smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001205971104 1125467607 /nfs/dbraw/zinc/46/76/07/1125467607.db2.gz RYLPBEHDSANSHK-GOSISDBHSA-N 1 1 286.419 3.585 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000129129390 1125471570 /nfs/dbraw/zinc/47/15/70/1125471570.db2.gz PCEORYFSVZMHIQ-KGLIPLIRSA-N 1 1 265.422 3.521 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208853495 1117939842 /nfs/dbraw/zinc/93/98/42/1117939842.db2.gz OCVVTLGVMXORQK-QGZVFWFLSA-N 1 1 256.393 3.755 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)cc1OC ZINC000536594603 1125481572 /nfs/dbraw/zinc/48/15/72/1125481572.db2.gz BIBKIFVJLHQHSY-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001209432601 1118054972 /nfs/dbraw/zinc/05/49/72/1118054972.db2.gz HLUITLAXHAEBNS-HNNXBMFYSA-N 1 1 281.440 3.929 20 30 CHEDMO C=CCCCCCCC[NH+]1CC(N2CCCCC2)C1 ZINC001209442857 1118060433 /nfs/dbraw/zinc/06/04/33/1118060433.db2.gz XSAVTIVFKXTURL-UHFFFAOYSA-N 1 1 264.457 3.683 20 30 CHEDMO CC(C)[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000077272484 1119191454 /nfs/dbraw/zinc/19/14/54/1119191454.db2.gz HXJXSTPNXRYQPR-UHFFFAOYSA-N 1 1 270.298 3.721 20 30 CHEDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599727 1119230638 /nfs/dbraw/zinc/23/06/38/1119230638.db2.gz OHOZCUYSAVPCFA-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO CC(C)C[N@H+](Cc1ccccc1F)CC1(C#N)CC1 ZINC000343323642 1119386082 /nfs/dbraw/zinc/38/60/82/1119386082.db2.gz UXWXQAINBXIGMV-UHFFFAOYSA-N 1 1 260.356 3.587 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1F)CC1(C#N)CC1 ZINC000343323642 1119386084 /nfs/dbraw/zinc/38/60/84/1119386084.db2.gz UXWXQAINBXIGMV-UHFFFAOYSA-N 1 1 260.356 3.587 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000613460465 1119930019 /nfs/dbraw/zinc/93/00/19/1119930019.db2.gz JTOJRAGNEYIXNR-UHFFFAOYSA-N 1 1 255.283 3.856 20 30 CHEDMO CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCC#N ZINC000133000255 1125506893 /nfs/dbraw/zinc/50/68/93/1125506893.db2.gz TYCBQFISDXGDGA-CYBMUJFWSA-N 1 1 281.197 3.746 20 30 CHEDMO CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCC#N ZINC000133000255 1125506901 /nfs/dbraw/zinc/50/69/01/1125506901.db2.gz TYCBQFISDXGDGA-CYBMUJFWSA-N 1 1 281.197 3.746 20 30 CHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093558701 1120822597 /nfs/dbraw/zinc/82/25/97/1120822597.db2.gz VFYMYJFNUSRJDG-KBPBESRZSA-N 1 1 292.448 3.551 20 30 CHEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC000487375914 1120869737 /nfs/dbraw/zinc/86/97/37/1120869737.db2.gz ZSSGIKAJPUIEDN-UHFFFAOYSA-N 1 1 258.409 3.966 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708719209 1121466403 /nfs/dbraw/zinc/46/64/03/1121466403.db2.gz KNUIBIOQCXQQNE-CQSZACIVSA-N 1 1 282.309 3.641 20 30 CHEDMO C=C(C)CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000509328072 1121531889 /nfs/dbraw/zinc/53/18/89/1121531889.db2.gz OPIWNFVLAVZICR-KRWDZBQOSA-N 1 1 259.393 3.634 20 30 CHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001176798568 1121697394 /nfs/dbraw/zinc/69/73/94/1121697394.db2.gz SSNYWNMSLTZQSI-UHFFFAOYSA-N 1 1 298.789 3.706 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(CO)cc1 ZINC001203187753 1121946490 /nfs/dbraw/zinc/94/64/90/1121946490.db2.gz IOMJKKYJSZLTFY-UHFFFAOYSA-N 1 1 263.425 3.971 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2C)C1 ZINC001195558442 1122876870 /nfs/dbraw/zinc/87/68/70/1122876870.db2.gz OHBNMJBNKODDON-CYBMUJFWSA-N 1 1 292.220 3.603 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC001195946067 1122899278 /nfs/dbraw/zinc/89/92/78/1122899278.db2.gz GALHWQJRNDTKNA-RDJZCZTQSA-N 1 1 259.393 3.662 20 30 CHEDMO C=CC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@H](C)COC ZINC001196047709 1122904295 /nfs/dbraw/zinc/90/42/95/1122904295.db2.gz CDLXUXAWYPFOPS-TWMKSMIVSA-N 1 1 267.457 3.972 20 30 CHEDMO C=CCCC[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427000976 1122933242 /nfs/dbraw/zinc/93/32/42/1122933242.db2.gz QPMZJAOUGRNYET-UHFFFAOYSA-N 1 1 281.321 3.955 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000441160958 1123063074 /nfs/dbraw/zinc/06/30/74/1123063074.db2.gz ACKRGKGQOORUQQ-ZDUSSCGKSA-N 1 1 273.807 3.954 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001201852669 1123151909 /nfs/dbraw/zinc/15/19/09/1123151909.db2.gz GYAYVMHHWORKDC-CALCHBBNSA-N 1 1 266.473 3.621 20 30 CHEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001201852669 1123151911 /nfs/dbraw/zinc/15/19/11/1123151911.db2.gz GYAYVMHHWORKDC-CALCHBBNSA-N 1 1 266.473 3.621 20 30 CHEDMO CCCCCCC[N@@H+](CCO)Cc1cccs1 ZINC001201788081 1123152138 /nfs/dbraw/zinc/15/21/38/1123152138.db2.gz WNMZQQYMSWEEAR-UHFFFAOYSA-N 1 1 255.427 3.513 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001201839689 1123154734 /nfs/dbraw/zinc/15/47/34/1123154734.db2.gz PRNZSFJXVQEBCF-CVEARBPZSA-N 1 1 253.430 3.705 20 30 CHEDMO CCCCCCCCCC[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001201875291 1123156597 /nfs/dbraw/zinc/15/65/97/1123156597.db2.gz UIQOMPGYTJLPNH-DLBZAZTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCC1(F)F ZINC001252141194 1123229318 /nfs/dbraw/zinc/22/93/18/1123229318.db2.gz XDOOQOPYRUGZQG-ZIAGYGMSSA-N 1 1 277.399 3.875 20 30 CHEDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C[C@H](C)C#N ZINC000191054590 1123358450 /nfs/dbraw/zinc/35/84/50/1123358450.db2.gz KQWPLQPMAHWQBQ-LLVKDONJSA-N 1 1 284.325 3.995 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CCCC23CCC3)cc1 ZINC000444782297 1124060740 /nfs/dbraw/zinc/06/07/40/1124060740.db2.gz INSMRSSBABKMFB-UHFFFAOYSA-N 1 1 259.780 3.710 20 30 CHEDMO C#CCCCCCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000877674027 1125062840 /nfs/dbraw/zinc/06/28/40/1125062840.db2.gz LJXVMOCGOALOBA-UHFFFAOYSA-N 1 1 276.468 3.520 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(CCCC)s2)C1 ZINC001138757418 1131547108 /nfs/dbraw/zinc/54/71/08/1131547108.db2.gz WMWJEOAWCLWPHG-AWEZNQCLSA-N 1 1 261.434 3.936 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCC)c(CC)c1 ZINC001139623588 1131624530 /nfs/dbraw/zinc/62/45/30/1131624530.db2.gz JMCTXHKGZPDWMM-UHFFFAOYSA-N 1 1 274.408 3.773 20 30 CHEDMO C[N@H+](Cc1cccc(Cl)c1C#N)C[C@@H]1CC1(C)C ZINC001139691896 1131628968 /nfs/dbraw/zinc/62/89/68/1131628968.db2.gz IVSVRQCPSZNLGM-LBPRGKRZSA-N 1 1 262.784 3.690 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144463456 1131640630 /nfs/dbraw/zinc/64/06/30/1131640630.db2.gz QWOBDBOPDNSTNM-UHFFFAOYSA-N 1 1 268.376 3.632 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC001140432591 1131735347 /nfs/dbraw/zinc/73/53/47/1131735347.db2.gz OKMDKWWMUIHWLZ-UHFFFAOYSA-N 1 1 277.799 3.776 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000846984131 1131767964 /nfs/dbraw/zinc/76/79/64/1131767964.db2.gz XIFHGRSTQWQSRV-GFCCVEGCSA-N 1 1 273.767 3.670 20 30 CHEDMO CC[C@H](CC(C)C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172395390 1132218678 /nfs/dbraw/zinc/21/86/78/1132218678.db2.gz GBFKSTXXXUCUNA-QGZVFWFLSA-N 1 1 256.393 3.741 20 30 CHEDMO C=CC[C@@](C)([NH2+]C1CCC2(CCCC2)CC1)C(=O)OC ZINC001172729397 1132303506 /nfs/dbraw/zinc/30/35/06/1132303506.db2.gz WKLCVRJEENAMDL-MRXNPFEDSA-N 1 1 279.424 3.587 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172859216 1132343261 /nfs/dbraw/zinc/34/32/61/1132343261.db2.gz YSDXKVSXMVUXIG-STQMWFEESA-N 1 1 279.786 3.755 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cccs2)c(C#N)c1 ZINC001232966476 1132553471 /nfs/dbraw/zinc/55/34/71/1132553471.db2.gz MZQYAFGRNMUOLM-UHFFFAOYSA-N 1 1 256.374 3.560 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cccs2)c(C#N)c1 ZINC001232966476 1132553472 /nfs/dbraw/zinc/55/34/72/1132553472.db2.gz MZQYAFGRNMUOLM-UHFFFAOYSA-N 1 1 256.374 3.560 20 30 CHEDMO CCCCCCCCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001151253745 1132566742 /nfs/dbraw/zinc/56/67/42/1132566742.db2.gz YZXRUBAOAYVXPV-HZPDHXFCSA-N 1 1 282.472 3.678 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001233080483 1132569603 /nfs/dbraw/zinc/56/96/03/1132569603.db2.gz NCNPIPWGGRFELE-UHFFFAOYSA-N 1 1 278.346 3.734 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001208124546 1133881573 /nfs/dbraw/zinc/88/15/73/1133881573.db2.gz RXKQIJQWTWUQOE-GUFYHEMZSA-N 1 1 251.414 3.766 20 30 CHEDMO CC[N@@H+](CCC#N)CC[C@H](C)CCCC(C)(C)OC ZINC001208206891 1133907029 /nfs/dbraw/zinc/90/70/29/1133907029.db2.gz UPUYEUGDQZNRCY-OAHLLOKOSA-N 1 1 268.445 3.843 20 30 CHEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001209440357 1134019925 /nfs/dbraw/zinc/01/99/25/1134019925.db2.gz INNBCFQHPAMVLM-AWEZNQCLSA-N 1 1 273.367 3.623 20 30 CHEDMO C=CCCCCCCC[NH+]1CCN(CC(C)C)CC1 ZINC001209441799 1134021988 /nfs/dbraw/zinc/02/19/88/1134021988.db2.gz MPHCRZBXUDSXDR-UHFFFAOYSA-N 1 1 266.473 3.787 20 30 CHEDMO CCCCCCC[C@@H](CCC)OCC[NH+]1CCN(C)CC1 ZINC001224549698 1135459904 /nfs/dbraw/zinc/45/99/04/1135459904.db2.gz ONLWAGYLGYPNRK-GOSISDBHSA-N 1 1 298.515 3.780 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(-c2ccccc2)no1 ZINC000051766637 1125512200 /nfs/dbraw/zinc/51/22/00/1125512200.db2.gz JDINFFLJWHAXLQ-UHFFFAOYSA-N 1 1 254.333 3.516 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134028272 1125520788 /nfs/dbraw/zinc/52/07/88/1125520788.db2.gz KDOAAGUEWYFVFD-GJZGRUSLSA-N 1 1 296.455 3.578 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000121493925 1125561382 /nfs/dbraw/zinc/56/13/82/1125561382.db2.gz LBIAKXHDDZBPDI-CYBMUJFWSA-N 1 1 296.370 3.885 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000121493925 1125561388 /nfs/dbraw/zinc/56/13/88/1125561388.db2.gz LBIAKXHDDZBPDI-CYBMUJFWSA-N 1 1 296.370 3.885 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000245411580 1125571779 /nfs/dbraw/zinc/57/17/79/1125571779.db2.gz XMYIIVURMDFHSV-WBVHZDCISA-N 1 1 286.419 3.778 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000245688175 1125586715 /nfs/dbraw/zinc/58/67/15/1125586715.db2.gz AYARQDHPUXFRTM-HZPDHXFCSA-N 1 1 286.419 3.847 20 30 CHEDMO C=CC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245726945 1125592281 /nfs/dbraw/zinc/59/22/81/1125592281.db2.gz PQLUOSOQHOMLRS-OQIJWPOYSA-N 1 1 284.447 3.736 20 30 CHEDMO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@H](c2ccsc2)O1 ZINC000245771597 1125594374 /nfs/dbraw/zinc/59/43/74/1125594374.db2.gz RXSYHZJBUSTCGH-HIFRSBDPSA-N 1 1 292.448 3.840 20 30 CHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@H](c2ccsc2)O1 ZINC000245771597 1125594383 /nfs/dbraw/zinc/59/43/83/1125594383.db2.gz RXSYHZJBUSTCGH-HIFRSBDPSA-N 1 1 292.448 3.840 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc2cc(C)ccc2n1 ZINC001137216978 1125599692 /nfs/dbraw/zinc/59/96/92/1125599692.db2.gz DXQOVICRPWLLEL-UHFFFAOYSA-N 1 1 254.377 3.941 20 30 CHEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1N[C@H](C)C#N ZINC000246140183 1125606294 /nfs/dbraw/zinc/60/62/94/1125606294.db2.gz XDDKHRJVBMXJPL-ZIAGYGMSSA-N 1 1 257.381 3.698 20 30 CHEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1N[C@H](C)C#N ZINC000246140183 1125606296 /nfs/dbraw/zinc/60/62/96/1125606296.db2.gz XDDKHRJVBMXJPL-ZIAGYGMSSA-N 1 1 257.381 3.698 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066897673 1125624868 /nfs/dbraw/zinc/62/48/68/1125624868.db2.gz XXXSMZDVUHMTGY-KRWDZBQOSA-N 1 1 256.393 3.950 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000069084399 1125629724 /nfs/dbraw/zinc/62/97/24/1125629724.db2.gz YLSXACPOQUYGMG-HNNXBMFYSA-N 1 1 258.365 3.526 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886251456 1125663733 /nfs/dbraw/zinc/66/37/33/1125663733.db2.gz CTOUJWKXJUQKFF-FSPWUOQZSA-N 1 1 284.403 3.509 20 30 CHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358360 1125672777 /nfs/dbraw/zinc/67/27/77/1125672777.db2.gz TYCVIIQRPDYOQT-GJZGRUSLSA-N 1 1 280.371 3.748 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000886367014 1125674586 /nfs/dbraw/zinc/67/45/86/1125674586.db2.gz GDANGEXWXMWMHG-NEWSRXKRSA-N 1 1 283.415 3.642 20 30 CHEDMO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000615002322 1125705524 /nfs/dbraw/zinc/70/55/24/1125705524.db2.gz NIDXTWGHBPKFOW-OAHLLOKOSA-N 1 1 297.402 3.616 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192052649 1125737141 /nfs/dbraw/zinc/73/71/41/1125737141.db2.gz ADWBQOCTFMGCKV-SFHVURJKSA-N 1 1 297.377 3.763 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192052649 1125737148 /nfs/dbraw/zinc/73/71/48/1125737148.db2.gz ADWBQOCTFMGCKV-SFHVURJKSA-N 1 1 297.377 3.763 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccc(O)c1 ZINC000192058813 1125741065 /nfs/dbraw/zinc/74/10/65/1125741065.db2.gz GAFAKLZWORARMG-CYBMUJFWSA-N 1 1 298.361 3.986 20 30 CHEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC000404250629 1125753077 /nfs/dbraw/zinc/75/30/77/1125753077.db2.gz KGCSPCXYTSGPQZ-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000093688273 1125772909 /nfs/dbraw/zinc/77/29/09/1125772909.db2.gz CDDVDZLAAXGJSK-KRWDZBQOSA-N 1 1 288.435 3.589 20 30 CHEDMO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H](c2ccsc2)O1 ZINC000093769164 1125773481 /nfs/dbraw/zinc/77/34/81/1125773481.db2.gz RXSYHZJBUSTCGH-UKRRQHHQSA-N 1 1 292.448 3.840 20 30 CHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](c2ccsc2)O1 ZINC000093769164 1125773488 /nfs/dbraw/zinc/77/34/88/1125773488.db2.gz RXSYHZJBUSTCGH-UKRRQHHQSA-N 1 1 292.448 3.840 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC000739914840 1129410027 /nfs/dbraw/zinc/41/00/27/1129410027.db2.gz PBIFCNYZSVXSGN-UHFFFAOYSA-N 1 1 274.408 3.845 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000740875962 1129421642 /nfs/dbraw/zinc/42/16/42/1129421642.db2.gz JVLUOHASAUOVGV-OAHLLOKOSA-N 1 1 298.471 3.803 20 30 CHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832383919 1129441728 /nfs/dbraw/zinc/44/17/28/1129441728.db2.gz HGMCVPGIVYHJEJ-LBPRGKRZSA-N 1 1 282.453 3.547 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832383919 1129441729 /nfs/dbraw/zinc/44/17/29/1129441729.db2.gz HGMCVPGIVYHJEJ-LBPRGKRZSA-N 1 1 282.453 3.547 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001238703813 1131234657 /nfs/dbraw/zinc/23/46/57/1131234657.db2.gz XQFNVRLQPVWLMV-UHFFFAOYSA-N 1 1 290.382 3.739 20 30 CHEDMO C=CCC[N@H+](C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001169353791 1129723474 /nfs/dbraw/zinc/72/34/74/1129723474.db2.gz QHOUWFOLOYKKRS-OAHLLOKOSA-N 1 1 296.455 3.532 20 30 CHEDMO CC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001169496581 1129730771 /nfs/dbraw/zinc/73/07/71/1129730771.db2.gz UENIMKVXVUJRMW-UKRRQHHQSA-N 1 1 261.796 3.812 20 30 CHEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801919367 1129959459 /nfs/dbraw/zinc/95/94/59/1129959459.db2.gz FBOODZXEINHCSN-DOTOQJQBSA-N 1 1 274.408 3.553 20 30 CHEDMO COc1c(C)cc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903102367 1130112592 /nfs/dbraw/zinc/11/25/92/1130112592.db2.gz XCOVUQUYMLJPAX-LLVKDONJSA-N 1 1 280.799 3.857 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CCC(C)C ZINC000481746326 1126710843 /nfs/dbraw/zinc/71/08/43/1126710843.db2.gz PYTSTAKPYTXSMQ-SFHVURJKSA-N 1 1 288.435 3.567 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000899993945 1126720941 /nfs/dbraw/zinc/72/09/41/1126720941.db2.gz RQZZKFSLUADSAC-LBPRGKRZSA-N 1 1 277.755 3.746 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC000899990698 1126721388 /nfs/dbraw/zinc/72/13/88/1126721388.db2.gz UDXAXJAPDABOPM-CQSZACIVSA-N 1 1 288.395 3.882 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(F)c2)no1 ZINC000899994490 1126721854 /nfs/dbraw/zinc/72/18/54/1126721854.db2.gz DNUBLOSOADZFOD-CYBMUJFWSA-N 1 1 275.327 3.540 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000338347441 1126736777 /nfs/dbraw/zinc/73/67/77/1126736777.db2.gz JAVPLQLFNZCHIH-LLVKDONJSA-N 1 1 293.208 3.573 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000338347441 1126736780 /nfs/dbraw/zinc/73/67/80/1126736780.db2.gz JAVPLQLFNZCHIH-LLVKDONJSA-N 1 1 293.208 3.573 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)n1 ZINC000159839478 1126754508 /nfs/dbraw/zinc/75/45/08/1126754508.db2.gz DNHITQWHIMIMED-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)n1 ZINC000159839478 1126754509 /nfs/dbraw/zinc/75/45/09/1126754509.db2.gz DNHITQWHIMIMED-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000174416324 1126769707 /nfs/dbraw/zinc/76/97/07/1126769707.db2.gz DSWALQCFECLUMQ-OAHLLOKOSA-N 1 1 276.286 3.670 20 30 CHEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000483129380 1126769155 /nfs/dbraw/zinc/76/91/55/1126769155.db2.gz SFNQXHAETPFOTG-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO Cn1cc(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)cc1C#N ZINC000483173069 1126771251 /nfs/dbraw/zinc/77/12/51/1126771251.db2.gz MUACICSURPZKTR-UHFFFAOYSA-N 1 1 287.451 3.933 20 30 CHEDMO CC[N@@H+](CC1(OC)CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000483170727 1126771538 /nfs/dbraw/zinc/77/15/38/1126771538.db2.gz UAAYJSZMSGJXHA-HNNXBMFYSA-N 1 1 286.419 3.900 20 30 CHEDMO COc1ccc([C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000174838834 1126773320 /nfs/dbraw/zinc/77/33/20/1126773320.db2.gz OQVXTQLJKZHMTG-MRXNPFEDSA-N 1 1 286.419 3.814 20 30 CHEDMO Cc1cccc(OCC[N@@H+](C)CCCC(C)(C)C#N)c1 ZINC000174812528 1126773564 /nfs/dbraw/zinc/77/35/64/1126773564.db2.gz SYWIDLRJOGHJSL-UHFFFAOYSA-N 1 1 274.408 3.636 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCc2ccccc2C1 ZINC000174863024 1126774489 /nfs/dbraw/zinc/77/44/89/1126774489.db2.gz XSVBXYVJLINMQJ-KRWDZBQOSA-N 1 1 270.420 3.806 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(OC)CCCC1 ZINC000483289987 1126779141 /nfs/dbraw/zinc/77/91/41/1126779141.db2.gz OYCQUIPLMGRLOH-UHFFFAOYSA-N 1 1 289.419 3.642 20 30 CHEDMO C(#Cc1ccccc1)C[N@@H+](CC1CC1)CC1CCC1 ZINC000483270612 1126776939 /nfs/dbraw/zinc/77/69/39/1126776939.db2.gz LHBBLNLIUUMFLT-UHFFFAOYSA-N 1 1 253.389 3.550 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc2c(s1)CCCC2 ZINC000175541918 1126783483 /nfs/dbraw/zinc/78/34/83/1126783483.db2.gz FZNQHTDGEOXOKW-UHFFFAOYSA-N 1 1 291.464 3.784 20 30 CHEDMO CC1=C(C)C[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC000483366041 1126783881 /nfs/dbraw/zinc/78/38/81/1126783881.db2.gz HXDMIYIALLAUET-UHFFFAOYSA-N 1 1 259.780 3.734 20 30 CHEDMO CC1=C(C)C[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000483366041 1126783886 /nfs/dbraw/zinc/78/38/86/1126783886.db2.gz HXDMIYIALLAUET-UHFFFAOYSA-N 1 1 259.780 3.734 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cn2c(n1)CCCC2 ZINC000924785346 1126781451 /nfs/dbraw/zinc/78/14/51/1126781451.db2.gz MLQYNTQLBADWCT-UONOGXRCSA-N 1 1 294.402 3.503 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162585897 1126781887 /nfs/dbraw/zinc/78/18/87/1126781887.db2.gz QWDCNODWKQFCKH-JTQLQIEISA-N 1 1 274.261 3.626 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000194638754 1126796344 /nfs/dbraw/zinc/79/63/44/1126796344.db2.gz UZPSAJJWVOOPAS-JTQLQIEISA-N 1 1 271.191 3.770 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000194638754 1126796348 /nfs/dbraw/zinc/79/63/48/1126796348.db2.gz UZPSAJJWVOOPAS-JTQLQIEISA-N 1 1 271.191 3.770 20 30 CHEDMO C[N@H+](CC#Cc1ccccc1)Cc1cc2ccccc2o1 ZINC000483946811 1126806916 /nfs/dbraw/zinc/80/69/16/1126806916.db2.gz GCTDYYSLYALYBH-UHFFFAOYSA-N 1 1 275.351 3.916 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cc2ccccc2o1 ZINC000483946811 1126806918 /nfs/dbraw/zinc/80/69/18/1126806918.db2.gz GCTDYYSLYALYBH-UHFFFAOYSA-N 1 1 275.351 3.916 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCSCC#N ZINC000177545292 1126802110 /nfs/dbraw/zinc/80/21/10/1126802110.db2.gz MEGILSCARAJWOB-GDBMZVCRSA-N 1 1 274.433 3.511 20 30 CHEDMO CC[C@H](CC#N)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001255175644 1130551127 /nfs/dbraw/zinc/55/11/27/1130551127.db2.gz SKANNOGKVOGQQM-UKRRQHHQSA-N 1 1 262.784 3.822 20 30 CHEDMO CC[C@H](CC#N)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001255175644 1130551130 /nfs/dbraw/zinc/55/11/30/1130551130.db2.gz SKANNOGKVOGQQM-UKRRQHHQSA-N 1 1 262.784 3.822 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000793526335 1130564888 /nfs/dbraw/zinc/56/48/88/1130564888.db2.gz QPQLMGWVZLHMEY-HZPDHXFCSA-N 1 1 264.457 3.585 20 30 CHEDMO C=CC[N@@H+](Cc1nc(CCCC)no1)CC1CCCCC1 ZINC000484693711 1126840495 /nfs/dbraw/zinc/84/04/95/1126840495.db2.gz HYZYPHIAOUFPQO-UHFFFAOYSA-N 1 1 291.439 3.981 20 30 CHEDMO C=CC[N@H+](Cc1nc(CCCC)no1)CC1CCCCC1 ZINC000484693711 1126840501 /nfs/dbraw/zinc/84/05/01/1126840501.db2.gz HYZYPHIAOUFPQO-UHFFFAOYSA-N 1 1 291.439 3.981 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)s1 ZINC000180537673 1126845893 /nfs/dbraw/zinc/84/58/93/1126845893.db2.gz NEYPOBVYUMYYLL-UHFFFAOYSA-N 1 1 288.338 3.784 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccc(OC)cc1 ZINC000484923517 1126856560 /nfs/dbraw/zinc/85/65/60/1126856560.db2.gz UPAWWUBOJRFOLG-UHFFFAOYSA-N 1 1 288.435 3.890 20 30 CHEDMO COc1cccc(CCC[N@@H+](CCC#N)CCC(C)C)c1 ZINC000484901554 1126854634 /nfs/dbraw/zinc/85/46/34/1126854634.db2.gz TXVVMPYLPJSQFB-UHFFFAOYSA-N 1 1 288.435 3.890 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc3C2)no1 ZINC000904613991 1126862622 /nfs/dbraw/zinc/86/26/22/1126862622.db2.gz BYUQZSDUGDRRNP-JKSUJKDBSA-N 1 1 297.402 3.698 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000183718118 1126890678 /nfs/dbraw/zinc/89/06/78/1126890678.db2.gz UTUNPVBZDBLQDP-MRXNPFEDSA-N 1 1 294.398 3.677 20 30 CHEDMO C[C@@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000185852054 1126903796 /nfs/dbraw/zinc/90/37/96/1126903796.db2.gz GDZNIBWUCBHKQW-YTQUADARSA-N 1 1 299.462 3.569 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000668494344 1126917832 /nfs/dbraw/zinc/91/78/32/1126917832.db2.gz XUAOZGIPIIQTEG-CQSZACIVSA-N 1 1 299.443 3.993 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000189347792 1126931260 /nfs/dbraw/zinc/93/12/60/1126931260.db2.gz ALXFJZGUWKIEJU-FZMZJTMJSA-N 1 1 282.309 3.894 20 30 CHEDMO CCc1[nH+]c(C=NOC2CCCCC2)c2ccccn21 ZINC000777457203 1126938280 /nfs/dbraw/zinc/93/82/80/1126938280.db2.gz OMWAQGPLMJHMSF-UHFFFAOYSA-N 1 1 271.364 3.580 20 30 CHEDMO Cc1cc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1C#N ZINC000486687728 1126995874 /nfs/dbraw/zinc/99/58/74/1126995874.db2.gz LBHNQEGRNXQDBB-GIOYIUAESA-N 1 1 280.415 3.877 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCOc2ccccc2F)ccc1C#N ZINC000486811785 1127004021 /nfs/dbraw/zinc/00/40/21/1127004021.db2.gz MVFMNUQUKYHZCE-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000043643049 1127005583 /nfs/dbraw/zinc/00/55/83/1127005583.db2.gz XYTVDFJAUKLOKY-UHFFFAOYSA-N 1 1 262.356 3.723 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000042278381 1127035363 /nfs/dbraw/zinc/03/53/63/1127035363.db2.gz HAHVOHANRDMAHQ-ZDUSSCGKSA-N 1 1 298.411 3.618 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C#N)c1 ZINC000042211282 1127033081 /nfs/dbraw/zinc/03/30/81/1127033081.db2.gz SVVXJTWMWJUTQN-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO CC1CCC([N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000042316481 1127037734 /nfs/dbraw/zinc/03/77/34/1127037734.db2.gz XFHWBNPKXXDEST-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO CC1=CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000270127549 1127050550 /nfs/dbraw/zinc/05/05/50/1127050550.db2.gz GNMLZZYUDUCTBH-UHFFFAOYSA-N 1 1 254.377 3.640 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C2CC2)no1 ZINC000659856570 1127055210 /nfs/dbraw/zinc/05/52/10/1127055210.db2.gz FCPBQGMKWHDZGH-UHFFFAOYSA-N 1 1 282.387 3.783 20 30 CHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000488211128 1127063163 /nfs/dbraw/zinc/06/31/63/1127063163.db2.gz FDSBMULVTBJPAR-ROUUACIJSA-N 1 1 298.430 3.646 20 30 CHEDMO CC[N@@H+](CCc1csc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000271301811 1127075048 /nfs/dbraw/zinc/07/50/48/1127075048.db2.gz OURQOPADJDYFQQ-CYBMUJFWSA-N 1 1 299.443 3.949 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000349276894 1127145436 /nfs/dbraw/zinc/14/54/36/1127145436.db2.gz KQDNODCBBJKHNU-UHFFFAOYSA-N 1 1 294.398 3.811 20 30 CHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000054993490 1127146935 /nfs/dbraw/zinc/14/69/35/1127146935.db2.gz VWKQJNGMISTSEI-IBGZPJMESA-N 1 1 292.382 3.774 20 30 CHEDMO C=CC[N@@H+](Cc1c(C)nsc1C)Cc1ccccc1 ZINC000571008863 1127154276 /nfs/dbraw/zinc/15/42/76/1127154276.db2.gz DAEFUNJJNYVVDR-UHFFFAOYSA-N 1 1 272.417 3.948 20 30 CHEDMO C=CC[N@H+](Cc1c(C)nsc1C)Cc1ccccc1 ZINC000571008863 1127154278 /nfs/dbraw/zinc/15/42/78/1127154278.db2.gz DAEFUNJJNYVVDR-UHFFFAOYSA-N 1 1 272.417 3.948 20 30 CHEDMO CCc1cccc(C)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001237327759 1131084565 /nfs/dbraw/zinc/08/45/65/1131084565.db2.gz SYIDOGADYMSLNR-HNNXBMFYSA-N 1 1 256.393 3.683 20 30 CHEDMO CCCCCCC[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168378977 1127161874 /nfs/dbraw/zinc/16/18/74/1127161874.db2.gz APMKMEGACJWQIB-UHFFFAOYSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[N@H+](C)C1CCN(CC2CC2)CC1 ZINC001168378977 1127161878 /nfs/dbraw/zinc/16/18/78/1127161878.db2.gz APMKMEGACJWQIB-UHFFFAOYSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[N@@H+](C)C1CCN(CC2CC2)CC1 ZINC001168378977 1127161883 /nfs/dbraw/zinc/16/18/83/1127161883.db2.gz APMKMEGACJWQIB-UHFFFAOYSA-N 1 1 266.473 3.763 20 30 CHEDMO C=CCO[C@H]1CC[N@@H+](Cc2csc(CCC(C)C)n2)C1 ZINC001320898796 1127167968 /nfs/dbraw/zinc/16/79/68/1127167968.db2.gz NJHDEEXUIIXZFW-HNNXBMFYSA-N 1 1 294.464 3.509 20 30 CHEDMO C=CCO[C@H]1CC[N@H+](Cc2csc(CCC(C)C)n2)C1 ZINC001320898796 1127167971 /nfs/dbraw/zinc/16/79/71/1127167971.db2.gz NJHDEEXUIIXZFW-HNNXBMFYSA-N 1 1 294.464 3.509 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(F)cc1F ZINC001237529480 1131111226 /nfs/dbraw/zinc/11/12/26/1131111226.db2.gz GAOSXDYKRSSWGN-OLZOCXBDSA-N 1 1 290.357 3.849 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237526929 1131111345 /nfs/dbraw/zinc/11/13/45/1131111345.db2.gz SISXDLQNLOKXQX-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1ccccc1C[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237526929 1131111348 /nfs/dbraw/zinc/11/13/48/1131111348.db2.gz SISXDLQNLOKXQX-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1sccc1C[N@@H+](CCC#N)CCC(C)C ZINC000351403331 1127187733 /nfs/dbraw/zinc/18/77/33/1127187733.db2.gz ZAPZBWVUNRCYHJ-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO Cc1sccc1C[N@H+](CCC#N)CCC(C)C ZINC000351403331 1127187735 /nfs/dbraw/zinc/18/77/35/1127187735.db2.gz ZAPZBWVUNRCYHJ-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO CC[N@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC000351521088 1127191477 /nfs/dbraw/zinc/19/14/77/1127191477.db2.gz TVYFWOUOUQOTDR-UHFFFAOYSA-N 1 1 275.783 3.530 20 30 CHEDMO CC[N@@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC000351521088 1127191478 /nfs/dbraw/zinc/19/14/78/1127191478.db2.gz TVYFWOUOUQOTDR-UHFFFAOYSA-N 1 1 275.783 3.530 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000351614609 1127198200 /nfs/dbraw/zinc/19/82/00/1127198200.db2.gz HZRDSUFPYRAEEW-QRTARXTBSA-N 1 1 289.419 3.695 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000351614608 1127198654 /nfs/dbraw/zinc/19/86/54/1127198654.db2.gz HZRDSUFPYRAEEW-KMFMINBZSA-N 1 1 289.419 3.695 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC23CCCC3)c1 ZINC001237745160 1131138227 /nfs/dbraw/zinc/13/82/27/1131138227.db2.gz CMHJDARCPRCLDS-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCCC1 ZINC001237754381 1131139450 /nfs/dbraw/zinc/13/94/50/1131139450.db2.gz UUJUBABDJLNKNH-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)C#N ZINC000589174662 1127213872 /nfs/dbraw/zinc/21/38/72/1127213872.db2.gz IIPDSYZDXDNTPP-DSDFTUOUSA-N 1 1 282.309 3.858 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000589205748 1127216296 /nfs/dbraw/zinc/21/62/96/1127216296.db2.gz IBJJGDILOMZJCX-HNNXBMFYSA-N 1 1 271.389 3.598 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000165506169 1127234431 /nfs/dbraw/zinc/23/44/31/1127234431.db2.gz MAMHKGMRUBZOKL-MRXNPFEDSA-N 1 1 256.393 3.735 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001275110593 1127235197 /nfs/dbraw/zinc/23/51/97/1127235197.db2.gz AZAMOQXRTCHWJQ-FUHWJXTLSA-N 1 1 294.483 3.680 20 30 CHEDMO CCCC[C@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000352421065 1127231407 /nfs/dbraw/zinc/23/14/07/1127231407.db2.gz AHYQMYFYFXWFLK-HNNXBMFYSA-N 1 1 266.429 3.597 20 30 CHEDMO C=CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001116573406 1131155518 /nfs/dbraw/zinc/15/55/18/1131155518.db2.gz HPMHYJHRIZRUKS-LLVKDONJSA-N 1 1 286.202 3.770 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001116573406 1131155521 /nfs/dbraw/zinc/15/55/21/1131155521.db2.gz HPMHYJHRIZRUKS-LLVKDONJSA-N 1 1 286.202 3.770 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000285777314 1127243034 /nfs/dbraw/zinc/24/30/34/1127243034.db2.gz SJTPJDBGXGWLDX-QWRGUYRKSA-N 1 1 287.313 3.643 20 30 CHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000589990459 1127243276 /nfs/dbraw/zinc/24/32/76/1127243276.db2.gz FOSIQMGGHFCMBV-ZDUSSCGKSA-N 1 1 298.361 3.947 20 30 CHEDMO C=C(C)C[N@H+](CCSC(C)C)Cc1cnn(C(C)C)c1 ZINC000352901884 1127249648 /nfs/dbraw/zinc/24/96/48/1127249648.db2.gz LQFAZLMWGXTCJR-UHFFFAOYSA-N 1 1 295.496 3.984 20 30 CHEDMO C=CCCCCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096022 1127256096 /nfs/dbraw/zinc/25/60/96/1127256096.db2.gz APJVQUFAMKQMCK-OAHLLOKOSA-N 1 1 251.414 3.624 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600878 1127264221 /nfs/dbraw/zinc/26/42/21/1127264221.db2.gz OJKLLSWTCSVPLZ-CRAIPNDOSA-N 1 1 291.398 3.894 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600834 1127264239 /nfs/dbraw/zinc/26/42/39/1127264239.db2.gz NQLJPAVHMOUUDZ-CRAIPNDOSA-N 1 1 291.398 3.894 20 30 CHEDMO COc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)ccc1C#N ZINC000353223301 1127265030 /nfs/dbraw/zinc/26/50/30/1127265030.db2.gz SPVKZOGPNFXJHE-WBMJQRKESA-N 1 1 296.370 3.573 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000590715570 1127268859 /nfs/dbraw/zinc/26/88/59/1127268859.db2.gz PRARLLPYTDMNSL-HNNXBMFYSA-N 1 1 262.784 3.508 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000590715570 1127268860 /nfs/dbraw/zinc/26/88/60/1127268860.db2.gz PRARLLPYTDMNSL-HNNXBMFYSA-N 1 1 262.784 3.508 20 30 CHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C1CCCCCC1 ZINC000590829196 1127275820 /nfs/dbraw/zinc/27/58/20/1127275820.db2.gz IJCASYPJARVSCD-UHFFFAOYSA-N 1 1 281.403 3.966 20 30 CHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000590971074 1127279759 /nfs/dbraw/zinc/27/97/59/1127279759.db2.gz IHLDUYFMCYFFTK-OALUTQOASA-N 1 1 291.398 3.721 20 30 CHEDMO C[N@H+](Cc1cccc(-c2ccncc2)c1)CC(C)(C)C#N ZINC000354016781 1127285629 /nfs/dbraw/zinc/28/56/29/1127285629.db2.gz CREOEUJKJIJKJN-UHFFFAOYSA-N 1 1 279.387 3.730 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000591041760 1127283894 /nfs/dbraw/zinc/28/38/94/1127283894.db2.gz JANBSRIOGRKUAW-UHFFFAOYSA-N 1 1 286.444 3.728 20 30 CHEDMO C[N@H+](Cc1cc(Cl)cc2cccnc21)CC(C)(C)C#N ZINC000354033811 1127287838 /nfs/dbraw/zinc/28/78/38/1127287838.db2.gz BCGOLINHVMESEV-UHFFFAOYSA-N 1 1 287.794 3.870 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)cc2cccnc21)CC(C)(C)C#N ZINC000354033811 1127287840 /nfs/dbraw/zinc/28/78/40/1127287840.db2.gz BCGOLINHVMESEV-UHFFFAOYSA-N 1 1 287.794 3.870 20 30 CHEDMO C[N@@H+](Cc1cccc(-c2ccncc2)c1)CC(C)(C)C#N ZINC000354016781 1127285630 /nfs/dbraw/zinc/28/56/30/1127285630.db2.gz CREOEUJKJIJKJN-UHFFFAOYSA-N 1 1 279.387 3.730 20 30 CHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000591377857 1127299912 /nfs/dbraw/zinc/29/99/12/1127299912.db2.gz NNNPYJLKKHWSLV-CVEARBPZSA-N 1 1 271.408 3.600 20 30 CHEDMO C#CCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000760856891 1127312494 /nfs/dbraw/zinc/31/24/94/1127312494.db2.gz SCLQQXDMZCNUCR-UHFFFAOYSA-N 1 1 263.331 3.733 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000355131575 1127319778 /nfs/dbraw/zinc/31/97/78/1127319778.db2.gz JAQYPOIVWLCERA-STQMWFEESA-N 1 1 260.356 3.565 20 30 CHEDMO CC(C)C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccs1 ZINC000592099120 1127326396 /nfs/dbraw/zinc/32/63/96/1127326396.db2.gz KGVRVWWDNJAEEQ-OAHLLOKOSA-N 1 1 285.416 3.892 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC000592054904 1127333483 /nfs/dbraw/zinc/33/34/83/1127333483.db2.gz GSGLNGVTFJDTOJ-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000592054904 1127333486 /nfs/dbraw/zinc/33/34/86/1127333486.db2.gz GSGLNGVTFJDTOJ-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)c1 ZINC000592099323 1127333809 /nfs/dbraw/zinc/33/38/09/1127333809.db2.gz FNQYRQFENDIHDB-KRWDZBQOSA-N 1 1 291.398 3.560 20 30 CHEDMO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000592124667 1127335807 /nfs/dbraw/zinc/33/58/07/1127335807.db2.gz IXDJRKKFNBPYJM-RBUKOAKNSA-N 1 1 291.398 3.721 20 30 CHEDMO Cc1ccccc1C1([NH2+]Cc2ccccc2C#N)CC1 ZINC000592139458 1127339151 /nfs/dbraw/zinc/33/91/51/1127339151.db2.gz HMAFVPSPZRFBSP-UHFFFAOYSA-N 1 1 262.356 3.646 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136382 1127339764 /nfs/dbraw/zinc/33/97/64/1127339764.db2.gz QDRVPXALTBCYOY-BEFAXECRSA-N 1 1 292.382 3.773 20 30 CHEDMO CC(C)Cn1nccc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000592365927 1127342758 /nfs/dbraw/zinc/34/27/58/1127342758.db2.gz JXVKXJNXYDOALH-SFHVURJKSA-N 1 1 296.418 3.674 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc2n(n1)CCCC2 ZINC000592387582 1127346351 /nfs/dbraw/zinc/34/63/51/1127346351.db2.gz ULKVQVOTONQDPJ-KBPBESRZSA-N 1 1 294.402 3.503 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592531944 1127353102 /nfs/dbraw/zinc/35/31/02/1127353102.db2.gz YIHPOUYBPDCFFF-OAHLLOKOSA-N 1 1 260.406 3.774 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)c2)CC12CC=CC2 ZINC000592527716 1127353506 /nfs/dbraw/zinc/35/35/06/1127353506.db2.gz NSTOXHZJJHSJCZ-QGZVFWFLSA-N 1 1 266.388 3.735 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccn1 ZINC000355678717 1127357806 /nfs/dbraw/zinc/35/78/06/1127357806.db2.gz HKYWSZKKLZCFIG-CQSZACIVSA-N 1 1 297.358 3.739 20 30 CHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccn1 ZINC000355678717 1127357810 /nfs/dbraw/zinc/35/78/10/1127357810.db2.gz HKYWSZKKLZCFIG-CQSZACIVSA-N 1 1 297.358 3.739 20 30 CHEDMO N#Cc1csc(C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000355723064 1127360569 /nfs/dbraw/zinc/36/05/69/1127360569.db2.gz BZBJPMXVFXCWJT-UHFFFAOYSA-N 1 1 260.406 3.632 20 30 CHEDMO CC[C@@H](OCC[N@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000593019306 1127365295 /nfs/dbraw/zinc/36/52/95/1127365295.db2.gz UKVOCOSXGZCDKV-CRAIPNDOSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[C@@H](OCC[N@@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000593019306 1127365300 /nfs/dbraw/zinc/36/53/00/1127365300.db2.gz UKVOCOSXGZCDKV-CRAIPNDOSA-N 1 1 286.419 3.778 20 30 CHEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C#N)nc2)cc1 ZINC000592986817 1127367042 /nfs/dbraw/zinc/36/70/42/1127367042.db2.gz QVASLWBQOHQMMD-AWEZNQCLSA-N 1 1 277.371 3.605 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCc2occc2C1 ZINC000288977321 1127368947 /nfs/dbraw/zinc/36/89/47/1127368947.db2.gz ZDXVJPMAMMVJOW-CYBMUJFWSA-N 1 1 266.344 3.661 20 30 CHEDMO C[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1CCC#N ZINC000593049907 1127369947 /nfs/dbraw/zinc/36/99/47/1127369947.db2.gz PZPUYXVFLJLYRJ-OAHLLOKOSA-N 1 1 262.784 3.651 20 30 CHEDMO C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCC#N ZINC000593049907 1127369949 /nfs/dbraw/zinc/36/99/49/1127369949.db2.gz PZPUYXVFLJLYRJ-OAHLLOKOSA-N 1 1 262.784 3.651 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C2(CCC2)CO1 ZINC000593092945 1127373617 /nfs/dbraw/zinc/37/36/17/1127373617.db2.gz PTBNZYPDFDVVRE-OAHLLOKOSA-N 1 1 298.430 3.631 20 30 CHEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000357525667 1127391036 /nfs/dbraw/zinc/39/10/36/1127391036.db2.gz FIXKRTPDRPEDQI-ZFWWWQNUSA-N 1 1 267.376 3.574 20 30 CHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000357525662 1127391682 /nfs/dbraw/zinc/39/16/82/1127391682.db2.gz FIXKRTPDRPEDQI-DZGCQCFKSA-N 1 1 267.376 3.574 20 30 CHEDMO N#CCCCC[C@@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000593941746 1127400013 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C=CCc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001233595865 1127997262 /nfs/dbraw/zinc/99/72/62/1127997262.db2.gz VAILTRUUOMNIFN-QGZVFWFLSA-N 1 1 259.393 3.667 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000468291506 1128001608 /nfs/dbraw/zinc/00/16/08/1128001608.db2.gz PVRNCEIZNCDFQU-GOSISDBHSA-N 1 1 294.373 3.687 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2cc(C#N)cs2)CCS1 ZINC000468540842 1128011748 /nfs/dbraw/zinc/01/17/48/1128011748.db2.gz IVLDPUJDYDHKLJ-UHFFFAOYSA-N 1 1 280.462 3.727 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000545421397 1128014196 /nfs/dbraw/zinc/01/41/96/1128014196.db2.gz XQXPNTXPNXYGMP-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC000609134017 1128031704 /nfs/dbraw/zinc/03/17/04/1128031704.db2.gz ZYZGBWVVZSNXAW-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccccc1C#N)C2 ZINC000609134017 1128031708 /nfs/dbraw/zinc/03/17/08/1128031708.db2.gz ZYZGBWVVZSNXAW-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO C=C(C)C[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000302745700 1128040514 /nfs/dbraw/zinc/04/05/14/1128040514.db2.gz QHIGXYYNBORTFR-UHFFFAOYSA-N 1 1 298.224 3.726 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@H]2CCCC[C@@H]12 ZINC000542040333 1128048980 /nfs/dbraw/zinc/04/89/80/1128048980.db2.gz DEDZECAHUXJRNG-PVUWLOKVSA-N 1 1 272.367 3.708 20 30 CHEDMO C=C(CC)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469766304 1128052910 /nfs/dbraw/zinc/05/29/10/1128052910.db2.gz DCPLLAGMWPLUKR-IRXDYDNUSA-N 1 1 286.463 3.699 20 30 CHEDMO C=C(CC)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469766302 1128053023 /nfs/dbraw/zinc/05/30/23/1128053023.db2.gz DCPLLAGMWPLUKR-DZFIZOCASA-N 1 1 286.463 3.699 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542278911 1128060841 /nfs/dbraw/zinc/06/08/41/1128060841.db2.gz WOOWTAGSRNXQQJ-INIZCTEOSA-N 1 1 256.393 3.763 20 30 CHEDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000929730902 1128061887 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C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000929758342 1128081415 /nfs/dbraw/zinc/08/14/15/1128081415.db2.gz OZWGFPPFNRXUAA-CZUORRHYSA-N 1 1 281.359 3.519 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1ccc(Br)cc1 ZINC000404157126 1128096988 /nfs/dbraw/zinc/09/69/88/1128096988.db2.gz QCNBBYCPQGKGNL-UHFFFAOYSA-N 1 1 268.198 3.847 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CC1CCC(C#N)CC1 ZINC000929782437 1128111879 /nfs/dbraw/zinc/11/18/79/1128111879.db2.gz YCVVCAQNQDNWNY-UHFFFAOYSA-N 1 1 275.440 3.968 20 30 CHEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492768423 1128112362 /nfs/dbraw/zinc/11/23/62/1128112362.db2.gz IYZCJGSQBUVIIQ-QWRGUYRKSA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cn2c(n1)CCCC2)c1ccc(C#N)cc1 ZINC000924785344 1128112787 /nfs/dbraw/zinc/11/27/87/1128112787.db2.gz MLQYNTQLBADWCT-KGLIPLIRSA-N 1 1 294.402 3.503 20 30 CHEDMO N#CC1(CN[C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925705870 1128137943 /nfs/dbraw/zinc/13/79/43/1128137943.db2.gz 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CCCCCCC[C@H](C)[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001258051217 1128698857 /nfs/dbraw/zinc/69/88/57/1128698857.db2.gz CLGBRZKRHQOTGC-GVDBMIGSSA-N 1 1 266.473 3.619 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCCc1cccc2ccccc21 ZINC000609894378 1128731383 /nfs/dbraw/zinc/73/13/83/1128731383.db2.gz AESGATURKNYQRI-OAHLLOKOSA-N 1 1 266.388 3.864 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001139876294 1117745430 /nfs/dbraw/zinc/74/54/30/1117745430.db2.gz QJPPIRWTLMVZGZ-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO N#Cc1cc(F)cc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001139876294 1117745434 /nfs/dbraw/zinc/74/54/34/1117745434.db2.gz QJPPIRWTLMVZGZ-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)c(Br)c1 ZINC000339472496 1117802627 /nfs/dbraw/zinc/80/26/27/1117802627.db2.gz OHARELWGJRVHBL-SECBINFHSA-N 1 1 297.171 3.543 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1cccc(Cl)c1 ZINC000072691544 1117805312 /nfs/dbraw/zinc/80/53/12/1117805312.db2.gz 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1117939189 /nfs/dbraw/zinc/93/91/89/1117939189.db2.gz SAJMFYCZUBPZOU-UHFFFAOYSA-N 1 1 274.408 3.647 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000339657241 1117948610 /nfs/dbraw/zinc/94/86/10/1117948610.db2.gz BVIUJSHYYWSJJZ-INIZCTEOSA-N 1 1 283.419 3.775 20 30 CHEDMO C#CC1CC[NH+](Cc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC001138478668 1128747772 /nfs/dbraw/zinc/74/77/72/1128747772.db2.gz BJCPABWSKWZQDT-UHFFFAOYSA-N 1 1 298.213 3.847 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001209201900 1118011073 /nfs/dbraw/zinc/01/10/73/1118011073.db2.gz YMDSFAUDLCCVJH-NSHDSACASA-N 1 1 253.283 3.567 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000579528969 1128750350 /nfs/dbraw/zinc/75/03/50/1128750350.db2.gz YNEDGWAMWZIUIA-LJQANCHMSA-N 1 1 298.430 3.534 20 30 CHEDMO COc1ccccc1[C@@H](C)N(C)c1ccc(CC#N)c(C)[nH+]1 ZINC001167109790 1118024708 /nfs/dbraw/zinc/02/47/08/1118024708.db2.gz RGEDTUQVOPHAPH-CQSZACIVSA-N 1 1 295.386 3.662 20 30 CHEDMO C=CCCCCC[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001209423201 1118048865 /nfs/dbraw/zinc/04/88/65/1118048865.db2.gz JGJBCAJKRPNYIP-VXGBXAGGSA-N 1 1 267.310 3.813 20 30 CHEDMO C=CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209430911 1118052309 /nfs/dbraw/zinc/05/23/09/1118052309.db2.gz DPJVJCSWWZWFKC-KGLIPLIRSA-N 1 1 293.373 3.758 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001209438263 1118056364 /nfs/dbraw/zinc/05/63/64/1118056364.db2.gz IDGJBEYUGXOKAD-AWEZNQCLSA-N 1 1 293.373 3.760 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCN(CC)CC1(C)C ZINC001209438581 1118057258 /nfs/dbraw/zinc/05/72/58/1118057258.db2.gz OPKLDXUHMMUYLQ-UHFFFAOYSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCCCN1CC[N@@H+](CC)CC1(C)C ZINC001209438581 1118057264 /nfs/dbraw/zinc/05/72/64/1118057264.db2.gz OPKLDXUHMMUYLQ-UHFFFAOYSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCCCN1CC[N@H+](CC)CC1(C)C ZINC001209438581 1118057271 /nfs/dbraw/zinc/05/72/71/1118057271.db2.gz OPKLDXUHMMUYLQ-UHFFFAOYSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001209441122 1118059405 /nfs/dbraw/zinc/05/94/05/1118059405.db2.gz SURXKPNOSPOJRW-UHFFFAOYSA-N 1 1 291.464 3.693 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001209442392 1118060599 /nfs/dbraw/zinc/06/05/99/1118060599.db2.gz RJSKNKACJWYUJS-INIZCTEOSA-N 1 1 281.440 3.788 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001209441788 1118061154 /nfs/dbraw/zinc/06/11/54/1118061154.db2.gz KGHOSZOZDZLBRL-UHFFFAOYSA-N 1 1 252.446 3.539 20 30 CHEDMO Cc1n[nH]cc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001209556246 1118079237 /nfs/dbraw/zinc/07/92/37/1118079237.db2.gz QHFOUCFBKJIUES-UHFFFAOYSA-N 1 1 274.412 3.547 20 30 CHEDMO Cc1n[nH]cc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001209556246 1118079241 /nfs/dbraw/zinc/07/92/41/1118079241.db2.gz QHFOUCFBKJIUES-UHFFFAOYSA-N 1 1 274.412 3.547 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000741791061 1118087436 /nfs/dbraw/zinc/08/74/36/1118087436.db2.gz QBVAGVLLHZRWGU-OLZOCXBDSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC000382476230 1118100721 /nfs/dbraw/zinc/10/07/21/1118100721.db2.gz IOQQUHMFQQSZGU-UHFFFAOYSA-N 1 1 281.783 3.525 20 30 CHEDMO C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110577 1118121831 /nfs/dbraw/zinc/12/18/31/1118121831.db2.gz NIMYWEKJBMUCHF-QGZVFWFLSA-N 1 1 285.366 3.754 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001204483200 1118132922 /nfs/dbraw/zinc/13/29/22/1118132922.db2.gz NKVKLADMLAANAX-LLVKDONJSA-N 1 1 285.284 3.690 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001204483200 1118132926 /nfs/dbraw/zinc/13/29/26/1118132926.db2.gz NKVKLADMLAANAX-LLVKDONJSA-N 1 1 285.284 3.690 20 30 CHEDMO C#CC[N@H+](CCc1ncc(C)cc1C)C1CCCCC1 ZINC001167273743 1118137121 /nfs/dbraw/zinc/13/71/21/1118137121.db2.gz RBMRTQFHMORAFY-UHFFFAOYSA-N 1 1 270.420 3.509 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC001140136198 1118138324 /nfs/dbraw/zinc/13/83/24/1118138324.db2.gz NWHGFWMCWMZWQL-LLVKDONJSA-N 1 1 282.309 3.565 20 30 CHEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000131365665 1118186005 /nfs/dbraw/zinc/18/60/05/1118186005.db2.gz HEDHQVHASDKVQS-CQSZACIVSA-N 1 1 268.360 3.961 20 30 CHEDMO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000130773278 1118197626 /nfs/dbraw/zinc/19/76/26/1118197626.db2.gz MWECMQZZELDIHK-ZZXKWVIFSA-N 1 1 280.346 3.843 20 30 CHEDMO C=CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000338548203 1118214977 /nfs/dbraw/zinc/21/49/77/1118214977.db2.gz GNXLPDRFWFHKHI-CYBMUJFWSA-N 1 1 276.449 3.777 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2cc[nH]c2c1 ZINC001168578583 1118266575 /nfs/dbraw/zinc/26/65/75/1118266575.db2.gz CHMQTANCEQXCEV-UHFFFAOYSA-N 1 1 280.371 3.992 20 30 CHEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000165436906 1118270198 /nfs/dbraw/zinc/27/01/98/1118270198.db2.gz UJYMOJWDWYSHDA-UHFFFAOYSA-N 1 1 264.372 3.889 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000165465046 1118298935 /nfs/dbraw/zinc/29/89/35/1118298935.db2.gz MOWCLGDILMXFTE-GUYCJALGSA-N 1 1 256.393 3.877 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000539104239 1118336143 /nfs/dbraw/zinc/33/61/43/1118336143.db2.gz PGBUGXXVKPNMIL-MJGOQNOKSA-N 1 1 286.463 3.938 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000683792971 1118372682 /nfs/dbraw/zinc/37/26/82/1118372682.db2.gz JQXSXGASJXRWBE-INIZCTEOSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000683792971 1118372687 /nfs/dbraw/zinc/37/26/87/1118372687.db2.gz JQXSXGASJXRWBE-INIZCTEOSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(OC)cc2)no1 ZINC000683792996 1118373086 /nfs/dbraw/zinc/37/30/86/1118373086.db2.gz LMEJNUHZNWSXAS-OAHLLOKOSA-N 1 1 298.386 3.891 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000186245373 1118401510 /nfs/dbraw/zinc/40/15/10/1118401510.db2.gz VYJWJDXTDAUSTJ-UHFFFAOYSA-N 1 1 254.377 3.633 20 30 CHEDMO CCCCCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189535446 1128775443 /nfs/dbraw/zinc/77/54/43/1128775443.db2.gz MKNSYCCSVAFNML-AWEZNQCLSA-N 1 1 278.444 3.749 20 30 CHEDMO CCCCCCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189535446 1128775444 /nfs/dbraw/zinc/77/54/44/1128775444.db2.gz MKNSYCCSVAFNML-AWEZNQCLSA-N 1 1 278.444 3.749 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000064809188 1118421310 /nfs/dbraw/zinc/42/13/10/1118421310.db2.gz RTQIWEBOKYINPY-UHFFFAOYSA-N 1 1 258.340 3.604 20 30 CHEDMO Cc1cnc(CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000579707710 1118475863 /nfs/dbraw/zinc/47/58/63/1118475863.db2.gz CXLHGWOOFNQDPU-INIZCTEOSA-N 1 1 293.414 3.806 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000580798180 1118503732 /nfs/dbraw/zinc/50/37/32/1118503732.db2.gz WXCXHYUUTFXKTD-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000340907860 1118552160 /nfs/dbraw/zinc/55/21/60/1118552160.db2.gz QNPSVDZTTFSGAL-HZPDHXFCSA-N 1 1 251.414 3.624 20 30 CHEDMO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352448568 1118568440 /nfs/dbraw/zinc/56/84/40/1118568440.db2.gz HXNRDFRVOXDXAM-NSHDSACASA-N 1 1 266.747 3.729 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC000610504283 1118582255 /nfs/dbraw/zinc/58/22/55/1118582255.db2.gz GFYPFTNLXRBNNW-GFCCVEGCSA-N 1 1 284.325 3.729 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000178045760 1118613915 /nfs/dbraw/zinc/61/39/15/1118613915.db2.gz UVKZSVMIAMNSAZ-LJQANCHMSA-N 1 1 291.398 3.635 20 30 CHEDMO N#CCSCCC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375640842 1118643036 /nfs/dbraw/zinc/64/30/36/1118643036.db2.gz KXBQOLLPVJGKEC-UHFFFAOYSA-N 1 1 286.444 3.571 20 30 CHEDMO C=CCc1cc(C[N@H+](CCCC)C2CC2)c(O)c(OC)c1 ZINC000754725991 1118645653 /nfs/dbraw/zinc/64/56/53/1118645653.db2.gz KIMWHKCYOXBENW-UHFFFAOYSA-N 1 1 289.419 3.894 20 30 CHEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC001167478349 1118669313 /nfs/dbraw/zinc/66/93/13/1118669313.db2.gz OUIDYTOHNIOYRV-KBPBESRZSA-N 1 1 261.796 3.812 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253091248 1118686797 /nfs/dbraw/zinc/68/67/97/1118686797.db2.gz JJJOYUNUIKIPJX-ZACQAIPSSA-N 1 1 267.457 3.972 20 30 CHEDMO COC1CCC(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000891596863 1118719913 /nfs/dbraw/zinc/71/99/13/1118719913.db2.gz ZBKALFJAUFMVGA-UHFFFAOYSA-N 1 1 298.430 3.728 20 30 CHEDMO CCn1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000891656161 1118732165 /nfs/dbraw/zinc/73/21/65/1118732165.db2.gz LVRILOUQRFVTCO-OAHLLOKOSA-N 1 1 296.418 3.666 20 30 CHEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000891714420 1118749874 /nfs/dbraw/zinc/74/98/74/1118749874.db2.gz YPMMQXXTLGOOOA-LBPRGKRZSA-N 1 1 286.400 3.908 20 30 CHEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000430730703 1118764071 /nfs/dbraw/zinc/76/40/71/1118764071.db2.gz SHOUGINITGHQEF-MRVPVSSYSA-N 1 1 289.326 3.506 20 30 CHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000157993418 1118770643 /nfs/dbraw/zinc/77/06/43/1118770643.db2.gz QLQQBJBLKRAWHC-QGZVFWFLSA-N 1 1 292.382 3.556 20 30 CHEDMO CCc1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000341692792 1118799009 /nfs/dbraw/zinc/79/90/09/1118799009.db2.gz FFAGDTOAMRRCEQ-INIZCTEOSA-N 1 1 297.427 3.744 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(C(F)F)c(F)c1)CC1CC1 ZINC000891937491 1118856193 /nfs/dbraw/zinc/85/61/93/1118856193.db2.gz KDCCLBUKJSPNSU-UHFFFAOYSA-N 1 1 282.309 3.889 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(C(F)F)c(F)c1)CC1CC1 ZINC000891937491 1118856196 /nfs/dbraw/zinc/85/61/96/1118856196.db2.gz KDCCLBUKJSPNSU-UHFFFAOYSA-N 1 1 282.309 3.889 20 30 CHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCCSCC#N ZINC000610787996 1118869970 /nfs/dbraw/zinc/86/99/70/1118869970.db2.gz DATCIPRSCWMDRR-KRWDZBQOSA-N 1 1 288.460 3.889 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)cc1 ZINC000535783214 1118884570 /nfs/dbraw/zinc/88/45/70/1118884570.db2.gz MCBQAFMZEGAJKV-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812873 1118896222 /nfs/dbraw/zinc/89/62/22/1118896222.db2.gz YVARXXKXBHFMEG-CYBMUJFWSA-N 1 1 298.361 3.865 20 30 CHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000181246223 1118908441 /nfs/dbraw/zinc/90/84/41/1118908441.db2.gz ODGANVCSBZVHMM-CQSZACIVSA-N 1 1 274.408 3.645 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000181246223 1118908444 /nfs/dbraw/zinc/90/84/44/1118908444.db2.gz ODGANVCSBZVHMM-CQSZACIVSA-N 1 1 274.408 3.645 20 30 CHEDMO COc1ccc(C[N@H+]2CCCc3sccc3C2)cc1C#N ZINC000610992826 1118918422 /nfs/dbraw/zinc/91/84/22/1118918422.db2.gz MQWHMIAFJBUWRS-UHFFFAOYSA-N 1 1 298.411 3.577 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)ccn1 ZINC000610992598 1118918493 /nfs/dbraw/zinc/91/84/93/1118918493.db2.gz UDDMSGRRHUXHEV-LJQANCHMSA-N 1 1 291.398 3.550 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)ccn1 ZINC000610992376 1118918547 /nfs/dbraw/zinc/91/85/47/1118918547.db2.gz ZAHIEPGWZBWGEB-SFHVURJKSA-N 1 1 283.419 3.888 20 30 CHEDMO CN(C)c1ccc(C=[NH+]Nc2cccc3cnccc32)cc1 ZINC000728431745 1118935768 /nfs/dbraw/zinc/93/57/68/1118935768.db2.gz BFJRMSMNVJAEJT-UHFFFAOYSA-N 1 1 290.370 3.747 20 30 CHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892097467 1118962878 /nfs/dbraw/zinc/96/28/78/1118962878.db2.gz YGQWTUYQRWFBOS-CQSZACIVSA-N 1 1 298.411 3.618 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@@H+](CC34CCC(CC3)C4)CCO2)c1 ZINC000450651541 1118980739 /nfs/dbraw/zinc/98/07/39/1118980739.db2.gz SXZAUUBOLSECSB-ZCDLSOSASA-N 1 1 296.414 3.512 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140542373 1118988491 /nfs/dbraw/zinc/98/84/91/1118988491.db2.gz AFLJVAJEABQAFQ-UHFFFAOYSA-N 1 1 259.397 3.746 20 30 CHEDMO CC#CC[N@H+](CCC)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533352 1118989675 /nfs/dbraw/zinc/98/96/75/1118989675.db2.gz ANCXDLACCYBVFZ-IRXDYDNUSA-N 1 1 277.452 3.850 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC001140546482 1118994398 /nfs/dbraw/zinc/99/43/98/1118994398.db2.gz KVCJAJNSPBETGO-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC001140546482 1118994399 /nfs/dbraw/zinc/99/43/99/1118994399.db2.gz KVCJAJNSPBETGO-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#CCCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000051423901 1119001681 /nfs/dbraw/zinc/00/16/81/1119001681.db2.gz OMYGMFJJGKJTJN-UHFFFAOYSA-N 1 1 293.208 3.717 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934288416 1119008339 /nfs/dbraw/zinc/00/83/39/1119008339.db2.gz YDWFPKCYUWVCBH-CYBMUJFWSA-N 1 1 252.789 3.819 20 30 CHEDMO C[C@@H]1CSCCC[N@H+]1CCCCC(C)(C)C#N ZINC000934297498 1119013308 /nfs/dbraw/zinc/01/33/08/1119013308.db2.gz BVWMHUTULWZWSJ-CYBMUJFWSA-N 1 1 254.443 3.534 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1C(C)C ZINC000395784488 1119067902 /nfs/dbraw/zinc/06/79/02/1119067902.db2.gz OTMWPJLYVWYRDD-MRXNPFEDSA-N 1 1 272.392 3.577 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000934460827 1119076740 /nfs/dbraw/zinc/07/67/40/1119076740.db2.gz RYKKEOOMMUAACU-ZDUSSCGKSA-N 1 1 283.293 3.582 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000934469649 1119081443 /nfs/dbraw/zinc/08/14/43/1119081443.db2.gz XCKVWBXMJAUTDL-ZDUSSCGKSA-N 1 1 290.313 3.770 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000934469649 1119081446 /nfs/dbraw/zinc/08/14/46/1119081446.db2.gz XCKVWBXMJAUTDL-ZDUSSCGKSA-N 1 1 290.313 3.770 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000934471552 1119083566 /nfs/dbraw/zinc/08/35/66/1119083566.db2.gz KCTQIYDNJRDCMK-CVEARBPZSA-N 1 1 286.419 3.589 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000934471552 1119083568 /nfs/dbraw/zinc/08/35/68/1119083568.db2.gz KCTQIYDNJRDCMK-CVEARBPZSA-N 1 1 286.419 3.589 20 30 CHEDMO COc1ccc([C@H](C)[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000158347105 1119090276 /nfs/dbraw/zinc/09/02/76/1119090276.db2.gz ZDAYNYMKLYBNAA-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000158347105 1119090280 /nfs/dbraw/zinc/09/02/80/1119090280.db2.gz ZDAYNYMKLYBNAA-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO Cc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000342607346 1119098559 /nfs/dbraw/zinc/09/85/59/1119098559.db2.gz RHCSFHOESZHWFR-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000342607346 1119098563 /nfs/dbraw/zinc/09/85/63/1119098563.db2.gz RHCSFHOESZHWFR-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO N#CCSCCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000074990061 1119172125 /nfs/dbraw/zinc/17/21/25/1119172125.db2.gz PBJDOGCPXDGABI-KRWDZBQOSA-N 1 1 288.460 3.730 20 30 CHEDMO CC[C@@H]1C[N@@H+](CCCC#N)CC[C@@H]1c1ccccc1 ZINC000472251822 1119189930 /nfs/dbraw/zinc/18/99/30/1119189930.db2.gz VRGLBHRHSNRLHG-WBVHZDCISA-N 1 1 256.393 3.806 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119476817 1119213603 /nfs/dbraw/zinc/21/36/03/1119213603.db2.gz HUMKDXLWMMJXLF-UHFFFAOYSA-N 1 1 278.440 3.742 20 30 CHEDMO C=C(C)COc1cc(CNc2[nH+]cccc2C)ccc1OC ZINC000130950558 1119232438 /nfs/dbraw/zinc/23/24/38/1119232438.db2.gz HPQWPMFRVFALHG-UHFFFAOYSA-N 1 1 298.386 3.966 20 30 CHEDMO Cc1cc(C[NH+]2CCC(C#N)CC2)cc(C(F)(F)F)c1 ZINC001143448711 1119282586 /nfs/dbraw/zinc/28/25/86/1119282586.db2.gz SRLGKQULQRALKB-UHFFFAOYSA-N 1 1 282.309 3.749 20 30 CHEDMO Cc1cc(C)cc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000934801734 1119298572 /nfs/dbraw/zinc/29/85/72/1119298572.db2.gz RFFYCIZVDMGVEO-KRWDZBQOSA-N 1 1 295.430 3.926 20 30 CHEDMO CC#CCC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000155348138 1119332656 /nfs/dbraw/zinc/33/26/56/1119332656.db2.gz ZSXCNAOZCCRVBG-UHFFFAOYSA-N 1 1 282.387 3.619 20 30 CHEDMO Cc1[nH]c2ccc(Nc3ncc(C#N)cc3Cl)cc2[nH+]1 ZINC001213070630 1128840386 /nfs/dbraw/zinc/84/03/86/1128840386.db2.gz ZWKIUHGVERSEDL-UHFFFAOYSA-N 1 1 283.722 3.535 20 30 CHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Cl)c(F)c1 ZINC000127735659 1119369560 /nfs/dbraw/zinc/36/95/60/1119369560.db2.gz AAPRQUIUYRDTFV-UHFFFAOYSA-N 1 1 286.803 3.558 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343323264 1119384662 /nfs/dbraw/zinc/38/46/62/1119384662.db2.gz UMHQZIHXANAXQX-LBPRGKRZSA-N 1 1 262.784 3.507 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)c1C ZINC000343319739 1119385066 /nfs/dbraw/zinc/38/50/66/1119385066.db2.gz JDXCRWMBYQLJTC-INIZCTEOSA-N 1 1 254.377 3.744 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC/C=C\c1cncc(OC)c1 ZINC000583628210 1119386350 /nfs/dbraw/zinc/38/63/50/1119386350.db2.gz SSPSAHDTBVQRFU-LWAXHKBTSA-N 1 1 272.392 3.534 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1nc2ccccc2s1 ZINC000157453163 1119397466 /nfs/dbraw/zinc/39/74/66/1119397466.db2.gz YTOFZXYVPFWLII-UHFFFAOYSA-N 1 1 273.405 3.668 20 30 CHEDMO C[N@H+](CCC(C)(C)C#N)Cc1nc2ccccc2s1 ZINC000157453163 1119397463 /nfs/dbraw/zinc/39/74/63/1119397463.db2.gz YTOFZXYVPFWLII-UHFFFAOYSA-N 1 1 273.405 3.668 20 30 CHEDMO C=CCCC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246494717 1119397788 /nfs/dbraw/zinc/39/77/88/1119397788.db2.gz 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1120336114 /nfs/dbraw/zinc/33/61/14/1120336114.db2.gz ZEFXUPUBQNERHZ-FRRDWIJNSA-N 1 1 286.341 3.733 20 30 CHEDMO C=CCSCCNc1cc[nH+]c2ccsc21 ZINC000309610785 1120337254 /nfs/dbraw/zinc/33/72/54/1120337254.db2.gz MQKNMZZQFKCDEJ-UHFFFAOYSA-N 1 1 250.392 3.627 20 30 CHEDMO CC(C)([NH2+]Cc1csc(C#N)c1)c1ccccc1F ZINC000922143365 1120384305 /nfs/dbraw/zinc/38/43/05/1120384305.db2.gz JAXFJMQHEAIQFU-UHFFFAOYSA-N 1 1 274.364 3.784 20 30 CHEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CCC1 ZINC000930811384 1120426368 /nfs/dbraw/zinc/42/63/68/1120426368.db2.gz NIWPVJGGIFTKLJ-SJORKVTESA-N 1 1 290.451 3.742 20 30 CHEDMO Cc1ccc[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000131007277 1120440603 /nfs/dbraw/zinc/44/06/03/1120440603.db2.gz AKGPNGYEHQDIAK-UHFFFAOYSA-N 1 1 281.359 3.685 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)CCc1cccc(F)c1F ZINC000543182874 1120455333 /nfs/dbraw/zinc/45/53/33/1120455333.db2.gz CUIXVIMMICYVBA-UHFFFAOYSA-N 1 1 291.341 3.831 20 30 CHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000068449284 1120474370 /nfs/dbraw/zinc/47/43/70/1120474370.db2.gz GAAHTLCDBWPGRQ-UHFFFAOYSA-N 1 1 299.418 3.540 20 30 CHEDMO N#CC1(C[NH2+]Cc2nccc3c2CCCC3)CCCCC1 ZINC000922251005 1120485845 /nfs/dbraw/zinc/48/58/45/1120485845.db2.gz VVHMRIJWBNDPAA-UHFFFAOYSA-N 1 1 283.419 3.524 20 30 CHEDMO C[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000543447469 1120525553 /nfs/dbraw/zinc/52/55/53/1120525553.db2.gz YPATWSYQADEWBW-INIZCTEOSA-N 1 1 278.399 3.869 20 30 CHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCC(C)(C)CC1 ZINC000093508344 1120560922 /nfs/dbraw/zinc/56/09/22/1120560922.db2.gz KVFLDESJHIAWPM-UHFFFAOYSA-N 1 1 296.418 3.607 20 30 CHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)o2)C2CC2)cc1C ZINC000093608203 1120563251 /nfs/dbraw/zinc/56/32/51/1120563251.db2.gz WLKTTZDNPOPOKG-UHFFFAOYSA-N 1 1 280.371 3.933 20 30 CHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(C#N)cs1 ZINC000093764332 1120566817 /nfs/dbraw/zinc/56/68/17/1120566817.db2.gz JLASLEHSAULTKM-UHFFFAOYSA-N 1 1 291.445 3.529 20 30 CHEDMO C=C(C)CC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000508976503 1120568515 /nfs/dbraw/zinc/56/85/15/1120568515.db2.gz HCZLCZSDUXRTGQ-IRXDYDNUSA-N 1 1 286.463 3.699 20 30 CHEDMO CC1=C(c2ccco2)C[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428942624 1120579389 /nfs/dbraw/zinc/57/93/89/1120579389.db2.gz NLQCYRUNYFLSTN-UHFFFAOYSA-N 1 1 296.345 3.970 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428942624 1120579392 /nfs/dbraw/zinc/57/93/92/1120579392.db2.gz NLQCYRUNYFLSTN-UHFFFAOYSA-N 1 1 296.345 3.970 20 30 CHEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)[C@H](CCC)C1 ZINC000509005456 1120584721 /nfs/dbraw/zinc/58/47/21/1120584721.db2.gz CSMOIUCHTCUHKS-QGZVFWFLSA-N 1 1 264.457 3.705 20 30 CHEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)C[C@H]1CCC ZINC000509005456 1120584724 /nfs/dbraw/zinc/58/47/24/1120584724.db2.gz CSMOIUCHTCUHKS-QGZVFWFLSA-N 1 1 264.457 3.705 20 30 CHEDMO C=C(C)CCN1CC[N@H+](CCC(=C)C)C[C@H]1CCC ZINC000509005456 1120584727 /nfs/dbraw/zinc/58/47/27/1120584727.db2.gz CSMOIUCHTCUHKS-QGZVFWFLSA-N 1 1 264.457 3.705 20 30 CHEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1CCC(F)(F)CC1 ZINC000428960960 1120587819 /nfs/dbraw/zinc/58/78/19/1120587819.db2.gz JYTYSKQOEULCLI-UHFFFAOYSA-N 1 1 282.309 3.707 20 30 CHEDMO C=CC[N@H+](CCC1(OC)CCC1)Cc1ccccc1 ZINC000338890715 1120622952 /nfs/dbraw/zinc/62/29/52/1120622952.db2.gz WDCCRDWEIINZKN-UHFFFAOYSA-N 1 1 259.393 3.634 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000125883219 1120627953 /nfs/dbraw/zinc/62/79/53/1120627953.db2.gz LXUILEHTIXEJDB-XUJVJEKNSA-N 1 1 260.406 3.773 20 30 CHEDMO CCc1oc2ccccc2c1C[NH2+][C@H](CC)CC#N ZINC000054183522 1120636309 /nfs/dbraw/zinc/63/63/09/1120636309.db2.gz RKTRPARUPQQEFP-GFCCVEGCSA-N 1 1 256.349 3.777 20 30 CHEDMO C=CCCC[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625176186 1120642258 /nfs/dbraw/zinc/64/22/58/1120642258.db2.gz GJGWXWNPWRYHMO-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000131340572 1120655878 /nfs/dbraw/zinc/65/58/78/1120655878.db2.gz SHNVVTRJLKCESI-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000591502722 1120675361 /nfs/dbraw/zinc/67/53/61/1120675361.db2.gz RERNALZPHFDCLK-KRWDZBQOSA-N 1 1 254.377 3.690 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000591502722 1120675363 /nfs/dbraw/zinc/67/53/63/1120675363.db2.gz RERNALZPHFDCLK-KRWDZBQOSA-N 1 1 254.377 3.690 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)Cc2ccccc2O1 ZINC000429159381 1120690972 /nfs/dbraw/zinc/69/09/72/1120690972.db2.gz LTKMIDLGVXOHPT-OAHLLOKOSA-N 1 1 292.382 3.536 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162863690 1120694783 /nfs/dbraw/zinc/69/47/83/1120694783.db2.gz JTOFCYRBMUBWKQ-AWEZNQCLSA-N 1 1 262.784 3.976 20 30 CHEDMO C=CC[N@@H+](Cc1cccnc1C(F)(F)F)C(C)(C)C ZINC000625538806 1120699778 /nfs/dbraw/zinc/69/97/78/1120699778.db2.gz LMYSZBMHSQJLBG-UHFFFAOYSA-N 1 1 272.314 3.887 20 30 CHEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(CCCC)n1 ZINC000661117882 1120721062 /nfs/dbraw/zinc/72/10/62/1120721062.db2.gz UXOGBCWMCSWORE-KBPBESRZSA-N 1 1 277.412 3.637 20 30 CHEDMO C=CC(NC1c2ccccc2-c2ccccc21)=[NH+]COC ZINC001167776734 1120744594 /nfs/dbraw/zinc/74/45/94/1120744594.db2.gz MVTNTLFPMXZXDE-UHFFFAOYSA-N 1 1 278.355 3.534 20 30 CHEDMO Cc1nc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)s1 ZINC000618801465 1128938359 /nfs/dbraw/zinc/93/83/59/1128938359.db2.gz BAYVXSPVMMPSQJ-HWPZZCPQSA-N 1 1 297.427 3.970 20 30 CHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC#N)cc1F ZINC000595750372 1120789585 /nfs/dbraw/zinc/78/95/85/1120789585.db2.gz AWLNEJRKQJMFNL-OAHLLOKOSA-N 1 1 276.355 3.665 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C(C)(C)C ZINC000661756588 1120808827 /nfs/dbraw/zinc/80/88/27/1120808827.db2.gz RQECILNDDYTQKR-UHFFFAOYSA-N 1 1 298.789 3.704 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C(C)(C)C ZINC000661756412 1120809041 /nfs/dbraw/zinc/80/90/41/1120809041.db2.gz NTMWWNSVFUSQQJ-UHFFFAOYSA-N 1 1 298.789 3.704 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000597155409 1120821551 /nfs/dbraw/zinc/82/15/51/1120821551.db2.gz AKVJAYXOPRPJOT-UHFFFAOYSA-N 1 1 256.393 3.862 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000054179223 1120847331 /nfs/dbraw/zinc/84/73/31/1120847331.db2.gz AUHBAAAQIBHPEU-CQSZACIVSA-N 1 1 266.344 3.728 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1CC ZINC000662078793 1120870547 /nfs/dbraw/zinc/87/05/47/1120870547.db2.gz GSPAHFLRLUDPCX-BHYGNILZSA-N 1 1 298.430 3.759 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000662078321 1120871846 /nfs/dbraw/zinc/87/18/46/1120871846.db2.gz AKNYGSWZDHVZSG-CWRNSKLLSA-N 1 1 295.386 3.981 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)c1ccc(C)cc1 ZINC000662089916 1120873299 /nfs/dbraw/zinc/87/32/99/1120873299.db2.gz HNMTUJFKHAAJMX-CALCHBBNSA-N 1 1 269.388 3.751 20 30 CHEDMO Cc1ncccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872467 1120891348 /nfs/dbraw/zinc/89/13/48/1120891348.db2.gz QWFHSSHZKQCOFT-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1ncccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872467 1120891350 /nfs/dbraw/zinc/89/13/50/1120891350.db2.gz QWFHSSHZKQCOFT-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473177056 1120931090 /nfs/dbraw/zinc/93/10/90/1120931090.db2.gz MHGKJGZYHCIFHM-QAPCUYQASA-N 1 1 271.404 3.863 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2csc(C#N)c2)C1 ZINC000893571661 1120935342 /nfs/dbraw/zinc/93/53/42/1120935342.db2.gz NRWBNEVGYCFIDY-MLGOLLRUSA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2csc(C#N)c2)C1 ZINC000893571661 1120935348 /nfs/dbraw/zinc/93/53/48/1120935348.db2.gz NRWBNEVGYCFIDY-MLGOLLRUSA-N 1 1 283.400 3.598 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893605741 1120972029 /nfs/dbraw/zinc/97/20/29/1120972029.db2.gz IVSPZAIXRLNOPI-SNVBAGLBSA-N 1 1 256.271 3.545 20 30 CHEDMO CC[N@@H+](CCCc1cccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000929333957 1121027325 /nfs/dbraw/zinc/02/73/25/1121027325.db2.gz SNPFBESUGGUVPD-MRXNPFEDSA-N 1 1 293.414 3.969 20 30 CHEDMO N#Cc1ccccc1CNc1cccc2cc[nH+]cc21 ZINC000228615608 1121031742 /nfs/dbraw/zinc/03/17/42/1121031742.db2.gz OHKSNDLCQIQIPN-UHFFFAOYSA-N 1 1 259.312 3.719 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000625701215 1121060928 /nfs/dbraw/zinc/06/09/28/1121060928.db2.gz HVMQFJWPAWLNJV-GFCCVEGCSA-N 1 1 258.390 3.694 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000625700480 1121061208 /nfs/dbraw/zinc/06/12/08/1121061208.db2.gz IPYURFQABRKSGF-GFCCVEGCSA-N 1 1 274.389 3.801 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000625700220 1121061691 /nfs/dbraw/zinc/06/16/91/1121061691.db2.gz AQLIFKJKCHOPFR-HNNXBMFYSA-N 1 1 279.387 3.542 20 30 CHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)o1 ZINC000344224250 1121125098 /nfs/dbraw/zinc/12/50/98/1121125098.db2.gz TYECKKKLROTNPX-UHFFFAOYSA-N 1 1 272.735 3.584 20 30 CHEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000658095478 1121157531 /nfs/dbraw/zinc/15/75/31/1121157531.db2.gz HRDGWSAWZQMLPP-GJZGRUSLSA-N 1 1 276.424 3.749 20 30 CHEDMO C=CCC[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000658095478 1121157533 /nfs/dbraw/zinc/15/75/33/1121157533.db2.gz HRDGWSAWZQMLPP-GJZGRUSLSA-N 1 1 276.424 3.749 20 30 CHEDMO C=C(C)CC[N@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC001175088952 1121179950 /nfs/dbraw/zinc/17/99/50/1121179950.db2.gz WMBVBAUPULJKCG-QAPCUYQASA-N 1 1 273.420 3.977 20 30 CHEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000245493941 1121198103 /nfs/dbraw/zinc/19/81/03/1121198103.db2.gz MNECZVAKWWCPFQ-LZQZEXGQSA-N 1 1 297.446 3.566 20 30 CHEDMO C=CCCCCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512204704 1121198678 /nfs/dbraw/zinc/19/86/78/1121198678.db2.gz VAESCVDMCNGNLP-UHFFFAOYSA-N 1 1 299.418 3.957 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC001175228417 1121232651 /nfs/dbraw/zinc/23/26/51/1121232651.db2.gz HDEQDCINFXAXIF-IAGOWNOFSA-N 1 1 291.410 3.721 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000070409616 1128973601 /nfs/dbraw/zinc/97/36/01/1128973601.db2.gz HOPLDTMQJLEDDG-HNNXBMFYSA-N 1 1 272.392 3.592 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000093867594 1128976346 /nfs/dbraw/zinc/97/63/46/1128976346.db2.gz GKGRSPJBXLNEKI-WBMJQRKESA-N 1 1 268.385 3.813 20 30 CHEDMO C=CCc1cccc(C[N@H+](C)Cc2cccc(OC)c2)c1O ZINC001138629363 1128980240 /nfs/dbraw/zinc/98/02/40/1128980240.db2.gz WGGNFAIXECZFPU-UHFFFAOYSA-N 1 1 297.398 3.761 20 30 CHEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001175504621 1121352365 /nfs/dbraw/zinc/35/23/65/1121352365.db2.gz DCPNQDKIBPVHQX-UHFFFAOYSA-N 1 1 289.382 3.760 20 30 CHEDMO CC1(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000432810758 1121375568 /nfs/dbraw/zinc/37/55/68/1121375568.db2.gz AULNPYRNGSDSDA-IAGOWNOFSA-N 1 1 268.404 3.948 20 30 CHEDMO C#C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(C)(C)C ZINC000705243801 1121394893 /nfs/dbraw/zinc/39/48/93/1121394893.db2.gz JEZYOLNNBQYIEI-LBPRGKRZSA-N 1 1 264.438 3.578 20 30 CHEDMO C=C(C)C[N@H+](CCC(C)C)Cc1cnn(C(C)C)c1 ZINC000512521946 1121407282 /nfs/dbraw/zinc/40/72/82/1121407282.db2.gz MFRIBMWHODVQMI-UHFFFAOYSA-N 1 1 263.429 3.888 20 30 CHEDMO Oc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC000676633132 1121450386 /nfs/dbraw/zinc/45/03/86/1121450386.db2.gz XCXYZMBCWORLGL-LJQANCHMSA-N 1 1 295.357 3.720 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000709578599 1121471155 /nfs/dbraw/zinc/47/11/55/1121471155.db2.gz ZUCRHFXGAREKRA-YUELXQCFSA-N 1 1 259.397 3.512 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000072101154 1121472254 /nfs/dbraw/zinc/47/22/54/1121472254.db2.gz FAQYDDOUALVNHV-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000072101154 1121472257 /nfs/dbraw/zinc/47/22/57/1121472257.db2.gz FAQYDDOUALVNHV-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO CC[N@@H+](Cc1c(C)cc(Cl)cc1C)C[C@H](C)C#N ZINC000509765694 1121473557 /nfs/dbraw/zinc/47/35/57/1121473557.db2.gz KTGBVLLHIUDWKR-LLVKDONJSA-N 1 1 264.800 3.938 20 30 CHEDMO CC[N@H+](Cc1c(C)cc(Cl)cc1C)C[C@H](C)C#N ZINC000509765694 1121473562 /nfs/dbraw/zinc/47/35/62/1121473562.db2.gz KTGBVLLHIUDWKR-LLVKDONJSA-N 1 1 264.800 3.938 20 30 CHEDMO FC1(F)CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000625770211 1121491071 /nfs/dbraw/zinc/49/10/71/1121491071.db2.gz SAEZXDQUAWYNMY-UHFFFAOYSA-N 1 1 283.749 3.813 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000614164465 1121498656 /nfs/dbraw/zinc/49/86/56/1121498656.db2.gz BYRRVOJQNMDODQ-UHFFFAOYSA-N 1 1 256.393 3.862 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512626516 1121498805 /nfs/dbraw/zinc/49/88/05/1121498805.db2.gz UXPWZVKNSDXMSI-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000614178867 1121505401 /nfs/dbraw/zinc/50/54/01/1121505401.db2.gz ROEBFIJHQRCEBZ-INIZCTEOSA-N 1 1 268.404 3.720 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000509277517 1121506370 /nfs/dbraw/zinc/50/63/70/1121506370.db2.gz UUIBUHVCUCGWBP-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000614183668 1121513070 /nfs/dbraw/zinc/51/30/70/1121513070.db2.gz AOTVCWLGDWBNPL-GOSISDBHSA-N 1 1 281.403 3.613 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000614183668 1121513076 /nfs/dbraw/zinc/51/30/76/1121513076.db2.gz AOTVCWLGDWBNPL-GOSISDBHSA-N 1 1 281.403 3.613 20 30 CHEDMO Cc1ccc(C)c(C[N@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000429294334 1121513436 /nfs/dbraw/zinc/51/34/36/1121513436.db2.gz MGPJGCRJPJKAJH-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000429294334 1121513442 /nfs/dbraw/zinc/51/34/42/1121513442.db2.gz MGPJGCRJPJKAJH-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO Cc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433009190 1121515914 /nfs/dbraw/zinc/51/59/14/1121515914.db2.gz GTAZAOCMKCFNJZ-MRXNPFEDSA-N 1 1 269.348 3.508 20 30 CHEDMO COCC[N@H+](CCC#N)C[C@@H](CC(C)C)c1ccccc1 ZINC000619424217 1128991011 /nfs/dbraw/zinc/99/10/11/1128991011.db2.gz QGYVRZXTNCRYFL-GOSISDBHSA-N 1 1 288.435 3.678 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000509309145 1121523216 /nfs/dbraw/zinc/52/32/16/1121523216.db2.gz CKXGPROWKCROLG-INIZCTEOSA-N 1 1 275.392 3.807 20 30 CHEDMO COCC[N@@H+](CCC#N)C[C@@H](CC(C)C)c1ccccc1 ZINC000619424217 1128991014 /nfs/dbraw/zinc/99/10/14/1128991014.db2.gz QGYVRZXTNCRYFL-GOSISDBHSA-N 1 1 288.435 3.678 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000433048644 1121533707 /nfs/dbraw/zinc/53/37/07/1121533707.db2.gz XWJMXIWRNFXLKP-NVXWUHKLSA-N 1 1 286.419 3.990 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000509363923 1121551242 /nfs/dbraw/zinc/55/12/42/1121551242.db2.gz CMFZAZLAPNQSOF-IEBWSBKVSA-N 1 1 286.463 3.938 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000509363926 1121551315 /nfs/dbraw/zinc/55/13/15/1121551315.db2.gz CMFZAZLAPNQSOF-PKOBYXMFSA-N 1 1 286.463 3.938 20 30 CHEDMO CC(C)[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1F ZINC000929379385 1121560000 /nfs/dbraw/zinc/56/00/00/1121560000.db2.gz CKLUOWGSTOHQHW-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CC(C)[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1F ZINC000929379385 1121560006 /nfs/dbraw/zinc/56/00/06/1121560006.db2.gz CKLUOWGSTOHQHW-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CCCCCCCN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001176153981 1121570918 /nfs/dbraw/zinc/57/09/18/1121570918.db2.gz JMSYDWVTXQTZGY-MRXNPFEDSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[N@@H+]1CCN(C2CCCC2)[C@H](C)C1 ZINC001176153981 1121570925 /nfs/dbraw/zinc/57/09/25/1121570925.db2.gz JMSYDWVTXQTZGY-MRXNPFEDSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[N@H+]1CCN(C2CCCC2)[C@H](C)C1 ZINC001176153981 1121570933 /nfs/dbraw/zinc/57/09/33/1121570933.db2.gz JMSYDWVTXQTZGY-MRXNPFEDSA-N 1 1 266.473 3.906 20 30 CHEDMO CCN1CC[C@H]([N@H+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121577005 /nfs/dbraw/zinc/57/70/05/1121577005.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 1 1 291.483 3.513 20 30 CHEDMO CCN1CC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121577012 /nfs/dbraw/zinc/57/70/12/1121577012.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 1 1 291.483 3.513 20 30 CHEDMO CC[N@@H+]1CC[C@H](N(C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121577020 /nfs/dbraw/zinc/57/70/20/1121577020.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 1 1 291.483 3.513 20 30 CHEDMO CC[N@H+]1CC[C@H](N(C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121577024 /nfs/dbraw/zinc/57/70/24/1121577024.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 1 1 291.483 3.513 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001176235742 1121584052 /nfs/dbraw/zinc/58/40/52/1121584052.db2.gz ZBCRYYHMRVFDGA-HNNXBMFYSA-N 1 1 298.471 3.946 20 30 CHEDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000466745701 1121597580 /nfs/dbraw/zinc/59/75/80/1121597580.db2.gz XBDLFQZWQSCCDA-ZBFHGGJFSA-N 1 1 256.393 3.987 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(Cl)c2cccnc12)C(C)C ZINC001176371962 1121617976 /nfs/dbraw/zinc/61/79/76/1121617976.db2.gz BOXKUWXGEGYMOT-UHFFFAOYSA-N 1 1 272.779 3.732 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000611254279 1121632237 /nfs/dbraw/zinc/63/22/37/1121632237.db2.gz NWJPRYQARPCKQB-UHFFFAOYSA-N 1 1 272.373 3.686 20 30 CHEDMO Cc1ccc(C[N@@H+](Cc2cc(C#N)cs2)C2CC2)o1 ZINC000611254279 1121632241 /nfs/dbraw/zinc/63/22/41/1121632241.db2.gz NWJPRYQARPCKQB-UHFFFAOYSA-N 1 1 272.373 3.686 20 30 CHEDMO C=C(CC)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412010691 1121637456 /nfs/dbraw/zinc/63/74/56/1121637456.db2.gz ITHDKABVYSDUKN-KRWDZBQOSA-N 1 1 271.404 3.806 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000611373242 1121640613 /nfs/dbraw/zinc/64/06/13/1121640613.db2.gz RUKACCCIRKQQHB-JKSUJKDBSA-N 1 1 281.440 3.787 20 30 CHEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1c(F)cccc1Cl ZINC000611404281 1121643494 /nfs/dbraw/zinc/64/34/94/1121643494.db2.gz YKQIZMMQYCKEEQ-JTQLQIEISA-N 1 1 289.741 3.597 20 30 CHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC(C)(C)C#N ZINC000611462458 1121648528 /nfs/dbraw/zinc/64/85/28/1121648528.db2.gz AZUITAKSMXOVNH-LBPRGKRZSA-N 1 1 260.356 3.685 20 30 CHEDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000611446474 1121649153 /nfs/dbraw/zinc/64/91/53/1121649153.db2.gz ZYUXWBRQYCXMRS-GFCCVEGCSA-N 1 1 297.427 3.744 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCc2ccccc21 ZINC000611548962 1121655660 /nfs/dbraw/zinc/65/56/60/1121655660.db2.gz AFKKBTXCXZACHH-GOSISDBHSA-N 1 1 276.383 3.720 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611554632 1121656649 /nfs/dbraw/zinc/65/66/49/1121656649.db2.gz HMVKLCFUTHSJPQ-WFTPILKQSA-N 1 1 254.377 3.858 20 30 CHEDMO C#CCCCCCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000877498770 1121671609 /nfs/dbraw/zinc/67/16/09/1121671609.db2.gz IMASAINKWWEVAA-UHFFFAOYSA-N 1 1 273.424 3.616 20 30 CHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1cccc(Cl)c1 ZINC001176797695 1121693277 /nfs/dbraw/zinc/69/32/77/1121693277.db2.gz DEDJVYHFPKOHIE-UHFFFAOYSA-N 1 1 280.799 3.567 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC001176770978 1121694008 /nfs/dbraw/zinc/69/40/08/1121694008.db2.gz CFKFFIZWIIMMLF-INIZCTEOSA-N 1 1 259.393 3.934 20 30 CHEDMO C[C@H](C[N@H+]1CCc2c(C#N)c(N)sc2C1)CC(C)(C)C ZINC001176771178 1121694316 /nfs/dbraw/zinc/69/43/16/1121694316.db2.gz GWNLUDFWHMXDCB-NSHDSACASA-N 1 1 291.464 3.632 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1CCO[C@H](CC)c1ccccc1 ZINC001176814782 1121695400 /nfs/dbraw/zinc/69/54/00/1121695400.db2.gz QNESZQSTBKGYIY-DLBZAZTESA-N 1 1 259.393 3.805 20 30 CHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000397741801 1121695542 /nfs/dbraw/zinc/69/55/42/1121695542.db2.gz NDXOOHVRZDVLBK-HNNXBMFYSA-N 1 1 256.393 3.936 20 30 CHEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](OC(C)C)c1ccccc1 ZINC001176832836 1121696940 /nfs/dbraw/zinc/69/69/40/1121696940.db2.gz KJBODHYUZHEMBG-ROUUACIJSA-N 1 1 271.404 3.640 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@H](OC)C1CCCCC1 ZINC001176798502 1121697453 /nfs/dbraw/zinc/69/74/53/1121697453.db2.gz QWNQWHLDNVTRHI-INIZCTEOSA-N 1 1 253.430 3.870 20 30 CHEDMO CCc1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001177008842 1121705882 /nfs/dbraw/zinc/70/58/82/1121705882.db2.gz PCGFKZYCOYUQLO-UHFFFAOYSA-N 1 1 294.373 3.818 20 30 CHEDMO CCc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC001177008842 1121705886 /nfs/dbraw/zinc/70/58/86/1121705886.db2.gz PCGFKZYCOYUQLO-UHFFFAOYSA-N 1 1 294.373 3.818 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000614402354 1121709623 /nfs/dbraw/zinc/70/96/23/1121709623.db2.gz ADUAYMBFZDFXKF-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000614402747 1121710888 /nfs/dbraw/zinc/71/08/88/1121710888.db2.gz CDNIEVWDPAVBMK-LJQANCHMSA-N 1 1 292.382 3.909 20 30 CHEDMO C=CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccncc1 ZINC001177886091 1121754928 /nfs/dbraw/zinc/75/49/28/1121754928.db2.gz XEPMBQLJVYHNIN-CQSZACIVSA-N 1 1 299.443 3.824 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 ZINC000619754678 1129010309 /nfs/dbraw/zinc/01/03/09/1129010309.db2.gz HNXOLYHDZGRXOU-JTQLQIEISA-N 1 1 289.741 3.597 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000731211739 1121854975 /nfs/dbraw/zinc/85/49/75/1121854975.db2.gz YRQBYJITHPIANZ-SFHVURJKSA-N 1 1 284.403 3.744 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000731660838 1121877006 /nfs/dbraw/zinc/87/70/06/1121877006.db2.gz WBYSZWUCHOBTQI-GFCCVEGCSA-N 1 1 271.389 3.562 20 30 CHEDMO C[C@H](CC#N)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC001179479677 1121883705 /nfs/dbraw/zinc/88/37/05/1121883705.db2.gz PZVIJXIFNRKPNN-CQSZACIVSA-N 1 1 298.361 3.796 20 30 CHEDMO C#CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)C1CCCCC1 ZINC001307444995 1121895428 /nfs/dbraw/zinc/89/54/28/1121895428.db2.gz QHAWMSIBYVHRCH-SJLPKXTDSA-N 1 1 277.452 3.850 20 30 CHEDMO CCCCCCCC[C@H](CO)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC001179772135 1121906795 /nfs/dbraw/zinc/90/67/95/1121906795.db2.gz WVUWOXKWTLFSKP-DLBZAZTESA-N 1 1 298.515 3.560 20 30 CHEDMO CCCn1cncc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001179914050 1121930532 /nfs/dbraw/zinc/93/05/32/1121930532.db2.gz QRDSRPWARJQKHY-UHFFFAOYSA-N 1 1 296.418 3.575 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC001179919897 1121932282 /nfs/dbraw/zinc/93/22/82/1121932282.db2.gz QFMNAIVSEZFKTN-QZTJIDSGSA-N 1 1 285.431 3.564 20 30 CHEDMO CC1CC[NH+](c2ccc(NC[C@@H](C#N)CCC#N)cc2)CC1 ZINC000732917798 1121943985 /nfs/dbraw/zinc/94/39/85/1121943985.db2.gz LKFZMJYVPSBXME-MRXNPFEDSA-N 1 1 296.418 3.778 20 30 CHEDMO C[C@H]1C[N@H+](Cc2csc(C#N)c2)[C@H]1c1ccccc1 ZINC001180143432 1121951750 /nfs/dbraw/zinc/95/17/50/1121951750.db2.gz WNPFKUWBQCOREJ-BLLLJJGKSA-N 1 1 268.385 3.813 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)[C@H]1c1ccccc1 ZINC001180143432 1121951755 /nfs/dbraw/zinc/95/17/55/1121951755.db2.gz WNPFKUWBQCOREJ-BLLLJJGKSA-N 1 1 268.385 3.813 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1cc(C)nn1C ZINC001180172822 1121954396 /nfs/dbraw/zinc/95/43/96/1121954396.db2.gz BJZLVYGMGLPPAH-UHFFFAOYSA-N 1 1 265.445 3.911 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)c2ccccc12)CC1CC1 ZINC001180116258 1121955131 /nfs/dbraw/zinc/95/51/31/1121955131.db2.gz HQQZTGIMPCLSLA-UHFFFAOYSA-N 1 1 267.347 3.824 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000501207119 1121963126 /nfs/dbraw/zinc/96/31/26/1121963126.db2.gz SVSDAKNCRRJGDG-MRXNPFEDSA-N 1 1 272.392 3.577 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000501188137 1121963220 /nfs/dbraw/zinc/96/32/20/1121963220.db2.gz RUPHARNXMKMXBZ-HNNXBMFYSA-N 1 1 294.398 3.802 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000501211406 1121963341 /nfs/dbraw/zinc/96/33/41/1121963341.db2.gz WAIDSSQBGJGWER-AUUYWEPGSA-N 1 1 292.382 3.760 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000501231515 1121965589 /nfs/dbraw/zinc/96/55/89/1121965589.db2.gz IBYDOVXIDNSXSP-AWEZNQCLSA-N 1 1 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284.403 3.579 20 30 CHEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC001195368541 1122865082 /nfs/dbraw/zinc/86/50/82/1122865082.db2.gz WSMXQUQNAHYMOE-VQIMIIECSA-N 1 1 299.462 3.814 20 30 CHEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)Cc2ccccc2O1 ZINC000519554975 1122867993 /nfs/dbraw/zinc/86/79/93/1122867993.db2.gz DRECTAASWDIHIV-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)Cc2ccccc2O1 ZINC000519554975 1122868000 /nfs/dbraw/zinc/86/80/00/1122868000.db2.gz DRECTAASWDIHIV-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC001195648079 1122880007 /nfs/dbraw/zinc/88/00/07/1122880007.db2.gz DWUMSWIDTCATQR-QGZVFWFLSA-N 1 1 277.452 3.994 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)C1CCCCC1 ZINC000473741820 1122884511 /nfs/dbraw/zinc/88/45/11/1122884511.db2.gz SEIUOLJFAWVJQT-INIZCTEOSA-N 1 1 279.449 3.677 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001195768782 1122885067 /nfs/dbraw/zinc/88/50/67/1122885067.db2.gz WSEMDOLBFCFISA-BBRMVZONSA-N 1 1 293.838 3.629 20 30 CHEDMO C#CCCCCCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC001196142486 1122906836 /nfs/dbraw/zinc/90/68/36/1122906836.db2.gz MSUGSYDFPHXNQI-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC001196142486 1122906840 /nfs/dbraw/zinc/90/68/40/1122906840.db2.gz MSUGSYDFPHXNQI-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C=CC[N@H+](CCc1cccc2c1OC(F)(F)O2)C(C)(C)C ZINC001196197910 1122911095 /nfs/dbraw/zinc/91/10/95/1122911095.db2.gz CAGYUOYJQZTWQI-UHFFFAOYSA-N 1 1 297.345 3.837 20 30 CHEDMO CCCCCCCCC[N@H+]1Cc2nc(C)[nH]c(=O)c2C1 ZINC001196640174 1122929093 /nfs/dbraw/zinc/92/90/93/1122929093.db2.gz UXKNBSQACPONDS-UHFFFAOYSA-N 1 1 277.412 3.557 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001196771154 1122933964 /nfs/dbraw/zinc/93/39/64/1122933964.db2.gz FXFHEDWQAIWVTB-ROUUACIJSA-N 1 1 273.420 3.931 20 30 CHEDMO C[N@H+](CCc1c(F)cccc1Cl)[C@H]1CCC[C@H]1C#N ZINC001196832882 1122934515 /nfs/dbraw/zinc/93/45/15/1122934515.db2.gz OMYGIBIATIKZQT-NHYWBVRUSA-N 1 1 280.774 3.646 20 30 CHEDMO C[N@@H+](CCc1c(F)cccc1Cl)[C@H]1CCC[C@H]1C#N ZINC001196832882 1122934516 /nfs/dbraw/zinc/93/45/16/1122934516.db2.gz OMYGIBIATIKZQT-NHYWBVRUSA-N 1 1 280.774 3.646 20 30 CHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000507182111 1122935555 /nfs/dbraw/zinc/93/55/55/1122935555.db2.gz LZJSWCKKXBPRNX-GOSISDBHSA-N 1 1 276.383 3.856 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)C(C)C)cc(OC)c1O ZINC000507250999 1122942314 /nfs/dbraw/zinc/94/23/14/1122942314.db2.gz FBFDSWYDPHYBAD-CYBMUJFWSA-N 1 1 277.408 3.606 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(C)s1 ZINC000120824840 1122945188 /nfs/dbraw/zinc/94/51/88/1122945188.db2.gz ZOGCCKSEEZONJU-UHFFFAOYSA-N 1 1 286.400 3.569 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001197315503 1122952149 /nfs/dbraw/zinc/95/21/49/1122952149.db2.gz JOLVJNUGSVDGGA-QZTJIDSGSA-N 1 1 287.447 3.890 20 30 CHEDMO C#CCCCCCCN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001197350024 1122952953 /nfs/dbraw/zinc/95/29/53/1122952953.db2.gz OJCDEQCQSBOTFK-LJQANCHMSA-N 1 1 298.474 3.949 20 30 CHEDMO CC[N@@H+](Cc1ccc(C2CCC2)cc1)C[C@H](C)C#N ZINC000507583009 1122966067 /nfs/dbraw/zinc/96/60/67/1122966067.db2.gz NYBDNNSSPLMRRM-CQSZACIVSA-N 1 1 256.393 3.936 20 30 CHEDMO CC[N@H+](Cc1ccc(C2CCC2)cc1)C[C@H](C)C#N ZINC000507583009 1122966069 /nfs/dbraw/zinc/96/60/69/1122966069.db2.gz NYBDNNSSPLMRRM-CQSZACIVSA-N 1 1 256.393 3.936 20 30 CHEDMO C#CC[N@H+](CCSCC)[C@@H]1CCCc2ccccc21 ZINC001198103220 1122981864 /nfs/dbraw/zinc/98/18/64/1122981864.db2.gz FWSITLDACDYBGD-QGZVFWFLSA-N 1 1 273.445 3.752 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)s1 ZINC000507715978 1122990015 /nfs/dbraw/zinc/99/00/15/1122990015.db2.gz SOLGTPJAISCLMV-CQSZACIVSA-N 1 1 298.411 3.521 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000334334070 1122990608 /nfs/dbraw/zinc/99/06/08/1122990608.db2.gz WJPKDHJWMOFYPI-UHFFFAOYSA-N 1 1 289.448 3.926 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](OC)C1CCCC1 ZINC001198414176 1122990820 /nfs/dbraw/zinc/99/08/20/1122990820.db2.gz GDTSGUDHHHVUIB-CVEARBPZSA-N 1 1 251.414 3.622 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1CCOc1ccccc1OCC ZINC001198407377 1122990894 /nfs/dbraw/zinc/99/08/94/1122990894.db2.gz VZHICNVAMNEMOS-MRXNPFEDSA-N 1 1 289.419 3.895 20 30 CHEDMO N#CCC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000334346250 1122991356 /nfs/dbraw/zinc/99/13/56/1122991356.db2.gz VPZGAFGXGZXINM-UHFFFAOYSA-N 1 1 299.237 3.636 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685835 1123007117 /nfs/dbraw/zinc/00/71/17/1123007117.db2.gz OYDSOVCKHJVLBH-CVEARBPZSA-N 1 1 278.440 3.740 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001198791245 1123009717 /nfs/dbraw/zinc/00/97/17/1123009717.db2.gz UCXVUEZTCGKEDR-HZPDHXFCSA-N 1 1 251.414 3.624 20 30 CHEDMO CCc1ccc2c(c1)C[N@H+](CCc1ccc(C#N)cc1)CC2 ZINC001198853423 1123012184 /nfs/dbraw/zinc/01/21/84/1123012184.db2.gz XSPNDGKXSWDYNO-UHFFFAOYSA-N 1 1 290.410 3.721 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC001203919576 1123014970 /nfs/dbraw/zinc/01/49/70/1123014970.db2.gz ZNBNOMBLHIBBKH-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC001203919576 1123014975 /nfs/dbraw/zinc/01/49/75/1123014975.db2.gz ZNBNOMBLHIBBKH-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC1CC1 ZINC000441244948 1123070434 /nfs/dbraw/zinc/07/04/34/1123070434.db2.gz LFPHLJMCLOXNEB-UHFFFAOYSA-N 1 1 297.320 3.669 20 30 CHEDMO CSc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000520297124 1123072325 /nfs/dbraw/zinc/07/23/25/1123072325.db2.gz KLONKAQRAUEEFK-UHFFFAOYSA-N 1 1 288.441 3.974 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441371613 1123081632 /nfs/dbraw/zinc/08/16/32/1123081632.db2.gz MPNPFFCRIZLVQG-QGZVFWFLSA-N 1 1 258.409 3.856 20 30 CHEDMO CCc1oc2ccccc2c1C[N@H+](C)CC1(C#N)CC1 ZINC000343245610 1123106949 /nfs/dbraw/zinc/10/69/49/1123106949.db2.gz FSUJCDGAVJYDIF-UHFFFAOYSA-N 1 1 268.360 3.731 20 30 CHEDMO CCc1oc2ccccc2c1C[N@@H+](C)CC1(C#N)CC1 ZINC000343245610 1123106952 /nfs/dbraw/zinc/10/69/52/1123106952.db2.gz FSUJCDGAVJYDIF-UHFFFAOYSA-N 1 1 268.360 3.731 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)cc1C#N ZINC000441464297 1123136481 /nfs/dbraw/zinc/13/64/81/1123136481.db2.gz AJNJTLAMNPDRFR-IIYDPXPESA-N 1 1 272.367 3.850 20 30 CHEDMO CC(N=Nc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779752098 1129101222 /nfs/dbraw/zinc/10/12/22/1129101222.db2.gz GZMXQFKPYZTUHJ-GOSISDBHSA-N 1 1 293.414 3.997 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001201838855 1123154130 /nfs/dbraw/zinc/15/41/30/1123154130.db2.gz FLNZQXWKZBYISE-GJZGRUSLSA-N 1 1 259.409 3.532 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)ccc1F ZINC000441470561 1123139856 /nfs/dbraw/zinc/13/98/56/1123139856.db2.gz XEXGJTCMSKWHTM-IFIJOSMWSA-N 1 1 272.367 3.850 20 30 CHEDMO CC[N@@H+](Cc1ccc2nc(C)ccc2c1)C[C@H](C)C#N ZINC000189743873 1123142513 /nfs/dbraw/zinc/14/25/13/1123142513.db2.gz MJFFFUDPTUWQFM-CYBMUJFWSA-N 1 1 267.376 3.525 20 30 CHEDMO CC[N@H+](Cc1ccc2nc(C)ccc2c1)C[C@H](C)C#N ZINC000189743873 1123142516 /nfs/dbraw/zinc/14/25/16/1123142516.db2.gz MJFFFUDPTUWQFM-CYBMUJFWSA-N 1 1 267.376 3.525 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001201761552 1123147644 /nfs/dbraw/zinc/14/76/44/1123147644.db2.gz JJZGHKWEDPYWAN-AWEZNQCLSA-N 1 1 265.401 3.528 20 30 CHEDMO CCCCCCC[N@@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001201762649 1123148366 /nfs/dbraw/zinc/14/83/66/1123148366.db2.gz QIONFRFBFXHPHQ-OAHLLOKOSA-N 1 1 293.455 3.767 20 30 CHEDMO CCCCCCC[N@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001201762649 1123148368 /nfs/dbraw/zinc/14/83/68/1123148368.db2.gz QIONFRFBFXHPHQ-OAHLLOKOSA-N 1 1 293.455 3.767 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001201813691 1123151192 /nfs/dbraw/zinc/15/11/92/1123151192.db2.gz HZFAGOLVTBZRHV-QZTJIDSGSA-N 1 1 297.483 3.864 20 30 CHEDMO CCCCCCC[N@@H+](C1CCC1)C1CCOCC1 ZINC001201804827 1123151265 /nfs/dbraw/zinc/15/12/65/1123151265.db2.gz TVDSIHZBABFYIQ-UHFFFAOYSA-N 1 1 253.430 3.990 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001201787537 1123152394 /nfs/dbraw/zinc/15/23/94/1123152394.db2.gz DRNLANJQPMINAX-UHFFFAOYSA-N 1 1 289.467 3.873 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001201787234 1123152514 /nfs/dbraw/zinc/15/25/14/1123152514.db2.gz BAGOZWOCQOAJDS-QGZVFWFLSA-N 1 1 276.424 3.895 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@]12CCOC2 ZINC001201852629 1123152556 /nfs/dbraw/zinc/15/25/56/1123152556.db2.gz FMLQMXMSRRHCKD-MRXNPFEDSA-N 1 1 253.430 3.992 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001201839429 1123154076 /nfs/dbraw/zinc/15/40/76/1123154076.db2.gz CPTKCSQZZZZDAY-QGZVFWFLSA-N 1 1 294.483 3.728 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001201839488 1123154219 /nfs/dbraw/zinc/15/42/19/1123154219.db2.gz FPNPHFRRYDZODH-INIZCTEOSA-N 1 1 267.413 3.519 20 30 CHEDMO CCCCCCCC[N@H+]1CCCN(c2cccnc2)CC1 ZINC001201840344 1123154832 /nfs/dbraw/zinc/15/48/32/1123154832.db2.gz UYCPWXRKWWGYTC-UHFFFAOYSA-N 1 1 289.467 3.954 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001202095659 1123174575 /nfs/dbraw/zinc/17/45/75/1123174575.db2.gz BYKUNRVCVWACEQ-MRXNPFEDSA-N 1 1 286.419 3.838 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001202096798 1123175573 /nfs/dbraw/zinc/17/55/73/1123175573.db2.gz UBSBILJDHKOMKW-QGZVFWFLSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507783055 1123184804 /nfs/dbraw/zinc/18/48/04/1123184804.db2.gz KTGIPHXKAVAOJH-RTBURBONSA-N 1 1 298.430 3.751 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000776255470 1123188780 /nfs/dbraw/zinc/18/87/80/1123188780.db2.gz YJRZYQWWHPCUCT-UHFFFAOYSA-N 1 1 288.778 3.590 20 30 CHEDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000797526370 1123192177 /nfs/dbraw/zinc/19/21/77/1123192177.db2.gz NTUSLKWQVCMBLL-LBPRGKRZSA-N 1 1 290.794 3.640 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001252130127 1123225526 /nfs/dbraw/zinc/22/55/26/1123225526.db2.gz LNWBGPCABUKNAF-LSDHHAIUSA-N 1 1 289.410 3.829 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001252134864 1123227988 /nfs/dbraw/zinc/22/79/88/1123227988.db2.gz ZKTHKHSJVHRDOE-ROUUACIJSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@H](O)CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001252134864 1123227992 /nfs/dbraw/zinc/22/79/92/1123227992.db2.gz ZKTHKHSJVHRDOE-ROUUACIJSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@H](O)CN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001252134864 1123227995 /nfs/dbraw/zinc/22/79/95/1123227995.db2.gz ZKTHKHSJVHRDOE-ROUUACIJSA-N 1 1 298.515 3.512 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417776129 1123230560 /nfs/dbraw/zinc/23/05/60/1123230560.db2.gz PINDVMWIUCURHP-UHFFFAOYSA-N 1 1 288.435 3.567 20 30 CHEDMO Fc1c(C[NH2+]CC#Cc2ccccc2)cccc1OC1CC1 ZINC000850144655 1123244297 /nfs/dbraw/zinc/24/42/97/1123244297.db2.gz NPILMXLVYVTRPT-UHFFFAOYSA-N 1 1 295.357 3.508 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1OC ZINC000508030780 1123255927 /nfs/dbraw/zinc/25/59/27/1123255927.db2.gz ZOTSCKIGKNKGTP-UHFFFAOYSA-N 1 1 289.419 3.880 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428210823 1123281714 /nfs/dbraw/zinc/28/17/14/1123281714.db2.gz WEEFNHDFRGJGOA-CYBMUJFWSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(C#N)cc1F ZINC000850528999 1123283930 /nfs/dbraw/zinc/28/39/30/1123283930.db2.gz OTWOTDIFARNDQU-FJNPEDAXSA-N 1 1 296.345 3.526 20 30 CHEDMO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(C#N)cc1F ZINC000850529000 1123284224 /nfs/dbraw/zinc/28/42/24/1123284224.db2.gz OTWOTDIFARNDQU-NBHSMZAVSA-N 1 1 296.345 3.526 20 30 CHEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000155101998 1123332623 /nfs/dbraw/zinc/33/26/23/1123332623.db2.gz YWSFSYBJAIVFFB-HNNXBMFYSA-N 1 1 282.412 3.684 20 30 CHEDMO COc1cc(C[N@@H+](C)CCCc2ccccc2)ccc1C#N ZINC000442796756 1123339974 /nfs/dbraw/zinc/33/99/74/1123339974.db2.gz GPEKFFVMODZHNS-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442884220 1123346803 /nfs/dbraw/zinc/34/68/03/1123346803.db2.gz GRFLCZMCHKLMAX-WMLDXEAASA-N 1 1 256.393 3.987 20 30 CHEDMO COc1cc(C[N@H+]2CCCC3(CCCC3)C2)ccc1C#N ZINC000443068496 1123354430 /nfs/dbraw/zinc/35/44/30/1123354430.db2.gz NESDDDPIZHXGKD-UHFFFAOYSA-N 1 1 284.403 3.723 20 30 CHEDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1C)C[C@H](C)C#N ZINC000191054590 1123358449 /nfs/dbraw/zinc/35/84/49/1123358449.db2.gz KQWPLQPMAHWQBQ-LLVKDONJSA-N 1 1 284.325 3.995 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000191115543 1123382202 /nfs/dbraw/zinc/38/22/02/1123382202.db2.gz VCJHIROIVWYAFY-ZDUSSCGKSA-N 1 1 270.298 3.796 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2cccs2)oc1C ZINC000852097989 1123396734 /nfs/dbraw/zinc/39/67/34/1123396734.db2.gz BTKVBJNZOYRLKR-OAHLLOKOSA-N 1 1 274.389 3.603 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000443413398 1123398506 /nfs/dbraw/zinc/39/85/06/1123398506.db2.gz CEYDIQQWLJWCHO-JTQLQIEISA-N 1 1 270.298 3.605 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000443413398 1123398510 /nfs/dbraw/zinc/39/85/10/1123398510.db2.gz CEYDIQQWLJWCHO-JTQLQIEISA-N 1 1 270.298 3.605 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000852331655 1123403427 /nfs/dbraw/zinc/40/34/27/1123403427.db2.gz BPNMNPWTUWKKHJ-IEBWSBKVSA-N 1 1 295.430 3.828 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000852331655 1123403431 /nfs/dbraw/zinc/40/34/31/1123403431.db2.gz BPNMNPWTUWKKHJ-IEBWSBKVSA-N 1 1 295.430 3.828 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC2CCCCC2)C1 ZINC000852331870 1123403713 /nfs/dbraw/zinc/40/37/13/1123403713.db2.gz MPPJSRXDHORSJB-IBGZPJMESA-N 1 1 297.446 3.909 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC2CCCCC2)C1 ZINC000852331870 1123403714 /nfs/dbraw/zinc/40/37/14/1123403714.db2.gz MPPJSRXDHORSJB-IBGZPJMESA-N 1 1 297.446 3.909 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000852410606 1123404327 /nfs/dbraw/zinc/40/43/27/1123404327.db2.gz OGMOTGWCZKMLEJ-OAHLLOKOSA-N 1 1 281.403 3.726 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000852469094 1123405821 /nfs/dbraw/zinc/40/58/21/1123405821.db2.gz YIUWRXMIZCJHJQ-SFHVURJKSA-N 1 1 296.345 3.675 20 30 CHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000852469094 1123405824 /nfs/dbraw/zinc/40/58/24/1123405824.db2.gz YIUWRXMIZCJHJQ-SFHVURJKSA-N 1 1 296.345 3.675 20 30 CHEDMO C=CC[N@@H+](C[C@@]1(C)CC1(Cl)Cl)C(C)(C)C ZINC000852554369 1123408932 /nfs/dbraw/zinc/40/89/32/1123408932.db2.gz KNVJQODBVXAKIF-LLVKDONJSA-N 1 1 250.213 3.857 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc(Cl)c1 ZINC000852685085 1123411552 /nfs/dbraw/zinc/41/15/52/1123411552.db2.gz AIWUKNOXGZLWRF-OWCLPIDISA-N 1 1 277.795 3.556 20 30 CHEDMO C=CCCC[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168019847 1123411710 /nfs/dbraw/zinc/41/17/10/1123411710.db2.gz KMFGYOQOKDGJCY-IAGOWNOFSA-N 1 1 286.463 3.984 20 30 CHEDMO CCC(=[NH+]Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000759178721 1123412595 /nfs/dbraw/zinc/41/25/95/1123412595.db2.gz DLJPYRVOENDFSY-UHFFFAOYSA-N 1 1 267.376 3.979 20 30 CHEDMO CCCCCCCC[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000852743220 1123414791 /nfs/dbraw/zinc/41/47/91/1123414791.db2.gz BQBKXQHXPXFFPE-UHFFFAOYSA-N 1 1 292.471 3.752 20 30 CHEDMO CCCCCCCC[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000852743220 1123414793 /nfs/dbraw/zinc/41/47/93/1123414793.db2.gz BQBKXQHXPXFFPE-UHFFFAOYSA-N 1 1 292.471 3.752 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443601145 1123442648 /nfs/dbraw/zinc/44/26/48/1123442648.db2.gz GQMPXCRLYCULHI-UHFFFAOYSA-N 1 1 291.345 3.549 20 30 CHEDMO N#CCC[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000443639204 1123455014 /nfs/dbraw/zinc/45/50/14/1123455014.db2.gz NMVBURYBMKUXFZ-KRWDZBQOSA-N 1 1 256.393 3.777 20 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VTZSYTWQWLSSTI-PBHICJAKSA-N 1 1 256.393 3.763 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000428294437 1123509947 /nfs/dbraw/zinc/50/99/47/1123509947.db2.gz GHOUICGSUXVPPA-STQMWFEESA-N 1 1 260.356 3.565 20 30 CHEDMO Clc1ccc2c(c1Cl)CCC2=NNc1cc[nH+]cc1 ZINC000779809861 1129127170 /nfs/dbraw/zinc/12/71/70/1129127170.db2.gz WDTZAQSDFURMMX-UHFFFAOYSA-N 1 1 292.169 3.573 20 30 CHEDMO CC1CC([N@@H+](C)Cc2cc(Br)ccc2C#N)C1 ZINC001141894888 1123587930 /nfs/dbraw/zinc/58/79/30/1123587930.db2.gz UHGCFGRKXCHMRG-UHFFFAOYSA-N 1 1 293.208 3.551 20 30 CHEDMO CC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141897286 1123594572 /nfs/dbraw/zinc/59/45/72/1123594572.db2.gz MHJQCXYVYNWSPQ-JTQLQIEISA-N 1 1 281.197 3.551 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141897287 1123594853 /nfs/dbraw/zinc/59/48/53/1123594853.db2.gz MHJQCXYVYNWSPQ-SNVBAGLBSA-N 1 1 281.197 3.551 20 30 CHEDMO CC(C)(C#N)CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000157749959 1129133027 /nfs/dbraw/zinc/13/30/27/1129133027.db2.gz ZYHGPAQUIZHPOJ-UHFFFAOYSA-N 1 1 291.483 3.514 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017118 1123628788 /nfs/dbraw/zinc/62/87/88/1123628788.db2.gz KXMPOBMNJLKWHH-QGZVFWFLSA-N 1 1 286.419 3.768 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000216208940 1123634299 /nfs/dbraw/zinc/63/42/99/1123634299.db2.gz UFYSWWWMZNAALJ-ZDUSSCGKSA-N 1 1 294.826 3.873 20 30 CHEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(SC)n1 ZINC001141929381 1123643128 /nfs/dbraw/zinc/64/31/28/1123643128.db2.gz SPQWWVMXVDMPFP-UHFFFAOYSA-N 1 1 297.427 3.697 20 30 CHEDMO Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000428314543 1123649525 /nfs/dbraw/zinc/64/95/25/1123649525.db2.gz LCPDUWUVTSZAHE-LBPRGKRZSA-N 1 1 283.375 3.829 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(COC)cc1 ZINC000339012249 1123665487 /nfs/dbraw/zinc/66/54/87/1123665487.db2.gz WODBSWHZZCWZTH-UHFFFAOYSA-N 1 1 288.435 3.985 20 30 CHEDMO C=CCn1c(C)nn(C[N@@H+](CCCCC)C(C)C)c1=S 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N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000346961228 1123734732 /nfs/dbraw/zinc/73/47/32/1123734732.db2.gz FMSGCLFOZIKOAS-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000346961228 1123734736 /nfs/dbraw/zinc/73/47/36/1123734736.db2.gz FMSGCLFOZIKOAS-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000862445567 1123810692 /nfs/dbraw/zinc/81/06/92/1123810692.db2.gz XEIHZGXDNPHZFZ-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C#CC[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000862447536 1123810723 /nfs/dbraw/zinc/81/07/23/1123810723.db2.gz NSENZZYMMGXSIV-WBILKINKSA-N 1 1 283.415 3.582 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862447589 1123811030 /nfs/dbraw/zinc/81/10/30/1123811030.db2.gz OTOOECJWFVZLKD-SNVBAGLBSA-N 1 1 273.323 3.612 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000862444134 1123811127 /nfs/dbraw/zinc/81/11/27/1123811127.db2.gz YHFVKRWQNXYWON-NSHDSACASA-N 1 1 285.359 3.581 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000862445494 1123811589 /nfs/dbraw/zinc/81/15/89/1123811589.db2.gz VETDYRPSRVICSI-KRWDZBQOSA-N 1 1 271.404 3.581 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2COC)C1 ZINC000862447535 1123811913 /nfs/dbraw/zinc/81/19/13/1123811913.db2.gz NSENZZYMMGXSIV-TXQCQQFXSA-N 1 1 283.415 3.582 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCSC1 ZINC000475286097 1123833785 /nfs/dbraw/zinc/83/37/85/1123833785.db2.gz IPPQJPOWPMLQDM-MRXNPFEDSA-N 1 1 261.434 3.818 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001138718008 1129152522 /nfs/dbraw/zinc/15/25/22/1129152522.db2.gz VYGBJQZLUJGMDB-UHFFFAOYSA-N 1 1 259.393 3.798 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001252603122 1123939478 /nfs/dbraw/zinc/93/94/78/1123939478.db2.gz MCMOHUOZQNQPHU-GPANFISMSA-N 1 1 267.457 3.850 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000054272020 1123939854 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ZINC000897298745 1123992980 /nfs/dbraw/zinc/99/29/80/1123992980.db2.gz HZNPGOUXAMFMAA-AWEZNQCLSA-N 1 1 291.464 3.646 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303581616 1124007403 /nfs/dbraw/zinc/00/74/03/1124007403.db2.gz PAJWYKDNIRPOPV-ZDUSSCGKSA-N 1 1 270.214 3.717 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(OC)CC2)c1 ZINC000475554748 1124009358 /nfs/dbraw/zinc/00/93/58/1124009358.db2.gz JOLYPCHYMOOTQQ-SFHVURJKSA-N 1 1 289.419 3.642 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428358457 1124012400 /nfs/dbraw/zinc/01/24/00/1124012400.db2.gz HFQHSGATJZQJGA-CYBMUJFWSA-N 1 1 260.356 3.565 20 30 CHEDMO CCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866257687 1124042224 /nfs/dbraw/zinc/04/22/24/1124042224.db2.gz HGWWPWMTVYZSTL-DYVFJYSZSA-N 1 1 295.386 3.851 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)c1 ZINC000444688591 1124053226 /nfs/dbraw/zinc/05/32/26/1124053226.db2.gz CARSQAAFKDAZAG-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000444751005 1124059373 /nfs/dbraw/zinc/05/93/73/1124059373.db2.gz AMSRMGREDNEWPW-QGZVFWFLSA-N 1 1 256.393 3.621 20 30 CHEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccn1 ZINC000866390655 1124061246 /nfs/dbraw/zinc/06/12/46/1124061246.db2.gz PWABKCGZOZEISA-INIZCTEOSA-N 1 1 271.408 3.842 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](CC1CCC1)C(C)C ZINC000444770656 1124062238 /nfs/dbraw/zinc/06/22/38/1124062238.db2.gz FHIGNQYBUYCNOF-UHFFFAOYSA-N 1 1 272.392 3.577 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)s1 ZINC000717999940 1129164854 /nfs/dbraw/zinc/16/48/54/1129164854.db2.gz LPXAORJYSIMINY-QMMMGPOBSA-N 1 1 276.327 3.967 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000121592493 1124097504 /nfs/dbraw/zinc/09/75/04/1124097504.db2.gz RGGNAYGOIFKKMD-LSDHHAIUSA-N 1 1 292.423 3.803 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121613517 1124106490 /nfs/dbraw/zinc/10/64/90/1124106490.db2.gz ZYUQDUVZXAHMRM-LBPRGKRZSA-N 1 1 280.412 3.661 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1C(F)(F)F)[C@H](C)COC ZINC000621317735 1129166950 /nfs/dbraw/zinc/16/69/50/1129166950.db2.gz WRMVUQNKYCJHDL-GFCCVEGCSA-N 1 1 287.325 3.728 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428445282 1124114988 /nfs/dbraw/zinc/11/49/88/1124114988.db2.gz YIKBFQYUSFOLSR-CQSZACIVSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cn2c(n1)CCCC2 ZINC000925184263 1124116119 /nfs/dbraw/zinc/11/61/19/1124116119.db2.gz AGOCCBQSWQDHOY-KBPBESRZSA-N 1 1 294.402 3.503 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000446731196 1124119048 /nfs/dbraw/zinc/11/90/48/1124119048.db2.gz FKIBEFXABVMSRI-LJQANCHMSA-N 1 1 294.373 3.861 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000446765218 1124121381 /nfs/dbraw/zinc/12/13/81/1124121381.db2.gz NHMJBBNTANZZFH-CYBMUJFWSA-N 1 1 273.807 3.954 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000428454483 1124123465 /nfs/dbraw/zinc/12/34/65/1124123465.db2.gz RGJJPMDQGJHZCA-NVXWUHKLSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2cncs2)CCCC1(C)C ZINC000446827692 1124124402 /nfs/dbraw/zinc/12/44/02/1124124402.db2.gz PVIGZEPWNZLWCQ-CYBMUJFWSA-N 1 1 250.411 3.710 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(OC)c(O)c2)CCCC1(C)C ZINC000446831002 1124124489 /nfs/dbraw/zinc/12/44/89/1124124489.db2.gz ZIKKAVWWRIKDBZ-KRWDZBQOSA-N 1 1 289.419 3.968 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428461221 1124130174 /nfs/dbraw/zinc/13/01/74/1124130174.db2.gz IORKNOQYNJMRPA-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1ccccc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428461221 1124130175 /nfs/dbraw/zinc/13/01/75/1124130175.db2.gz IORKNOQYNJMRPA-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000429714043 1124133351 /nfs/dbraw/zinc/13/33/51/1124133351.db2.gz FYJJWODGWQSZEZ-ZFWWWQNUSA-N 1 1 292.810 3.733 20 30 CHEDMO CCc1cc(C[N@H+]2CCc3ccsc3C2)ccc1C#N ZINC001238777255 1131244238 /nfs/dbraw/zinc/24/42/38/1131244238.db2.gz CRYWJMRRXBIDIQ-UHFFFAOYSA-N 1 1 282.412 3.740 20 30 CHEDMO CCc1cc(C[N@@H+]2CCCC[C@H]2CC)ccc1C#N ZINC001238777168 1131245305 /nfs/dbraw/zinc/24/53/05/1131245305.db2.gz CPCKPXLSQMHMBH-QGZVFWFLSA-N 1 1 256.393 3.885 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238785740 1131247542 /nfs/dbraw/zinc/24/75/42/1131247542.db2.gz RCNQVDGQWCZYPM-GFCCVEGCSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238785740 1131247543 /nfs/dbraw/zinc/24/75/43/1131247543.db2.gz RCNQVDGQWCZYPM-GFCCVEGCSA-N 1 1 280.774 3.913 20 30 CHEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC1(C#N)CC1 ZINC001119318190 1131251466 /nfs/dbraw/zinc/25/14/66/1131251466.db2.gz XPCBWWMXHKBYMO-CQSZACIVSA-N 1 1 272.367 3.697 20 30 CHEDMO Cc1[nH+]c(N)ccc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238845072 1131255344 /nfs/dbraw/zinc/25/53/44/1131255344.db2.gz WAFYSUDRGRTSBJ-UHFFFAOYSA-N 1 1 277.249 3.530 20 30 CHEDMO N#Cc1ccccc1N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000525622806 1124453727 /nfs/dbraw/zinc/45/37/27/1124453727.db2.gz FZMCWLLZNOIRBQ-UHFFFAOYSA-N 1 1 297.446 3.651 20 30 CHEDMO C=CCCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447402727 1124471326 /nfs/dbraw/zinc/47/13/26/1124471326.db2.gz LTSAWLFRCIWQNM-MRXNPFEDSA-N 1 1 295.430 3.712 20 30 CHEDMO CCC[C@@]1(COC)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000447396419 1124471826 /nfs/dbraw/zinc/47/18/26/1124471826.db2.gz VSPZJVOESVLAEP-KRWDZBQOSA-N 1 1 280.456 3.988 20 30 CHEDMO Cc1nc(C[NH+]2CCC(CC#N)CC2)sc1C(C)(C)C ZINC001119804652 1131263698 /nfs/dbraw/zinc/26/36/98/1131263698.db2.gz APAILFLBTICHLI-UHFFFAOYSA-N 1 1 291.464 3.875 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCCc1c(F)cccc1Cl ZINC000447742543 1124521284 /nfs/dbraw/zinc/52/12/84/1124521284.db2.gz DBGMSERPAMVLHW-NSHDSACASA-N 1 1 268.763 3.503 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCCc1c(F)cccc1Cl ZINC000447742543 1124521289 /nfs/dbraw/zinc/52/12/89/1124521289.db2.gz DBGMSERPAMVLHW-NSHDSACASA-N 1 1 268.763 3.503 20 30 CHEDMO C[C@@H]([N@@H+](CCOCCC#N)Cc1ccccc1)C(C)(C)C ZINC000339097297 1124543313 /nfs/dbraw/zinc/54/33/13/1124543313.db2.gz STJWCYXFXVGPID-MRXNPFEDSA-N 1 1 288.435 3.853 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1csc(C#N)c1 ZINC001119970093 1131268834 /nfs/dbraw/zinc/26/88/34/1131268834.db2.gz OAROSDHDUCLUCZ-HNNXBMFYSA-N 1 1 271.389 3.598 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC001119970093 1131268836 /nfs/dbraw/zinc/26/88/36/1131268836.db2.gz OAROSDHDUCLUCZ-HNNXBMFYSA-N 1 1 271.389 3.598 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000448198260 1124570001 /nfs/dbraw/zinc/57/00/01/1124570001.db2.gz QVIQQFNPXGCRRV-HNNXBMFYSA-N 1 1 297.373 3.879 20 30 CHEDMO COc1ccccc1C=NOCc1c(C)cc(C)[nH+]c1C ZINC000871719808 1124633558 /nfs/dbraw/zinc/63/35/58/1124633558.db2.gz MXDGKNFFYDYJBC-UHFFFAOYSA-N 1 1 284.359 3.566 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872067658 1124673543 /nfs/dbraw/zinc/67/35/43/1124673543.db2.gz RJGGWDLUCXLMCH-ADLMAVQZSA-N 1 1 296.345 3.741 20 30 CHEDMO CC(C)(C#N)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449238018 1124677498 /nfs/dbraw/zinc/67/74/98/1124677498.db2.gz FBUJXLSHVHXJHL-UHFFFAOYSA-N 1 1 299.443 3.568 20 30 CHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000872175622 1124698350 /nfs/dbraw/zinc/69/83/50/1124698350.db2.gz KHHMRYLGTZKHKQ-LSJOCFKGSA-N 1 1 269.776 3.506 20 30 CHEDMO C#CCCCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872284070 1124702219 /nfs/dbraw/zinc/70/22/19/1124702219.db2.gz NTHAIDRMCLZWIT-KRWDZBQOSA-N 1 1 263.425 3.604 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1C(C)=CCC[C@H]1C ZINC000872417846 1124714152 /nfs/dbraw/zinc/71/41/52/1124714152.db2.gz QXZHYDFOQZNASX-GHMZBOCLSA-N 1 1 296.465 3.548 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000485868750 1124723522 /nfs/dbraw/zinc/72/35/22/1124723522.db2.gz KACPTDZDNJTMEK-GFCCVEGCSA-N 1 1 294.345 3.924 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000124295520 1124731963 /nfs/dbraw/zinc/73/19/63/1124731963.db2.gz XSSCGHGBNIHPIO-UHFFFAOYSA-N 1 1 295.007 3.945 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528648821 1124740237 /nfs/dbraw/zinc/74/02/37/1124740237.db2.gz JBCRSNQOIGLGTM-SFHVURJKSA-N 1 1 295.361 3.723 20 30 CHEDMO CC(C)CCc1ccc(NCc2nc(C#N)cs2)[nH+]c1 ZINC000449712109 1124846479 /nfs/dbraw/zinc/84/64/79/1124846479.db2.gz QCZLDPBWLJRSMW-UHFFFAOYSA-N 1 1 286.404 3.610 20 30 CHEDMO CCCCCCCCOC(=O)NCc1ccc(N)[nH+]c1C ZINC001239319950 1131316572 /nfs/dbraw/zinc/31/65/72/1131316572.db2.gz YEAVSYHVOKJRDR-UHFFFAOYSA-N 1 1 293.411 3.559 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1-n1cccn1)C(C)(C)C ZINC001137101940 1124930742 /nfs/dbraw/zinc/93/07/42/1124930742.db2.gz APUDRJWYOWKLQO-UHFFFAOYSA-N 1 1 269.392 3.659 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2ncccc12 ZINC000876529903 1124959706 /nfs/dbraw/zinc/95/97/06/1124959706.db2.gz LOCIRBSODDCCSH-UHFFFAOYSA-N 1 1 267.376 3.606 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450270440 1124966555 /nfs/dbraw/zinc/96/65/55/1124966555.db2.gz RSWFARKJAGVLHK-INIZCTEOSA-N 1 1 254.377 3.826 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876683254 1124971651 /nfs/dbraw/zinc/97/16/51/1124971651.db2.gz RCLWQUPPTRGSLW-ZDUSSCGKSA-N 1 1 277.799 3.617 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000876749115 1124974995 /nfs/dbraw/zinc/97/49/95/1124974995.db2.gz KEAUFSCSQIBUED-QAPCUYQASA-N 1 1 285.435 3.829 20 30 CHEDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)CC2 ZINC000877015140 1124997828 /nfs/dbraw/zinc/99/78/28/1124997828.db2.gz GKABZWQWGGWXOC-MRXNPFEDSA-N 1 1 297.789 3.692 20 30 CHEDMO N#CC1(C[N@H+](Cc2ccccc2)CC2CCOCC2)CCC1 ZINC000450386860 1125007954 /nfs/dbraw/zinc/00/79/54/1125007954.db2.gz FTMOWRLPXSYLMD-UHFFFAOYSA-N 1 1 298.430 3.609 20 30 CHEDMO CC[N@H+](CCC#N)CCc1c(Cl)cccc1Cl ZINC000450462541 1125027992 /nfs/dbraw/zinc/02/79/92/1125027992.db2.gz HFVLXVFZDLAIAP-UHFFFAOYSA-N 1 1 271.191 3.771 20 30 CHEDMO CC[N@@H+](CCC#N)CCc1c(Cl)cccc1Cl ZINC000450462541 1125028001 /nfs/dbraw/zinc/02/80/01/1125028001.db2.gz HFVLXVFZDLAIAP-UHFFFAOYSA-N 1 1 271.191 3.771 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000877405739 1125028114 /nfs/dbraw/zinc/02/81/14/1125028114.db2.gz LXBCPHJUGBMGJO-AWEZNQCLSA-N 1 1 294.489 3.817 20 30 CHEDMO C#CCCCCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000877405739 1125028119 /nfs/dbraw/zinc/02/81/19/1125028119.db2.gz LXBCPHJUGBMGJO-AWEZNQCLSA-N 1 1 294.489 3.817 20 30 CHEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137121529 1125036678 /nfs/dbraw/zinc/03/66/78/1125036678.db2.gz POFVKDAQSXKNBB-VMPITWQZSA-N 1 1 292.382 3.734 20 30 CHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877509390 1125036920 /nfs/dbraw/zinc/03/69/20/1125036920.db2.gz JODHAZPVDBFOET-FZMZJTMJSA-N 1 1 277.799 3.617 20 30 CHEDMO N#Cc1cnc(Cl)c(C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000877624161 1125055287 /nfs/dbraw/zinc/05/52/87/1125055287.db2.gz LSZSFRXOUPWTSQ-UHFFFAOYSA-N 1 1 289.810 3.619 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000877810462 1125084025 /nfs/dbraw/zinc/08/40/25/1125084025.db2.gz GGHVFICIWXYWHS-CRAIPNDOSA-N 1 1 268.404 3.516 20 30 CHEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1(CC#N)CC1 ZINC000877922104 1125102889 /nfs/dbraw/zinc/10/28/89/1125102889.db2.gz QFIRWXKLDCFORU-UHFFFAOYSA-N 1 1 297.446 3.803 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000877990824 1125111135 /nfs/dbraw/zinc/11/11/35/1125111135.db2.gz XCLCCOYYFOPKCR-UHFFFAOYSA-N 1 1 264.413 3.970 20 30 CHEDMO N#CCC1(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000878101509 1125120752 /nfs/dbraw/zinc/12/07/52/1125120752.db2.gz SMEVKTAZJUMUEF-HNNXBMFYSA-N 1 1 276.330 3.796 20 30 CHEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159771 1125126287 /nfs/dbraw/zinc/12/62/87/1125126287.db2.gz UIOOQEWDQIXRKF-ROUUACIJSA-N 1 1 284.403 3.532 20 30 CHEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159771 1125126290 /nfs/dbraw/zinc/12/62/90/1125126290.db2.gz UIOOQEWDQIXRKF-ROUUACIJSA-N 1 1 284.403 3.532 20 30 CHEDMO CC[N@H+](CCC#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878159717 1125126392 /nfs/dbraw/zinc/12/63/92/1125126392.db2.gz SHBFVTZWSGDPNN-IAGOWNOFSA-N 1 1 272.392 3.532 20 30 CHEDMO CC[N@@H+](CCC#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878159717 1125126395 /nfs/dbraw/zinc/12/63/95/1125126395.db2.gz SHBFVTZWSGDPNN-IAGOWNOFSA-N 1 1 272.392 3.532 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCO[C@H](C)C1 ZINC001168127232 1125134272 /nfs/dbraw/zinc/13/42/72/1125134272.db2.gz DSVGADSWQDBMKG-NVXWUHKLSA-N 1 1 259.393 3.632 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000878400269 1125149274 /nfs/dbraw/zinc/14/92/74/1125149274.db2.gz ABLSONIWAPSVKI-RYUDHWBXSA-N 1 1 287.329 3.503 20 30 CHEDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 ZINC000530714328 1125173734 /nfs/dbraw/zinc/17/37/34/1125173734.db2.gz DVQVFHVYUJGCEL-RBUKOAKNSA-N 1 1 299.462 3.548 20 30 CHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000530725454 1125176719 /nfs/dbraw/zinc/17/67/19/1125176719.db2.gz PWBCGLBXPVYTEA-KXBFYZLASA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878992483 1125188603 /nfs/dbraw/zinc/18/86/03/1125188603.db2.gz ZNPYWRVXMDTWRD-KZNAEPCWSA-N 1 1 284.403 3.532 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878992483 1125188607 /nfs/dbraw/zinc/18/86/07/1125188607.db2.gz ZNPYWRVXMDTWRD-KZNAEPCWSA-N 1 1 284.403 3.532 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000530950222 1125189599 /nfs/dbraw/zinc/18/95/99/1125189599.db2.gz SUFPQGLKFCOLNX-PKOBYXMFSA-N 1 1 286.463 3.938 20 30 CHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000531202574 1125200556 /nfs/dbraw/zinc/20/05/56/1125200556.db2.gz GMZJYQCREVOROY-HNAYVOBHSA-N 1 1 276.383 3.936 20 30 CHEDMO C#CCCCCCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879209339 1125203034 /nfs/dbraw/zinc/20/30/34/1125203034.db2.gz JIDRTWHHTWMTOY-UHFFFAOYSA-N 1 1 276.468 3.520 20 30 CHEDMO CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000879307971 1125207893 /nfs/dbraw/zinc/20/78/93/1125207893.db2.gz GSKDGXTWSQMXLB-NVXWUHKLSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000879307971 1125207897 /nfs/dbraw/zinc/20/78/97/1125207897.db2.gz GSKDGXTWSQMXLB-NVXWUHKLSA-N 1 1 272.392 3.598 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000879731191 1125228641 /nfs/dbraw/zinc/22/86/41/1125228641.db2.gz JELMMKOETRDXIO-BRWVUGGUSA-N 1 1 298.430 3.957 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000532292785 1125247231 /nfs/dbraw/zinc/24/72/31/1125247231.db2.gz RSVINWVVFRHDFX-IBGZPJMESA-N 1 1 276.383 3.722 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000880237284 1125258361 /nfs/dbraw/zinc/25/83/61/1125258361.db2.gz UKYUKIVCIOIPHX-OAHLLOKOSA-N 1 1 274.383 3.669 20 30 CHEDMO N#CC1(CC[N@@H+]2CCC[C@@H](CF)C2)CCCCC1 ZINC000880237882 1125258623 /nfs/dbraw/zinc/25/86/23/1125258623.db2.gz JWUFHDONHZXYPM-AWEZNQCLSA-N 1 1 252.377 3.532 20 30 CHEDMO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000880377632 1125270299 /nfs/dbraw/zinc/27/02/99/1125270299.db2.gz BFMUAADCHSTKHC-CYBMUJFWSA-N 1 1 298.411 3.770 20 30 CHEDMO CSCC[C@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000235054045 1125334021 /nfs/dbraw/zinc/33/40/21/1125334021.db2.gz AXBLMLNXQQDXQW-ZDUSSCGKSA-N 1 1 256.459 3.780 20 30 CHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399269249 1125339096 /nfs/dbraw/zinc/33/90/96/1125339096.db2.gz SYFPALAIQJOSJA-QGZVFWFLSA-N 1 1 256.393 3.763 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168178277 1125341845 /nfs/dbraw/zinc/34/18/45/1125341845.db2.gz BUAHXKQJOFNLTN-CYBMUJFWSA-N 1 1 264.800 3.897 20 30 CHEDMO CCc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000191224540 1125346540 /nfs/dbraw/zinc/34/65/40/1125346540.db2.gz GVIGSQUWBWBLDM-UHFFFAOYSA-N 1 1 293.414 3.624 20 30 CHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001168181037 1125348479 /nfs/dbraw/zinc/34/84/79/1125348479.db2.gz WGISQQXYMIERAD-UKRRQHHQSA-N 1 1 276.811 3.897 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)c1C ZINC000191394703 1125360307 /nfs/dbraw/zinc/36/03/07/1125360307.db2.gz KOWZDPANHPZPTG-LJQANCHMSA-N 1 1 293.414 3.851 20 30 CHEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000016420376 1125364832 /nfs/dbraw/zinc/36/48/32/1125364832.db2.gz RZHTUFSUMLKZON-CYBMUJFWSA-N 1 1 295.342 3.659 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1O ZINC000130762046 1125368301 /nfs/dbraw/zinc/36/83/01/1125368301.db2.gz KQICZZXUNZUCHV-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001168192163 1125376556 /nfs/dbraw/zinc/37/65/56/1125376556.db2.gz NNWALVNPHXOQPN-WFASDCNBSA-N 1 1 262.784 3.507 20 30 CHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000883207130 1125378000 /nfs/dbraw/zinc/37/80/00/1125378000.db2.gz GZWIXKPQQMMVPS-MAUKXSAKSA-N 1 1 297.446 3.816 20 30 CHEDMO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(Cl)n1 ZINC000883302106 1125393015 /nfs/dbraw/zinc/39/30/15/1125393015.db2.gz QGMTVNYOZGQETL-MRXNPFEDSA-N 1 1 297.789 3.692 20 30 CHEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352853318 1125398357 /nfs/dbraw/zinc/39/83/57/1125398357.db2.gz NJQYSHDGCPRHKY-ZDUSSCGKSA-N 1 1 291.807 3.909 20 30 CHEDMO CC(C)C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352834356 1125399086 /nfs/dbraw/zinc/39/90/86/1125399086.db2.gz LKKFFZNIXQVWAS-OAHLLOKOSA-N 1 1 285.416 3.892 20 30 CHEDMO Cc1cc([NH+]2CCCC2)ccc1NCc1nc(C#N)cs1 ZINC000352839998 1125399420 /nfs/dbraw/zinc/39/94/20/1125399420.db2.gz SYGHWEHCZSXXQO-UHFFFAOYSA-N 1 1 298.415 3.536 20 30 CHEDMO N#CCCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385819 1125454443 /nfs/dbraw/zinc/45/44/43/1125454443.db2.gz SMKWBFXVQSGYEW-QGZVFWFLSA-N 1 1 267.376 3.999 20 30 CHEDMO C[C@@H]1Cc2[nH+]cn(CCCC(C)(C)C#N)c2C[C@H]1C ZINC000295911335 1129219405 /nfs/dbraw/zinc/21/94/05/1129219405.db2.gz IYCRXKWUNRFVPV-CHWSQXEVSA-N 1 1 259.397 3.584 20 30 CHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000246128881 1129254627 /nfs/dbraw/zinc/25/46/27/1129254627.db2.gz ZIPGLEIVZWJKHQ-RBUKOAKNSA-N 1 1 298.430 3.636 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000347971724 1129273009 /nfs/dbraw/zinc/27/30/09/1129273009.db2.gz XYQQHYISMPBKLO-LBPRGKRZSA-N 1 1 269.335 3.550 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CCCC2(CCC2)O1 ZINC001307620442 1129277040 /nfs/dbraw/zinc/27/70/40/1129277040.db2.gz GXKVNFDVUYJHCX-KRWDZBQOSA-N 1 1 289.419 3.802 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(CC)o1 ZINC000348065438 1129279197 /nfs/dbraw/zinc/27/91/97/1129279197.db2.gz ZJIAXGJLCCQOBK-HNNXBMFYSA-N 1 1 263.381 3.572 20 30 CHEDMO C=C(Br)C[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000734058601 1129291809 /nfs/dbraw/zinc/29/18/09/1129291809.db2.gz UCSNJCJVHMMLCO-AWEZNQCLSA-N 1 1 280.209 3.904 20 30 CHEDMO C=C(Br)C[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000734058601 1129291814 /nfs/dbraw/zinc/29/18/14/1129291814.db2.gz UCSNJCJVHMMLCO-AWEZNQCLSA-N 1 1 280.209 3.904 20 30 CHEDMO C=CCCC[N@H+](C)Cn1c2ccccc2oc1=S ZINC000736590609 1129376815 /nfs/dbraw/zinc/37/68/15/1129376815.db2.gz YVJZLQYUVTYEMG-UHFFFAOYSA-N 1 1 262.378 3.819 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000092009790 1129377693 /nfs/dbraw/zinc/37/76/93/1129377693.db2.gz YKDZTQWBOIHFIA-HNNXBMFYSA-N 1 1 297.446 3.799 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738225842 1129390778 /nfs/dbraw/zinc/39/07/78/1129390778.db2.gz VFGWYNSAEYBCDH-HNNXBMFYSA-N 1 1 294.402 3.644 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)ccc1O ZINC000092504518 1129396852 /nfs/dbraw/zinc/39/68/52/1129396852.db2.gz GLUPTLWVUWXBEW-UHFFFAOYSA-N 1 1 292.382 3.761 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000739913521 1129409053 /nfs/dbraw/zinc/40/90/53/1129409053.db2.gz KUQWQBXKMSXWLC-UHFFFAOYSA-N 1 1 282.334 3.660 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000739913521 1129409054 /nfs/dbraw/zinc/40/90/54/1129409054.db2.gz KUQWQBXKMSXWLC-UHFFFAOYSA-N 1 1 282.334 3.660 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccccc1F ZINC000739929592 1129409983 /nfs/dbraw/zinc/40/99/83/1129409983.db2.gz FIEGFOYYGXOCGA-INIZCTEOSA-N 1 1 265.372 3.537 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC000739914840 1129410025 /nfs/dbraw/zinc/41/00/25/1129410025.db2.gz PBIFCNYZSVXSGN-UHFFFAOYSA-N 1 1 274.408 3.845 20 30 CHEDMO CCOc1ccc(O)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000093100921 1129417147 /nfs/dbraw/zinc/41/71/47/1129417147.db2.gz FCLIXLCFRJXASJ-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CCOc1ccc(O)c(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000093100921 1129417149 /nfs/dbraw/zinc/41/71/49/1129417149.db2.gz FCLIXLCFRJXASJ-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000093101176 1129417469 /nfs/dbraw/zinc/41/74/69/1129417469.db2.gz ZHGIJLUXEVBTNP-UHFFFAOYSA-N 1 1 280.799 3.807 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000093101176 1129417472 /nfs/dbraw/zinc/41/74/72/1129417472.db2.gz ZHGIJLUXEVBTNP-UHFFFAOYSA-N 1 1 280.799 3.807 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000740875961 1129421736 /nfs/dbraw/zinc/42/17/36/1129421736.db2.gz JVLUOHASAUOVGV-HNNXBMFYSA-N 1 1 298.471 3.803 20 30 CHEDMO CCCCCCC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000740875137 1129421870 /nfs/dbraw/zinc/42/18/70/1129421870.db2.gz HHYPLBKYQUWGLQ-KRWDZBQOSA-N 1 1 288.435 3.520 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000740875896 1129421892 /nfs/dbraw/zinc/42/18/92/1129421892.db2.gz KZYBEQZPBFONKA-FGTMMUONSA-N 1 1 296.499 3.530 20 30 CHEDMO CCCCCCCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000740877050 1129422455 /nfs/dbraw/zinc/42/24/55/1129422455.db2.gz WRCJHZVFNFXNAN-UHFFFAOYSA-N 1 1 253.390 3.563 20 30 CHEDMO CCCCCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000740878427 1129422881 /nfs/dbraw/zinc/42/28/81/1129422881.db2.gz FBVYMXRLXMTBRK-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCC[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000740878427 1129422882 /nfs/dbraw/zinc/42/28/82/1129422882.db2.gz FBVYMXRLXMTBRK-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(C2CCCC2)CC1 ZINC000740878427 1129422884 /nfs/dbraw/zinc/42/28/84/1129422884.db2.gz FBVYMXRLXMTBRK-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093444071 1129424097 /nfs/dbraw/zinc/42/40/97/1129424097.db2.gz UPRAPOMURATILH-YJBOKZPZSA-N 1 1 286.419 3.988 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248737907 1129427129 /nfs/dbraw/zinc/42/71/29/1129427129.db2.gz PGPHENBPESBZSQ-HZPDHXFCSA-N 1 1 277.408 3.914 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000093872412 1129429467 /nfs/dbraw/zinc/42/94/67/1129429467.db2.gz AJJCYXNRMUWNBX-RTBURBONSA-N 1 1 292.382 3.664 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000093872412 1129429469 /nfs/dbraw/zinc/42/94/69/1129429469.db2.gz AJJCYXNRMUWNBX-RTBURBONSA-N 1 1 292.382 3.664 20 30 CHEDMO C=CCCOC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000741337313 1129434020 /nfs/dbraw/zinc/43/40/20/1129434020.db2.gz GJWYSXVBRNMDMU-UHFFFAOYSA-N 1 1 275.392 3.651 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1 ZINC000249428066 1129447462 /nfs/dbraw/zinc/44/74/62/1129447462.db2.gz JEIYTUQOLKSQKN-LSDHHAIUSA-N 1 1 272.392 3.599 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000741808740 1129453967 /nfs/dbraw/zinc/45/39/67/1129453967.db2.gz FCULFHBZMKLKQK-KBPBESRZSA-N 1 1 271.832 3.799 20 30 CHEDMO CCCCCCCCC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000742915468 1129505698 /nfs/dbraw/zinc/50/56/98/1129505698.db2.gz LTVOCJDGTDCDOW-MRXNPFEDSA-N 1 1 282.472 3.537 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743261745 1129518495 /nfs/dbraw/zinc/51/84/95/1129518495.db2.gz OTDIWQLHYILYBH-LJQANCHMSA-N 1 1 281.399 3.717 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117707 1129524074 /nfs/dbraw/zinc/52/40/74/1129524074.db2.gz NFQUVVQMNDCWCU-MSOLQXFVSA-N 1 1 283.415 3.707 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000743870608 1129542034 /nfs/dbraw/zinc/54/20/34/1129542034.db2.gz YZIMUZCNIJSAAS-UHFFFAOYSA-N 1 1 286.378 3.870 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2n1 ZINC000743870608 1129542037 /nfs/dbraw/zinc/54/20/37/1129542037.db2.gz YZIMUZCNIJSAAS-UHFFFAOYSA-N 1 1 286.378 3.870 20 30 CHEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743873711 1129543193 /nfs/dbraw/zinc/54/31/93/1129543193.db2.gz RYXULRLAFYNJNB-CHWSQXEVSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC001258719714 1129547516 /nfs/dbraw/zinc/54/75/16/1129547516.db2.gz JPDNITPVQVWLBV-MJBXVCDLSA-N 1 1 269.429 3.687 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCc2ccccc21 ZINC000744388826 1129574862 /nfs/dbraw/zinc/57/48/62/1129574862.db2.gz WHROPCVSMQLSGJ-QGZVFWFLSA-N 1 1 296.801 3.858 20 30 CHEDMO C#CC[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCc2ccccc21 ZINC000744388826 1129574865 /nfs/dbraw/zinc/57/48/65/1129574865.db2.gz WHROPCVSMQLSGJ-QGZVFWFLSA-N 1 1 296.801 3.858 20 30 CHEDMO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccc(Cl)cc1F ZINC000822481260 1131383252 /nfs/dbraw/zinc/38/32/52/1131383252.db2.gz OBKBMFNJFCZRGS-MJBXVCDLSA-N 1 1 283.799 3.637 20 30 CHEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001258732040 1129597929 /nfs/dbraw/zinc/59/79/29/1129597929.db2.gz ICKNVFSPMHDTQQ-UONOGXRCSA-N 1 1 267.413 3.537 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000828428294 1131386349 /nfs/dbraw/zinc/38/63/49/1131386349.db2.gz JSYORUPYHHOXNM-GJZGRUSLSA-N 1 1 296.455 3.720 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000746454276 1129664378 /nfs/dbraw/zinc/66/43/78/1129664378.db2.gz SNVKFUGHZPCHCW-OAHLLOKOSA-N 1 1 263.429 3.950 20 30 CHEDMO C#Cc1cccc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000766447450 1129667636 /nfs/dbraw/zinc/66/76/36/1129667636.db2.gz QXXSQLXVJDXQCN-UZLBHIALSA-N 1 1 290.410 3.915 20 30 CHEDMO CC(C)O[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000649703295 1129671777 /nfs/dbraw/zinc/67/17/77/1129671777.db2.gz ZSPWUZJLFCWSGZ-KRWDZBQOSA-N 1 1 291.822 3.581 20 30 CHEDMO C=CCC[C@H](C)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001258736599 1129682411 /nfs/dbraw/zinc/68/24/11/1129682411.db2.gz XHAMCABBWDNFNE-HNNXBMFYSA-N 1 1 264.457 3.680 20 30 CHEDMO C=C[C@H](O)C[N@H+](C)Cc1sc2ccccc2c1Cl ZINC001253583321 1129710497 /nfs/dbraw/zinc/71/04/97/1129710497.db2.gz FLLKLGMUQQWHMV-JTQLQIEISA-N 1 1 281.808 3.533 20 30 CHEDMO C=CC[C@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC001169243229 1129712396 /nfs/dbraw/zinc/71/23/96/1129712396.db2.gz LPLPPSODXLMYPW-JTQLQIEISA-N 1 1 286.188 3.985 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@H]1CCCC[C@@H]1CC ZINC001169331195 1129718325 /nfs/dbraw/zinc/71/83/25/1129718325.db2.gz HMXIMEPEOFUXIA-RYUDHWBXSA-N 1 1 260.219 3.796 20 30 CHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2CCCOC2)cc1 ZINC001169667370 1129746012 /nfs/dbraw/zinc/74/60/12/1129746012.db2.gz IXFHQICGBAUKHB-ROUUACIJSA-N 1 1 286.419 3.600 20 30 CHEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000651790346 1129748839 /nfs/dbraw/zinc/74/88/39/1129748839.db2.gz TVGUNLZLGXBJQV-MISYRCLQSA-N 1 1 298.474 3.843 20 30 CHEDMO Cc1cc2cc[nH+]c(NC34CCC(C#N)(CC3)CC4)c2[nH]1 ZINC001169746839 1129751809 /nfs/dbraw/zinc/75/18/09/1129751809.db2.gz QMBCYEPZGFLFIV-UHFFFAOYSA-N 1 1 280.375 3.900 20 30 CHEDMO Cc1cc[nH+]c(C)c1NC12CCC(C#N)(CC1)CC2 ZINC001169750207 1129752745 /nfs/dbraw/zinc/75/27/45/1129752745.db2.gz SOLTVFRBHZSZAA-UHFFFAOYSA-N 1 1 255.365 3.727 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@@H]2CC(C)(C)CO2)CCCC1(C)C ZINC001169844609 1129759833 /nfs/dbraw/zinc/75/98/33/1129759833.db2.gz OIHCKOTZNKQMQD-GJZGRUSLSA-N 1 1 265.441 3.868 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@H]2CC(C)(C)CO2)CCCC1(C)C ZINC001169844608 1129760325 /nfs/dbraw/zinc/76/03/25/1129760325.db2.gz OIHCKOTZNKQMQD-CABCVRRESA-N 1 1 265.441 3.868 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001169843723 1129760456 /nfs/dbraw/zinc/76/04/56/1129760456.db2.gz IXCJWEOBYHCKBY-CYBMUJFWSA-N 1 1 255.386 3.869 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCO[C@H]1CCCC[C@H]1C ZINC001169862353 1129762556 /nfs/dbraw/zinc/76/25/56/1129762556.db2.gz DRJMZJYLLTXTBM-OAGGEKHMSA-N 1 1 251.414 3.622 20 30 CHEDMO C#CCCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000766895736 1129768713 /nfs/dbraw/zinc/76/87/13/1129768713.db2.gz RUSJJVRQGNJULW-OAHLLOKOSA-N 1 1 271.404 3.709 20 30 CHEDMO C#CCCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000766895882 1129768911 /nfs/dbraw/zinc/76/89/11/1129768911.db2.gz ULTUFVOZRUYMEV-UHFFFAOYSA-N 1 1 253.345 3.695 20 30 CHEDMO C#CCCC[N@@H+](CC=C)Cc1ccc(Cl)s1 ZINC000766895826 1129768979 /nfs/dbraw/zinc/76/89/79/1129768979.db2.gz IUNJNYMQRZHRMS-UHFFFAOYSA-N 1 1 253.798 3.803 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000766896235 1129769198 /nfs/dbraw/zinc/76/91/98/1129769198.db2.gz YGQHURZPXVNYDY-HNNXBMFYSA-N 1 1 292.220 3.999 20 30 CHEDMO C#CCCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000766913377 1129769212 /nfs/dbraw/zinc/76/92/12/1129769212.db2.gz PILWXNBLRXNNEN-UHFFFAOYSA-N 1 1 282.362 3.810 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000766987925 1129771513 /nfs/dbraw/zinc/77/15/13/1129771513.db2.gz IEFSTDPMQFBMAH-CHWSQXEVSA-N 1 1 292.810 3.720 20 30 CHEDMO C=CCCn1cc(C[N@H+](Cc2ccccc2)[C@@H](C)CC)nn1 ZINC000653489168 1129781940 /nfs/dbraw/zinc/78/19/40/1129781940.db2.gz LEYBYBBODOWEHE-INIZCTEOSA-N 1 1 298.434 3.655 20 30 CHEDMO C=CCCn1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)CC)nn1 ZINC000653489168 1129781943 /nfs/dbraw/zinc/78/19/43/1129781943.db2.gz LEYBYBBODOWEHE-INIZCTEOSA-N 1 1 298.434 3.655 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000768154470 1129836039 /nfs/dbraw/zinc/83/60/39/1129836039.db2.gz UESJXODYIBMESP-IAGOWNOFSA-N 1 1 256.393 3.662 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccccc1C1CC1 ZINC000768153619 1129836241 /nfs/dbraw/zinc/83/62/41/1129836241.db2.gz HTRHNEJCYCUAJV-UHFFFAOYSA-N 1 1 256.393 3.936 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001204369773 1129846320 /nfs/dbraw/zinc/84/63/20/1129846320.db2.gz CRINQKSHMSUDDA-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001204369773 1129846323 /nfs/dbraw/zinc/84/63/23/1129846323.db2.gz CRINQKSHMSUDDA-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000768408632 1129854848 /nfs/dbraw/zinc/85/48/48/1129854848.db2.gz CLSCJZHEQBBIPZ-KRWDZBQOSA-N 1 1 291.435 3.602 20 30 CHEDMO CCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC(C)C ZINC000768480019 1129857475 /nfs/dbraw/zinc/85/74/75/1129857475.db2.gz WSTWVHYAFOFUAB-HNNXBMFYSA-N 1 1 274.408 3.845 20 30 CHEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000768547965 1129863274 /nfs/dbraw/zinc/86/32/74/1129863274.db2.gz UTWWCMYPPXBNNW-UHFFFAOYSA-N 1 1 283.419 3.886 20 30 CHEDMO C=CC[N@@H+](Cc1nc2ccccc2n1CCC)C(C)C ZINC000768548272 1129863809 /nfs/dbraw/zinc/86/38/09/1129863809.db2.gz ZRYURLVKAPAWFQ-UHFFFAOYSA-N 1 1 271.408 3.843 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccccc2n1CCC)C(C)C ZINC000768548272 1129863816 /nfs/dbraw/zinc/86/38/16/1129863816.db2.gz ZRYURLVKAPAWFQ-UHFFFAOYSA-N 1 1 271.408 3.843 20 30 CHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c(C#N)c1 ZINC001137703830 1131403694 /nfs/dbraw/zinc/40/36/94/1131403694.db2.gz WDEUVDTWKPVKRP-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c(C#N)c1 ZINC001137703830 1131403697 /nfs/dbraw/zinc/40/36/97/1131403697.db2.gz WDEUVDTWKPVKRP-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(C#N)c1 ZINC001137704792 1131403828 /nfs/dbraw/zinc/40/38/28/1131403828.db2.gz VSWQIPJLVBROTR-CABCVRRESA-N 1 1 284.403 3.579 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1C#N)C1CCCCC1 ZINC001137698433 1131403986 /nfs/dbraw/zinc/40/39/86/1131403986.db2.gz XFICLFSMKVTUME-UHFFFAOYSA-N 1 1 272.392 3.721 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1C#N ZINC001137703106 1131404262 /nfs/dbraw/zinc/40/42/62/1131404262.db2.gz DPYKHBDHGNJCGH-INIZCTEOSA-N 1 1 272.392 3.721 20 30 CHEDMO COc1ccc(C[N@@H+]2CCCc3ccccc3C2)c(C#N)c1 ZINC001137704770 1131404629 /nfs/dbraw/zinc/40/46/29/1131404629.db2.gz VALMBKKUURNGCD-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO COc1ccc(C[N@H+]2CCCc3ccccc3C2)c(C#N)c1 ZINC001137704770 1131404631 /nfs/dbraw/zinc/40/46/31/1131404631.db2.gz VALMBKKUURNGCD-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1ccn(C)n1 ZINC000768989882 1129884553 /nfs/dbraw/zinc/88/45/53/1129884553.db2.gz CSPNNNDLVUKWIP-UHFFFAOYSA-N 1 1 251.418 3.603 20 30 CHEDMO CCCCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246217380 1131405500 /nfs/dbraw/zinc/40/55/00/1131405500.db2.gz FXZBVDBGZDFYIQ-KURKYZTESA-N 1 1 298.515 3.608 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769416843 1129907385 /nfs/dbraw/zinc/90/73/85/1129907385.db2.gz MMJVRFDOCWYTEH-INIZCTEOSA-N 1 1 285.435 3.801 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C ZINC000769954877 1129931723 /nfs/dbraw/zinc/93/17/23/1129931723.db2.gz XXJOWRAVHLXWBJ-CABCVRRESA-N 1 1 291.435 3.539 20 30 CHEDMO C=CC[C@H]1[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C ZINC000769954890 1129931744 /nfs/dbraw/zinc/93/17/44/1129931744.db2.gz XXJOWRAVHLXWBJ-LSDHHAIUSA-N 1 1 291.435 3.539 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2c(C)nn(C)c2Cl)CCCC1(C)C ZINC000769953779 1129931794 /nfs/dbraw/zinc/93/17/94/1129931794.db2.gz PRLFLXVYDKPUBY-AWEZNQCLSA-N 1 1 295.858 3.949 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccccc2)CCCC1(C)C ZINC000769953751 1129932172 /nfs/dbraw/zinc/93/21/72/1129932172.db2.gz PJSBFKOHBVUBNW-IRXDYDNUSA-N 1 1 273.420 3.787 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000770025058 1129936869 /nfs/dbraw/zinc/93/68/69/1129936869.db2.gz CPWVYPMWYOESTD-MRXNPFEDSA-N 1 1 277.456 3.960 20 30 CHEDMO C#CCOc1ccc(CNc2cccc3cc[nH+]cc32)cc1 ZINC000770571598 1129951259 /nfs/dbraw/zinc/95/12/59/1129951259.db2.gz RRHWGGUBADEDQX-UHFFFAOYSA-N 1 1 288.350 3.859 20 30 CHEDMO CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc2ccccc2c1 ZINC000801915751 1129957959 /nfs/dbraw/zinc/95/79/59/1129957959.db2.gz NTWGGSBZSWHBCP-HNNXBMFYSA-N 1 1 282.387 3.590 20 30 CHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCO[C@@H](C)C#N ZINC000801915214 1129958054 /nfs/dbraw/zinc/95/80/54/1129958054.db2.gz LATMHDCKTPWSPR-JQHSSLGASA-N 1 1 286.419 3.573 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000801913044 1129958551 /nfs/dbraw/zinc/95/85/51/1129958551.db2.gz MZBCWBQYNLOUMZ-NVXWUHKLSA-N 1 1 272.392 3.532 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000801932089 1129961480 /nfs/dbraw/zinc/96/14/80/1129961480.db2.gz GQGRUYQEWVJFNQ-KDOFPFPSSA-N 1 1 297.402 3.624 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1cc(C#N)ccn1 ZINC000902784190 1130057381 /nfs/dbraw/zinc/05/73/81/1130057381.db2.gz QAHFQNDOQYITTA-BBRMVZONSA-N 1 1 293.370 3.518 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000785998613 1130073332 /nfs/dbraw/zinc/07/33/32/1130073332.db2.gz JGROPCDTVLKDTA-CABCVRRESA-N 1 1 299.336 3.779 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC000785998044 1130073431 /nfs/dbraw/zinc/07/34/31/1130073431.db2.gz VULXNGKACWMQOU-SFHVURJKSA-N 1 1 294.398 3.819 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC000785998044 1130073438 /nfs/dbraw/zinc/07/34/38/1130073438.db2.gz VULXNGKACWMQOU-SFHVURJKSA-N 1 1 294.398 3.819 20 30 CHEDMO C=CCC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000786443391 1130093457 /nfs/dbraw/zinc/09/34/57/1130093457.db2.gz JOIQVMFDYDKHPT-ZDUSSCGKSA-N 1 1 274.191 3.535 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnc2ccsc2c1 ZINC000903030793 1130102204 /nfs/dbraw/zinc/10/22/04/1130102204.db2.gz GUZQHAGZXCERQG-LLVKDONJSA-N 1 1 271.389 3.641 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1nccc2ccccc21 ZINC000903034710 1130102880 /nfs/dbraw/zinc/10/28/80/1130102880.db2.gz BJFNZFAIQVSBMJ-CYBMUJFWSA-N 1 1 265.360 3.579 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000786578794 1130106889 /nfs/dbraw/zinc/10/68/89/1130106889.db2.gz NARJMNPMNWLNAV-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO COc1ccccc1[C@@H]([NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000903106824 1130113502 /nfs/dbraw/zinc/11/35/02/1130113502.db2.gz WGULZMYMMAVCRU-KRWDZBQOSA-N 1 1 284.403 3.820 20 30 CHEDMO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903106395 1130113789 /nfs/dbraw/zinc/11/37/89/1130113789.db2.gz PDVXQYPGGKSVBX-AWEZNQCLSA-N 1 1 290.794 3.756 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)c(F)c1 ZINC000903108489 1130114388 /nfs/dbraw/zinc/11/43/88/1130114388.db2.gz TUBGTTYQUCETPR-LBPRGKRZSA-N 1 1 276.355 3.569 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCCC1 ZINC000903110017 1130115493 /nfs/dbraw/zinc/11/54/93/1130115493.db2.gz YUQGYQBAGZKGIF-OAHLLOKOSA-N 1 1 276.330 3.626 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(Cl)c1 ZINC000903129978 1130117079 /nfs/dbraw/zinc/11/70/79/1130117079.db2.gz KVDRHXUZXSIGPA-MRXNPFEDSA-N 1 1 289.810 3.871 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C=C)cc1 ZINC000787309738 1130147146 /nfs/dbraw/zinc/14/71/46/1130147146.db2.gz LRYQRYGVFRDJNU-QGZVFWFLSA-N 1 1 269.388 3.629 20 30 CHEDMO CC[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903324776 1130154915 /nfs/dbraw/zinc/15/49/15/1130154915.db2.gz RDNGKABJBNICRB-IRXDYDNUSA-N 1 1 292.386 3.540 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000787997182 1130167991 /nfs/dbraw/zinc/16/79/91/1130167991.db2.gz HKYORAIUATZUAN-UHFFFAOYSA-N 1 1 255.283 3.549 20 30 CHEDMO C=C(Cl)CSCC[N@H+](C)Cc1ccccc1 ZINC000788508022 1130191894 /nfs/dbraw/zinc/19/18/94/1130191894.db2.gz FMWBCWDQIPKSHF-UHFFFAOYSA-N 1 1 255.814 3.604 20 30 CHEDMO COc1cc(N[NH+]=C(C)c2ccc(N)cc2)ccc1Cl ZINC000788468545 1130188197 /nfs/dbraw/zinc/18/81/97/1130188197.db2.gz WFYIWALDDPRHHW-UHFFFAOYSA-N 1 1 289.766 3.767 20 30 CHEDMO C[C@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1O ZINC000788587518 1130196193 /nfs/dbraw/zinc/19/61/93/1130196193.db2.gz JFEOVBUKFTXHQS-JTQLQIEISA-N 1 1 286.297 3.755 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cccc2c1ccn2CC ZINC001139152955 1130217201 /nfs/dbraw/zinc/21/72/01/1130217201.db2.gz AAXRHPOOQXOGKT-UHFFFAOYSA-N 1 1 269.392 3.787 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000753575053 1130219297 /nfs/dbraw/zinc/21/92/97/1130219297.db2.gz FVVOKAFWJVYLPS-HZPDHXFCSA-N 1 1 284.403 3.766 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc2cccnc2c1)C1CCCC1 ZINC001139170015 1130221286 /nfs/dbraw/zinc/22/12/86/1130221286.db2.gz XGVOLYIIVJILPO-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000753588600 1130221792 /nfs/dbraw/zinc/22/17/92/1130221792.db2.gz YBMQEPBSSKJKSC-LJQANCHMSA-N 1 1 297.446 3.803 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000753588600 1130221798 /nfs/dbraw/zinc/22/17/98/1130221798.db2.gz YBMQEPBSSKJKSC-LJQANCHMSA-N 1 1 297.446 3.803 20 30 CHEDMO C=CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001254566816 1130264602 /nfs/dbraw/zinc/26/46/02/1130264602.db2.gz ULYWGOASOPLWKT-ZDUSSCGKSA-N 1 1 276.380 3.812 20 30 CHEDMO Cc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001240383846 1130284712 /nfs/dbraw/zinc/28/47/12/1130284712.db2.gz GCAVSEFTUWDVMC-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO CC[C@H](C)NN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000790183962 1130294002 /nfs/dbraw/zinc/29/40/02/1130294002.db2.gz PWMURLAMUCDNDC-JQHSSLGASA-N 1 1 299.462 3.663 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000826861387 1130298084 /nfs/dbraw/zinc/29/80/84/1130298084.db2.gz FQIGDVYGISNSKU-AWEZNQCLSA-N 1 1 280.371 3.671 20 30 CHEDMO C[C@@H](C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C(C)(C)C ZINC000826881879 1130306278 /nfs/dbraw/zinc/30/62/78/1130306278.db2.gz GADDTGGPMPBLAZ-MAUKXSAKSA-N 1 1 285.435 3.621 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000678123252 1130352764 /nfs/dbraw/zinc/35/27/64/1130352764.db2.gz PRQGLNZZDVDOND-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1[nH]nc2ccccc21 ZINC000678215353 1130371787 /nfs/dbraw/zinc/37/17/87/1130371787.db2.gz VTRYMQFVLILLGN-UHFFFAOYSA-N 1 1 291.398 3.794 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1n[nH]c2ccccc21 ZINC000678215353 1130371792 /nfs/dbraw/zinc/37/17/92/1130371792.db2.gz VTRYMQFVLILLGN-UHFFFAOYSA-N 1 1 291.398 3.794 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1n[nH]c2ccccc21 ZINC000678215353 1130371795 /nfs/dbraw/zinc/37/17/95/1130371795.db2.gz VTRYMQFVLILLGN-UHFFFAOYSA-N 1 1 291.398 3.794 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccc(SC(F)F)cc1 ZINC000792192144 1130437836 /nfs/dbraw/zinc/43/78/36/1130437836.db2.gz DVNRTECXXWYBRA-UHFFFAOYSA-N 1 1 287.375 3.636 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC001137348824 1130450063 /nfs/dbraw/zinc/45/00/63/1130450063.db2.gz QZIVNMAHOLQDNW-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1n[nH]c2ccccc21 ZINC001137348824 1130450068 /nfs/dbraw/zinc/45/00/68/1130450068.db2.gz QZIVNMAHOLQDNW-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC001137348824 1130450072 /nfs/dbraw/zinc/45/00/72/1130450072.db2.gz QZIVNMAHOLQDNW-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001170196342 1130461796 /nfs/dbraw/zinc/46/17/96/1130461796.db2.gz ZGELGGJGXKUUNP-MOPGFXCFSA-N 1 1 287.447 3.757 20 30 CHEDMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001170293059 1130474612 /nfs/dbraw/zinc/47/46/12/1130474612.db2.gz JVOBNJWDOAIHHL-SWLSCSKDSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC001170293059 1130474615 /nfs/dbraw/zinc/47/46/15/1130474615.db2.gz JVOBNJWDOAIHHL-SWLSCSKDSA-N 1 1 262.784 3.507 20 30 CHEDMO Cc1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)cc1 ZINC000792632253 1130482022 /nfs/dbraw/zinc/48/20/22/1130482022.db2.gz UZZMDXNTXTVMSN-UHFFFAOYSA-N 1 1 279.387 3.799 20 30 CHEDMO CC[C@H](CC#N)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001255155314 1130493484 /nfs/dbraw/zinc/49/34/84/1130493484.db2.gz PAVZXWUQVKSQPO-CYBMUJFWSA-N 1 1 282.309 3.976 20 30 CHEDMO CCc1cccc(F)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000793001319 1130512134 /nfs/dbraw/zinc/51/21/34/1130512134.db2.gz NKNHCOIGMFVNJN-UHFFFAOYSA-N 1 1 286.325 3.689 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(F)nc1 ZINC000793227590 1130531400 /nfs/dbraw/zinc/53/14/00/1130531400.db2.gz TVYDWQGLIOQLOX-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C[N@H+]1CC[C@H](c2ccc(NCC#Cc3ccccc3)cc2)C1 ZINC001170429610 1130542675 /nfs/dbraw/zinc/54/26/75/1130542675.db2.gz QWTNAMOVCURXLQ-IBGZPJMESA-N 1 1 290.410 3.569 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393693 1130566167 /nfs/dbraw/zinc/56/61/67/1130566167.db2.gz BYRNQZSHQSIOGX-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000811456383 1130610358 /nfs/dbraw/zinc/61/03/58/1130610358.db2.gz NEJHWVHLYGWYDN-UHFFFAOYSA-N 1 1 282.309 3.973 20 30 CHEDMO CSc1ccc(C[N@H+](CCC#N)CC(C)C)s1 ZINC000811453170 1130610729 /nfs/dbraw/zinc/61/07/29/1130610729.db2.gz IFIBVUSYHUFFEP-UHFFFAOYSA-N 1 1 268.451 3.842 20 30 CHEDMO CSc1ccc(C[N@@H+](CCC#N)CC(C)C)s1 ZINC000811453170 1130610733 /nfs/dbraw/zinc/61/07/33/1130610733.db2.gz IFIBVUSYHUFFEP-UHFFFAOYSA-N 1 1 268.451 3.842 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512325 1130618951 /nfs/dbraw/zinc/61/89/51/1130618951.db2.gz LYQSPQNSAGSFDL-CQSZACIVSA-N 1 1 293.357 3.566 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001234240702 1130622194 /nfs/dbraw/zinc/62/21/94/1130622194.db2.gz HBSYVPFPQHHFSX-UHFFFAOYSA-N 1 1 282.362 3.659 20 30 CHEDMO C[N@H+]1CCC[C@@H](Oc2c(C#N)ccc(Cl)c2Cl)CC1 ZINC001234424893 1130642484 /nfs/dbraw/zinc/64/24/84/1130642484.db2.gz OMIQQNJKFIHSCT-LLVKDONJSA-N 1 1 299.201 3.728 20 30 CHEDMO C[N@H+]1CCC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)CC1 ZINC001234424894 1130642619 /nfs/dbraw/zinc/64/26/19/1130642619.db2.gz OMIQQNJKFIHSCT-NSHDSACASA-N 1 1 299.201 3.728 20 30 CHEDMO C#CC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001234441684 1130644317 /nfs/dbraw/zinc/64/43/17/1130644317.db2.gz TUSLOPYBUOSVBU-UHFFFAOYSA-N 1 1 299.748 3.787 20 30 CHEDMO C=CC[C@@H](CC)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796976251 1130664450 /nfs/dbraw/zinc/66/44/50/1130664450.db2.gz AKXYAGOGCGAADU-TZMCWYRMSA-N 1 1 251.345 3.927 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cncc2ccccc21 ZINC000796640269 1130674180 /nfs/dbraw/zinc/67/41/80/1130674180.db2.gz PDQPYTMFSHMLBR-UHFFFAOYSA-N 1 1 286.378 3.870 20 30 CHEDMO Cc1cccc(C(C)C)c1N=NC1C[C@H](C)[N@@H+](C)C1 ZINC000812232321 1130675104 /nfs/dbraw/zinc/67/51/04/1130675104.db2.gz DGVVSDBGADILEY-ZDUSSCGKSA-N 1 1 259.397 3.610 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000780557153 1130683638 /nfs/dbraw/zinc/68/36/38/1130683638.db2.gz VMDAUCTYEPIHGD-UHFFFAOYSA-N 1 1 292.169 3.550 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1CCNCC12CC2 ZINC001234976348 1130699058 /nfs/dbraw/zinc/69/90/58/1130699058.db2.gz SUSRHKHBBUIFHV-UHFFFAOYSA-N 1 1 264.457 3.731 20 30 CHEDMO C=CCCCCCCCCC[N@H+]1CCNCC12CC2 ZINC001234976348 1130699063 /nfs/dbraw/zinc/69/90/63/1130699063.db2.gz SUSRHKHBBUIFHV-UHFFFAOYSA-N 1 1 264.457 3.731 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235041370 1130705060 /nfs/dbraw/zinc/70/50/60/1130705060.db2.gz COKDYWGBAFNTKL-CQSZACIVSA-N 1 1 297.377 3.946 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(N2CCCC2)c1 ZINC001235097170 1130711001 /nfs/dbraw/zinc/71/10/01/1130711001.db2.gz RBGRETHOXNNQNX-LUPIEILUSA-N 1 1 295.430 3.553 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141709 1130714036 /nfs/dbraw/zinc/71/40/36/1130714036.db2.gz WQJOTSWTMPYUOA-UHFFFAOYSA-N 1 1 252.446 3.565 20 30 CHEDMO C#CC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000781353327 1130715514 /nfs/dbraw/zinc/71/55/14/1130715514.db2.gz ZWHGREBCNKXZMS-UHFFFAOYSA-N 1 1 266.171 3.716 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cc(C)c(OC)c(C)c1)c1ccc(F)cc1 ZINC000812793391 1130716965 /nfs/dbraw/zinc/71/69/65/1130716965.db2.gz RUTKUSKVRKUQFJ-GOSISDBHSA-N 1 1 297.373 3.915 20 30 CHEDMO C#Cc1ccc(CNc2[nH+]cccc2CCCCOC)cc1 ZINC000812808024 1130719301 /nfs/dbraw/zinc/71/93/01/1130719301.db2.gz OZVIGBJUXXDUEX-UHFFFAOYSA-N 1 1 294.398 3.644 20 30 CHEDMO C#CC[N@H+](CCCCCn1c(C)nc2ccccc21)C1CC1 ZINC000812832769 1130720706 /nfs/dbraw/zinc/72/07/06/1130720706.db2.gz DXOCNNHLIVJCRE-UHFFFAOYSA-N 1 1 295.430 3.613 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411061 1130739988 /nfs/dbraw/zinc/73/99/88/1130739988.db2.gz ZWPCIJXUUUXUTP-IRXDYDNUSA-N 1 1 282.447 3.537 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411058 1130740915 /nfs/dbraw/zinc/74/09/15/1130740915.db2.gz ZWPCIJXUUUXUTP-IAGOWNOFSA-N 1 1 282.447 3.537 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001235522328 1130750358 /nfs/dbraw/zinc/75/03/58/1130750358.db2.gz CQPDVGOTISOIBT-SFHVURJKSA-N 1 1 291.398 3.527 20 30 CHEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccccc1CC#N ZINC001235525243 1130752249 /nfs/dbraw/zinc/75/22/49/1130752249.db2.gz KXGOHMRLOAPBIL-QPJJXVBHSA-N 1 1 291.398 3.683 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(F)ccc(N)c1F ZINC001235662929 1130762721 /nfs/dbraw/zinc/76/27/21/1130762721.db2.gz MUMIQXWOOPAHGF-UHFFFAOYSA-N 1 1 270.367 3.949 20 30 CHEDMO C=CCCCCCCCCCN1CCCC2(C[NH2+]C2)C1 ZINC001235710561 1130772260 /nfs/dbraw/zinc/77/22/60/1130772260.db2.gz AYOSEHYGBQKLPR-UHFFFAOYSA-N 1 1 278.484 3.979 20 30 CHEDMO C=CCCCCCCCC[N@@H+](CC)C1CCNCC1 ZINC001235761643 1130776475 /nfs/dbraw/zinc/77/64/75/1130776475.db2.gz NURZXZPRGXMPFG-UHFFFAOYSA-N 1 1 266.473 3.977 20 30 CHEDMO C=CCCCCCCCC[N@H+](CC)C1CCNCC1 ZINC001235761643 1130776477 /nfs/dbraw/zinc/77/64/77/1130776477.db2.gz NURZXZPRGXMPFG-UHFFFAOYSA-N 1 1 266.473 3.977 20 30 CHEDMO C=CC[N@H+](C)Cc1c(C)cc(Br)cc1C ZINC001235787299 1130777774 /nfs/dbraw/zinc/77/77/74/1130777774.db2.gz CRIYLVKCMLELPS-UHFFFAOYSA-N 1 1 268.198 3.684 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc2sc(C)nc2c1 ZINC001235866007 1130791121 /nfs/dbraw/zinc/79/11/21/1130791121.db2.gz OVQNWOCDILXESV-UHFFFAOYSA-N 1 1 273.405 3.730 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc2sc(C)nc2c1 ZINC001235866007 1130791126 /nfs/dbraw/zinc/79/11/26/1130791126.db2.gz OVQNWOCDILXESV-UHFFFAOYSA-N 1 1 273.405 3.730 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235893653 1130795760 /nfs/dbraw/zinc/79/57/60/1130795760.db2.gz YEPLBGIILYHAPP-HOTGVXAUSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCCN1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235893653 1130795764 /nfs/dbraw/zinc/79/57/64/1130795764.db2.gz YEPLBGIILYHAPP-HOTGVXAUSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@H+]1C[C@@H](N)CC[C@@H]1C ZINC001235893653 1130795770 /nfs/dbraw/zinc/79/57/70/1130795770.db2.gz YEPLBGIILYHAPP-HOTGVXAUSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](N)CC[C@@H]1C ZINC001235893653 1130795777 /nfs/dbraw/zinc/79/57/77/1130795777.db2.gz YEPLBGIILYHAPP-HOTGVXAUSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCC[N@@H+](Cc1ccccc1)[C@@H]1CCNC[C@H]1F ZINC001235937424 1130811438 /nfs/dbraw/zinc/81/14/38/1130811438.db2.gz RINRQSGICFRGTJ-QZTJIDSGSA-N 1 1 290.426 3.545 20 30 CHEDMO 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CC(C)Oc1c(F)cccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238326895 1131190831 /nfs/dbraw/zinc/19/08/31/1131190831.db2.gz HZTWEHBMVJEDOL-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238326895 1131190833 /nfs/dbraw/zinc/19/08/33/1131190833.db2.gz HZTWEHBMVJEDOL-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001238427337 1131198232 /nfs/dbraw/zinc/19/82/32/1131198232.db2.gz OSDFSAGCODNGPH-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001238427337 1131198234 /nfs/dbraw/zinc/19/82/34/1131198234.db2.gz OSDFSAGCODNGPH-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C2CC2)c1 ZINC001238512616 1131212614 /nfs/dbraw/zinc/21/26/14/1131212614.db2.gz UTMSXBFRMHDVEE-MKZZRHPPSA-N 1 1 284.378 3.970 20 30 CHEDMO Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001238557069 1131214718 /nfs/dbraw/zinc/21/47/18/1131214718.db2.gz OZAFTCVSJRXCMN-ZDUSSCGKSA-N 1 1 262.784 3.774 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238551546 1131215108 /nfs/dbraw/zinc/21/51/08/1131215108.db2.gz MDXNWGVRYSLBAX-UHFFFAOYSA-N 1 1 253.320 3.558 20 30 CHEDMO C=CCCC[NH+]1CC2(CN(C[C@@H](CC)CCCC)C2)C1 ZINC001278252602 1131218595 /nfs/dbraw/zinc/21/85/95/1131218595.db2.gz BSNPXJGBQSZHBZ-KRWDZBQOSA-N 1 1 278.484 3.787 20 30 CHEDMO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001238664411 1131227490 /nfs/dbraw/zinc/22/74/90/1131227490.db2.gz KBQPQLDGQJFUMT-INIZCTEOSA-N 1 1 286.419 3.826 20 30 CHEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001238664411 1131227494 /nfs/dbraw/zinc/22/74/94/1131227494.db2.gz KBQPQLDGQJFUMT-INIZCTEOSA-N 1 1 286.419 3.826 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000829785267 1131432265 /nfs/dbraw/zinc/43/22/65/1131432265.db2.gz TWYJFYFUJLMOND-MRXNPFEDSA-N 1 1 278.399 3.779 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000829774950 1131432720 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ZINC001138034568 1131456408 /nfs/dbraw/zinc/45/64/08/1131456408.db2.gz LAVSBQUREVBESO-GFCCVEGCSA-N 1 1 265.759 3.633 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cn2ccccc2n1 ZINC001136879382 1131471691 /nfs/dbraw/zinc/47/16/91/1131471691.db2.gz BXXWIKZQAXTGON-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136946359 1131485839 /nfs/dbraw/zinc/48/58/39/1131485839.db2.gz WUJTYENGRAPWAZ-UHFFFAOYSA-N 1 1 286.378 3.967 20 30 CHEDMO C#CCOc1ccc(C[N@H+](CCC)[C@@H](C)CC)cc1OC ZINC001138341964 1131492930 /nfs/dbraw/zinc/49/29/30/1131492930.db2.gz WPWGUJDBHFTSNW-HNNXBMFYSA-N 1 1 289.419 3.718 20 30 CHEDMO C#CCOc1ccc(C[N@H+](CCC)[C@H](C)CC)cc1OC ZINC001138341966 1131493111 /nfs/dbraw/zinc/49/31/11/1131493111.db2.gz WPWGUJDBHFTSNW-OAHLLOKOSA-N 1 1 289.419 3.718 20 30 CHEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](CC#N)C3)c[nH]c2c1 ZINC001136973055 1131493760 /nfs/dbraw/zinc/49/37/60/1131493760.db2.gz KKKCLQACCBRMAE-CQSZACIVSA-N 1 1 267.376 3.602 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccccc2n1C)C1CCCCC1 ZINC001138380989 1131496799 /nfs/dbraw/zinc/49/67/99/1131496799.db2.gz KAKIAHPBHUZYEQ-UHFFFAOYSA-N 1 1 283.419 3.894 20 30 CHEDMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001138401536 1131499244 /nfs/dbraw/zinc/49/92/44/1131499244.db2.gz IJCYAWANTNZHDW-AWEZNQCLSA-N 1 1 267.376 3.602 20 30 CHEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001138434955 1131504854 /nfs/dbraw/zinc/50/48/54/1131504854.db2.gz DHTCIFNXYFEEID-OAHLLOKOSA-N 1 1 272.392 3.519 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC001137045403 1131513356 /nfs/dbraw/zinc/51/33/56/1131513356.db2.gz GQOAYPGLSAYKEX-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC001137045403 1131513359 /nfs/dbraw/zinc/51/33/59/1131513359.db2.gz GQOAYPGLSAYKEX-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC001137045403 1131513362 /nfs/dbraw/zinc/51/33/62/1131513362.db2.gz GQOAYPGLSAYKEX-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2ccc(OC)cc12 ZINC001138509956 1131514075 /nfs/dbraw/zinc/51/40/75/1131514075.db2.gz JWEUHSPEWVEDHV-UHFFFAOYSA-N 1 1 258.365 3.575 20 30 CHEDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cc2)cc1 ZINC001138517218 1131515355 /nfs/dbraw/zinc/51/53/55/1131515355.db2.gz YXAGDWXJIQPELF-INIZCTEOSA-N 1 1 292.382 3.708 20 30 CHEDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C#N)C3)cc2)cc1 ZINC001138517218 1131515358 /nfs/dbraw/zinc/51/53/58/1131515358.db2.gz YXAGDWXJIQPELF-INIZCTEOSA-N 1 1 292.382 3.708 20 30 CHEDMO CCCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001138526400 1131516607 /nfs/dbraw/zinc/51/66/07/1131516607.db2.gz VKMMTNCYZWGUDM-ZSOGYDGISA-N 1 1 274.433 3.967 20 30 CHEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1 ZINC001138558896 1131521395 /nfs/dbraw/zinc/52/13/95/1131521395.db2.gz KGTOVUHDDVHXLU-UHFFFAOYSA-N 1 1 299.801 3.984 20 30 CHEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1 ZINC001138558896 1131521398 /nfs/dbraw/zinc/52/13/98/1131521398.db2.gz KGTOVUHDDVHXLU-UHFFFAOYSA-N 1 1 299.801 3.984 20 30 CHEDMO C#CCOc1ccc(C[N@H+](CC)C(CC)CC)cc1 ZINC001138557889 1131521496 /nfs/dbraw/zinc/52/14/96/1131521496.db2.gz UVBRYKUTRGFBMF-UHFFFAOYSA-N 1 1 259.393 3.709 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001143726035 1131527284 /nfs/dbraw/zinc/52/72/84/1131527284.db2.gz CNZJDMHQEOVTSM-AWEZNQCLSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001143726035 1131527286 /nfs/dbraw/zinc/52/72/86/1131527286.db2.gz CNZJDMHQEOVTSM-AWEZNQCLSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001143726036 1131527436 /nfs/dbraw/zinc/52/74/36/1131527436.db2.gz CNZJDMHQEOVTSM-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001143726036 1131527437 /nfs/dbraw/zinc/52/74/37/1131527437.db2.gz CNZJDMHQEOVTSM-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001143726264 1131527460 /nfs/dbraw/zinc/52/74/60/1131527460.db2.gz JVDOYYAMXBIVIR-BLLLJJGKSA-N 1 1 274.795 3.976 20 30 CHEDMO C=CCc1cccc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC001138629396 1131529899 /nfs/dbraw/zinc/52/98/99/1131529899.db2.gz XHNIQCXLWRXQGT-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+](C)C1CC(C)C1 ZINC001138662410 1131533661 /nfs/dbraw/zinc/53/36/61/1131533661.db2.gz XFKMDOWIPILWJL-UHFFFAOYSA-N 1 1 259.393 3.872 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC2(CC2)C1 ZINC001138662294 1131534014 /nfs/dbraw/zinc/53/40/14/1131534014.db2.gz SNBJDORWVDJQDD-UHFFFAOYSA-N 1 1 257.377 3.627 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138834225 1131554943 /nfs/dbraw/zinc/55/49/43/1131554943.db2.gz XQLLNRHVFWVZHD-GFCCVEGCSA-N 1 1 272.779 3.667 20 30 CHEDMO CCCCOc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001138956781 1131564836 /nfs/dbraw/zinc/56/48/36/1131564836.db2.gz RQZOLKDDMVVCAE-INIZCTEOSA-N 1 1 286.419 3.991 20 30 CHEDMO CC(C)COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001138971402 1131567222 /nfs/dbraw/zinc/56/72/22/1131567222.db2.gz KCGOEYJUYWBITG-MRXNPFEDSA-N 1 1 286.419 3.847 20 30 CHEDMO N#C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001139069108 1131579005 /nfs/dbraw/zinc/57/90/05/1131579005.db2.gz DEHWWDVGHZFMTI-HNNXBMFYSA-N 1 1 280.346 3.838 20 30 CHEDMO N#C[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001139069108 1131579009 /nfs/dbraw/zinc/57/90/09/1131579009.db2.gz DEHWWDVGHZFMTI-HNNXBMFYSA-N 1 1 280.346 3.838 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(C#N)cn1 ZINC001144160695 1131593402 /nfs/dbraw/zinc/59/34/02/1131593402.db2.gz RPICQRFOVYPWBP-UHFFFAOYSA-N 1 1 259.397 3.746 20 30 CHEDMO N#CCC1C[NH+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001139297912 1131600781 /nfs/dbraw/zinc/60/07/81/1131600781.db2.gz NFSHHGOFLKQUAD-UHFFFAOYSA-N 1 1 296.345 3.963 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCNCC[C@@H]1C ZINC001246550932 1131607074 /nfs/dbraw/zinc/60/70/74/1131607074.db2.gz LCEIBZNNYFTHJM-HOTGVXAUSA-N 1 1 254.462 3.809 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCNCC[C@H]1C ZINC001246550930 1131607359 /nfs/dbraw/zinc/60/73/59/1131607359.db2.gz LCEIBZNNYFTHJM-CVEARBPZSA-N 1 1 254.462 3.809 20 30 CHEDMO CCC[N@@H+](CC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424431 1131608811 /nfs/dbraw/zinc/60/88/11/1131608811.db2.gz QQPOIDPPLRYVAT-UHFFFAOYSA-N 1 1 295.386 3.977 20 30 CHEDMO N#CCC1C[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171157871 1131611700 /nfs/dbraw/zinc/61/17/00/1131611700.db2.gz KHKGKOKNCKAUDM-ZDUSSCGKSA-N 1 1 295.213 3.696 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519142 1131612198 /nfs/dbraw/zinc/61/21/98/1131612198.db2.gz NJIHDWPDJWZEMO-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C=CC[N@H+](C)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171162184 1131618761 /nfs/dbraw/zinc/61/87/61/1131618761.db2.gz HVBPOUKZLRFEMF-GFCCVEGCSA-N 1 1 270.203 3.969 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(OCC)c(CC)c1 ZINC001139623588 1131624528 /nfs/dbraw/zinc/62/45/28/1131624528.db2.gz JMCTXHKGZPDWMM-UHFFFAOYSA-N 1 1 274.408 3.773 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139647355 1131626593 /nfs/dbraw/zinc/62/65/93/1131626593.db2.gz LONUJJMIPIYSFK-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706184 1131630148 /nfs/dbraw/zinc/63/01/48/1131630148.db2.gz NXIBZLPBMVETQY-HNNXBMFYSA-N 1 1 267.376 3.804 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701378 1131630389 /nfs/dbraw/zinc/63/03/89/1131630389.db2.gz GMGWIWNPMBDNGQ-BETUJISGSA-N 1 1 267.376 3.802 20 30 CHEDMO CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727183 1131632207 /nfs/dbraw/zinc/63/22/07/1131632207.db2.gz IDHUZKFTQQMCTM-UHFFFAOYSA-N 1 1 299.462 3.563 20 30 CHEDMO CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727183 1131632210 /nfs/dbraw/zinc/63/22/10/1131632210.db2.gz IDHUZKFTQQMCTM-UHFFFAOYSA-N 1 1 299.462 3.563 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1C#N ZINC001139728644 1131633126 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CC[N@@H+](CCC#N)Cc1c[nH]c2cccc(Cl)c12 ZINC001140437019 1131737061 /nfs/dbraw/zinc/73/70/61/1131737061.db2.gz ZSGUGXWRJXTXHK-UHFFFAOYSA-N 1 1 261.756 3.557 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453904 1131744404 /nfs/dbraw/zinc/74/44/04/1131744404.db2.gz QSGDLXFGPRMHIM-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)CC1(Br)CC1 ZINC000846812802 1131744581 /nfs/dbraw/zinc/74/45/81/1131744581.db2.gz XDIHJVMKMFBDPT-UHFFFAOYSA-N 1 1 287.245 3.566 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CC1(Br)CC1 ZINC000846812802 1131744584 /nfs/dbraw/zinc/74/45/84/1131744584.db2.gz XDIHJVMKMFBDPT-UHFFFAOYSA-N 1 1 287.245 3.566 20 30 CHEDMO Cc1ccc(N=NC2CCC[N@H+](C)CC2)c(Cl)c1 ZINC000835012634 1131754817 /nfs/dbraw/zinc/75/48/17/1131754817.db2.gz XHVZMKVXWAHYDO-UHFFFAOYSA-N 1 1 265.788 3.532 20 30 CHEDMO C=CCc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001227927021 1131769679 /nfs/dbraw/zinc/76/96/79/1131769679.db2.gz OQLXHQDXPULNGD-INIZCTEOSA-N 1 1 289.419 3.675 20 30 CHEDMO N#Cc1ccc(C2([NH2+]C/C(Cl)=C\Cl)CCC2)cc1 ZINC000847060897 1131776176 /nfs/dbraw/zinc/77/61/76/1131776176.db2.gz UFIFHZZAMLRXEI-MDWZMJQESA-N 1 1 281.186 3.846 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cn1 ZINC001140544641 1131786672 /nfs/dbraw/zinc/78/66/72/1131786672.db2.gz XDIFSLKGVOTQAP-AWEZNQCLSA-N 1 1 297.789 3.596 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc2ccncc21)C1CCCC1 ZINC001140645654 1131843104 /nfs/dbraw/zinc/84/31/04/1131843104.db2.gz ZRDVGGPSBKZZDI-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001140678152 1131856231 /nfs/dbraw/zinc/85/62/31/1131856231.db2.gz RLVDHTQDHQCZSY-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO CC[N@H+](CC#Cc1ccccc1Cl)Cc1ccncc1 ZINC000348124642 1131885901 /nfs/dbraw/zinc/88/59/01/1131885901.db2.gz NAHXFIZJUSFVOQ-UHFFFAOYSA-N 1 1 284.790 3.609 20 30 CHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)Cc1ccncc1 ZINC000348124642 1131885909 /nfs/dbraw/zinc/88/59/09/1131885909.db2.gz NAHXFIZJUSFVOQ-UHFFFAOYSA-N 1 1 284.790 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C#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001171489311 1132038356 /nfs/dbraw/zinc/03/83/56/1132038356.db2.gz HDAWIBSTORNEIZ-CXAGYDPISA-N 1 1 257.352 3.548 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001141214015 1132043764 /nfs/dbraw/zinc/04/37/64/1132043764.db2.gz CZPDJVCODIABEG-CQSZACIVSA-N 1 1 297.427 3.936 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001141214015 1132043771 /nfs/dbraw/zinc/04/37/71/1132043771.db2.gz CZPDJVCODIABEG-CQSZACIVSA-N 1 1 297.427 3.936 20 30 CHEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Cl ZINC001141236258 1132055227 /nfs/dbraw/zinc/05/52/27/1132055227.db2.gz PNLSLBPQPLEJDN-QKDCVEJESA-N 1 1 274.795 3.915 20 30 CHEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001248752013 1132086037 /nfs/dbraw/zinc/08/60/37/1132086037.db2.gz SVCPHDCLSKMFOW-UHFFFAOYSA-N 1 1 299.805 3.801 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171759352 1132090805 /nfs/dbraw/zinc/09/08/05/1132090805.db2.gz 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C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171973509 1132116707 /nfs/dbraw/zinc/11/67/07/1132116707.db2.gz JWUUVJXSJYMSET-UONOGXRCSA-N 1 1 295.348 3.982 20 30 CHEDMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973899 1132117871 /nfs/dbraw/zinc/11/78/71/1132117871.db2.gz AVTRMEKWDXNHFG-QZTJIDSGSA-N 1 1 299.462 3.711 20 30 CHEDMO C=CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172072902 1132121334 /nfs/dbraw/zinc/12/13/34/1132121334.db2.gz NVEZDDXVMVECFQ-REPLKXPHSA-N 1 1 284.447 3.738 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ccccn1 ZINC001172305258 1132153525 /nfs/dbraw/zinc/15/35/25/1132153525.db2.gz COOQMDHGKXQUFQ-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1 ZINC001172309112 1132153767 /nfs/dbraw/zinc/15/37/67/1132153767.db2.gz QYIADBQNIQSHKR-INIZCTEOSA-N 1 1 278.399 3.664 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)C1CCOCC1 ZINC001172312599 1132154925 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CCCCCCC[C@@H](CC)N1CC[N@@H+]2CC[C@H]1C2 ZINC001172354347 1132183884 /nfs/dbraw/zinc/18/38/84/1132183884.db2.gz GXRGDQKDKDYOKP-CVEARBPZSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001172353749 1132184313 /nfs/dbraw/zinc/18/43/13/1132184313.db2.gz BCVJIJXCNYVENI-HOTGVXAUSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+](C)CCC1OCCO1 ZINC001172355468 1132184564 /nfs/dbraw/zinc/18/45/64/1132184564.db2.gz OVOHARXFYAOEPZ-OAHLLOKOSA-N 1 1 271.445 3.820 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001172356017 1132185422 /nfs/dbraw/zinc/18/54/22/1132185422.db2.gz FYMKWQMBKXZZAV-RBSFLKMASA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC001172356315 1132185468 /nfs/dbraw/zinc/18/54/68/1132185468.db2.gz WCSSSZGHABBVMC-IRXDYDNUSA-N 1 1 282.472 3.726 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+](C)CCc1noc(C)n1 ZINC001172358871 1132186603 /nfs/dbraw/zinc/18/66/03/1132186603.db2.gz SLIODLTXFIKVHH-HNNXBMFYSA-N 1 1 281.444 3.991 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001172362286 1132189400 /nfs/dbraw/zinc/18/94/00/1132189400.db2.gz UHTDYYJKRPIPFZ-DOTOQJQBSA-N 1 1 282.472 3.678 20 30 CHEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230514636 1132189467 /nfs/dbraw/zinc/18/94/67/1132189467.db2.gz ADLOPPUOLKKJQM-RBOXIYTFSA-N 1 1 285.391 3.905 20 30 CHEDMO C=C[C@H](CCCCCCC)Oc1[nH+][nH]cc2nncc1-2 ZINC001230900675 1132225403 /nfs/dbraw/zinc/22/54/03/1132225403.db2.gz JZTBEROSMMGTJK-GFCCVEGCSA-N 1 1 274.368 3.647 20 30 CHEDMO C[C@H](CCCC#N)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172478139 1132227571 /nfs/dbraw/zinc/22/75/71/1132227571.db2.gz BUJJXFBNZJTQGR-IEBWSBKVSA-N 1 1 299.462 3.571 20 30 CHEDMO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C(C)C ZINC000839968477 1132243700 /nfs/dbraw/zinc/24/37/00/1132243700.db2.gz KUXPKJOKUPPWLQ-KRWDZBQOSA-N 1 1 298.430 3.594 20 30 CHEDMO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C(C)C ZINC000839968477 1132243702 /nfs/dbraw/zinc/24/37/02/1132243702.db2.gz KUXPKJOKUPPWLQ-KRWDZBQOSA-N 1 1 298.430 3.594 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001172491596 1132247028 /nfs/dbraw/zinc/24/70/28/1132247028.db2.gz FNRVNRQGYHIHED-QGZVFWFLSA-N 1 1 299.462 3.665 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001172490976 1132247084 /nfs/dbraw/zinc/24/70/84/1132247084.db2.gz BENMBPDKCNUQDD-KURKYZTESA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@H](CCCC#N)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172490976 1132247090 /nfs/dbraw/zinc/24/70/90/1132247090.db2.gz BENMBPDKCNUQDD-KURKYZTESA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@H](CCCC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172490976 1132247095 /nfs/dbraw/zinc/24/70/95/1132247095.db2.gz BENMBPDKCNUQDD-KURKYZTESA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001172497244 1132247976 /nfs/dbraw/zinc/24/79/76/1132247976.db2.gz ADPOUIYJFGXPQD-RDJZCZTQSA-N 1 1 256.393 3.948 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001172500129 1132249737 /nfs/dbraw/zinc/24/97/37/1132249737.db2.gz JWEADQUAXTZMTC-CYBMUJFWSA-N 1 1 264.800 3.897 20 30 CHEDMO COc1cccc([C@@H]2CCC[N@H+]2[C@H](C)CCCC#N)c1 ZINC001172499183 1132249761 /nfs/dbraw/zinc/24/97/61/1132249761.db2.gz BSSHQDUKTIMPOW-PBHICJAKSA-N 1 1 272.392 3.914 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172501358 1132250109 /nfs/dbraw/zinc/25/01/09/1132250109.db2.gz QARRDRLUWPCVPH-ZIAGYGMSSA-N 1 1 260.381 3.770 20 30 CHEDMO CC[N@@H+]([C@@H](C)CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172500690 1132250253 /nfs/dbraw/zinc/25/02/53/1132250253.db2.gz OGWSWNORLVRSIA-PKOBYXMFSA-N 1 1 299.462 3.665 20 30 CHEDMO CCCCCCC[C@@H](CCC)n1cnc(C[NH3+])cc1=N ZINC001172502959 1132251712 /nfs/dbraw/zinc/25/17/12/1132251712.db2.gz UVWMGKHCVDHOQL-OAHLLOKOSA-N 1 1 278.444 3.523 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001172504018 1132252601 /nfs/dbraw/zinc/25/26/01/1132252601.db2.gz DRGJPBXZYMDKES-RDJZCZTQSA-N 1 1 272.392 3.612 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+]1CCn2ncnc2C1 ZINC001172504150 1132252650 /nfs/dbraw/zinc/25/26/50/1132252650.db2.gz DIIUKVBHCYBWCP-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCn2ncnc2C1 ZINC001172504150 1132252654 /nfs/dbraw/zinc/25/26/54/1132252654.db2.gz DIIUKVBHCYBWCP-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001172508378 1132256526 /nfs/dbraw/zinc/25/65/26/1132256526.db2.gz JQOZVUIOFSBQLS-BZUAXINKSA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC12COC2 ZINC001172510522 1132257491 /nfs/dbraw/zinc/25/74/91/1132257491.db2.gz DQXNRVBJPHSFAE-HNNXBMFYSA-N 1 1 253.430 3.990 20 30 CHEDMO N#C[C@H]1CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551471 1132263435 /nfs/dbraw/zinc/26/34/35/1132263435.db2.gz HKUNXOIDDAKZCA-OIISXLGYSA-N 1 1 254.377 3.558 20 30 CHEDMO N#C[C@H]1CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551470 1132263960 /nfs/dbraw/zinc/26/39/60/1132263960.db2.gz HKUNXOIDDAKZCA-DJIMGWMZSA-N 1 1 254.377 3.558 20 30 CHEDMO O=C1C=C2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172555584 1132267545 /nfs/dbraw/zinc/26/75/45/1132267545.db2.gz ARTOOBHRKZFITQ-PVAVHDDUSA-N 1 1 299.439 3.597 20 30 CHEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172562709 1132268910 /nfs/dbraw/zinc/26/89/10/1132268910.db2.gz CQOATCKNRBXMSV-DJIMGWMZSA-N 1 1 254.377 3.558 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(F)ccc(F)c1OC ZINC001231414345 1132292538 /nfs/dbraw/zinc/29/25/38/1132292538.db2.gz PEYIMMKIMLKTFI-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(F)ccc(F)c1OC ZINC001231414345 1132292544 /nfs/dbraw/zinc/29/25/44/1132292544.db2.gz PEYIMMKIMLKTFI-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+]2CCC[C@H](C#N)C2)c(C)c1C ZINC001231494372 1132305344 /nfs/dbraw/zinc/30/53/44/1132305344.db2.gz MTPQKGKSPHETDJ-QGZVFWFLSA-N 1 1 270.420 3.964 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001231511100 1132309699 /nfs/dbraw/zinc/30/96/99/1132309699.db2.gz HTEPQOFGZKDLHZ-MRXNPFEDSA-N 1 1 262.356 3.699 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001231511100 1132309703 /nfs/dbraw/zinc/30/97/03/1132309703.db2.gz HTEPQOFGZKDLHZ-MRXNPFEDSA-N 1 1 262.356 3.699 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000840977303 1132316450 /nfs/dbraw/zinc/31/64/50/1132316450.db2.gz HCAJPKLZRRUTSF-WMLDXEAASA-N 1 1 284.403 3.599 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000840978171 1132317574 /nfs/dbraw/zinc/31/75/74/1132317574.db2.gz MOYDWOSOFQHEHK-SFHVURJKSA-N 1 1 297.446 3.658 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001231590346 1132319354 /nfs/dbraw/zinc/31/93/54/1132319354.db2.gz VJMXQPGSTRIHAZ-MKZZRHPPSA-N 1 1 292.382 3.812 20 30 CHEDMO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2)o1 ZINC001231597203 1132324635 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C#Cc1cccc(C[N@@H+](CC)Cc2cccs2)c1 ZINC001231661010 1132338424 /nfs/dbraw/zinc/33/84/24/1132338424.db2.gz MTDSBXJMUZNNJO-UHFFFAOYSA-N 1 1 255.386 3.752 20 30 CHEDMO C#Cc1cccc(C[N@@H+](CC)Cc2cccc(F)c2F)c1 ZINC001231661382 1132338611 /nfs/dbraw/zinc/33/86/11/1132338611.db2.gz SEHOMLITVYYWSG-UHFFFAOYSA-N 1 1 285.337 3.968 20 30 CHEDMO C#Cc1cccc(C[N@H+](CC)Cc2cccc(F)c2F)c1 ZINC001231661382 1132338618 /nfs/dbraw/zinc/33/86/18/1132338618.db2.gz SEHOMLITVYYWSG-UHFFFAOYSA-N 1 1 285.337 3.968 20 30 CHEDMO C#Cc1cccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC001231662578 1132339319 /nfs/dbraw/zinc/33/93/19/1132339319.db2.gz HPGCAUMGPOSJAF-OAHLLOKOSA-N 1 1 279.383 3.870 20 30 CHEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC001231659342 1132339336 /nfs/dbraw/zinc/33/93/36/1132339336.db2.gz JLTXSRQCHCYVPM-HXUWFJFHSA-N 1 1 291.394 3.711 20 30 CHEDMO C#Cc1cccc(C[N@@H+](C)Cc2cccc(F)c2F)c1 ZINC001231661882 1132339468 /nfs/dbraw/zinc/33/94/68/1132339468.db2.gz ZTBQIKJUJAUHNI-UHFFFAOYSA-N 1 1 271.310 3.578 20 30 CHEDMO C#Cc1cccc(C[N@H+](C)Cc2cccc(F)c2F)c1 ZINC001231661882 1132339473 /nfs/dbraw/zinc/33/94/73/1132339473.db2.gz ZTBQIKJUJAUHNI-UHFFFAOYSA-N 1 1 271.310 3.578 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3)C2)c1 ZINC001231661728 1132339496 /nfs/dbraw/zinc/33/94/96/1132339496.db2.gz YIYCOFPAOMFZMU-LJQANCHMSA-N 1 1 291.394 3.666 20 30 CHEDMO C#Cc1cccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001231662023 1132340304 /nfs/dbraw/zinc/34/03/04/1132340304.db2.gz CTPZFHWTCYHGSA-MSOLQXFVSA-N 1 1 253.389 3.680 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172859212 1132343055 /nfs/dbraw/zinc/34/30/55/1132343055.db2.gz YSDXKVSXMVUXIG-CHWSQXEVSA-N 1 1 279.786 3.755 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccnc1OC(C)C ZINC001231762422 1132355168 /nfs/dbraw/zinc/35/51/68/1132355168.db2.gz NMXPMJKZURRWRC-UHFFFAOYSA-N 1 1 262.397 3.657 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1cnc(SC)nc1Cl ZINC001142435131 1132388503 /nfs/dbraw/zinc/38/85/03/1132388503.db2.gz 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Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC000178670137 329202100 /nfs/dbraw/zinc/20/21/00/329202100.db2.gz WHRGIGXUHSVRBD-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC000178670137 329202102 /nfs/dbraw/zinc/20/21/02/329202102.db2.gz WHRGIGXUHSVRBD-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000179618313 329210772 /nfs/dbraw/zinc/21/07/72/329210772.db2.gz GWFKQTDSVZACKZ-UHFFFAOYSA-N 1 1 283.419 3.695 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)cs1 ZINC000179911228 329213473 /nfs/dbraw/zinc/21/34/73/329213473.db2.gz ZCAXCWWDTVGNPD-LBPRGKRZSA-N 1 1 268.385 3.567 20 30 CHEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000181286187 329229577 /nfs/dbraw/zinc/22/95/77/329229577.db2.gz PCKPKRLXRUITRB-CYBMUJFWSA-N 1 1 271.364 3.614 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000181286187 329229578 /nfs/dbraw/zinc/22/95/78/329229578.db2.gz PCKPKRLXRUITRB-CYBMUJFWSA-N 1 1 271.364 3.614 20 30 CHEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181167810 329233157 /nfs/dbraw/zinc/23/31/57/329233157.db2.gz HBGMZCLIPVBCCT-JTQLQIEISA-N 1 1 281.197 3.551 20 30 CHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000459768560 329387637 /nfs/dbraw/zinc/38/76/37/329387637.db2.gz XMIVXPIWUWERTA-LBPRGKRZSA-N 1 1 288.391 3.822 20 30 CHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2nccs2)c2ccccc2)C1 ZINC000249037852 329903873 /nfs/dbraw/zinc/90/38/73/329903873.db2.gz TWBFNUXAKAXXQL-BMFZPTHFSA-N 1 1 297.427 3.904 20 30 CHEDMO C=C(C[NH2+][C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000269394921 330069998 /nfs/dbraw/zinc/06/99/98/330069998.db2.gz DTISQZFAEILSEM-LBPRGKRZSA-N 1 1 258.390 3.816 20 30 CHEDMO C#CCCC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000271061425 330077760 /nfs/dbraw/zinc/07/77/60/330077760.db2.gz SODNQEOGJUXYPS-ZDUSSCGKSA-N 1 1 264.438 3.981 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000271538690 330081139 /nfs/dbraw/zinc/08/11/39/330081139.db2.gz QOKVRYHSOWYBSX-GXTWGEPZSA-N 1 1 256.374 3.558 20 30 CHEDMO C=CCCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273420736 330093092 /nfs/dbraw/zinc/09/30/92/330093092.db2.gz JQKOLJLCBHYDQU-IRXDYDNUSA-N 1 1 277.383 3.944 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273515560 330096921 /nfs/dbraw/zinc/09/69/21/330096921.db2.gz PFUCTCIXJITUSH-HOTGVXAUSA-N 1 1 263.356 3.554 20 30 CHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000274272994 330104366 /nfs/dbraw/zinc/10/43/66/330104366.db2.gz BOORHVWRRJMKAE-AWEZNQCLSA-N 1 1 286.419 3.953 20 30 CHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000274272994 330104368 /nfs/dbraw/zinc/10/43/68/330104368.db2.gz BOORHVWRRJMKAE-AWEZNQCLSA-N 1 1 286.419 3.953 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000274820623 330108181 /nfs/dbraw/zinc/10/81/81/330108181.db2.gz YDCSMBQJNBUHFV-KGLIPLIRSA-N 1 1 265.422 3.602 20 30 CHEDMO C=CCCN(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000276085873 330111803 /nfs/dbraw/zinc/11/18/03/330111803.db2.gz BYHHIASNJFPUQV-UHFFFAOYSA-N 1 1 288.435 3.565 20 30 CHEDMO C=CCC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccco1 ZINC000278955987 330121125 /nfs/dbraw/zinc/12/11/25/330121125.db2.gz NJZAFVCAUTWXAR-WFASDCNBSA-N 1 1 273.380 3.539 20 30 CHEDMO CCC(CC)[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000574989909 330122943 /nfs/dbraw/zinc/12/29/43/330122943.db2.gz RXNKBCQKDDQUPQ-UHFFFAOYSA-N 1 1 272.392 3.720 20 30 CHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000396894034 330228759 /nfs/dbraw/zinc/22/87/59/330228759.db2.gz YFQRJFKTIQEROK-OAHLLOKOSA-N 1 1 260.356 3.708 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527620346 330265896 /nfs/dbraw/zinc/26/58/96/330265896.db2.gz QHBJKTWUTVJSKP-AWEZNQCLSA-N 1 1 273.424 3.703 20 30 CHEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(C)ccc1C ZINC000527821427 330286361 /nfs/dbraw/zinc/28/63/61/330286361.db2.gz OLJQHCWSPUUKNH-HNNXBMFYSA-N 1 1 285.416 3.873 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000532980501 330324073 /nfs/dbraw/zinc/32/40/73/330324073.db2.gz MZDYIUQNAZDNLY-UHFFFAOYSA-N 1 1 275.436 3.670 20 30 CHEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)c2ccccc2)cc1C#N ZINC000533079721 330330867 /nfs/dbraw/zinc/33/08/67/330330867.db2.gz KOXFEWDQVNFUDM-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cc3ccccc3s2)nn1 ZINC000424297886 330336425 /nfs/dbraw/zinc/33/64/25/330336425.db2.gz RGLWWOYOLHHYFX-LBPRGKRZSA-N 1 1 298.415 3.530 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000046518403 330353433 /nfs/dbraw/zinc/35/34/33/330353433.db2.gz NYCUNLGNANGTFI-UHFFFAOYSA-N 1 1 264.372 3.623 20 30 CHEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000533326136 330357519 /nfs/dbraw/zinc/35/75/19/330357519.db2.gz MNSPDCLELJUCNI-GOSISDBHSA-N 1 1 279.358 3.667 20 30 CHEDMO CCC(CC)[N@@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000533332268 330358549 /nfs/dbraw/zinc/35/85/49/330358549.db2.gz WKGIUTVQHDXWHY-UHFFFAOYSA-N 1 1 272.392 3.720 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119179832 330370729 /nfs/dbraw/zinc/37/07/29/330370729.db2.gz SVNWLQKDJCRKIZ-UHFFFAOYSA-N 1 1 268.744 3.646 20 30 CHEDMO C=CCCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119179832 330370730 /nfs/dbraw/zinc/37/07/30/330370730.db2.gz SVNWLQKDJCRKIZ-UHFFFAOYSA-N 1 1 268.744 3.646 20 30 CHEDMO C=CCCC[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000536995042 330375297 /nfs/dbraw/zinc/37/52/97/330375297.db2.gz KKCJKCBPTPARBP-INIZCTEOSA-N 1 1 264.457 3.682 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000119925824 330380304 /nfs/dbraw/zinc/38/03/04/330380304.db2.gz PSZCPDVAEMBVAU-HNNXBMFYSA-N 1 1 274.433 3.716 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)c(Br)c1)C[C@H](C)C#N ZINC000120501855 330389032 /nfs/dbraw/zinc/38/90/32/330389032.db2.gz ZHYDEHRFBHHDRK-LLVKDONJSA-N 1 1 295.224 3.739 20 30 CHEDMO CC[N@H+](Cc1ccc(C)c(Br)c1)C[C@H](C)C#N ZINC000120501855 330389033 /nfs/dbraw/zinc/38/90/33/330389033.db2.gz ZHYDEHRFBHHDRK-LLVKDONJSA-N 1 1 295.224 3.739 20 30 CHEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428288045 330519149 /nfs/dbraw/zinc/51/91/49/330519149.db2.gz FREBRYSTCIHSQO-KRWDZBQOSA-N 1 1 268.335 3.938 20 30 CHEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000435603088 330658760 /nfs/dbraw/zinc/65/87/60/330658760.db2.gz GUBUVMHZBUBRLX-FZMZJTMJSA-N 1 1 274.389 3.689 20 30 CHEDMO CCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000449253145 330909960 /nfs/dbraw/zinc/90/99/60/330909960.db2.gz UOICOCNKZJCLTB-UUCFBXCCSA-N 1 1 294.439 3.559 20 30 CHEDMO C=CC[C@H]1[N@H+](CCc2cscn2)CCCC1(C)C ZINC000450862649 331003456 /nfs/dbraw/zinc/00/34/56/331003456.db2.gz GBBIQKSIQIAWMT-CQSZACIVSA-N 1 1 264.438 3.752 20 30 CHEDMO CC[C@@H]1C[C@]1([NH2+]CC1(C#N)CCC1)c1cccc(C)c1 ZINC000450922624 331007399 /nfs/dbraw/zinc/00/73/99/331007399.db2.gz OHJUSCFTIRTNCY-CRAIPNDOSA-N 1 1 268.404 3.904 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015062 331011704 /nfs/dbraw/zinc/01/17/04/331011704.db2.gz KHGCEIJREDMJRZ-MRXNPFEDSA-N 1 1 269.392 3.974 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015062 331011705 /nfs/dbraw/zinc/01/17/05/331011705.db2.gz KHGCEIJREDMJRZ-MRXNPFEDSA-N 1 1 269.392 3.974 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015062 331011706 /nfs/dbraw/zinc/01/17/06/331011706.db2.gz KHGCEIJREDMJRZ-MRXNPFEDSA-N 1 1 269.392 3.974 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023604 331012349 /nfs/dbraw/zinc/01/23/49/331012349.db2.gz GENCDLQHAZVHSS-OAHLLOKOSA-N 1 1 256.393 3.916 20 30 CHEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCCCC#N ZINC000451149338 331017584 /nfs/dbraw/zinc/01/75/84/331017584.db2.gz SLPJHXYFCJRWIL-TUAOUCFPSA-N 1 1 262.319 3.732 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000451968644 331048882 /nfs/dbraw/zinc/04/88/82/331048882.db2.gz JEALJNPKPJRTKM-DOTOQJQBSA-N 1 1 277.383 3.598 20 30 CHEDMO CC(C)[N@@H+](CCCSCC#N)C1CC(C)(C)C1 ZINC000452106654 331054486 /nfs/dbraw/zinc/05/44/86/331054486.db2.gz QSQDWBRSMIQBSI-UHFFFAOYSA-N 1 1 254.443 3.532 20 30 CHEDMO C=CCC[C@@H](CCC)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453273563 331109774 /nfs/dbraw/zinc/10/97/74/331109774.db2.gz FTEIIWVUJDJKQB-HZPDHXFCSA-N 1 1 294.483 3.735 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459348708 331277289 /nfs/dbraw/zinc/27/72/89/331277289.db2.gz WUWPKJNXRNDZAP-WWGRRREGSA-N 1 1 299.374 3.619 20 30 CHEDMO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000459358300 331278043 /nfs/dbraw/zinc/27/80/43/331278043.db2.gz COWGQYGHCIZZIT-UHFFFAOYSA-N 1 1 287.363 3.619 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(C2CC2)cc1)C1CC1 ZINC000459366931 331278611 /nfs/dbraw/zinc/27/86/11/331278611.db2.gz YKOAMWMWQNYMBE-CYBMUJFWSA-N 1 1 254.377 3.688 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(C2CC2)cc1)C1CC1 ZINC000459366931 331278612 /nfs/dbraw/zinc/27/86/12/331278612.db2.gz YKOAMWMWQNYMBE-CYBMUJFWSA-N 1 1 254.377 3.688 20 30 CHEDMO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000459476028 331283860 /nfs/dbraw/zinc/28/38/60/331283860.db2.gz LAYLKGMGQAZPLJ-CQDKDKBSSA-N 1 1 260.768 3.609 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2c(s1)CCC2 ZINC000459634190 331291416 /nfs/dbraw/zinc/29/14/16/331291416.db2.gz QRWKVPHPKLRKTC-LBPRGKRZSA-N 1 1 297.427 3.549 20 30 CHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000459668356 331293200 /nfs/dbraw/zinc/29/32/00/331293200.db2.gz PNRGNNPUYQHOGB-CYBMUJFWSA-N 1 1 298.361 3.865 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459672176 331293436 /nfs/dbraw/zinc/29/34/36/331293436.db2.gz XOENJPPIDVJPSX-ZDUSSCGKSA-N 1 1 291.357 3.634 20 30 CHEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459714357 331295416 /nfs/dbraw/zinc/29/54/16/331295416.db2.gz VACSEJRTIXAQOG-IAGOWNOFSA-N 1 1 268.404 3.948 20 30 CHEDMO CC#CCC[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000462311224 331319017 /nfs/dbraw/zinc/31/90/17/331319017.db2.gz HTUBAZIFJBCZTQ-UHFFFAOYSA-N 1 1 295.430 3.643 20 30 CHEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000462311764 331319107 /nfs/dbraw/zinc/31/91/07/331319107.db2.gz GFYQNUYIANGLKM-HNNXBMFYSA-N 1 1 292.220 3.999 20 30 CHEDMO C[C@H](CNc1c(Cl)cccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000462781262 331328769 /nfs/dbraw/zinc/32/87/69/331328769.db2.gz XRXBBBGOASOSCL-CHWSQXEVSA-N 1 1 291.826 3.744 20 30 CHEDMO C=C(C)CC[N@H+](C)CCc1cccc(Br)c1 ZINC000463419282 331347287 /nfs/dbraw/zinc/34/72/87/331347287.db2.gz LDTXEZPPWJFFQY-UHFFFAOYSA-N 1 1 282.225 3.890 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C1 ZINC000488472144 332012386 /nfs/dbraw/zinc/01/23/86/332012386.db2.gz XDGSBBJPGRNMEH-DLBZAZTESA-N 1 1 288.460 3.973 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@H]2CCO[C@@H](C)C2)CCCC1(C)C ZINC000489013154 332037673 /nfs/dbraw/zinc/03/76/73/332037673.db2.gz MAGZJCDOKSQCSU-JYJNAYRXSA-N 1 1 265.441 3.868 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(OC)cc2)n1 ZINC000489430440 332051833 /nfs/dbraw/zinc/05/18/33/332051833.db2.gz QRTIIFGBFZIBTE-MRXNPFEDSA-N 1 1 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Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000248452112 1125669428 /nfs/dbraw/zinc/66/94/28/1125669428.db2.gz JIRGSKDMETYQNK-SJORKVTESA-N 1 1 281.403 3.536 20 30 CHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000248452112 1125669430 /nfs/dbraw/zinc/66/94/30/1125669430.db2.gz JIRGSKDMETYQNK-SJORKVTESA-N 1 1 281.403 3.536 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000886354062 1125672744 /nfs/dbraw/zinc/67/27/44/1125672744.db2.gz VHOWUBDWDXIPFO-CYBMUJFWSA-N 1 1 286.400 3.557 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F ZINC000886603447 1125696580 /nfs/dbraw/zinc/69/65/80/1125696580.db2.gz ODTHCDRNOJDCDD-ZBEGNZNMSA-N 1 1 296.345 3.741 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)c1c(O)cccc1F ZINC000886610774 1125696720 /nfs/dbraw/zinc/69/67/20/1125696720.db2.gz JMCBWVWDBMQIFN-NSHDSACASA-N 1 1 264.344 3.512 20 30 CHEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191946950 1125705097 /nfs/dbraw/zinc/70/50/97/1125705097.db2.gz ZHJBSLUUIRBNRD-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO N#CCCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084135133 1125727503 /nfs/dbraw/zinc/72/75/03/1125727503.db2.gz VBCSESXEOSANOP-QGZVFWFLSA-N 1 1 298.386 3.509 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(OC)c1O ZINC000093101027 1125764257 /nfs/dbraw/zinc/76/42/57/1125764257.db2.gz XYGAQVRUKCEEFS-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)o1 ZINC000093479975 1125769685 /nfs/dbraw/zinc/76/96/85/1125769685.db2.gz LGVRDFGBGBBVRX-UHFFFAOYSA-N 1 1 284.334 3.703 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000509686036 1125776614 /nfs/dbraw/zinc/77/66/14/1125776614.db2.gz DTAZHLZMZNORFM-IAGOWNOFSA-N 1 1 254.377 3.724 20 30 CHEDMO C=C(C)CC[N@H+](C)CCc1ccc(Br)cc1 ZINC000509687185 1125776793 /nfs/dbraw/zinc/77/67/93/1125776793.db2.gz IKZFWRLEQWMLJW-UHFFFAOYSA-N 1 1 282.225 3.890 20 30 CHEDMO C=C(C)CC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000509684377 1125778151 /nfs/dbraw/zinc/77/81/51/1125778151.db2.gz UGSZZZOKSCLXNI-OAHLLOKOSA-N 1 1 261.409 3.914 20 30 CHEDMO CCCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000740875308 1129421709 /nfs/dbraw/zinc/42/17/09/1129421709.db2.gz RUUGGWNZFDIGFW-CQSZACIVSA-N 1 1 265.401 3.875 20 30 CHEDMO CCCCCCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000740875308 1129421710 /nfs/dbraw/zinc/42/17/10/1129421710.db2.gz RUUGGWNZFDIGFW-CQSZACIVSA-N 1 1 265.401 3.875 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000740876378 1129422268 /nfs/dbraw/zinc/42/22/68/1129422268.db2.gz SDNWOMCDIKYNDO-QGZVFWFLSA-N 1 1 296.499 3.831 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000740877584 1129422918 /nfs/dbraw/zinc/42/29/18/1129422918.db2.gz KIHLQIXIAFRZPR-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000740877584 1129422921 /nfs/dbraw/zinc/42/29/21/1129422921.db2.gz KIHLQIXIAFRZPR-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238702684 1131234642 /nfs/dbraw/zinc/23/46/42/1131234642.db2.gz OQFYPUNIJLCJIS-AWEZNQCLSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238702684 1131234644 /nfs/dbraw/zinc/23/46/44/1131234644.db2.gz OQFYPUNIJLCJIS-AWEZNQCLSA-N 1 1 290.382 3.739 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(C)cnc1SC ZINC001238719121 1131236434 /nfs/dbraw/zinc/23/64/34/1131236434.db2.gz WCCGMHVCIYYZET-UHFFFAOYSA-N 1 1 250.411 3.510 20 30 CHEDMO CCCC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccccc1 ZINC000801913849 1129958442 /nfs/dbraw/zinc/95/84/42/1129958442.db2.gz OJKGNNVJWIACRC-JKSUJKDBSA-N 1 1 274.408 3.778 20 30 CHEDMO COc1cc(Cl)ccc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903102332 1130111995 /nfs/dbraw/zinc/11/19/95/1130111995.db2.gz WJVYAQCNXNEFSA-JTQLQIEISA-N 1 1 266.772 3.549 20 30 CHEDMO CC(C)[C@@H]([NH2+]CC(C)(C)C#N)c1cc(F)ccc1F ZINC000903101888 1130112509 /nfs/dbraw/zinc/11/25/09/1130112509.db2.gz OPXSWKRPZAMJKA-CQSZACIVSA-N 1 1 266.335 3.801 20 30 CHEDMO C=CCCCC[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001278270916 1131237158 /nfs/dbraw/zinc/23/71/58/1131237158.db2.gz ZCKGLALXEFOTEA-UHFFFAOYSA-N 1 1 276.468 3.683 20 30 CHEDMO CC[N@@H+](Cc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000135280559 1126715382 /nfs/dbraw/zinc/71/53/82/1126715382.db2.gz DDAJBNRJJJAIOE-UHFFFAOYSA-N 1 1 293.414 3.905 20 30 CHEDMO CCCCCCCCCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000748850608 1130250768 /nfs/dbraw/zinc/25/07/68/1130250768.db2.gz GDHIZPYCZCEBFI-UHFFFAOYSA-N 1 1 282.472 3.681 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(C2CC2)no1 ZINC000899998753 1126722670 /nfs/dbraw/zinc/72/26/70/1126722670.db2.gz ULIJCUHPFXMYPZ-GFCCVEGCSA-N 1 1 251.374 3.697 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](CCC(C)(C)C#N)CC1 ZINC000338341427 1126736085 /nfs/dbraw/zinc/73/60/85/1126736085.db2.gz HLMCNFHHBSFVTA-UHFFFAOYSA-N 1 1 258.365 3.699 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000338339107 1126736255 /nfs/dbraw/zinc/73/62/55/1126736255.db2.gz AHVJXELFAWRJFZ-UHFFFAOYSA-N 1 1 278.355 3.831 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cn1 ZINC000338347520 1126736806 /nfs/dbraw/zinc/73/68/06/1126736806.db2.gz AVGLDFQGEXBSAA-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)n1 ZINC001238728418 1131238003 /nfs/dbraw/zinc/23/80/03/1131238003.db2.gz PXFMASCDVFIETC-CYBMUJFWSA-N 1 1 291.826 3.984 20 30 CHEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)n1 ZINC001238728418 1131238000 /nfs/dbraw/zinc/23/80/00/1131238000.db2.gz PXFMASCDVFIETC-CYBMUJFWSA-N 1 1 291.826 3.984 20 30 CHEDMO CCCCCCCC[C@H](CC)OCC[NH+]1CCN(C)CC1 ZINC001224550470 1126745970 /nfs/dbraw/zinc/74/59/70/1126745970.db2.gz VOLUTISEVKIUIU-SFHVURJKSA-N 1 1 298.515 3.780 20 30 CHEDMO CCCCCCCCO[C@H]1CCc2[nH+]ccn2C1 ZINC001224570369 1126752045 /nfs/dbraw/zinc/75/20/45/1126752045.db2.gz LDPPWXGTJDSQPF-AWEZNQCLSA-N 1 1 250.386 3.575 20 30 CHEDMO C=CC[NH+](CC=C)Cc1csc(Br)c1 ZINC000042381657 1126754610 /nfs/dbraw/zinc/75/46/10/1126754610.db2.gz UFGCIXQXSFEKLZ-UHFFFAOYSA-N 1 1 272.211 3.685 20 30 CHEDMO Cc1cc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C#N)cc2c(C)c1 ZINC000482514042 1126762700 /nfs/dbraw/zinc/76/27/00/1126762700.db2.gz SFKJHTKEGBZNLG-CZUORRHYSA-N 1 1 267.376 3.567 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)CC1(OC)CCCC1 ZINC000483157333 1126770942 /nfs/dbraw/zinc/77/09/42/1126770942.db2.gz OTEACKDYHVEVQR-UHFFFAOYSA-N 1 1 259.393 3.634 20 30 CHEDMO CCC(CC)c1cc(C[NH2+]Cc2cccc(C#N)c2)on1 ZINC000174547616 1126771647 /nfs/dbraw/zinc/77/16/47/1126771647.db2.gz QGJNSFTXZSWBEJ-UHFFFAOYSA-N 1 1 283.375 3.740 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000174843263 1126773583 /nfs/dbraw/zinc/77/35/83/1126773583.db2.gz JHKDTWQDZZGULM-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000174843263 1126773585 /nfs/dbraw/zinc/77/35/85/1126773585.db2.gz JHKDTWQDZZGULM-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO COc1ccccc1C[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000174823734 1126773938 /nfs/dbraw/zinc/77/39/38/1126773938.db2.gz LRXULWIJKLMOGM-UHFFFAOYSA-N 1 1 286.419 3.990 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000175122224 1126777852 /nfs/dbraw/zinc/77/78/52/1126777852.db2.gz MOKHDGXTCXLYHR-GOSISDBHSA-N 1 1 279.387 3.624 20 30 CHEDMO N#CCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175863396 1126786182 /nfs/dbraw/zinc/78/61/82/1126786182.db2.gz QVPQSDPBQSDXLN-CABCVRRESA-N 1 1 292.448 3.720 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000483508659 1126790167 /nfs/dbraw/zinc/79/01/67/1126790167.db2.gz AAOMJZSVGVLYHZ-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCCC#N)cc1OC ZINC000160961181 1126791777 /nfs/dbraw/zinc/79/17/77/1126791777.db2.gz ZZGCHAKFGUWZQS-HNNXBMFYSA-N 1 1 288.391 3.535 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000138909624 1126793578 /nfs/dbraw/zinc/79/35/78/1126793578.db2.gz LWVNBAOGRNVGKZ-SFHVURJKSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000138909624 1126793581 /nfs/dbraw/zinc/79/35/81/1126793581.db2.gz LWVNBAOGRNVGKZ-SFHVURJKSA-N 1 1 296.345 3.740 20 30 CHEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000483590796 1126793869 /nfs/dbraw/zinc/79/38/69/1126793869.db2.gz IHWYQTLZLGRLHC-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483607136 1126794841 /nfs/dbraw/zinc/79/48/41/1126794841.db2.gz NFZPXYLVFWZHNF-HNNXBMFYSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000483725322 1126798491 /nfs/dbraw/zinc/79/84/91/1126798491.db2.gz IGXAXQIHPIMROB-AEFFLSMTSA-N 1 1 253.389 3.550 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1F ZINC000483937292 1126805345 /nfs/dbraw/zinc/80/53/45/1126805345.db2.gz FPIGMLAOBNKKNG-KRWDZBQOSA-N 1 1 280.346 3.514 20 30 CHEDMO C(#Cc1ccccc1)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000483936168 1126805825 /nfs/dbraw/zinc/80/58/25/1126805825.db2.gz YNRXXVWUGGJSTA-IBGZPJMESA-N 1 1 293.435 3.828 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000483936168 1126805829 /nfs/dbraw/zinc/80/58/29/1126805829.db2.gz YNRXXVWUGGJSTA-IBGZPJMESA-N 1 1 293.435 3.828 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000483968221 1126806497 /nfs/dbraw/zinc/80/64/97/1126806497.db2.gz BAXBAYKEDOWGLE-HXUWFJFHSA-N 1 1 275.395 3.603 20 30 CHEDMO CC[C@@H](CC#N)[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001255172777 1130545151 /nfs/dbraw/zinc/54/51/51/1130545151.db2.gz GFYULKOQZUMVLW-STQMWFEESA-N 1 1 262.784 3.822 20 30 CHEDMO Cc1ccc2c(c1)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000483984900 1126807747 /nfs/dbraw/zinc/80/77/47/1126807747.db2.gz KRLCSVNGVCZZSZ-UHFFFAOYSA-N 1 1 256.393 3.683 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001255172777 1130545146 /nfs/dbraw/zinc/54/51/46/1130545146.db2.gz GFYULKOQZUMVLW-STQMWFEESA-N 1 1 262.784 3.822 20 30 CHEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000484347581 1126814899 /nfs/dbraw/zinc/81/48/99/1126814899.db2.gz HFOFXDJEJWVPPY-HNNXBMFYSA-N 1 1 295.348 3.949 20 30 CHEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000484347581 1126814903 /nfs/dbraw/zinc/81/49/03/1126814903.db2.gz HFOFXDJEJWVPPY-HNNXBMFYSA-N 1 1 295.348 3.949 20 30 CHEDMO CC[C@@H]([NH2+]Cc1sccc1C)c1cccc(C#N)c1O ZINC000924793056 1126815851 /nfs/dbraw/zinc/81/58/51/1126815851.db2.gz PORHUOLNLPLALY-CQSZACIVSA-N 1 1 286.400 3.875 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC001255172343 1130545814 /nfs/dbraw/zinc/54/58/14/1130545814.db2.gz NOTICCWNDYPTNS-DZGCQCFKSA-N 1 1 258.365 3.524 20 30 CHEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC001255172343 1130545821 /nfs/dbraw/zinc/54/58/21/1130545821.db2.gz NOTICCWNDYPTNS-DZGCQCFKSA-N 1 1 258.365 3.524 20 30 CHEDMO C=CC[N@H+](CCOC)C1c2ccccc2-c2ccccc21 ZINC000484560748 1126827748 /nfs/dbraw/zinc/82/77/48/1126827748.db2.gz YGZDILYKXVAFGR-UHFFFAOYSA-N 1 1 279.383 3.891 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179430836 1126828399 /nfs/dbraw/zinc/82/83/99/1126828399.db2.gz KYBJEBTUFHFYAJ-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179430836 1126828403 /nfs/dbraw/zinc/82/84/03/1126828403.db2.gz KYBJEBTUFHFYAJ-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)CC(C)(C)CCC#N)c1 ZINC000179772368 1126834250 /nfs/dbraw/zinc/83/42/50/1126834250.db2.gz WYORJYZOYMVVLU-UHFFFAOYSA-N 1 1 274.408 3.636 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc21 ZINC000179907995 1126836072 /nfs/dbraw/zinc/83/60/72/1126836072.db2.gz AHMVWUVIJQVICB-MRXNPFEDSA-N 1 1 268.385 3.739 20 30 CHEDMO COc1cc(Nc2ccc(C#N)cc2Cl)[nH+]cc1C ZINC001213995762 1126845830 /nfs/dbraw/zinc/84/58/30/1126845830.db2.gz LKMZMJGSSFVVEL-UHFFFAOYSA-N 1 1 273.723 3.667 20 30 CHEDMO Clc1cccc(C#CC[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000180867999 1126849096 /nfs/dbraw/zinc/84/90/96/1126849096.db2.gz IEXZVYMBNJSEPH-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO Clc1cccc(C#CC[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000180867999 1126849099 /nfs/dbraw/zinc/84/90/99/1126849099.db2.gz IEXZVYMBNJSEPH-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000904537853 1126856687 /nfs/dbraw/zinc/85/66/87/1126856687.db2.gz MLRTZHXJHRWTMB-CYBMUJFWSA-N 1 1 282.347 3.574 20 30 CHEDMO CCn1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000181578318 1126857632 /nfs/dbraw/zinc/85/76/32/1126857632.db2.gz UOFPFWJLCKKLPT-YOEHRIQHSA-N 1 1 282.391 3.599 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc([C@H]2CCCOC2)no1 ZINC000904693812 1126866449 /nfs/dbraw/zinc/86/64/49/1126866449.db2.gz BYBNQTXVBXTPPB-UONOGXRCSA-N 1 1 295.427 3.714 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)c2cccs2)no1 ZINC000904617315 1126862878 /nfs/dbraw/zinc/86/28/78/1126862878.db2.gz TZUYNUPLYYXTHL-WDEREUQCSA-N 1 1 277.393 3.639 20 30 CHEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000182586200 1126874480 /nfs/dbraw/zinc/87/44/80/1126874480.db2.gz ICBATIDTARCRHM-IUODEOHRSA-N 1 1 275.783 3.824 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000183674002 1126891053 /nfs/dbraw/zinc/89/10/53/1126891053.db2.gz CBLCQXRFJJXENB-MRXNPFEDSA-N 1 1 294.398 3.677 20 30 CHEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000186453949 1126906888 /nfs/dbraw/zinc/90/68/88/1126906888.db2.gz CSEPVNKUSZZHIT-BDJLRTHQSA-N 1 1 291.345 3.666 20 30 CHEDMO COc1ccccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189346491 1126931434 /nfs/dbraw/zinc/93/14/34/1126931434.db2.gz JKYWDMXRAMRZOB-CQSZACIVSA-N 1 1 280.371 3.760 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)Cc1ccsc1 ZINC000190260388 1126940829 /nfs/dbraw/zinc/94/08/29/1126940829.db2.gz MFOQDAGECGCOCW-GFCCVEGCSA-N 1 1 274.389 3.666 20 30 CHEDMO CC[C@](C)([NH2+]CC#Cc1ccccc1)c1nc(C)cs1 ZINC000192112446 1126958324 /nfs/dbraw/zinc/95/83/24/1126958324.db2.gz WTQDHYLTQPEOFJ-KRWDZBQOSA-N 1 1 284.428 3.718 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000485887079 1126960908 /nfs/dbraw/zinc/96/09/08/1126960908.db2.gz FHLVPPLGXCOXSQ-KSZLIROESA-N 1 1 280.415 3.948 20 30 CHEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CCCSCC#N ZINC000266754410 1126987478 /nfs/dbraw/zinc/98/74/78/1126987478.db2.gz RHYXREATPJBKDH-AWEZNQCLSA-N 1 1 262.422 3.635 20 30 CHEDMO C=CC[C@H](C)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000715801462 1126997935 /nfs/dbraw/zinc/99/79/35/1126997935.db2.gz UDQJYXKVXBCIFW-JTQLQIEISA-N 1 1 266.182 3.729 20 30 CHEDMO C=CC[C@H](C)[N@H+]1Cc2ccc(Br)cc2C1 ZINC000715801462 1126997938 /nfs/dbraw/zinc/99/79/38/1126997938.db2.gz UDQJYXKVXBCIFW-JTQLQIEISA-N 1 1 266.182 3.729 20 30 CHEDMO COC1CCC([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000267341815 1126998248 /nfs/dbraw/zinc/99/82/48/1126998248.db2.gz CKVOSYYSWQLVNF-UHFFFAOYSA-N 1 1 291.822 3.581 20 30 CHEDMO CCCCC[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000486815230 1127004561 /nfs/dbraw/zinc/00/45/61/1127004561.db2.gz YLTHCZUYVLIZFG-CQSZACIVSA-N 1 1 254.443 3.678 20 30 CHEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000486801687 1127004866 /nfs/dbraw/zinc/00/48/66/1127004866.db2.gz LLOCCEFAOVRGAU-UHFFFAOYSA-N 1 1 264.372 3.889 20 30 CHEDMO C=CCCCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000486807037 1127005023 /nfs/dbraw/zinc/00/50/23/1127005023.db2.gz DCTKHLCDCUOXHT-UHFFFAOYSA-N 1 1 264.457 3.683 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000268723106 1127022124 /nfs/dbraw/zinc/02/21/24/1127022124.db2.gz CSKJFSFQSJPUDE-ZDUSSCGKSA-N 1 1 271.389 3.737 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000268723106 1127022127 /nfs/dbraw/zinc/02/21/27/1127022127.db2.gz CSKJFSFQSJPUDE-ZDUSSCGKSA-N 1 1 271.389 3.737 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1F)CC1CCCCC1 ZINC000042340341 1127038660 /nfs/dbraw/zinc/03/86/60/1127038660.db2.gz CFDAXNVRXDXBDZ-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO COCc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)o1 ZINC000269628357 1127043339 /nfs/dbraw/zinc/04/33/39/1127043339.db2.gz SUIPLTQFDWWDBU-QGZVFWFLSA-N 1 1 284.359 3.561 20 30 CHEDMO C=CCC(C)(C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000815142504 1130965534 /nfs/dbraw/zinc/96/55/34/1130965534.db2.gz UFYKRCUCYDMZAD-UHFFFAOYSA-N 1 1 271.763 3.877 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)ccc1C#N ZINC000488233388 1127063388 /nfs/dbraw/zinc/06/33/88/1127063388.db2.gz QNCQGCGLHARJRO-AWEZNQCLSA-N 1 1 280.371 3.765 20 30 CHEDMO CC[N@@H+](Cc1ccc(COC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000271098759 1127068501 /nfs/dbraw/zinc/06/85/01/1127068501.db2.gz OHWLURLRKMCGGY-CQSZACIVSA-N 1 1 298.386 3.881 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)s1 ZINC000271085053 1127068186 /nfs/dbraw/zinc/06/81/86/1127068186.db2.gz BMZSRNFATACWJG-UHFFFAOYSA-N 1 1 276.430 3.746 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271176494 1127071438 /nfs/dbraw/zinc/07/14/38/1127071438.db2.gz UOHHVCBJGKIQDI-OAHLLOKOSA-N 1 1 274.383 3.945 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000339128057 1127114251 /nfs/dbraw/zinc/11/42/51/1127114251.db2.gz ORQJFZMXEMKNAW-GXFFZTMASA-N 1 1 266.747 3.603 20 30 CHEDMO CC(C)c1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000570959149 1127151207 /nfs/dbraw/zinc/15/12/07/1127151207.db2.gz XOXCNFNQASUVEL-UHFFFAOYSA-N 1 1 277.437 3.782 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000349853027 1127164727 /nfs/dbraw/zinc/16/47/27/1127164727.db2.gz HJZBXNIBZFAMHZ-UHFFFAOYSA-N 1 1 273.767 3.624 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000349853027 1127164731 /nfs/dbraw/zinc/16/47/31/1127164731.db2.gz HJZBXNIBZFAMHZ-UHFFFAOYSA-N 1 1 273.767 3.624 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000350115288 1127173166 /nfs/dbraw/zinc/17/31/66/1127173166.db2.gz MBEUHKWYDNLICZ-CYBMUJFWSA-N 1 1 256.459 3.780 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000350313623 1127177127 /nfs/dbraw/zinc/17/71/27/1127177127.db2.gz ADVGODJTUDRWBT-HNNXBMFYSA-N 1 1 274.408 3.990 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC3(CCCC3)C2)c(F)cc1F ZINC001237535370 1131111307 /nfs/dbraw/zinc/11/13/07/1131111307.db2.gz XVVTWRUBHDJEIP-UHFFFAOYSA-N 1 1 276.330 3.603 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000351406186 1127188947 /nfs/dbraw/zinc/18/89/47/1127188947.db2.gz DCVURIRIVJTMBU-DOTOQJQBSA-N 1 1 256.393 3.732 20 30 CHEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000351590538 1127196044 /nfs/dbraw/zinc/19/60/44/1127196044.db2.gz WLJPKGNHDFZFSU-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO COCC[N@H+](Cc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000351594100 1127196395 /nfs/dbraw/zinc/19/63/95/1127196395.db2.gz CAFLIGPENIBWIY-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000351594100 1127196398 /nfs/dbraw/zinc/19/63/98/1127196398.db2.gz CAFLIGPENIBWIY-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO C[C@]12CC[N@H+](CC#Cc3ccccc3)C[C@H]1C2(Cl)Cl ZINC000284890938 1127210994 /nfs/dbraw/zinc/21/09/94/1127210994.db2.gz UGXYQBIKHHPQKA-CABCVRRESA-N 1 1 294.225 3.554 20 30 CHEDMO C[C@]12CC[N@@H+](CC#Cc3ccccc3)C[C@H]1C2(Cl)Cl ZINC000284890938 1127210995 /nfs/dbraw/zinc/21/09/95/1127210995.db2.gz UGXYQBIKHHPQKA-CABCVRRESA-N 1 1 294.225 3.554 20 30 CHEDMO COc1cc(C[NH2+]Cc2cscc2Cl)ccc1C#N ZINC000589325056 1127217701 /nfs/dbraw/zinc/21/77/01/1127217701.db2.gz QTCBJYWZFIQCHZ-UHFFFAOYSA-N 1 1 292.791 3.572 20 30 CHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CCCCCCCC)C1=O ZINC001275115341 1127237205 /nfs/dbraw/zinc/23/72/05/1127237205.db2.gz VXWWXQWANMIGIF-GOSISDBHSA-N 1 1 292.467 3.600 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000590025137 1127244399 /nfs/dbraw/zinc/24/43/99/1127244399.db2.gz VFDVRMCVUWKTFP-OAHLLOKOSA-N 1 1 292.382 3.650 20 30 CHEDMO C=C[C@H](C)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000165861380 1127250010 /nfs/dbraw/zinc/25/00/10/1127250010.db2.gz XKLHLUYBPJOGSQ-VIFPVBQESA-N 1 1 250.392 3.536 20 30 CHEDMO CCc1nocc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590199952 1127251629 /nfs/dbraw/zinc/25/16/29/1127251629.db2.gz LDMIQTPYRQQKQN-UHFFFAOYSA-N 1 1 297.402 3.670 20 30 CHEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590199952 1127251630 /nfs/dbraw/zinc/25/16/30/1127251630.db2.gz LDMIQTPYRQQKQN-UHFFFAOYSA-N 1 1 297.402 3.670 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600881 1127264324 /nfs/dbraw/zinc/26/43/24/1127264324.db2.gz OJKLLSWTCSVPLZ-MAUKXSAKSA-N 1 1 291.398 3.894 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590639003 1127265965 /nfs/dbraw/zinc/26/59/65/1127265965.db2.gz QSPJODXQQFAJNR-UHFFFAOYSA-N 1 1 277.755 3.605 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590639003 1127265967 /nfs/dbraw/zinc/26/59/67/1127265967.db2.gz QSPJODXQQFAJNR-UHFFFAOYSA-N 1 1 277.755 3.605 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600851 1127264654 /nfs/dbraw/zinc/26/46/54/1127264654.db2.gz NQLJPAVHMOUUDZ-QAPCUYQASA-N 1 1 291.398 3.894 20 30 CHEDMO C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1F ZINC000591025455 1127284429 /nfs/dbraw/zinc/28/44/29/1127284429.db2.gz KHAKEHZLZPBYJH-KBPBESRZSA-N 1 1 252.377 3.530 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000354044187 1127288361 /nfs/dbraw/zinc/28/83/61/1127288361.db2.gz GQWQEZNWRDOBMN-HNNXBMFYSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000354044187 1127288366 /nfs/dbraw/zinc/28/83/66/1127288366.db2.gz GQWQEZNWRDOBMN-HNNXBMFYSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000057974311 1127295881 /nfs/dbraw/zinc/29/58/81/1127295881.db2.gz HIAYSKSNTRVXOZ-AWEZNQCLSA-N 1 1 298.361 3.769 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000591378620 1127299897 /nfs/dbraw/zinc/29/98/97/1127299897.db2.gz GPSBJDMKGDJKRZ-QGZVFWFLSA-N 1 1 286.444 3.584 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@]12CCN([C@@H](C)CC)C2=O ZINC001275326592 1127308968 /nfs/dbraw/zinc/30/89/68/1127308968.db2.gz ZDGXTRLHMOKWLO-FUHWJXTLSA-N 1 1 292.467 3.598 20 30 CHEDMO CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592073020 1127334226 /nfs/dbraw/zinc/33/42/26/1127334226.db2.gz CISXOUKRZNUASP-UHFFFAOYSA-N 1 1 279.387 3.754 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592073020 1127334229 /nfs/dbraw/zinc/33/42/29/1127334229.db2.gz CISXOUKRZNUASP-UHFFFAOYSA-N 1 1 279.387 3.754 20 30 CHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)c1 ZINC000592073566 1127335224 /nfs/dbraw/zinc/33/52/24/1127335224.db2.gz HPGRBDREDMPSNO-IBGZPJMESA-N 1 1 291.398 3.907 20 30 CHEDMO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccncc1C#N ZINC000592070160 1127335292 /nfs/dbraw/zinc/33/52/92/1127335292.db2.gz GYOPMMUFJDRSAO-GOSISDBHSA-N 1 1 279.387 3.782 20 30 CHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592070160 1127335297 /nfs/dbraw/zinc/33/52/97/1127335297.db2.gz GYOPMMUFJDRSAO-GOSISDBHSA-N 1 1 279.387 3.782 20 30 CHEDMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592095420 1127335624 /nfs/dbraw/zinc/33/56/24/1127335624.db2.gz WGVPPWYQHSVVRN-AWEZNQCLSA-N 1 1 295.386 3.591 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccc(C2CC2)c1 ZINC000592121745 1127335650 /nfs/dbraw/zinc/33/56/50/1127335650.db2.gz CIJYHVKZZYYHOX-CYBMUJFWSA-N 1 1 277.371 3.681 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccsc3)CC2)cc1 ZINC000355370087 1127336474 /nfs/dbraw/zinc/33/64/74/1127336474.db2.gz VCADOPDXIIJWED-UHFFFAOYSA-N 1 1 280.396 3.909 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccncc1C#N ZINC000592127252 1127336682 /nfs/dbraw/zinc/33/66/82/1127336682.db2.gz YKAIQWBFLBPDEN-CLCXKQKWSA-N 1 1 291.398 3.720 20 30 CHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CC1(C#N)CC1 ZINC000592138574 1127336722 /nfs/dbraw/zinc/33/67/22/1127336722.db2.gz YIAHYELEVMKQLC-MRXNPFEDSA-N 1 1 272.367 3.526 20 30 CHEDMO N#CC1(C[NH2+]C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000592185330 1127338084 /nfs/dbraw/zinc/33/80/84/1127338084.db2.gz XIQKQVCKXDZFAY-UHFFFAOYSA-N 1 1 260.768 3.613 20 30 CHEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1csc(C)c1 ZINC000592187204 1127338604 /nfs/dbraw/zinc/33/86/04/1127338604.db2.gz IFEYNRRVSXNYOM-OCCSQVGLSA-N 1 1 261.394 3.541 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2n(n1)CCCC2 ZINC000592386831 1127346011 /nfs/dbraw/zinc/34/60/11/1127346011.db2.gz CIDBNYVECWCYCD-KBPBESRZSA-N 1 1 294.402 3.503 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc2n(n1)CCCC2 ZINC000592387584 1127346097 /nfs/dbraw/zinc/34/60/97/1127346097.db2.gz ULKVQVOTONQDPJ-UONOGXRCSA-N 1 1 294.402 3.503 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194032 1127346164 /nfs/dbraw/zinc/34/61/64/1127346164.db2.gz OFEBYPNDJJEDHD-LSDHHAIUSA-N 1 1 284.403 3.653 20 30 CHEDMO N#Cc1ccccc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000058580377 1127362426 /nfs/dbraw/zinc/36/24/26/1127362426.db2.gz JYGXQKUAOJECTE-UHFFFAOYSA-N 1 1 297.446 3.651 20 30 CHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CCCCC#N ZINC000593047374 1127369470 /nfs/dbraw/zinc/36/94/70/1127369470.db2.gz ZQRWISKTMJYUEX-AWEZNQCLSA-N 1 1 262.422 3.793 20 30 CHEDMO N#CCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593084302 1127373681 /nfs/dbraw/zinc/37/36/81/1127373681.db2.gz ROISSFUOGMBYII-OAHLLOKOSA-N 1 1 260.356 3.526 20 30 CHEDMO N#CC1(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)CC1 ZINC000593079254 1127375210 /nfs/dbraw/zinc/37/52/10/1127375210.db2.gz BYDHULNOIIKNRR-HNNXBMFYSA-N 1 1 272.367 3.526 20 30 CHEDMO N#CC1(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)CC1 ZINC000593079254 1127375213 /nfs/dbraw/zinc/37/52/13/1127375213.db2.gz BYDHULNOIIKNRR-HNNXBMFYSA-N 1 1 272.367 3.526 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593124812 1127375625 /nfs/dbraw/zinc/37/56/25/1127375625.db2.gz JKQZMKDXEQKKKS-BZSNNMDCSA-N 1 1 298.430 3.921 20 30 CHEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)C(C)C ZINC000289573309 1127384242 /nfs/dbraw/zinc/38/42/42/1127384242.db2.gz SPWDEXBRBYXNOX-ZDUSSCGKSA-N 1 1 276.430 3.619 20 30 CHEDMO Cc1cc(Cl)cc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593654498 1127394011 /nfs/dbraw/zinc/39/40/11/1127394011.db2.gz DUAJDZPDWWKFML-UHFFFAOYSA-N 1 1 262.784 3.822 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CCCc1c(F)cccc1F)C1CC1 ZINC000593967637 1127404373 /nfs/dbraw/zinc/40/43/73/1127404373.db2.gz CRAMRQCAWNPBRK-LBPRGKRZSA-N 1 1 278.346 3.521 20 30 CHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CCCCC#N)c2C1 ZINC000594325591 1127414092 /nfs/dbraw/zinc/41/40/92/1127414092.db2.gz JBLPRFIAHLWJFO-UHFFFAOYSA-N 1 1 299.418 3.681 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000158018564 1127414666 /nfs/dbraw/zinc/41/46/66/1127414666.db2.gz XWOALHKMAHLPAM-IYBDPMFKSA-N 1 1 285.435 3.514 20 30 CHEDMO CCc1nc(C)c(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594521819 1127421942 /nfs/dbraw/zinc/42/19/42/1127421942.db2.gz VIORULJVJKJMIN-UHFFFAOYSA-N 1 1 297.402 3.636 20 30 CHEDMO C[C@H](C[N@H+]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1 ZINC000594610907 1127425651 /nfs/dbraw/zinc/42/56/51/1127425651.db2.gz HLTVSXQQWDAPOH-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000594710491 1127429231 /nfs/dbraw/zinc/42/92/31/1127429231.db2.gz IPUWEUYAWJPYFS-OAHLLOKOSA-N 1 1 295.411 3.948 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000358869547 1127436946 /nfs/dbraw/zinc/43/69/46/1127436946.db2.gz HYNGVGVYCVGNSE-INIZCTEOSA-N 1 1 283.419 3.775 20 30 CHEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594942677 1127439349 /nfs/dbraw/zinc/43/93/49/1127439349.db2.gz YTQXCGIJDNIWIQ-ZDUSSCGKSA-N 1 1 297.427 3.858 20 30 CHEDMO N#CC1(C[NH2+]Cc2nccc3ccccc32)CCCCC1 ZINC000594980899 1127442925 /nfs/dbraw/zinc/44/29/25/1127442925.db2.gz COLJXTRAJNCPKA-UHFFFAOYSA-N 1 1 279.387 3.798 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc(C3CCC3)s2)CCCCC1 ZINC000594982094 1127442994 /nfs/dbraw/zinc/44/29/94/1127442994.db2.gz YJNLNCLQQKMVJW-UHFFFAOYSA-N 1 1 289.448 3.974 20 30 CHEDMO C=CC[N@H+](CC/C=C/CC)Cc1cccc(C#N)c1 ZINC000466836142 1127452214 /nfs/dbraw/zinc/45/22/14/1127452214.db2.gz DVQFZVUIQJDXKY-AATRIKPKSA-N 1 1 254.377 3.903 20 30 CHEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cn1 ZINC000595091199 1127454703 /nfs/dbraw/zinc/45/47/03/1127454703.db2.gz NTUUDPQIQWRYJC-INIZCTEOSA-N 1 1 289.398 3.981 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1F ZINC000595092176 1127454801 /nfs/dbraw/zinc/45/48/01/1127454801.db2.gz YIYBQYMSBCDKEQ-ZDUSSCGKSA-N 1 1 290.382 3.959 20 30 CHEDMO CC[N@@H+](CC1CC=CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295584 1127457313 /nfs/dbraw/zinc/45/73/13/1127457313.db2.gz MGFPSMANTZXFKQ-CQSZACIVSA-N 1 1 254.377 3.907 20 30 CHEDMO CC[C@H](CC(F)F)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000595289185 1127457345 /nfs/dbraw/zinc/45/73/45/1127457345.db2.gz QCTNTTVPJTYVKU-GFCCVEGCSA-N 1 1 266.335 3.671 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)CC1CC=CC1 ZINC000595297157 1127457943 /nfs/dbraw/zinc/45/79/43/1127457943.db2.gz PUDSBRJARWLOMV-UHFFFAOYSA-N 1 1 252.361 3.512 20 30 CHEDMO CC[N@H+](CCSc1ccc(F)cc1F)C[C@@H](C)C#N ZINC000595297903 1127458362 /nfs/dbraw/zinc/45/83/62/1127458362.db2.gz KITHPJBOKUFQIU-NSHDSACASA-N 1 1 284.375 3.538 20 30 CHEDMO CC[N@@H+](CCSc1ccc(F)cc1F)C[C@@H](C)C#N ZINC000595297903 1127458364 /nfs/dbraw/zinc/45/83/64/1127458364.db2.gz KITHPJBOKUFQIU-NSHDSACASA-N 1 1 284.375 3.538 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000595343343 1127458920 /nfs/dbraw/zinc/45/89/20/1127458920.db2.gz YGYZDPVABRUAHW-SFHVURJKSA-N 1 1 262.356 3.548 20 30 CHEDMO CC[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](C)C#N ZINC000595305821 1127459822 /nfs/dbraw/zinc/45/98/22/1127459822.db2.gz RKCKCEUIXIERDI-HOCLYGCPSA-N 1 1 256.393 3.588 20 30 CHEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000574999038 1127460367 /nfs/dbraw/zinc/46/03/67/1127460367.db2.gz KZJXMLZVGKQJAH-GFCCVEGCSA-N 1 1 287.325 3.901 20 30 CHEDMO CC(C)[N@@H+](CCc1ccc(C#N)cc1)C1CCCC1 ZINC000595365156 1127461690 /nfs/dbraw/zinc/46/16/90/1127461690.db2.gz YEADXGNIQYIIAX-UHFFFAOYSA-N 1 1 256.393 3.754 20 30 CHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595457070 1127463704 /nfs/dbraw/zinc/46/37/04/1127463704.db2.gz WJWNDNLOGUZTAR-AWEZNQCLSA-N 1 1 296.336 3.764 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000595521185 1127464971 /nfs/dbraw/zinc/46/49/71/1127464971.db2.gz XHFFFGYPPRXCTI-GOSISDBHSA-N 1 1 292.382 3.921 20 30 CHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCCC#N)[C@H]2C ZINC000359537482 1127466455 /nfs/dbraw/zinc/46/64/55/1127466455.db2.gz LFXSRIZIKXUHJR-KGLIPLIRSA-N 1 1 272.392 3.697 20 30 CHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCCC#N)[C@@H]2C ZINC000359537488 1127466635 /nfs/dbraw/zinc/46/66/35/1127466635.db2.gz LFXSRIZIKXUHJR-ZIAGYGMSSA-N 1 1 272.392 3.697 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000595609908 1127470456 /nfs/dbraw/zinc/47/04/56/1127470456.db2.gz QHBHPHQCQWJTQI-CYBMUJFWSA-N 1 1 299.349 3.606 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000595609908 1127470458 /nfs/dbraw/zinc/47/04/58/1127470458.db2.gz QHBHPHQCQWJTQI-CYBMUJFWSA-N 1 1 299.349 3.606 20 30 CHEDMO Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595611096 1127470518 /nfs/dbraw/zinc/47/05/18/1127470518.db2.gz GUUSTSTWTFCMOK-QGZVFWFLSA-N 1 1 286.419 3.698 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1SC ZINC000595615910 1127471109 /nfs/dbraw/zinc/47/11/09/1127471109.db2.gz UNBDGPRFNCLSGU-CYBMUJFWSA-N 1 1 290.432 3.543 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)COC ZINC000595648885 1127471324 /nfs/dbraw/zinc/47/13/24/1127471324.db2.gz VRBNNWPYOQVGAL-HNNXBMFYSA-N 1 1 286.419 3.511 20 30 CHEDMO N#CCSCCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595734520 1127475097 /nfs/dbraw/zinc/47/50/97/1127475097.db2.gz NISVOMFGVPTFAN-HNNXBMFYSA-N 1 1 266.454 3.535 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595757086 1127476030 /nfs/dbraw/zinc/47/60/30/1127476030.db2.gz ZAKIHCMCDACIOP-ZFWWWQNUSA-N 1 1 260.356 3.691 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788315 1127477555 /nfs/dbraw/zinc/47/75/55/1127477555.db2.gz IXJUEDXOFNKTMB-AYOQOUSVSA-N 1 1 298.430 3.900 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000595845397 1127477916 /nfs/dbraw/zinc/47/79/16/1127477916.db2.gz NKSGWEADBKSRRS-MCIONIFRSA-N 1 1 289.375 3.619 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000595844934 1127478400 /nfs/dbraw/zinc/47/84/00/1127478400.db2.gz IMWFWPCURSYQAL-CALCHBBNSA-N 1 1 282.387 3.510 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC3CC2(c2ccccc2)C3)ccc1F ZINC000595911603 1127480039 /nfs/dbraw/zinc/48/00/39/1127480039.db2.gz PYDGYEDLMRVCJP-UHFFFAOYSA-N 1 1 292.357 3.818 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832422 1127478828 /nfs/dbraw/zinc/47/88/28/1127478828.db2.gz QDRVPXALTBCYOY-HNAYVOBHSA-N 1 1 292.382 3.773 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831034 1127478847 /nfs/dbraw/zinc/47/88/47/1127478847.db2.gz KUKYVIHLDSMUHZ-DNVCBOLYSA-N 1 1 292.382 3.773 20 30 CHEDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cccc(C(F)F)c1C#N ZINC000596307745 1127490971 /nfs/dbraw/zinc/49/09/71/1127490971.db2.gz DLQCMEVQBGTCKS-NSHDSACASA-N 1 1 293.361 3.781 20 30 CHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCCC#N)c1 ZINC000360465655 1127499425 /nfs/dbraw/zinc/49/94/25/1127499425.db2.gz GSWFELVBLKXNBG-YOEHRIQHSA-N 1 1 272.392 3.772 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccncc1 ZINC000596595377 1127509912 /nfs/dbraw/zinc/50/99/12/1127509912.db2.gz YRLVBHHIDSIZEE-GOSISDBHSA-N 1 1 291.398 3.731 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001231662038 1127512445 /nfs/dbraw/zinc/51/24/45/1127512445.db2.gz CYQURKSHBNPGGU-UHFFFAOYSA-N 1 1 271.379 3.772 20 30 CHEDMO CCCC[N@H+](C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360823393 1127513541 /nfs/dbraw/zinc/51/35/41/1127513541.db2.gz VMRMRXBFCQWNGU-LJQANCHMSA-N 1 1 299.462 3.647 20 30 CHEDMO CCCC[N@@H+](C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360823393 1127513544 /nfs/dbraw/zinc/51/35/44/1127513544.db2.gz VMRMRXBFCQWNGU-LJQANCHMSA-N 1 1 299.462 3.647 20 30 CHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)[C@@H]1c1ccncc1 ZINC000293839931 1127524607 /nfs/dbraw/zinc/52/46/07/1127524607.db2.gz HBPFFKYOCRWOIK-QGZVFWFLSA-N 1 1 277.371 3.536 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1c1ccncc1 ZINC000293839931 1127524610 /nfs/dbraw/zinc/52/46/10/1127524610.db2.gz HBPFFKYOCRWOIK-QGZVFWFLSA-N 1 1 277.371 3.536 20 30 CHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228013009 1127520679 /nfs/dbraw/zinc/52/06/79/1127520679.db2.gz IJXMWAUMFIDJMP-SJLPKXTDSA-N 1 1 284.403 3.592 20 30 CHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)CC2 ZINC000601318692 1127521089 /nfs/dbraw/zinc/52/10/89/1127521089.db2.gz PXTWPHGRLYBFNY-ROUUACIJSA-N 1 1 298.336 3.985 20 30 CHEDMO CCCn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000596979024 1127522825 /nfs/dbraw/zinc/52/28/25/1127522825.db2.gz FDHLDPMWEXMFMM-UHFFFAOYSA-N 1 1 296.418 3.575 20 30 CHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000597007233 1127523355 /nfs/dbraw/zinc/52/33/55/1127523355.db2.gz AWAJTYSQCIJEGO-UONOGXRCSA-N 1 1 286.444 3.568 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cc2)CC1 ZINC000597138567 1127529695 /nfs/dbraw/zinc/52/96/95/1127529695.db2.gz SSIUPHLXTFREFO-RTBURBONSA-N 1 1 292.426 3.862 20 30 CHEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000060467014 1127530277 /nfs/dbraw/zinc/53/02/77/1127530277.db2.gz YIWFMSCDXMQOOG-SFHVURJKSA-N 1 1 292.382 3.556 20 30 CHEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597026460 1127525298 /nfs/dbraw/zinc/52/52/98/1127525298.db2.gz IILPIQAJSGDWTG-INIZCTEOSA-N 1 1 268.404 3.720 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](c4ccco4)C3)cc2)CC1 ZINC000597017487 1127525966 /nfs/dbraw/zinc/52/59/66/1127525966.db2.gz UXRKGKURKZZTRN-MRXNPFEDSA-N 1 1 292.382 3.824 20 30 CHEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597152185 1127530627 /nfs/dbraw/zinc/53/06/27/1127530627.db2.gz XGRFLUIPJWUJHY-CQSZACIVSA-N 1 1 268.404 3.862 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000597093165 1127527959 /nfs/dbraw/zinc/52/79/59/1127527959.db2.gz YGQJRAXRVWLGQJ-RDJZCZTQSA-N 1 1 266.388 3.616 20 30 CHEDMO 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30 CHEDMO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586873 1127626638 /nfs/dbraw/zinc/62/66/38/1127626638.db2.gz JOEQRELWGGNYCK-WBVHZDCISA-N 1 1 288.435 3.588 20 30 CHEDMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586872 1127626776 /nfs/dbraw/zinc/62/67/76/1127626776.db2.gz JOEQRELWGGNYCK-RDJZCZTQSA-N 1 1 288.435 3.588 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCCCc1cccc(Cl)c1 ZINC000598592599 1127627376 /nfs/dbraw/zinc/62/73/76/1127627376.db2.gz JWMDDTDBOQGMMC-ZDUSSCGKSA-N 1 1 264.800 3.897 20 30 CHEDMO N#CC1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 ZINC000598643341 1127629891 /nfs/dbraw/zinc/62/98/91/1127629891.db2.gz NLXMKDSQYPDSRH-UHFFFAOYSA-N 1 1 294.320 3.978 20 30 CHEDMO N#Cc1ccc(C[NH+]2CC(CC3CC3)C2)c(C(F)(F)F)c1 ZINC000598678776 1127631099 /nfs/dbraw/zinc/63/10/99/1127631099.db2.gz TZSOVHWLYJROFQ-UHFFFAOYSA-N 1 1 294.320 3.809 20 30 CHEDMO CCCc1ccc(C[N@H+](CC)C[C@H](C)C#N)s1 ZINC000598678258 1127631115 /nfs/dbraw/zinc/63/11/15/1127631115.db2.gz DPAIZHHFGJUJMF-GFCCVEGCSA-N 1 1 250.411 3.682 20 30 CHEDMO CCCc1ccc(C[N@@H+](CC)C[C@H](C)C#N)s1 ZINC000598678258 1127631116 /nfs/dbraw/zinc/63/11/16/1127631116.db2.gz DPAIZHHFGJUJMF-GFCCVEGCSA-N 1 1 250.411 3.682 20 30 CHEDMO CCOc1cncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000598676116 1127632530 /nfs/dbraw/zinc/63/25/30/1127632530.db2.gz NGNMVCRSRXDRMV-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO CC[N@@H+](CC1CC(F)(F)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000295493175 1127644810 /nfs/dbraw/zinc/64/48/10/1127644810.db2.gz KAWVFQWMBJJALP-LBPRGKRZSA-N 1 1 278.346 3.986 20 30 CHEDMO CC(C)(C)c1cc[nH+]c(N2Cc3cccc(C#N)c3C2)c1 ZINC000603405335 1127647900 /nfs/dbraw/zinc/64/79/00/1127647900.db2.gz RWDYCRXWUHLMEQ-UHFFFAOYSA-N 1 1 277.371 3.771 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000599059176 1127653730 /nfs/dbraw/zinc/65/37/30/1127653730.db2.gz OLNVCGWXNSTAJH-YUELXQCFSA-N 1 1 290.357 3.836 20 30 CHEDMO N#Cc1cccc2c1C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000593698830 1127661452 /nfs/dbraw/zinc/66/14/52/1127661452.db2.gz WNVSYUFNDIAWMM-ZWKOTPCHSA-N 1 1 274.367 3.678 20 30 CHEDMO N#Cc1cccc2c1C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000593698830 1127661455 /nfs/dbraw/zinc/66/14/55/1127661455.db2.gz WNVSYUFNDIAWMM-ZWKOTPCHSA-N 1 1 274.367 3.678 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1C#N ZINC000599344625 1127668376 /nfs/dbraw/zinc/66/83/76/1127668376.db2.gz GRBUMXAARPVWMM-FUHWJXTLSA-N 1 1 298.430 3.505 20 30 CHEDMO Cc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1C#N ZINC000599359188 1127669734 /nfs/dbraw/zinc/66/97/34/1127669734.db2.gz LAQDERVOTCUNHF-ZDUSSCGKSA-N 1 1 285.416 3.559 20 30 CHEDMO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1C#N ZINC000599392034 1127670724 /nfs/dbraw/zinc/67/07/24/1127670724.db2.gz PEUUAYFADQMTTI-FZMZJTMJSA-N 1 1 282.309 3.639 20 30 CHEDMO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1C#N ZINC000599476865 1127673994 /nfs/dbraw/zinc/67/39/94/1127673994.db2.gz ODJDSUXEAMSOKO-SFHVURJKSA-N 1 1 291.398 3.845 20 30 CHEDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1C#N ZINC000599476865 1127673998 /nfs/dbraw/zinc/67/39/98/1127673998.db2.gz ODJDSUXEAMSOKO-SFHVURJKSA-N 1 1 291.398 3.845 20 30 CHEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC000599433790 1127672458 /nfs/dbraw/zinc/67/24/58/1127672458.db2.gz ZSLYTTBALZSUQF-KRWDZBQOSA-N 1 1 291.398 3.560 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000603846869 1127675936 /nfs/dbraw/zinc/67/59/36/1127675936.db2.gz FPDNGWGJTWDOCG-ATZDWAIDSA-N 1 1 298.430 3.838 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000603846872 1127676207 /nfs/dbraw/zinc/67/62/07/1127676207.db2.gz FPDNGWGJTWDOCG-MNEFBYGVSA-N 1 1 298.430 3.838 20 30 CHEDMO C[C@H]1C[NH+](Cc2ccc(C#N)cc2Cl)C[C@H](C)C1(F)F ZINC000599514836 1127677058 /nfs/dbraw/zinc/67/70/58/1127677058.db2.gz LGAXSAIDAHGUDK-QWRGUYRKSA-N 1 1 298.764 3.935 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000599526782 1127678031 /nfs/dbraw/zinc/67/80/31/1127678031.db2.gz RZYBGYHFEOQHFB-OAHLLOKOSA-N 1 1 268.404 3.886 20 30 CHEDMO CCc1ccc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000599668093 1127685557 /nfs/dbraw/zinc/68/55/57/1127685557.db2.gz CBGNVMDQKUDOQY-QGZVFWFLSA-N 1 1 295.430 3.872 20 30 CHEDMO Cc1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675368 1127686398 /nfs/dbraw/zinc/68/63/98/1127686398.db2.gz JLFKEAJRKBBYTC-UHFFFAOYSA-N 1 1 276.383 3.619 20 30 CHEDMO COc1ccc([C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)cc1F ZINC000599681191 1127687900 /nfs/dbraw/zinc/68/79/00/1127687900.db2.gz WSTRLDIHAWLTSU-CQSZACIVSA-N 1 1 290.382 3.563 20 30 CHEDMO COCC[C@H]1CCCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000364144225 1127691417 /nfs/dbraw/zinc/69/14/17/1127691417.db2.gz ZKJFXNXAXHJQQD-DOTOQJQBSA-N 1 1 286.419 3.758 20 30 CHEDMO COCC[C@H]1CCCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000364144229 1127691797 /nfs/dbraw/zinc/69/17/97/1127691797.db2.gz ZKJFXNXAXHJQQD-NVXWUHKLSA-N 1 1 286.419 3.758 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000605740682 1127746959 /nfs/dbraw/zinc/74/69/59/1127746959.db2.gz LRLTXXNJGHTMRA-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(OC)c1 ZINC000062364448 1127748667 /nfs/dbraw/zinc/74/86/67/1127748667.db2.gz ANLYASPEGSKYNV-UHFFFAOYSA-N 1 1 281.399 3.926 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368488001 1127758621 /nfs/dbraw/zinc/75/86/21/1127758621.db2.gz XMSWMGSLZDMHJQ-YJBOKZPZSA-N 1 1 291.398 3.579 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000010089700 1127760934 /nfs/dbraw/zinc/76/09/34/1127760934.db2.gz XBFFSUBDPHCDFD-SFHVURJKSA-N 1 1 262.356 3.895 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432531 1127761464 /nfs/dbraw/zinc/76/14/64/1127761464.db2.gz IRUVHSDYZOUMRX-KRWDZBQOSA-N 1 1 287.382 3.547 20 30 CHEDMO Cc1cccc(C)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028662 1127771922 /nfs/dbraw/zinc/77/19/22/1127771922.db2.gz SKHNABXZKQFKJB-UHFFFAOYSA-N 1 1 262.356 3.691 20 30 CHEDMO Cc1cccc(C)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028662 1127771926 /nfs/dbraw/zinc/77/19/26/1127771926.db2.gz SKHNABXZKQFKJB-UHFFFAOYSA-N 1 1 262.356 3.691 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000606934573 1127780451 /nfs/dbraw/zinc/78/04/51/1127780451.db2.gz VNWIAIIZPMWVIU-OAHLLOKOSA-N 1 1 275.392 3.505 20 30 CHEDMO CC[N@@H+](CCc1cccs1)CC1CCC(C#N)CC1 ZINC000929411276 1127800668 /nfs/dbraw/zinc/80/06/68/1127800668.db2.gz QODXQRDFKKASMO-UHFFFAOYSA-N 1 1 276.449 3.942 20 30 CHEDMO C=CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000607359698 1127801162 /nfs/dbraw/zinc/80/11/62/1127801162.db2.gz GSNGRCIWKQTDPE-UHFFFAOYSA-N 1 1 280.209 3.599 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000173553449 1127838789 /nfs/dbraw/zinc/83/87/89/1127838789.db2.gz FEHFOVYNFHQMEY-KRWDZBQOSA-N 1 1 292.398 3.511 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000173553449 1127838793 /nfs/dbraw/zinc/83/87/93/1127838793.db2.gz FEHFOVYNFHQMEY-KRWDZBQOSA-N 1 1 292.398 3.511 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411138952 1127842411 /nfs/dbraw/zinc/84/24/11/1127842411.db2.gz XCOAEGDAAYLMFT-ZWKOTPCHSA-N 1 1 280.346 3.685 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411138951 1127843055 /nfs/dbraw/zinc/84/30/55/1127843055.db2.gz XCOAEGDAAYLMFT-ROUUACIJSA-N 1 1 280.346 3.685 20 30 CHEDMO N#CC1(CC[N@@H+]2CCO[C@H](c3ccccc3)C2)CCCCC1 ZINC000411167583 1127844849 /nfs/dbraw/zinc/84/48/49/1127844849.db2.gz MGGTWMNREWOPTL-SFHVURJKSA-N 1 1 298.430 3.924 20 30 CHEDMO N#CC1(CC[N@H+]2CCO[C@H](c3ccccc3)C2)CCCCC1 ZINC000411167583 1127844853 /nfs/dbraw/zinc/84/48/53/1127844853.db2.gz MGGTWMNREWOPTL-SFHVURJKSA-N 1 1 298.430 3.924 20 30 CHEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nc(CC)no1 ZINC000411252248 1127850591 /nfs/dbraw/zinc/85/05/91/1127850591.db2.gz AXIXSCBWMURFCY-ZDUSSCGKSA-N 1 1 277.412 3.761 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nc(CC)no1 ZINC000411252248 1127850595 /nfs/dbraw/zinc/85/05/95/1127850595.db2.gz AXIXSCBWMURFCY-ZDUSSCGKSA-N 1 1 277.412 3.761 20 30 CHEDMO CC(C)(C)C[N@@H+](CCCO)CCC1(C#N)CCCCC1 ZINC000411254535 1127850648 /nfs/dbraw/zinc/85/06/48/1127850648.db2.gz NSIZRNSJLUQJGV-UHFFFAOYSA-N 1 1 280.456 3.581 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ccc(C#N)cc1 ZINC000411487472 1127861912 /nfs/dbraw/zinc/86/19/12/1127861912.db2.gz MTQAGTYFUXWZBE-OAHLLOKOSA-N 1 1 280.371 3.943 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1F ZINC000063755668 1127865554 /nfs/dbraw/zinc/86/55/54/1127865554.db2.gz JAEILDQEKZDXCU-UHFFFAOYSA-N 1 1 288.391 3.823 20 30 CHEDMO C=C(C)C[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374050859 1127871430 /nfs/dbraw/zinc/87/14/30/1127871430.db2.gz OWOBKRHOXJJGMR-INIZCTEOSA-N 1 1 287.794 3.727 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374050859 1127871434 /nfs/dbraw/zinc/87/14/34/1127871434.db2.gz OWOBKRHOXJJGMR-INIZCTEOSA-N 1 1 287.794 3.727 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000411753089 1127873256 /nfs/dbraw/zinc/87/32/56/1127873256.db2.gz FEVKJAGKBOEBNK-JSGCOSHPSA-N 1 1 262.784 3.822 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000442672916 1127906890 /nfs/dbraw/zinc/90/68/90/1127906890.db2.gz JUQLFCDOAUEYAP-DNVCBOLYSA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000442674658 1127907043 /nfs/dbraw/zinc/90/70/43/1127907043.db2.gz WVJLCAKBFLDOFM-ZDUSSCGKSA-N 1 1 291.354 3.892 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000442674658 1127907045 /nfs/dbraw/zinc/90/70/45/1127907045.db2.gz WVJLCAKBFLDOFM-ZDUSSCGKSA-N 1 1 291.354 3.892 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(C#N)cs2)o1 ZINC000539458541 1127924131 /nfs/dbraw/zinc/92/41/31/1127924131.db2.gz KMCQYRQWIGGOIC-IINYFYTJSA-N 1 1 272.373 3.626 20 30 CHEDMO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000539451291 1127923248 /nfs/dbraw/zinc/92/32/48/1127923248.db2.gz LCMPSEXLYOTWPP-WBVHZDCISA-N 1 1 268.404 3.806 20 30 CHEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(C)(C)C#N)[C@@H]2C ZINC000543846278 1127949189 /nfs/dbraw/zinc/94/91/89/1127949189.db2.gz ADGKKOFJMMXBQD-UONOGXRCSA-N 1 1 286.419 3.943 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000539910981 1127953930 /nfs/dbraw/zinc/95/39/30/1127953930.db2.gz KUJCRWXVIADTCV-AWEZNQCLSA-N 1 1 259.393 3.872 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC(C)(C)C1 ZINC000544117330 1127959543 /nfs/dbraw/zinc/95/95/43/1127959543.db2.gz QKNZJOQOALGJGV-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CCC[N@H+](C)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000467379166 1127966839 /nfs/dbraw/zinc/96/68/39/1127966839.db2.gz WBGFWAFYESEMLH-ZDUSSCGKSA-N 1 1 265.372 3.521 20 30 CHEDMO C=CCC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000467286754 1127963107 /nfs/dbraw/zinc/96/31/07/1127963107.db2.gz ZKWZZENGHPBUBS-UHFFFAOYSA-N 1 1 288.416 3.827 20 30 CHEDMO C=C(CC)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000540194526 1127968980 /nfs/dbraw/zinc/96/89/80/1127968980.db2.gz PTKZWGYXIAMFNL-KRWDZBQOSA-N 1 1 289.419 3.642 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cn(C(C)C)nc1C ZINC000467438693 1127969196 /nfs/dbraw/zinc/96/91/96/1127969196.db2.gz PMAUCQOBWYFEAC-UHFFFAOYSA-N 1 1 263.429 3.951 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256827093 1127979278 /nfs/dbraw/zinc/97/92/78/1127979278.db2.gz XBSCFJYKVAYMFH-SJORKVTESA-N 1 1 259.393 3.805 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000544784561 1127983836 /nfs/dbraw/zinc/98/38/36/1127983836.db2.gz CSKOFNMVAYNVLL-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929632472 1127994273 /nfs/dbraw/zinc/99/42/73/1127994273.db2.gz XKEJTXULYIYORS-SFHVURJKSA-N 1 1 279.387 3.782 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000213404281 1127999036 /nfs/dbraw/zinc/99/90/36/1127999036.db2.gz OOSFBHBQXXQGKL-HNNXBMFYSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468271239 1128000658 /nfs/dbraw/zinc/00/06/58/1128000658.db2.gz VIPBYLHADDPNSX-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468271239 1128000663 /nfs/dbraw/zinc/00/06/63/1128000663.db2.gz VIPBYLHADDPNSX-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545271818 1128009553 /nfs/dbraw/zinc/00/95/53/1128009553.db2.gz KMYRWSRXGSQKEC-UHOSZYNNSA-N 1 1 286.463 3.841 20 30 CHEDMO N#Cc1cncc(C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000929675360 1128015525 /nfs/dbraw/zinc/01/55/25/1128015525.db2.gz DZXMSIZHUCSIHK-INIZCTEOSA-N 1 1 281.359 3.664 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000929675360 1128015528 /nfs/dbraw/zinc/01/55/28/1128015528.db2.gz DZXMSIZHUCSIHK-INIZCTEOSA-N 1 1 281.359 3.664 20 30 CHEDMO N#CC1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001256970316 1128027153 /nfs/dbraw/zinc/02/71/53/1128027153.db2.gz XZQMIIJLILEEEZ-ARWYELJZSA-N 1 1 260.425 3.971 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541703695 1128034345 /nfs/dbraw/zinc/03/43/45/1128034345.db2.gz NKSSZHDLRWBUJB-IAGOWNOFSA-N 1 1 277.383 3.944 20 30 CHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000469098251 1128035151 /nfs/dbraw/zinc/03/51/51/1128035151.db2.gz XAAZAOVIUCMFDV-QWHCGFSZSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000469087138 1128035264 /nfs/dbraw/zinc/03/52/64/1128035264.db2.gz SGVLKGNDEPSJBB-IBGZPJMESA-N 1 1 294.373 3.861 20 30 CHEDMO C=CC[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC1 ZINC001168438966 1128036409 /nfs/dbraw/zinc/03/64/09/1128036409.db2.gz QLEXEQHPHOFEFX-SJORKVTESA-N 1 1 257.377 3.557 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000469213569 1128037898 /nfs/dbraw/zinc/03/78/98/1128037898.db2.gz LMBRQJYLRSNFIE-OAHLLOKOSA-N 1 1 260.356 3.708 20 30 CHEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1C#N ZINC000542052468 1128049757 /nfs/dbraw/zinc/04/97/57/1128049757.db2.gz 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284.403 3.579 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000343579007 1119460153 /nfs/dbraw/zinc/46/01/53/1119460153.db2.gz GCZDTAPFOSVGCX-GFCCVEGCSA-N 1 1 288.366 3.569 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000343653085 1119479977 /nfs/dbraw/zinc/47/99/77/1119479977.db2.gz DQVBWAUIVZJCNN-QAPCUYQASA-N 1 1 293.414 3.665 20 30 CHEDMO CC[N@@H+](Cc1cccc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343677445 1119485152 /nfs/dbraw/zinc/48/51/52/1119485152.db2.gz BAUQIPGPJVSBEA-HNNXBMFYSA-N 1 1 279.387 3.845 20 30 CHEDMO CC[C@@H](C)[N@@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000159228204 1119486795 /nfs/dbraw/zinc/48/67/95/1119486795.db2.gz DQXFMAMSTNSWAO-CQSZACIVSA-N 1 1 296.455 3.759 20 30 CHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC000343731040 1119497162 /nfs/dbraw/zinc/49/71/62/1119497162.db2.gz YRTDQWGWTHVWNG-WBMJQRKESA-N 1 1 260.356 3.708 20 30 CHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ccccc3c2)no1 ZINC001212325641 1128851543 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CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180248321 1119962708 /nfs/dbraw/zinc/96/27/08/1119962708.db2.gz RCIKBAIDDLRFBK-LLVKDONJSA-N 1 1 268.451 3.583 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000472576741 1119967614 /nfs/dbraw/zinc/96/76/14/1119967614.db2.gz HWIKVSKODYFKHZ-CVEARBPZSA-N 1 1 261.409 3.623 20 30 CHEDMO CCC[N@H+](Cc1ncc(C)s1)Cc1ccc(C#N)cc1 ZINC000180432960 1119991786 /nfs/dbraw/zinc/99/17/86/1119991786.db2.gz RSVYNPMRQCISJY-UHFFFAOYSA-N 1 1 285.416 3.735 20 30 CHEDMO CCC[N@@H+](Cc1ncc(C)s1)Cc1ccc(C#N)cc1 ZINC000180432960 1119991789 /nfs/dbraw/zinc/99/17/89/1119991789.db2.gz RSVYNPMRQCISJY-UHFFFAOYSA-N 1 1 285.416 3.735 20 30 CHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356322127 1120002376 /nfs/dbraw/zinc/00/23/76/1120002376.db2.gz QWTRSPJRUNYVSA-CJNGLKHVSA-N 1 1 297.427 3.988 20 30 CHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356322127 1120002380 /nfs/dbraw/zinc/00/23/80/1120002380.db2.gz QWTRSPJRUNYVSA-CJNGLKHVSA-N 1 1 297.427 3.988 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000186314264 1120024202 /nfs/dbraw/zinc/02/42/02/1120024202.db2.gz NTQZJPAFYPAUAA-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1sccc1Cl ZINC000903102021 1120069515 /nfs/dbraw/zinc/06/95/15/1120069515.db2.gz PNYUKRBGWQLCML-SNVBAGLBSA-N 1 1 256.802 3.992 20 30 CHEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN([C@@H](C)c1cccc(C#N)c1)C2 ZINC000189911852 1120081538 /nfs/dbraw/zinc/08/15/38/1120081538.db2.gz YJEIEAIWGKMALW-ZYSHUDEJSA-N 1 1 297.446 3.566 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000122269132 1120107507 /nfs/dbraw/zinc/10/75/07/1120107507.db2.gz JXDCMTOELSWTAC-GFCCVEGCSA-N 1 1 264.369 3.502 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(Br)c1)C1CC1 ZINC000542692119 1120119699 /nfs/dbraw/zinc/11/96/99/1120119699.db2.gz YYUKZIMBWKLCJS-UHFFFAOYSA-N 1 1 296.208 3.608 20 30 CHEDMO C[C@H]1CCC[N@@H+](CCCCNc2cccc(F)c2C#N)C1 ZINC000301108379 1120130264 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C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000472775171 1120171962 /nfs/dbraw/zinc/17/19/62/1120171962.db2.gz UHNXIQDCNCXYFB-QGZVFWFLSA-N 1 1 261.409 3.569 20 30 CHEDMO Cc1oc2ccccc2c1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000926873245 1120172915 /nfs/dbraw/zinc/17/29/15/1120172915.db2.gz DMLOWLXMXWWQFM-NSHDSACASA-N 1 1 254.333 3.696 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2/C=C/c2cccs2)o1 ZINC000359864445 1120173726 /nfs/dbraw/zinc/17/37/26/1120173726.db2.gz BHRNHAVDBYQNTB-OQHXTRMZSA-N 1 1 284.384 3.891 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2cccs2)o1 ZINC000359864445 1120173729 /nfs/dbraw/zinc/17/37/29/1120173729.db2.gz BHRNHAVDBYQNTB-OQHXTRMZSA-N 1 1 284.384 3.891 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)c(Cl)c1 ZINC000303573249 1120177732 /nfs/dbraw/zinc/17/77/32/1120177732.db2.gz JGPVPPWDYKYOQG-OAHLLOKOSA-N 1 1 291.826 3.888 20 30 CHEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC001116650574 1120187723 /nfs/dbraw/zinc/18/77/23/1120187723.db2.gz BDCPCNDFYSMUOH-GJZGRUSLSA-N 1 1 294.851 3.928 20 30 CHEDMO C=CCCC[C@H](C)OC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803855201 1120203490 /nfs/dbraw/zinc/20/34/90/1120203490.db2.gz FDPIIXMZODLTKM-LSDHHAIUSA-N 1 1 267.413 3.539 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C1CC1 ZINC000930458392 1120221664 /nfs/dbraw/zinc/22/16/64/1120221664.db2.gz AAIZSTQRRJUCPY-AWEZNQCLSA-N 1 1 261.413 3.641 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)s1 ZINC000450825305 1120251342 /nfs/dbraw/zinc/25/13/42/1120251342.db2.gz FCXCWOIRRWOASK-SECBINFHSA-N 1 1 299.237 3.855 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCc3ccccc3C2)c1 ZINC000062944639 1120257015 /nfs/dbraw/zinc/25/70/15/1120257015.db2.gz HCINSVGVSVQUNQ-UHFFFAOYSA-N 1 1 262.356 3.507 20 30 CHEDMO N#CCC[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1 ZINC000921925485 1120285398 /nfs/dbraw/zinc/28/53/98/1120285398.db2.gz PZNBREWHEGSBPF-GOSISDBHSA-N 1 1 294.402 3.743 20 30 CHEDMO CC[N@@H+](Cc1c(C)noc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741644 1120298999 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C#CCOc1cccc(Cl)c1C[N@H+](CC(C)C)C1CC1 ZINC001179984099 1121932762 /nfs/dbraw/zinc/93/27/62/1121932762.db2.gz LFRUTWZGDSXECZ-UHFFFAOYSA-N 1 1 291.822 3.972 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1 ZINC001180166491 1121959826 /nfs/dbraw/zinc/95/98/26/1121959826.db2.gz QQUCAFGZGUTJNB-HNNXBMFYSA-N 1 1 277.367 3.624 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000501188138 1121962699 /nfs/dbraw/zinc/96/26/99/1121962699.db2.gz RUPHARNXMKMXBZ-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO C=CCO[C@H]1CC[N@H+](C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001180317961 1121973142 /nfs/dbraw/zinc/97/31/42/1121973142.db2.gz SSBBBPHRSPFQJJ-RURPWVQCSA-N 1 1 285.431 3.902 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+](C/C=C/c2cc(C)c(C)cc2C)C1 ZINC001180317960 1121973544 /nfs/dbraw/zinc/97/35/44/1121973544.db2.gz SSBBBPHRSPFQJJ-OVKVCFKUSA-N 1 1 285.431 3.902 20 30 CHEDMO Cc1nc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)s1 ZINC000618801468 1121991265 /nfs/dbraw/zinc/99/12/65/1121991265.db2.gz BAYVXSPVMMPSQJ-QLJPJBMISA-N 1 1 297.427 3.970 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001180505235 1121996614 /nfs/dbraw/zinc/99/66/14/1121996614.db2.gz LIPPXACQLQZEIA-UHFFFAOYSA-N 1 1 299.399 3.518 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001180961680 1122025146 /nfs/dbraw/zinc/02/51/46/1122025146.db2.gz FZRXQHDGCMONNF-OAHLLOKOSA-N 1 1 268.404 3.864 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001181316219 1122049718 /nfs/dbraw/zinc/04/97/18/1122049718.db2.gz WYLBXJJQFZNYGJ-QWPQOLDESA-N 1 1 270.420 3.806 20 30 CHEDMO Cn1cc(C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)cc1C#N ZINC000421399677 1122112200 /nfs/dbraw/zinc/11/22/00/1122112200.db2.gz QPFOPUDISZRQSU-GOSISDBHSA-N 1 1 293.414 3.665 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc1 ZINC000779603794 1129032485 /nfs/dbraw/zinc/03/24/85/1129032485.db2.gz BQHXLFSAAUGQBP-HZPDHXFCSA-N 1 1 298.430 3.990 20 30 CHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000502894988 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Cc1cc(C)c(CSCC2(C#N)CCC2)c(C)[nH+]1 ZINC000601055986 1122417831 /nfs/dbraw/zinc/41/78/31/1122417831.db2.gz GKEAMNOWMUFWBZ-UHFFFAOYSA-N 1 1 260.406 3.934 20 30 CHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)C1(CC)CC ZINC000434976528 1122425455 /nfs/dbraw/zinc/42/54/55/1122425455.db2.gz CLRXVWYHGNCSHJ-GJZGRUSLSA-N 1 1 298.496 3.549 20 30 CHEDMO C=CCc1cc(C[N@@H+](CCC)CC2CC2)cc(OC)c1O ZINC000435237296 1122446470 /nfs/dbraw/zinc/44/64/70/1122446470.db2.gz MSNLVCIRLQSETA-UHFFFAOYSA-N 1 1 289.419 3.751 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(F)nc2)CCCC1(C)C ZINC000775180560 1122469597 /nfs/dbraw/zinc/46/95/97/1122469597.db2.gz ZZJCPDLOLYYEAA-AWEZNQCLSA-N 1 1 262.372 3.787 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000775184900 1122471237 /nfs/dbraw/zinc/47/12/37/1122471237.db2.gz YDKZINDZYQMSER-LBPRGKRZSA-N 1 1 257.308 3.539 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000775185205 1122472491 /nfs/dbraw/zinc/47/24/91/1122472491.db2.gz ZAOLRDUTKGCIDZ-LBPRGKRZSA-N 1 1 289.325 3.895 20 30 CHEDMO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC2CC2)CC1 ZINC000515613447 1122516336 /nfs/dbraw/zinc/51/63/36/1122516336.db2.gz DMUGUKLDYYTUHH-HXUWFJFHSA-N 1 1 298.474 3.638 20 30 CHEDMO COc1ccc(CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425535616 1122545863 /nfs/dbraw/zinc/54/58/63/1122545863.db2.gz NQFYTKBVGMPQCP-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1c(C)nn(CC(C)C)c1OCC ZINC000505842832 1122559705 /nfs/dbraw/zinc/55/97/05/1122559705.db2.gz QXDRRUZDHZQFKB-UHFFFAOYSA-N 1 1 293.455 3.644 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(C)nn(CC(C)C)c1OCC ZINC000505842832 1122559708 /nfs/dbraw/zinc/55/97/08/1122559708.db2.gz QXDRRUZDHZQFKB-UHFFFAOYSA-N 1 1 293.455 3.644 20 30 CHEDMO CCCCC[N@@H+](CCCOC)Cc1cc(F)ccc1C#N ZINC000505851038 1122565503 /nfs/dbraw/zinc/56/55/03/1122565503.db2.gz KIVRTYWHHZXJMJ-UHFFFAOYSA-N 1 1 292.398 3.726 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1Br ZINC000664572372 1122565831 /nfs/dbraw/zinc/56/58/31/1122565831.db2.gz SRONLBZJMWMPEE-PHIMTYICSA-N 1 1 279.181 3.532 20 30 CHEDMO C=C(Cl)C[N@H+](CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001191099119 1122571486 /nfs/dbraw/zinc/57/14/86/1122571486.db2.gz IUJQKJVPPLCZIG-CHWSQXEVSA-N 1 1 259.821 3.655 20 30 CHEDMO CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC001191157266 1122578622 /nfs/dbraw/zinc/57/86/22/1122578622.db2.gz VGGUEGWEHSUFJX-OKZBNKHCSA-N 1 1 298.430 3.573 20 30 CHEDMO CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC001191157266 1122578625 /nfs/dbraw/zinc/57/86/25/1122578625.db2.gz VGGUEGWEHSUFJX-OKZBNKHCSA-N 1 1 298.430 3.573 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]1 ZINC001191401361 1122594846 /nfs/dbraw/zinc/59/48/46/1122594846.db2.gz XWUBVVMESCFAGA-UHFFFAOYSA-N 1 1 289.382 3.714 20 30 CHEDMO C=C(CC)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001191359819 1122596650 /nfs/dbraw/zinc/59/66/50/1122596650.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 1 1 298.474 3.941 20 30 CHEDMO C=C(CC)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001191359819 1122596653 /nfs/dbraw/zinc/59/66/53/1122596653.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 1 1 298.474 3.941 20 30 CHEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000516514028 1122606602 /nfs/dbraw/zinc/60/66/02/1122606602.db2.gz CNCQOAOQZMXFNK-STQMWFEESA-N 1 1 260.381 3.798 20 30 CHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000516514026 1122606762 /nfs/dbraw/zinc/60/67/62/1122606762.db2.gz CNCQOAOQZMXFNK-OLZOCXBDSA-N 1 1 260.381 3.798 20 30 CHEDMO Cc1cnccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000516537822 1122610376 /nfs/dbraw/zinc/61/03/76/1122610376.db2.gz UXKFEVAKZYSHLN-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1cnccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000516537822 1122610379 /nfs/dbraw/zinc/61/03/79/1122610379.db2.gz UXKFEVAKZYSHLN-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC000437131615 1122615291 /nfs/dbraw/zinc/61/52/91/1122615291.db2.gz NDDQGLIFKLPQMP-UHFFFAOYSA-N 1 1 294.345 3.782 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000437573908 1122641559 /nfs/dbraw/zinc/64/15/59/1122641559.db2.gz COCVRWWLLJNAJX-KUHUBIRLSA-N 1 1 292.382 3.760 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000437573908 1122641562 /nfs/dbraw/zinc/64/15/62/1122641562.db2.gz COCVRWWLLJNAJX-KUHUBIRLSA-N 1 1 292.382 3.760 20 30 CHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000437579715 1122642077 /nfs/dbraw/zinc/64/20/77/1122642077.db2.gz OTWMXEFHQGFDIW-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO Cc1ccc(C)c(OCC[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000506135537 1122657818 /nfs/dbraw/zinc/65/78/18/1122657818.db2.gz MGNWUPVVSPYFOW-UHFFFAOYSA-N 1 1 294.398 3.686 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001193365239 1122686934 /nfs/dbraw/zinc/68/69/34/1122686934.db2.gz QPGFRBGXRPOSMX-DLBZAZTESA-N 1 1 271.404 3.640 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC001193712727 1122713432 /nfs/dbraw/zinc/71/34/32/1122713432.db2.gz BZQTYKLCEGVLPG-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001193873420 1122727991 /nfs/dbraw/zinc/72/79/91/1122727991.db2.gz ULCTYJGEUFCVIN-CVEARBPZSA-N 1 1 296.455 3.557 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)CCC(C)C ZINC001194051520 1122744263 /nfs/dbraw/zinc/74/42/63/1122744263.db2.gz FPXULTFZLGYXNK-SFHVURJKSA-N 1 1 275.436 3.862 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439328663 1122772309 /nfs/dbraw/zinc/77/23/09/1122772309.db2.gz MNBGOHALFXGSCU-JQHSSLGASA-N 1 1 273.420 3.582 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CC=CCC1 ZINC000439432863 1122778767 /nfs/dbraw/zinc/77/87/67/1122778767.db2.gz WSEIMYMADCTRHI-CYBMUJFWSA-N 1 1 274.795 4.000 20 30 CHEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439443256 1122780347 /nfs/dbraw/zinc/78/03/47/1122780347.db2.gz APSUESPZIVTARZ-KRWDZBQOSA-N 1 1 299.805 3.887 20 30 CHEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439443256 1122780351 /nfs/dbraw/zinc/78/03/51/1122780351.db2.gz APSUESPZIVTARZ-KRWDZBQOSA-N 1 1 299.805 3.887 20 30 CHEDMO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000439455392 1122780636 /nfs/dbraw/zinc/78/06/36/1122780636.db2.gz UIUQLHQKLVOWSF-OAHLLOKOSA-N 1 1 294.851 3.785 20 30 CHEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000439455392 1122780639 /nfs/dbraw/zinc/78/06/39/1122780639.db2.gz UIUQLHQKLVOWSF-OAHLLOKOSA-N 1 1 294.851 3.785 20 30 CHEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439455963 1122781480 /nfs/dbraw/zinc/78/14/80/1122781480.db2.gz XCYHEIWEPIHDBT-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426478282 1122802674 /nfs/dbraw/zinc/80/26/74/1122802674.db2.gz AMNPFTMKNKPSCC-ZBFHGGJFSA-N 1 1 259.780 3.566 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000426569696 1122823796 /nfs/dbraw/zinc/82/37/96/1122823796.db2.gz CUSWXRFVRFKRDB-SOIVGHGOSA-N 1 1 272.348 3.649 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000426572184 1122825196 /nfs/dbraw/zinc/82/51/96/1122825196.db2.gz ZLRJEPUKAHMYJU-TZMCWYRMSA-N 1 1 278.421 3.535 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000426572184 1122825202 /nfs/dbraw/zinc/82/52/02/1122825202.db2.gz ZLRJEPUKAHMYJU-TZMCWYRMSA-N 1 1 278.421 3.535 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000426577947 1122826032 /nfs/dbraw/zinc/82/60/32/1122826032.db2.gz FTTDKKQPQJYISP-INIZCTEOSA-N 1 1 267.376 3.617 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nn(CC)c2ccccc12 ZINC000426573087 1122826481 /nfs/dbraw/zinc/82/64/81/1122826481.db2.gz JMYZZZDJQKPDPQ-AWEZNQCLSA-N 1 1 269.392 3.597 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000426580448 1122826607 /nfs/dbraw/zinc/82/66/07/1122826607.db2.gz QYNNPDAMHNRXOE-MRXNPFEDSA-N 1 1 267.376 3.617 20 30 CHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775623364 1122827329 /nfs/dbraw/zinc/82/73/29/1122827329.db2.gz JBQSACFEALLAQZ-DLBZAZTESA-N 1 1 259.393 3.541 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000183678560 1129081044 /nfs/dbraw/zinc/08/10/44/1129081044.db2.gz FMZBMVLQVAQFDO-GJZGRUSLSA-N 1 1 295.386 3.565 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000229149311 1122867880 /nfs/dbraw/zinc/86/78/80/1122867880.db2.gz MOWCLGDILMXFTE-CXAGYDPISA-N 1 1 256.393 3.877 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC001195463076 1122870559 /nfs/dbraw/zinc/87/05/59/1122870559.db2.gz GGTCJFXNPARQON-INIZCTEOSA-N 1 1 271.404 3.709 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001196441740 1122920585 /nfs/dbraw/zinc/92/05/85/1122920585.db2.gz MGPRUEOXPDEMQZ-GFCCVEGCSA-N 1 1 265.784 3.747 20 30 CHEDMO CCCOc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC001196832028 1122934188 /nfs/dbraw/zinc/93/41/88/1122934188.db2.gz NGOUNIMSLNCLJK-RDJZCZTQSA-N 1 1 272.392 3.599 20 30 CHEDMO CCCOc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC001196832028 1122934192 /nfs/dbraw/zinc/93/41/92/1122934192.db2.gz NGOUNIMSLNCLJK-RDJZCZTQSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1cccc(F)c1C#N ZINC001205789162 1122938283 /nfs/dbraw/zinc/93/82/83/1122938283.db2.gz KTPBMEUEKDGWDG-NVXWUHKLSA-N 1 1 274.383 3.810 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000507213184 1122939237 /nfs/dbraw/zinc/93/92/37/1122939237.db2.gz PVPRVDGTYLRVSC-RTBURBONSA-N 1 1 276.383 3.794 20 30 CHEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000507251442 1122942501 /nfs/dbraw/zinc/94/25/01/1122942501.db2.gz HNLQBYXCFCIUCJ-HNNXBMFYSA-N 1 1 274.408 3.845 20 30 CHEDMO C=CCc1cc(C[N@H+](CCCC)C2CC2)cc(OC)c1O ZINC000507243069 1122942571 /nfs/dbraw/zinc/94/25/71/1122942571.db2.gz JUEDNNIUDHWQPJ-UHFFFAOYSA-N 1 1 289.419 3.894 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)o1 ZINC001197201405 1122947680 /nfs/dbraw/zinc/94/76/80/1122947680.db2.gz DBBUTUCSFKZGDE-CQSZACIVSA-N 1 1 258.365 3.553 20 30 CHEDMO C=CCCCCC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198686022 1123007127 /nfs/dbraw/zinc/00/71/27/1123007127.db2.gz PXDPKKAALNEHMC-JKSUJKDBSA-N 1 1 251.414 3.766 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842148639 1123008765 /nfs/dbraw/zinc/00/87/65/1123008765.db2.gz XBJZPODZCHGIAT-MOPGFXCFSA-N 1 1 294.398 3.675 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(SC(F)F)cc1 ZINC000776008880 1123036026 /nfs/dbraw/zinc/03/60/26/1123036026.db2.gz DAHUXMTZQOZGEG-SNVBAGLBSA-N 1 1 282.359 3.956 20 30 CHEDMO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000776010619 1123036189 /nfs/dbraw/zinc/03/61/89/1123036189.db2.gz SKCQYXOQNYGGSR-AWEZNQCLSA-N 1 1 264.319 3.555 20 30 CHEDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCC#N ZINC000441064767 1123054625 /nfs/dbraw/zinc/05/46/25/1123054625.db2.gz JGIPDDORMCRILI-UZLBHIALSA-N 1 1 290.410 3.979 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441371612 1123082218 /nfs/dbraw/zinc/08/22/18/1123082218.db2.gz MPNPFFCRIZLVQG-KRWDZBQOSA-N 1 1 258.409 3.856 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000049091338 1123096358 /nfs/dbraw/zinc/09/63/58/1123096358.db2.gz NOWIBTQPDVAVSI-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO C#CC[N@@H+](C[C@H]1CC=CCC1)[C@@H]1CCc2ccccc21 ZINC001201417911 1123097710 /nfs/dbraw/zinc/09/77/10/1123097710.db2.gz LNEBQAYWCITAQQ-QFBILLFUSA-N 1 1 265.400 3.965 20 30 CHEDMO C=CCCC(C)(C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000620859246 1129098755 /nfs/dbraw/zinc/09/87/55/1129098755.db2.gz ZBLZWTCKUNVPFA-OAHLLOKOSA-N 1 1 292.467 3.502 20 30 CHEDMO COc1ccc(C#N)cc1Nc1cccn2c(C)c(C)[nH+]c12 ZINC001201585548 1123128530 /nfs/dbraw/zinc/12/85/30/1123128530.db2.gz OILGHQVCOCFBQC-UHFFFAOYSA-N 1 1 292.342 3.575 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000269013957 1129100992 /nfs/dbraw/zinc/10/09/92/1129100992.db2.gz NXDTYFGWOXHNGG-OAHLLOKOSA-N 1 1 256.393 3.981 20 30 CHEDMO CC[N@@H+](CCCCCOc1ccccc1)C[C@H](C)C#N ZINC000189743526 1123143163 /nfs/dbraw/zinc/14/31/63/1123143163.db2.gz IBVQCEHWSSGBKW-MRXNPFEDSA-N 1 1 274.408 3.717 20 30 CHEDMO CCCCCCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001201761844 1123148411 /nfs/dbraw/zinc/14/84/11/1123148411.db2.gz SBQSGLCWFVQRIW-HUUCEWRRSA-N 1 1 251.414 3.790 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001201804482 1123149938 /nfs/dbraw/zinc/14/99/38/1123149938.db2.gz LFUFUHVMRISUJX-HNNXBMFYSA-N 1 1 279.428 3.918 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001201798021 1123149956 /nfs/dbraw/zinc/14/99/56/1123149956.db2.gz LMVLYPJGDOTBKS-UHFFFAOYSA-N 1 1 289.467 3.873 20 30 CHEDMO CCCCCCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC001201798621 1123150240 /nfs/dbraw/zinc/15/02/40/1123150240.db2.gz YDDVYRZDQRJRIV-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCC[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001201797936 1123150651 /nfs/dbraw/zinc/15/06/51/1123150651.db2.gz HXEAFSFIJPXIRR-UHFFFAOYSA-N 1 1 273.424 3.683 20 30 CHEDMO CCCCCCCN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001201787226 1123151404 /nfs/dbraw/zinc/15/14/04/1123151404.db2.gz ARYWNCXJRJCGCJ-UHFFFAOYSA-N 1 1 284.463 3.855 20 30 CHEDMO CCCCCCC[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001201787226 1123151405 /nfs/dbraw/zinc/15/14/05/1123151405.db2.gz ARYWNCXJRJCGCJ-UHFFFAOYSA-N 1 1 284.463 3.855 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001201853035 1123152333 /nfs/dbraw/zinc/15/23/33/1123152333.db2.gz YTRKJVHDCVNENW-FGTMMUONSA-N 1 1 297.483 3.599 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001201787773 1123152353 /nfs/dbraw/zinc/15/23/53/1123152353.db2.gz LSSVKBHTINTWHD-KRWDZBQOSA-N 1 1 294.483 3.681 20 30 CHEDMO CCCCCCCCCN1CC[NH+](CCCCOC)CC1 ZINC001201852877 1123152388 /nfs/dbraw/zinc/15/23/88/1123152388.db2.gz QBBDYJHIFOYRGW-UHFFFAOYSA-N 1 1 298.515 3.781 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001201787879 1123152531 /nfs/dbraw/zinc/15/25/31/1123152531.db2.gz OWMAHOLFVKPTIK-CQSZACIVSA-N 1 1 269.429 3.620 20 30 CHEDMO CCCCCCCC[NH+]1CC(N2CCCCC2)C1 ZINC001201840493 1123155134 /nfs/dbraw/zinc/15/51/34/1123155134.db2.gz YBZGKHDRMRADDD-UHFFFAOYSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCc2ncn(C)c2C1 ZINC001201875317 1123156653 /nfs/dbraw/zinc/15/66/53/1123156653.db2.gz VHVOTQIGSLNLQA-UHFFFAOYSA-N 1 1 277.456 3.919 20 30 CHEDMO Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000520553858 1123173398 /nfs/dbraw/zinc/17/33/98/1123173398.db2.gz QDVFYGRGVNJLGJ-UHFFFAOYSA-N 1 1 250.773 3.630 20 30 CHEDMO Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000520553858 1123173400 /nfs/dbraw/zinc/17/34/00/1123173400.db2.gz QDVFYGRGVNJLGJ-UHFFFAOYSA-N 1 1 250.773 3.630 20 30 CHEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000067445775 1123200000 /nfs/dbraw/zinc/20/00/00/1123200000.db2.gz HJIXZMKVRFZOHQ-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000067445775 1123200001 /nfs/dbraw/zinc/20/00/01/1123200001.db2.gz HJIXZMKVRFZOHQ-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCO[C@H](CC)C1 ZINC000507804425 1123212081 /nfs/dbraw/zinc/21/20/81/1123212081.db2.gz NDCITQMKTNLBSJ-HZPDHXFCSA-N 1 1 253.430 3.870 20 30 CHEDMO C[C@@H]1[N@@H+](CCC2(C#N)CCCCC2)CCC12CCOCC2 ZINC000335174063 1123316675 /nfs/dbraw/zinc/31/66/75/1123316675.db2.gz NWPBOJUHORVPFL-INIZCTEOSA-N 1 1 290.451 3.742 20 30 CHEDMO CC1(C)CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428254097 1123328337 /nfs/dbraw/zinc/32/83/37/1123328337.db2.gz GGGQPGGVJQKRIG-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000442904587 1123348947 /nfs/dbraw/zinc/34/89/47/1123348947.db2.gz REOGWGUDDZTMDT-GJZGRUSLSA-N 1 1 254.377 3.907 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@]1(C)CC1(Cl)Cl ZINC000852687080 1123413261 /nfs/dbraw/zinc/41/32/61/1123413261.db2.gz GDBSEUBCKBJIQF-GRYCIOLGSA-N 1 1 260.208 3.753 20 30 CHEDMO C=CCC[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168015548 1123379184 /nfs/dbraw/zinc/37/91/84/1123379184.db2.gz RKLVNJLFKVMDQD-HZPDHXFCSA-N 1 1 272.436 3.594 20 30 CHEDMO COc1cccc(SCC[N@H+](CCC#N)CC(C)C)c1 ZINC000851779720 1123381148 /nfs/dbraw/zinc/38/11/48/1123381148.db2.gz VGZACFQEOJQVFR-UHFFFAOYSA-N 1 1 292.448 3.659 20 30 CHEDMO COc1cccc(SCC[N@@H+](CCC#N)CC(C)C)c1 ZINC000851779720 1123381153 /nfs/dbraw/zinc/38/11/53/1123381153.db2.gz VGZACFQEOJQVFR-UHFFFAOYSA-N 1 1 292.448 3.659 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCC3CCC3)CCO2)c1 ZINC000851881899 1123385826 /nfs/dbraw/zinc/38/58/26/1123385826.db2.gz QTHMLRVFBMSWRA-GOSISDBHSA-N 1 1 284.403 3.512 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCC3CCC3)CCO2)c1 ZINC000851881899 1123385828 /nfs/dbraw/zinc/38/58/28/1123385828.db2.gz QTHMLRVFBMSWRA-GOSISDBHSA-N 1 1 284.403 3.512 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(C2CCCC2)n1 ZINC000852099039 1123396832 /nfs/dbraw/zinc/39/68/32/1123396832.db2.gz CDRVNCSBYCDVFX-OAHLLOKOSA-N 1 1 262.422 3.692 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000852101688 1123396883 /nfs/dbraw/zinc/39/68/83/1123396883.db2.gz GSZSSURZWINBJY-DYVFJYSZSA-N 1 1 268.360 3.794 20 30 CHEDMO CCC(C)(C)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328685 1123403549 /nfs/dbraw/zinc/40/35/49/1123403549.db2.gz KNFPZSRAWVQZKA-GOSISDBHSA-N 1 1 285.435 3.765 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](C2CC(OC(C)(C)C)C2)C1 ZINC000852408787 1123404170 /nfs/dbraw/zinc/40/41/70/1123404170.db2.gz ATWZJXFIIPZSIB-WLYUNCDWSA-N 1 1 251.414 3.621 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC001168019010 1123407641 /nfs/dbraw/zinc/40/76/41/1123407641.db2.gz WAFDUTIPZHAOBK-UHFFFAOYSA-N 1 1 256.393 3.981 20 30 CHEDMO N#CCOc1ccc(C[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC000852716118 1123413491 /nfs/dbraw/zinc/41/34/91/1123413491.db2.gz CHHIPPLNAQOMCE-UHFFFAOYSA-N 1 1 284.403 3.601 20 30 CHEDMO Cc1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1F ZINC000853438661 1123441179 /nfs/dbraw/zinc/44/11/79/1123441179.db2.gz JDUPJIIQJFGDOD-UHFFFAOYSA-N 1 1 298.365 3.575 20 30 CHEDMO CC[N@@H+](Cn1ccc(=S)c2ccccc21)[C@@H](C)C#N ZINC000853577006 1123444078 /nfs/dbraw/zinc/44/40/78/1123444078.db2.gz 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RETZQLSXPQYSFK-LJQANCHMSA-N 1 1 298.430 3.676 20 30 CHEDMO CC[C@@H]1CCC[C@@H](C=[NH+]n2c(SC)nnc2SC)C1 ZINC000872417514 1124714033 /nfs/dbraw/zinc/71/40/33/1124714033.db2.gz DCFFPMPLNXOFMP-GHMZBOCLSA-N 1 1 298.481 3.772 20 30 CHEDMO Cc1ccccc1CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000449381185 1124716992 /nfs/dbraw/zinc/71/69/92/1124716992.db2.gz QOPMYVVFZKAZKV-UHFFFAOYSA-N 1 1 264.372 3.541 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000449389833 1124719357 /nfs/dbraw/zinc/71/93/57/1124719357.db2.gz UHDJRXTWELHLFK-HBUWYVDXSA-N 1 1 280.371 3.918 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1nc(C#N)cs1 ZINC000449384309 1124719457 /nfs/dbraw/zinc/71/94/57/1124719457.db2.gz AVYCNSQXYBHUHE-IOASZLSFSA-N 1 1 297.427 3.781 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000124498791 1124765610 /nfs/dbraw/zinc/76/56/10/1124765610.db2.gz NMMPDUUYSPQWNU-UHFFFAOYSA-N 1 1 250.556 3.836 20 30 CHEDMO C=C(Br)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000125047664 1124842243 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1124969431 /nfs/dbraw/zinc/96/94/31/1124969431.db2.gz AWESPXYWOXQJTB-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876741820 1124975200 /nfs/dbraw/zinc/97/52/00/1124975200.db2.gz VYIHUCJDRVNYCG-AWEZNQCLSA-N 1 1 277.799 3.617 20 30 CHEDMO Cc1ccc([C@H]2CSCC[N@@H+]2CC2(C#N)CCC2)cc1 ZINC000450403015 1125014564 /nfs/dbraw/zinc/01/45/64/1125014564.db2.gz APRGFYNMTQVJPB-MRXNPFEDSA-N 1 1 286.444 3.779 20 30 CHEDMO Cc1ccc([C@H]2CSCC[N@H+]2CC2(C#N)CCC2)cc1 ZINC000450403015 1125014571 /nfs/dbraw/zinc/01/45/71/1125014571.db2.gz APRGFYNMTQVJPB-MRXNPFEDSA-N 1 1 286.444 3.779 20 30 CHEDMO N#CC1(C[N@H+]2CCCCC[C@H]2c2ccco2)CCC1 ZINC000450424760 1125015206 /nfs/dbraw/zinc/01/52/06/1125015206.db2.gz RIGRUBZCQBYAGW-AWEZNQCLSA-N 1 1 258.365 3.891 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000877399251 1125026229 /nfs/dbraw/zinc/02/62/29/1125026229.db2.gz LLGKRYJSLVFUMJ-CHWSQXEVSA-N 1 1 278.346 3.694 20 30 CHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000450438526 1125026425 /nfs/dbraw/zinc/02/64/25/1125026425.db2.gz KQCYFUMVYYIVHT-CZUORRHYSA-N 1 1 272.367 3.902 20 30 CHEDMO N#Cc1cnc(Cl)c(CNc2ccc(C3CCC3)c[nH+]2)c1 ZINC000877552795 1125045368 /nfs/dbraw/zinc/04/53/68/1125045368.db2.gz GVRZNAAEJOARBK-UHFFFAOYSA-N 1 1 298.777 3.881 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)ccc1C#N ZINC000877811850 1125082440 /nfs/dbraw/zinc/08/24/40/1125082440.db2.gz ABFYSMWQTDMPBU-AWEZNQCLSA-N 1 1 282.309 3.641 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(OC(F)F)c1 ZINC000450665741 1125082544 /nfs/dbraw/zinc/08/25/44/1125082544.db2.gz GRHBDMZLMRNGBD-LLVKDONJSA-N 1 1 280.318 3.632 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)ccc1C#N ZINC000877811851 1125083069 /nfs/dbraw/zinc/08/30/69/1125083069.db2.gz ABFYSMWQTDMPBU-CQSZACIVSA-N 1 1 282.309 3.641 20 30 CHEDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450698052 1125090679 /nfs/dbraw/zinc/09/06/79/1125090679.db2.gz IZXRFDMMIHIDBJ-WFASDCNBSA-N 1 1 292.810 3.699 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877953412 1125105544 /nfs/dbraw/zinc/10/55/44/1125105544.db2.gz MHSPPDAVVUUFLG-YJBOKZPZSA-N 1 1 286.419 3.547 20 30 CHEDMO C=CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000877957223 1125105825 /nfs/dbraw/zinc/10/58/25/1125105825.db2.gz GSLWCSWUITYQPF-NSHDSACASA-N 1 1 285.334 3.693 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCCC[C@H]1C)c1ccccc1 ZINC000878105735 1125120769 /nfs/dbraw/zinc/12/07/69/1125120769.db2.gz HXTJMBYVBVPMKS-APWZRJJASA-N 1 1 298.430 3.692 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000878209827 1125131490 /nfs/dbraw/zinc/13/14/90/1125131490.db2.gz KOXSIVCBSXNCCO-KBPBESRZSA-N 1 1 270.376 3.972 20 30 CHEDMO C[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CCO1 ZINC001168126988 1125133300 /nfs/dbraw/zinc/13/33/00/1125133300.db2.gz CTIDIERMCLKNOK-WBVHZDCISA-N 1 1 278.440 3.882 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CCCSC(C)(C)C)C1CC1 ZINC000878299092 1125139200 /nfs/dbraw/zinc/13/92/00/1125139200.db2.gz NEVJKTSEGHGBBY-LBPRGKRZSA-N 1 1 254.443 3.532 20 30 CHEDMO N#CCC1(C[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000878433441 1125153135 /nfs/dbraw/zinc/15/31/35/1125153135.db2.gz CVJGDELIPFLANA-INIZCTEOSA-N 1 1 254.377 3.907 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878729435 1125176649 /nfs/dbraw/zinc/17/66/49/1125176649.db2.gz ZXKACOUHESWDRB-RHSMWYFYSA-N 1 1 284.403 3.653 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000122271213 1125182731 /nfs/dbraw/zinc/18/27/31/1125182731.db2.gz VNUMJYBVOJCIQF-UHFFFAOYSA-N 1 1 284.403 3.811 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000530971297 1125189321 /nfs/dbraw/zinc/18/93/21/1125189321.db2.gz UZLUMNIBSDGTRE-ROUUACIJSA-N 1 1 268.404 3.948 20 30 CHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1cc(C(C)(C)C)on1 ZINC000879433594 1125213581 /nfs/dbraw/zinc/21/35/81/1125213581.db2.gz XXNKXKOUHOEYBA-UHFFFAOYSA-N 1 1 297.402 3.518 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(C(C)(C)C)on1 ZINC000879433594 1125213587 /nfs/dbraw/zinc/21/35/87/1125213587.db2.gz XXNKXKOUHOEYBA-UHFFFAOYSA-N 1 1 297.402 3.518 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000879749534 1125229758 /nfs/dbraw/zinc/22/97/58/1125229758.db2.gz KARQONYUZCOANZ-KRWDZBQOSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000879749534 1125229761 /nfs/dbraw/zinc/22/97/61/1125229761.db2.gz KARQONYUZCOANZ-KRWDZBQOSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)c1 ZINC000879752300 1125232044 /nfs/dbraw/zinc/23/20/44/1125232044.db2.gz OOLAIMYEVDTYJW-IBGZPJMESA-N 1 1 291.398 3.641 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003526 1125244064 /nfs/dbraw/zinc/24/40/64/1125244064.db2.gz IKLXUJOCJCJHFL-SMDDNHRTSA-N 1 1 282.309 3.894 20 30 CHEDMO C=CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244510 1125244612 /nfs/dbraw/zinc/24/46/12/1125244612.db2.gz XBCZYDXBETYOIB-OALUTQOASA-N 1 1 284.447 3.549 20 30 CHEDMO C=CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244510 1125244615 /nfs/dbraw/zinc/24/46/15/1125244615.db2.gz XBCZYDXBETYOIB-OALUTQOASA-N 1 1 284.447 3.549 20 30 CHEDMO CCCCC[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001168152651 1125275019 /nfs/dbraw/zinc/27/50/19/1125275019.db2.gz AXCKXUZOMURHDP-KRWDZBQOSA-N 1 1 286.419 3.982 20 30 CHEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000475725827 1125281077 /nfs/dbraw/zinc/28/10/77/1125281077.db2.gz FQNQPIXPJSQJDF-JHJVBQTASA-N 1 1 260.356 3.564 20 30 CHEDMO C=CCC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626135922 1125292565 /nfs/dbraw/zinc/29/25/65/1125292565.db2.gz LFVHQXVSKCUEQW-AWEZNQCLSA-N 1 1 253.336 3.761 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626135922 1125292569 /nfs/dbraw/zinc/29/25/69/1125292569.db2.gz LFVHQXVSKCUEQW-AWEZNQCLSA-N 1 1 253.336 3.761 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399134470 1125339060 /nfs/dbraw/zinc/33/90/60/1125339060.db2.gz PTOXRJIBWUQTOA-ZDUSSCGKSA-N 1 1 282.412 3.933 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000399224539 1125339114 /nfs/dbraw/zinc/33/91/14/1125339114.db2.gz MBHAYWMAHMEBOK-OAHLLOKOSA-N 1 1 264.372 3.946 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168178376 1125342049 /nfs/dbraw/zinc/34/20/49/1125342049.db2.gz CHHAWHWLSDPPMK-LBPRGKRZSA-N 1 1 250.773 3.507 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cccnc21 ZINC001137176785 1125342680 /nfs/dbraw/zinc/34/26/80/1125342680.db2.gz MTFVKMSPGBJGTC-FFGGFLGDSA-N 1 1 277.371 3.501 20 30 CHEDMO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000191224099 1125345555 /nfs/dbraw/zinc/34/55/55/1125345555.db2.gz ATINKMXPLWHKSM-UHFFFAOYSA-N 1 1 299.805 3.715 20 30 CHEDMO CC(C)CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000129826732 1125351783 /nfs/dbraw/zinc/35/17/83/1125351783.db2.gz UXNKHVUFQNMXTQ-OAHLLOKOSA-N 1 1 286.419 3.988 20 30 CHEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000191384712 1125359869 /nfs/dbraw/zinc/35/98/69/1125359869.db2.gz HAXPMRDLVBMTMO-QGZVFWFLSA-N 1 1 297.402 3.916 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@H]21 ZINC000404103193 1125361041 /nfs/dbraw/zinc/36/10/41/1125361041.db2.gz XFMQIVASQWCSPU-ZBFHGGJFSA-N 1 1 272.367 3.708 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000883212046 1125378357 /nfs/dbraw/zinc/37/83/57/1125378357.db2.gz ZWDHHASFEXIFME-MRXNPFEDSA-N 1 1 256.349 3.862 20 30 CHEDMO C=CCCC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000883223336 1125379990 /nfs/dbraw/zinc/37/99/90/1125379990.db2.gz MZANXVZCNKKGEX-IAGOWNOFSA-N 1 1 295.430 3.954 20 30 CHEDMO C=CCCC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000883223335 1125380096 /nfs/dbraw/zinc/38/00/96/1125380096.db2.gz MZANXVZCNKKGEX-DLBZAZTESA-N 1 1 295.430 3.954 20 30 CHEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000883227470 1125380944 /nfs/dbraw/zinc/38/09/44/1125380944.db2.gz RHJRKJMNINRNKJ-UMQXSMKFSA-N 1 1 298.474 3.779 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccncc1 ZINC000610927460 1125388006 /nfs/dbraw/zinc/38/80/06/1125388006.db2.gz FMHIMJHDNBZDSB-AWEZNQCLSA-N 1 1 297.358 3.739 20 30 CHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccncc1 ZINC000610927460 1125388010 /nfs/dbraw/zinc/38/80/10/1125388010.db2.gz FMHIMJHDNBZDSB-AWEZNQCLSA-N 1 1 297.358 3.739 20 30 CHEDMO N#Cc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883384167 1125407583 /nfs/dbraw/zinc/40/75/83/1125407583.db2.gz MSBHGZAYHUGFGE-ROUUACIJSA-N 1 1 280.346 3.673 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnccc1C ZINC000348238251 1125426930 /nfs/dbraw/zinc/42/69/30/1125426930.db2.gz OGVGVJZJYHCHSR-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000348246574 1125429888 /nfs/dbraw/zinc/42/98/88/1125429888.db2.gz RDUPXKIOTRAHHQ-RISCZKNCSA-N 1 1 282.309 3.525 20 30 CHEDMO N#CC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000123714777 1125431791 /nfs/dbraw/zinc/43/17/91/1125431791.db2.gz AQJSEESZVBNDQF-UHFFFAOYSA-N 1 1 289.429 3.607 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2C)ccc1OC ZINC000124405308 1125437300 /nfs/dbraw/zinc/43/73/00/1125437300.db2.gz IHKOHJAOIOCSBX-CQSZACIVSA-N 1 1 275.392 3.634 20 30 CHEDMO C#CCCCCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC001168252294 1125439241 /nfs/dbraw/zinc/43/92/41/1125439241.db2.gz KTIJLPGALMDWQF-UHFFFAOYSA-N 1 1 259.368 3.768 20 30 CHEDMO CSC(C)(C)C[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258346546 1129227521 /nfs/dbraw/zinc/22/75/21/1129227521.db2.gz STRNNCFLCKHVEG-ZDUSSCGKSA-N 1 1 276.449 3.910 20 30 CHEDMO C=CCc1cc(C[N@H+]2CCCC3(CC3)C2)c(O)c(OC)c1 ZINC000184867393 1129260447 /nfs/dbraw/zinc/26/04/47/1129260447.db2.gz OOJZKYPISZRCMZ-UHFFFAOYSA-N 1 1 287.403 3.505 20 30 CHEDMO C=C(Br)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000734641187 1129316413 /nfs/dbraw/zinc/31/64/13/1129316413.db2.gz XCCJDFSLCHSWNP-TZMCWYRMSA-N 1 1 280.209 3.773 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275.421 3.565 20 30 CHEDMO CCCCCCCCC/C=C/C(=O)N1CCC[N@@H+](C)CC1 ZINC000737766360 1129388256 /nfs/dbraw/zinc/38/82/56/1129388256.db2.gz GKEWSAQCRBMPLV-ACCUITESSA-N 1 1 294.483 3.847 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000739930838 1129409769 /nfs/dbraw/zinc/40/97/69/1129409769.db2.gz PDFFSBUTCFCHBB-UHFFFAOYSA-N 1 1 272.392 3.767 20 30 CHEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000740423360 1129413290 /nfs/dbraw/zinc/41/32/90/1129413290.db2.gz HSEDCUHSVHYIRS-PWSUYJOCSA-N 1 1 260.219 3.796 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000740875085 1129421620 /nfs/dbraw/zinc/42/16/20/1129421620.db2.gz DAIIMJGLWOJHTK-HNNXBMFYSA-N 1 1 279.428 3.918 20 30 CHEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000248582129 1129423112 /nfs/dbraw/zinc/42/31/12/1129423112.db2.gz FMZBMVLQVAQFDO-LSDHHAIUSA-N 1 1 295.386 3.565 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000740861061 1129423168 /nfs/dbraw/zinc/42/31/68/1129423168.db2.gz 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C[C@H](C#N)OCC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000801934250 1129961225 /nfs/dbraw/zinc/96/12/25/1129961225.db2.gz IGUORLIQRJUCMM-CQSZACIVSA-N 1 1 292.382 3.617 20 30 CHEDMO Cc1cc(NCc2ccc(C(C)(C)C#N)cc2)nc(C)[nH+]1 ZINC000902172668 1129985823 /nfs/dbraw/zinc/98/58/23/1129985823.db2.gz ZWROZIKNIXQOCF-UHFFFAOYSA-N 1 1 280.375 3.507 20 30 CHEDMO C=CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000771640563 1129987160 /nfs/dbraw/zinc/98/71/60/1129987160.db2.gz HUPQTFRSBYIUKJ-UHFFFAOYSA-N 1 1 275.392 3.546 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccncc1 ZINC000772457609 1130023713 /nfs/dbraw/zinc/02/37/13/1130023713.db2.gz XZPJOUNWJGEYSF-WCQYABFASA-N 1 1 259.378 3.506 20 30 CHEDMO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(C)(C)C ZINC000802641880 1130024950 /nfs/dbraw/zinc/02/49/50/1130024950.db2.gz JNDHKBOZYIZCFO-YOEHRIQHSA-N 1 1 286.419 3.614 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000772600779 1130033388 /nfs/dbraw/zinc/03/33/88/1130033388.db2.gz ZDJOZFDCSPNHRK-KSSFIOAISA-N 1 1 295.386 3.643 20 30 CHEDMO CC[C@H](NC1CC[NH+](CC(C)C)CC1)c1cccc(C#N)c1 ZINC000902737032 1130048765 /nfs/dbraw/zinc/04/87/65/1130048765.db2.gz OIMDOKRFAQYHJG-IBGZPJMESA-N 1 1 299.462 3.719 20 30 CHEDMO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902758844 1130052720 /nfs/dbraw/zinc/05/27/20/1130052720.db2.gz JOQNRXBGEMUGKH-CQSZACIVSA-N 1 1 295.386 3.591 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1cc(C#N)ccn1 ZINC000902776046 1130055988 /nfs/dbraw/zinc/05/59/88/1130055988.db2.gz DANFJKFUEZZOAW-SJKOYZFVSA-N 1 1 295.411 3.592 20 30 CHEDMO CCC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902789337 1130057537 /nfs/dbraw/zinc/05/75/37/1130057537.db2.gz FHHFFLVWLVCZKN-CJNGLKHVSA-N 1 1 280.375 3.540 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000785997003 1130072163 /nfs/dbraw/zinc/07/21/63/1130072163.db2.gz JFJWBZCALAQCFQ-DOMZBBRYSA-N 1 1 283.774 3.553 20 30 CHEDMO CC(=NNC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786043283 1130076742 /nfs/dbraw/zinc/07/67/42/1130076742.db2.gz MKOHBPGPQIJWHE-SFHVURJKSA-N 1 1 299.462 3.807 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000786101668 1130078886 /nfs/dbraw/zinc/07/88/86/1130078886.db2.gz IEATWTGFTQIRHS-UHFFFAOYSA-N 1 1 277.408 3.706 20 30 CHEDMO C=C(Br)C[N@H+](C(C)C)C1CCCCC1 ZINC000749070661 1130087742 /nfs/dbraw/zinc/08/77/42/1130087742.db2.gz WPAJQHGVMCCDBK-UHFFFAOYSA-N 1 1 260.219 3.938 20 30 CHEDMO CC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C#N)c1 ZINC000902975092 1130093728 /nfs/dbraw/zinc/09/37/28/1130093728.db2.gz CEGDPFSWDHJKSM-CTWPCTMYSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1cc(C#N)ccn1 ZINC000902999517 1130097711 /nfs/dbraw/zinc/09/77/11/1130097711.db2.gz PURMBKOTMGOMIP-LBPRGKRZSA-N 1 1 295.361 3.821 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CCC1 ZINC000903033538 1130103304 /nfs/dbraw/zinc/10/33/04/1130103304.db2.gz WVECCHNFVHWTEG-AWEZNQCLSA-N 1 1 260.768 3.611 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000903102040 1130112376 /nfs/dbraw/zinc/11/23/76/1130112376.db2.gz QHJRHYADVHBBLP-ZDUSSCGKSA-N 1 1 297.324 3.617 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903101359 1130112451 /nfs/dbraw/zinc/11/24/51/1130112451.db2.gz FXNBOUVUSFCQRA-HNNXBMFYSA-N 1 1 287.363 3.502 20 30 CHEDMO Cc1ccc2cc([C@@H](C)[NH2+]CC(C)(C)C#N)oc2c1 ZINC000903101877 1130112663 /nfs/dbraw/zinc/11/26/63/1130112663.db2.gz OOIZIACFLPKIGC-GFCCVEGCSA-N 1 1 256.349 3.942 20 30 CHEDMO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903105219 1130113184 /nfs/dbraw/zinc/11/31/84/1130113184.db2.gz AVZXWLIEXDSJPW-CQSZACIVSA-N 1 1 290.794 3.756 20 30 CHEDMO Cc1ccc2cc([C@H](C)[NH2+]CC3(C#N)CC3)oc2c1 ZINC000903105536 1130113469 /nfs/dbraw/zinc/11/34/69/1130113469.db2.gz DLBZMONEGJGZBJ-LBPRGKRZSA-N 1 1 254.333 3.696 20 30 CHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107929 1130114829 /nfs/dbraw/zinc/11/48/29/1130114829.db2.gz IKURQLNXFVYXAX-CYBMUJFWSA-N 1 1 287.363 3.638 20 30 CHEDMO COC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Cl)cc1 ZINC000903108977 1130114890 /nfs/dbraw/zinc/11/48/90/1130114890.db2.gz JLYGDVAKLZSCQD-HNNXBMFYSA-N 1 1 292.810 3.701 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1nonc1C)c1cccc(Cl)c1 ZINC000903217372 1130131176 /nfs/dbraw/zinc/13/11/76/1130131176.db2.gz VUQWVGIGPOOICL-AWEZNQCLSA-N 1 1 291.782 3.829 20 30 CHEDMO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903262870 1130139361 /nfs/dbraw/zinc/13/93/61/1130139361.db2.gz IDCDMIHYNDGZOS-SMDDNHRTSA-N 1 1 283.400 3.661 20 30 CHEDMO CC[N@H+]1CCc2cc(-c3cc(F)c(C#N)c(F)c3)ccc2C1 ZINC001239922293 1130153162 /nfs/dbraw/zinc/15/31/62/1130153162.db2.gz YUSSMDIHYYDSMQ-UHFFFAOYSA-N 1 1 298.336 3.881 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000787997355 1130168236 /nfs/dbraw/zinc/16/82/36/1130168236.db2.gz LBPHYKWOJOKKOH-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO C=C[C@H](CC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000788116263 1130173815 /nfs/dbraw/zinc/17/38/15/1130173815.db2.gz IUZKHEYVANKPIQ-KBAYOESNSA-N 1 1 299.414 3.516 20 30 CHEDMO COc1ccc(C[NH2+]Cc2cscc2Cl)cc1C#N ZINC000746743487 1130182666 /nfs/dbraw/zinc/18/26/66/1130182666.db2.gz ZCKUOXMIKFHNEU-UHFFFAOYSA-N 1 1 292.791 3.572 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788646880 1130197712 /nfs/dbraw/zinc/19/77/12/1130197712.db2.gz TUJOWGBNAVVBKM-QMMMGPOBSA-N 1 1 279.689 3.814 20 30 CHEDMO N#Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001240387492 1130286445 /nfs/dbraw/zinc/28/64/45/1130286445.db2.gz SLJBKYCYSSRKTN-UHFFFAOYSA-N 1 1 299.377 3.719 20 30 CHEDMO Cc1nccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001240390198 1130288166 /nfs/dbraw/zinc/28/81/66/1130288166.db2.gz GDJPTZQNCFBDHQ-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000826946110 1130317253 /nfs/dbraw/zinc/31/72/53/1130317253.db2.gz DVGLLVXCDSJITJ-JTQLQIEISA-N 1 1 288.222 3.515 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000826946110 1130317259 /nfs/dbraw/zinc/31/72/59/1130317259.db2.gz DVGLLVXCDSJITJ-JTQLQIEISA-N 1 1 288.222 3.515 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000678196405 1130368554 /nfs/dbraw/zinc/36/85/54/1130368554.db2.gz POSNINJVOSNTIM-UHFFFAOYSA-N 1 1 295.382 3.646 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000678196405 1130368561 /nfs/dbraw/zinc/36/85/61/1130368561.db2.gz POSNINJVOSNTIM-UHFFFAOYSA-N 1 1 295.382 3.646 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(C(F)F)c1 ZINC000791470316 1130378146 /nfs/dbraw/zinc/37/81/46/1130378146.db2.gz GKWNSUZQQMSMIQ-UHFFFAOYSA-N 1 1 266.335 3.996 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(C(F)F)c1 ZINC000791470316 1130378150 /nfs/dbraw/zinc/37/81/50/1130378150.db2.gz GKWNSUZQQMSMIQ-UHFFFAOYSA-N 1 1 266.335 3.996 20 30 CHEDMO C#CC[N@@H+](Cc1ccsc1Cl)C1CCCC1 ZINC000792169499 1130436083 /nfs/dbraw/zinc/43/60/83/1130436083.db2.gz KYWFMDFIACRCEW-UHFFFAOYSA-N 1 1 253.798 3.779 20 30 CHEDMO C#CC[N@H+](Cc1ccsc1Cl)C1CCCC1 ZINC000792169499 1130436088 /nfs/dbraw/zinc/43/60/88/1130436088.db2.gz KYWFMDFIACRCEW-UHFFFAOYSA-N 1 1 253.798 3.779 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@]12CCOC2=O ZINC000792294196 1130443579 /nfs/dbraw/zinc/44/35/79/1130443579.db2.gz GYPQUFYSBQCXGQ-MRXNPFEDSA-N 1 1 267.413 3.519 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCO[C@@H](CC)C1 ZINC001170233520 1130463414 /nfs/dbraw/zinc/46/34/14/1130463414.db2.gz GROOPRBRDJAKDN-IRXDYDNUSA-N 1 1 259.393 3.632 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCO[C@@H](CC)C1 ZINC001170227080 1130468485 /nfs/dbraw/zinc/46/84/85/1130468485.db2.gz MDRXGTLCMFMFDK-ZIFCJYIRSA-N 1 1 283.415 3.567 20 30 CHEDMO C=CCCC[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001170301451 1130477075 /nfs/dbraw/zinc/47/70/75/1130477075.db2.gz VMDLWZDOKRLTNS-UHFFFAOYSA-N 1 1 256.393 3.764 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910713 1130506614 /nfs/dbraw/zinc/50/66/14/1130506614.db2.gz VUCHSFGUXBQJLA-YPMHNXCESA-N 1 1 289.250 3.832 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(N(C)C)c1 ZINC000679328714 1130515710 /nfs/dbraw/zinc/51/57/10/1130515710.db2.gz JJJKBZZBGWHSFQ-UHFFFAOYSA-N 1 1 284.403 3.576 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001255162979 1130527015 /nfs/dbraw/zinc/52/70/15/1130527015.db2.gz AMDIAZQRQAIUJK-NHYWBVRUSA-N 1 1 264.319 3.624 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000700378588 1130545670 /nfs/dbraw/zinc/54/56/70/1130545670.db2.gz GFDRCBMRMZIEFO-HZPDHXFCSA-N 1 1 255.446 3.687 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000793388635 1130552073 /nfs/dbraw/zinc/55/20/73/1130552073.db2.gz HLVIWRIKRYAMRV-HNNXBMFYSA-N 1 1 298.430 3.990 20 30 CHEDMO CC(=[NH+]OCc1ccc(F)cc1)c1ccc(N)cc1C ZINC000758143710 1130600826 /nfs/dbraw/zinc/60/08/26/1130600826.db2.gz VAUVJWKFTMCLOO-UHFFFAOYSA-N 1 1 272.323 3.657 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000811516544 1130615650 /nfs/dbraw/zinc/61/56/50/1130615650.db2.gz OZHIVLHIWKKULY-QGZVFWFLSA-N 1 1 297.785 3.739 20 30 CHEDMO C#C[C@@](C)(CC)Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001158738685 1130624911 /nfs/dbraw/zinc/62/49/11/1130624911.db2.gz UXUQULOLJAHFJE-INIZCTEOSA-N 1 1 291.826 3.545 20 30 CHEDMO C[C@@H]1CC(=NOC/C=C/Cl)CC[N@H+]1Cc1ccccc1 ZINC000811671134 1130634710 /nfs/dbraw/zinc/63/47/10/1130634710.db2.gz AIJBSZGNXOEFOD-GFJVBFGGSA-N 1 1 292.810 3.796 20 30 CHEDMO Cc1cccc(C(C)C)c1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000812232245 1130671979 /nfs/dbraw/zinc/67/19/79/1130671979.db2.gz ZJEVFJBSVOFTRC-MRXNPFEDSA-N 1 1 271.408 3.754 20 30 CHEDMO Cc1cccc(C(C)C)c1N[NH2+]C1=CC(=O)N2CCCC[C@H]12 ZINC000812232668 1130674934 /nfs/dbraw/zinc/67/49/34/1130674934.db2.gz JWGSTFLTFJDQHZ-MRXNPFEDSA-N 1 1 299.418 3.671 20 30 CHEDMO C=CCCCCCCCCCN1CCC2(C[NH2+]C2)C1 ZINC001235024052 1130703403 /nfs/dbraw/zinc/70/34/03/1130703403.db2.gz KBLUNBNBQKGTAJ-UHFFFAOYSA-N 1 1 264.457 3.589 20 30 CHEDMO CC(C)CNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781124293 1130704681 /nfs/dbraw/zinc/70/46/81/1130704681.db2.gz CYGQYKNCAVFUSS-QZTJIDSGSA-N 1 1 299.462 3.520 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(OC(F)F)c1)C(C)C ZINC000747811244 1130711025 /nfs/dbraw/zinc/71/10/25/1130711025.db2.gz FLLFZZNMQLRNBR-UHFFFAOYSA-N 1 1 255.308 3.684 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cncc2ccccc21)c1ccc(F)cc1 ZINC000812793399 1130717561 /nfs/dbraw/zinc/71/75/61/1130717561.db2.gz RXSMUTHCYZHYQB-LJQANCHMSA-N 1 1 290.341 3.838 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C#N)cc1F ZINC000781424760 1130717834 /nfs/dbraw/zinc/71/78/34/1130717834.db2.gz YUMZGVXPQPNWAJ-LLVKDONJSA-N 1 1 297.308 3.559 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000812793678 1130717841 /nfs/dbraw/zinc/71/78/41/1130717841.db2.gz ZUUPESQQNNIVOH-QGZVFWFLSA-N 1 1 278.330 3.771 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC000812794016 1130718821 /nfs/dbraw/zinc/71/88/21/1130718821.db2.gz NHBZCCYAHAKNKI-SFHVURJKSA-N 1 1 267.347 3.907 20 30 CHEDMO 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1131425078 /nfs/dbraw/zinc/42/50/78/1131425078.db2.gz QJUIELHFKHTOKO-IBGZPJMESA-N 1 1 293.414 3.830 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000829775001 1131432375 /nfs/dbraw/zinc/43/23/75/1131432375.db2.gz XDGORQMJTKOQHO-OAHLLOKOSA-N 1 1 280.371 3.577 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000829784288 1131432681 /nfs/dbraw/zinc/43/26/81/1131432681.db2.gz IHOWBTSYXIFEDN-AWEZNQCLSA-N 1 1 289.444 3.652 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000829774290 1131432938 /nfs/dbraw/zinc/43/29/38/1131432938.db2.gz OWTJKWWHPJDIAS-MRXNPFEDSA-N 1 1 294.398 3.885 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000829779109 1131433054 /nfs/dbraw/zinc/43/30/54/1131433054.db2.gz NAGHYGZDXVJQMY-ZDUSSCGKSA-N 1 1 279.330 3.523 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@](C)(O)c1ccccc1 ZINC000823605369 1131433739 /nfs/dbraw/zinc/43/37/39/1131433739.db2.gz JKRJNVWLGRKFPK-GOSISDBHSA-N 1 1 288.435 3.546 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000829811085 1131434222 /nfs/dbraw/zinc/43/42/22/1131434222.db2.gz XWFIJPJNPSQXOI-NSHDSACASA-N 1 1 253.798 3.637 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(F)c(F)c1F)C(C)(C)C ZINC001137941389 1131439831 /nfs/dbraw/zinc/43/98/31/1131439831.db2.gz NPOAQNPLKOJEPS-UHFFFAOYSA-N 1 1 257.299 3.890 20 30 CHEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1N ZINC001246280634 1131440979 /nfs/dbraw/zinc/44/09/79/1131440979.db2.gz RBKOYMUVBXLUAA-XHSDSOJGSA-N 1 1 254.462 3.985 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C)c2Cl)C1 ZINC001138028178 1131454527 /nfs/dbraw/zinc/45/45/27/1131454527.db2.gz ZQYKREUNVRPQJK-GFCCVEGCSA-N 1 1 265.759 3.633 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C)c2Cl)C1 ZINC001138028178 1131454529 /nfs/dbraw/zinc/45/45/29/1131454529.db2.gz ZQYKREUNVRPQJK-GFCCVEGCSA-N 1 1 265.759 3.633 20 30 CHEDMO C#CC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000830391055 1131455562 /nfs/dbraw/zinc/45/55/62/1131455562.db2.gz KESBRCWOLHTIJT-UHFFFAOYSA-N 1 1 288.391 3.716 20 30 CHEDMO CCCCCCCCC[C@H](CCC)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246310922 1131460958 /nfs/dbraw/zinc/46/09/58/1131460958.db2.gz OSSVHPAWADMRCR-BZSNNMDCSA-N 1 1 298.515 3.608 20 30 CHEDMO C=CC[N@H+](Cc1ccc2c(c1)CCCN2C)C(C)(C)C ZINC001138359020 1131494249 /nfs/dbraw/zinc/49/42/49/1131494249.db2.gz HNUJPZATLDZLFA-UHFFFAOYSA-N 1 1 272.436 3.856 20 30 CHEDMO CCc1cccc2c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c[nH]c21 ZINC001138365968 1131494756 /nfs/dbraw/zinc/49/47/56/1131494756.db2.gz PPIVFIQXDJBQOA-FFGGFLGDSA-N 1 1 293.414 3.997 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cccc(F)c12 ZINC001136985836 1131498028 /nfs/dbraw/zinc/49/80/28/1131498028.db2.gz XLGGDIUOFDTHMC-DEZZGGKRSA-N 1 1 283.350 3.574 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ncccc1O ZINC001138393160 1131498476 /nfs/dbraw/zinc/49/84/76/1131498476.db2.gz JBRGPQTXDLPKKA-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(OCC)cc1C ZINC001138434120 1131505038 /nfs/dbraw/zinc/50/50/38/1131505038.db2.gz KCVIYMUKDFBXDK-UHFFFAOYSA-N 1 1 274.408 3.910 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OCC)cc1C ZINC001138434120 1131505042 /nfs/dbraw/zinc/50/50/42/1131505042.db2.gz KCVIYMUKDFBXDK-UHFFFAOYSA-N 1 1 274.408 3.910 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138516153 1131515375 /nfs/dbraw/zinc/51/53/75/1131515375.db2.gz ISVASLXXQNKCIM-UHFFFAOYSA-N 1 1 267.372 3.980 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143357950 1131515410 /nfs/dbraw/zinc/51/54/10/1131515410.db2.gz PVLHPNHOBYWEET-UHFFFAOYSA-N 1 1 279.689 3.856 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001143726267 1131527802 /nfs/dbraw/zinc/52/78/02/1131527802.db2.gz JVDOYYAMXBIVIR-WBMJQRKESA-N 1 1 274.795 3.976 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001138664982 1131534033 /nfs/dbraw/zinc/53/40/33/1131534033.db2.gz DCDDCUAMNABAKR-INIZCTEOSA-N 1 1 284.403 3.767 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001138665889 1131535060 /nfs/dbraw/zinc/53/50/60/1131535060.db2.gz ZQAFNVDTSZEAQG-HNNXBMFYSA-N 1 1 277.383 3.823 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OCC)c2F)C1 ZINC001143832837 1131537701 /nfs/dbraw/zinc/53/77/01/1131537701.db2.gz MNFNOQPIFZDQSC-GFCCVEGCSA-N 1 1 295.785 3.723 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OCC)c2F)C1 ZINC001143832837 1131537704 /nfs/dbraw/zinc/53/77/04/1131537704.db2.gz MNFNOQPIFZDQSC-GFCCVEGCSA-N 1 1 295.785 3.723 20 30 CHEDMO C=CC[N@H+](Cc1cnc(N(CC)CC)s1)C(C)(C)C ZINC001138803585 1131551639 /nfs/dbraw/zinc/55/16/39/1131551639.db2.gz URFAJKCCCMTSHR-UHFFFAOYSA-N 1 1 281.469 3.776 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2occc2c1 ZINC001138824186 1131552418 /nfs/dbraw/zinc/55/24/18/1131552418.db2.gz CORZKDZZTGZQIY-MKZZRHPPSA-N 1 1 266.344 3.699 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440742 1131565151 /nfs/dbraw/zinc/56/51/51/1131565151.db2.gz WGOLIWDXJRKROD-IUODEOHRSA-N 1 1 276.330 3.740 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OCCCC)c2)C1 ZINC001138954829 1131565315 /nfs/dbraw/zinc/56/53/15/1131565315.db2.gz BFUXYLUKGBKMKR-INIZCTEOSA-N 1 1 271.404 3.711 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001139029657 1131574534 /nfs/dbraw/zinc/57/45/34/1131574534.db2.gz FQYBTPHNNICWIF-LSDHHAIUSA-N 1 1 259.393 3.872 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001139029426 1131574630 /nfs/dbraw/zinc/57/46/30/1131574630.db2.gz XTGIACVZSWGHND-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001139030219 1131574656 /nfs/dbraw/zinc/57/46/56/1131574656.db2.gz HNESBJDFDNLPLN-OAHLLOKOSA-N 1 1 259.393 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139029164 1131574979 /nfs/dbraw/zinc/57/49/79/1131574979.db2.gz QBLZGPSGZIFIOM-JKSUJKDBSA-N 1 1 271.404 3.873 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001139029656 1131575189 /nfs/dbraw/zinc/57/51/89/1131575189.db2.gz FQYBTPHNNICWIF-HUUCEWRRSA-N 1 1 259.393 3.872 20 30 CHEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001144083890 1131581655 /nfs/dbraw/zinc/58/16/55/1131581655.db2.gz WFHHUZGJTVVNPG-MRXNPFEDSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)nc1 ZINC001144160715 1131593682 /nfs/dbraw/zinc/59/36/82/1131593682.db2.gz SHIGCRKBIKHXSI-GOSISDBHSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)nc1 ZINC001144160715 1131593686 /nfs/dbraw/zinc/59/36/86/1131593686.db2.gz SHIGCRKBIKHXSI-GOSISDBHSA-N 1 1 295.361 3.820 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc(C#N)cn1 ZINC001144166471 1131594718 /nfs/dbraw/zinc/59/47/18/1131594718.db2.gz HLFPJWRZRSBBKE-UHFFFAOYSA-N 1 1 279.387 3.592 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cnc(N)s1 ZINC001139228977 1131598982 /nfs/dbraw/zinc/59/89/82/1131598982.db2.gz RQLATODTJFWKFS-UHFFFAOYSA-N 1 1 255.431 3.518 20 30 CHEDMO N#CC1CC[NH+](Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001139242910 1131599067 /nfs/dbraw/zinc/59/90/67/1131599067.db2.gz CWPDEXQKBORVOV-UHFFFAOYSA-N 1 1 293.370 3.609 20 30 CHEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402881 1131606803 /nfs/dbraw/zinc/60/68/03/1131606803.db2.gz ZYXNTBSHLIYILX-AWEZNQCLSA-N 1 1 279.387 3.851 20 30 CHEDMO C[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423739 1131607891 /nfs/dbraw/zinc/60/78/91/1131607891.db2.gz HXISCFIROAVACO-AWEZNQCLSA-N 1 1 293.370 3.730 20 30 CHEDMO CCOc1ccc(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139603880 1131620267 /nfs/dbraw/zinc/62/02/67/1131620267.db2.gz GXAGCDIJONYPQI-HNNXBMFYSA-N 1 1 272.392 3.519 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139648569 1131626810 /nfs/dbraw/zinc/62/68/10/1131626810.db2.gz XGOLGOUNLCNFTM-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001139691469 1131628737 /nfs/dbraw/zinc/62/87/37/1131628737.db2.gz XVBVGMBJUBQELC-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001139691469 1131628738 /nfs/dbraw/zinc/62/87/38/1131628738.db2.gz XVBVGMBJUBQELC-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139687021 1131628810 /nfs/dbraw/zinc/62/88/10/1131628810.db2.gz KIVQNVKYNKIWAN-QWHCGFSZSA-N 1 1 274.795 3.834 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701314 1131630293 /nfs/dbraw/zinc/63/02/93/1131630293.db2.gz DPWMVGXHTAQBPZ-ZDUSSCGKSA-N 1 1 267.376 3.662 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1C#N ZINC001139726354 1131632064 /nfs/dbraw/zinc/63/20/64/1131632064.db2.gz JYXKPUZPBCUAAW-INIZCTEOSA-N 1 1 294.373 3.995 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1C#N ZINC001139724626 1131632393 /nfs/dbraw/zinc/63/23/93/1131632393.db2.gz XWIGLLDAURFHBU-LJQANCHMSA-N 1 1 292.382 3.520 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc1C#N ZINC001139723286 1131632711 /nfs/dbraw/zinc/63/27/11/1131632711.db2.gz YUQPQJGTHLGUHM-UHFFFAOYSA-N 1 1 278.346 3.734 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2cccnc2c1)C1CCCCC1 ZINC001139746042 1131634987 /nfs/dbraw/zinc/63/49/87/1131634987.db2.gz PZRWULGBHWAHDZ-UHFFFAOYSA-N 1 1 281.403 3.951 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)cn1 ZINC001139768265 1131635554 /nfs/dbraw/zinc/63/55/54/1131635554.db2.gz LUTZAMZCUNSOQT-GOSISDBHSA-N 1 1 281.403 3.715 20 30 CHEDMO C=CCn1cc(C[N@H+]2CCCC[C@H]2c2ccccc2F)cn1 ZINC001139770448 1131636427 /nfs/dbraw/zinc/63/64/27/1131636427.db2.gz NOVXNBAMOKMBBL-SFHVURJKSA-N 1 1 299.393 3.935 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)cn1 ZINC001139770448 1131636429 /nfs/dbraw/zinc/63/64/29/1131636429.db2.gz NOVXNBAMOKMBBL-SFHVURJKSA-N 1 1 299.393 3.935 20 30 CHEDMO C=CCn1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cn1 ZINC001139770612 1131637120 /nfs/dbraw/zinc/63/71/20/1131637120.db2.gz UEQCTYOFWPAGPN-GOSISDBHSA-N 1 1 295.430 3.524 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccc(F)c2ccccc12 ZINC001139890792 1131647765 /nfs/dbraw/zinc/64/77/65/1131647765.db2.gz FVHNMGYUOXPJAC-UHFFFAOYSA-N 1 1 256.324 3.714 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccc(F)c2ccccc12 ZINC001139890792 1131647767 /nfs/dbraw/zinc/64/77/67/1131647767.db2.gz FVHNMGYUOXPJAC-UHFFFAOYSA-N 1 1 256.324 3.714 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cncc3ccccc31)C2 ZINC001139893885 1131648712 /nfs/dbraw/zinc/64/87/12/1131648712.db2.gz LPHMDBWCPPNGCM-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc1 ZINC001144568480 1131660827 /nfs/dbraw/zinc/66/08/27/1131660827.db2.gz WRXBDIVADDGOLA-UHFFFAOYSA-N 1 1 263.331 3.535 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccccc2OC)cc1 ZINC001144576593 1131662102 /nfs/dbraw/zinc/66/21/02/1131662102.db2.gz OEGMSVNWFNERFV-OAHLLOKOSA-N 1 1 279.383 3.870 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)c2c1 ZINC001140110943 1131665624 /nfs/dbraw/zinc/66/56/24/1131665624.db2.gz VJYOHXFYRZJZBC-HUUCEWRRSA-N 1 1 279.387 3.662 20 30 CHEDMO C=CCC[N@@H+](Cc1ncn2ccccc12)Cc1ccccc1 ZINC001144622167 1131669462 /nfs/dbraw/zinc/66/94/62/1131669462.db2.gz DYAJIEISJBDXCX-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171239 1131671211 /nfs/dbraw/zinc/67/12/11/1131671211.db2.gz JHYWBSZNVYPKBN-MRXNPFEDSA-N 1 1 276.383 3.594 20 30 CHEDMO COc1ccc(Cl)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000846010860 1131677939 /nfs/dbraw/zinc/67/79/39/1131677939.db2.gz JSOBKOVJKAVMKK-UHFFFAOYSA-N 1 1 278.783 3.522 20 30 CHEDMO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1F ZINC000846010280 1131677961 /nfs/dbraw/zinc/67/79/61/1131677961.db2.gz IGENIFQXZQGFPV-HNNXBMFYSA-N 1 1 260.356 3.950 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140321230 1131696339 /nfs/dbraw/zinc/69/63/39/1131696339.db2.gz YEGJDSMQEHJAJL-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2scnc2c1 ZINC001144737487 1131698673 /nfs/dbraw/zinc/69/86/73/1131698673.db2.gz WUTLABUVIZTWKI-UHFFFAOYSA-N 1 1 273.405 3.812 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2scnc2c1 ZINC001144737487 1131698676 /nfs/dbraw/zinc/69/86/76/1131698676.db2.gz WUTLABUVIZTWKI-UHFFFAOYSA-N 1 1 273.405 3.812 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ccccn1 ZINC001171221998 1131707092 /nfs/dbraw/zinc/70/70/92/1131707092.db2.gz ZCJVTKNMUBDMOL-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC12CC2 ZINC001171222065 1131707512 /nfs/dbraw/zinc/70/75/12/1131707512.db2.gz CHLHROPODBMOQQ-AWEZNQCLSA-N 1 1 254.377 3.508 20 30 CHEDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230999 1131713539 /nfs/dbraw/zinc/71/35/39/1131713539.db2.gz ZPJIPBHFIXRGOT-HNNXBMFYSA-N 1 1 294.398 3.717 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccccc1-c1nccs1 ZINC001140454197 1131744505 /nfs/dbraw/zinc/74/45/05/1131744505.db2.gz YRMXGUKZZZEVSV-UHFFFAOYSA-N 1 1 285.416 3.936 20 30 CHEDMO CCOc1ccc(N[NH+]=C2CCCc3cc(N)ccc32)cc1 ZINC000834983314 1131749201 /nfs/dbraw/zinc/74/92/01/1131749201.db2.gz NFILKFNASSEXNB-UHFFFAOYSA-N 1 1 295.386 3.820 20 30 CHEDMO CCCCCCC[C@H](CCC)N1CC[C@@]2(CC[NH2+]2)C1 ZINC001246635723 1131752611 /nfs/dbraw/zinc/75/26/11/1131752611.db2.gz LAPNJBXSCPZQPS-IRXDYDNUSA-N 1 1 266.473 3.953 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(Cc2nc(CC)cs2)CC1 ZINC000847036764 1131769968 /nfs/dbraw/zinc/76/99/68/1131769968.db2.gz ZIHWEGHABVWEGZ-UHFFFAOYSA-N 1 1 284.856 3.713 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)s1 ZINC001140523320 1131778553 /nfs/dbraw/zinc/77/85/53/1131778553.db2.gz MBTNZZUQSMGXKS-UHFFFAOYSA-N 1 1 283.437 3.937 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cn1 ZINC001140544642 1131787362 /nfs/dbraw/zinc/78/73/62/1131787362.db2.gz XDIFSLKGVOTQAP-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140546519 1131788746 /nfs/dbraw/zinc/78/87/46/1131788746.db2.gz MHXYLTBGPFNUDG-IBGZPJMESA-N 1 1 291.398 3.907 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001140601338 1131821470 /nfs/dbraw/zinc/82/14/70/1131821470.db2.gz NRZFMDWXRNLJLH-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001140600314 1131821524 /nfs/dbraw/zinc/82/15/24/1131821524.db2.gz HENOWFUYHQJMEY-KGLIPLIRSA-N 1 1 274.795 3.834 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(Br)c(C)cc1F ZINC001140698177 1131877324 /nfs/dbraw/zinc/87/73/24/1131877324.db2.gz XDQXFWSBHZDUEF-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Br)c(C)cc1F ZINC001140698177 1131877335 /nfs/dbraw/zinc/87/73/35/1131877335.db2.gz XDQXFWSBHZDUEF-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(CO)o1)C1CCCCCCC1 ZINC001140682136 1131858645 /nfs/dbraw/zinc/85/86/45/1131858645.db2.gz VVMRHNBFYRPOEJ-UHFFFAOYSA-N 1 1 290.407 3.600 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(CO)o1)C1CCCCCCC1 ZINC001140682136 1131858649 /nfs/dbraw/zinc/85/86/49/1131858649.db2.gz VVMRHNBFYRPOEJ-UHFFFAOYSA-N 1 1 290.407 3.600 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2cnc(C#N)c(F)c2)c(C)c1 ZINC001203061674 1131894634 /nfs/dbraw/zinc/89/46/34/1131894634.db2.gz ZXWNNVOYVYGPHR-UHFFFAOYSA-N 1 1 298.365 3.991 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(Cl)c1 ZINC000348175729 1131900598 /nfs/dbraw/zinc/90/05/98/1131900598.db2.gz DRDJRAWEDLEVJX-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348182262 1131900696 /nfs/dbraw/zinc/90/06/96/1131900696.db2.gz QBWIJUCFJGXASK-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348182262 1131900700 /nfs/dbraw/zinc/90/07/00/1131900700.db2.gz QBWIJUCFJGXASK-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(OC)cc(O)cc1OC ZINC001140770867 1131910755 /nfs/dbraw/zinc/91/07/55/1131910755.db2.gz IPIVMBJTTURISV-UHFFFAOYSA-N 1 1 295.423 3.812 20 30 CHEDMO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030010 1131923929 /nfs/dbraw/zinc/92/39/29/1131923929.db2.gz IYFVXTKYEKFRHX-ZDUSSCGKSA-N 1 1 298.361 3.865 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1Cl ZINC001140806065 1131929139 /nfs/dbraw/zinc/92/91/39/1131929139.db2.gz AQXCYYMTOUEGBJ-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1Cl ZINC001140806065 1131929142 /nfs/dbraw/zinc/92/91/42/1131929142.db2.gz AQXCYYMTOUEGBJ-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1Cl ZINC001140808378 1131931919 /nfs/dbraw/zinc/93/19/19/1131931919.db2.gz RGSIGMVHYRYVRK-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC001140809792 1131931988 /nfs/dbraw/zinc/93/19/88/1131931988.db2.gz HXOGDRFQVIBMIL-SWLSCSKDSA-N 1 1 274.795 3.976 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](F)CC2)c1Cl ZINC001140808418 1131932643 /nfs/dbraw/zinc/93/26/43/1131932643.db2.gz RUTHQJFLZCEIMS-ZDUSSCGKSA-N 1 1 266.747 3.536 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(Br)cc1C ZINC001140817196 1131932867 /nfs/dbraw/zinc/93/28/67/1131932867.db2.gz OXQLMKFEPBTJPL-UHFFFAOYSA-N 1 1 295.224 3.883 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(Br)cc1C ZINC001140817196 1131932872 /nfs/dbraw/zinc/93/28/72/1131932872.db2.gz OXQLMKFEPBTJPL-UHFFFAOYSA-N 1 1 295.224 3.883 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140810191 1131933068 /nfs/dbraw/zinc/93/30/68/1131933068.db2.gz XPMXNRBHYSNJMP-CQSZACIVSA-N 1 1 262.784 3.976 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1Cl ZINC001140810682 1131933306 /nfs/dbraw/zinc/93/33/06/1131933306.db2.gz CEABWWXMAQJCRP-JSGCOSHPSA-N 1 1 274.795 3.834 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)[C@@H](C)C1 ZINC001140809994 1131933459 /nfs/dbraw/zinc/93/34/59/1131933459.db2.gz PVZIQYHMKWQNGF-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC001171381784 1131942721 /nfs/dbraw/zinc/94/27/21/1131942721.db2.gz PONJZNHNIBAKBJ-ZIAGYGMSSA-N 1 1 261.796 3.812 20 30 CHEDMO C=CC[N@H+](Cc1c(N)cccc1F)C1CCCCC1 ZINC001140876882 1131954670 /nfs/dbraw/zinc/95/46/70/1131954670.db2.gz PLAKABSNBJULDJ-UHFFFAOYSA-N 1 1 262.372 3.729 20 30 CHEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(C)c2Cl)no1 ZINC001247623037 1131959784 /nfs/dbraw/zinc/95/97/84/1131959784.db2.gz VXUHHDXMYQSSBQ-NSHDSACASA-N 1 1 277.755 3.664 20 30 CHEDMO C=CCc1ccccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001228845350 1131965315 /nfs/dbraw/zinc/96/53/15/1131965315.db2.gz BNYFGMWNSOSUAQ-ALXJQNPVSA-N 1 1 271.404 3.524 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc(-c2ncccn2)c1 ZINC001140980640 1131977771 /nfs/dbraw/zinc/97/77/71/1131977771.db2.gz FZGDQUQHDTUPIG-UHFFFAOYSA-N 1 1 281.403 3.932 20 30 CHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(C#N)cc1C(C)(C)C)C2 ZINC001228992273 1131994234 /nfs/dbraw/zinc/99/42/34/1131994234.db2.gz GZTKCLMNNWXJQR-MUJYYYPQSA-N 1 1 298.430 3.860 20 30 CHEDMO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C1CCCCC1 ZINC001141108746 1132020647 /nfs/dbraw/zinc/02/06/47/1132020647.db2.gz FYBPCCOBKNSBOC-UHFFFAOYSA-N 1 1 283.828 3.620 20 30 CHEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC001141114052 1132021204 /nfs/dbraw/zinc/02/12/04/1132021204.db2.gz BYICMCJOYXSFGA-KOLCDFICSA-N 1 1 295.839 3.620 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112222 1132022105 /nfs/dbraw/zinc/02/21/05/1132022105.db2.gz UJQLQCOKIMICJH-VIFPVBQESA-N 1 1 283.828 3.620 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](CCCc2cccc(C)c2)C1 ZINC001171490451 1132037923 /nfs/dbraw/zinc/03/79/23/1132037923.db2.gz OQOQTYPJKNYHFS-GOSISDBHSA-N 1 1 255.405 3.663 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141184024 1132038819 /nfs/dbraw/zinc/03/88/19/1132038819.db2.gz ZFQSKOUOGJVZRL-UHFFFAOYSA-N 1 1 286.419 3.916 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141184024 1132038825 /nfs/dbraw/zinc/03/88/25/1132038825.db2.gz ZFQSKOUOGJVZRL-UHFFFAOYSA-N 1 1 286.419 3.916 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001141195169 1132039161 /nfs/dbraw/zinc/03/91/61/1132039161.db2.gz CRLULZALHQFGSO-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001141195169 1132039167 /nfs/dbraw/zinc/03/91/67/1132039167.db2.gz CRLULZALHQFGSO-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544743 1132045407 /nfs/dbraw/zinc/04/54/07/1132045407.db2.gz YYCAKPHEFSLPPB-LBPRGKRZSA-N 1 1 283.337 3.859 20 30 CHEDMO CCc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001141224550 1132049047 /nfs/dbraw/zinc/04/90/47/1132049047.db2.gz BRHLAFPWMNNBSR-UHFFFAOYSA-N 1 1 276.383 3.679 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC001171571736 1132059838 /nfs/dbraw/zinc/05/98/38/1132059838.db2.gz AQDZANJFGAFIDK-MRXNPFEDSA-N 1 1 279.383 3.564 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2c(C)cccc2C1 ZINC001171571325 1132059886 /nfs/dbraw/zinc/05/98/86/1132059886.db2.gz VOAZOYRKTYLZIG-QGZVFWFLSA-N 1 1 270.420 3.868 20 30 CHEDMO C#CCCCCCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC001171631801 1132063218 /nfs/dbraw/zinc/06/32/18/1132063218.db2.gz QOVFUKOLASZQRM-UHFFFAOYSA-N 1 1 293.451 3.766 20 30 CHEDMO CCC[C@H](C)CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001171792628 1132102617 /nfs/dbraw/zinc/10/26/17/1132102617.db2.gz WUXYKTHIBRZLTQ-MAUKXSAKSA-N 1 1 288.435 3.740 20 30 CHEDMO C#CCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171978019 1132119983 /nfs/dbraw/zinc/11/99/83/1132119983.db2.gz FIFFPUBEQMYZFW-IBGZPJMESA-N 1 1 298.474 3.823 20 30 CHEDMO C=CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075753 1132123878 /nfs/dbraw/zinc/12/38/78/1132123878.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075753 1132123884 /nfs/dbraw/zinc/12/38/84/1132123884.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075753 1132123890 /nfs/dbraw/zinc/12/38/90/1132123890.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075753 1132123894 /nfs/dbraw/zinc/12/38/94/1132123894.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 1 1 284.447 3.690 20 30 CHEDMO C#CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172064901 1132124553 /nfs/dbraw/zinc/12/45/53/1132124553.db2.gz ILAKGWIQEHUJBU-OWZKRDHZSA-N 1 1 296.458 3.575 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccs1 ZINC001172304816 1132153563 /nfs/dbraw/zinc/15/35/63/1132153563.db2.gz AGUQZJGJMJXFOE-CYBMUJFWSA-N 1 1 270.401 3.683 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCCC[C@@H]1C ZINC001172306390 1132154095 /nfs/dbraw/zinc/15/40/95/1132154095.db2.gz JYMZPNJXDLLPIY-LSDHHAIUSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccco1)C1CC1 ZINC001172310940 1132154569 /nfs/dbraw/zinc/15/45/69/1132154569.db2.gz LWPRRYMOXFCZBP-AWEZNQCLSA-N 1 1 280.371 3.747 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC2(CCC2)C1 ZINC001172311962 1132155023 /nfs/dbraw/zinc/15/50/23/1132155023.db2.gz CYOMOVLJZWPZOF-HNNXBMFYSA-N 1 1 268.404 3.755 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310850 1132155103 /nfs/dbraw/zinc/15/51/03/1132155103.db2.gz KDJPBHRRFLJSPE-WMLDXEAASA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(F)c1 ZINC001172313378 1132155445 /nfs/dbraw/zinc/15/54/45/1132155445.db2.gz VXRNNSRTJMJCEP-HNNXBMFYSA-N 1 1 296.389 3.803 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](C)C1 ZINC001172315073 1132156506 /nfs/dbraw/zinc/15/65/06/1132156506.db2.gz NJBHIOCDGLHPOQ-CABCVRRESA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001172373940 1132167980 /nfs/dbraw/zinc/16/79/80/1132167980.db2.gz OTOXOFUYXAWMGW-JKIFEVAISA-N 1 1 256.393 3.815 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC001172345702 1132179471 /nfs/dbraw/zinc/17/94/71/1132179471.db2.gz BUHGOXXRNIITRM-CABCVRRESA-N 1 1 269.429 3.667 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+]C[C@H]1CCN(C)C1 ZINC001172345783 1132180811 /nfs/dbraw/zinc/18/08/11/1132180811.db2.gz COANLEKBDTTXJV-CVEARBPZSA-N 1 1 254.462 3.667 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001172354548 1132183799 /nfs/dbraw/zinc/18/37/99/1132183799.db2.gz JOUBXUKHMXEAJN-YESZJQIVSA-N 1 1 266.473 3.761 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001172355505 1132184645 /nfs/dbraw/zinc/18/46/45/1132184645.db2.gz BTTWDKLPVAZSJJ-JYJNAYRXSA-N 1 1 273.436 3.778 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001172356003 1132185681 /nfs/dbraw/zinc/18/56/81/1132185681.db2.gz UDOFKGZKHFUHLS-HRCADAONSA-N 1 1 253.430 3.846 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2ccnc2C1 ZINC001172359280 1132186730 /nfs/dbraw/zinc/18/67/30/1132186730.db2.gz UOXMMWRQWMHNQB-HNNXBMFYSA-N 1 1 263.429 3.838 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2ccnc2C1 ZINC001172359280 1132186733 /nfs/dbraw/zinc/18/67/33/1132186733.db2.gz UOXMMWRQWMHNQB-HNNXBMFYSA-N 1 1 263.429 3.838 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001172362136 1132189140 /nfs/dbraw/zinc/18/91/40/1132189140.db2.gz SOUSLLPAAUBLOH-IRXDYDNUSA-N 1 1 294.483 3.822 20 30 CHEDMO CC[C@@H](CC(C)C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172395388 1132218544 /nfs/dbraw/zinc/21/85/44/1132218544.db2.gz GBFKSTXXXUCUNA-KRWDZBQOSA-N 1 1 256.393 3.741 20 30 CHEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000839605707 1132227026 /nfs/dbraw/zinc/22/70/26/1132227026.db2.gz ZXMMCNXHEGYCRL-ZJUUUORDSA-N 1 1 255.711 3.792 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000839605707 1132227030 /nfs/dbraw/zinc/22/70/30/1132227030.db2.gz ZXMMCNXHEGYCRL-ZJUUUORDSA-N 1 1 255.711 3.792 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001172507413 1132256552 /nfs/dbraw/zinc/25/65/52/1132256552.db2.gz TZFSPIOLAXCARM-LBPRGKRZSA-N 1 1 250.773 3.854 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001172494732 1132248990 /nfs/dbraw/zinc/24/89/90/1132248990.db2.gz XPIBNOOOGUZWDY-NSHDSACASA-N 1 1 293.208 3.847 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1Cc2ccc(Br)cc2C1 ZINC001172494732 1132248993 /nfs/dbraw/zinc/24/89/93/1132248993.db2.gz XPIBNOOOGUZWDY-NSHDSACASA-N 1 1 293.208 3.847 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172500373 1132250238 /nfs/dbraw/zinc/25/02/38/1132250238.db2.gz NAKJASUUJJRXGJ-HKUYNNGSSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172500373 1132250244 /nfs/dbraw/zinc/25/02/44/1132250244.db2.gz NAKJASUUJJRXGJ-HKUYNNGSSA-N 1 1 299.462 3.523 20 30 CHEDMO C#CC[N@H+]([C@@H](C)CCCC#N)[C@@H]1CCc2ccccc21 ZINC001172502029 1132251570 /nfs/dbraw/zinc/25/15/70/1132251570.db2.gz SODNSFJJHVXIJM-MAUKXSAKSA-N 1 1 266.388 3.691 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC12COC2 ZINC001172503785 1132252642 /nfs/dbraw/zinc/25/26/42/1132252642.db2.gz AXJNDVJUVVCDPH-OAHLLOKOSA-N 1 1 253.430 3.990 20 30 CHEDMO CCCCCCCC[C@H](CC)n1c(C)ncc(C[NH3+])c1=N ZINC001172504414 1132253599 /nfs/dbraw/zinc/25/35/99/1132253599.db2.gz YPCLNCRJECRVHP-INIZCTEOSA-N 1 1 292.471 3.831 20 30 CHEDMO CCCCCCCC[C@H](CC)[NH2+]Cc1ncon1 ZINC001172506245 1132254116 /nfs/dbraw/zinc/25/41/16/1132254116.db2.gz QMFWBSXBOSCDPU-ZDUSSCGKSA-N 1 1 253.390 3.688 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@@H+]1CCc2nncn2CC1 ZINC001172505539 1132254210 /nfs/dbraw/zinc/25/42/10/1132254210.db2.gz OTSFERNBBVIFHZ-MRXNPFEDSA-N 1 1 292.471 3.665 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001172504975 1132254269 /nfs/dbraw/zinc/25/42/69/1132254269.db2.gz IMYZLKFCIVQKBW-JKSUJKDBSA-N 1 1 282.472 3.713 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001172504974 1132254386 /nfs/dbraw/zinc/25/43/86/1132254386.db2.gz IMYZLKFCIVQKBW-HZPDHXFCSA-N 1 1 282.472 3.713 20 30 CHEDMO COc1cccc([C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172510252 1132256946 /nfs/dbraw/zinc/25/69/46/1132256946.db2.gz YMHBCLRYQBIOKC-NVXWUHKLSA-N 1 1 286.419 3.957 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+](CC)CCC(N)=O ZINC001172510493 1132257401 /nfs/dbraw/zinc/25/74/01/1132257401.db2.gz DCBUMCFYPIMERL-OAHLLOKOSA-N 1 1 270.461 3.713 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)CCC(=O)NC ZINC001172510555 1132257835 /nfs/dbraw/zinc/25/78/35/1132257835.db2.gz FLTAFZKUOSXAHJ-OAHLLOKOSA-N 1 1 270.461 3.584 20 30 CHEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@H](C)CCCC#N ZINC001172508655 1132257805 /nfs/dbraw/zinc/25/78/05/1132257805.db2.gz DYZOIITZMMAIOT-OAHLLOKOSA-N 1 1 274.408 3.642 20 30 CHEDMO O=C1C=C2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172555573 1132267210 /nfs/dbraw/zinc/26/72/10/1132267210.db2.gz ARTOOBHRKZFITQ-DJIMGWMZSA-N 1 1 299.439 3.597 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)c(SC)n1)[C@H](C)CC ZINC001141929042 1132269726 /nfs/dbraw/zinc/26/97/26/1132269726.db2.gz JHHMPWYXHLQTLK-GFCCVEGCSA-N 1 1 277.437 3.686 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565268 1132270603 /nfs/dbraw/zinc/27/06/03/1132270603.db2.gz UXFIPZSMSPBEIS-SJORKVTESA-N 1 1 256.393 3.948 20 30 CHEDMO C(#Cc1ccccc1)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC001141972377 1132279553 /nfs/dbraw/zinc/27/95/53/1132279553.db2.gz IYFYRLDMRXNTLT-IYBDPMFKSA-N 1 1 279.408 3.600 20 30 CHEDMO F[C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972880 1132279613 /nfs/dbraw/zinc/27/96/13/1132279613.db2.gz UEBGSKFUAKLEJM-OAHLLOKOSA-N 1 1 285.387 3.692 20 30 CHEDMO F[C@@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141972880 1132279618 /nfs/dbraw/zinc/27/96/18/1132279618.db2.gz UEBGSKFUAKLEJM-OAHLLOKOSA-N 1 1 285.387 3.692 20 30 CHEDMO CC[N@H+](CCC#N)Cc1c(C)c(C)c(C)c(C)c1C ZINC001231493660 1132305034 /nfs/dbraw/zinc/30/50/34/1132305034.db2.gz NTEWEPLNRHAHNA-UHFFFAOYSA-N 1 1 258.409 3.964 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1c(C)c(C)c(C)c(C)c1C ZINC001231493660 1132305036 /nfs/dbraw/zinc/30/50/36/1132305036.db2.gz NTEWEPLNRHAHNA-UHFFFAOYSA-N 1 1 258.409 3.964 20 30 CHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC(C)(C)C1 ZINC000840970688 1132315475 /nfs/dbraw/zinc/31/54/75/1132315475.db2.gz CJKQYMAPFDANGT-AWEZNQCLSA-N 1 1 286.419 3.988 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC001231621195 1132325724 /nfs/dbraw/zinc/32/57/24/1132325724.db2.gz SMEVKSHZOYTFPU-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC001231621195 1132325731 /nfs/dbraw/zinc/32/57/31/1132325731.db2.gz SMEVKSHZOYTFPU-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c1 ZINC001231624048 1132328120 /nfs/dbraw/zinc/32/81/20/1132328120.db2.gz DXBHEEYUWZEVTI-LSDHHAIUSA-N 1 1 259.393 3.872 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172867843 1132332979 /nfs/dbraw/zinc/33/29/79/1132332979.db2.gz AONXIGWIDXPCIJ-CHWSQXEVSA-N 1 1 279.786 3.755 20 30 CHEDMO C#Cc1cccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c1 ZINC001231660461 1132340023 /nfs/dbraw/zinc/34/00/23/1132340023.db2.gz GZSDRYAIFFQOPO-INIZCTEOSA-N 1 1 293.410 3.740 20 30 CHEDMO C#Cc1cccc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001231663842 1132342568 /nfs/dbraw/zinc/34/25/68/1132342568.db2.gz SUEGKEHDNCHQGQ-PMACEKPBSA-N 1 1 296.458 3.507 20 30 CHEDMO C#Cc1cccc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001231663842 1132342574 /nfs/dbraw/zinc/34/25/74/1132342574.db2.gz SUEGKEHDNCHQGQ-PMACEKPBSA-N 1 1 296.458 3.507 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc2cc[nH]c2cn1 ZINC001231668448 1132342853 /nfs/dbraw/zinc/34/28/53/1132342853.db2.gz VARWXOBHSZTQKE-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO C=CC[N@@H+](Cc1cc2cc[nH]c2cn1)C1CCCCC1 ZINC001231672559 1132344103 /nfs/dbraw/zinc/34/41/03/1132344103.db2.gz IBWJMPCVQDJXAT-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC001231820839 1132372119 /nfs/dbraw/zinc/37/21/19/1132372119.db2.gz XJMTXJJBRYSRGR-UHFFFAOYSA-N 1 1 283.419 3.555 20 30 CHEDMO C=C(C)C[N@H+](CC)C1CCC2(CCOCC2)CC1 ZINC001173047643 1132381147 /nfs/dbraw/zinc/38/11/47/1132381147.db2.gz BPYANCNFRJAPPV-UHFFFAOYSA-N 1 1 251.414 3.624 20 30 CHEDMO N#CC1CC[NH+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001231871958 1132384237 /nfs/dbraw/zinc/38/42/37/1132384237.db2.gz SHNCDZNZOKTUEP-UHFFFAOYSA-N 1 1 299.418 3.529 20 30 CHEDMO C=CC[N@H+](Cc1c[nH]c2c1cccc2OC)C(C)(C)C ZINC001231898206 1132395933 /nfs/dbraw/zinc/39/59/33/1132395933.db2.gz ZZCWTFLGTIFNDG-UHFFFAOYSA-N 1 1 272.392 3.963 20 30 CHEDMO C=CC[N@@H+](Cc1cccc2c[nH]nc21)C1CCCCC1 ZINC001231975867 1132405470 /nfs/dbraw/zinc/40/54/70/1132405470.db2.gz VSTOVRLUTYMGNU-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C#C[C@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173203094 1132409539 /nfs/dbraw/zinc/40/95/39/1132409539.db2.gz IIUQGMSOSBRQAE-MUYFXNHWSA-N 1 1 283.415 3.722 20 30 CHEDMO C=CCCCC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230767 1132413867 /nfs/dbraw/zinc/41/38/67/1132413867.db2.gz FNZTVGKEIHVHCX-CQSZACIVSA-N 1 1 276.380 3.814 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1Cl ZINC001232115050 1132423257 /nfs/dbraw/zinc/42/32/57/1132423257.db2.gz DNZQYIJLQOLMEW-INIZCTEOSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1Cl ZINC001232111729 1132423472 /nfs/dbraw/zinc/42/34/72/1132423472.db2.gz GYNHTSLUGKMALE-OLZOCXBDSA-N 1 1 296.748 3.689 20 30 CHEDMO C=C[C@@H]1C[C@]1([NH2+][C@H](CCCC)CC(C)C)C(=O)OCC ZINC001173254415 1132423823 /nfs/dbraw/zinc/42/38/23/1132423823.db2.gz WWZGJOHQYFIQHQ-BFYDXBDKSA-N 1 1 281.440 3.689 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232112541 1132424342 /nfs/dbraw/zinc/42/43/42/1132424342.db2.gz XMMFCXRAWXSFLE-GASCZTMLSA-N 1 1 274.795 3.834 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cs1 ZINC001232280155 1132449057 /nfs/dbraw/zinc/44/90/57/1132449057.db2.gz DTZMXJLKDFARAL-WLLOZRIZSA-N 1 1 266.797 3.668 20 30 CHEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@H]1CCOC1=O ZINC001173309913 1132449664 /nfs/dbraw/zinc/44/96/64/1132449664.db2.gz UJXTUIHKZLQDTC-CABCVRRESA-N 1 1 269.429 3.811 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001142844218 1132459833 /nfs/dbraw/zinc/45/98/33/1132459833.db2.gz LVLVXZSOGWLMGG-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C=CCOC1CCC([N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001173326907 1132461475 /nfs/dbraw/zinc/46/14/75/1132461475.db2.gz 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CC1(C#N)CCC([N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001173596942 1132498041 /nfs/dbraw/zinc/49/80/41/1132498041.db2.gz BTKAPDVZBHRNGB-OWYJLGKBSA-N 1 1 275.421 3.752 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001173596766 1132498427 /nfs/dbraw/zinc/49/84/27/1132498427.db2.gz BVHWAQDBPKZRIH-KLHKWILBSA-N 1 1 283.419 3.733 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001173596411 1132498477 /nfs/dbraw/zinc/49/84/77/1132498477.db2.gz VYRUOXOUMXXCHJ-ARWYELJZSA-N 1 1 269.392 3.691 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001173596054 1132498526 /nfs/dbraw/zinc/49/85/26/1132498526.db2.gz HZERFVZWZPZCHO-JLAWEPINSA-N 1 1 298.430 3.750 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001173596055 1132498996 /nfs/dbraw/zinc/49/89/96/1132498996.db2.gz HZERFVZWZPZCHO-XBMUEBEBSA-N 1 1 298.430 3.750 20 30 CHEDMO CC1(C#N)CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001173600269 1132499920 /nfs/dbraw/zinc/49/99/20/1132499920.db2.gz XQCGBMWJPHZLDF-UHFFFAOYSA-N 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CCCCC[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232892450 1132536940 /nfs/dbraw/zinc/53/69/40/1132536940.db2.gz KXQCYELCUZBANN-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cccc(C#N)n1 ZINC001232926382 1132545052 /nfs/dbraw/zinc/54/50/52/1132545052.db2.gz LXBWQVVSMSFFOB-UHFFFAOYSA-N 1 1 279.387 3.592 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1 ZINC001232966171 1132549693 /nfs/dbraw/zinc/54/96/93/1132549693.db2.gz NDBVDYDSDSKYCG-AWEZNQCLSA-N 1 1 282.309 3.641 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1 ZINC001232966171 1132549698 /nfs/dbraw/zinc/54/96/98/1132549698.db2.gz NDBVDYDSDSKYCG-AWEZNQCLSA-N 1 1 282.309 3.641 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(C#N)c1 ZINC001232965963 1132550558 /nfs/dbraw/zinc/55/05/58/1132550558.db2.gz CEJIHHXNUJVWRF-UHFFFAOYSA-N 1 1 254.377 3.633 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(C#N)c1 ZINC001232961882 1132551035 /nfs/dbraw/zinc/55/10/35/1132551035.db2.gz HZGHDEAFWGCFMS-GOSISDBHSA-N 1 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IHIQMMBBGJNITK-OAHLLOKOSA-N 1 1 276.383 3.814 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(C#N)c1 ZINC001232967841 1132554188 /nfs/dbraw/zinc/55/41/88/1132554188.db2.gz YHJMLSVOLQCQKU-QGZVFWFLSA-N 1 1 294.373 3.995 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233013812 1132563243 /nfs/dbraw/zinc/56/32/43/1132563243.db2.gz UFMNDPODESWGRA-UHFFFAOYSA-N 1 1 281.396 3.596 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C ZINC001233082747 1132572057 /nfs/dbraw/zinc/57/20/57/1132572057.db2.gz WNIMCKJANKFZNS-UHFFFAOYSA-N 1 1 293.414 3.716 20 30 CHEDMO C[N@H+]1CCc2c(C#N)c(NC=Cc3ccccc3)sc2C1 ZINC001173870666 1132573851 /nfs/dbraw/zinc/57/38/51/1132573851.db2.gz VQEDWVMCAMVUDW-VQHVLOKHSA-N 1 1 295.411 3.690 20 30 CHEDMO C#CC[N@H+](Cc1cnc(C)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001233162182 1132575064 /nfs/dbraw/zinc/57/50/64/1132575064.db2.gz VWFBQLCTJHHASP-HXUWFJFHSA-N 1 1 290.410 3.821 20 30 CHEDMO C=CC[N@H+](Cc1ccc(/C=C/C(=O)OC)cc1)C(C)(C)C ZINC001233300466 1132597196 /nfs/dbraw/zinc/59/71/96/1132597196.db2.gz QQALQKWMDYWNIJ-VAWYXSNFSA-N 1 1 287.403 3.659 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c([O-])c1 ZINC001233387082 1132613415 /nfs/dbraw/zinc/61/34/15/1132613415.db2.gz UGUKZKJUNZHSDA-QGZVFWFLSA-N 1 1 284.403 3.809 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(O)c1 ZINC001233387082 1132613421 /nfs/dbraw/zinc/61/34/21/1132613421.db2.gz UGUKZKJUNZHSDA-QGZVFWFLSA-N 1 1 284.403 3.809 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c(O)c1 ZINC001233387082 1132613424 /nfs/dbraw/zinc/61/34/24/1132613424.db2.gz UGUKZKJUNZHSDA-QGZVFWFLSA-N 1 1 284.403 3.809 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c[nH]c(Br)c1 ZINC001233438571 1132622817 /nfs/dbraw/zinc/62/28/17/1132622817.db2.gz WTYJRXJJQNZDDC-UHFFFAOYSA-N 1 1 271.202 3.565 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cncc(Cl)n1 ZINC001233448982 1132626117 /nfs/dbraw/zinc/62/61/17/1132626117.db2.gz LPAWBIPYTNQLMD-UHFFFAOYSA-N 1 1 269.820 3.922 20 30 CHEDMO C[N@H+]1CCC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512191 1132630593 /nfs/dbraw/zinc/63/05/93/1132630593.db2.gz LORPPUPMUKXTRG-IBGZPJMESA-N 1 1 292.382 3.698 20 30 CHEDMO C#CCCCNc1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001155021534 1132636703 /nfs/dbraw/zinc/63/67/03/1132636703.db2.gz YJHLCRVZMWAYCI-QGZVFWFLSA-N 1 1 285.435 3.844 20 30 CHEDMO N#Cc1cc(Cl)cc(Nc2cc[nH+]c3ccccc23)c1 ZINC001174040015 1132704166 /nfs/dbraw/zinc/70/41/66/1132704166.db2.gz NFTGUYAFONDYQB-UHFFFAOYSA-N 1 1 279.730 3.925 20 30 CHEDMO Cc1nc2cc(CNc3ccc(CC#N)c(C)[nH+]3)ccc2o1 ZINC001156933418 1132716877 /nfs/dbraw/zinc/71/68/77/1132716877.db2.gz ARNBMDJFCXEJEL-UHFFFAOYSA-N 1 1 292.342 3.518 20 30 CHEDMO C=C(C)C(=O)OCCNc1cc(C)c2ccc(C)c(C)c2[nH+]1 ZINC001157308083 1132726390 /nfs/dbraw/zinc/72/63/90/1132726390.db2.gz CQTWHEWWYAJWEI-UHFFFAOYSA-N 1 1 298.386 3.691 20 30 CHEDMO N#Cc1c(Nc2ccc3[nH+]ccn3c2)sc2c1CCCC2 ZINC001174276340 1132784995 /nfs/dbraw/zinc/78/49/95/1132784995.db2.gz XEPVMLPWYQGXCI-UHFFFAOYSA-N 1 1 294.383 3.890 20 30 CHEDMO COc1ccc2cc[nH+]c(NCC#CC(C)(C)C)c2c1 ZINC001160393877 1132969250 /nfs/dbraw/zinc/96/92/50/1132969250.db2.gz YLTJRHZRLXCUJS-UHFFFAOYSA-N 1 1 268.360 3.705 20 30 CHEDMO Cc1noc2ccc(CNc3[nH+]c(C)ccc3CC#N)cc12 ZINC001160868098 1132986098 /nfs/dbraw/zinc/98/60/98/1132986098.db2.gz QNZOHIVJKQCKAV-UHFFFAOYSA-N 1 1 292.342 3.518 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2cccc(C)c2n1 ZINC001160952102 1132987624 /nfs/dbraw/zinc/98/76/24/1132987624.db2.gz QRFFYISNQWWQHP-INIZCTEOSA-N 1 1 281.403 3.606 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc(Cl)cc1SC ZINC001160953986 1132989274 /nfs/dbraw/zinc/98/92/74/1132989274.db2.gz NAYONOPPMRJBKM-LBPRGKRZSA-N 1 1 297.855 3.519 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250758881 1133094043 /nfs/dbraw/zinc/09/40/43/1133094043.db2.gz SMJDIZIHJATMHU-CVEARBPZSA-N 1 1 272.367 3.709 20 30 CHEDMO CC(C)(C)C(=[NH2+])Nc1ncc(C#N)c2ccccc12 ZINC001162657739 1133101587 /nfs/dbraw/zinc/10/15/87/1133101587.db2.gz PKRNVNCNVXJUBD-UHFFFAOYSA-N 1 1 252.321 3.542 20 30 CHEDMO C=C(C)CNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001163374065 1133146139 /nfs/dbraw/zinc/14/61/39/1133146139.db2.gz IEYCVLFAJNYCSB-UHFFFAOYSA-N 1 1 293.414 3.628 20 30 CHEDMO CC(C)(Nc1cc(Cl)cc(N)[nH+]1)c1ccc(C#N)cc1 ZINC001165735219 1133249116 /nfs/dbraw/zinc/24/91/16/1133249116.db2.gz YOJHRHSOMRKNAS-UHFFFAOYSA-N 1 1 286.766 3.536 20 30 CHEDMO Cc1cc(SCC[C@@H]2CCCC[N@@H+]2C)ccc1C#N ZINC001166394047 1133264507 /nfs/dbraw/zinc/26/45/07/1133264507.db2.gz ZZVXWMUXTLPQCW-HNNXBMFYSA-N 1 1 274.433 3.833 20 30 CHEDMO Cc1[nH+]c2ccccn2c1NC=Cc1ccc(C#N)cc1 ZINC001203299130 1133311437 /nfs/dbraw/zinc/31/14/37/1133311437.db2.gz XKXHQPKWYNCTJK-MDZDMXLPSA-N 1 1 274.327 3.597 20 30 CHEDMO Cn1c[nH+]c2cc(NC=Cc3ccc(C#N)cc3)ccc21 ZINC001203305627 1133312992 /nfs/dbraw/zinc/31/29/92/1133312992.db2.gz MAEHXWPILMNCOB-CMDGGOBGSA-N 1 1 274.327 3.528 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001203392741 1133321566 /nfs/dbraw/zinc/32/15/66/1133321566.db2.gz MSLDDVXCUORVAL-LLVKDONJSA-N 1 1 268.187 3.839 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001203392741 1133321572 /nfs/dbraw/zinc/32/15/72/1133321572.db2.gz MSLDDVXCUORVAL-LLVKDONJSA-N 1 1 268.187 3.839 20 30 CHEDMO C[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC001203522143 1133335317 /nfs/dbraw/zinc/33/53/17/1133335317.db2.gz OMTXEOYHWTZAGT-LLVKDONJSA-N 1 1 274.364 3.946 20 30 CHEDMO C=CC[N@H+](Cc1cccc(OC)c1O)C1CCCCC1 ZINC001203601806 1133343447 /nfs/dbraw/zinc/34/34/47/1133343447.db2.gz LPGLZKXHBJVYNS-UHFFFAOYSA-N 1 1 275.392 3.722 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001203764496 1133367496 /nfs/dbraw/zinc/36/74/96/1133367496.db2.gz QXQCNYLVSQBDCC-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001203764496 1133367502 /nfs/dbraw/zinc/36/75/02/1133367502.db2.gz QXQCNYLVSQBDCC-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO C#CC[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC001203816175 1133374760 /nfs/dbraw/zinc/37/47/60/1133374760.db2.gz ZZTCCJFRHVUWHI-UHFFFAOYSA-N 1 1 251.329 3.544 20 30 CHEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC001203906650 1133382481 /nfs/dbraw/zinc/38/24/81/1133382481.db2.gz QWKLLVFOWBAFHJ-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001203903641 1133382850 /nfs/dbraw/zinc/38/28/50/1133382850.db2.gz KLAHZRJJOZBFNT-UHFFFAOYSA-N 1 1 280.415 3.959 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001204283816 1133428365 /nfs/dbraw/zinc/42/83/65/1133428365.db2.gz DQCXQRJOMYPIIT-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001204283816 1133428371 /nfs/dbraw/zinc/42/83/71/1133428371.db2.gz DQCXQRJOMYPIIT-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H](C)C2)cc1 ZINC001204297179 1133431053 /nfs/dbraw/zinc/43/10/53/1133431053.db2.gz FMVZASIYUATSBW-HNNXBMFYSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC001204299960 1133432027 /nfs/dbraw/zinc/43/20/27/1133432027.db2.gz GLFSCDUBPNNXPO-UHFFFAOYSA-N 1 1 297.398 3.762 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001204299933 1133432721 /nfs/dbraw/zinc/43/27/21/1133432721.db2.gz FKDCPEGLGDGZHF-GOSISDBHSA-N 1 1 294.398 3.636 20 30 CHEDMO Cc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1C ZINC001204354718 1133440077 /nfs/dbraw/zinc/44/00/77/1133440077.db2.gz MBPXHWIGJMMQOY-UHFFFAOYSA-N 1 1 256.393 3.962 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001204415034 1133445038 /nfs/dbraw/zinc/44/50/38/1133445038.db2.gz IGZDWBQJSIZIGZ-GFCCVEGCSA-N 1 1 298.308 3.711 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC001204433193 1133445263 /nfs/dbraw/zinc/44/52/63/1133445263.db2.gz YDNQWVKPQUAMEA-UHFFFAOYSA-N 1 1 286.297 3.711 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC001204433193 1133445269 /nfs/dbraw/zinc/44/52/69/1133445269.db2.gz YDNQWVKPQUAMEA-UHFFFAOYSA-N 1 1 286.297 3.711 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccccc1OC(F)(F)F ZINC001204426522 1133445784 /nfs/dbraw/zinc/44/57/84/1133445784.db2.gz VIGZEKCZTKJHJT-UHFFFAOYSA-N 1 1 271.282 3.759 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)cc1 ZINC001204915447 1133499229 /nfs/dbraw/zinc/49/92/29/1133499229.db2.gz KOSPDIJUKNSPSQ-LJQANCHMSA-N 1 1 275.395 3.966 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001205340014 1133565014 /nfs/dbraw/zinc/56/50/14/1133565014.db2.gz XPRNHNQPIRJQAY-JTQLQIEISA-N 1 1 254.786 3.527 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001205340014 1133565018 /nfs/dbraw/zinc/56/50/18/1133565018.db2.gz XPRNHNQPIRJQAY-JTQLQIEISA-N 1 1 254.786 3.527 20 30 CHEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC001205496888 1133582907 /nfs/dbraw/zinc/58/29/07/1133582907.db2.gz XPGRLUAIZNFWIM-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC001205496888 1133582912 /nfs/dbraw/zinc/58/29/12/1133582912.db2.gz XPGRLUAIZNFWIM-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]1CCCC)C(=O)OCC ZINC001205838665 1133621221 /nfs/dbraw/zinc/62/12/21/1133621221.db2.gz BHMBFBJNFCGULD-JYJNAYRXSA-N 1 1 281.440 3.833 20 30 CHEDMO C=CCC[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001205850173 1133622448 /nfs/dbraw/zinc/62/24/48/1133622448.db2.gz YNQJLHHVBRRTLW-INIZCTEOSA-N 1 1 293.451 3.977 20 30 CHEDMO Cc1cccc(C[N@@H+](C)CC#Cc2ccccc2)c1C ZINC001205973662 1133635992 /nfs/dbraw/zinc/63/59/92/1133635992.db2.gz CTDHDQUCAYNXLE-UHFFFAOYSA-N 1 1 263.384 3.787 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001206028739 1133644204 /nfs/dbraw/zinc/64/42/04/1133644204.db2.gz ZLSQZOYTWHMWTF-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001206028739 1133644208 /nfs/dbraw/zinc/64/42/08/1133644208.db2.gz ZLSQZOYTWHMWTF-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001206409165 1133699324 /nfs/dbraw/zinc/69/93/24/1133699324.db2.gz JSMPGLYUTGCDEA-LLVKDONJSA-N 1 1 283.749 3.854 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001206409165 1133699327 /nfs/dbraw/zinc/69/93/27/1133699327.db2.gz JSMPGLYUTGCDEA-LLVKDONJSA-N 1 1 283.749 3.854 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC001206408679 1133699590 /nfs/dbraw/zinc/69/95/90/1133699590.db2.gz FPSGELBETGPJJG-CYBMUJFWSA-N 1 1 292.220 3.684 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC001206429571 1133702263 /nfs/dbraw/zinc/70/22/63/1133702263.db2.gz FYWLITZSBCKYKX-UONOGXRCSA-N 1 1 269.429 3.831 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C3CCC3)C2)cs1 ZINC001206715828 1133735239 /nfs/dbraw/zinc/73/52/39/1133735239.db2.gz YJTSBBXWDZIWLF-CQSZACIVSA-N 1 1 260.406 3.632 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC001206801171 1133750068 /nfs/dbraw/zinc/75/00/68/1133750068.db2.gz SWALFQKZMLFARV-HNNXBMFYSA-N 1 1 266.388 3.941 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC001206800222 1133750084 /nfs/dbraw/zinc/75/00/84/1133750084.db2.gz IZSVNIJQUOCMFZ-MRXNPFEDSA-N 1 1 281.403 3.579 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncc(F)c1 ZINC001207024367 1133760449 /nfs/dbraw/zinc/76/04/49/1133760449.db2.gz PUEZHXRHQBJUDK-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207194930 1133778877 /nfs/dbraw/zinc/77/88/77/1133778877.db2.gz DAPLWIMJRHFMDE-NUEKZKHPSA-N 1 1 274.795 3.679 20 30 CHEDMO CC1=CC[C@H](CC[N@H+]2CCC[C@H](CC#N)C2)C1(C)C ZINC001207279151 1133786749 /nfs/dbraw/zinc/78/67/49/1133786749.db2.gz LMMNNHCLKBNDMS-HZPDHXFCSA-N 1 1 260.425 3.995 20 30 CHEDMO CC[N@@H+](CCC#N)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207406804 1133797479 /nfs/dbraw/zinc/79/74/79/1133797479.db2.gz KGLKZVJFZVLSMI-KRWDZBQOSA-N 1 1 292.467 3.890 20 30 CHEDMO CCC[N@H+](CCC#N)CCc1ccccc1Br ZINC001207531582 1133817010 /nfs/dbraw/zinc/81/70/10/1133817010.db2.gz YQWMSUHVPIWNMR-UHFFFAOYSA-N 1 1 295.224 3.617 20 30 CHEDMO CCC[N@@H+](CCC#N)CCc1ccccc1Br ZINC001207531582 1133817017 /nfs/dbraw/zinc/81/70/17/1133817017.db2.gz YQWMSUHVPIWNMR-UHFFFAOYSA-N 1 1 295.224 3.617 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001207616496 1133832567 /nfs/dbraw/zinc/83/25/67/1133832567.db2.gz AFAJCRMEOMQWBY-QGZVFWFLSA-N 1 1 256.393 3.635 20 30 CHEDMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@H](C#N)CC1 ZINC001207678864 1133837392 /nfs/dbraw/zinc/83/73/92/1133837392.db2.gz SKSORXIHJLOKSM-JKSUJKDBSA-N 1 1 280.456 3.579 20 30 CHEDMO C#CC[N@@H+](Cc1cccc(CC2CCC2)c1)C(C)C ZINC001207716169 1133841646 /nfs/dbraw/zinc/84/16/46/1133841646.db2.gz UYGONIKYDRBGKH-UHFFFAOYSA-N 1 1 255.405 3.873 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)CC1CCSCC1 ZINC001207755431 1133845006 /nfs/dbraw/zinc/84/50/06/1133845006.db2.gz NOWBNZJJTIXAKA-UHFFFAOYSA-N 1 1 261.434 3.818 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845775 1133854098 /nfs/dbraw/zinc/85/40/98/1133854098.db2.gz NIHHTJDGNXHXDN-CQSZACIVSA-N 1 1 296.336 3.874 20 30 CHEDMO N#C[C@H]1CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845775 1133854106 /nfs/dbraw/zinc/85/41/06/1133854106.db2.gz NIHHTJDGNXHXDN-CQSZACIVSA-N 1 1 296.336 3.874 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@H](CO)C1 ZINC001207896150 1133857764 /nfs/dbraw/zinc/85/77/64/1133857764.db2.gz KDQHRJPRXBHOIO-KRWDZBQOSA-N 1 1 267.457 3.998 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001207899497 1133859465 /nfs/dbraw/zinc/85/94/65/1133859465.db2.gz CINLQPLTFMDUGM-ZWKOTPCHSA-N 1 1 278.484 3.929 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](O)C[C@H]1C ZINC001208118981 1133879892 /nfs/dbraw/zinc/87/98/92/1133879892.db2.gz UTCBXBYCFMVRQE-MTQIJDFFSA-N 1 1 253.430 3.748 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001208120213 1133880574 /nfs/dbraw/zinc/88/05/74/1133880574.db2.gz OCJFCVRBAUBWFR-MTQIJDFFSA-N 1 1 253.430 3.606 20 30 CHEDMO CCCCCCC/C=C/CN1CC[N@@H+](CC)[C@H](C)C1 ZINC001208124624 1133881708 /nfs/dbraw/zinc/88/17/08/1133881708.db2.gz WNEIXQLXAAJXSA-FMQWLBJXSA-N 1 1 266.473 3.929 20 30 CHEDMO Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC001208154755 1133889557 /nfs/dbraw/zinc/88/95/57/1133889557.db2.gz HSIYZOVLPGLDST-HIFRSBDPSA-N 1 1 260.381 3.707 20 30 CHEDMO Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H](C#N)CC2)o1 ZINC001208158008 1133891611 /nfs/dbraw/zinc/89/16/11/1133891611.db2.gz UQUQGTLVRDZOOG-UKRRQHHQSA-N 1 1 260.381 3.707 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1 ZINC001208170970 1133895217 /nfs/dbraw/zinc/89/52/17/1133895217.db2.gz OMQZWNCMTUICPZ-KURKYZTESA-N 1 1 275.436 3.790 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CCCCO3)CC1 ZINC001208171425 1133896642 /nfs/dbraw/zinc/89/66/42/1133896642.db2.gz SSLCVXJJNXOPAH-MRXNPFEDSA-N 1 1 261.409 3.544 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](CCC(=O)OC)C2)CC1 ZINC001208178556 1133898315 /nfs/dbraw/zinc/89/83/15/1133898315.db2.gz RBFZAUUMBWVREZ-IAGOWNOFSA-N 1 1 291.435 3.564 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001208178379 1133899148 /nfs/dbraw/zinc/89/91/48/1133899148.db2.gz BASSDJWOMVKVAO-IAGOWNOFSA-N 1 1 283.419 3.916 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001208178379 1133899151 /nfs/dbraw/zinc/89/91/51/1133899151.db2.gz BASSDJWOMVKVAO-IAGOWNOFSA-N 1 1 283.419 3.916 20 30 CHEDMO CC1=C[C@H](C)[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001208179952 1133900839 /nfs/dbraw/zinc/90/08/39/1133900839.db2.gz CNXPOMXFCZDCLN-ZOFXXKQRSA-N 1 1 258.409 3.745 20 30 CHEDMO C=CCCCC[N@H+](C)CCN(CC)C(=O)OC(C)(C)C ZINC001208578099 1133916307 /nfs/dbraw/zinc/91/63/07/1133916307.db2.gz JXZGGIAIUVZDPW-UHFFFAOYSA-N 1 1 284.444 3.532 20 30 CHEDMO CCCCN(CC#N)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208591390 1133919861 /nfs/dbraw/zinc/91/98/61/1133919861.db2.gz JUFWAWOWABSUGW-LJQANCHMSA-N 1 1 299.462 3.667 20 30 CHEDMO CC(C)(CC[N@H+]1CCC[C@@H](C#N)CC1)c1ccccc1 ZINC001208665236 1133924316 /nfs/dbraw/zinc/92/43/16/1133924316.db2.gz DTVRSRBPVCBSNN-MRXNPFEDSA-N 1 1 270.420 3.980 20 30 CHEDMO 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N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000347437228 226156319 /nfs/dbraw/zinc/15/63/19/226156319.db2.gz LCWJWKLFBYROBN-OTWHNJEPSA-N 1 1 298.430 3.717 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@H]3CCCCO3)CC2)cc1 ZINC000347565518 226194400 /nfs/dbraw/zinc/19/44/00/226194400.db2.gz HZLHMKUOJSNIEJ-LJQANCHMSA-N 1 1 296.414 3.607 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000336630915 227222146 /nfs/dbraw/zinc/22/21/46/227222146.db2.gz QTTYNQBWYYMNCS-GUYCJALGSA-N 1 1 270.351 3.607 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](CCCSCC#N)C1CC1 ZINC000352828441 227304774 /nfs/dbraw/zinc/30/47/74/227304774.db2.gz DJXMETXJVPATSF-CQSZACIVSA-N 1 1 274.433 3.859 20 30 CHEDMO Cn1c[nH+]c2cc(N[C@@H]3CCc4ccc(C#N)cc43)ccc21 ZINC000353656883 228140806 /nfs/dbraw/zinc/14/08/06/228140806.db2.gz KFFCMGRIYHXMQS-MRXNPFEDSA-N 1 1 288.354 3.544 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000353843616 228158260 /nfs/dbraw/zinc/15/82/60/228158260.db2.gz IZCXBLOEOSLDGV-DZGCQCFKSA-N 1 1 260.406 3.774 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CCC3)C2)C1 ZINC000336131097 228193474 /nfs/dbraw/zinc/19/34/74/228193474.db2.gz VLJSNOCTFOTOCR-GDBMZVCRSA-N 1 1 266.388 3.616 20 30 CHEDMO CC[C@H](C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000179695215 260064543 /nfs/dbraw/zinc/06/45/43/260064543.db2.gz YUSJZKAZMHNDPE-AWEZNQCLSA-N 1 1 268.360 3.952 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1csc(Br)c1 ZINC000404202277 260068948 /nfs/dbraw/zinc/06/89/48/260068948.db2.gz KXNMDIVLQOWGEN-UHFFFAOYSA-N 1 1 274.227 3.909 20 30 CHEDMO Cc1csc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000080272924 260179757 /nfs/dbraw/zinc/17/97/57/260179757.db2.gz STYULAPMZVRIEW-RYUDHWBXSA-N 1 1 271.389 3.735 20 30 CHEDMO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000080274345 260179964 /nfs/dbraw/zinc/17/99/64/260179964.db2.gz OSZIVEHSKDQJFP-RYUDHWBXSA-N 1 1 271.389 3.735 20 30 CHEDMO COc1cc(C[NH2+]Cc2ccsc2Cl)ccc1C#N ZINC000312747139 260196248 /nfs/dbraw/zinc/19/62/48/260196248.db2.gz QENLRHFIPAOBRI-UHFFFAOYSA-N 1 1 292.791 3.572 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000054183894 260216916 /nfs/dbraw/zinc/21/69/16/260216916.db2.gz GZZYTRHCMZBWAS-GFCCVEGCSA-N 1 1 257.164 3.775 20 30 CHEDMO C=CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC1 ZINC000357553215 260230434 /nfs/dbraw/zinc/23/04/34/260230434.db2.gz OQXVTQUECVZVEP-UHFFFAOYSA-N 1 1 272.323 3.631 20 30 CHEDMO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000070870042 260270693 /nfs/dbraw/zinc/27/06/93/260270693.db2.gz XNQHXHLREOMIFU-CQSZACIVSA-N 1 1 295.386 3.871 20 30 CHEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000070870042 260270694 /nfs/dbraw/zinc/27/06/94/260270694.db2.gz XNQHXHLREOMIFU-CQSZACIVSA-N 1 1 295.386 3.871 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000363468736 260274955 /nfs/dbraw/zinc/27/49/55/260274955.db2.gz MHYIJVZUGHCXGN-IAGOWNOFSA-N 1 1 286.419 3.514 20 30 CHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCCCC#N)cc1 ZINC000075861716 260291996 /nfs/dbraw/zinc/29/19/96/260291996.db2.gz GKVCFFYYJVUNEO-UHFFFAOYSA-N 1 1 258.409 3.898 20 30 CHEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000080628755 260317231 /nfs/dbraw/zinc/31/72/31/260317231.db2.gz XFOHNDCCLGXEAN-QGZVFWFLSA-N 1 1 288.460 3.649 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000518372044 260386433 /nfs/dbraw/zinc/38/64/33/260386433.db2.gz IHQUHSWLNBHVRL-KBAYOESNSA-N 1 1 298.430 3.838 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cncc(F)c1 ZINC000090664668 260465262 /nfs/dbraw/zinc/46/52/62/260465262.db2.gz XBBPJIYIPVSUAJ-CXAGYDPISA-N 1 1 283.350 3.916 20 30 CHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)CCC#N ZINC000156851968 260809465 /nfs/dbraw/zinc/80/94/65/260809465.db2.gz ACQXMLAOKIORRD-UHFFFAOYSA-N 1 1 287.451 3.904 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428229455 260904386 /nfs/dbraw/zinc/90/43/86/260904386.db2.gz FTFYSOJQVVDNKG-CHWSQXEVSA-N 1 1 260.356 3.708 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000155083461 261098036 /nfs/dbraw/zinc/09/80/36/261098036.db2.gz ULNYFPQAFLSFSD-INIZCTEOSA-N 1 1 256.393 3.806 20 30 CHEDMO CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000448381894 261137171 /nfs/dbraw/zinc/13/71/71/261137171.db2.gz LPENAFKYVZNLDR-UHFFFAOYSA-N 1 1 261.796 3.814 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCc2ccccn2)CCCC1(C)C ZINC000444782834 261178696 /nfs/dbraw/zinc/17/86/96/261178696.db2.gz RIZYWTJNBQGHIN-INIZCTEOSA-N 1 1 258.409 3.691 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)ccc1C#N ZINC000300196271 261182293 /nfs/dbraw/zinc/18/22/93/261182293.db2.gz HNSKTZGLXQHWML-XJKSGUPXSA-N 1 1 272.392 3.577 20 30 CHEDMO C=CCC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccco1 ZINC000514083485 261282577 /nfs/dbraw/zinc/28/25/77/261282577.db2.gz LLKDDELMTFCYOM-OAHLLOKOSA-N 1 1 276.424 3.751 20 30 CHEDMO C[C@H]1C[C@H](Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000301641448 261338591 /nfs/dbraw/zinc/33/85/91/261338591.db2.gz YZWPDTMMEHBDIU-KXBFYZLASA-N 1 1 291.398 3.633 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(OCCCC)c(OC)c1 ZINC000497201712 262104083 /nfs/dbraw/zinc/10/40/83/262104083.db2.gz WOWNHWZHFQFWKY-UHFFFAOYSA-N 1 1 277.408 3.882 20 30 CHEDMO C[C@H](C[N@H+](C)[C@@H](C)CC#N)c1cccc(Cl)c1 ZINC000187181091 262127433 /nfs/dbraw/zinc/12/74/33/262127433.db2.gz SGQZTTWEFGDZIR-NEPJUHHUSA-N 1 1 250.773 3.677 20 30 CHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000191038927 262188519 /nfs/dbraw/zinc/18/85/19/262188519.db2.gz DYDJHOWAHTUCMA-FUHWJXTLSA-N 1 1 283.419 3.790 20 30 CHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000191038927 262188520 /nfs/dbraw/zinc/18/85/20/262188520.db2.gz DYDJHOWAHTUCMA-FUHWJXTLSA-N 1 1 283.419 3.790 20 30 CHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191807588 262195487 /nfs/dbraw/zinc/19/54/87/262195487.db2.gz GKTPDGVTBWGZFQ-PHIMTYICSA-N 1 1 293.208 3.694 20 30 CHEDMO CC(C)c1cccc2c1CC[N@@H+](CCCCC#N)C2 ZINC000191894134 262196445 /nfs/dbraw/zinc/19/64/45/262196445.db2.gz UTRQXOLFELTBRQ-UHFFFAOYSA-N 1 1 256.393 3.862 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000364357259 262215150 /nfs/dbraw/zinc/21/51/50/262215150.db2.gz UUTQGAJLCKSLSJ-KRWDZBQOSA-N 1 1 285.435 3.893 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000161522347 262316761 /nfs/dbraw/zinc/31/67/61/262316761.db2.gz LWMNLGUTWBORRH-CYBMUJFWSA-N 1 1 286.350 3.636 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000228719671 262343385 /nfs/dbraw/zinc/34/33/85/262343385.db2.gz XWXSNPHPHBKFAR-XJKSGUPXSA-N 1 1 274.795 3.976 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365234089 262353130 /nfs/dbraw/zinc/35/31/30/262353130.db2.gz MKFYGVVJOGSPOW-SFHVURJKSA-N 1 1 291.394 3.536 20 30 CHEDMO N#CCCC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000335378571 262375750 /nfs/dbraw/zinc/37/57/50/262375750.db2.gz HPJXLBICFWFHNE-UHFFFAOYSA-N 1 1 271.389 3.816 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000336734019 262386103 /nfs/dbraw/zinc/38/61/03/262386103.db2.gz UZFSOPCOBOEOGM-UHFFFAOYSA-N 1 1 260.303 3.511 20 30 CHEDMO COc1cc(C[N@@H+](C)CCCCC(C)(C)C#N)ccc1O ZINC000336845381 262398987 /nfs/dbraw/zinc/39/89/87/262398987.db2.gz NSDITMVOPPIOLV-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO N#CCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000339734629 262663073 /nfs/dbraw/zinc/66/30/73/262663073.db2.gz DLMGZMXVLBPIPT-UHFFFAOYSA-N 1 1 298.308 3.678 20 30 CHEDMO N#CCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000411566207 262698677 /nfs/dbraw/zinc/69/86/77/262698677.db2.gz YXJZETWPUVMICW-ZDUSSCGKSA-N 1 1 297.171 3.543 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nccs1 ZINC000414227683 262828846 /nfs/dbraw/zinc/82/88/46/262828846.db2.gz WQFBJFMKGACFHN-UWVGGRQHSA-N 1 1 275.352 3.566 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000269266699 262967357 /nfs/dbraw/zinc/96/73/57/262967357.db2.gz HCQCNBDZBMWMIB-KBPBESRZSA-N 1 1 262.422 3.649 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271998964 263001114 /nfs/dbraw/zinc/00/11/14/263001114.db2.gz GWVIAJLGFYBKEF-CYBMUJFWSA-N 1 1 260.356 3.555 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000272016638 263001541 /nfs/dbraw/zinc/00/15/41/263001541.db2.gz LTJUTXDXMAYSAV-UHFFFAOYSA-N 1 1 262.784 3.638 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000274616012 263027910 /nfs/dbraw/zinc/02/79/10/263027910.db2.gz LDHSXAFTLNGKQP-XHNCKOQMSA-N 1 1 289.326 3.505 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000353424362 263032512 /nfs/dbraw/zinc/03/25/12/263032512.db2.gz UPBROISEYRWNQR-UHFFFAOYSA-N 1 1 286.419 3.773 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000276285197 263035653 /nfs/dbraw/zinc/03/56/53/263035653.db2.gz GNNSCROVHXTLFG-VNHYZAJKSA-N 1 1 260.356 3.696 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278560623 263048964 /nfs/dbraw/zinc/04/89/64/263048964.db2.gz IJCXFBCXIFCDSV-QGZVFWFLSA-N 1 1 294.402 3.548 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278560623 263048965 /nfs/dbraw/zinc/04/89/65/263048965.db2.gz IJCXFBCXIFCDSV-QGZVFWFLSA-N 1 1 294.402 3.548 20 30 CHEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278701804 263049806 /nfs/dbraw/zinc/04/98/06/263049806.db2.gz SZUMINKAPCOPNS-QWHCGFSZSA-N 1 1 298.308 3.709 20 30 CHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281884226 263072599 /nfs/dbraw/zinc/07/25/99/263072599.db2.gz DGAYGLOKLXZCFR-UHFFFAOYSA-N 1 1 286.419 3.609 20 30 CHEDMO CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000283593416 263083455 /nfs/dbraw/zinc/08/34/55/263083455.db2.gz SGXFBKVQWVDEED-OLZOCXBDSA-N 1 1 273.405 3.503 20 30 CHEDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCC(C)(C)C#N ZINC000284346628 263086436 /nfs/dbraw/zinc/08/64/36/263086436.db2.gz RNQOAPSJYMSOGD-LBPRGKRZSA-N 1 1 279.815 3.848 20 30 CHEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@H]1c1cccs1 ZINC000287016494 263100658 /nfs/dbraw/zinc/10/06/58/263100658.db2.gz RARLWOIHJBGVFQ-ZDUSSCGKSA-N 1 1 280.462 3.778 20 30 CHEDMO CC(C)CCN(CCC#N)C[C@H]1CCCC[N@H+]1C(C)C ZINC000340287059 263104637 /nfs/dbraw/zinc/10/46/37/263104637.db2.gz FXRHLIXMLIRNAU-QGZVFWFLSA-N 1 1 279.472 3.511 20 30 CHEDMO N#CCCCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000289368244 263109842 /nfs/dbraw/zinc/10/98/42/263109842.db2.gz OUOHEMXWBHMSOX-UHFFFAOYSA-N 1 1 291.826 3.546 20 30 CHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCCC(C)(C)C#N)C2 ZINC000289442186 263110223 /nfs/dbraw/zinc/11/02/23/263110223.db2.gz DUGDKBGWXVOGSQ-UHFFFAOYSA-N 1 1 298.430 3.872 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CC[C@H](C#N)C1 ZINC000293661981 263146244 /nfs/dbraw/zinc/14/62/44/263146244.db2.gz YUMQKUTXBXPNRJ-UWVGGRQHSA-N 1 1 254.786 3.526 20 30 CHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000292735620 263134585 /nfs/dbraw/zinc/13/45/85/263134585.db2.gz GVORVMLOBFRVJZ-UBDQQSCGSA-N 1 1 268.404 3.632 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000292861854 263135707 /nfs/dbraw/zinc/13/57/07/263135707.db2.gz RQFFYQCDCJWHKY-UGFHNGPFSA-N 1 1 260.768 3.779 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000292861854 263135708 /nfs/dbraw/zinc/13/57/08/263135708.db2.gz RQFFYQCDCJWHKY-UGFHNGPFSA-N 1 1 260.768 3.779 20 30 CHEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000292868974 263135938 /nfs/dbraw/zinc/13/59/38/263135938.db2.gz SDDDQYLAQLQKRO-SFHVURJKSA-N 1 1 297.402 3.625 20 30 CHEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCOCCC#N ZINC000292914667 263136402 /nfs/dbraw/zinc/13/64/02/263136402.db2.gz XKVUVWQWOTXGAY-KGLIPLIRSA-N 1 1 294.826 3.694 20 30 CHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293347753 263139457 /nfs/dbraw/zinc/13/94/57/263139457.db2.gz DLVVMSIZGHISFB-FZMZJTMJSA-N 1 1 282.309 3.829 20 30 CHEDMO C[N@H+](CCCC(C)(C)C#N)Cc1c(F)cccc1F ZINC000293373491 263139594 /nfs/dbraw/zinc/13/95/94/263139594.db2.gz JHDYZRYLYWSFDE-UHFFFAOYSA-N 1 1 266.335 3.727 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1c(F)cccc1F ZINC000293373491 263139595 /nfs/dbraw/zinc/13/95/95/263139595.db2.gz JHDYZRYLYWSFDE-UHFFFAOYSA-N 1 1 266.335 3.727 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c(C)c1 ZINC000294221631 263157945 /nfs/dbraw/zinc/15/79/45/263157945.db2.gz SKQINADZHHAXSG-BRWVUGGUSA-N 1 1 268.404 3.785 20 30 CHEDMO N#CCCOCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000294496995 263163202 /nfs/dbraw/zinc/16/32/02/263163202.db2.gz IBLVYPXNMKBBBR-UHFFFAOYSA-N 1 1 299.201 3.502 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1cccc(Br)c1 ZINC000298054006 263214553 /nfs/dbraw/zinc/21/45/53/263214553.db2.gz ICRAPBGYYZULDC-LLVKDONJSA-N 1 1 281.197 3.573 20 30 CHEDMO N#CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000298884187 263227372 /nfs/dbraw/zinc/22/73/72/263227372.db2.gz KMZOPJSZUDUKPC-CYBMUJFWSA-N 1 1 268.282 3.660 20 30 CHEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC#N ZINC000298904540 263227719 /nfs/dbraw/zinc/22/77/19/263227719.db2.gz MSOSNMWUBKNYDN-SNVBAGLBSA-N 1 1 289.379 3.822 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000299447286 263242420 /nfs/dbraw/zinc/24/24/20/263242420.db2.gz YTKQSHAPCIPRDP-LBPRGKRZSA-N 1 1 250.773 3.507 20 30 CHEDMO C=CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1ccccc1 ZINC000340948313 263313359 /nfs/dbraw/zinc/31/33/59/263313359.db2.gz LWGRGHMHLBXTJJ-UHFFFAOYSA-N 1 1 283.419 3.727 20 30 CHEDMO C=CC[N@H+](Cc1cnn(CC(C)C)c1)Cc1ccccc1 ZINC000340948313 263313361 /nfs/dbraw/zinc/31/33/61/263313361.db2.gz LWGRGHMHLBXTJJ-UHFFFAOYSA-N 1 1 283.419 3.727 20 30 CHEDMO N#CCC[N@@H+](CCCSCc1ccccc1)CC1CC1 ZINC000341574264 263344280 /nfs/dbraw/zinc/34/42/80/263344280.db2.gz JZKALUMUBMEVBX-UHFFFAOYSA-N 1 1 288.460 3.936 20 30 CHEDMO CC(C)n1cncc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425368070 264213450 /nfs/dbraw/zinc/21/34/50/264213450.db2.gz VMDKOAVVXSNEJX-CQSZACIVSA-N 1 1 282.391 3.529 20 30 CHEDMO CC(C)n1cncc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425368070 264213452 /nfs/dbraw/zinc/21/34/52/264213452.db2.gz VMDKOAVVXSNEJX-CQSZACIVSA-N 1 1 282.391 3.529 20 30 CHEDMO CCc1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)cc1 ZINC000343254995 264222741 /nfs/dbraw/zinc/22/27/41/264222741.db2.gz WKDUFNLTKOVKSB-UHFFFAOYSA-N 1 1 254.377 3.517 20 30 CHEDMO CCc1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)cc1 ZINC000343254995 264222742 /nfs/dbraw/zinc/22/27/42/264222742.db2.gz WKDUFNLTKOVKSB-UHFFFAOYSA-N 1 1 254.377 3.517 20 30 CHEDMO N#CCC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000425993655 264280525 /nfs/dbraw/zinc/28/05/25/264280525.db2.gz MBSDMHIFLGYQNI-UHFFFAOYSA-N 1 1 268.385 3.841 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC000180043985 264394972 /nfs/dbraw/zinc/39/49/72/264394972.db2.gz GMRGNXVJHITPFG-OAHLLOKOSA-N 1 1 256.349 3.780 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000520424631 265813778 /nfs/dbraw/zinc/81/37/78/265813778.db2.gz AEYSBDTZBHRNNU-MRXNPFEDSA-N 1 1 271.408 3.591 20 30 CHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356319303 266095024 /nfs/dbraw/zinc/09/50/24/266095024.db2.gz MTEMZBGMJVFFGY-NEPJUHHUSA-N 1 1 277.437 3.661 20 30 CHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356319303 266095027 /nfs/dbraw/zinc/09/50/27/266095027.db2.gz MTEMZBGMJVFFGY-NEPJUHHUSA-N 1 1 277.437 3.661 20 30 CHEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356422095 266111063 /nfs/dbraw/zinc/11/10/63/266111063.db2.gz UPRWWZYBWWLRDE-KRWDZBQOSA-N 1 1 297.427 3.612 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)CCCOc1cccc(C#N)c1 ZINC000357266446 266269237 /nfs/dbraw/zinc/26/92/37/266269237.db2.gz SHJZENIIHWKDJH-UHFFFAOYSA-N 1 1 299.418 3.589 20 30 CHEDMO C[N@H+]1CCC[C@@H]1CCSc1cccc(Cl)c1C#N ZINC000360953712 266760060 /nfs/dbraw/zinc/76/00/60/266760060.db2.gz MRPTXGKDVOFIEN-LLVKDONJSA-N 1 1 280.824 3.788 20 30 CHEDMO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363285370 267084827 /nfs/dbraw/zinc/08/48/27/267084827.db2.gz JIVBLGMOPBKEGL-AEFFLSMTSA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1noc(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363285370 267084829 /nfs/dbraw/zinc/08/48/29/267084829.db2.gz JIVBLGMOPBKEGL-AEFFLSMTSA-N 1 1 295.386 3.563 20 30 CHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000367561415 267099839 /nfs/dbraw/zinc/09/98/39/267099839.db2.gz AEWWEGWSWXQAFF-UHFFFAOYSA-N 1 1 290.313 3.770 20 30 CHEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000367561415 267099840 /nfs/dbraw/zinc/09/98/40/267099840.db2.gz AEWWEGWSWXQAFF-UHFFFAOYSA-N 1 1 290.313 3.770 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000368000683 267133382 /nfs/dbraw/zinc/13/33/82/267133382.db2.gz MJFFRCGUTBDZGM-INIZCTEOSA-N 1 1 296.418 3.613 20 30 CHEDMO CSCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369803972 267267748 /nfs/dbraw/zinc/26/77/48/267267748.db2.gz QJMAVPBTBLDADB-CVEARBPZSA-N 1 1 274.433 3.511 20 30 CHEDMO Cc1oc2ccccc2c1C[N@H+](CCC#N)CC1CC1 ZINC000119096486 267296066 /nfs/dbraw/zinc/29/60/66/267296066.db2.gz HHTKSBFEXGNXLE-UHFFFAOYSA-N 1 1 268.360 3.867 20 30 CHEDMO Cc1oc2ccccc2c1C[N@@H+](CCC#N)CC1CC1 ZINC000119096486 267296067 /nfs/dbraw/zinc/29/60/67/267296067.db2.gz HHTKSBFEXGNXLE-UHFFFAOYSA-N 1 1 268.360 3.867 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)CCCCOC)cc1Cl ZINC000418130924 267358532 /nfs/dbraw/zinc/35/85/32/267358532.db2.gz GWSBKQMKUKMFEK-UHFFFAOYSA-N 1 1 297.826 3.763 20 30 CHEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)cc2ccccc21 ZINC000418144724 267366206 /nfs/dbraw/zinc/36/62/06/267366206.db2.gz UZVPOKZKOGMAJN-UHFFFAOYSA-N 1 1 280.371 3.632 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000120113940 267381316 /nfs/dbraw/zinc/38/13/16/267381316.db2.gz RZDDCWHCJXVMBF-INIZCTEOSA-N 1 1 288.435 3.837 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccc2cc(OC)ccc2c1 ZINC000123251004 268018300 /nfs/dbraw/zinc/01/83/00/268018300.db2.gz QLGKJCMAZUXBCY-UHFFFAOYSA-N 1 1 268.360 3.584 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccc2cc(OC)ccc2c1 ZINC000123251004 268018302 /nfs/dbraw/zinc/01/83/02/268018302.db2.gz QLGKJCMAZUXBCY-UHFFFAOYSA-N 1 1 268.360 3.584 20 30 CHEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCC#N ZINC000267078449 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N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000050266867 328394647 /nfs/dbraw/zinc/39/46/47/328394647.db2.gz DNFIPEOJJVVROB-SFHVURJKSA-N 1 1 262.356 3.548 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CCC2(CCCC2)O1 ZINC000558723695 327117418 /nfs/dbraw/zinc/11/74/18/327117418.db2.gz ZCKQZXSQYCCQSB-QGZVFWFLSA-N 1 1 289.419 3.802 20 30 CHEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000074980667 327122400 /nfs/dbraw/zinc/12/24/00/327122400.db2.gz CICJVGUQLVGJBK-LBPRGKRZSA-N 1 1 266.435 3.532 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000074982071 327122779 /nfs/dbraw/zinc/12/27/79/327122779.db2.gz LPJNPRZCCCEGDA-INIZCTEOSA-N 1 1 274.433 3.779 20 30 CHEDMO C[C@@H](c1ccccn1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000091704072 327175467 /nfs/dbraw/zinc/17/54/67/327175467.db2.gz ZBHURHPUMQARGS-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@@H](c1ccccn1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000091704072 327175468 /nfs/dbraw/zinc/17/54/68/327175468.db2.gz ZBHURHPUMQARGS-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO Cc1ccc(C[N@H+](CCCCC#N)C(C)C)s1 ZINC000102398059 327226922 /nfs/dbraw/zinc/22/69/22/327226922.db2.gz VAUKEQITQSGQPE-UHFFFAOYSA-N 1 1 250.411 3.961 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)c(Cl)c1 ZINC000559416694 327244091 /nfs/dbraw/zinc/24/40/91/327244091.db2.gz RZCBSJDMXIKBMN-CQSZACIVSA-N 1 1 274.795 3.834 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000559479102 327248011 /nfs/dbraw/zinc/24/80/11/327248011.db2.gz AZIAEZYGFSOTMJ-HNNXBMFYSA-N 1 1 281.403 3.933 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000559479102 327248013 /nfs/dbraw/zinc/24/80/13/327248013.db2.gz AZIAEZYGFSOTMJ-HNNXBMFYSA-N 1 1 281.403 3.933 20 30 CHEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)C#N ZINC000123647589 327376905 /nfs/dbraw/zinc/37/69/05/327376905.db2.gz XDDKHRJVBMXJPL-KBPBESRZSA-N 1 1 257.381 3.698 20 30 CHEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)C#N ZINC000123647589 327376907 /nfs/dbraw/zinc/37/69/07/327376907.db2.gz XDDKHRJVBMXJPL-KBPBESRZSA-N 1 1 257.381 3.698 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428312996 327398011 /nfs/dbraw/zinc/39/80/11/327398011.db2.gz YEPPZUGXMBUELO-LBPRGKRZSA-N 1 1 284.334 3.557 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377641776 329022827 /nfs/dbraw/zinc/02/28/27/329022827.db2.gz AVLZOACWJZNPSJ-LJQANCHMSA-N 1 1 298.430 3.786 20 30 CHEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000393537322 329087090 /nfs/dbraw/zinc/08/70/90/329087090.db2.gz AZTIBFSVSHUDAT-HZPDHXFCSA-N 1 1 284.403 3.577 20 30 CHEDMO N#CCC[N@H+](Cc1cccc2ccccc21)CC1CC1 ZINC000174696561 329160790 /nfs/dbraw/zinc/16/07/90/329160790.db2.gz IHJKUIZEMFBYBR-UHFFFAOYSA-N 1 1 264.372 3.965 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000175128407 329163457 /nfs/dbraw/zinc/16/34/57/329163457.db2.gz GRBZRNQDISPPJH-GOSISDBHSA-N 1 1 279.387 3.624 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000175128407 329163458 /nfs/dbraw/zinc/16/34/58/329163458.db2.gz 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C=CCC[C@@H](CCC)[NH2+]C1CCN(C2CCC2)CC1 ZINC000462042389 331316960 /nfs/dbraw/zinc/31/69/60/331316960.db2.gz VDVVRHPDFNZNMW-OAHLLOKOSA-N 1 1 264.457 3.728 20 30 CHEDMO C[C@H]1CCCC[N@H+]1CCCNc1c(Cl)cccc1C#N ZINC000462921929 331334131 /nfs/dbraw/zinc/33/41/31/331334131.db2.gz KQBCVJBRQMDZNP-ZDUSSCGKSA-N 1 1 291.826 3.888 20 30 CHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000463216675 331342519 /nfs/dbraw/zinc/34/25/19/331342519.db2.gz WGZUWGNXYVKUFT-NXOAAHMSSA-N 1 1 265.441 3.604 20 30 CHEDMO C=CC[N@@H+](CCCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000463296856 331345722 /nfs/dbraw/zinc/34/57/22/331345722.db2.gz XGRFHXOGDXBVFB-UHFFFAOYSA-N 1 1 298.430 3.753 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000464582669 331363190 /nfs/dbraw/zinc/36/31/90/331363190.db2.gz WYSUYKGIBIDTGY-UHFFFAOYSA-N 1 1 281.321 3.789 20 30 CHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000488467250 332012097 /nfs/dbraw/zinc/01/20/97/332012097.db2.gz XBALVLDWONVJJU-CQSZACIVSA-N 1 1 282.362 3.760 20 30 CHEDMO Cc1cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)ccc1C#N ZINC000488999953 332037154 /nfs/dbraw/zinc/03/71/54/332037154.db2.gz DXLBHOLERYCQNW-AWEZNQCLSA-N 1 1 254.377 3.631 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc2cccnc21 ZINC000489400127 332050270 /nfs/dbraw/zinc/05/02/70/332050270.db2.gz JIBLXMWMGFFFJY-MRXNPFEDSA-N 1 1 252.361 3.775 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(OC)c1 ZINC000489446101 332053188 /nfs/dbraw/zinc/05/31/88/332053188.db2.gz YYTCHFUVRNOLTP-CYBMUJFWSA-N 1 1 297.345 3.837 20 30 CHEDMO CC(C)CC[N@@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000489577038 332059833 /nfs/dbraw/zinc/05/98/33/332059833.db2.gz LBNQJGWAOQNLKD-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(F)cc1C#N ZINC000489626017 332062176 /nfs/dbraw/zinc/06/21/76/332062176.db2.gz WIOWJNSVZODSQD-UHFFFAOYSA-N 1 1 288.391 3.823 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1F ZINC000490410229 332088887 /nfs/dbraw/zinc/08/88/87/332088887.db2.gz QWPFAHUKHJUHQM-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)c1ccc(F)cc1 ZINC000491315355 332188617 /nfs/dbraw/zinc/18/86/17/332188617.db2.gz MXTMZTCTGOXJKS-QGZVFWFLSA-N 1 1 283.346 3.612 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccn1CC)c1ccc(Cl)cc1 ZINC000491735159 332315669 /nfs/dbraw/zinc/31/56/69/332315669.db2.gz PFYBHGSWRZYLLZ-MRXNPFEDSA-N 1 1 272.779 3.626 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(F)cc1 ZINC000491767564 332335339 /nfs/dbraw/zinc/33/53/39/332335339.db2.gz IWZNKNBNAZOZJU-GOSISDBHSA-N 1 1 290.341 3.838 20 30 CHEDMO C#C[C@H]([NH2+]Cc1sccc1C)c1ccc(F)cc1 ZINC000491810413 332363149 /nfs/dbraw/zinc/36/31/49/332363149.db2.gz ZLTPFFWPROMMJD-AWEZNQCLSA-N 1 1 259.349 3.660 20 30 CHEDMO C#C[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(Cl)cc1 ZINC000491820200 332369923 /nfs/dbraw/zinc/36/99/23/332369923.db2.gz QIMSJIRUWPFIEH-AWEZNQCLSA-N 1 1 290.819 3.877 20 30 CHEDMO CCCC[N@@H+](CC)Cc1cc(C#N)ccc1Br ZINC000492417079 332396512 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ZINC000186456130 333161343 /nfs/dbraw/zinc/16/13/43/333161343.db2.gz HEWWSQSWYIDFQD-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO Cc1ccc2cc[nH+]c(NCC(C)(C)CC#N)c2c1 ZINC000521617394 333180042 /nfs/dbraw/zinc/18/00/42/333180042.db2.gz CNWKHUQHRXCGMI-UHFFFAOYSA-N 1 1 253.349 3.895 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000192049130 333228824 /nfs/dbraw/zinc/22/88/24/333228824.db2.gz IMEUOYUWSWALDT-IRXDYDNUSA-N 1 1 273.445 3.644 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC000192112678 333229816 /nfs/dbraw/zinc/22/98/16/333229816.db2.gz JBHFEYZDXVNYRW-HNNXBMFYSA-N 1 1 261.434 3.502 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCS1 ZINC000192170775 333231331 /nfs/dbraw/zinc/23/13/31/333231331.db2.gz COIJINZLTXAXEH-CYBMUJFWSA-N 1 1 279.836 3.519 20 30 CHEDMO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192935755 333240473 /nfs/dbraw/zinc/24/04/73/333240473.db2.gz UYQSYXVLQIXNQG-OALUTQOASA-N 1 1 286.463 3.843 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000193546704 333252822 /nfs/dbraw/zinc/25/28/22/333252822.db2.gz NCGFXVKJKJMQAP-CYBMUJFWSA-N 1 1 252.427 3.925 20 30 CHEDMO Cc1ncc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000194972618 333280447 /nfs/dbraw/zinc/28/04/47/333280447.db2.gz AYXHMJVSTZCEMH-NSHDSACASA-N 1 1 271.389 3.516 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194973314 333280619 /nfs/dbraw/zinc/28/06/19/333280619.db2.gz KEDCFKWCFZJDOB-ZDUSSCGKSA-N 1 1 295.342 3.659 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194973314 333280620 /nfs/dbraw/zinc/28/06/20/333280620.db2.gz KEDCFKWCFZJDOB-ZDUSSCGKSA-N 1 1 295.342 3.659 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000523011353 333304565 /nfs/dbraw/zinc/30/45/65/333304565.db2.gz NKVSGCUBOBKXQE-UHFFFAOYSA-N 1 1 298.224 3.856 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000230513768 333318707 /nfs/dbraw/zinc/31/87/07/333318707.db2.gz JTYGEIHJPFVNKV-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO CC[N@H+](CCOc1cccc2ccccc21)C[C@H](C)C#N ZINC000523370995 333324232 /nfs/dbraw/zinc/32/42/32/333324232.db2.gz KAXOUSSQMJIVAO-OAHLLOKOSA-N 1 1 282.387 3.700 20 30 CHEDMO CC[N@@H+](CCOc1cccc2ccccc21)C[C@H](C)C#N ZINC000523370995 333324233 /nfs/dbraw/zinc/32/42/33/333324233.db2.gz KAXOUSSQMJIVAO-OAHLLOKOSA-N 1 1 282.387 3.700 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000523558060 333333151 /nfs/dbraw/zinc/33/31/51/333333151.db2.gz NWUSCHOKQMHMNI-UHFFFAOYSA-N 1 1 292.379 3.782 20 30 CHEDMO C=CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000523607771 333334152 /nfs/dbraw/zinc/33/41/52/333334152.db2.gz VSRCSVRCYUAVSV-UHFFFAOYSA-N 1 1 286.238 3.909 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303520280 333343226 /nfs/dbraw/zinc/34/32/26/333343226.db2.gz CWSYOQJRQMGSGL-LJQANCHMSA-N 1 1 296.414 3.759 20 30 CHEDMO COc1cc(C[N@@H+](C)Cc2ccccc2C)ccc1C#N ZINC000234929474 333363006 /nfs/dbraw/zinc/36/30/06/333363006.db2.gz DOJAXVLPIDQSMF-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1C#N ZINC000524757323 333387160 /nfs/dbraw/zinc/38/71/60/333387160.db2.gz UXDOGTPRGCAAEU-CKEIUWERSA-N 1 1 254.377 3.711 20 30 CHEDMO C=CC[N@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000524893365 333392358 /nfs/dbraw/zinc/39/23/58/333392358.db2.gz PDJFYKLEXVNYNZ-CABCVRRESA-N 1 1 251.414 3.622 20 30 CHEDMO CCC[N@@H+](Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000524892970 333392401 /nfs/dbraw/zinc/39/24/01/333392401.db2.gz VJPMJZUJFQUZNS-KURKYZTESA-N 1 1 298.430 3.584 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)nc1 ZINC000576177714 335165752 /nfs/dbraw/zinc/16/57/52/335165752.db2.gz XSTGPGYJVQXTIW-GOSISDBHSA-N 1 1 291.398 3.723 20 30 CHEDMO CCC[C@@]1(C)CCC[N@@H+](CCCSCC#N)C1 ZINC000074991952 334022374 /nfs/dbraw/zinc/02/23/74/334022374.db2.gz WAIYIPXTHBFHNH-AWEZNQCLSA-N 1 1 254.443 3.535 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000076737947 334088296 /nfs/dbraw/zinc/08/82/96/334088296.db2.gz KLKWBZVFKBZHBU-CYBMUJFWSA-N 1 1 294.826 3.873 20 30 CHEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135150411 334118034 /nfs/dbraw/zinc/11/80/34/334118034.db2.gz QATUKZOAPHGHLS-CYBMUJFWSA-N 1 1 284.359 3.789 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC2(CCC2)C1 ZINC000135286583 334123468 /nfs/dbraw/zinc/12/34/68/334123468.db2.gz UKCGCFKSKMIOCE-UHFFFAOYSA-N 1 1 268.404 3.864 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000135715067 334136808 /nfs/dbraw/zinc/13/68/08/334136808.db2.gz PCBPWZYZVZHVJK-LLVKDONJSA-N 1 1 250.411 3.827 20 30 CHEDMO C=CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064290 334137851 /nfs/dbraw/zinc/13/78/51/334137851.db2.gz MZGHPZVOKWOERF-HNNXBMFYSA-N 1 1 280.456 3.502 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000079054623 334146799 /nfs/dbraw/zinc/14/67/99/334146799.db2.gz AUOUTHGTZCQPCL-CYBMUJFWSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1F ZINC000136226538 334150004 /nfs/dbraw/zinc/15/00/04/334150004.db2.gz WZZJNJGQYXLZPA-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000081599647 334198935 /nfs/dbraw/zinc/19/89/35/334198935.db2.gz DOFWBSTZQGXCSB-GFCCVEGCSA-N 1 1 288.391 3.822 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2cc(C)cc(Cl)c2)CC1 ZINC000549755329 334203734 /nfs/dbraw/zinc/20/37/34/334203734.db2.gz UAFWDDGZJRBMSK-UHFFFAOYSA-N 1 1 292.854 3.779 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000550210606 334215898 /nfs/dbraw/zinc/21/58/98/334215898.db2.gz IHPRIPRJHHPFAI-QGZVFWFLSA-N 1 1 294.373 3.881 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000245749993 334217267 /nfs/dbraw/zinc/21/72/67/334217267.db2.gz NQJUMCPYCYYTJN-OSAQELSMSA-N 1 1 260.406 3.773 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000550422164 334222224 /nfs/dbraw/zinc/22/22/24/334222224.db2.gz FVCYBYDMCHBTLM-CYBMUJFWSA-N 1 1 274.795 3.834 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)nc1 ZINC000551063610 334237624 /nfs/dbraw/zinc/23/76/24/334237624.db2.gz WTQZLYNIFBWNQT-IBGZPJMESA-N 1 1 291.398 3.550 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000246457692 334258412 /nfs/dbraw/zinc/25/84/12/334258412.db2.gz FPRBBUZIEHXHLD-SCLBCKFNSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000246457692 334258413 /nfs/dbraw/zinc/25/84/13/334258413.db2.gz FPRBBUZIEHXHLD-SCLBCKFNSA-N 1 1 280.346 3.890 20 30 CHEDMO C=CCC[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000552045793 334281146 /nfs/dbraw/zinc/28/11/46/334281146.db2.gz PBWVELAZOVMXBQ-WBVHZDCISA-N 1 1 288.435 3.893 20 30 CHEDMO C=CCC[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000552045792 334281158 /nfs/dbraw/zinc/28/11/58/334281158.db2.gz PBWVELAZOVMXBQ-RDJZCZTQSA-N 1 1 288.435 3.893 20 30 CHEDMO CCc1ccc([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000552060350 334283152 /nfs/dbraw/zinc/28/31/52/334283152.db2.gz PGMDMLAPHRTXJJ-HNNXBMFYSA-N 1 1 297.427 3.567 20 30 CHEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000552060350 334283153 /nfs/dbraw/zinc/28/31/53/334283153.db2.gz PGMDMLAPHRTXJJ-HNNXBMFYSA-N 1 1 297.427 3.567 20 30 CHEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000552316442 334316336 /nfs/dbraw/zinc/31/63/36/334316336.db2.gz AXHGGJXFADJRSC-AEFFLSMTSA-N 1 1 270.420 3.978 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249108640 334327872 /nfs/dbraw/zinc/32/78/72/334327872.db2.gz ALXFJZGUWKIEJU-SMDDNHRTSA-N 1 1 282.309 3.894 20 30 CHEDMO CC(C)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249416302 334333636 /nfs/dbraw/zinc/33/36/36/334333636.db2.gz ZKYLHTKZXXRCKJ-CJNGLKHVSA-N 1 1 274.433 3.693 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(CC#N)cc1 ZINC000342691322 335185723 /nfs/dbraw/zinc/18/57/23/335185723.db2.gz COQUQMHNTVCCQW-UHFFFAOYSA-N 1 1 270.401 3.836 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000576885495 335260539 /nfs/dbraw/zinc/26/05/39/335260539.db2.gz QDASSHASIUVJTG-KSSFIOAISA-N 1 1 277.371 3.536 20 30 CHEDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)s2)sc1C ZINC000176973074 335349473 /nfs/dbraw/zinc/34/94/73/335349473.db2.gz XTFDGIGNCNLDKO-UHFFFAOYSA-N 1 1 291.445 3.718 20 30 CHEDMO Cc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000177714736 335381448 /nfs/dbraw/zinc/38/14/48/335381448.db2.gz DNZFINBHPLCFSG-UHFFFAOYSA-N 1 1 293.288 3.748 20 30 CHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000183820333 335907306 /nfs/dbraw/zinc/90/73/06/335907306.db2.gz UFCBOJLYUMRGCL-QMMMGPOBSA-N 1 1 276.689 3.608 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000581111817 336009917 /nfs/dbraw/zinc/00/99/17/336009917.db2.gz DWVBUQXYMFLYAD-GFCCVEGCSA-N 1 1 297.320 3.667 20 30 CHEDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1 ZINC000336529310 533914921 /nfs/dbraw/zinc/91/49/21/533914921.db2.gz ZGTGJSVZGJUGCU-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cscn1 ZINC000334923898 534001314 /nfs/dbraw/zinc/00/13/14/534001314.db2.gz WSPQBXCJEMZDRJ-NHYWBVRUSA-N 1 1 283.400 3.743 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000353657900 534073192 /nfs/dbraw/zinc/07/31/92/534073192.db2.gz VEHRYDQGSXEYMO-CYBMUJFWSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1F ZINC000353657900 534073195 /nfs/dbraw/zinc/07/31/95/534073195.db2.gz VEHRYDQGSXEYMO-CYBMUJFWSA-N 1 1 280.346 3.644 20 30 CHEDMO Cc1ccc2[nH]c(C[N@H+](CCC#N)CC3CC3)cc2c1C ZINC000352004263 534352074 /nfs/dbraw/zinc/35/20/74/534352074.db2.gz VKOYCNFIYWJTPL-UHFFFAOYSA-N 1 1 281.403 3.910 20 30 CHEDMO Cc1ccc2[nH]c(C[N@@H+](CCC#N)CC3CC3)cc2c1C ZINC000352004263 534352080 /nfs/dbraw/zinc/35/20/80/534352080.db2.gz VKOYCNFIYWJTPL-UHFFFAOYSA-N 1 1 281.403 3.910 20 30 CHEDMO CC(C)[N@H+](Cc1ccco1)Cc1cccc(C#N)c1F ZINC000340933980 519660341 /nfs/dbraw/zinc/66/03/41/519660341.db2.gz APSDNGHSUDHYFA-UHFFFAOYSA-N 1 1 272.323 3.701 20 30 CHEDMO CC(C)[N@@H+](Cc1ccco1)Cc1cccc(C#N)c1F ZINC000340933980 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1132256088 /nfs/dbraw/zinc/25/60/88/1132256088.db2.gz PEMNVYGUNLFUDR-GDBMZVCRSA-N 1 1 274.433 3.859 20 30 CHEDMO CC[N@H+](CCC#N)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172869183 1132329901 /nfs/dbraw/zinc/32/99/01/1132329901.db2.gz MMYCGSMNUPPYPF-LLVKDONJSA-N 1 1 268.763 3.646 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172869183 1132329909 /nfs/dbraw/zinc/32/99/09/1132329909.db2.gz MMYCGSMNUPPYPF-LLVKDONJSA-N 1 1 268.763 3.646 20 30 CHEDMO CCCCCCCC[C@@H](CCC)[N@@H+](C)CC(=O)NC ZINC001173308777 1132449477 /nfs/dbraw/zinc/44/94/77/1132449477.db2.gz CCNITRCBTNIIFE-OAHLLOKOSA-N 1 1 270.461 3.584 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCC23CCCCC3)CC1 ZINC001173321380 1132460425 /nfs/dbraw/zinc/46/04/25/1132460425.db2.gz JVABSJCBZCVCFS-UHFFFAOYSA-N 1 1 263.425 3.909 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001173591976 1132496833 /nfs/dbraw/zinc/49/68/33/1132496833.db2.gz AWSPRUDRTYVHAN-CPCZMJQVSA-N 1 1 274.330 3.528 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(F)CC1 ZINC001233080618 1132568932 /nfs/dbraw/zinc/56/89/32/1132568932.db2.gz QDAMDULAYLVFPF-INIZCTEOSA-N 1 1 260.356 3.581 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001203887217 1133379945 /nfs/dbraw/zinc/37/99/45/1133379945.db2.gz XESBPRBUIALLLU-LBPRGKRZSA-N 1 1 267.294 3.551 20 30 CHEDMO CCCC[N@@H+](CCC#N)CC[C@@H](C)CCCC(C)(C)O ZINC001207671291 1133837821 /nfs/dbraw/zinc/83/78/21/1133837821.db2.gz VKKVUFFLDZRRJE-INIZCTEOSA-N 1 1 282.472 3.970 20 30 CHEDMO CCCC[N@@H+](CCC#N)CC[C@H](C)CCCC(C)(C)O ZINC001207671292 1133838336 /nfs/dbraw/zinc/83/83/36/1133838336.db2.gz VKKVUFFLDZRRJE-MRXNPFEDSA-N 1 1 282.472 3.970 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001209438136 1134019423 /nfs/dbraw/zinc/01/94/23/1134019423.db2.gz HFHKXIXOXIZART-HOTGVXAUSA-N 1 1 253.430 3.606 20 30 CHEDMO C=CCCCCCCCCN1CCC([NH+](C)C)CC1 ZINC001209443375 1134022963 /nfs/dbraw/zinc/02/29/63/1134022963.db2.gz RKUWIPOICGSITH-UHFFFAOYSA-N 1 1 266.473 3.929 20 30 CHEDMO C=CCCCCCCCC[NH+]1CCC(N(C)C)CC1 ZINC001209443375 1134022969 /nfs/dbraw/zinc/02/29/69/1134022969.db2.gz RKUWIPOICGSITH-UHFFFAOYSA-N 1 1 266.473 3.929 20 30 CHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCC(C)(C)C#N ZINC000134195645 1125517122 /nfs/dbraw/zinc/51/71/22/1125517122.db2.gz KQPDCRMEASFOBH-YOEHRIQHSA-N 1 1 286.419 3.640 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134445956 1125519120 /nfs/dbraw/zinc/51/91/20/1125519120.db2.gz NFIDWRMJVOCZNO-SECBINFHSA-N 1 1 276.327 3.527 20 30 CHEDMO CC(C)C[N@@H+](CCCCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000121296012 1125559013 /nfs/dbraw/zinc/55/90/13/1125559013.db2.gz UOTMWVMPOQAMFF-KRWDZBQOSA-N 1 1 292.398 3.511 20 30 CHEDMO CC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@H]1c1ccccc1 ZINC000245425892 1125571177 /nfs/dbraw/zinc/57/11/77/1125571177.db2.gz KWRRZJXLQOFLKL-YQVWRLOYSA-N 1 1 295.430 3.946 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2ccccc21)C1CC1 ZINC000532817934 1125584694 /nfs/dbraw/zinc/58/46/94/1125584694.db2.gz OEWRAMNAUWUSKH-AWEZNQCLSA-N 1 1 264.372 3.964 20 30 CHEDMO C#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245670556 1125586790 /nfs/dbraw/zinc/58/67/90/1125586790.db2.gz HGSIXLQQAVTOKS-ACDBMABISA-N 1 1 296.458 3.575 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000532934273 1125589753 /nfs/dbraw/zinc/58/97/53/1125589753.db2.gz VEQNCZYMEUJQIM-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO C[C@@H](C#N)C[N@H+](CCCOc1ccc(Cl)cc1)C1CC1 ZINC000533596545 1125618859 /nfs/dbraw/zinc/61/88/59/1125618859.db2.gz KFWJLNNIJGOVRX-ZDUSSCGKSA-N 1 1 292.810 3.733 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CCCOc1ccc(Cl)cc1)C1CC1 ZINC000533596545 1125618861 /nfs/dbraw/zinc/61/88/61/1125618861.db2.gz KFWJLNNIJGOVRX-ZDUSSCGKSA-N 1 1 292.810 3.733 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)c1 ZINC000885963684 1125631932 /nfs/dbraw/zinc/63/19/32/1125631932.db2.gz PJLPQFRUQPIZCO-QZTJIDSGSA-N 1 1 298.430 3.577 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404186573 1125635564 /nfs/dbraw/zinc/63/55/64/1125635564.db2.gz FAOZRIMFPVPTSL-OAHLLOKOSA-N 1 1 260.356 3.852 20 30 CHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000075838967 1125658063 /nfs/dbraw/zinc/65/80/63/1125658063.db2.gz BPEHWKYRRVBNKS-QGZVFWFLSA-N 1 1 271.408 3.583 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000886354063 1125672874 /nfs/dbraw/zinc/67/28/74/1125672874.db2.gz VHOWUBDWDXIPFO-ZDUSSCGKSA-N 1 1 286.400 3.557 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C=CCCC1 ZINC000110935073 1125682790 /nfs/dbraw/zinc/68/27/90/1125682790.db2.gz ZLPIYVICQHGMPD-SJLPKXTDSA-N 1 1 251.373 3.718 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000614963524 1125700195 /nfs/dbraw/zinc/70/01/95/1125700195.db2.gz HKQXARRCGPGTRU-CRAIPNDOSA-N 1 1 291.398 3.579 20 30 CHEDMO C=C(C)C[N@@H+](CC)CCCc1nc(-c2ccccc2)no1 ZINC000078662434 1125725792 /nfs/dbraw/zinc/72/57/92/1125725792.db2.gz CEJQIDPBTADHDR-UHFFFAOYSA-N 1 1 285.391 3.567 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccn1 ZINC000090665162 1125743596 /nfs/dbraw/zinc/74/35/96/1125743596.db2.gz SIVYTLHAERNJOD-RHSMWYFYSA-N 1 1 265.360 3.777 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404247962 1125744226 /nfs/dbraw/zinc/74/42/26/1125744226.db2.gz HDAAVINIILLFNN-WBMJQRKESA-N 1 1 260.356 3.708 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC000192075877 1125748013 /nfs/dbraw/zinc/74/80/13/1125748013.db2.gz LUAGGEJCDNSDPU-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC000192075877 1125748017 /nfs/dbraw/zinc/74/80/17/1125748017.db2.gz LUAGGEJCDNSDPU-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150071 1125756142 /nfs/dbraw/zinc/75/61/42/1125756142.db2.gz VXFLDFRCPULLCP-UHFFFAOYSA-N 1 1 284.403 3.744 20 30 CHEDMO CCOc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1O ZINC000093100850 1125764508 /nfs/dbraw/zinc/76/45/08/1125764508.db2.gz FXFAFBBFXUJSGU-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1cccs1 ZINC000093097825 1125764591 /nfs/dbraw/zinc/76/45/91/1125764591.db2.gz NZOSRIDJCYXSFJ-UHFFFAOYSA-N 1 1 250.411 3.552 20 30 CHEDMO CC[N@@H+](Cc1ncccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000093159761 1125766792 /nfs/dbraw/zinc/76/67/92/1125766792.db2.gz LGJHPPJEYIQNDR-OAHLLOKOSA-N 1 1 279.387 3.845 20 30 CHEDMO C=C(C)COc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000638248165 1129250267 /nfs/dbraw/zinc/25/02/67/1129250267.db2.gz XQXWFVOGGSQCKB-GDBMZVCRSA-N 1 1 274.408 3.536 20 30 CHEDMO C=CCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000735562388 1129351827 /nfs/dbraw/zinc/35/18/27/1129351827.db2.gz JYOUKTUMNQAPGY-UHFFFAOYSA-N 1 1 258.409 3.683 20 30 CHEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000735490077 1129348018 /nfs/dbraw/zinc/34/80/18/1129348018.db2.gz CEUPLCBEIKMNTI-IRXDYDNUSA-N 1 1 259.393 3.541 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000091629025 1129365050 /nfs/dbraw/zinc/36/50/50/1129365050.db2.gz NCZVYMISLNCLQW-PMPSAXMXSA-N 1 1 261.413 3.511 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238702690 1131234490 /nfs/dbraw/zinc/23/44/90/1131234490.db2.gz OQFYPUNIJLCJIS-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238702690 1131234495 /nfs/dbraw/zinc/23/44/95/1131234495.db2.gz OQFYPUNIJLCJIS-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccnn1CCc1ccccc1 ZINC000621709128 1129182806 /nfs/dbraw/zinc/18/28/06/1129182806.db2.gz MLCGBFJKKHVJCE-UHFFFAOYSA-N 1 1 283.419 3.524 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000739931599 1129409397 /nfs/dbraw/zinc/40/93/97/1129409397.db2.gz TZWUKHCTKDFSDE-MRXNPFEDSA-N 1 1 283.362 3.676 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000740876183 1129421651 /nfs/dbraw/zinc/42/16/51/1129421651.db2.gz PUASFBJIYHROAK-UHFFFAOYSA-N 1 1 281.469 3.626 20 30 CHEDMO CCCCCCCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000742137976 1129467882 /nfs/dbraw/zinc/46/78/82/1129467882.db2.gz PQWVYAMYIRHEPH-INIZCTEOSA-N 1 1 282.472 3.680 20 30 CHEDMO CCCC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccccc1 ZINC000801913848 1129958139 /nfs/dbraw/zinc/95/81/39/1129958139.db2.gz OJKGNNVJWIACRC-HZPDHXFCSA-N 1 1 274.408 3.778 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000786442215 1130093941 /nfs/dbraw/zinc/09/39/41/1130093941.db2.gz DOFFFVQHQKUWGC-UHFFFAOYSA-N 1 1 260.768 3.896 20 30 CHEDMO C[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001170097868 1130230971 /nfs/dbraw/zinc/23/09/71/1130230971.db2.gz GCTRJXMAHXDOID-BQBZGAKWSA-N 1 1 281.215 3.598 20 30 CHEDMO COc1ccc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)cc1C#N ZINC000135210475 1126714194 /nfs/dbraw/zinc/71/41/94/1126714194.db2.gz GRXDLDZJQLFZQH-ZDUSSCGKSA-N 1 1 296.370 3.885 20 30 CHEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135476880 1126718734 /nfs/dbraw/zinc/71/87/34/1126718734.db2.gz OYNCHEWRVSIKER-HNNXBMFYSA-N 1 1 288.460 3.815 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2Cl)no1 ZINC000899992660 1126721264 /nfs/dbraw/zinc/72/12/64/1126721264.db2.gz CBPPSQJXKBGLTL-ZDUSSCGKSA-N 1 1 291.782 3.670 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccncc1F ZINC000338347160 1126736980 /nfs/dbraw/zinc/73/69/80/1126736980.db2.gz WOTISMZSZUAOBF-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000150881339 1126746748 /nfs/dbraw/zinc/74/67/48/1126746748.db2.gz KUUSGWFUMUQCOG-LBPRGKRZSA-N 1 1 263.385 3.686 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000150881339 1126746751 /nfs/dbraw/zinc/74/67/51/1126746751.db2.gz KUUSGWFUMUQCOG-LBPRGKRZSA-N 1 1 263.385 3.686 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CC/C=C\c1ccccc1)C1CC1 ZINC000450618979 1126753512 /nfs/dbraw/zinc/75/35/12/1126753512.db2.gz VZRZJFABYGYSDL-HMZQOCAUSA-N 1 1 254.377 3.714 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000429566789 1126763411 /nfs/dbraw/zinc/76/34/11/1126763411.db2.gz LQCATHYOCWJSRW-UKRRQHHQSA-N 1 1 261.796 3.812 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)o1 ZINC000174253753 1126767962 /nfs/dbraw/zinc/76/79/62/1126767962.db2.gz YHHBGZHQECLFRL-AWEZNQCLSA-N 1 1 288.347 3.617 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(OC)cc1 ZINC000174822794 1126773757 /nfs/dbraw/zinc/77/37/57/1126773757.db2.gz ALTMBRPKSCPGIB-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)cc1 ZINC000160813554 1126774268 /nfs/dbraw/zinc/77/42/68/1126774268.db2.gz DPZUAKUVDVCKDV-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000174873813 1126774508 /nfs/dbraw/zinc/77/45/08/1126774508.db2.gz WRJCMSDNMDZRFO-QGZVFWFLSA-N 1 1 270.420 3.881 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC12CCCCC2 ZINC000483304341 1126780085 /nfs/dbraw/zinc/78/00/85/1126780085.db2.gz JENXFODLGBZETC-OAHLLOKOSA-N 1 1 285.435 3.689 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@@H]1c1cccc(F)c1 ZINC000175150699 1126777927 /nfs/dbraw/zinc/77/79/27/1126777927.db2.gz XALRETGVSVTWNM-CJNGLKHVSA-N 1 1 260.356 3.902 20 30 CHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC#N)cc1OC ZINC000160961310 1126791500 /nfs/dbraw/zinc/79/15/00/1126791500.db2.gz ZZGCHAKFGUWZQS-OAHLLOKOSA-N 1 1 288.391 3.535 20 30 CHEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483543975 1126791752 /nfs/dbraw/zinc/79/17/52/1126791752.db2.gz NETGAGYMVJZOAK-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO CC[N@H+](CC#Cc1ccccc1)CCc1ccccc1 ZINC000483520624 1126791871 /nfs/dbraw/zinc/79/18/71/1126791871.db2.gz VZGSEAFNDALQAP-UHFFFAOYSA-N 1 1 263.384 3.603 20 30 CHEDMO Fc1ccc(C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000483966295 1126806922 /nfs/dbraw/zinc/80/69/22/1126806922.db2.gz SWORQDAUZBJELS-LJQANCHMSA-N 1 1 293.385 3.742 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCc2ccccc2C1 ZINC000483953517 1126805369 /nfs/dbraw/zinc/80/53/69/1126805369.db2.gz AERHUBJJJKRMAF-HXUWFJFHSA-N 1 1 275.395 3.527 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC000483977553 1126806507 /nfs/dbraw/zinc/80/65/07/1126806507.db2.gz PRCMMUSBBKVCIT-QGZVFWFLSA-N 1 1 294.373 3.762 20 30 CHEDMO CCS[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483950646 1126806709 /nfs/dbraw/zinc/80/67/09/1126806709.db2.gz DYPAHHDRVARZGS-QGZVFWFLSA-N 1 1 273.445 3.646 20 30 CHEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000483988675 1126807900 /nfs/dbraw/zinc/80/79/00/1126807900.db2.gz VWNBJFUTMKZNPC-GUDVDZBRSA-N 1 1 297.442 3.564 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000700378587 1130546050 /nfs/dbraw/zinc/54/60/50/1130546050.db2.gz GFDRCBMRMZIEFO-HOTGVXAUSA-N 1 1 255.446 3.687 20 30 CHEDMO C=CC[N@@H+](CCOC)[C@H](C)c1cccc(Cl)c1F ZINC000484572008 1126828490 /nfs/dbraw/zinc/82/84/90/1126828490.db2.gz MOIOCCZIBSKDLB-LLVKDONJSA-N 1 1 271.763 3.675 20 30 CHEDMO C=CC[N@H+](CCOC)[C@H](C)c1cccc(Cl)c1F ZINC000484572008 1126828493 /nfs/dbraw/zinc/82/84/93/1126828493.db2.gz MOIOCCZIBSKDLB-LLVKDONJSA-N 1 1 271.763 3.675 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179682855 1126831794 /nfs/dbraw/zinc/83/17/94/1126831794.db2.gz HMSZQQPZLPPPBM-UHFFFAOYSA-N 1 1 299.393 3.995 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000179682855 1126831797 /nfs/dbraw/zinc/83/17/97/1126831797.db2.gz HMSZQQPZLPPPBM-UHFFFAOYSA-N 1 1 299.393 3.995 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000904576408 1126861205 /nfs/dbraw/zinc/86/12/05/1126861205.db2.gz HSZPODTYCPWBJI-WXRRBKDZSA-N 1 1 263.385 3.719 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC000904679032 1126865458 /nfs/dbraw/zinc/86/54/58/1126865458.db2.gz XJIOYBJBZGXEOS-LLVKDONJSA-N 1 1 295.745 3.885 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)s2)no1 ZINC000904688504 1126865849 /nfs/dbraw/zinc/86/58/49/1126865849.db2.gz BWBHXRCHOBFDMH-QMMMGPOBSA-N 1 1 283.784 3.808 20 30 CHEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000182586181 1126874490 /nfs/dbraw/zinc/87/44/90/1126874490.db2.gz ICBATIDTARCRHM-DOMZBBRYSA-N 1 1 275.783 3.824 20 30 CHEDMO C[C@H]1CCCC[C@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000182944873 1126879935 /nfs/dbraw/zinc/87/99/35/1126879935.db2.gz PLKQAVJRKMJVLQ-RDJZCZTQSA-N 1 1 271.408 3.624 20 30 CHEDMO C[C@H]1CCCC[C@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000182944873 1126879936 /nfs/dbraw/zinc/87/99/36/1126879936.db2.gz PLKQAVJRKMJVLQ-RDJZCZTQSA-N 1 1 271.408 3.624 20 30 CHEDMO C#CCC(C)(C)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000184747255 1126895974 /nfs/dbraw/zinc/89/59/74/1126895974.db2.gz WQPIBWLSYMKZMA-UHFFFAOYSA-N 1 1 298.430 3.646 20 30 CHEDMO CCCCCCC/C=C/CN(CC)C1CC[NH2+]CC1 ZINC001235762223 1130776559 /nfs/dbraw/zinc/77/65/59/1130776559.db2.gz XECSIOVIKWXUNO-ZHACJKMWSA-N 1 1 266.473 3.977 20 30 CHEDMO CCC(CC)[C@@H](CN[C@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037241170 1126976202 /nfs/dbraw/zinc/97/62/02/1126976202.db2.gz JFFFSJSOEMDSNJ-RDTXWAMCSA-N 1 1 287.451 3.575 20 30 CHEDMO C(=[NH+]OCCC1CC1)c1ccc(N2CCCCC2)s1 ZINC000814246168 1130848347 /nfs/dbraw/zinc/84/83/47/1130848347.db2.gz FHBFBGFHECFMHE-UHFFFAOYSA-N 1 1 278.421 3.889 20 30 CHEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001320158799 1127020648 /nfs/dbraw/zinc/02/06/48/1127020648.db2.gz AAEKIIREKAFXAD-AAEUAGOBSA-N 1 1 283.774 3.817 20 30 CHEDMO C=CCCCCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000488123438 1127058350 /nfs/dbraw/zinc/05/83/50/1127058350.db2.gz JDUGVBWCFBSBAY-CVEARBPZSA-N 1 1 283.481 3.719 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000488209578 1127063017 /nfs/dbraw/zinc/06/30/17/1127063017.db2.gz JJBOVQGRGYEUFR-HNNXBMFYSA-N 1 1 265.422 3.868 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000488209578 1127063018 /nfs/dbraw/zinc/06/30/18/1127063018.db2.gz JJBOVQGRGYEUFR-HNNXBMFYSA-N 1 1 265.422 3.868 20 30 CHEDMO COc1ccsc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000271046191 1127065481 /nfs/dbraw/zinc/06/54/81/1127065481.db2.gz LZSIESADQILVKT-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(N(C)C)cc1 ZINC000271052913 1127067753 /nfs/dbraw/zinc/06/77/53/1127067753.db2.gz BOFHMVULPWPDHT-UHFFFAOYSA-N 1 1 297.402 3.628 20 30 CHEDMO N#CCC[N@H+](CCCOc1cccc(Cl)c1)CC1CC1 ZINC000348549888 1127122141 /nfs/dbraw/zinc/12/21/41/1127122141.db2.gz CJROOLMJXLQETL-UHFFFAOYSA-N 1 1 292.810 3.735 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000348927289 1127134498 /nfs/dbraw/zinc/13/44/98/1127134498.db2.gz ZVJRPUOMOZFTIR-OAHLLOKOSA-N 1 1 257.381 3.548 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000348907535 1127134596 /nfs/dbraw/zinc/13/45/96/1127134596.db2.gz XCBHANBQBIUHAX-GOSISDBHSA-N 1 1 294.398 3.984 20 30 CHEDMO CC(C)c1[nH+]c(/C=C\c2ccncc2C#N)c2ccccn21 ZINC000349103806 1127139995 /nfs/dbraw/zinc/13/99/95/1127139995.db2.gz CYKQNUXATVSDFF-SREVYHEPSA-N 1 1 288.354 3.895 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC000586783451 1127141167 /nfs/dbraw/zinc/14/11/67/1127141167.db2.gz XIXIRMVCSZNHLW-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000588204776 1127181117 /nfs/dbraw/zinc/18/11/17/1127181117.db2.gz OCIRGUNKRBERJC-IFXJQAMLSA-N 1 1 291.398 3.845 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000351471369 1127188744 /nfs/dbraw/zinc/18/87/44/1127188744.db2.gz JUKUKRWBJCTKPM-BPUTZDHNSA-N 1 1 277.408 3.688 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351542973 1127192789 /nfs/dbraw/zinc/19/27/89/1127192789.db2.gz ZTSNRFXIRDJRDO-LBPRGKRZSA-N 1 1 275.783 3.529 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351542973 1127192791 /nfs/dbraw/zinc/19/27/91/1127192791.db2.gz ZTSNRFXIRDJRDO-LBPRGKRZSA-N 1 1 275.783 3.529 20 30 CHEDMO CCCC[N@H+](C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000588960731 1127208303 /nfs/dbraw/zinc/20/83/03/1127208303.db2.gz DIDYSKNAMIOVCZ-KXBFYZLASA-N 1 1 299.462 3.646 20 30 CHEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000588960731 1127208308 /nfs/dbraw/zinc/20/83/08/1127208308.db2.gz DIDYSKNAMIOVCZ-KXBFYZLASA-N 1 1 299.462 3.646 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(Cl)c1 ZINC000588978284 1127209147 /nfs/dbraw/zinc/20/91/47/1127209147.db2.gz UYSCQJLMADUWCN-AWEZNQCLSA-N 1 1 274.795 3.834 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC(C)(C)C ZINC001237752202 1131139788 /nfs/dbraw/zinc/13/97/88/1131139788.db2.gz SWWTWFPGUIAVPF-UHFFFAOYSA-N 1 1 250.773 3.690 20 30 CHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000352410212 1127230379 /nfs/dbraw/zinc/23/03/79/1127230379.db2.gz PCMJYSGDLZETQK-CYBMUJFWSA-N 1 1 298.390 3.619 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001275110594 1127235184 /nfs/dbraw/zinc/23/51/84/1127235184.db2.gz AZAMOQXRTCHWJQ-SJLPKXTDSA-N 1 1 294.483 3.680 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccn1 ZINC000352905809 1127249775 /nfs/dbraw/zinc/24/97/75/1127249775.db2.gz ZSITWHFVLMMRQF-INIZCTEOSA-N 1 1 298.434 3.998 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccn1 ZINC000352905809 1127249777 /nfs/dbraw/zinc/24/97/77/1127249777.db2.gz ZSITWHFVLMMRQF-INIZCTEOSA-N 1 1 298.434 3.998 20 30 CHEDMO CCOC1CC(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000286091049 1127257762 /nfs/dbraw/zinc/25/77/62/1127257762.db2.gz UFTLYWMOPDLHHL-NXVRBGIVSA-N 1 1 286.419 3.756 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(Cl)c1C(=O)OCC ZINC001238046735 1131165116 /nfs/dbraw/zinc/16/51/16/1131165116.db2.gz LXKMGLYHOIFLQS-UHFFFAOYSA-N 1 1 295.810 3.915 20 30 CHEDMO CC1=CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000353918181 1127278462 /nfs/dbraw/zinc/27/84/62/1127278462.db2.gz JAABXCLKSXRTBT-UHFFFAOYSA-N 1 1 270.376 3.521 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000353963856 1127282505 /nfs/dbraw/zinc/28/25/05/1127282505.db2.gz YKONFSFUFNIDLN-MSOLQXFVSA-N 1 1 280.371 3.860 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000353963856 1127282508 /nfs/dbraw/zinc/28/25/08/1127282508.db2.gz YKONFSFUFNIDLN-MSOLQXFVSA-N 1 1 280.371 3.860 20 30 CHEDMO C#CCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000760818958 1127294791 /nfs/dbraw/zinc/29/47/91/1127294791.db2.gz QWGZAJFQBUMSSL-UHFFFAOYSA-N 1 1 268.187 3.981 20 30 CHEDMO CC[N@@H+](CCOC1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000287364440 1127302443 /nfs/dbraw/zinc/30/24/43/1127302443.db2.gz PVRKXWULLAFJTE-CQSZACIVSA-N 1 1 272.392 3.510 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(C)c(Cl)cc2F)C1 ZINC001238303302 1131188779 /nfs/dbraw/zinc/18/87/79/1131188779.db2.gz NDEYJEDIQDUYBI-GFCCVEGCSA-N 1 1 265.759 3.633 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(Cl)cc2F)C1 ZINC001238303302 1131188782 /nfs/dbraw/zinc/18/87/82/1131188782.db2.gz NDEYJEDIQDUYBI-GFCCVEGCSA-N 1 1 265.759 3.633 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000760845178 1127310856 /nfs/dbraw/zinc/31/08/56/1127310856.db2.gz UKKRISZBBUCRGZ-CQSZACIVSA-N 1 1 291.822 3.626 20 30 CHEDMO C#CCC[N@@H+]1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000760845787 1127310924 /nfs/dbraw/zinc/31/09/24/1127310924.db2.gz CPFSTKFZMLMRSG-SNVBAGLBSA-N 1 1 268.187 3.936 20 30 CHEDMO C#CCC[N@H+]1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000760845787 1127310926 /nfs/dbraw/zinc/31/09/26/1127310926.db2.gz CPFSTKFZMLMRSG-SNVBAGLBSA-N 1 1 268.187 3.936 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000573491281 1127316734 /nfs/dbraw/zinc/31/67/34/1127316734.db2.gz WXIWYSDZPIYPBG-GOSISDBHSA-N 1 1 294.398 3.636 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000355131023 1127319689 /nfs/dbraw/zinc/31/96/89/1127319689.db2.gz ZDEMHVAOVVXKJL-VXGBXAGGSA-N 1 1 297.427 3.915 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cnccc2C)CCCC1(C)C ZINC000355140165 1127320261 /nfs/dbraw/zinc/32/02/61/1127320261.db2.gz XPFZDCAFGKEETR-INIZCTEOSA-N 1 1 258.409 3.957 20 30 CHEDMO CC[N@@H+](CCc1ccncc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000573799077 1127328076 /nfs/dbraw/zinc/32/80/76/1127328076.db2.gz WNXUILFVBPGHOI-MRXNPFEDSA-N 1 1 293.414 3.887 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(F)cc(C)cc1OC ZINC001238591902 1131220404 /nfs/dbraw/zinc/22/04/04/1131220404.db2.gz OLECMORRIDZSEV-UHFFFAOYSA-N 1 1 251.345 3.541 20 30 CHEDMO CC(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC000592074427 1127334168 /nfs/dbraw/zinc/33/41/68/1127334168.db2.gz LIDPKGXFSWFXFF-KRWDZBQOSA-N 1 1 283.350 3.579 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592070269 1127334340 /nfs/dbraw/zinc/33/43/40/1127334340.db2.gz JHZYPALWLVXSCW-IBGZPJMESA-N 1 1 291.398 3.507 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccncc2C#N)C1 ZINC000592069300 1127334530 /nfs/dbraw/zinc/33/45/30/1127334530.db2.gz OJVSNYKFTNOPAD-WBVHZDCISA-N 1 1 291.398 3.640 20 30 CHEDMO CC(C)C[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592068161 1127335242 /nfs/dbraw/zinc/33/52/42/1127335242.db2.gz SROCNHUTTZFQLX-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592068161 1127335246 /nfs/dbraw/zinc/33/52/46/1127335246.db2.gz SROCNHUTTZFQLX-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000592124666 1127335831 /nfs/dbraw/zinc/33/58/31/1127335831.db2.gz IXDJRKKFNBPYJM-OALUTQOASA-N 1 1 291.398 3.721 20 30 CHEDMO CSc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592120468 1127336441 /nfs/dbraw/zinc/33/64/41/1127336441.db2.gz BHDPAFQWTRUGPH-LBPRGKRZSA-N 1 1 283.400 3.526 20 30 CHEDMO N#Cc1cnccc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000592080075 1127336503 /nfs/dbraw/zinc/33/65/03/1127336503.db2.gz MDFJQPRFBJSJOO-UHFFFAOYSA-N 1 1 295.361 3.651 20 30 CHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1CCCC#N ZINC000592144036 1127336979 /nfs/dbraw/zinc/33/69/79/1127336979.db2.gz YPMPTLZSAZKBCC-MRXNPFEDSA-N 1 1 260.356 3.526 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000592153553 1127342055 /nfs/dbraw/zinc/34/20/55/1127342055.db2.gz GOPXZVSZVRXJNX-TZMCWYRMSA-N 1 1 289.448 3.663 20 30 CHEDMO CC[C@@H](OCC[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000593016853 1127364907 /nfs/dbraw/zinc/36/49/07/1127364907.db2.gz XESAUVGZIVNVTR-GOSISDBHSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@@H](OCC[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000593016853 1127364912 /nfs/dbraw/zinc/36/49/12/1127364912.db2.gz XESAUVGZIVNVTR-GOSISDBHSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1F ZINC000593061941 1127367628 /nfs/dbraw/zinc/36/76/28/1127367628.db2.gz WAKMTGZJWGHONH-KRWDZBQOSA-N 1 1 298.361 3.947 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000593053004 1127369697 /nfs/dbraw/zinc/36/96/97/1127369697.db2.gz YMUUUMZEIMIDTO-PBHICJAKSA-N 1 1 292.382 3.997 20 30 CHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356322128 1127382762 /nfs/dbraw/zinc/38/27/62/1127382762.db2.gz QWTRSPJRUNYVSA-CZUORRHYSA-N 1 1 297.427 3.988 20 30 CHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356322128 1127382767 /nfs/dbraw/zinc/38/27/67/1127382767.db2.gz QWTRSPJRUNYVSA-CZUORRHYSA-N 1 1 297.427 3.988 20 30 CHEDMO CC(C)Oc1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653474 1127393568 /nfs/dbraw/zinc/39/35/68/1127393568.db2.gz YYNJSUPJRXIABR-UHFFFAOYSA-N 1 1 272.392 3.647 20 30 CHEDMO C#Cc1ccc(C[N@H+](CC)[C@@H](C)c2cccnc2)cc1 ZINC000290436463 1127390581 /nfs/dbraw/zinc/39/05/81/1127390581.db2.gz LOYGOFQDEGEFDJ-HNNXBMFYSA-N 1 1 264.372 3.646 20 30 CHEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000593650790 1127392794 /nfs/dbraw/zinc/39/27/94/1127392794.db2.gz ZWUCEBKXRSUUFI-UHFFFAOYSA-N 1 1 294.402 3.559 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000046526463 1127413233 /nfs/dbraw/zinc/41/32/33/1127413233.db2.gz LFHHSGJDGAOSBU-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000046526463 1127413235 /nfs/dbraw/zinc/41/32/35/1127413235.db2.gz LFHHSGJDGAOSBU-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001308660133 1127422594 /nfs/dbraw/zinc/42/25/94/1127422594.db2.gz GNJDNKZGUCNFFR-SFHVURJKSA-N 1 1 271.404 3.644 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000358509940 1127424396 /nfs/dbraw/zinc/42/43/96/1127424396.db2.gz NVIFIVSOJHTKJY-LBPRGKRZSA-N 1 1 252.427 3.973 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc2scnc2c1 ZINC001308726438 1127442376 /nfs/dbraw/zinc/44/23/76/1127442376.db2.gz HKBHBVHINFXEDK-CYBMUJFWSA-N 1 1 258.390 3.837 20 30 CHEDMO CC(C)Cc1ncc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000594981541 1127442988 /nfs/dbraw/zinc/44/29/88/1127442988.db2.gz RDDUUZWUTXDUIA-UHFFFAOYSA-N 1 1 291.464 3.905 20 30 CHEDMO COc1ccc(C)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594994281 1127444479 /nfs/dbraw/zinc/44/44/79/1127444479.db2.gz JIFWQCSIJSNAPH-UHFFFAOYSA-N 1 1 272.392 3.567 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cncc(F)c1 ZINC000359254119 1127455096 /nfs/dbraw/zinc/45/50/96/1127455096.db2.gz ZHFNYXMMFFOXDG-GHMZBOCLSA-N 1 1 287.313 3.643 20 30 CHEDMO CCC[N@@H+](Cc1cc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000595290100 1127457392 /nfs/dbraw/zinc/45/73/92/1127457392.db2.gz JRYYQPQHGBJADU-UHFFFAOYSA-N 1 1 295.386 3.836 20 30 CHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000595299164 1127458004 /nfs/dbraw/zinc/45/80/04/1127458004.db2.gz WXEDMXDDHKBUBH-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO N#Cc1ccc(CC[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000595285883 1127458294 /nfs/dbraw/zinc/45/82/94/1127458294.db2.gz AXYLVOZZTYBBDF-UHFFFAOYSA-N 1 1 282.412 3.827 20 30 CHEDMO CO[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCC1 ZINC000595332107 1127458978 /nfs/dbraw/zinc/45/89/78/1127458978.db2.gz BYRIWMLZEBJBCW-GBESFXJTSA-N 1 1 298.430 3.573 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595427200 1127462107 /nfs/dbraw/zinc/46/21/07/1127462107.db2.gz SLVJEBXNUYQCGM-FUHWJXTLSA-N 1 1 268.404 3.732 20 30 CHEDMO C[N@H+](CCSc1ccc(F)cc1F)CC(C)(C)C#N ZINC000595503246 1127464817 /nfs/dbraw/zinc/46/48/17/1127464817.db2.gz ZBRAFRSYEBXMIA-UHFFFAOYSA-N 1 1 284.375 3.538 20 30 CHEDMO C[N@@H+](CCSc1ccc(F)cc1F)CC(C)(C)C#N ZINC000595503246 1127464818 /nfs/dbraw/zinc/46/48/18/1127464818.db2.gz ZBRAFRSYEBXMIA-UHFFFAOYSA-N 1 1 284.375 3.538 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000595623659 1127468397 /nfs/dbraw/zinc/46/83/97/1127468397.db2.gz WLFUZBMZXXRCEB-CQSZACIVSA-N 1 1 254.377 3.690 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566191 1127465673 /nfs/dbraw/zinc/46/56/73/1127465673.db2.gz GDAFEUOLCAUSOY-WFASDCNBSA-N 1 1 260.768 3.586 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566191 1127465675 /nfs/dbraw/zinc/46/56/75/1127465675.db2.gz GDAFEUOLCAUSOY-WFASDCNBSA-N 1 1 260.768 3.586 20 30 CHEDMO C[C@@H](CC[N@H+]1CCC[C@@H](CC#N)C1)OCc1ccccc1 ZINC000595623066 1127468721 /nfs/dbraw/zinc/46/87/21/1127468721.db2.gz GCZUAHUNSZLCJO-IRXDYDNUSA-N 1 1 286.419 3.607 20 30 CHEDMO Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595612222 1127470201 /nfs/dbraw/zinc/47/02/01/1127470201.db2.gz UAFUWNCEMBCUIK-QGZVFWFLSA-N 1 1 286.419 3.698 20 30 CHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000595603039 1127470273 /nfs/dbraw/zinc/47/02/73/1127470273.db2.gz WYWJEQMAMQIYBD-OAHLLOKOSA-N 1 1 254.377 3.744 20 30 CHEDMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595614322 1127470475 /nfs/dbraw/zinc/47/04/75/1127470475.db2.gz KGIRQCVTJVLFPO-HNNXBMFYSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610722 1127470564 /nfs/dbraw/zinc/47/05/64/1127470564.db2.gz ANIVKNFXCRUFOD-HNNXBMFYSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615900 1127471285 /nfs/dbraw/zinc/47/12/85/1127471285.db2.gz UMDDEHDKCXDGOP-NVXWUHKLSA-N 1 1 256.393 3.633 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1SC ZINC000595615913 1127471423 /nfs/dbraw/zinc/47/14/23/1127471423.db2.gz UNBDGPRFNCLSGU-ZDUSSCGKSA-N 1 1 290.432 3.543 20 30 CHEDMO CC(C)c1ccc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656748 1127471972 /nfs/dbraw/zinc/47/19/72/1127471972.db2.gz DVNGJBOKZUSWKS-KDOFPFPSSA-N 1 1 268.404 3.860 20 30 CHEDMO CC(C)c1ccc2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000595656749 1127472122 /nfs/dbraw/zinc/47/21/22/1127472122.db2.gz DVNGJBOKZUSWKS-KSSFIOAISA-N 1 1 268.404 3.860 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595677450 1127472609 /nfs/dbraw/zinc/47/26/09/1127472609.db2.gz UUUDZXAOBCJBOL-UKRRQHHQSA-N 1 1 258.365 3.889 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755744 1127474915 /nfs/dbraw/zinc/47/49/15/1127474915.db2.gz PLGZXEYSYVAHMA-KBPBESRZSA-N 1 1 260.356 3.691 20 30 CHEDMO CC1(C)CC[N@@H+](C[C@@H](C#N)CCC#N)CC(C)(C)C1 ZINC000595748828 1127475155 /nfs/dbraw/zinc/47/51/55/1127475155.db2.gz IDBZQHHNIFRORI-CQSZACIVSA-N 1 1 261.413 3.578 20 30 CHEDMO CCC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000595781185 1127476662 /nfs/dbraw/zinc/47/66/62/1127476662.db2.gz ACBGQRKTQSMQDB-ZFWWWQNUSA-N 1 1 260.356 3.730 20 30 CHEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840020 1127477023 /nfs/dbraw/zinc/47/70/23/1127477023.db2.gz NQIVLMYXSVUQEA-RISCZKNCSA-N 1 1 298.308 3.882 20 30 CHEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840020 1127477024 /nfs/dbraw/zinc/47/70/24/1127477024.db2.gz NQIVLMYXSVUQEA-RISCZKNCSA-N 1 1 298.308 3.882 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000595839366 1127477194 /nfs/dbraw/zinc/47/71/94/1127477194.db2.gz IXYYLZYEDQUUCZ-LJQANCHMSA-N 1 1 294.398 3.844 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000595839366 1127477196 /nfs/dbraw/zinc/47/71/96/1127477196.db2.gz IXYYLZYEDQUUCZ-LJQANCHMSA-N 1 1 294.398 3.844 20 30 CHEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840021 1127477357 /nfs/dbraw/zinc/47/73/57/1127477357.db2.gz NQIVLMYXSVUQEA-SMDDNHRTSA-N 1 1 298.308 3.882 20 30 CHEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840021 1127477358 /nfs/dbraw/zinc/47/73/58/1127477358.db2.gz NQIVLMYXSVUQEA-SMDDNHRTSA-N 1 1 298.308 3.882 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000595843164 1127478249 /nfs/dbraw/zinc/47/82/49/1127478249.db2.gz IRDJXJVNKQMRLI-MRXNPFEDSA-N 1 1 274.433 3.545 20 30 CHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595867400 1127479159 /nfs/dbraw/zinc/47/91/59/1127479159.db2.gz MPBWIAITMHLQMB-SWLSCSKDSA-N 1 1 287.363 3.619 20 30 CHEDMO CC1(C)C[C@@]1([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000596057446 1127481435 /nfs/dbraw/zinc/48/14/35/1127481435.db2.gz RCUIYYZPKVUFPC-QGZVFWFLSA-N 1 1 266.344 3.566 20 30 CHEDMO Cc1ccc2c(c1)[nH+]c(C)cc2OCC1(CC#N)CC1 ZINC000596272713 1127487177 /nfs/dbraw/zinc/48/71/77/1127487177.db2.gz DUSPNBXBOHTIOV-UHFFFAOYSA-N 1 1 266.344 3.924 20 30 CHEDMO Cc1cc(OCC2(CC#N)CC2)c2c(C)cccc2[nH+]1 ZINC000596274384 1127487956 /nfs/dbraw/zinc/48/79/56/1127487956.db2.gz SMBXHNBQPAWSKU-UHFFFAOYSA-N 1 1 266.344 3.924 20 30 CHEDMO COc1cccc2c(N3CCC[C@@H](CC#N)C3)cc(C)[nH+]c12 ZINC000596327741 1127493071 /nfs/dbraw/zinc/49/30/71/1127493071.db2.gz BHVQGRPINVMHBF-AWEZNQCLSA-N 1 1 295.386 3.682 20 30 CHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCCCC#N)c1 ZINC000360465652 1127499630 /nfs/dbraw/zinc/49/96/30/1127499630.db2.gz GSWFELVBLKXNBG-PBHICJAKSA-N 1 1 272.392 3.772 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1c1ccncc1 ZINC000596595378 1127510138 /nfs/dbraw/zinc/51/01/38/1127510138.db2.gz YRLVBHHIDSIZEE-SFHVURJKSA-N 1 1 291.398 3.731 20 30 CHEDMO CC[NH+](CC)C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360830639 1127513416 /nfs/dbraw/zinc/51/34/16/1127513416.db2.gz DNMUZKCFYVRPMP-BEFAXECRSA-N 1 1 299.462 3.646 20 30 CHEDMO CCCC[N@H+](C)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360823392 1127513462 /nfs/dbraw/zinc/51/34/62/1127513462.db2.gz VMRMRXBFCQWNGU-IBGZPJMESA-N 1 1 299.462 3.647 20 30 CHEDMO CCCC[N@@H+](C)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360823392 1127513464 /nfs/dbraw/zinc/51/34/64/1127513464.db2.gz VMRMRXBFCQWNGU-IBGZPJMESA-N 1 1 299.462 3.647 20 30 CHEDMO CC[NH+](CC)[C@@H](C)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360869959 1127516504 /nfs/dbraw/zinc/51/65/04/1127516504.db2.gz FLLJFNHSPUWMEY-KXBFYZLASA-N 1 1 299.462 3.646 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000596979044 1127522756 /nfs/dbraw/zinc/52/27/56/1127522756.db2.gz GECSWDNFGBAMQR-UHFFFAOYSA-N 1 1 254.377 3.616 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCC1(F)F ZINC000597133221 1127528657 /nfs/dbraw/zinc/52/86/57/1127528657.db2.gz QPASACKYIRQUPH-ZDUSSCGKSA-N 1 1 290.357 3.719 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCC1(F)F ZINC000597133220 1127528879 /nfs/dbraw/zinc/52/88/79/1127528879.db2.gz QPASACKYIRQUPH-CYBMUJFWSA-N 1 1 290.357 3.719 20 30 CHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)CC#N)c2C1 ZINC000597121877 1127528924 /nfs/dbraw/zinc/52/89/24/1127528924.db2.gz SUCQYIHIDLKWRC-AWEZNQCLSA-N 1 1 299.418 3.537 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3CCSC[C@H]3C3CC3)cc2)CC1 ZINC000597137355 1127529484 /nfs/dbraw/zinc/52/94/84/1127529484.db2.gz GAOSBVNDQYXMHZ-KRWDZBQOSA-N 1 1 298.455 3.569 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000360983508 1127526051 /nfs/dbraw/zinc/52/60/51/1127526051.db2.gz BDOPJRXMOPYSEL-RTBURBONSA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000360983508 1127526054 /nfs/dbraw/zinc/52/60/54/1127526054.db2.gz BDOPJRXMOPYSEL-RTBURBONSA-N 1 1 291.398 3.662 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000597159688 1127530622 /nfs/dbraw/zinc/53/06/22/1127530622.db2.gz QKBQBJDFYRVGSX-WMZOPIPTSA-N 1 1 284.403 3.744 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc12 ZINC000597174446 1127531201 /nfs/dbraw/zinc/53/12/01/1127531201.db2.gz QTEWGIYMORXLQO-OAHLLOKOSA-N 1 1 294.398 3.974 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000597177544 1127532301 /nfs/dbraw/zinc/53/23/01/1127532301.db2.gz OUPCTHQZNBPQPG-AWEZNQCLSA-N 1 1 254.377 3.690 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232868 1127535921 /nfs/dbraw/zinc/53/59/21/1127535921.db2.gz XALQASZXLNDYAW-AWEZNQCLSA-N 1 1 282.309 3.749 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232868 1127535924 /nfs/dbraw/zinc/53/59/24/1127535924.db2.gz 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C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000602475322 1127580633 /nfs/dbraw/zinc/58/06/33/1127580633.db2.gz SVAPXTVROJUDMI-AEFFLSMTSA-N 1 1 285.435 3.527 20 30 CHEDMO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](C)CCC#N)c1 ZINC000602450445 1127580974 /nfs/dbraw/zinc/58/09/74/1127580974.db2.gz VYROSLFAHNOTPV-NVXWUHKLSA-N 1 1 286.419 3.642 20 30 CHEDMO COc1cc(C)c([C@H](C)[N@H+](C)[C@H](C)CC#N)cc1C ZINC000602460768 1127581712 /nfs/dbraw/zinc/58/17/12/1127581712.db2.gz CCJGEBQJSWSROJ-KGLIPLIRSA-N 1 1 260.381 3.607 20 30 CHEDMO COc1cc(C)c([C@H](C)[N@@H+](C)[C@H](C)CC#N)cc1C ZINC000602460768 1127581716 /nfs/dbraw/zinc/58/17/16/1127581716.db2.gz CCJGEBQJSWSROJ-KGLIPLIRSA-N 1 1 260.381 3.607 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000602475746 1127581919 /nfs/dbraw/zinc/58/19/19/1127581919.db2.gz JVWJGRYWHLCAHZ-WBVHZDCISA-N 1 1 256.393 3.590 20 30 CHEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](C)CCC#N)CCC2 ZINC000602476832 1127582284 /nfs/dbraw/zinc/58/22/84/1127582284.db2.gz 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CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H](C)CCC#N ZINC000602614966 1127597640 /nfs/dbraw/zinc/59/76/40/1127597640.db2.gz CBBYCVBBQUJIOT-IAGOWNOFSA-N 1 1 285.435 3.527 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](C)CCC#N ZINC000602656893 1127602647 /nfs/dbraw/zinc/60/26/47/1127602647.db2.gz VDGLOIKZZRLRKW-INIZCTEOSA-N 1 1 288.439 3.782 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000602655529 1127602913 /nfs/dbraw/zinc/60/29/13/1127602913.db2.gz VQBOAFNDYNGIND-OAHLLOKOSA-N 1 1 254.377 3.716 20 30 CHEDMO Cc1ncc([C@H](C)[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000602691978 1127605055 /nfs/dbraw/zinc/60/50/55/1127605055.db2.gz JWQAWALLZYKOOO-KBPBESRZSA-N 1 1 294.402 3.719 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000602690775 1127605142 /nfs/dbraw/zinc/60/51/42/1127605142.db2.gz OHVRODSIVPZNPP-WMZOPIPTSA-N 1 1 298.430 3.780 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000602713548 1127608005 /nfs/dbraw/zinc/60/80/05/1127608005.db2.gz 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CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000598588664 1127626435 /nfs/dbraw/zinc/62/64/35/1127626435.db2.gz APYYTMDCNUSQKJ-IRXDYDNUSA-N 1 1 292.467 3.722 20 30 CHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585276 1127626492 /nfs/dbraw/zinc/62/64/92/1127626492.db2.gz BLBHFRXHSLQEHO-WFASDCNBSA-N 1 1 294.826 3.634 20 30 CHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594195 1127627424 /nfs/dbraw/zinc/62/74/24/1127627424.db2.gz ZJEPZFAELNIZTL-HOTGVXAUSA-N 1 1 280.456 3.578 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000598650626 1127630447 /nfs/dbraw/zinc/63/04/47/1127630447.db2.gz TYEPPRBAYQJIMC-AWEZNQCLSA-N 1 1 262.356 3.944 20 30 CHEDMO CCCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000598674196 1127632628 /nfs/dbraw/zinc/63/26/28/1127632628.db2.gz NHWUMSUDPPNZHD-CYBMUJFWSA-N 1 1 262.422 3.826 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168414353 1127646980 /nfs/dbraw/zinc/64/69/80/1127646980.db2.gz PIEWTEJDSVZTDG-MRXNPFEDSA-N 1 1 278.827 3.648 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168414353 1127646982 /nfs/dbraw/zinc/64/69/82/1127646982.db2.gz PIEWTEJDSVZTDG-MRXNPFEDSA-N 1 1 278.827 3.648 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1F ZINC000593666013 1127651331 /nfs/dbraw/zinc/65/13/31/1127651331.db2.gz JLSSDVGZQGPSJG-HNNXBMFYSA-N 1 1 258.296 3.531 20 30 CHEDMO C[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)c1ccc(F)cc1 ZINC000593697041 1127661255 /nfs/dbraw/zinc/66/12/55/1127661255.db2.gz KMDRWIJXTPQBDX-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)c1ccc(F)cc1 ZINC000593697041 1127661258 /nfs/dbraw/zinc/66/12/58/1127661258.db2.gz KMDRWIJXTPQBDX-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000363102775 1127661316 /nfs/dbraw/zinc/66/13/16/1127661316.db2.gz VGRQDOUPYWVWGR-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000363102775 1127661318 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Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1C#N ZINC000599426922 1127671863 /nfs/dbraw/zinc/67/18/63/1127671863.db2.gz VVTVUANCGYFIQC-QGZVFWFLSA-N 1 1 291.398 3.641 20 30 CHEDMO CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)C[C@H](C)C#N ZINC000171065536 1127681990 /nfs/dbraw/zinc/68/19/90/1127681990.db2.gz WLCVQTAEBKSJMB-CYBMUJFWSA-N 1 1 274.408 3.806 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603889859 1127680564 /nfs/dbraw/zinc/68/05/64/1127680564.db2.gz ABCVBQOKMWLAHA-OAHLLOKOSA-N 1 1 267.376 3.651 20 30 CHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678466 1127688117 /nfs/dbraw/zinc/68/81/17/1127688117.db2.gz RDJKWIUGBCOIEE-ZDUSSCGKSA-N 1 1 292.373 3.792 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000605740687 1127746558 /nfs/dbraw/zinc/74/65/58/1127746558.db2.gz NGVDTKPXLNVGHH-UHFFFAOYSA-N 1 1 287.432 3.707 20 30 CHEDMO C=CCCC[N@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000605740687 1127746561 /nfs/dbraw/zinc/74/65/61/1127746561.db2.gz NGVDTKPXLNVGHH-UHFFFAOYSA-N 1 1 287.432 3.707 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000605738754 1127746909 /nfs/dbraw/zinc/74/69/09/1127746909.db2.gz IBTDPBFXPQEDHE-UHFFFAOYSA-N 1 1 295.810 3.899 20 30 CHEDMO C=CCC[C@H](CC)[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000366486793 1127747099 /nfs/dbraw/zinc/74/70/99/1127747099.db2.gz YGYVXFWOGWSABB-JTQLQIEISA-N 1 1 285.338 3.721 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367166387 1127750989 /nfs/dbraw/zinc/75/09/89/1127750989.db2.gz ZPGCBMIBXQKFCX-QGZVFWFLSA-N 1 1 274.383 3.887 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368187179 1127756697 /nfs/dbraw/zinc/75/66/97/1127756697.db2.gz DFQKKTBZTPZDKH-JTQLQIEISA-N 1 1 299.237 3.951 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368187179 1127756700 /nfs/dbraw/zinc/75/67/00/1127756700.db2.gz DFQKKTBZTPZDKH-JTQLQIEISA-N 1 1 299.237 3.951 20 30 CHEDMO CC(C)SCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000409446580 1127768014 /nfs/dbraw/zinc/76/80/14/1127768014.db2.gz 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Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000171589069 1128065470 /nfs/dbraw/zinc/06/54/70/1128065470.db2.gz ADVHISSMLGFKSL-LBPRGKRZSA-N 1 1 285.416 3.825 20 30 CHEDMO C=CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000669934879 1128069114 /nfs/dbraw/zinc/06/91/14/1128069114.db2.gz WROBPLUPYJNLOV-LLVKDONJSA-N 1 1 291.395 3.913 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000669934879 1128069119 /nfs/dbraw/zinc/06/91/19/1128069119.db2.gz WROBPLUPYJNLOV-LLVKDONJSA-N 1 1 291.395 3.913 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000470773950 1128076739 /nfs/dbraw/zinc/07/67/39/1128076739.db2.gz QNWXSYHDXOBULB-INIZCTEOSA-N 1 1 291.410 3.988 20 30 CHEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000470771786 1128076964 /nfs/dbraw/zinc/07/69/64/1128076964.db2.gz HFUMFVDZGLRHAL-SJORKVTESA-N 1 1 273.420 3.766 20 30 CHEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000470771783 1128077090 /nfs/dbraw/zinc/07/70/90/1128077090.db2.gz 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CC[C@@H](NC[C@H](C(C)C)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000579915765 1118159265 /nfs/dbraw/zinc/15/92/65/1118159265.db2.gz QTSMCMDIXKDCBS-RTBURBONSA-N 1 1 299.462 3.719 20 30 CHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C#N)c1)CCC2 ZINC000171974879 1118163584 /nfs/dbraw/zinc/16/35/84/1118163584.db2.gz ZTMGAYDATCADJU-INIZCTEOSA-N 1 1 297.427 3.833 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000165436046 1118269615 /nfs/dbraw/zinc/26/96/15/1118269615.db2.gz RDXKHGYEVYCZDV-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C=CCOCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001167337391 1118325735 /nfs/dbraw/zinc/32/57/35/1118325735.db2.gz PHIDVQDKBQUOSE-UHFFFAOYSA-N 1 1 273.420 3.676 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000683785710 1118365284 /nfs/dbraw/zinc/36/52/84/1118365284.db2.gz OSAIUFFOPIJUGK-SJORKVTESA-N 1 1 265.441 3.871 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc2cnccc2c1 ZINC000683844227 1118406826 /nfs/dbraw/zinc/40/68/26/1118406826.db2.gz RKRPGPVEUKPUPY-QGZVFWFLSA-N 1 1 252.361 3.775 20 30 CHEDMO Cc1ccc(-c2nc(CO[NH+]=C(N)CC(C)C)cs2)o1 ZINC000049441880 1118428234 /nfs/dbraw/zinc/42/82/34/1118428234.db2.gz AVERPLVKZSBNBU-UHFFFAOYSA-N 1 1 293.392 3.546 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1[C@H](O)CC ZINC001657389449 1118454927 /nfs/dbraw/zinc/45/49/27/1118454927.db2.gz JEDVETQNOOMRNU-HZPDHXFCSA-N 1 1 255.446 3.972 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc2ccccc2[nH]1 ZINC000684022829 1118490752 /nfs/dbraw/zinc/49/07/52/1118490752.db2.gz JZWPWQVDRCCDET-UHFFFAOYSA-N 1 1 280.371 3.992 20 30 CHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC#N)cc1 ZINC000057590757 1118494456 /nfs/dbraw/zinc/49/44/56/1118494456.db2.gz RDEGLWRKVURCOQ-MRXNPFEDSA-N 1 1 258.365 3.526 20 30 CHEDMO N#CCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000057606971 1118494771 /nfs/dbraw/zinc/49/47/71/1118494771.db2.gz JHRDBXCIPDVQOO-UHFFFAOYSA-N 1 1 293.208 3.542 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1Br ZINC000088162716 1118507913 /nfs/dbraw/zinc/50/79/13/1118507913.db2.gz CFCNDOUBXPTTFA-VIFPVBQESA-N 1 1 274.589 3.852 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352400333 1118510566 /nfs/dbraw/zinc/51/05/66/1118510566.db2.gz XIKRYUMCHZOXHF-JSGCOSHPSA-N 1 1 267.804 3.528 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccccc2F)cc1 ZINC000160727321 1118533563 /nfs/dbraw/zinc/53/35/63/1118533563.db2.gz QJNVQNLAELMKDF-CQSZACIVSA-N 1 1 298.361 3.749 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000160727321 1118533566 /nfs/dbraw/zinc/53/35/66/1118533566.db2.gz QJNVQNLAELMKDF-CQSZACIVSA-N 1 1 298.361 3.749 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1nccs1 ZINC000334241015 1118547335 /nfs/dbraw/zinc/54/73/35/1118547335.db2.gz WDELVCYISWSBBO-XHDPSFHLSA-N 1 1 283.400 3.743 20 30 CHEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000135155333 1118583339 /nfs/dbraw/zinc/58/33/39/1118583339.db2.gz CONHHQJXXMBOJO-OAHLLOKOSA-N 1 1 284.359 3.856 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000380386294 1118610730 /nfs/dbraw/zinc/61/07/30/1118610730.db2.gz YPFPGLAECAEWJI-LLVKDONJSA-N 1 1 280.824 3.539 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000341208184 1118621699 /nfs/dbraw/zinc/62/16/99/1118621699.db2.gz KYESTAZSSHKUPX-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001204568376 1118663957 /nfs/dbraw/zinc/66/39/57/1118663957.db2.gz ACGLSKKUKKWHSX-NSHDSACASA-N 1 1 268.187 3.839 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001204568376 1118663958 /nfs/dbraw/zinc/66/39/58/1118663958.db2.gz ACGLSKKUKKWHSX-NSHDSACASA-N 1 1 268.187 3.839 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1C ZINC000933490787 1118706314 /nfs/dbraw/zinc/70/63/14/1118706314.db2.gz GOQPOYRQPHBLLH-CYBMUJFWSA-N 1 1 298.361 3.865 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167486984 1118713933 /nfs/dbraw/zinc/71/39/33/1118713933.db2.gz CYHWRJAFLVNBHY-INIZCTEOSA-N 1 1 261.796 3.812 20 30 CHEDMO CC(C)(C)c1nc(C[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000077170698 1128796545 /nfs/dbraw/zinc/79/65/45/1128796545.db2.gz NPWPWQXUCZBNRQ-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO C#CCCCCCC[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001167490496 1118751801 /nfs/dbraw/zinc/75/18/01/1118751801.db2.gz CCYKRVSYTUYSEP-NVXWUHKLSA-N 1 1 265.441 3.706 20 30 CHEDMO N#CCC1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000430751189 1118766958 /nfs/dbraw/zinc/76/69/58/1118766958.db2.gz SZFCEVAPXZMVMM-KRWDZBQOSA-N 1 1 295.361 3.594 20 30 CHEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000430881150 1118781861 /nfs/dbraw/zinc/78/18/61/1118781861.db2.gz YPGMZRPLAHMLQX-OAHLLOKOSA-N 1 1 284.403 3.767 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)cc(Cl)n1 ZINC000933769873 1118792658 /nfs/dbraw/zinc/79/26/58/1118792658.db2.gz CBHQEDJDMMRTJM-UHFFFAOYSA-N 1 1 291.807 3.609 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cc(Cl)n1 ZINC000933769873 1118792659 /nfs/dbraw/zinc/79/26/59/1118792659.db2.gz CBHQEDJDMMRTJM-UHFFFAOYSA-N 1 1 291.807 3.609 20 30 CHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC(C)(C)OC1(C)C ZINC000933770647 1118793174 /nfs/dbraw/zinc/79/31/74/1118793174.db2.gz QJIVCTCUVPQXDO-ZDUSSCGKSA-N 1 1 292.448 3.645 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933769948 1118793542 /nfs/dbraw/zinc/79/35/42/1118793542.db2.gz HYEGWTAFVUAXND-UHFFFAOYSA-N 1 1 295.411 3.740 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(CF)cc1 ZINC000933773853 1118794602 /nfs/dbraw/zinc/79/46/02/1118794602.db2.gz RWBJNPKOUURXBR-UHFFFAOYSA-N 1 1 274.364 3.721 20 30 CHEDMO CCc1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341713333 1118809831 /nfs/dbraw/zinc/80/98/31/1118809831.db2.gz ZONXUTIWXFDQPF-MRXNPFEDSA-N 1 1 297.427 3.744 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(F)c(F)ccc1OC ZINC001143413645 1118833417 /nfs/dbraw/zinc/83/34/17/1118833417.db2.gz UOBKONLWBXXNNF-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(F)c(F)ccc1OC ZINC001143413645 1118833420 /nfs/dbraw/zinc/83/34/20/1118833420.db2.gz UOBKONLWBXXNNF-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)ccc1F ZINC000610719323 1118839263 /nfs/dbraw/zinc/83/92/63/1118839263.db2.gz JRFCHCLNWNTVMR-GOSISDBHSA-N 1 1 296.345 3.740 20 30 CHEDMO C/C(=C/c1ccccc1)C[N@H+](CCC#N)CC1CC1 ZINC000093091450 1118856806 /nfs/dbraw/zinc/85/68/06/1118856806.db2.gz CIEUOWLMCMUBFX-QINSGFPZSA-N 1 1 254.377 3.716 20 30 CHEDMO C/C(=C/c1ccccc1)C[N@@H+](CCC#N)CC1CC1 ZINC000093091450 1118856809 /nfs/dbraw/zinc/85/68/09/1118856809.db2.gz CIEUOWLMCMUBFX-QINSGFPZSA-N 1 1 254.377 3.716 20 30 CHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000131722287 1118871491 /nfs/dbraw/zinc/87/14/91/1118871491.db2.gz KSYSGTXRPXYXHV-KRWDZBQOSA-N 1 1 285.435 3.829 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC001167497332 1118905065 /nfs/dbraw/zinc/90/50/65/1118905065.db2.gz VUMTXFBRYGUPFU-QGZVFWFLSA-N 1 1 288.460 3.749 20 30 CHEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000181292503 1118910775 /nfs/dbraw/zinc/91/07/75/1118910775.db2.gz MGLMAAVJJUGNHU-NSHDSACASA-N 1 1 291.782 3.959 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000181292503 1118910781 /nfs/dbraw/zinc/91/07/81/1118910781.db2.gz MGLMAAVJJUGNHU-NSHDSACASA-N 1 1 291.782 3.959 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000181279583 1118911144 /nfs/dbraw/zinc/91/11/44/1118911144.db2.gz HWMHFFSQJSIXNO-UHFFFAOYSA-N 1 1 299.393 3.508 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000181279583 1118911147 /nfs/dbraw/zinc/91/11/47/1118911147.db2.gz HWMHFFSQJSIXNO-UHFFFAOYSA-N 1 1 299.393 3.508 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000150876898 1118917013 /nfs/dbraw/zinc/91/70/13/1118917013.db2.gz OTLKVPPCBYDMJU-UHFFFAOYSA-N 1 1 274.408 3.823 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993824 1118917789 /nfs/dbraw/zinc/91/77/89/1118917789.db2.gz KCOCKBUMKANJTL-ACJLOTCBSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993824 1118917792 /nfs/dbraw/zinc/91/77/92/1118917792.db2.gz KCOCKBUMKANJTL-ACJLOTCBSA-N 1 1 295.361 3.675 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)ccn1 ZINC000610993490 1118918722 /nfs/dbraw/zinc/91/87/22/1118918722.db2.gz UOEQAFVPQIRZJW-MRXNPFEDSA-N 1 1 281.359 3.664 20 30 CHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C[C@@H]1OC ZINC000538797739 1118951992 /nfs/dbraw/zinc/95/19/92/1118951992.db2.gz WUXIJYHKASKFKD-CABCVRRESA-N 1 1 292.448 3.645 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167522198 1118987142 /nfs/dbraw/zinc/98/71/42/1118987142.db2.gz UTZDTKMKWZYXBS-HNNXBMFYSA-N 1 1 298.471 3.898 20 30 CHEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000934298127 1119013326 /nfs/dbraw/zinc/01/33/26/1119013326.db2.gz VCFKYYCIMXXJEY-LLVKDONJSA-N 1 1 280.824 3.539 20 30 CHEDMO CC[N@@H+](Cc1cccc(O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119873535 1119018972 /nfs/dbraw/zinc/01/89/72/1119018972.db2.gz MNJVBCMVHKVXMB-AWEZNQCLSA-N 1 1 280.371 3.847 20 30 CHEDMO C=C(Br)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180870731 1128817418 /nfs/dbraw/zinc/81/74/18/1128817418.db2.gz SKCIUFXJNOJHPZ-UHFFFAOYSA-N 1 1 290.151 3.698 20 30 CHEDMO CCCC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000540595030 1119048155 /nfs/dbraw/zinc/04/81/55/1119048155.db2.gz SISKCAMMBZJIBR-VQIMIIECSA-N 1 1 299.462 3.863 20 30 CHEDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000540595030 1119048159 /nfs/dbraw/zinc/04/81/59/1119048159.db2.gz SISKCAMMBZJIBR-VQIMIIECSA-N 1 1 299.462 3.863 20 30 CHEDMO CSc1ccccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000355214111 1119052833 /nfs/dbraw/zinc/05/28/33/1119052833.db2.gz GRNCIFQUFDOHEI-UHFFFAOYSA-N 1 1 288.441 3.974 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000355214111 1119052836 /nfs/dbraw/zinc/05/28/36/1119052836.db2.gz GRNCIFQUFDOHEI-UHFFFAOYSA-N 1 1 288.441 3.974 20 30 CHEDMO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(C#N)cc1 ZINC000338349649 1119064542 /nfs/dbraw/zinc/06/45/42/1119064542.db2.gz PCVHNMIWPIWPAX-GFCCVEGCSA-N 1 1 277.327 3.550 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1C(C)C ZINC000395784486 1119067371 /nfs/dbraw/zinc/06/73/71/1119067371.db2.gz OTMWPJLYVWYRDD-INIZCTEOSA-N 1 1 272.392 3.577 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000934459365 1119076771 /nfs/dbraw/zinc/07/67/71/1119076771.db2.gz JCVHXXMQTJBCKW-SFHVURJKSA-N 1 1 294.398 3.811 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000934473648 1119085169 /nfs/dbraw/zinc/08/51/69/1119085169.db2.gz ZJUNHCOUNDKCFS-CABCVRRESA-N 1 1 286.419 3.787 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000934473648 1119085172 /nfs/dbraw/zinc/08/51/72/1119085172.db2.gz ZJUNHCOUNDKCFS-CABCVRRESA-N 1 1 286.419 3.787 20 30 CHEDMO C=CCC[N@@H+](C)Cc1csc(CCC(C)C)n1 ZINC000342727508 1119143841 /nfs/dbraw/zinc/14/38/41/1119143841.db2.gz UPIDDTFNSKVIMZ-UHFFFAOYSA-N 1 1 252.427 3.740 20 30 CHEDMO C=CCC[N@H+](C)Cc1csc(CCC(C)C)n1 ZINC000342727508 1119143842 /nfs/dbraw/zinc/14/38/42/1119143842.db2.gz UPIDDTFNSKVIMZ-UHFFFAOYSA-N 1 1 252.427 3.740 20 30 CHEDMO CCC[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCCCO1 ZINC000342737645 1119149917 /nfs/dbraw/zinc/14/99/17/1119149917.db2.gz RDBSBOHUPATCQJ-SFHVURJKSA-N 1 1 286.419 3.534 20 30 CHEDMO C[C@H]1SCC[N@@H+](CCCCC#N)[C@H]1c1ccccc1 ZINC000118423003 1119185731 /nfs/dbraw/zinc/18/57/31/1119185731.db2.gz QVKZAMWDTYYYHF-GDBMZVCRSA-N 1 1 274.433 3.859 20 30 CHEDMO C[C@@H](Cc1cccs1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC001167607744 1119186803 /nfs/dbraw/zinc/18/68/03/1119186803.db2.gz AEGNSLVEHCUAQT-NFOMZHRRSA-N 1 1 276.449 3.941 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140604308 1119252415 /nfs/dbraw/zinc/25/24/15/1119252415.db2.gz YZYJUFSCDWIXOL-UHFFFAOYSA-N 1 1 262.784 4.000 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000091514743 1119263825 /nfs/dbraw/zinc/26/38/25/1119263825.db2.gz UQYGMLUWAFUYMR-CQSZACIVSA-N 1 1 271.408 3.750 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000052038419 1119270824 /nfs/dbraw/zinc/27/08/24/1119270824.db2.gz GQTPCOUXHBZGIN-LBPRGKRZSA-N 1 1 280.774 3.790 20 30 CHEDMO CC#CCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000155389509 1119331663 /nfs/dbraw/zinc/33/16/63/1119331663.db2.gz VRTKKFZQEYSJHL-INIZCTEOSA-N 1 1 295.386 3.677 20 30 CHEDMO CC#CCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000155389509 1119331666 /nfs/dbraw/zinc/33/16/66/1119331666.db2.gz VRTKKFZQEYSJHL-INIZCTEOSA-N 1 1 295.386 3.677 20 30 CHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc2ccccc21 ZINC000098068903 1119345714 /nfs/dbraw/zinc/34/57/14/1119345714.db2.gz LNJQVHOURRDFDA-UHFFFAOYSA-N 1 1 282.387 3.676 20 30 CHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc2ccccc21 ZINC000098068903 1119345715 /nfs/dbraw/zinc/34/57/15/1119345715.db2.gz LNJQVHOURRDFDA-UHFFFAOYSA-N 1 1 282.387 3.676 20 30 CHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000572962245 1119348622 /nfs/dbraw/zinc/34/86/22/1119348622.db2.gz YHFBDQFENVQSPL-GOSISDBHSA-N 1 1 298.361 3.888 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000161739433 1119366478 /nfs/dbraw/zinc/36/64/78/1119366478.db2.gz YFFICQYZPVBZHN-MRVPVSSYSA-N 1 1 292.579 3.991 20 30 CHEDMO C=CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccco1 ZINC000583515641 1119371221 /nfs/dbraw/zinc/37/12/21/1119371221.db2.gz LNGJMXBQROPCEZ-SJORKVTESA-N 1 1 290.451 3.997 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000728569824 1119376674 /nfs/dbraw/zinc/37/66/74/1119376674.db2.gz PHNGHJCRJLYWAU-SFHVURJKSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000728569824 1119376677 /nfs/dbraw/zinc/37/66/77/1119376677.db2.gz PHNGHJCRJLYWAU-SFHVURJKSA-N 1 1 296.345 3.740 20 30 CHEDMO N#CC1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000343302856 1119380527 /nfs/dbraw/zinc/38/05/27/1119380527.db2.gz MXHBFHQYNXEMRF-UHFFFAOYSA-N 1 1 280.293 3.588 20 30 CHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343323263 1119384977 /nfs/dbraw/zinc/38/49/77/1119384977.db2.gz UMHQZIHXANAXQX-GFCCVEGCSA-N 1 1 262.784 3.507 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000246004326 1119387771 /nfs/dbraw/zinc/38/77/71/1119387771.db2.gz JOGVDOYEGYSYQM-HIFRSBDPSA-N 1 1 273.376 3.753 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2ccc(C)cc2c1)[C@H](C)COC ZINC000661239497 1119410750 /nfs/dbraw/zinc/41/07/50/1119410750.db2.gz GUAYROJSQJLLAZ-OAHLLOKOSA-N 1 1 284.403 3.566 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247364900 1119428101 /nfs/dbraw/zinc/42/81/01/1119428101.db2.gz HLLICHYNPFJCQZ-UONOGXRCSA-N 1 1 283.799 3.700 20 30 CHEDMO C=CCC[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000343490760 1119433574 /nfs/dbraw/zinc/43/35/74/1119433574.db2.gz LUNCRUFJLIYATE-UHFFFAOYSA-N 1 1 250.411 3.809 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OC(F)(F)F)c1 ZINC000343568093 1119455967 /nfs/dbraw/zinc/45/59/67/1119455967.db2.gz YLPODZGOAMHKGK-JTQLQIEISA-N 1 1 284.281 3.540 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2ccncc2)cc1 ZINC000343588583 1119464403 /nfs/dbraw/zinc/46/44/03/1119464403.db2.gz 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C=CCCCCC[N@H+](C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000502889584 1122153379 /nfs/dbraw/zinc/15/33/79/1122153379.db2.gz CKMOMQHGKWEZOY-AWEZNQCLSA-N 1 1 299.418 3.812 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001182795503 1122186870 /nfs/dbraw/zinc/18/68/70/1122186870.db2.gz CZMYEQREHZZVNF-MRXNPFEDSA-N 1 1 272.436 3.849 20 30 CHEDMO Cc1cccc2c1CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000774603400 1122212944 /nfs/dbraw/zinc/21/29/44/1122212944.db2.gz RMCSXAYEWWZRCU-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000774603400 1122212950 /nfs/dbraw/zinc/21/29/50/1122212950.db2.gz RMCSXAYEWWZRCU-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO C[N@@H+](Cc1csc(C#N)c1)Cc1ccc2cc[nH]c2c1 ZINC001183470869 1122225159 /nfs/dbraw/zinc/22/51/59/1122225159.db2.gz DPQWPUYZVSWIBN-UHFFFAOYSA-N 1 1 281.384 3.733 20 30 CHEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OCC ZINC001183551671 1122228011 /nfs/dbraw/zinc/22/80/11/1122228011.db2.gz 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CHEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436289195 1122533110 /nfs/dbraw/zinc/53/31/10/1122533110.db2.gz MEACUJSBFKVAND-RDJZCZTQSA-N 1 1 264.457 3.728 20 30 CHEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436289195 1122533111 /nfs/dbraw/zinc/53/31/11/1122533111.db2.gz MEACUJSBFKVAND-RDJZCZTQSA-N 1 1 264.457 3.728 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000775399424 1122545499 /nfs/dbraw/zinc/54/54/99/1122545499.db2.gz RFMSARCUUFSQCP-SFHVURJKSA-N 1 1 278.330 3.552 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](CCCC)Cc1ccccc1F ZINC001190752571 1122553387 /nfs/dbraw/zinc/55/33/87/1122553387.db2.gz LPMQVCFLQOLMAD-MRXNPFEDSA-N 1 1 279.399 3.755 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505872542 1122578292 /nfs/dbraw/zinc/57/82/92/1122578292.db2.gz OELLFJFKQXRDQT-LBPRGKRZSA-N 1 1 264.438 3.666 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000505872542 1122578297 /nfs/dbraw/zinc/57/82/97/1122578297.db2.gz 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CCC1([NH+]2CCCCC2)CCN(C[C@@H](C)CCC#N)CC1 ZINC000895554213 1123491140 /nfs/dbraw/zinc/49/11/40/1123491140.db2.gz SVLFTFIPLUBUQO-KRWDZBQOSA-N 1 1 291.483 3.657 20 30 CHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428293551 1123499862 /nfs/dbraw/zinc/49/98/62/1123499862.db2.gz BYRFXSLSQQGXLL-LBPRGKRZSA-N 1 1 254.308 3.548 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000776793844 1123505896 /nfs/dbraw/zinc/50/58/96/1123505896.db2.gz YZVCWYMPXOVWNI-KRWDZBQOSA-N 1 1 281.359 3.500 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000776793844 1123505898 /nfs/dbraw/zinc/50/58/98/1123505898.db2.gz YZVCWYMPXOVWNI-KRWDZBQOSA-N 1 1 281.359 3.500 20 30 CHEDMO FC(F)(F)c1ccc(Cl)c(C=NNc2cc[nH+]cc2)c1 ZINC000779809053 1129126897 /nfs/dbraw/zinc/12/68/97/1129126897.db2.gz SODOKMXAQQPPHR-UHFFFAOYSA-N 1 1 299.683 3.622 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1ccc(SC(F)F)cc1 ZINC000779809368 1129126579 /nfs/dbraw/zinc/12/65/79/1129126579.db2.gz XPXBNEYFGJENBJ-UHFFFAOYSA-N 1 1 293.342 3.654 20 30 CHEDMO CCc1c2cc(C)ccc2oc1C(C)=NNc1cc[nH+]cc1 ZINC000779809090 1129127247 /nfs/dbraw/zinc/12/72/47/1129127247.db2.gz LBTUPLZDEYFBKZ-UHFFFAOYSA-N 1 1 293.370 3.957 20 30 CHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000895937599 1123533558 /nfs/dbraw/zinc/53/35/58/1123533558.db2.gz UPIQTELQIUGGAO-LBPRGKRZSA-N 1 1 289.423 3.607 20 30 CHEDMO CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856477033 1123561631 /nfs/dbraw/zinc/56/16/31/1123561631.db2.gz LNPSLJBHCWZILP-KRWDZBQOSA-N 1 1 294.483 3.585 20 30 CHEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCOCCC#N ZINC000338997514 1123563567 /nfs/dbraw/zinc/56/35/67/1123563567.db2.gz NMELLSNEACMFKG-MRXNPFEDSA-N 1 1 294.826 3.899 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000896232644 1123563775 /nfs/dbraw/zinc/56/37/75/1123563775.db2.gz PQHQOXNDLGPLBL-AEFFLSMTSA-N 1 1 268.404 3.590 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896227844 1123563973 /nfs/dbraw/zinc/56/39/73/1123563973.db2.gz PITNAXVIUWNHEQ-CQSZACIVSA-N 1 1 297.295 3.534 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000157683865 1129132113 /nfs/dbraw/zinc/13/21/13/1129132113.db2.gz MGHKJLXEVDYWPU-HNNXBMFYSA-N 1 1 272.392 3.601 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(C)(C)C#N ZINC000157674745 1129132165 /nfs/dbraw/zinc/13/21/65/1129132165.db2.gz HAAKOIZXCCVNTN-CYBMUJFWSA-N 1 1 262.422 3.997 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000339009367 1123627658 /nfs/dbraw/zinc/62/76/58/1123627658.db2.gz BFAIWRMUODBZRE-HIFRSBDPSA-N 1 1 263.381 3.564 20 30 CHEDMO C#CC[C@@H]([NH2+][C@H]1CCCc2scnc21)c1ccccc1 ZINC000858382074 1123649440 /nfs/dbraw/zinc/64/94/40/1123649440.db2.gz KJKMYVQQKDONFU-CABCVRRESA-N 1 1 282.412 3.875 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(C#N)c(F)c1 ZINC000346149682 1123667530 /nfs/dbraw/zinc/66/75/30/1123667530.db2.gz DILVTMNRXLCHOB-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO CC(C)C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000346267080 1123677377 /nfs/dbraw/zinc/67/73/77/1123677377.db2.gz SRPHUPZLBUKBRT-GOSISDBHSA-N 1 1 286.419 3.585 20 30 CHEDMO CC(C)C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000346267082 1123677420 /nfs/dbraw/zinc/67/74/20/1123677420.db2.gz SRPHUPZLBUKBRT-SFHVURJKSA-N 1 1 286.419 3.585 20 30 CHEDMO Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1C#N ZINC000859235306 1123692319 /nfs/dbraw/zinc/69/23/19/1123692319.db2.gz NEVJRQHXHUANHZ-UHFFFAOYSA-N 1 1 280.346 3.785 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccccc1OCc1ccccn1 ZINC000158129971 1129139492 /nfs/dbraw/zinc/13/94/92/1129139492.db2.gz RVULWWZNUGLTJZ-UHFFFAOYSA-N 1 1 294.398 3.835 20 30 CHEDMO CC[N@H+](CCC#N)[C@@H](C)c1cccc(Br)c1 ZINC000346665787 1123705848 /nfs/dbraw/zinc/70/58/48/1123705848.db2.gz IKXMOTGBYUZJEA-NSHDSACASA-N 1 1 281.197 3.746 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H](C)c1cccc(Br)c1 ZINC000346665787 1123705851 /nfs/dbraw/zinc/70/58/51/1123705851.db2.gz IKXMOTGBYUZJEA-NSHDSACASA-N 1 1 281.197 3.746 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000522711937 1123719543 /nfs/dbraw/zinc/71/95/43/1123719543.db2.gz YACQYHPINXZJNM-CYBMUJFWSA-N 1 1 260.356 3.709 20 30 CHEDMO N#CCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000346838268 1123726122 /nfs/dbraw/zinc/72/61/22/1123726122.db2.gz RJIOJVSCJWGGPS-SFHVURJKSA-N 1 1 291.354 3.811 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000522776288 1123728031 /nfs/dbraw/zinc/72/80/31/1123728031.db2.gz WDMVIHCUDRXPDV-INIZCTEOSA-N 1 1 259.393 3.668 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ncc(-c2ccccc2F)o1 ZINC000158274853 1129143056 /nfs/dbraw/zinc/14/30/56/1129143056.db2.gz LVUDDGIOHROKAL-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ncc(-c2ccccc2F)o1 ZINC000158274853 1129143059 /nfs/dbraw/zinc/14/30/59/1129143059.db2.gz LVUDDGIOHROKAL-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccnc(F)c1C ZINC000862213725 1123793386 /nfs/dbraw/zinc/79/33/86/1123793386.db2.gz VHNJOEOJJCZXIF-UHFFFAOYSA-N 1 1 276.380 3.779 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(F)c1C ZINC000862213725 1123793387 /nfs/dbraw/zinc/79/33/87/1123793387.db2.gz VHNJOEOJJCZXIF-UHFFFAOYSA-N 1 1 276.380 3.779 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000862442490 1123809733 /nfs/dbraw/zinc/80/97/33/1123809733.db2.gz CSODIZURLCXXRI-LBPRGKRZSA-N 1 1 267.294 3.551 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000862445401 1123811074 /nfs/dbraw/zinc/81/10/74/1123811074.db2.gz SHVCWSIYYLYBHY-IYXRBSQSSA-N 1 1 273.342 3.700 20 30 CHEDMO N#Cc1csc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000862528776 1123816592 /nfs/dbraw/zinc/81/65/92/1123816592.db2.gz IQSHVWHULWCUPZ-RYQLBKOJSA-N 1 1 294.423 3.855 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C1 ZINC000186245809 1123817786 /nfs/dbraw/zinc/81/77/86/1123817786.db2.gz BGEONLXZMFUVHQ-DLBZAZTESA-N 1 1 288.460 3.973 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000862539766 1123818433 /nfs/dbraw/zinc/81/84/33/1123818433.db2.gz VCFVZAMUUIWNBK-HNNXBMFYSA-N 1 1 284.403 3.744 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000186247949 1123818937 /nfs/dbraw/zinc/81/89/37/1123818937.db2.gz XNAYLWHEYPDERL-IBGZPJMESA-N 1 1 293.414 3.932 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000186257657 1123820045 /nfs/dbraw/zinc/82/00/45/1123820045.db2.gz INLUSZPDNYJFSH-MRXNPFEDSA-N 1 1 298.411 3.502 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000186257657 1123820051 /nfs/dbraw/zinc/82/00/51/1123820051.db2.gz INLUSZPDNYJFSH-MRXNPFEDSA-N 1 1 298.411 3.502 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCSC1 ZINC000475286094 1123833669 /nfs/dbraw/zinc/83/36/69/1123833669.db2.gz IPPQJPOWPMLQDM-INIZCTEOSA-N 1 1 261.434 3.818 20 30 CHEDMO CC(=[NH+]n1cccn1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000863165777 1123848950 /nfs/dbraw/zinc/84/89/50/1123848950.db2.gz NRNCKNHVHYQDOP-OLZOCXBDSA-N 1 1 259.740 3.564 20 30 CHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000193042930 1123870891 /nfs/dbraw/zinc/87/08/91/1123870891.db2.gz MRPNSPGDBWLLMG-UHFFFAOYSA-N 1 1 290.410 3.981 20 30 CHEDMO COC1(CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCC1 ZINC000339059940 1123881539 /nfs/dbraw/zinc/88/15/39/1123881539.db2.gz CPWHDKLCQAZYAO-UHFFFAOYSA-N 1 1 296.414 3.607 20 30 CHEDMO COc1cccc2c(NCCCCC#N)cc(C)[nH+]c12 ZINC000301682974 1123923749 /nfs/dbraw/zinc/92/37/49/1123923749.db2.gz SNQWQMMJUBZFSZ-UHFFFAOYSA-N 1 1 269.348 3.658 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1SC ZINC000158990132 1129155876 /nfs/dbraw/zinc/15/58/76/1129155876.db2.gz SQRCDMWCYJIZGZ-UHFFFAOYSA-N 1 1 295.448 3.824 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cncc(Cl)c1 ZINC000621259320 1129157311 /nfs/dbraw/zinc/15/73/11/1129157311.db2.gz RMZZPYZARJOQCG-UHFFFAOYSA-N 1 1 252.789 3.913 20 30 CHEDMO CCc1[nH+]c(C)cn1Cc1ccccc1C(C)(C)C#N ZINC000865393438 1123979741 /nfs/dbraw/zinc/97/97/41/1123979741.db2.gz WDLFEDVEMDONRO-UHFFFAOYSA-N 1 1 267.376 3.603 20 30 CHEDMO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866216834 1124038631 /nfs/dbraw/zinc/03/86/31/1124038631.db2.gz VCMOVZSWICRRKR-QWHCGFSZSA-N 1 1 296.370 3.684 20 30 CHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1cccs1 ZINC000444594172 1124044640 /nfs/dbraw/zinc/04/46/40/1124044640.db2.gz LVGDSGVOBYRFMC-UHFFFAOYSA-N 1 1 294.464 3.917 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC000444659260 1124048907 /nfs/dbraw/zinc/04/89/07/1124048907.db2.gz HIKZMJVDKKZYGI-PBHICJAKSA-N 1 1 256.393 3.959 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2cn3ccsc3n2)CCCC1(C)C ZINC000444781946 1124059921 /nfs/dbraw/zinc/05/99/21/1124059921.db2.gz BQAZDWPRUATNFE-AWEZNQCLSA-N 1 1 289.448 3.963 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2cn3ccsc3n2)CCCC1(C)C ZINC000444781947 1124060039 /nfs/dbraw/zinc/06/00/39/1124060039.db2.gz BQAZDWPRUATNFE-CQSZACIVSA-N 1 1 289.448 3.963 20 30 CHEDMO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)CC1CCC1 ZINC000444769412 1124063058 /nfs/dbraw/zinc/06/30/58/1124063058.db2.gz 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C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000093441935 1129423525 /nfs/dbraw/zinc/42/35/25/1129423525.db2.gz HIVBBNFCJWYXAN-BHYGNILZSA-N 1 1 284.403 3.599 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CCC1 ZINC000093608306 1129426298 /nfs/dbraw/zinc/42/62/98/1129426298.db2.gz DFDQEIZPYZFWBB-AWEZNQCLSA-N 1 1 272.392 3.740 20 30 CHEDMO CCCCCCCCCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000741626562 1129446488 /nfs/dbraw/zinc/44/64/88/1129446488.db2.gz ZOCXAQUZTFKTCW-MRXNPFEDSA-N 1 1 282.472 3.680 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000829785646 1129449440 /nfs/dbraw/zinc/44/94/40/1129449440.db2.gz XJBUAYMNWXRVFC-KBPBESRZSA-N 1 1 274.408 3.768 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000741810250 1129453636 /nfs/dbraw/zinc/45/36/36/1129453636.db2.gz JKIMWGDCWYSBRF-OAHLLOKOSA-N 1 1 279.811 3.702 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000741797347 1129453811 /nfs/dbraw/zinc/45/38/11/1129453811.db2.gz KGNBHPGLKZMIMY-OAHLLOKOSA-N 1 1 292.382 3.536 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(OC)n1 ZINC001137533413 1131376216 /nfs/dbraw/zinc/37/62/16/1131376216.db2.gz UWTSPMRFNCLGEP-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C#CC[N@H+](CCC)Cc1ccc(OCCC)c(OCC)c1 ZINC000302844691 1129504310 /nfs/dbraw/zinc/50/43/10/1129504310.db2.gz AFRHOBLUIVIXAM-UHFFFAOYSA-N 1 1 289.419 3.719 20 30 CHEDMO C=C(C)C[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646128328 1129525288 /nfs/dbraw/zinc/52/52/88/1129525288.db2.gz VMWWPPQQSKZQQC-CYBMUJFWSA-N 1 1 264.438 3.679 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000743854224 1129539794 /nfs/dbraw/zinc/53/97/94/1129539794.db2.gz PTVLHPXLHQAHSW-HHXXYDBFSA-N 1 1 298.430 3.980 20 30 CHEDMO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000743855916 1129541377 /nfs/dbraw/zinc/54/13/77/1129541377.db2.gz BPTXIOXGIBDFQK-QMTHXVAHSA-N 1 1 253.748 3.961 20 30 CHEDMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000743855916 1129541380 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C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000414297462 1129581280 /nfs/dbraw/zinc/58/12/80/1129581280.db2.gz IEUCRRDXTCUWIR-DOTOQJQBSA-N 1 1 281.403 3.564 20 30 CHEDMO C=CCC[C@@H](C)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001258725879 1129583895 /nfs/dbraw/zinc/58/38/95/1129583895.db2.gz NZVCUTZNQQVERL-GFCCVEGCSA-N 1 1 286.341 3.929 20 30 CHEDMO Cc1nc(F)ccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000822525553 1131384565 /nfs/dbraw/zinc/38/45/65/1131384565.db2.gz HYYCWQLRGFAEFW-ZDUSSCGKSA-N 1 1 283.350 3.594 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC000822583143 1131385770 /nfs/dbraw/zinc/38/57/70/1131385770.db2.gz JNBHVNJBTHZPKG-UHFFFAOYSA-N 1 1 267.376 3.540 20 30 CHEDMO CCCCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC001137632681 1131387434 /nfs/dbraw/zinc/38/74/34/1131387434.db2.gz IQQYSKOXWGRTDC-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO FC(F)C(F)(F)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000191776138 1129641779 /nfs/dbraw/zinc/64/17/79/1129641779.db2.gz YDBXAWGAGZINRJ-UHFFFAOYSA-N 1 1 295.242 3.845 20 30 CHEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000649528078 1129655586 /nfs/dbraw/zinc/65/55/86/1129655586.db2.gz JCWRRYHOXMKTSQ-BBWFWOEESA-N 1 1 265.441 3.748 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000649702614 1129672196 /nfs/dbraw/zinc/67/21/96/1129672196.db2.gz IMONWEVLIANSTC-MRXNPFEDSA-N 1 1 291.822 3.581 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000649702614 1129672198 /nfs/dbraw/zinc/67/21/98/1129672198.db2.gz IMONWEVLIANSTC-MRXNPFEDSA-N 1 1 291.822 3.581 20 30 CHEDMO C=CCCCC[N@H+](C)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872836 1129681674 /nfs/dbraw/zinc/68/16/74/1129681674.db2.gz OTXFSEYUVJJBRJ-HUUCEWRRSA-N 1 1 296.455 3.672 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001168967805 1129687994 /nfs/dbraw/zinc/68/79/94/1129687994.db2.gz BGOUSEKGCMSGNJ-SFHVURJKSA-N 1 1 287.447 3.877 20 30 CHEDMO C=CCCCC[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001168991141 1129689868 /nfs/dbraw/zinc/68/98/68/1129689868.db2.gz ARMLJTPBWAEWJC-LJQANCHMSA-N 1 1 286.463 3.939 20 30 CHEDMO CCCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169098441 1129696723 /nfs/dbraw/zinc/69/67/23/1129696723.db2.gz IDVCJJGPJBHHDG-BJWYYQGGSA-N 1 1 266.473 3.952 20 30 CHEDMO CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169119835 1129700651 /nfs/dbraw/zinc/70/06/51/1129700651.db2.gz XKJQXPUWFSRQKZ-VQHPVUNQSA-N 1 1 266.473 3.950 20 30 CHEDMO C=CCc1cc(C)c[nH+]c1NCCCc1ccc(C)nc1 ZINC001169254984 1129713045 /nfs/dbraw/zinc/71/30/45/1129713045.db2.gz UIRDNMVIRGTHQS-UHFFFAOYSA-N 1 1 281.403 3.867 20 30 CHEDMO CC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001169496580 1129730394 /nfs/dbraw/zinc/73/03/94/1129730394.db2.gz UENIMKVXVUJRMW-HIFRSBDPSA-N 1 1 261.796 3.812 20 30 CHEDMO C=CC[N@@H+](C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001169494615 1129730895 /nfs/dbraw/zinc/73/08/95/1129730895.db2.gz MNGBXLCSVDAPTC-UHFFFAOYSA-N 1 1 296.455 3.532 20 30 CHEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000651790347 1129748719 /nfs/dbraw/zinc/74/87/19/1129748719.db2.gz TVGUNLZLGXBJQV-RLLQIKCJSA-N 1 1 298.474 3.843 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2csnc2OC)CCCC1(C)C ZINC001169845955 1129761337 /nfs/dbraw/zinc/76/13/37/1129761337.db2.gz ZIBSGTIKKKBUEZ-ZDUSSCGKSA-N 1 1 280.437 3.718 20 30 CHEDMO C=C(CC)C[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653911661 1129801719 /nfs/dbraw/zinc/80/17/19/1129801719.db2.gz IVERMORHVYKKQC-OAHLLOKOSA-N 1 1 256.349 3.514 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3cccs3)CC2)cc1 ZINC000767733121 1129812128 /nfs/dbraw/zinc/81/21/28/1129812128.db2.gz XXOJPCPXBSCLOU-UHFFFAOYSA-N 1 1 294.423 3.952 20 30 CHEDMO CC#CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767880983 1129818320 /nfs/dbraw/zinc/81/83/20/1129818320.db2.gz DTOBTPLCKSQUSL-ZDUSSCGKSA-N 1 1 267.294 3.518 20 30 CHEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768153821 1129835654 /nfs/dbraw/zinc/83/56/54/1129835654.db2.gz LDCITJCBIKXWMJ-UHFFFAOYSA-N 1 1 296.418 3.757 20 30 CHEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](CCC#N)CC(C)C)c1 ZINC000768153821 1129835658 /nfs/dbraw/zinc/83/56/58/1129835658.db2.gz LDCITJCBIKXWMJ-UHFFFAOYSA-N 1 1 296.418 3.757 20 30 CHEDMO COc1ccccc1/C=C\C[N@H+](CCC#N)CC(C)C ZINC000768153762 1129836167 /nfs/dbraw/zinc/83/61/67/1129836167.db2.gz JEMIZWWAASJXCP-TWGQIWQCSA-N 1 1 272.392 3.580 20 30 CHEDMO COc1ccccc1/C=C\C[N@@H+](CCC#N)CC(C)C ZINC000768153762 1129836173 /nfs/dbraw/zinc/83/61/73/1129836173.db2.gz JEMIZWWAASJXCP-TWGQIWQCSA-N 1 1 272.392 3.580 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768154387 1129836880 /nfs/dbraw/zinc/83/68/80/1129836880.db2.gz SITKNYUSGCKGHW-UHFFFAOYSA-N 1 1 272.392 3.623 20 30 CHEDMO C=CCOc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000768154387 1129836882 /nfs/dbraw/zinc/83/68/82/1129836882.db2.gz SITKNYUSGCKGHW-UHFFFAOYSA-N 1 1 272.392 3.623 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000768172981 1129839257 /nfs/dbraw/zinc/83/92/57/1129839257.db2.gz SLJFFEVCLRCZCO-UHFFFAOYSA-N 1 1 297.373 3.860 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2F)cc1 ZINC000768172981 1129839261 /nfs/dbraw/zinc/83/92/61/1129839261.db2.gz SLJFFEVCLRCZCO-UHFFFAOYSA-N 1 1 297.373 3.860 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000768196565 1129842737 /nfs/dbraw/zinc/84/27/37/1129842737.db2.gz REVVBEKEXTVLFP-LBPRGKRZSA-N 1 1 268.385 3.739 20 30 CHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215025 1129843336 /nfs/dbraw/zinc/84/33/36/1129843336.db2.gz ONFJUEKBUACBAY-IAQYHMDHSA-N 1 1 286.400 3.968 20 30 CHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215025 1129843340 /nfs/dbraw/zinc/84/33/40/1129843340.db2.gz ONFJUEKBUACBAY-IAQYHMDHSA-N 1 1 286.400 3.968 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215026 1129843768 /nfs/dbraw/zinc/84/37/68/1129843768.db2.gz ONFJUEKBUACBAY-NHYWBVRUSA-N 1 1 286.400 3.968 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215026 1129843777 /nfs/dbraw/zinc/84/37/77/1129843777.db2.gz ONFJUEKBUACBAY-NHYWBVRUSA-N 1 1 286.400 3.968 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000768234464 1129845172 /nfs/dbraw/zinc/84/51/72/1129845172.db2.gz LNYDCZDRJLMBII-UHFFFAOYSA-N 1 1 297.423 3.709 20 30 CHEDMO CC[N@@H+](Cc1ccoc1)[C@H](C)c1ccc(C#N)cc1 ZINC000118532799 1129846907 /nfs/dbraw/zinc/84/69/07/1129846907.db2.gz XPRKUDGARXIFBM-CYBMUJFWSA-N 1 1 254.333 3.734 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768318403 1129851763 /nfs/dbraw/zinc/85/17/63/1129851763.db2.gz MFYXMAUWPYQJQD-SFHVURJKSA-N 1 1 285.435 3.657 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000829809573 1129852600 /nfs/dbraw/zinc/85/26/00/1129852600.db2.gz DQWHGAOTJGHWKL-LLVKDONJSA-N 1 1 283.202 3.624 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000829809573 1129852605 /nfs/dbraw/zinc/85/26/05/1129852605.db2.gz DQWHGAOTJGHWKL-LLVKDONJSA-N 1 1 283.202 3.624 20 30 CHEDMO CCCCCCC[C@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000768517025 1129861964 /nfs/dbraw/zinc/86/19/64/1129861964.db2.gz GZIPDOVOIBOMQB-DZGCQCFKSA-N 1 1 263.429 3.606 20 30 CHEDMO C=CC[N@@H+](Cc1c(F)cccc1N1CCCC1)C(C)C ZINC000768549727 1129861971 /nfs/dbraw/zinc/86/19/71/1129861971.db2.gz CGMYYISMIYHHDO-UHFFFAOYSA-N 1 1 276.399 3.822 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000768547167 1129863557 /nfs/dbraw/zinc/86/35/57/1129863557.db2.gz JSUQLWOUJOQSBR-UHFFFAOYSA-N 1 1 284.197 3.551 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)C(C)C ZINC000768547467 1129864451 /nfs/dbraw/zinc/86/44/51/1129864451.db2.gz NRPWUIRNXGQKTM-UHFFFAOYSA-N 1 1 277.799 3.623 20 30 CHEDMO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)C(C)C ZINC000768547467 1129864456 /nfs/dbraw/zinc/86/44/56/1129864456.db2.gz NRPWUIRNXGQKTM-UHFFFAOYSA-N 1 1 277.799 3.623 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C(C)C ZINC000768550361 1129865078 /nfs/dbraw/zinc/86/50/78/1129865078.db2.gz MFZMJISNAWKTDD-UHFFFAOYSA-N 1 1 283.375 3.665 20 30 CHEDMO COc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c(C#N)c1 ZINC001137698328 1131403306 /nfs/dbraw/zinc/40/33/06/1131403306.db2.gz SLXAAKDPYFSNAD-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(C#N)c1 ZINC001137698328 1131403309 /nfs/dbraw/zinc/40/33/09/1131403309.db2.gz SLXAAKDPYFSNAD-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000768764204 1129871746 /nfs/dbraw/zinc/87/17/46/1129871746.db2.gz LWRRCZJOBWSQLG-UHFFFAOYSA-N 1 1 273.424 3.657 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000768764204 1129871751 /nfs/dbraw/zinc/87/17/51/1129871751.db2.gz LWRRCZJOBWSQLG-UHFFFAOYSA-N 1 1 273.424 3.657 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c(C#N)c1 ZINC001137706609 1131405057 /nfs/dbraw/zinc/40/50/57/1131405057.db2.gz JPDRYOCZNFAAIQ-SAZUREKKSA-N 1 1 272.392 3.577 20 30 CHEDMO C#CC[N@H+](CC)Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000769103938 1129890092 /nfs/dbraw/zinc/89/00/92/1129890092.db2.gz DXRYRPRAHBYUCC-UHFFFAOYSA-N 1 1 295.810 3.593 20 30 CHEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(C)s1 ZINC000769316604 1129902060 /nfs/dbraw/zinc/90/20/60/1129902060.db2.gz KMPVSGFFDABGOS-UHFFFAOYSA-N 1 1 285.412 3.701 20 30 CHEDMO CCC1(CC)CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769399967 1129906381 /nfs/dbraw/zinc/90/63/81/1129906381.db2.gz ZBIATOZYVDHKRC-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@@H]2C)cc1 ZINC000769404751 1129906783 /nfs/dbraw/zinc/90/67/83/1129906783.db2.gz PAFUQJBDSSIMHE-GJZGRUSLSA-N 1 1 272.392 3.742 20 30 CHEDMO C#CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCCC1 ZINC000769469878 1129912559 /nfs/dbraw/zinc/91/25/59/1129912559.db2.gz RWXSBACLGGJTBX-UHFFFAOYSA-N 1 1 299.414 3.710 20 30 CHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769506207 1129915191 /nfs/dbraw/zinc/91/51/91/1129915191.db2.gz DBXWMNBILZKWNF-SFHVURJKSA-N 1 1 295.357 3.785 20 30 CHEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769506207 1129915193 /nfs/dbraw/zinc/91/51/93/1129915193.db2.gz DBXWMNBILZKWNF-SFHVURJKSA-N 1 1 295.357 3.785 20 30 CHEDMO CC(=[NH+]Nc1ccc(F)cc1)c1ccccc1N(C)C ZINC000769567118 1129917857 /nfs/dbraw/zinc/91/78/57/1129917857.db2.gz MRAQIYQDKVEDCE-UHFFFAOYSA-N 1 1 271.339 3.728 20 30 CHEDMO COc1ccc(N[NH+]=C(C)c2ccccc2N(C)C)cc1 ZINC000769586947 1129918673 /nfs/dbraw/zinc/91/86/73/1129918673.db2.gz WTJNVJAMFWOVJM-UHFFFAOYSA-N 1 1 283.375 3.597 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)nc1Cl)C(C)C ZINC000801510893 1129922778 /nfs/dbraw/zinc/92/27/78/1129922778.db2.gz JBNYCRVNRZXYSD-UHFFFAOYSA-N 1 1 259.180 3.785 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)nc1Cl)C(C)C ZINC000801510893 1129922782 /nfs/dbraw/zinc/92/27/82/1129922782.db2.gz JBNYCRVNRZXYSD-UHFFFAOYSA-N 1 1 259.180 3.785 20 30 CHEDMO CC[N@H+]1CCC(N=Nc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000769827376 1129927632 /nfs/dbraw/zinc/92/76/32/1129927632.db2.gz VNCJYFGGJGFXQG-JTQLQIEISA-N 1 1 283.778 3.609 20 30 CHEDMO COc1ccsc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000769971436 1129932712 /nfs/dbraw/zinc/93/27/12/1129932712.db2.gz PKVDXDNMHJSSNI-JTQLQIEISA-N 1 1 290.363 3.618 20 30 CHEDMO CC(C)c1ccc(C[N@@H+](CCO[C@H](C)C#N)C2CC2)cc1 ZINC000801909984 1129957294 /nfs/dbraw/zinc/95/72/94/1129957294.db2.gz JOXMDGAMANXCIK-OAHLLOKOSA-N 1 1 286.419 3.703 20 30 CHEDMO CCCCC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(F)cc1 ZINC000801910764 1129957651 /nfs/dbraw/zinc/95/76/51/1129957651.db2.gz WWDDFMURWSPVHV-OAHLLOKOSA-N 1 1 292.398 3.747 20 30 CHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCO[C@@H](C)C#N)o1 ZINC000801925422 1129960238 /nfs/dbraw/zinc/96/02/38/1129960238.db2.gz LXYCPECQFVZJEB-DZKIICNBSA-N 1 1 290.407 3.544 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCCS)cc1 ZINC001171003244 1131411050 /nfs/dbraw/zinc/41/10/50/1131411050.db2.gz PJHWLVMWNLXVBG-INIZCTEOSA-N 1 1 276.449 3.741 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000771939276 1129996954 /nfs/dbraw/zinc/99/69/54/1129996954.db2.gz PJMDMSKNFZKGSF-BEFAXECRSA-N 1 1 292.382 3.924 20 30 CHEDMO CCC(CC)[C@H](CC/[NH+]=C\c1ccccc1O)OC ZINC000746522665 1130002387 /nfs/dbraw/zinc/00/23/87/1130002387.db2.gz PKNZJTVFDBKJHI-BQGMYUGNSA-N 1 1 263.381 3.652 20 30 CHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902731215 1130046044 /nfs/dbraw/zinc/04/60/44/1130046044.db2.gz WLGBHIZUPCLALV-ZIAGYGMSSA-N 1 1 295.386 3.682 20 30 CHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902753488 1130050671 /nfs/dbraw/zinc/05/06/71/1130050671.db2.gz QFPSNHODEZHNAL-NEPJUHHUSA-N 1 1 299.349 3.513 20 30 CHEDMO CC[C@H]([NH2+][C@@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902831433 1130065886 /nfs/dbraw/zinc/06/58/86/1130065886.db2.gz YMGMONBQPQZRNB-IRXDYDNUSA-N 1 1 298.386 3.888 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000785998619 1130072489 /nfs/dbraw/zinc/07/24/89/1130072489.db2.gz JGROPCDTVLKDTA-LSDHHAIUSA-N 1 1 299.336 3.779 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000785998609 1130073191 /nfs/dbraw/zinc/07/31/91/1130073191.db2.gz JDGBGICVUBJAPJ-HNNXBMFYSA-N 1 1 290.794 3.783 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000785998609 1130073197 /nfs/dbraw/zinc/07/31/97/1130073197.db2.gz JDGBGICVUBJAPJ-HNNXBMFYSA-N 1 1 290.794 3.783 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000786443240 1130094223 /nfs/dbraw/zinc/09/42/23/1130094223.db2.gz IEJOYIJBZVTLAK-AWEZNQCLSA-N 1 1 288.435 3.819 20 30 CHEDMO CC1(C)C[C@H]([NH2+]CC2(C#N)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000903033742 1130103028 /nfs/dbraw/zinc/10/30/28/1130103028.db2.gz YNVLHZONGCMAGM-HNNXBMFYSA-N 1 1 299.374 3.601 20 30 CHEDMO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903032055 1130103243 /nfs/dbraw/zinc/10/32/43/1130103243.db2.gz PCMIJBLEHUUIIF-GFCCVEGCSA-N 1 1 294.345 3.941 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903032383 1130103272 /nfs/dbraw/zinc/10/32/72/1130103272.db2.gz RTZMAJBWQGAWGY-LLVKDONJSA-N 1 1 277.437 3.919 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000903100199 1130112410 /nfs/dbraw/zinc/11/24/10/1130112410.db2.gz JVPNZZZKQOINCL-AWEZNQCLSA-N 1 1 270.376 3.572 20 30 CHEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCCS2 ZINC000903106881 1130113561 /nfs/dbraw/zinc/11/35/61/1130113561.db2.gz XUBZESIIPFPYED-CQSZACIVSA-N 1 1 288.416 3.516 20 30 CHEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC001170062025 1130113712 /nfs/dbraw/zinc/11/37/12/1130113712.db2.gz IWZVWGCXWBCCFY-KSZLIROESA-N 1 1 280.415 3.948 20 30 CHEDMO N#CC1(C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000903106927 1130113802 /nfs/dbraw/zinc/11/38/02/1130113802.db2.gz YUDZUSBPDHBMOS-UHFFFAOYSA-N 1 1 260.340 3.650 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1nccc2ccccc21 ZINC000903108393 1130114241 /nfs/dbraw/zinc/11/42/41/1130114241.db2.gz BPUUKEGDRVXJCE-AWEZNQCLSA-N 1 1 279.387 3.969 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c(F)c1 ZINC000903108488 1130114577 /nfs/dbraw/zinc/11/45/77/1130114577.db2.gz TUBGTTYQUCETPR-GFCCVEGCSA-N 1 1 276.355 3.569 20 30 CHEDMO CCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1F ZINC000787049669 1130128071 /nfs/dbraw/zinc/12/80/71/1130128071.db2.gz MOHCWOPTTLWTGT-UHFFFAOYSA-N 1 1 278.371 3.596 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1F ZINC000787049669 1130128074 /nfs/dbraw/zinc/12/80/74/1130128074.db2.gz MOHCWOPTTLWTGT-UHFFFAOYSA-N 1 1 278.371 3.596 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1C ZINC000746654418 1130135118 /nfs/dbraw/zinc/13/51/18/1130135118.db2.gz IDBGCLDVCNUOAV-IBGZPJMESA-N 1 1 299.389 3.856 20 30 CHEDMO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903263287 1130139220 /nfs/dbraw/zinc/13/92/20/1130139220.db2.gz LEMYLKJFTGFIIL-HNNXBMFYSA-N 1 1 297.427 3.799 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000787309456 1130147032 /nfs/dbraw/zinc/14/70/32/1130147032.db2.gz IVXXOKBTMUSXSN-KRWDZBQOSA-N 1 1 283.419 3.577 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCOCC)cc1 ZINC000787310578 1130147327 /nfs/dbraw/zinc/14/73/27/1130147327.db2.gz OXDSCAXVYBDZAM-MRXNPFEDSA-N 1 1 275.392 3.600 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C=C)cc1 ZINC000787309737 1130147385 /nfs/dbraw/zinc/14/73/85/1130147385.db2.gz LRYQRYGVFRDJNU-KRWDZBQOSA-N 1 1 269.388 3.629 20 30 CHEDMO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000746705783 1130158575 /nfs/dbraw/zinc/15/85/75/1130158575.db2.gz BFGAFJAXKKEPRI-ZDUSSCGKSA-N 1 1 274.408 3.590 20 30 CHEDMO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000746705783 1130158577 /nfs/dbraw/zinc/15/85/77/1130158577.db2.gz BFGAFJAXKKEPRI-ZDUSSCGKSA-N 1 1 274.408 3.590 20 30 CHEDMO CC[C@@H](C)C[N@@H+](CC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000748263582 1130226198 /nfs/dbraw/zinc/22/61/98/1130226198.db2.gz WIKIKKRUTYOSLB-OAHLLOKOSA-N 1 1 296.418 3.747 20 30 CHEDMO C=CC[N@H+](CC[C@@H](C)OCc1ccccc1)C(C)C ZINC000789310885 1130242491 /nfs/dbraw/zinc/24/24/91/1130242491.db2.gz WQYFDKVQMGLHFX-MRXNPFEDSA-N 1 1 261.409 3.878 20 30 CHEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000789586414 1130261201 /nfs/dbraw/zinc/26/12/01/1130261201.db2.gz OCTQEGHSBGMBBS-BRWVUGGUSA-N 1 1 299.462 3.903 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H]2CCC[C@@H](CC)C2)n1 ZINC000789759204 1130275597 /nfs/dbraw/zinc/27/55/97/1130275597.db2.gz PZWOVEUSJVJDCE-SJORKVTESA-N 1 1 287.451 3.555 20 30 CHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000677047870 1130284391 /nfs/dbraw/zinc/28/43/91/1130284391.db2.gz IKPXNKJSOYMFDI-JTQLQIEISA-N 1 1 286.238 3.744 20 30 CHEDMO CC[C@@H](C)NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000790183942 1130294244 /nfs/dbraw/zinc/29/42/44/1130294244.db2.gz XIMWGAOWRXZLIX-OAHLLOKOSA-N 1 1 275.440 3.519 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)CCC(C)C)cc1OC ZINC000678137718 1130357834 /nfs/dbraw/zinc/35/78/34/1130357834.db2.gz TVCUSSVBCBDRCQ-UHFFFAOYSA-N 1 1 277.408 3.738 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000791568630 1130381838 /nfs/dbraw/zinc/38/18/38/1130381838.db2.gz PQRDKYFRLHOLLC-KRWDZBQOSA-N 1 1 299.414 3.551 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001170156158 1130382580 /nfs/dbraw/zinc/38/25/80/1130382580.db2.gz AQHLOXHDWRYDJV-UWWQBHOKSA-N 1 1 284.403 3.590 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccnc(N(C)C)c1 ZINC000791566538 1130386236 /nfs/dbraw/zinc/38/62/36/1130386236.db2.gz RBKAAGLROCLIDE-UHFFFAOYSA-N 1 1 295.430 3.726 20 30 CHEDMO CCCCCCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001137330486 1130392443 /nfs/dbraw/zinc/39/24/43/1130392443.db2.gz PUAIXLFRUXFUAF-MRXNPFEDSA-N 1 1 282.472 3.728 20 30 CHEDMO CCCCCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792198319 1130437627 /nfs/dbraw/zinc/43/76/27/1130437627.db2.gz CKTFSKQNBHMMMN-GOSISDBHSA-N 1 1 296.499 3.534 20 30 CHEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000792217273 1130440983 /nfs/dbraw/zinc/44/09/83/1130440983.db2.gz MJHUOUFPPUPWGA-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000792217273 1130440985 /nfs/dbraw/zinc/44/09/85/1130440985.db2.gz MJHUOUFPPUPWGA-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CC(C)C1 ZINC001170205681 1130458984 /nfs/dbraw/zinc/45/89/84/1130458984.db2.gz MDJMCXLPIOOLLJ-UHFFFAOYSA-N 1 1 275.440 3.888 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCO[C@@H](CC)C1 ZINC001170241397 1130466539 /nfs/dbraw/zinc/46/65/39/1130466539.db2.gz WHOUVBRKTBDWPY-HOTGVXAUSA-N 1 1 251.414 3.765 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCO[C@H](CC)C1 ZINC001170227079 1130468122 /nfs/dbraw/zinc/46/81/22/1130468122.db2.gz MDRXGTLCMFMFDK-ZHALLVOQSA-N 1 1 283.415 3.567 20 30 CHEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001170286938 1130479200 /nfs/dbraw/zinc/47/92/00/1130479200.db2.gz FVBQXYULWUOEGH-UONOGXRCSA-N 1 1 276.811 3.897 20 30 CHEDMO C=CC[N@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388723 1130488163 /nfs/dbraw/zinc/48/81/63/1130488163.db2.gz BBZFSRPWCUPBAK-UHFFFAOYSA-N 1 1 254.377 3.508 20 30 CHEDMO CC(C)C[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170377288 1130489789 /nfs/dbraw/zinc/48/97/89/1130489789.db2.gz YPYQHEUYXPACRJ-UHFFFAOYSA-N 1 1 270.420 3.978 20 30 CHEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC001170379453 1130491133 /nfs/dbraw/zinc/49/11/33/1130491133.db2.gz YSMHDEYMDYJUDS-IPJUCJBFSA-N 1 1 298.430 3.501 20 30 CHEDMO C[N@H+](CC(F)F)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170406161 1130492075 /nfs/dbraw/zinc/49/20/75/1130492075.db2.gz RVHWPNFFPKSECD-UHFFFAOYSA-N 1 1 278.346 3.587 20 30 CHEDMO C[N@@H+](CC(F)F)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170406161 1130492078 /nfs/dbraw/zinc/49/20/78/1130492078.db2.gz RVHWPNFFPKSECD-UHFFFAOYSA-N 1 1 278.346 3.587 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](CC)CC#N)c1ccc(F)c(F)c1 ZINC001255163912 1130529955 /nfs/dbraw/zinc/52/99/55/1130529955.db2.gz ITZIDPKDCXAKJQ-SMDDNHRTSA-N 1 1 252.308 3.698 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000827271132 1130534435 /nfs/dbraw/zinc/53/44/35/1130534435.db2.gz JNKYIGGAPXQVMZ-HUUCEWRRSA-N 1 1 290.382 3.549 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)ccc2Br)C1 ZINC001137386155 1130552462 /nfs/dbraw/zinc/55/24/62/1130552462.db2.gz RLCLZWYZFZOFAR-ZDUSSCGKSA-N 1 1 292.220 3.603 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000793394162 1130553683 /nfs/dbraw/zinc/55/36/83/1130553683.db2.gz LCPLIDMRVXNHSS-CQSZACIVSA-N 1 1 284.403 3.742 20 30 CHEDMO CC[C@H](CC#N)[N@@H+](Cc1cccc(C)c1C)C1CC1 ZINC001255177991 1130557061 /nfs/dbraw/zinc/55/70/61/1130557061.db2.gz ZTKZJENRJREVBQ-MRXNPFEDSA-N 1 1 256.393 3.960 20 30 CHEDMO C=CC[N@@H+](CCC#N)Cn1ccc(=S)c2ccccc21 ZINC000793559952 1130571286 /nfs/dbraw/zinc/57/12/86/1130571286.db2.gz IHKQMWUEXACCRB-UHFFFAOYSA-N 1 1 283.400 3.730 20 30 CHEDMO C=CC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C(C)C ZINC000811456340 1130610593 /nfs/dbraw/zinc/61/05/93/1130610593.db2.gz LUDKVUHFQYUZFL-UHFFFAOYSA-N 1 1 273.298 3.807 20 30 CHEDMO C#CC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)C1CC1 ZINC000811490123 1130612723 /nfs/dbraw/zinc/61/27/23/1130612723.db2.gz NATOJNLKTGFYPZ-ACCUITESSA-N 1 1 291.341 3.789 20 30 CHEDMO C[C@H]1CC(=NOC/C=C\Cl)CC[N@H+]1Cc1ccccc1 ZINC000811671135 1130634464 /nfs/dbraw/zinc/63/44/64/1130634464.db2.gz AIJBSZGNXOEFOD-GMJFTHHDSA-N 1 1 292.810 3.796 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001234855701 1130683469 /nfs/dbraw/zinc/68/34/69/1130683469.db2.gz DLFHRAJTTULXCK-HNNXBMFYSA-N 1 1 272.392 3.543 20 30 CHEDMO CCCCCCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038295 1130705790 /nfs/dbraw/zinc/70/57/90/1130705790.db2.gz FMKNKWRKYWLFQM-MRXNPFEDSA-N 1 1 252.446 3.565 20 30 CHEDMO C=CCCCCCCCCN1CCC2(CC[NH2+]2)CC1 ZINC001235105246 1130712130 /nfs/dbraw/zinc/71/21/30/1130712130.db2.gz AXNICVBVIUTYOM-UHFFFAOYSA-N 1 1 264.457 3.731 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(OCC=C)cc1)c1ccc(F)cc1 ZINC000812792968 1130717150 /nfs/dbraw/zinc/71/71/50/1130717150.db2.gz KCCGZWAIRFEYLC-IBGZPJMESA-N 1 1 295.357 3.855 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc(OCC=C)c1)c1ccc(F)cc1 ZINC000812793547 1130717199 /nfs/dbraw/zinc/71/71/99/1130717199.db2.gz USRASPCYQIUQAO-LJQANCHMSA-N 1 1 295.357 3.855 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccccc1C)c1ccc(F)cc1 ZINC000812793515 1130717369 /nfs/dbraw/zinc/71/73/69/1130717369.db2.gz XOWWZMJTCIERKL-KRWDZBQOSA-N 1 1 253.320 3.598 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(C)c(F)c1)c1ccc(F)cc1 ZINC000812794304 1130717417 /nfs/dbraw/zinc/71/74/17/1130717417.db2.gz YNKYVZHNZZZNFM-KRWDZBQOSA-N 1 1 271.310 3.737 20 30 CHEDMO N#CCC[N@@H+](Cc1cc2cccc(F)c2[nH]1)C1CCCC1 ZINC001235247871 1130727076 /nfs/dbraw/zinc/72/70/76/1130727076.db2.gz TZBSKWNMOULHBD-UHFFFAOYSA-N 1 1 285.366 3.965 20 30 CHEDMO N#CCC[N@H+](Cc1cc2cccc(F)c2[nH]1)C1CCCC1 ZINC001235247871 1130727079 /nfs/dbraw/zinc/72/70/79/1130727079.db2.gz TZBSKWNMOULHBD-UHFFFAOYSA-N 1 1 285.366 3.965 20 30 CHEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001235523201 1130750341 /nfs/dbraw/zinc/75/03/41/1130750341.db2.gz NEJPZVQPABMLTC-AWEZNQCLSA-N 1 1 282.309 3.527 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1CC#N)CC2 ZINC001235512808 1130751146 /nfs/dbraw/zinc/75/11/46/1130751146.db2.gz VRPJWYTUMUTYQG-UHFFFAOYSA-N 1 1 276.383 3.619 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001235527022 1130752730 /nfs/dbraw/zinc/75/27/30/1130752730.db2.gz FXZJFIWXPSFADA-SFHVURJKSA-N 1 1 262.356 3.700 20 30 CHEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(F)c1 ZINC001235658536 1130763153 /nfs/dbraw/zinc/76/31/53/1130763153.db2.gz OJCKEEYNPRBUOB-DYVFJYSZSA-N 1 1 290.357 3.991 20 30 CHEDMO C=CC[N@@H+](Cc1c(C)cncc1Br)C(C)(C)C ZINC001235651471 1130763326 /nfs/dbraw/zinc/76/33/26/1130763326.db2.gz REPHZGIJLUURNH-UHFFFAOYSA-N 1 1 297.240 3.939 20 30 CHEDMO C=CC[N@H+](Cc1c(C)cncc1Br)C(C)(C)C ZINC001235651471 1130763329 /nfs/dbraw/zinc/76/33/29/1130763329.db2.gz REPHZGIJLUURNH-UHFFFAOYSA-N 1 1 297.240 3.939 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678836 1130768180 /nfs/dbraw/zinc/76/81/80/1130768180.db2.gz NSLLDJYXZDYCLQ-AWEZNQCLSA-N 1 1 271.404 3.535 20 30 CHEDMO CCCCCCC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000782498450 1130779801 /nfs/dbraw/zinc/77/98/01/1130779801.db2.gz TUBAYFPADLTQIJ-UHFFFAOYSA-N 1 1 263.429 3.868 20 30 CHEDMO C=CCN(Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC001235962633 1130819484 /nfs/dbraw/zinc/81/94/84/1130819484.db2.gz OGIWLKOHCIICAU-UHFFFAOYSA-N 1 1 298.455 3.582 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171244 1130832965 /nfs/dbraw/zinc/83/29/65/1130832965.db2.gz MIWJNSNWUFGZFE-SFHVURJKSA-N 1 1 276.383 3.646 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171244 1130832970 /nfs/dbraw/zinc/83/29/70/1130832970.db2.gz MIWJNSNWUFGZFE-SFHVURJKSA-N 1 1 276.383 3.646 20 30 CHEDMO CC(=NOCCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814246006 1130848328 /nfs/dbraw/zinc/84/83/28/1130848328.db2.gz RKOFWTLSLQAPJC-SFHVURJKSA-N 1 1 286.419 3.701 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](CCCO)Cc1ccc(C#N)cc1 ZINC001236142800 1130873529 /nfs/dbraw/zinc/87/35/29/1130873529.db2.gz CTTHGEYBNQTXIZ-MRXNPFEDSA-N 1 1 294.398 3.504 20 30 CHEDMO CCCCCCCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000784251903 1130894300 /nfs/dbraw/zinc/89/43/00/1130894300.db2.gz JMSRVNKQUZOCRO-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCC/C=C/CN1CCC[NH2+]CCC1 ZINC001236239617 1130901499 /nfs/dbraw/zinc/90/14/99/1130901499.db2.gz IZRXBJSFTFRAFO-CMDGGOBGSA-N 1 1 252.446 3.589 20 30 CHEDMO CC(=[NH+]N[C@H](C)c1ccccc1)c1cc(F)c(N)c(F)c1 ZINC000814815185 1130916690 /nfs/dbraw/zinc/91/66/90/1130916690.db2.gz PKWPZCNXLQJKGE-SNVBAGLBSA-N 1 1 289.329 3.622 20 30 CHEDMO C=CCC[C@@H](NC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000796703159 1130924983 /nfs/dbraw/zinc/92/49/83/1130924983.db2.gz SNYMBTHEZUTSII-HZPDHXFCSA-N 1 1 276.424 3.751 20 30 CHEDMO CC(=[NH+]OC1CCCC1)c1ccc(Cl)c(N)c1 ZINC000814895098 1130931368 /nfs/dbraw/zinc/93/13/68/1130931368.db2.gz UHZWFKNZUQDRIW-UHFFFAOYSA-N 1 1 252.745 3.605 20 30 CHEDMO CC(=[NH+]Nc1ccc(C(F)(F)F)cc1)c1ccc(N)nc1 ZINC000814882244 1130935697 /nfs/dbraw/zinc/93/56/97/1130935697.db2.gz LNFZCMJNYIOZAP-UHFFFAOYSA-N 1 1 294.280 3.519 20 30 CHEDMO Cc1ccc(C2=CC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000815009697 1130949455 /nfs/dbraw/zinc/94/94/55/1130949455.db2.gz AXBFUEFKDAXSOR-QAPCUYQASA-N 1 1 266.388 3.776 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000815011240 1130951248 /nfs/dbraw/zinc/95/12/48/1130951248.db2.gz FZBUPZVQXVTAJP-AEFFLSMTSA-N 1 1 285.435 3.657 20 30 CHEDMO C#CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CCCCC1 ZINC000815028070 1130953811 /nfs/dbraw/zinc/95/38/11/1130953811.db2.gz PQELDULGKRNVQY-QGZVFWFLSA-N 1 1 297.398 3.734 20 30 CHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2F)nc1 ZINC001236527576 1130964967 /nfs/dbraw/zinc/96/49/67/1130964967.db2.gz NUDVDDFUEPIGNU-GOSISDBHSA-N 1 1 295.361 3.916 20 30 CHEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1O ZINC000797416428 1130986027 /nfs/dbraw/zinc/98/60/27/1130986027.db2.gz HZHPVTRDDCTJNY-CYBMUJFWSA-N 1 1 287.403 3.527 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC001236644625 1130988984 /nfs/dbraw/zinc/98/89/84/1130988984.db2.gz JRMSEMUYBXBEES-UHFFFAOYSA-N 1 1 292.423 3.661 20 30 CHEDMO COc1ccc2sc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC001236667583 1130991612 /nfs/dbraw/zinc/99/16/12/1130991612.db2.gz MRCZMCVZLIEXCR-INIZCTEOSA-N 1 1 286.400 3.645 20 30 CHEDMO COc1ccc2sc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC001236667583 1130991616 /nfs/dbraw/zinc/99/16/16/1130991616.db2.gz MRCZMCVZLIEXCR-INIZCTEOSA-N 1 1 286.400 3.645 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc2ccoc21 ZINC001236733004 1131000969 /nfs/dbraw/zinc/00/09/69/1131000969.db2.gz PMIMNECYCVKZSZ-UHFFFAOYSA-N 1 1 256.349 3.949 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3occc32)C1 ZINC001236736253 1131002068 /nfs/dbraw/zinc/00/20/68/1131002068.db2.gz CNSHZPBCVFSSQR-ZDUSSCGKSA-N 1 1 254.333 3.558 20 30 CHEDMO C=CCCC[N@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236797269 1131009080 /nfs/dbraw/zinc/00/90/80/1131009080.db2.gz CWZVVNGXZGDTDF-OAHLLOKOSA-N 1 1 298.352 3.618 20 30 CHEDMO C=CCCC[N@@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236797269 1131009082 /nfs/dbraw/zinc/00/90/82/1131009082.db2.gz CWZVVNGXZGDTDF-OAHLLOKOSA-N 1 1 298.352 3.618 20 30 CHEDMO Oc1ccccc1/C=[NH+]/CCCCc1ccccc1 ZINC000798068393 1131023054 /nfs/dbraw/zinc/02/30/54/1131023054.db2.gz JWGVWDWWNCRQSD-NBVRZTHBSA-N 1 1 253.345 3.834 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236901830 1131031432 /nfs/dbraw/zinc/03/14/32/1131031432.db2.gz XOMSYCMSBIHCON-UHFFFAOYSA-N 1 1 289.810 3.924 20 30 CHEDMO C=CC[C@@H](CC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000798501489 1131038868 /nfs/dbraw/zinc/03/88/68/1131038868.db2.gz JWMIGZQHCRXQPX-SECBINFHSA-N 1 1 257.736 3.629 20 30 CHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(O)c1 ZINC001237050124 1131039580 /nfs/dbraw/zinc/03/95/80/1131039580.db2.gz YPSUZHUZMBOQQS-CQSZACIVSA-N 1 1 272.392 3.641 20 30 CHEDMO C#CC[N@H+](CC1OC=CC1=S)[C@@H]1CCc2ccccc21 ZINC001237191842 1131068690 /nfs/dbraw/zinc/06/86/90/1131068690.db2.gz PXWHTAXNFAIMHN-OAHLLOKOSA-N 1 1 283.396 3.691 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001237193147 1131069292 /nfs/dbraw/zinc/06/92/92/1131069292.db2.gz MXCROGOLHRHISY-OAHLLOKOSA-N 1 1 264.372 3.917 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799193942 1131075549 /nfs/dbraw/zinc/07/55/49/1131075549.db2.gz ORSAPISIUKVRLQ-WMLDXEAASA-N 1 1 277.371 3.504 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799193408 1131076112 /nfs/dbraw/zinc/07/61/12/1131076112.db2.gz JPHWOQGKZLPDGC-MRXNPFEDSA-N 1 1 296.801 3.576 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799194001 1131076421 /nfs/dbraw/zinc/07/64/21/1131076421.db2.gz CGHYNDBZBKVPJZ-INIZCTEOSA-N 1 1 296.801 3.576 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799194002 1131076594 /nfs/dbraw/zinc/07/65/94/1131076594.db2.gz CGHYNDBZBKVPJZ-MRXNPFEDSA-N 1 1 296.801 3.576 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001237355621 1131091213 /nfs/dbraw/zinc/09/12/13/1131091213.db2.gz NWPYBQDQWQILES-NSHDSACASA-N 1 1 298.308 3.553 20 30 CHEDMO C=CC[N@H+](Cc1[nH]nc2cc(OC)ccc21)C1CCCCC1 ZINC001237398925 1131094361 /nfs/dbraw/zinc/09/43/61/1131094361.db2.gz UHKFSYQCUPEJST-UHFFFAOYSA-N 1 1 299.418 3.892 20 30 CHEDMO C=CC[N@@H+](Cc1n[nH]c2cc(OC)ccc21)C1CCCCC1 ZINC001237398925 1131094365 /nfs/dbraw/zinc/09/43/65/1131094365.db2.gz UHKFSYQCUPEJST-UHFFFAOYSA-N 1 1 299.418 3.892 20 30 CHEDMO C=CC[N@H+](Cc1n[nH]c2cc(OC)ccc21)C1CCCCC1 ZINC001237398925 1131094369 /nfs/dbraw/zinc/09/43/69/1131094369.db2.gz UHKFSYQCUPEJST-UHFFFAOYSA-N 1 1 299.418 3.892 20 30 CHEDMO C=CC[N@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816490580 1131100285 /nfs/dbraw/zinc/10/02/85/1131100285.db2.gz YJDVIPSDVYMRNC-UHFFFAOYSA-N 1 1 257.736 3.581 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816490580 1131100287 /nfs/dbraw/zinc/10/02/87/1131100287.db2.gz YJDVIPSDVYMRNC-UHFFFAOYSA-N 1 1 257.736 3.581 20 30 CHEDMO C=CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816509025 1131103301 /nfs/dbraw/zinc/10/33/01/1131103301.db2.gz BQLTZLYLFFSFSI-UHFFFAOYSA-N 1 1 269.747 3.583 20 30 CHEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001237531371 1131110950 /nfs/dbraw/zinc/11/09/50/1131110950.db2.gz LCAWVYADTDGCDO-GOSISDBHSA-N 1 1 298.336 3.956 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)c(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001237531371 1131110952 /nfs/dbraw/zinc/11/09/52/1131110952.db2.gz LCAWVYADTDGCDO-GOSISDBHSA-N 1 1 298.336 3.956 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cnc(C)c(Br)c1 ZINC001237562355 1131114539 /nfs/dbraw/zinc/11/45/39/1131114539.db2.gz RKAQMDSQZSBFAE-UHFFFAOYSA-N 1 1 283.213 3.551 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1Cl ZINC000816649116 1131120122 /nfs/dbraw/zinc/12/01/22/1131120122.db2.gz UEZTXCGQCLKKEK-VXGBXAGGSA-N 1 1 265.784 3.745 20 30 CHEDMO Cc1cc(Br)cc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000816633212 1131122076 /nfs/dbraw/zinc/12/20/76/1131122076.db2.gz SILMJEPEVDUOFO-UHFFFAOYSA-N 1 1 295.224 3.739 20 30 CHEDMO Cc1cc(Br)cc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000816633212 1131122079 /nfs/dbraw/zinc/12/20/79/1131122079.db2.gz SILMJEPEVDUOFO-UHFFFAOYSA-N 1 1 295.224 3.739 20 30 CHEDMO COc1ccc(C)c(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001237712429 1131132496 /nfs/dbraw/zinc/13/24/96/1131132496.db2.gz DCRYYMVOZTXNKQ-UHFFFAOYSA-N 1 1 272.392 3.662 20 30 CHEDMO COc1ccc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001237713648 1131132642 /nfs/dbraw/zinc/13/26/42/1131132642.db2.gz MYXXTOQSKZZMBP-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cccc(Cl)c1C ZINC001237737178 1131135573 /nfs/dbraw/zinc/13/55/73/1131135573.db2.gz DDPCLUOPPXYTLL-UHFFFAOYSA-N 1 1 250.773 3.774 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cccc(Cl)c1C ZINC001237737178 1131135576 /nfs/dbraw/zinc/13/55/76/1131135576.db2.gz DDPCLUOPPXYTLL-UHFFFAOYSA-N 1 1 250.773 3.774 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237757181 1131139520 /nfs/dbraw/zinc/13/95/20/1131139520.db2.gz NYTYOGUEHTWGMF-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237757848 1131139688 /nfs/dbraw/zinc/13/96/88/1131139688.db2.gz VVLAKTXCPCBQPB-MRXNPFEDSA-N 1 1 292.810 3.603 20 30 CHEDMO C=CC[N@H+](C)Cc1cccc(-c2ccc(C(=O)OC)cc2)c1 ZINC001237818138 1131144622 /nfs/dbraw/zinc/14/46/22/1131144622.db2.gz SOPMGOKRCDYNIO-UHFFFAOYSA-N 1 1 295.382 3.758 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(-c2ccccn2)n1)C(C)(C)C ZINC001237837592 1131145442 /nfs/dbraw/zinc/14/54/42/1131145442.db2.gz UEGDGYOXMYUWPN-UHFFFAOYSA-N 1 1 281.403 3.930 20 30 CHEDMO COc1ccc(C[C@H](C)[N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC001116444405 1131146543 /nfs/dbraw/zinc/14/65/43/1131146543.db2.gz RLUOFFOQUSFKGO-HNNXBMFYSA-N 1 1 288.435 3.888 20 30 CHEDMO C=CC[N@H+](CCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC001116502401 1131150954 /nfs/dbraw/zinc/15/09/54/1131150954.db2.gz VCITWCMRCWLUEV-UHFFFAOYSA-N 1 1 294.373 3.928 20 30 CHEDMO N#CC1(CCC[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC001116905349 1131169343 /nfs/dbraw/zinc/16/93/43/1131169343.db2.gz WSOKQSAWEJDQRM-DLBZAZTESA-N 1 1 290.451 3.599 20 30 CHEDMO CC(C)Oc1c(F)cccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238329193 1131191423 /nfs/dbraw/zinc/19/14/23/1131191423.db2.gz QDVSZAJZEUUAIF-AWEZNQCLSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238329193 1131191424 /nfs/dbraw/zinc/19/14/24/1131191424.db2.gz QDVSZAJZEUUAIF-AWEZNQCLSA-N 1 1 290.382 3.739 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cnc(OCCCC)c(C)c1 ZINC001238488905 1131208647 /nfs/dbraw/zinc/20/86/47/1131208647.db2.gz LNSQJNZGVPERHV-UHFFFAOYSA-N 1 1 274.408 3.743 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(Oc2ccccc2)c(C)c1 ZINC001238524481 1131213806 /nfs/dbraw/zinc/21/38/06/1131213806.db2.gz UZVVHKRZXVWPOC-UHFFFAOYSA-N 1 1 265.356 3.852 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1c(F)cc(C)cc1OC ZINC001238591902 1131220397 /nfs/dbraw/zinc/22/03/97/1131220397.db2.gz OLECMORRIDZSEV-UHFFFAOYSA-N 1 1 251.345 3.541 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000829785255 1131432880 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CCCCCCC[C@H](CCC)N1CC2(C1)CC[NH2+]C2 ZINC001246612222 1131717742 /nfs/dbraw/zinc/71/77/42/1131717742.db2.gz HUUUAUUJYCLALF-INIZCTEOSA-N 1 1 266.473 3.811 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001171248588 1131722742 /nfs/dbraw/zinc/72/27/42/1131722742.db2.gz BONQGZMNJGEQMQ-OAHLLOKOSA-N 1 1 281.440 3.787 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1sc(C)cc1Br ZINC000835042664 1131762209 /nfs/dbraw/zinc/76/22/09/1131762209.db2.gz KKQGZDTZCJUPPI-UHFFFAOYSA-N 1 1 280.618 3.661 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000847020609 1131772247 /nfs/dbraw/zinc/77/22/47/1131772247.db2.gz CQOOIGCDFZUXAV-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3c(Cl)n2)C1 ZINC000847018058 1131772331 /nfs/dbraw/zinc/77/23/31/1131772331.db2.gz HNDDVKOUXFTYMS-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000847031320 1131773125 /nfs/dbraw/zinc/77/31/25/1131773125.db2.gz BOUAFUUIZDTUTK-ZDUSSCGKSA-N 1 1 286.400 3.557 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000847031320 1131773132 /nfs/dbraw/zinc/77/31/32/1131773132.db2.gz BOUAFUUIZDTUTK-ZDUSSCGKSA-N 1 1 286.400 3.557 20 30 CHEDMO CCCCCCCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000847059934 1131775852 /nfs/dbraw/zinc/77/58/52/1131775852.db2.gz VSBNDWJMWGSRLA-GFCCVEGCSA-N 1 1 253.390 3.731 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000847059934 1131775861 /nfs/dbraw/zinc/77/58/61/1131775861.db2.gz VSBNDWJMWGSRLA-GFCCVEGCSA-N 1 1 253.390 3.731 20 30 CHEDMO N#Cc1ccc(C2([NH2+]C/C(Cl)=C/Cl)CCC2)cc1 ZINC000847060895 1131775891 /nfs/dbraw/zinc/77/58/91/1131775891.db2.gz UFIFHZZAMLRXEI-JYRVWZFOSA-N 1 1 281.186 3.846 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001140562911 1131795118 /nfs/dbraw/zinc/79/51/18/1131795118.db2.gz KWRPVOVKFGKTOX-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC001140562911 1131795122 /nfs/dbraw/zinc/79/51/22/1131795122.db2.gz KWRPVOVKFGKTOX-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C#CC[N@H+](Cc1ccc(O)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001140578918 1131802940 /nfs/dbraw/zinc/80/29/40/1131802940.db2.gz FHJIJVCRPVNJJP-LJQANCHMSA-N 1 1 291.394 3.823 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001140599653 1131819149 /nfs/dbraw/zinc/81/91/49/1131819149.db2.gz LYXQYPVZBLWXJA-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001140599653 1131819159 /nfs/dbraw/zinc/81/91/59/1131819159.db2.gz LYXQYPVZBLWXJA-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001140600313 1131821179 /nfs/dbraw/zinc/82/11/79/1131821179.db2.gz HENOWFUYHQJMEY-KBPBESRZSA-N 1 1 274.795 3.834 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603065 1131823202 /nfs/dbraw/zinc/82/32/02/1131823202.db2.gz YUAMRZXSISHCOF-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001140604083 1131824866 /nfs/dbraw/zinc/82/48/66/1131824866.db2.gz PKRAUYXIHDOOMK-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754179 1131907604 /nfs/dbraw/zinc/90/76/04/1131907604.db2.gz PRQJFHQNIXXWCG-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(Br)ccn1 ZINC001140766239 1131909909 /nfs/dbraw/zinc/90/99/09/1131909909.db2.gz DMYKRARTBJYIDU-UHFFFAOYSA-N 1 1 283.213 3.632 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000773005832 1131918154 /nfs/dbraw/zinc/91/81/54/1131918154.db2.gz UNJDJZCTLKOGKE-GFCCVEGCSA-N 1 1 293.716 3.735 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)[C@H]1C ZINC001140811400 1131932357 /nfs/dbraw/zinc/93/23/57/1131932357.db2.gz RSXHWULNFOPHBV-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1Cl ZINC001140811384 1131932898 /nfs/dbraw/zinc/93/28/98/1131932898.db2.gz RCZXZNJDNWXXEC-AWEZNQCLSA-N 1 1 297.789 3.596 20 30 CHEDMO C[C@]1(F)CCCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808273 1131933246 /nfs/dbraw/zinc/93/32/46/1131933246.db2.gz OJYAIYRTDMRIFN-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@]1(F)CCCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808273 1131933253 /nfs/dbraw/zinc/93/32/53/1131933253.db2.gz OJYAIYRTDMRIFN-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1OC ZINC001141085062 1132008933 /nfs/dbraw/zinc/00/89/33/1132008933.db2.gz XXOMZGOHSRYVLS-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2c(F)cccc2C1 ZINC001171433583 1132012423 /nfs/dbraw/zinc/01/24/23/1132012423.db2.gz MZZOWBMDXWQITH-OAHLLOKOSA-N 1 1 274.383 3.699 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC12CCCCC2 ZINC001141164243 1132033458 /nfs/dbraw/zinc/03/34/58/1132033458.db2.gz RUWZSJLEROQKKQ-UHFFFAOYSA-N 1 1 258.340 3.606 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001141166988 1132035284 /nfs/dbraw/zinc/03/52/84/1132035284.db2.gz UHVTXQFTSWBGDO-MRXNPFEDSA-N 1 1 290.357 3.802 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC001171491938 1132038256 /nfs/dbraw/zinc/03/82/56/1132038256.db2.gz ZIQQCFMPANZNFO-OAHLLOKOSA-N 1 1 265.466 3.788 20 30 CHEDMO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001171678026 1132075676 /nfs/dbraw/zinc/07/56/76/1132075676.db2.gz AQMADYSXIOHBQV-DOTOQJQBSA-N 1 1 256.393 3.552 20 30 CHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001171681382 1132078141 /nfs/dbraw/zinc/07/81/41/1132078141.db2.gz GALZCEGAXHUIOK-WBVHZDCISA-N 1 1 256.393 3.552 20 30 CHEDMO C=CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)[C@H](C)COC ZINC001171915098 1132107659 /nfs/dbraw/zinc/10/76/59/1132107659.db2.gz ALEMLSRZDIMIKP-XHSDSOJGSA-N 1 1 253.430 3.726 20 30 CHEDMO C=CC[N@H+](Cc1[nH]c(CC)nc1C)C1CCCCC1 ZINC001203250112 1132115837 /nfs/dbraw/zinc/11/58/37/1132115837.db2.gz BJEKVPVQVTXDNT-UHFFFAOYSA-N 1 1 261.413 3.601 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171973507 1132117523 /nfs/dbraw/zinc/11/75/23/1132117523.db2.gz JWUUVJXSJYMSET-KGLIPLIRSA-N 1 1 295.348 3.982 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1CC1(Cl)Cl ZINC000838537213 1132139540 /nfs/dbraw/zinc/13/95/40/1132139540.db2.gz WQXMFIGFSZVNET-SNVBAGLBSA-N 1 1 276.232 3.930 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CC1(Cl)Cl ZINC000838537213 1132139543 /nfs/dbraw/zinc/13/95/43/1132139543.db2.gz WQXMFIGFSZVNET-SNVBAGLBSA-N 1 1 276.232 3.930 20 30 CHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CSc2ccccc2C1 ZINC001172201806 1132139529 /nfs/dbraw/zinc/13/95/29/1132139529.db2.gz KALKQYXMSJCYTI-INIZCTEOSA-N 1 1 286.444 3.862 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306901 1132153298 /nfs/dbraw/zinc/15/32/98/1132153298.db2.gz BFUNJIPTIHDLCZ-MRXNPFEDSA-N 1 1 290.410 3.856 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001172308472 1132153736 /nfs/dbraw/zinc/15/37/36/1132153736.db2.gz KQNMRKIFOWAPGR-CQSZACIVSA-N 1 1 282.362 3.760 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172304835 1132154198 /nfs/dbraw/zinc/15/41/98/1132154198.db2.gz ALEWGOGMMMWBQX-OAHLLOKOSA-N 1 1 269.392 3.505 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001172313890 1132154726 /nfs/dbraw/zinc/15/47/26/1132154726.db2.gz GFGAWWLADXHRSU-ZIAGYGMSSA-N 1 1 292.373 3.856 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H](C)C1 ZINC001172315074 1132155917 /nfs/dbraw/zinc/15/59/17/1132155917.db2.gz NJBHIOCDGLHPOQ-GJZGRUSLSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(F)c1 ZINC001172316751 1132157193 /nfs/dbraw/zinc/15/71/93/1132157193.db2.gz WYUQVWLJNMEJOR-AWEZNQCLSA-N 1 1 282.362 3.760 20 30 CHEDMO Cc1ccc(CC[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172317069 1132157326 /nfs/dbraw/zinc/15/73/26/1132157326.db2.gz ASDMSCYDECGEHR-KRWDZBQOSA-N 1 1 292.426 3.972 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC001172318947 1132159019 /nfs/dbraw/zinc/15/90/19/1132159019.db2.gz JUKGFJJJBDORAZ-DNVCBOLYSA-N 1 1 276.383 3.936 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OC)CCC1 ZINC001172347733 1132181884 /nfs/dbraw/zinc/18/18/84/1132181884.db2.gz YUEPHJHXYXUCCX-CQSZACIVSA-N 1 1 269.429 3.811 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001172355863 1132184130 /nfs/dbraw/zinc/18/41/30/1132184130.db2.gz DSRZVHJPPBIQID-HRCADAONSA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@H](F)C[C@H]1CO ZINC001172357257 1132185231 /nfs/dbraw/zinc/18/52/31/1132185231.db2.gz KISTXNCKLDYUNI-ILXRZTDVSA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](CO)C1 ZINC001172359105 1132186720 /nfs/dbraw/zinc/18/67/20/1132186720.db2.gz UJFVOJMBZUANNZ-HZPDHXFCSA-N 1 1 255.446 3.830 20 30 CHEDMO C#C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)[C@@H](CC)CCCC ZINC001230517232 1132188729 /nfs/dbraw/zinc/18/87/29/1132188729.db2.gz XQOMFIXSIZLNBN-BLLLJJGKSA-N 1 1 285.391 3.742 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001172362138 1132189365 /nfs/dbraw/zinc/18/93/65/1132189365.db2.gz SOUSLLPAAUBLOH-SJORKVTESA-N 1 1 294.483 3.822 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN2CC[C@H]2C1 ZINC001172361921 1132189514 /nfs/dbraw/zinc/18/95/14/1132189514.db2.gz PCFLSDJBQCDOCK-CVEARBPZSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCC[C@@H](CC)N1CC[N@@H+]2CC[C@H]2C1 ZINC001172361921 1132189517 /nfs/dbraw/zinc/18/95/17/1132189517.db2.gz PCFLSDJBQCDOCK-CVEARBPZSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCC[C@@H](CC)N1CC[N@H+]2CC[C@H]2C1 ZINC001172361921 1132189519 /nfs/dbraw/zinc/18/95/19/1132189519.db2.gz PCFLSDJBQCDOCK-CVEARBPZSA-N 1 1 252.446 3.515 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@@H]1C ZINC001172364465 1132190932 /nfs/dbraw/zinc/19/09/32/1132190932.db2.gz CCTDDLAWGRLRIG-QWQRMKEZSA-N 1 1 268.404 3.741 20 30 CHEDMO Cc1ccc(N(C)[C@@H]2CCC[N@H+]([C@H](C)CCC#N)C2)cc1 ZINC000839552206 1132223414 /nfs/dbraw/zinc/22/34/14/1132223414.db2.gz ZWYFWZVRLWXNHN-SJLPKXTDSA-N 1 1 285.435 3.588 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000839669235 1132228764 /nfs/dbraw/zinc/22/87/64/1132228764.db2.gz DRFAZUSMZTXRQH-ZDUSSCGKSA-N 1 1 287.831 3.573 20 30 CHEDMO CCC(CC)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC001141662603 1132228857 /nfs/dbraw/zinc/22/88/57/1132228857.db2.gz SPMSFEOTGWCEGK-UHFFFAOYSA-N 1 1 295.224 3.941 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141739085 1132243655 /nfs/dbraw/zinc/24/36/55/1132243655.db2.gz FALULESAFJBJRJ-INIZCTEOSA-N 1 1 288.394 3.993 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141739085 1132243660 /nfs/dbraw/zinc/24/36/60/1132243660.db2.gz FALULESAFJBJRJ-INIZCTEOSA-N 1 1 288.394 3.993 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001172494456 1132247825 /nfs/dbraw/zinc/24/78/25/1132247825.db2.gz UXJIKQOVBKGPII-VQIMIIECSA-N 1 1 293.414 3.975 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)CCc1ccccc1Cl ZINC001172499584 1132249428 /nfs/dbraw/zinc/24/94/28/1132249428.db2.gz FBOPJMZJUBSUNT-ZDUSSCGKSA-N 1 1 264.800 3.897 20 30 CHEDMO 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CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000489392634 332049881 /nfs/dbraw/zinc/04/98/81/332049881.db2.gz AVQVZIADHOQHBG-INIZCTEOSA-N 1 1 295.386 3.809 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000489392634 332049882 /nfs/dbraw/zinc/04/98/82/332049882.db2.gz AVQVZIADHOQHBG-INIZCTEOSA-N 1 1 295.386 3.809 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000489392637 332049942 /nfs/dbraw/zinc/04/99/42/332049942.db2.gz AVQVZIADHOQHBG-MRXNPFEDSA-N 1 1 295.386 3.809 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000489392637 332049943 /nfs/dbraw/zinc/04/99/43/332049943.db2.gz AVQVZIADHOQHBG-MRXNPFEDSA-N 1 1 295.386 3.809 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000489408170 332050528 /nfs/dbraw/zinc/05/05/28/332050528.db2.gz QSRDNJYVLLDUFW-OAHLLOKOSA-N 1 1 274.408 3.799 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1CC ZINC000489432724 332051775 /nfs/dbraw/zinc/05/17/75/332051775.db2.gz GTYNKWHDOYDFLI-MRXNPFEDSA-N 1 1 286.419 3.536 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1CC ZINC000489432724 332051776 /nfs/dbraw/zinc/05/17/76/332051776.db2.gz GTYNKWHDOYDFLI-MRXNPFEDSA-N 1 1 286.419 3.536 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000489448388 332053091 /nfs/dbraw/zinc/05/30/91/332053091.db2.gz MCPBLZLTJQFGJH-CQSZACIVSA-N 1 1 260.768 3.752 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000489448388 332053092 /nfs/dbraw/zinc/05/30/92/332053092.db2.gz MCPBLZLTJQFGJH-CQSZACIVSA-N 1 1 260.768 3.752 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000489461761 332053985 /nfs/dbraw/zinc/05/39/85/332053985.db2.gz JBNYZIBUCCSFAV-INIZCTEOSA-N 1 1 252.361 3.775 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CCCOCCc1ccccc1 ZINC000489469432 332054415 /nfs/dbraw/zinc/05/44/15/332054415.db2.gz BDYWUVINGUJKMU-GOSISDBHSA-N 1 1 273.420 3.676 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000489490753 332055898 /nfs/dbraw/zinc/05/58/98/332055898.db2.gz OARDKVPWHBGOFN-INIZCTEOSA-N 1 1 270.351 3.914 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000489492011 332056504 /nfs/dbraw/zinc/05/65/04/332056504.db2.gz PSCXCTYJZBTVMN-OAHLLOKOSA-N 1 1 292.810 3.709 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000489521023 332058120 /nfs/dbraw/zinc/05/81/20/332058120.db2.gz ZLUNDEVKEOABPK-INIZCTEOSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000489521023 332058122 /nfs/dbraw/zinc/05/81/22/332058122.db2.gz ZLUNDEVKEOABPK-INIZCTEOSA-N 1 1 285.366 3.552 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000489567982 332059587 /nfs/dbraw/zinc/05/95/87/332059587.db2.gz RCYNWJRLGKJNGI-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCCSc1ccccc1Cl ZINC000489577274 332059904 /nfs/dbraw/zinc/05/99/04/332059904.db2.gz LRDABXMBOXVLSF-LBPRGKRZSA-N 1 1 282.840 3.914 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCCSc1ccccc1Cl ZINC000489577274 332059905 /nfs/dbraw/zinc/05/99/05/332059905.db2.gz 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ZINC000178380150 333071808 /nfs/dbraw/zinc/07/18/08/333071808.db2.gz JFWBDBORHZZGLM-ZDUSSCGKSA-N 1 1 298.361 3.986 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000178380150 333071810 /nfs/dbraw/zinc/07/18/10/333071810.db2.gz JFWBDBORHZZGLM-ZDUSSCGKSA-N 1 1 298.361 3.986 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCCC1 ZINC000178511259 333074487 /nfs/dbraw/zinc/07/44/87/333074487.db2.gz XXTZBLXQINGVNO-UHFFFAOYSA-N 1 1 256.393 3.862 20 30 CHEDMO N#CCC[N@@H+](CC1CC1)CC1CCC(C(F)(F)F)CC1 ZINC000185509692 333142283 /nfs/dbraw/zinc/14/22/83/333142283.db2.gz OYVFNZNKVJNUCT-UHFFFAOYSA-N 1 1 288.357 3.981 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000189348685 333191052 /nfs/dbraw/zinc/19/10/52/333191052.db2.gz VDWXAAMFZZEVIU-CYBMUJFWSA-N 1 1 268.335 3.890 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)cs1)Cc1ccc(C#N)cc1 ZINC000194328918 333269241 /nfs/dbraw/zinc/26/92/41/333269241.db2.gz HMKCAVLVBONEOD-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000229748319 333309264 /nfs/dbraw/zinc/30/92/64/333309264.db2.gz RSVBXOGQLLESDE-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccncc1 ZINC000233443848 333352429 /nfs/dbraw/zinc/35/24/29/333352429.db2.gz RBZGRLNVCAZAFD-UHFFFAOYSA-N 1 1 259.397 3.624 20 30 CHEDMO COc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)ccc1C#N ZINC000235002800 333364215 /nfs/dbraw/zinc/36/42/15/333364215.db2.gz QBLILLACHOSZDE-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)ccc1C#N ZINC000235002800 333364216 /nfs/dbraw/zinc/36/42/16/333364216.db2.gz QBLILLACHOSZDE-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000315646927 333382874 /nfs/dbraw/zinc/38/28/74/333382874.db2.gz WNMPRURESYGBKM-CQSZACIVSA-N 1 1 298.361 3.769 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000315646924 333383077 /nfs/dbraw/zinc/38/30/77/333383077.db2.gz WNMPRURESYGBKM-AWEZNQCLSA-N 1 1 298.361 3.769 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1C#N ZINC000524757327 333386922 /nfs/dbraw/zinc/38/69/22/333386922.db2.gz UXDOGTPRGCAAEU-KEYYUXOJSA-N 1 1 254.377 3.711 20 30 CHEDMO CCC[N@@H+](CCCSCC#N)Cc1ccc(C)cc1 ZINC000524791971 333388103 /nfs/dbraw/zinc/38/81/03/333388103.db2.gz NWYSJGZUOITJSH-UHFFFAOYSA-N 1 1 276.449 3.854 20 30 CHEDMO N#CCC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000541021074 333759548 /nfs/dbraw/zinc/75/95/48/333759548.db2.gz UWKRNJJHESHMEV-UHFFFAOYSA-N 1 1 299.349 3.606 20 30 CHEDMO C=CC[N@H+](CCc1scnc1C)Cc1ccccc1F ZINC000074351465 334004470 /nfs/dbraw/zinc/00/44/70/334004470.db2.gz JMMQEVSOTPCJBP-UHFFFAOYSA-N 1 1 290.407 3.821 20 30 CHEDMO N#CCSCCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000074981907 334021840 /nfs/dbraw/zinc/02/18/40/334021840.db2.gz CZQJCOWPDCEFQA-UHFFFAOYSA-N 1 1 294.851 3.951 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000547292437 334076271 /nfs/dbraw/zinc/07/62/71/334076271.db2.gz KUPVJCCBWQYYEA-BBRMVZONSA-N 1 1 292.423 3.627 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000134726059 334101921 /nfs/dbraw/zinc/10/19/21/334101921.db2.gz SYADUXNDOJZHJF-INIZCTEOSA-N 1 1 272.392 3.592 20 30 CHEDMO C[C@@H](c1ccco1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135008454 334111884 /nfs/dbraw/zinc/11/18/84/334111884.db2.gz IJUTWQNWVBTNEE-ZDUSSCGKSA-N 1 1 273.763 3.978 20 30 CHEDMO C[C@@H](c1ccco1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135008454 334111885 /nfs/dbraw/zinc/11/18/85/334111885.db2.gz IJUTWQNWVBTNEE-ZDUSSCGKSA-N 1 1 273.763 3.978 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)S1 ZINC000135255998 334122049 /nfs/dbraw/zinc/12/20/49/334122049.db2.gz QQJLMKRDCKNVCP-OKILXGFUSA-N 1 1 288.460 3.814 20 30 CHEDMO C=C(C)CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413663 334193229 /nfs/dbraw/zinc/19/32/29/334193229.db2.gz OAWPUSKRAWLRNN-OAHLLOKOSA-N 1 1 251.320 3.662 20 30 CHEDMO Fc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000550210671 334215882 /nfs/dbraw/zinc/21/58/82/334215882.db2.gz MABLCSASJDZQEZ-KRWDZBQOSA-N 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ZINC001209439569 1118059273 /nfs/dbraw/zinc/05/92/73/1118059273.db2.gz SZFYGIRKBNSBOQ-QGZVFWFLSA-N 1 1 264.457 3.683 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001209442382 1118060701 /nfs/dbraw/zinc/06/07/01/1118060701.db2.gz HHRKYBPJAFJMNL-HNNXBMFYSA-N 1 1 269.404 3.906 20 30 CHEDMO C=CC[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C(C)C ZINC001167227857 1118107706 /nfs/dbraw/zinc/10/77/06/1118107706.db2.gz ZMWVVMKVYGVQEE-GJZGRUSLSA-N 1 1 265.347 3.932 20 30 CHEDMO CCCCCCCN1CCC([NH+]2CCCC2)CC1 ZINC000157905268 1119420918 /nfs/dbraw/zinc/42/09/18/1119420918.db2.gz XTRDCXDVMHBQHU-UHFFFAOYSA-N 1 1 252.446 3.517 20 30 CHEDMO N#CCc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000543207897 1120464059 /nfs/dbraw/zinc/46/40/59/1120464059.db2.gz LZYHMPXXAZOGIF-UHFFFAOYSA-N 1 1 254.377 3.660 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccsc2Cl)cc1 ZINC000312559100 1120468480 /nfs/dbraw/zinc/46/84/80/1120468480.db2.gz MKSHLODQBYAIKY-UHFFFAOYSA-N 1 1 262.765 3.563 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000512185123 1121151191 /nfs/dbraw/zinc/15/11/91/1121151191.db2.gz ZMVJJDJBZYOEET-HNNXBMFYSA-N 1 1 277.408 3.895 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC001176020766 1121526328 /nfs/dbraw/zinc/52/63/28/1121526328.db2.gz LESXUHNRPISDIX-INIZCTEOSA-N 1 1 265.441 3.850 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000397683650 1121694254 /nfs/dbraw/zinc/69/42/54/1121694254.db2.gz JJZLCVGHOJXDQZ-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000397683650 1121694257 /nfs/dbraw/zinc/69/42/57/1121694257.db2.gz JJZLCVGHOJXDQZ-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC001193608333 1122700976 /nfs/dbraw/zinc/70/09/76/1122700976.db2.gz XNAKUVAMVFPRHG-LKTVYLICSA-N 1 1 298.213 3.825 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCC2(COC2)C1 ZINC001201839676 1123154722 /nfs/dbraw/zinc/15/47/22/1123154722.db2.gz PLNWTKVBBMXVNR-UHFFFAOYSA-N 1 1 253.430 3.849 20 30 CHEDMO C=CCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000525123849 1124115650 /nfs/dbraw/zinc/11/56/50/1124115650.db2.gz DNZYRUKZZZMGHE-CABCVRRESA-N 1 1 251.414 3.622 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+](C)CCC1CC1 ZINC001138665231 1131534461 /nfs/dbraw/zinc/53/44/61/1131534461.db2.gz JFDQEGDDUOXTKA-UHFFFAOYSA-N 1 1 259.393 3.873 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171222934 1131707586 /nfs/dbraw/zinc/70/75/86/1131707586.db2.gz JUKKLVWSSRUOQA-YOEHRIQHSA-N 1 1 256.393 3.754 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccccc1-c1nccs1 ZINC001140453017 1131745169 /nfs/dbraw/zinc/74/51/69/1131745169.db2.gz ULWTYAABZZNGSX-UHFFFAOYSA-N 1 1 271.389 3.546 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccccc1-c1nccs1 ZINC001140453017 1131745174 /nfs/dbraw/zinc/74/51/74/1131745174.db2.gz ULWTYAABZZNGSX-UHFFFAOYSA-N 1 1 271.389 3.546 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001172355864 1132183837 /nfs/dbraw/zinc/18/38/37/1132183837.db2.gz DSRZVHJPPBIQID-JYJNAYRXSA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@@H](CC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001172357944 1132186580 /nfs/dbraw/zinc/18/65/80/1132186580.db2.gz NIAZBAHGCDGQRF-CYBMUJFWSA-N 1 1 279.432 3.557 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001172504227 1132252590 /nfs/dbraw/zinc/25/25/90/1132252590.db2.gz FBZPZFKYMCEDLR-KSZLIROESA-N 1 1 299.499 3.581 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001172501383 1132249241 /nfs/dbraw/zinc/24/92/41/1132249241.db2.gz QASGGHIXFYSAIF-ZFWWWQNUSA-N 1 1 260.356 3.697 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CC2CC2)C2CC2)c1 ZINC001231624220 1132328689 /nfs/dbraw/zinc/32/86/89/1132328689.db2.gz JKNXGYIXPXQFHQ-UHFFFAOYSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cnc(SC)cc1C ZINC001232350305 1132457871 /nfs/dbraw/zinc/45/78/71/1132457871.db2.gz RMJYLSYSTUVIRY-UHFFFAOYSA-N 1 1 264.438 3.900 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC001232608951 1132492347 /nfs/dbraw/zinc/49/23/47/1132492347.db2.gz CGORLGSDCPUHJZ-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171497 1132513421 /nfs/dbraw/zinc/51/34/21/1132513421.db2.gz ZIPHRVSQLZVXJV-NSHDSACASA-N 1 1 264.319 3.601 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC001204299859 1133432908 /nfs/dbraw/zinc/43/29/08/1133432908.db2.gz CHGYGHKIMOYCGY-CABCVRRESA-N 1 1 259.393 3.872 20 30 CHEDMO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@H](C#N)CC1 ZINC001207678863 1133838103 /nfs/dbraw/zinc/83/81/03/1133838103.db2.gz SKSORXIHJLOKSM-HZPDHXFCSA-N 1 1 280.456 3.579 20 30 CHEDMO C=CCCCCCCCCC[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001207900078 1133859303 /nfs/dbraw/zinc/85/93/03/1133859303.db2.gz SLTDHAQHMTXKEF-KRWDZBQOSA-N 1 1 294.483 3.846 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CCn2ccnc2C1 ZINC001208119583 1133880747 /nfs/dbraw/zinc/88/07/47/1133880747.db2.gz FPMQAJYSJPAGPS-CMDGGOBGSA-N 1 1 261.413 3.615 20 30 CHEDMO CCCCCCC/C=C/C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001208120031 1133881101 /nfs/dbraw/zinc/88/11/01/1133881101.db2.gz KTEZCFUSVIFOAL-FHQWLQQXSA-N 1 1 271.420 3.555 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001208120031 1133881106 /nfs/dbraw/zinc/88/11/06/1133881106.db2.gz KTEZCFUSVIFOAL-FHQWLQQXSA-N 1 1 271.420 3.555 20 30 CHEDMO C#C[C@H]1CCC[N@H+](CC[C@H](C)CCCC(C)(C)OC)C1 ZINC001208217061 1133908930 /nfs/dbraw/zinc/90/89/30/1133908930.db2.gz IFKQUGNOZDMGAJ-SJORKVTESA-N 1 1 279.468 3.953 20 30 CHEDMO CC(C)(CC[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001208668190 1133926014 /nfs/dbraw/zinc/92/60/14/1133926014.db2.gz USGVOGMRFXEBED-HNNXBMFYSA-N 1 1 256.393 3.590 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC001209443471 1134021749 /nfs/dbraw/zinc/02/17/49/1134021749.db2.gz SNRYAYNRGIKLCQ-HOTGVXAUSA-N 1 1 253.430 3.606 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC001209444671 1134022658 /nfs/dbraw/zinc/02/26/58/1134022658.db2.gz XKLDTYGTBYAUFW-KRWDZBQOSA-N 1 1 280.456 3.504 20 30 CHEDMO CCCCCCCCCO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224392216 1135444385 /nfs/dbraw/zinc/44/43/85/1135444385.db2.gz IKOXJKABBXHZFH-OAHLLOKOSA-N 1 1 264.413 3.965 20 30 CHEDMO CS[C@@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000134550057 1125518840 /nfs/dbraw/zinc/51/88/40/1125518840.db2.gz WSSVTEHMUVXHNG-CYBMUJFWSA-N 1 1 254.443 3.534 20 30 CHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCCSCC#N ZINC000135354509 1125524566 /nfs/dbraw/zinc/52/45/66/1125524566.db2.gz LODPBRBRYGHLKA-UONOGXRCSA-N 1 1 254.443 3.534 20 30 CHEDMO CC[N@@H+](Cc1nc(C)ccc1O)[C@H](C)c1ccc(C#N)cc1 ZINC000119855494 1125539676 /nfs/dbraw/zinc/53/96/76/1125539676.db2.gz MNPPYRCBQIXHON-CQSZACIVSA-N 1 1 295.386 3.550 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000061758568 1125545627 /nfs/dbraw/zinc/54/56/27/1125545627.db2.gz ALRVPSZJUNUICB-ZDUSSCGKSA-N 1 1 271.364 3.696 20 30 CHEDMO CC[N@@H+](CCc1nccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000121055264 1125556228 /nfs/dbraw/zinc/55/62/28/1125556228.db2.gz NJTGFXSAXVZOTK-ZDUSSCGKSA-N 1 1 285.416 3.640 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000245409827 1125571088 /nfs/dbraw/zinc/57/10/88/1125571088.db2.gz ODJUFPIJSGRQOB-NVXWUHKLSA-N 1 1 286.419 3.778 20 30 CHEDMO C=C(C)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000509672848 1125572670 /nfs/dbraw/zinc/57/26/70/1125572670.db2.gz WWNKQNBUUWVBJU-UHFFFAOYSA-N 1 1 275.236 3.769 20 30 CHEDMO C[C@@H]([N@@H+](C)Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC000532929069 1125589163 /nfs/dbraw/zinc/58/91/63/1125589163.db2.gz YSELKUBKVRYJAQ-CYBMUJFWSA-N 1 1 269.392 3.677 20 30 CHEDMO COc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC(C)C ZINC000536639786 1125593240 /nfs/dbraw/zinc/59/32/40/1125593240.db2.gz IAYXJZCSQSFUIF-UHFFFAOYSA-N 1 1 290.407 3.606 20 30 CHEDMO COc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC(C)C ZINC000536639786 1125593244 /nfs/dbraw/zinc/59/32/44/1125593244.db2.gz IAYXJZCSQSFUIF-UHFFFAOYSA-N 1 1 290.407 3.606 20 30 CHEDMO COc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1C#N ZINC000533539381 1125613535 /nfs/dbraw/zinc/61/35/35/1125613535.db2.gz QTGXNCMAZJFCJO-FRFSOERESA-N 1 1 284.403 3.720 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000533596448 1125617284 /nfs/dbraw/zinc/61/72/84/1125617284.db2.gz MVFUGSAJGFEBNA-CQSZACIVSA-N 1 1 264.372 3.964 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000533596448 1125617286 /nfs/dbraw/zinc/61/72/86/1125617286.db2.gz MVFUGSAJGFEBNA-CQSZACIVSA-N 1 1 264.372 3.964 20 30 CHEDMO C[C@H](C#N)C[N@H+](CCCOc1ccc(Cl)cc1)C1CC1 ZINC000533596543 1125618466 /nfs/dbraw/zinc/61/84/66/1125618466.db2.gz KFWJLNNIJGOVRX-CYBMUJFWSA-N 1 1 292.810 3.733 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CCCOc1ccc(Cl)cc1)C1CC1 ZINC000533596543 1125618469 /nfs/dbraw/zinc/61/84/69/1125618469.db2.gz KFWJLNNIJGOVRX-CYBMUJFWSA-N 1 1 292.810 3.733 20 30 CHEDMO CC(C)(C)c1csc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000105498570 1125626468 /nfs/dbraw/zinc/62/64/68/1125626468.db2.gz WLUUFJZUZAFRIQ-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885927992 1125627805 /nfs/dbraw/zinc/62/78/05/1125627805.db2.gz YXSGKRZSQIOVBV-ZWKOTPCHSA-N 1 1 298.430 3.577 20 30 CHEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 ZINC000247047208 1125653687 /nfs/dbraw/zinc/65/36/87/1125653687.db2.gz VPRITBLRRWQEJQ-NUJGCVRESA-N 1 1 281.403 3.556 20 30 CHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358359 1125673073 /nfs/dbraw/zinc/67/30/73/1125673073.db2.gz TYCVIIQRPDYOQT-CABCVRRESA-N 1 1 280.371 3.748 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000076738251 1125683744 /nfs/dbraw/zinc/68/37/44/1125683744.db2.gz NVBAVDANJCXLMB-ZDUSSCGKSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886541483 1125686727 /nfs/dbraw/zinc/68/67/27/1125686727.db2.gz XDIXJRYLVHTCDR-KBAYOESNSA-N 1 1 298.430 3.514 20 30 CHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886541484 1125686824 /nfs/dbraw/zinc/68/68/24/1125686824.db2.gz XDIXJRYLVHTCDR-NJAFHUGGSA-N 1 1 298.430 3.514 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000886540276 1125686961 /nfs/dbraw/zinc/68/69/61/1125686961.db2.gz BTBRHKSDTQXDPK-WBMJQRKESA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000886540276 1125686963 /nfs/dbraw/zinc/68/69/63/1125686963.db2.gz BTBRHKSDTQXDPK-WBMJQRKESA-N 1 1 283.400 3.598 20 30 CHEDMO CC[N@@H+](CCC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000127670786 1125698486 /nfs/dbraw/zinc/69/84/86/1125698486.db2.gz CPPVVBSKPBMHPH-GFCCVEGCSA-N 1 1 295.224 3.788 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccco1 ZINC000090665716 1125744571 /nfs/dbraw/zinc/74/45/71/1125744571.db2.gz PINXTKLRYIODQV-UKRRQHHQSA-N 1 1 254.333 3.975 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000093689505 1125772346 /nfs/dbraw/zinc/77/23/46/1125772346.db2.gz VTTGKEDKNQLCGW-CXAGYDPISA-N 1 1 266.344 3.529 20 30 CHEDMO C=C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000509684221 1125778656 /nfs/dbraw/zinc/77/86/56/1125778656.db2.gz SSYLFFRDAMBAOP-UHFFFAOYSA-N 1 1 255.283 3.857 20 30 CHEDMO C#CCCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000766896391 1129768570 /nfs/dbraw/zinc/76/85/70/1129768570.db2.gz NKRIJKCDQRVDFW-CZUORRHYSA-N 1 1 257.377 3.781 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769896262 1129929122 /nfs/dbraw/zinc/92/91/22/1129929122.db2.gz GMSQGTINMKAVDU-STQMWFEESA-N 1 1 281.362 3.592 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000785997279 1130072934 /nfs/dbraw/zinc/07/29/34/1130072934.db2.gz KKCFLALMXPAXIE-SWLSCSKDSA-N 1 1 283.774 3.553 20 30 CHEDMO CCOc1ccc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001238717534 1131237004 /nfs/dbraw/zinc/23/70/04/1131237004.db2.gz RMPUKBLDJFNVJL-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO CCCCCCOc1cccc(C[NH2+]CCC#N)c1 ZINC000787298072 1130142478 /nfs/dbraw/zinc/14/24/78/1130142478.db2.gz FBKDHDIWRKYFGU-UHFFFAOYSA-N 1 1 260.381 3.649 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000481731424 1126710093 /nfs/dbraw/zinc/71/00/93/1126710093.db2.gz QIKGHPTXFDFAGM-RISCZKNCSA-N 1 1 282.309 3.721 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC000899995405 1126722184 /nfs/dbraw/zinc/72/21/84/1126722184.db2.gz ZJCSRXTZIKENFT-CQSZACIVSA-N 1 1 288.395 3.882 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000482151474 1126742683 /nfs/dbraw/zinc/74/26/83/1126742683.db2.gz SZGQINUDISNKHF-UHFFFAOYSA-N 1 1 299.370 3.741 20 30 CHEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CCc1nccs1 ZINC000159775615 1126752340 /nfs/dbraw/zinc/75/23/40/1126752340.db2.gz QQXFQWOBXGLULQ-UHFFFAOYSA-N 1 1 279.453 3.726 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cc(C)on1)c1ccccc1 ZINC000159931818 1126758142 /nfs/dbraw/zinc/75/81/42/1126758142.db2.gz BCYFMWGHJONIPF-INIZCTEOSA-N 1 1 256.349 3.780 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000482483765 1126760299 /nfs/dbraw/zinc/76/02/99/1126760299.db2.gz JGIZTKXBIOGKRV-SKDRFNHKSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000482483765 1126760302 /nfs/dbraw/zinc/76/03/02/1126760302.db2.gz JGIZTKXBIOGKRV-SKDRFNHKSA-N 1 1 288.338 3.783 20 30 CHEDMO CCCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC000483185507 1126772246 /nfs/dbraw/zinc/77/22/46/1126772246.db2.gz NNXUOVOZOBPBMO-UHFFFAOYSA-N 1 1 299.393 3.838 20 30 CHEDMO CCCCCCCCN(CC[NH3+])[C@@H]1CCO[C@@H](CC)C1 ZINC001170178085 1130454468 /nfs/dbraw/zinc/45/44/68/1130454468.db2.gz MUGUKVBXSUGOML-SJORKVTESA-N 1 1 284.488 3.565 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(N(C)CC)nc1 ZINC000483269883 1126777160 /nfs/dbraw/zinc/77/71/60/1126777160.db2.gz OFOOICIOCZUWEG-UHFFFAOYSA-N 1 1 275.440 3.716 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000483273696 1126777227 /nfs/dbraw/zinc/77/72/27/1126777227.db2.gz UOKANDGYBPGRDX-CQSZACIVSA-N 1 1 284.403 3.599 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000483273696 1126777231 /nfs/dbraw/zinc/77/72/31/1126777231.db2.gz UOKANDGYBPGRDX-CQSZACIVSA-N 1 1 284.403 3.599 20 30 CHEDMO Cc1ccc2ccccc2c1C[N@H+](C)C[C@@H](C)C#N ZINC000483267707 1126777280 /nfs/dbraw/zinc/77/72/80/1126777280.db2.gz YQHIPNSKRFPIOW-ZDUSSCGKSA-N 1 1 252.361 3.740 20 30 CHEDMO CC[C@@H](C[N@@H+](CC)Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000483372757 1126783726 /nfs/dbraw/zinc/78/37/26/1126783726.db2.gz WTISWUFGXCIBGI-KRWDZBQOSA-N 1 1 295.430 3.912 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001170286617 1130479893 /nfs/dbraw/zinc/47/98/93/1130479893.db2.gz CXIUFOCXOHNZEG-UONOGXRCSA-N 1 1 261.796 3.616 20 30 CHEDMO COc1cccc([C@@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000160958732 1126791367 /nfs/dbraw/zinc/79/13/67/1126791367.db2.gz QRQNKDKGYLMPLH-INIZCTEOSA-N 1 1 258.365 3.526 20 30 CHEDMO Fc1cccc(F)c1[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483691973 1126797530 /nfs/dbraw/zinc/79/75/30/1126797530.db2.gz VKOMBDKQHNLOGX-MRXNPFEDSA-N 1 1 297.348 3.806 20 30 CHEDMO Fc1cccc(F)c1[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483691973 1126797533 /nfs/dbraw/zinc/79/75/33/1126797533.db2.gz VKOMBDKQHNLOGX-MRXNPFEDSA-N 1 1 297.348 3.806 20 30 CHEDMO Fc1ccc(C[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000483966294 1126806910 /nfs/dbraw/zinc/80/69/10/1126806910.db2.gz SWORQDAUZBJELS-IBGZPJMESA-N 1 1 293.385 3.742 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC=CO1 ZINC000793227603 1130531285 /nfs/dbraw/zinc/53/12/85/1130531285.db2.gz UDCGLHBLBYHRLI-QGZVFWFLSA-N 1 1 257.377 3.757 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC000483962466 1126805402 /nfs/dbraw/zinc/80/54/02/1126805402.db2.gz YTKVOWUHWKVNIR-INIZCTEOSA-N 1 1 298.336 3.826 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483921262 1126805999 /nfs/dbraw/zinc/80/59/99/1126805999.db2.gz JGRNXCVTPMMLDG-FQEVSTJZSA-N 1 1 275.395 3.702 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCCC2(CCCC2)C1 ZINC000484024258 1126809927 /nfs/dbraw/zinc/80/99/27/1126809927.db2.gz SVAXYUVBCGHQEN-UHFFFAOYSA-N 1 1 253.389 3.694 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](CC)c1ccc(F)cc1F ZINC000484573393 1126828318 /nfs/dbraw/zinc/82/83/18/1126828318.db2.gz JDAIGOVVUHTTIU-HNNXBMFYSA-N 1 1 269.335 3.550 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179430846 1126828735 /nfs/dbraw/zinc/82/87/35/1126828735.db2.gz KYBJEBTUFHFYAJ-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179430846 1126828740 /nfs/dbraw/zinc/82/87/40/1126828740.db2.gz KYBJEBTUFHFYAJ-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cccc(Br)c1 ZINC000484577063 1126829229 /nfs/dbraw/zinc/82/92/29/1126829229.db2.gz SAYDAEAORWLZFT-LBPRGKRZSA-N 1 1 298.224 3.645 20 30 CHEDMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000036991941 1126848565 /nfs/dbraw/zinc/84/85/65/1126848565.db2.gz QWRSFGXFAAAMCR-WDEREUQCSA-N 1 1 271.389 3.735 20 30 CHEDMO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000036991944 1126848698 /nfs/dbraw/zinc/84/86/98/1126848698.db2.gz QWRSFGXFAAAMCR-MNOVXSKESA-N 1 1 271.389 3.735 20 30 CHEDMO C=CCC[C@H](CC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234422034 1130642677 /nfs/dbraw/zinc/64/26/77/1130642677.db2.gz GYWVSTCELDMWIA-HNNXBMFYSA-N 1 1 259.393 3.798 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1[nH]c(C)nc1C ZINC001234627667 1130662731 /nfs/dbraw/zinc/66/27/31/1130662731.db2.gz QTBWYUNCYCENFO-UHFFFAOYSA-N 1 1 251.418 3.819 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cc(C)cc(C)c2)no1 ZINC000904548338 1126856755 /nfs/dbraw/zinc/85/67/55/1126856755.db2.gz IOADLOCBWGKITO-HNNXBMFYSA-N 1 1 285.391 3.633 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](C)c2ccccc2C)no1 ZINC000904632965 1126863776 /nfs/dbraw/zinc/86/37/76/1126863776.db2.gz FAHCKVOUEGPGFT-HIFRSBDPSA-N 1 1 285.391 3.886 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@@H]2CCCOC2)no1 ZINC000904693811 1126866717 /nfs/dbraw/zinc/86/67/17/1126866717.db2.gz BYBNQTXVBXTPPB-KGLIPLIRSA-N 1 1 295.427 3.714 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000904722173 1126866847 /nfs/dbraw/zinc/86/68/47/1126866847.db2.gz QUNXRJDXXAMLLD-HNNXBMFYSA-N 1 1 297.402 3.814 20 30 CHEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000182586144 1126874505 /nfs/dbraw/zinc/87/45/05/1126874505.db2.gz ICBATIDTARCRHM-WFASDCNBSA-N 1 1 275.783 3.824 20 30 CHEDMO C[C@H]1CCCC[C@@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000182944836 1126879894 /nfs/dbraw/zinc/87/98/94/1126879894.db2.gz PLKQAVJRKMJVLQ-DOTOQJQBSA-N 1 1 271.408 3.624 20 30 CHEDMO C[C@H]1CCCC[C@@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000182944836 1126879895 /nfs/dbraw/zinc/87/98/95/1126879895.db2.gz PLKQAVJRKMJVLQ-DOTOQJQBSA-N 1 1 271.408 3.624 20 30 CHEDMO C[C@@H]1CCCC[C@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000182944855 1126879941 /nfs/dbraw/zinc/87/99/41/1126879941.db2.gz PLKQAVJRKMJVLQ-WBVHZDCISA-N 1 1 271.408 3.624 20 30 CHEDMO C[C@@H]1CCCC[C@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000182944855 1126879943 /nfs/dbraw/zinc/87/99/43/1126879943.db2.gz PLKQAVJRKMJVLQ-WBVHZDCISA-N 1 1 271.408 3.624 20 30 CHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183260410 1126884239 /nfs/dbraw/zinc/88/42/39/1126884239.db2.gz DPWXANBOAUOCSI-ZDUSSCGKSA-N 1 1 294.389 3.656 20 30 CHEDMO N#Cc1cccc(C[NH+]2CC(Cc3ccccc3Cl)C2)c1 ZINC000485303325 1126903059 /nfs/dbraw/zinc/90/30/59/1126903059.db2.gz NDBDOUAGVIADFQ-UHFFFAOYSA-N 1 1 296.801 3.886 20 30 CHEDMO Cc1cccnc1[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000905668321 1126910330 /nfs/dbraw/zinc/91/03/30/1126910330.db2.gz HWSHVCKYAXUIDS-HOCLYGCPSA-N 1 1 284.407 3.510 20 30 CHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)C(C)C ZINC000245571813 1129212772 /nfs/dbraw/zinc/21/27/72/1129212772.db2.gz YBMYVKQRJGGPFB-LSDHHAIUSA-N 1 1 274.408 3.844 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1c(N)ccnc1Cl ZINC001235661915 1130761710 /nfs/dbraw/zinc/76/17/10/1130761710.db2.gz ACPNFYODKIUZLT-UHFFFAOYSA-N 1 1 269.820 3.719 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(N)ccnc1Cl ZINC001235661915 1130761715 /nfs/dbraw/zinc/76/17/15/1130761715.db2.gz ACPNFYODKIUZLT-UHFFFAOYSA-N 1 1 269.820 3.719 20 30 CHEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000782455284 1130779225 /nfs/dbraw/zinc/77/92/25/1130779225.db2.gz RNPXSKYITOSZIG-UHFFFAOYSA-N 1 1 268.744 3.645 20 30 CHEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000782455284 1130779231 /nfs/dbraw/zinc/77/92/31/1130779231.db2.gz RNPXSKYITOSZIG-UHFFFAOYSA-N 1 1 268.744 3.645 20 30 CHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226827 1126949585 /nfs/dbraw/zinc/94/95/85/1126949585.db2.gz KNPYTXVJJYFLHF-LBPRGKRZSA-N 1 1 287.794 3.743 20 30 CHEDMO N#Cc1cccc2c1C[N@H+]([C@@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590367 1126959329 /nfs/dbraw/zinc/95/93/29/1126959329.db2.gz PRUMFXCBCXIRER-FUHWJXTLSA-N 1 1 278.330 3.569 20 30 CHEDMO N#Cc1cccc2c1C[N@@H+]([C@@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590367 1126959333 /nfs/dbraw/zinc/95/93/33/1126959333.db2.gz PRUMFXCBCXIRER-FUHWJXTLSA-N 1 1 278.330 3.569 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000486786907 1127002032 /nfs/dbraw/zinc/00/20/32/1127002032.db2.gz GFVVXRAOVCLKKX-QGZVFWFLSA-N 1 1 259.393 3.806 20 30 CHEDMO C=CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268374470 1127016617 /nfs/dbraw/zinc/01/66/17/1127016617.db2.gz LHMCUSXTPJNCRX-CABCVRRESA-N 1 1 263.381 3.524 20 30 CHEDMO CCCCC[N@@H+](CCOc1ccccc1C#N)C(C)C ZINC000042278426 1127035795 /nfs/dbraw/zinc/03/57/95/1127035795.db2.gz OXNYGUSTPACBID-UHFFFAOYSA-N 1 1 274.408 3.838 20 30 CHEDMO CCC[N@@H+](CC)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000269352928 1127037866 /nfs/dbraw/zinc/03/78/66/1127037866.db2.gz LAEJMPHHVRLYFJ-UHFFFAOYSA-N 1 1 290.407 3.610 20 30 CHEDMO COc1ccsc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000269611546 1127043443 /nfs/dbraw/zinc/04/34/43/1127043443.db2.gz MDGKOLCMZKIMFX-AWEZNQCLSA-N 1 1 286.400 3.891 20 30 CHEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000488038364 1127053977 /nfs/dbraw/zinc/05/39/77/1127053977.db2.gz ZVBUIMIYTOVMOJ-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000488137746 1127059016 /nfs/dbraw/zinc/05/90/16/1127059016.db2.gz KOJFJFZVWZFICK-OLZOCXBDSA-N 1 1 279.346 3.511 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)c(C)c1 ZINC000488286347 1127068042 /nfs/dbraw/zinc/06/80/42/1127068042.db2.gz OWOOHCCURPBEJN-UHFFFAOYSA-N 1 1 280.371 3.690 20 30 CHEDMO Cc1c(F)ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001236717947 1130999511 /nfs/dbraw/zinc/99/95/11/1130999511.db2.gz HHVTWBBSQGTGLM-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1c(F)ccc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001236717947 1130999517 /nfs/dbraw/zinc/99/95/17/1130999517.db2.gz HHVTWBBSQGTGLM-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)nc(Cl)c1 ZINC000797605997 1130998967 /nfs/dbraw/zinc/99/89/67/1130998967.db2.gz XCVMIDKHBZZKFN-ZDUSSCGKSA-N 1 1 250.773 3.584 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)nc(Cl)c1 ZINC000797605997 1130998970 /nfs/dbraw/zinc/99/89/70/1130998970.db2.gz XCVMIDKHBZZKFN-ZDUSSCGKSA-N 1 1 250.773 3.584 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)s1 ZINC000271203623 1127073550 /nfs/dbraw/zinc/07/35/50/1127073550.db2.gz VGDGQDPMPQYFFQ-LBPRGKRZSA-N 1 1 286.375 3.748 20 30 CHEDMO CCSc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348714435 1127125421 /nfs/dbraw/zinc/12/54/21/1127125421.db2.gz YTMIUSPENNZXCK-UHFFFAOYSA-N 1 1 278.396 3.626 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2cccc(C)n12 ZINC000349541412 1127153592 /nfs/dbraw/zinc/15/35/92/1127153592.db2.gz FIXAMUCBLPRZPU-UHFFFAOYSA-N 1 1 297.427 3.892 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2cccc(C)n12 ZINC000349541412 1127153595 /nfs/dbraw/zinc/15/35/95/1127153595.db2.gz FIXAMUCBLPRZPU-UHFFFAOYSA-N 1 1 297.427 3.892 20 30 CHEDMO N#Cc1ccc(C[N@H+](CCCCCF)C2CC2)cc1 ZINC000283894036 1127161617 /nfs/dbraw/zinc/16/16/17/1127161617.db2.gz BCYWLMRKIGKUAS-UHFFFAOYSA-N 1 1 260.356 3.662 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000351757890 1127208463 /nfs/dbraw/zinc/20/84/63/1127208463.db2.gz ORFZYTXUADULAG-INIZCTEOSA-N 1 1 283.419 3.775 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]1C ZINC001237757184 1131139796 /nfs/dbraw/zinc/13/97/96/1131139796.db2.gz NYTYOGUEHTWGMF-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000589209613 1127216218 /nfs/dbraw/zinc/21/62/18/1127216218.db2.gz ONSAWIAIBRRMRU-GOSISDBHSA-N 1 1 298.430 3.991 20 30 CHEDMO CCC(CC)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000589336493 1127217577 /nfs/dbraw/zinc/21/75/77/1127217577.db2.gz LJXHCABDLVEVOH-MOPGFXCFSA-N 1 1 299.462 3.502 20 30 CHEDMO CCC(CC)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000165365325 1127222767 /nfs/dbraw/zinc/22/27/67/1127222767.db2.gz HSPZCWMPKRZTKZ-UHFFFAOYSA-N 1 1 299.418 3.540 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000589502506 1127223476 /nfs/dbraw/zinc/22/34/76/1127223476.db2.gz YEJRJAWMHRGVPT-PHIMTYICSA-N 1 1 282.309 3.665 20 30 CHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCCC ZINC001275112057 1127235992 /nfs/dbraw/zinc/23/59/92/1127235992.db2.gz XAXOQDDJYFBNGJ-SFHVURJKSA-N 1 1 292.467 3.600 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000590119717 1127248745 /nfs/dbraw/zinc/24/87/45/1127248745.db2.gz RPAVSLSXAKFUKM-IBGZPJMESA-N 1 1 276.383 3.938 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1 ZINC000352892968 1127249071 /nfs/dbraw/zinc/24/90/71/1127249071.db2.gz LTYRZGFJSQTNGX-HUUCEWRRSA-N 1 1 292.423 3.803 20 30 CHEDMO CCCC[N@@H+](CCOCCC#N)[C@@H](C)c1ccc(C)o1 ZINC000590156448 1127250126 /nfs/dbraw/zinc/25/01/26/1127250126.db2.gz NYLHSASAMXTAEP-HNNXBMFYSA-N 1 1 278.396 3.681 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000590201718 1127251699 /nfs/dbraw/zinc/25/16/99/1127251699.db2.gz LTHJKZYZPUXDOX-OAHLLOKOSA-N 1 1 292.810 3.733 20 30 CHEDMO COCc1ccccc1/C=C(/C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590362458 1127257310 /nfs/dbraw/zinc/25/73/10/1127257310.db2.gz KOZLSFGIMRLEBH-JVCXIRSZSA-N 1 1 298.430 3.862 20 30 CHEDMO COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590362458 1127257312 /nfs/dbraw/zinc/25/73/12/1127257312.db2.gz KOZLSFGIMRLEBH-JVCXIRSZSA-N 1 1 298.430 3.862 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccco1 ZINC000286227888 1127263207 /nfs/dbraw/zinc/26/32/07/1127263207.db2.gz SRGYNFMZQSQHDS-OAHLLOKOSA-N 1 1 285.391 3.538 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000057754978 1127277606 /nfs/dbraw/zinc/27/76/06/1127277606.db2.gz FAGKPWLNQKSYTG-GFCCVEGCSA-N 1 1 258.203 3.550 20 30 CHEDMO N#CCCC[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000353916536 1127278188 /nfs/dbraw/zinc/27/81/88/1127278188.db2.gz QKYANXUSYFBGNZ-CQSZACIVSA-N 1 1 271.389 3.668 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238193148 1131179062 /nfs/dbraw/zinc/17/90/62/1131179062.db2.gz YPGLAZNKEIXVAN-AWEZNQCLSA-N 1 1 262.784 3.976 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC1 ZINC000354045091 1127288339 /nfs/dbraw/zinc/28/83/39/1127288339.db2.gz PREKXBDNVDBZRY-OAHLLOKOSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CC1 ZINC000354045091 1127288342 /nfs/dbraw/zinc/28/83/42/1127288342.db2.gz PREKXBDNVDBZRY-OAHLLOKOSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000354044188 1127288557 /nfs/dbraw/zinc/28/85/57/1127288557.db2.gz GQWQEZNWRDOBMN-OAHLLOKOSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000354044188 1127288559 /nfs/dbraw/zinc/28/85/59/1127288559.db2.gz GQWQEZNWRDOBMN-OAHLLOKOSA-N 1 1 291.398 3.873 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1ccccn1 ZINC000354218589 1127298930 /nfs/dbraw/zinc/29/89/30/1127298930.db2.gz OJALGHQHGPAPRA-ZDUSSCGKSA-N 1 1 258.390 3.892 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1ccccn1 ZINC000354218589 1127298932 /nfs/dbraw/zinc/29/89/32/1127298932.db2.gz OJALGHQHGPAPRA-ZDUSSCGKSA-N 1 1 258.390 3.892 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000591378619 1127299773 /nfs/dbraw/zinc/29/97/73/1127299773.db2.gz GPSBJDMKGDJKRZ-KRWDZBQOSA-N 1 1 286.444 3.584 20 30 CHEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1ccsc1 ZINC000591478068 1127306253 /nfs/dbraw/zinc/30/62/53/1127306253.db2.gz ZBESANDCDQPTIJ-ZDUSSCGKSA-N 1 1 285.416 3.986 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000760848761 1127311034 /nfs/dbraw/zinc/31/10/34/1127311034.db2.gz ZAWXCARQUYRXLX-AWEZNQCLSA-N 1 1 293.842 3.661 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000760845174 1127311206 /nfs/dbraw/zinc/31/12/06/1127311206.db2.gz UKKRISZBBUCRGZ-AWEZNQCLSA-N 1 1 291.822 3.626 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000573491293 1127316226 /nfs/dbraw/zinc/31/62/26/1127316226.db2.gz WXIWYSDZPIYPBG-SFHVURJKSA-N 1 1 294.398 3.636 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000355209041 1127325287 /nfs/dbraw/zinc/32/52/87/1127325287.db2.gz QCRWLZJANUKDFO-ZWKOTPCHSA-N 1 1 262.356 3.546 20 30 CHEDMO Cc1cc([C@H]([NH2+]Cc2ccncc2C#N)C2CC2)ccc1F ZINC000592099831 1127333159 /nfs/dbraw/zinc/33/31/59/1127333159.db2.gz UTTZTFUNDHWEPT-GOSISDBHSA-N 1 1 295.361 3.642 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2C#N)c1 ZINC000592064169 1127333703 /nfs/dbraw/zinc/33/37/03/1127333703.db2.gz NWGLREFBNQIHHM-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccncc2C#N)c1 ZINC000592064169 1127333706 /nfs/dbraw/zinc/33/37/06/1127333706.db2.gz NWGLREFBNQIHHM-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C#N)c1 ZINC000592064171 1127333724 /nfs/dbraw/zinc/33/37/24/1127333724.db2.gz NWGLREFBNQIHHM-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)c1 ZINC000592064171 1127333726 /nfs/dbraw/zinc/33/37/26/1127333726.db2.gz NWGLREFBNQIHHM-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1=CCCC1 ZINC000592071441 1127335306 /nfs/dbraw/zinc/33/53/06/1127335306.db2.gz GEIDEPPQHOBKPA-ZWKOTPCHSA-N 1 1 266.388 3.868 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2ccncc2C#N)CCCC1(C)C ZINC000592117326 1127335581 /nfs/dbraw/zinc/33/55/81/1127335581.db2.gz WVEPCTYYPRGVHR-MRXNPFEDSA-N 1 1 269.392 3.520 20 30 CHEDMO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592125301 1127336853 /nfs/dbraw/zinc/33/68/53/1127336853.db2.gz DKUGMBDNWYTEEI-SFHVURJKSA-N 1 1 291.398 3.926 20 30 CHEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592125301 1127336857 /nfs/dbraw/zinc/33/68/57/1127336857.db2.gz DKUGMBDNWYTEEI-SFHVURJKSA-N 1 1 291.398 3.926 20 30 CHEDMO N#CC1(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000592189024 1127338205 /nfs/dbraw/zinc/33/82/05/1127338205.db2.gz WETHPZCTUVIJOB-MRXNPFEDSA-N 1 1 264.372 3.683 20 30 CHEDMO N#CC1(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000592189024 1127338208 /nfs/dbraw/zinc/33/82/08/1127338208.db2.gz WETHPZCTUVIJOB-MRXNPFEDSA-N 1 1 264.372 3.683 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000592154338 1127338468 /nfs/dbraw/zinc/33/84/68/1127338468.db2.gz PUZCPIZLBKTNOG-HUUCEWRRSA-N 1 1 280.481 3.781 20 30 CHEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c(C)s1 ZINC000592391641 1127347356 /nfs/dbraw/zinc/34/73/56/1127347356.db2.gz SESMYYARBCKQJO-LLVKDONJSA-N 1 1 285.416 3.677 20 30 CHEDMO CC(C)Cn1nccc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000592365926 1127343189 /nfs/dbraw/zinc/34/31/89/1127343189.db2.gz JXVKXJNXYDOALH-GOSISDBHSA-N 1 1 296.418 3.674 20 30 CHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592197880 1127345634 /nfs/dbraw/zinc/34/56/34/1127345634.db2.gz FGOLKUPBXVXZMM-INIZCTEOSA-N 1 1 299.374 3.621 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)s1 ZINC000592528291 1127353711 /nfs/dbraw/zinc/35/37/11/1127353711.db2.gz IHBBNUDMCYCYPV-HNNXBMFYSA-N 1 1 260.406 3.774 20 30 CHEDMO CC[C@H](OCC[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000593031762 1127368034 /nfs/dbraw/zinc/36/80/34/1127368034.db2.gz NDMOJVMRXAQKAG-INIZCTEOSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@H](OCC[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000593031762 1127368036 /nfs/dbraw/zinc/36/80/36/1127368036.db2.gz NDMOJVMRXAQKAG-INIZCTEOSA-N 1 1 274.408 3.636 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000593053921 1127370281 /nfs/dbraw/zinc/37/02/81/1127370281.db2.gz OIXFSZSBHQGRMJ-RHSMWYFYSA-N 1 1 272.392 3.509 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289269732 1127379441 /nfs/dbraw/zinc/37/94/41/1127379441.db2.gz DXHJOKXCDHRCKQ-OAHLLOKOSA-N 1 1 255.365 3.584 20 30 CHEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289269732 1127379445 /nfs/dbraw/zinc/37/94/45/1127379445.db2.gz DXHJOKXCDHRCKQ-OAHLLOKOSA-N 1 1 255.365 3.584 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289269732 1127379447 /nfs/dbraw/zinc/37/94/47/1127379447.db2.gz DXHJOKXCDHRCKQ-OAHLLOKOSA-N 1 1 255.365 3.584 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000593649451 1127393045 /nfs/dbraw/zinc/39/30/45/1127393045.db2.gz FULQELHSGLIGQL-UHFFFAOYSA-N 1 1 298.308 3.759 20 30 CHEDMO N#CC1(CC[N@H+]2CCC[C@H](OC3CCC3)C2)CCCCC1 ZINC000594020580 1127405583 /nfs/dbraw/zinc/40/55/83/1127405583.db2.gz JBYZBBMAKUZRRS-KRWDZBQOSA-N 1 1 290.451 3.884 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761048708 1127410619 /nfs/dbraw/zinc/41/06/19/1127410619.db2.gz GFXNYHNHVHEOLJ-ZWNOBZJWSA-N 1 1 268.282 3.503 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCCCC1 ZINC000594717154 1127429061 /nfs/dbraw/zinc/42/90/61/1127429061.db2.gz HSZFWXOIOIYEGG-MRXNPFEDSA-N 1 1 272.367 3.877 20 30 CHEDMO Cc1ccc(-c2ncc(C[NH2+]CC3(C#N)CC3)s2)cc1C ZINC000594614360 1127426399 /nfs/dbraw/zinc/42/63/99/1127426399.db2.gz MWXHFTNPGSRXHX-UHFFFAOYSA-N 1 1 297.427 3.820 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(C#N)cc1F ZINC000358565518 1127427397 /nfs/dbraw/zinc/42/73/97/1127427397.db2.gz ZPYZRWMYCYBGPJ-NWDGAFQWSA-N 1 1 269.323 3.504 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000358623128 1127429435 /nfs/dbraw/zinc/42/94/35/1127429435.db2.gz GVNULZNCHQVZMT-HNNXBMFYSA-N 1 1 273.376 3.561 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000358621671 1127429476 /nfs/dbraw/zinc/42/94/76/1127429476.db2.gz ZDMCXQNWOAQHES-INIZCTEOSA-N 1 1 269.392 3.676 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CCCCC1 ZINC000594980866 1127443239 /nfs/dbraw/zinc/44/32/39/1127443239.db2.gz BXZINAGIBLYJRI-UHFFFAOYSA-N 1 1 282.309 3.668 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000595290244 1127457227 /nfs/dbraw/zinc/45/72/27/1127457227.db2.gz XMTOUZXVXIWGQO-UHFFFAOYSA-N 1 1 290.819 3.948 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000595091611 1127454223 /nfs/dbraw/zinc/45/42/23/1127454223.db2.gz SBILHMKFROTSQE-CYBMUJFWSA-N 1 1 285.366 3.822 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000359295369 1127457320 /nfs/dbraw/zinc/45/73/20/1127457320.db2.gz OTQUZKNCULIRNZ-DOMZBBRYSA-N 1 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N#Cc1cncc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000929488663 1127910872 /nfs/dbraw/zinc/91/08/72/1127910872.db2.gz CZUVQEPSKUMLMK-IBGZPJMESA-N 1 1 291.398 3.723 20 30 CHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000539453385 1127923569 /nfs/dbraw/zinc/92/35/69/1127923569.db2.gz LVPPDBHHOOFIAJ-MRXNPFEDSA-N 1 1 274.383 3.628 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000539827482 1127943992 /nfs/dbraw/zinc/94/39/92/1127943992.db2.gz DCTAJXVTZDVGSD-KXBFYZLASA-N 1 1 276.383 3.936 20 30 CHEDMO Cc1cncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000375541181 1127947433 /nfs/dbraw/zinc/94/74/33/1127947433.db2.gz MOTDHHOPVLCWDF-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1cncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000375541181 1127947437 /nfs/dbraw/zinc/94/74/37/1127947437.db2.gz MOTDHHOPVLCWDF-OALUTQOASA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1cncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000375541177 1127947641 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C=CCC[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000467292774 1127964233 /nfs/dbraw/zinc/96/42/33/1127964233.db2.gz WDCUIUABUFNIPQ-UHFFFAOYSA-N 1 1 272.417 3.742 20 30 CHEDMO C=CCC[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000467292774 1127964237 /nfs/dbraw/zinc/96/42/37/1127964237.db2.gz WDCUIUABUFNIPQ-UHFFFAOYSA-N 1 1 272.417 3.742 20 30 CHEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245769629 1129224096 /nfs/dbraw/zinc/22/40/96/1129224096.db2.gz RNXKEZFJCGDKCJ-LSDHHAIUSA-N 1 1 274.408 3.845 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000467376199 1127966532 /nfs/dbraw/zinc/96/65/32/1127966532.db2.gz ITMBUEUGNOYHML-UHFFFAOYSA-N 1 1 299.370 3.741 20 30 CHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1csc(CC)n1 ZINC000540335211 1127975269 /nfs/dbraw/zinc/97/52/69/1127975269.db2.gz HNRVJXKZRTXCMT-LBPRGKRZSA-N 1 1 252.427 3.882 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CC1(C)C ZINC000544782158 1127983582 /nfs/dbraw/zinc/98/35/82/1127983582.db2.gz PKKJRYLRRFIASM-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CC1(C)C ZINC000544782158 1127983584 /nfs/dbraw/zinc/98/35/84/1127983584.db2.gz PKKJRYLRRFIASM-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168436036 1127989208 /nfs/dbraw/zinc/98/92/08/1127989208.db2.gz BTSWRYDUPQGCHN-GOSISDBHSA-N 1 1 286.394 3.841 20 30 CHEDMO C=CC[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000468845190 1128024231 /nfs/dbraw/zinc/02/42/31/1128024231.db2.gz FHPWUDRPIOYESL-LJQANCHMSA-N 1 1 279.383 3.981 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000469098333 1128035043 /nfs/dbraw/zinc/03/50/43/1128035043.db2.gz XAAZAOVIUCMFDV-STQMWFEESA-N 1 1 260.356 3.708 20 30 CHEDMO C=CC[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC001168438963 1128036315 /nfs/dbraw/zinc/03/63/15/1128036315.db2.gz QLEXEQHPHOFEFX-IAGOWNOFSA-N 1 1 257.377 3.557 20 30 CHEDMO N#CC[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000302543588 1128037916 /nfs/dbraw/zinc/03/79/16/1128037916.db2.gz YXUCQGGEGGAOHD-GFCCVEGCSA-N 1 1 256.340 3.580 20 30 CHEDMO N#CC[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CCCC1 ZINC000302543588 1128037918 /nfs/dbraw/zinc/03/79/18/1128037918.db2.gz YXUCQGGEGGAOHD-GFCCVEGCSA-N 1 1 256.340 3.580 20 30 CHEDMO C=CCCC[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000541773420 1128038061 /nfs/dbraw/zinc/03/80/61/1128038061.db2.gz CJWFTIZEONDUSH-SREVYHEPSA-N 1 1 251.320 3.876 20 30 CHEDMO Cc1ccc(OCC[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000469194457 1128038509 /nfs/dbraw/zinc/03/85/09/1128038509.db2.gz JPYBPAHEWMRARJ-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO Cc1ccc(OCC[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000469194457 1128038512 /nfs/dbraw/zinc/03/85/12/1128038512.db2.gz JPYBPAHEWMRARJ-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000469798531 1128054925 /nfs/dbraw/zinc/05/49/25/1128054925.db2.gz SUVPYTZLUVIXIH-UHFFFAOYSA-N 1 1 274.589 3.720 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542279163 1128060742 /nfs/dbraw/zinc/06/07/42/1128060742.db2.gz MWKSDURPLNEEDV-INIZCTEOSA-N 1 1 256.393 3.765 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542279794 1128060795 /nfs/dbraw/zinc/06/07/95/1128060795.db2.gz MPXSUBUTWSXCIL-BEFAXECRSA-N 1 1 276.383 3.946 20 30 CHEDMO CCCCCCCCCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403300832 1128062039 /nfs/dbraw/zinc/06/20/39/1128062039.db2.gz ZENGQTYTHSHESN-AWEZNQCLSA-N 1 1 276.415 3.653 20 30 CHEDMO C=CCCCN1CC[N@@H+](CCCC=C)[C@H](CCC)C1 ZINC000470217862 1128066134 /nfs/dbraw/zinc/06/61/34/1128066134.db2.gz BDYURAIXBQEIEY-QGZVFWFLSA-N 1 1 264.457 3.705 20 30 CHEDMO C=CCCCN1CC[N@@H+](CCCC=C)C[C@H]1CCC ZINC000470217862 1128066139 /nfs/dbraw/zinc/06/61/39/1128066139.db2.gz BDYURAIXBQEIEY-QGZVFWFLSA-N 1 1 264.457 3.705 20 30 CHEDMO C=CCCCN1CC[N@H+](CCCC=C)C[C@H]1CCC ZINC000470217862 1128066143 /nfs/dbraw/zinc/06/61/43/1128066143.db2.gz BDYURAIXBQEIEY-QGZVFWFLSA-N 1 1 264.457 3.705 20 30 CHEDMO C=CCC[N@H+](C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000669934877 1128069705 /nfs/dbraw/zinc/06/97/05/1128069705.db2.gz WLUCCSXOCHXCLJ-AWEZNQCLSA-N 1 1 253.773 3.535 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000470775545 1128076975 /nfs/dbraw/zinc/07/69/75/1128076975.db2.gz ZFQKSLJJVWKSQU-PBHICJAKSA-N 1 1 277.383 3.801 20 30 CHEDMO C=CCOCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000470778620 1128077020 /nfs/dbraw/zinc/07/70/20/1128077020.db2.gz GPETUHJLGTYNAU-SFHVURJKSA-N 1 1 273.420 3.849 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000470778388 1128077144 /nfs/dbraw/zinc/07/71/44/1128077144.db2.gz DNOHHOJRIGWZCS-YOEHRIQHSA-N 1 1 277.383 3.801 20 30 CHEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000470790318 1128077797 /nfs/dbraw/zinc/07/77/97/1128077797.db2.gz RMRQCUSMFYAPED-GOEBONIOSA-N 1 1 277.383 3.596 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000470727322 1128074995 /nfs/dbraw/zinc/07/49/95/1128074995.db2.gz SGBDIOOXNCDTKV-CYBMUJFWSA-N 1 1 267.800 3.926 20 30 CHEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000470790317 1128077806 /nfs/dbraw/zinc/07/78/06/1128077806.db2.gz RMRQCUSMFYAPED-GDBMZVCRSA-N 1 1 277.383 3.596 20 30 CHEDMO C=C(C)C[N@H+](CCCCCOC)Cc1ccccc1 ZINC000470908908 1128079447 /nfs/dbraw/zinc/07/94/47/1128079447.db2.gz KWUQQBWYKMQWOK-UHFFFAOYSA-N 1 1 261.409 3.881 20 30 CHEDMO CCC(C)(C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000471076347 1128086868 /nfs/dbraw/zinc/08/68/68/1128086868.db2.gz VBKBOIAQIGDZHA-UHFFFAOYSA-N 1 1 295.224 3.941 20 30 CHEDMO CCC[N@@H+](CC)Cc1cc(C#N)ccc1Br ZINC000492609702 1128105725 /nfs/dbraw/zinc/10/57/25/1128105725.db2.gz VJVBUGZIIBUZCA-UHFFFAOYSA-N 1 1 281.197 3.553 20 30 CHEDMO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)sc1Br ZINC000309857953 1128124534 /nfs/dbraw/zinc/12/45/34/1128124534.db2.gz LJHZNYAXCLHNSM-ONGXEEELSA-N 1 1 299.237 3.601 20 30 CHEDMO C=CCC[C@@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925581004 1128132871 /nfs/dbraw/zinc/13/28/71/1128132871.db2.gz UYFWTGABFWLYFI-WMLDXEAASA-N 1 1 298.434 3.965 20 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261.413 3.593 20 30 CHEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cn1 ZINC000583507695 1119369780 /nfs/dbraw/zinc/36/97/80/1119369780.db2.gz IGLJJPLJYFRKIX-UHFFFAOYSA-N 1 1 297.377 3.547 20 30 CHEDMO COc1cccc([C@H]2C[N@@H+](CCCCC#N)CC2(C)C)c1 ZINC000528626744 1119376564 /nfs/dbraw/zinc/37/65/64/1119376564.db2.gz RERHWNHSDUJOAL-QGZVFWFLSA-N 1 1 286.419 3.814 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000246054312 1119388281 /nfs/dbraw/zinc/38/82/81/1119388281.db2.gz VDBCLLLKSXQVTD-HOTGVXAUSA-N 1 1 279.811 3.804 20 30 CHEDMO C=CCC[N@H+](C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000343450428 1119423085 /nfs/dbraw/zinc/42/30/85/1119423085.db2.gz XFMGAVKTEVVPEX-UHFFFAOYSA-N 1 1 262.378 3.719 20 30 CHEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000343450229 1119423504 /nfs/dbraw/zinc/42/35/04/1119423504.db2.gz WSJPVXDPKHMDAU-UHFFFAOYSA-N 1 1 275.783 3.738 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000343531923 1119444349 /nfs/dbraw/zinc/44/43/49/1119444349.db2.gz 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C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000657908926 1119627095 /nfs/dbraw/zinc/62/70/95/1119627095.db2.gz NBHWTYUOCDWFIT-WBVHZDCISA-N 1 1 278.484 3.974 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177267572 1119631281 /nfs/dbraw/zinc/63/12/81/1119631281.db2.gz XXAAIDHNHSBQOD-GFCCVEGCSA-N 1 1 281.321 3.787 20 30 CHEDMO CC(C)(C)c1cc[nH+]c(NCCc2ccc(C#N)cc2)c1 ZINC001167679001 1119657468 /nfs/dbraw/zinc/65/74/68/1119657468.db2.gz DTEUDWRCSIBHOC-UHFFFAOYSA-N 1 1 279.387 3.905 20 30 CHEDMO C=CCCC1(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000658096349 1119681562 /nfs/dbraw/zinc/68/15/62/1119681562.db2.gz DWBNIDGILRRQTE-JKSUJKDBSA-N 1 1 264.457 3.585 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000054993492 1119695784 /nfs/dbraw/zinc/69/57/84/1119695784.db2.gz WQTAAMROXCGFAW-SFHVURJKSA-N 1 1 262.356 3.895 20 30 CHEDMO CSc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162153 1119738701 /nfs/dbraw/zinc/73/87/01/1119738701.db2.gz FRSPNITYBQRQPI-OAHLLOKOSA-N 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Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cs1 ZINC000189813131 1120078250 /nfs/dbraw/zinc/07/82/50/1120078250.db2.gz LGCWAGFKRYLVBZ-QGZVFWFLSA-N 1 1 297.427 3.969 20 30 CHEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)cs1 ZINC000189813131 1120078253 /nfs/dbraw/zinc/07/82/53/1120078253.db2.gz LGCWAGFKRYLVBZ-QGZVFWFLSA-N 1 1 297.427 3.969 20 30 CHEDMO C=CC[N@H+](Cc1scnc1C)Cc1ccc(OC)cc1 ZINC000092217555 1120096355 /nfs/dbraw/zinc/09/63/55/1120096355.db2.gz BLSCSFKBHABAHH-UHFFFAOYSA-N 1 1 288.416 3.648 20 30 CHEDMO C=CC[N@@H+](Cc1scnc1C)Cc1ccc(OC)cc1 ZINC000092217555 1120096360 /nfs/dbraw/zinc/09/63/60/1120096360.db2.gz BLSCSFKBHABAHH-UHFFFAOYSA-N 1 1 288.416 3.648 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001116438390 1120119024 /nfs/dbraw/zinc/11/90/24/1120119024.db2.gz DIUHOFWHJQJYJE-UHFFFAOYSA-N 1 1 285.435 3.658 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001116438390 1120119027 /nfs/dbraw/zinc/11/90/27/1120119027.db2.gz DIUHOFWHJQJYJE-UHFFFAOYSA-N 1 1 285.435 3.658 20 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MIUUDAMHYSYYKC-GFCCVEGCSA-N 1 1 285.778 3.766 20 30 CHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000480862143 1120231827 /nfs/dbraw/zinc/23/18/27/1120231827.db2.gz BWZDBKYHXWMSEF-ABAIWWIYSA-N 1 1 262.784 3.975 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(CC)s1)Cc1ccccc1 ZINC000092261391 1120233745 /nfs/dbraw/zinc/23/37/45/1120233745.db2.gz CPUWBCQIDJLKFV-UHFFFAOYSA-N 1 1 272.417 3.894 20 30 CHEDMO C=CC[N@H+](Cc1cnc(CC)s1)Cc1ccccc1 ZINC000092261391 1120233748 /nfs/dbraw/zinc/23/37/48/1120233748.db2.gz CPUWBCQIDJLKFV-UHFFFAOYSA-N 1 1 272.417 3.894 20 30 CHEDMO Cc1nc(CO[NH+]=C(N)C2CCCCCC2)sc1C ZINC000179003488 1120240381 /nfs/dbraw/zinc/24/03/81/1120240381.db2.gz YBCQGUKJGPXBIG-UHFFFAOYSA-N 1 1 281.425 3.519 20 30 CHEDMO CCC[N@@H+](CCCSC)Cc1ccc(C#N)cc1 ZINC000075626813 1120263642 /nfs/dbraw/zinc/26/36/42/1120263642.db2.gz AEPCOSVDFSVBLY-UHFFFAOYSA-N 1 1 262.422 3.523 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1ccc(F)cc1Cl ZINC000107063768 1120283496 /nfs/dbraw/zinc/28/34/96/1120283496.db2.gz 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Cc1cccc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC000543254163 1120476394 /nfs/dbraw/zinc/47/63/94/1120476394.db2.gz UCZHOBQEXLLROD-QGZVFWFLSA-N 1 1 294.373 3.995 20 30 CHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499701467 1120477160 /nfs/dbraw/zinc/47/71/60/1120477160.db2.gz BMRGNJXHRBKRAY-SJORKVTESA-N 1 1 292.467 3.988 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000530902161 1120483526 /nfs/dbraw/zinc/48/35/26/1120483526.db2.gz KULAQSNLOPUQSU-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000530902161 1120483528 /nfs/dbraw/zinc/48/35/28/1120483528.db2.gz KULAQSNLOPUQSU-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000117872364 1120518149 /nfs/dbraw/zinc/51/81/49/1120518149.db2.gz BCRWKPDPUWMQOI-UHFFFAOYSA-N 1 1 298.430 3.509 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@H]21 ZINC000378846672 1120530370 /nfs/dbraw/zinc/53/03/70/1120530370.db2.gz 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LORUMNNCBNCTDO-LBPRGKRZSA-N 1 1 295.224 3.739 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434621538 1122382635 /nfs/dbraw/zinc/38/26/35/1122382635.db2.gz UKMZQMSPGIUCFS-IRXDYDNUSA-N 1 1 279.399 3.782 20 30 CHEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001258232524 1129053289 /nfs/dbraw/zinc/05/32/89/1129053289.db2.gz UGPBTTOEJRHYNI-WBVHZDCISA-N 1 1 282.472 3.726 20 30 CHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)C1(CC)CC ZINC000434976530 1122425435 /nfs/dbraw/zinc/42/54/35/1122425435.db2.gz CLRXVWYHGNCSHJ-LSDHHAIUSA-N 1 1 298.496 3.549 20 30 CHEDMO CCOc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425364081 1122462775 /nfs/dbraw/zinc/46/27/75/1122462775.db2.gz DWAUSHUORGUKTO-CQSZACIVSA-N 1 1 295.386 3.545 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000775182500 1122468791 /nfs/dbraw/zinc/46/87/91/1122468791.db2.gz ARSYNMBFPNTWIN-JTQLQIEISA-N 1 1 296.197 3.723 20 30 CHEDMO C=C1CC(C)(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000632849169 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CC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001190476341 1122538570 /nfs/dbraw/zinc/53/85/70/1122538570.db2.gz RFFAZQSLMXQZOR-ZOCIIQOWSA-N 1 1 298.430 3.899 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1cccc(Cl)n1)c1ccccc1 ZINC000775400945 1122545719 /nfs/dbraw/zinc/54/57/19/1122545719.db2.gz UPMOAXQXGZHBLF-HNNXBMFYSA-N 1 1 270.763 3.589 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001138682886 1129062828 /nfs/dbraw/zinc/06/28/28/1129062828.db2.gz FBBVTZYUWMPDHY-OAHLLOKOSA-N 1 1 280.346 3.838 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001138682886 1129062832 /nfs/dbraw/zinc/06/28/32/1129062832.db2.gz FBBVTZYUWMPDHY-OAHLLOKOSA-N 1 1 280.346 3.838 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(C)nn(-c2ccccc2)c1C ZINC000505863675 1122571471 /nfs/dbraw/zinc/57/14/71/1122571471.db2.gz FRQCQXCQKBWBMU-UHFFFAOYSA-N 1 1 283.419 3.887 20 30 CHEDMO C#CC[NH+](CC#C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001191157188 1122578132 /nfs/dbraw/zinc/57/81/32/1122578132.db2.gz TWCLRVUVJIDHDH-LLVKDONJSA-N 1 1 266.171 3.623 20 30 CHEDMO CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC001191157264 1122578138 /nfs/dbraw/zinc/57/81/38/1122578138.db2.gz VGGUEGWEHSUFJX-BZSNNMDCSA-N 1 1 298.430 3.573 20 30 CHEDMO CC1(C)CO[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC001191157264 1122578139 /nfs/dbraw/zinc/57/81/39/1122578139.db2.gz VGGUEGWEHSUFJX-BZSNNMDCSA-N 1 1 298.430 3.573 20 30 CHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC001191134147 1122579717 /nfs/dbraw/zinc/57/97/17/1122579717.db2.gz WIUPQOFIFDWRTC-UHFFFAOYSA-N 1 1 288.435 3.920 20 30 CHEDMO C#CC[N@@H+](CC#CC)Cc1cccc(SC(F)(F)F)c1 ZINC001191244436 1122587877 /nfs/dbraw/zinc/58/78/77/1122587877.db2.gz JKXNTETXSOLBPX-UHFFFAOYSA-N 1 1 297.345 3.757 20 30 CHEDMO C#CC[N@H+](CC#CC)Cc1cccc(SC(F)(F)F)c1 ZINC001191244436 1122587883 /nfs/dbraw/zinc/58/78/83/1122587883.db2.gz JKXNTETXSOLBPX-UHFFFAOYSA-N 1 1 297.345 3.757 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000505899430 1122593603 /nfs/dbraw/zinc/59/36/03/1122593603.db2.gz WORPSCAJEIBRBE-AWEZNQCLSA-N 1 1 275.392 3.634 20 30 CHEDMO C#CCCCCCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC001191552832 1122605981 /nfs/dbraw/zinc/60/59/81/1122605981.db2.gz XGLKWOQZXFXCDY-UHFFFAOYSA-N 1 1 277.452 3.995 20 30 CHEDMO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000437091383 1122611318 /nfs/dbraw/zinc/61/13/18/1122611318.db2.gz CRBZKVWGMJCPJV-VXGBXAGGSA-N 1 1 299.349 3.513 20 30 CHEDMO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC(C)C ZINC000437159305 1122617943 /nfs/dbraw/zinc/61/79/43/1122617943.db2.gz FASRFLSFZYAPHV-UHFFFAOYSA-N 1 1 282.334 3.638 20 30 CHEDMO C=CCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192253688 1122634622 /nfs/dbraw/zinc/63/46/22/1122634622.db2.gz XJVKKFDYHYUCGC-IRXDYDNUSA-N 1 1 272.436 3.547 20 30 CHEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001192944334 1122662976 /nfs/dbraw/zinc/66/29/76/1122662976.db2.gz NWCCWOSDLYBSSR-JKSUJKDBSA-N 1 1 297.487 3.519 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccc(OC)cc2s1)C(C)C 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C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439328665 1122772644 /nfs/dbraw/zinc/77/26/44/1122772644.db2.gz MNBGOHALFXGSCU-NJAFHUGGSA-N 1 1 273.420 3.582 20 30 CHEDMO C#CCCCCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC001194401744 1122772649 /nfs/dbraw/zinc/77/26/49/1122772649.db2.gz UYSWOCQDIQDKMU-GOSISDBHSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC001194401744 1122772654 /nfs/dbraw/zinc/77/26/54/1122772654.db2.gz UYSWOCQDIQDKMU-GOSISDBHSA-N 1 1 289.394 3.783 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(OC)c2ccccc12 ZINC000467383939 1122773476 /nfs/dbraw/zinc/77/34/76/1122773476.db2.gz HEVHZDZSMADRGN-UHFFFAOYSA-N 1 1 255.361 3.856 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000775605170 1122783940 /nfs/dbraw/zinc/78/39/40/1122783940.db2.gz XVEGQFFOHOROFQ-UHFFFAOYSA-N 1 1 298.434 3.505 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000775605170 1122783941 /nfs/dbraw/zinc/78/39/41/1122783941.db2.gz XVEGQFFOHOROFQ-UHFFFAOYSA-N 1 1 298.434 3.505 20 30 CHEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000426426341 1122791257 /nfs/dbraw/zinc/79/12/57/1122791257.db2.gz HDFWMAQJDLWRLZ-STQMWFEESA-N 1 1 281.321 3.787 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000426426339 1122791512 /nfs/dbraw/zinc/79/15/12/1122791512.db2.gz HDFWMAQJDLWRLZ-OLZOCXBDSA-N 1 1 281.321 3.787 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000426457660 1122797117 /nfs/dbraw/zinc/79/71/17/1122797117.db2.gz YRDSCLKXDWBXSA-OCCSQVGLSA-N 1 1 292.329 3.534 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001194763827 1122802661 /nfs/dbraw/zinc/80/26/61/1122802661.db2.gz HYCAGLSWDYADLP-MRXNPFEDSA-N 1 1 255.446 3.687 20 30 CHEDMO CC(C)[N@@H+](Cc1cc(C#N)ccn1)[C@@H](C)c1ccccc1 ZINC001194816915 1122808524 /nfs/dbraw/zinc/80/85/24/1122808524.db2.gz MPNDWLIDTLZFEY-HNNXBMFYSA-N 1 1 279.387 3.925 20 30 CHEDMO CCCCCCCCCOC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001194919374 1122821899 /nfs/dbraw/zinc/82/18/99/1122821899.db2.gz BGNGBRWBJQXRCR-INIZCTEOSA-N 1 1 298.471 3.805 20 30 CHEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001194922899 1122823024 /nfs/dbraw/zinc/82/30/24/1122823024.db2.gz CVYVQNRPNLZOFU-CVEARBPZSA-N 1 1 298.471 3.803 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1OC ZINC000426570139 1122824463 /nfs/dbraw/zinc/82/44/63/1122824463.db2.gz IMHIWFKQIKGBAJ-YHWKNFMLSA-N 1 1 257.377 3.749 20 30 CHEDMO CCc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000426625411 1122836071 /nfs/dbraw/zinc/83/60/71/1122836071.db2.gz ZVLNVPIQNBMAQV-GFCCVEGCSA-N 1 1 285.416 3.770 20 30 CHEDMO CCc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000426625411 1122836075 /nfs/dbraw/zinc/83/60/75/1122836075.db2.gz ZVLNVPIQNBMAQV-GFCCVEGCSA-N 1 1 285.416 3.770 20 30 CHEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000775641983 1122849881 /nfs/dbraw/zinc/84/98/81/1122849881.db2.gz SNZJMNPYIDHQPB-HUUCEWRRSA-N 1 1 296.455 3.578 20 30 CHEDMO N#Cc1cc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cs1 ZINC000894456941 1122855747 /nfs/dbraw/zinc/85/57/47/1122855747.db2.gz WAYKNCDNKQLKRR-UHFFFAOYSA-N 1 1 298.411 3.738 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC001195307188 1122862395 /nfs/dbraw/zinc/86/23/95/1122862395.db2.gz OZNZISRVUXJZGH-GOSISDBHSA-N 1 1 268.404 3.613 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001195368242 1122865180 /nfs/dbraw/zinc/86/51/80/1122865180.db2.gz QQKPQIWBECUDSM-HNNXBMFYSA-N 1 1 292.357 3.742 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC001195462535 1122869500 /nfs/dbraw/zinc/86/95/00/1122869500.db2.gz BKBMLCQSNFBLRO-INIZCTEOSA-N 1 1 273.445 3.655 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](CCCc2ccc(C)cc2)C1 ZINC001195463935 1122869618 /nfs/dbraw/zinc/86/96/18/1122869618.db2.gz PPSUGEHNKRMHMS-GOSISDBHSA-N 1 1 255.405 3.663 20 30 CHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894707301 1122897114 /nfs/dbraw/zinc/89/71/14/1122897114.db2.gz IYJVUJXOQZPKQT-ONGXEEELSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894707301 1122897117 /nfs/dbraw/zinc/89/71/17/1122897117.db2.gz IYJVUJXOQZPKQT-ONGXEEELSA-N 1 1 288.338 3.783 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440479626 1122907836 /nfs/dbraw/zinc/90/78/36/1122907836.db2.gz RRGFLZFTPBLXCQ-CQSZACIVSA-N 1 1 261.413 3.777 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC001197324088 1122954235 /nfs/dbraw/zinc/95/42/35/1122954235.db2.gz ACNVXOMMMDEOIL-GFCCVEGCSA-N 1 1 267.335 3.610 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001196583400 1122926993 /nfs/dbraw/zinc/92/69/93/1122926993.db2.gz OCDHSZDXPPDRNG-CQSZACIVSA-N 1 1 296.336 3.949 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC001196674512 1122929891 /nfs/dbraw/zinc/92/98/91/1122929891.db2.gz HJALVZGOGFGESK-WMZOPIPTSA-N 1 1 268.404 3.940 20 30 CHEDMO C#CCCCCCCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC001196728311 1122931164 /nfs/dbraw/zinc/93/11/64/1122931164.db2.gz WDJXJKVHTONNJK-UHFFFAOYSA-N 1 1 290.495 3.911 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC000507205927 1122936694 /nfs/dbraw/zinc/93/66/94/1122936694.db2.gz AFMCGMDCJPSQPY-UHFFFAOYSA-N 1 1 276.383 3.679 20 30 CHEDMO CN(Cc1cccc(C#N)c1)Cc1cccc([O-])c1Cl ZINC000507189663 1122937619 /nfs/dbraw/zinc/93/76/19/1122937619.db2.gz WEGZDYFBKROMPQ-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001197203123 1122948812 /nfs/dbraw/zinc/94/88/12/1122948812.db2.gz RNTLNFCSEDUTED-ZDUSSCGKSA-N 1 1 272.230 3.797 20 30 CHEDMO C=C(C)CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001197498463 1122958695 /nfs/dbraw/zinc/95/86/95/1122958695.db2.gz ZTZFEWMBLNZGLX-ZDUSSCGKSA-N 1 1 275.392 3.589 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC001197582436 1122961876 /nfs/dbraw/zinc/96/18/76/1122961876.db2.gz RPDNYGQOAMBTEA-WBVHZDCISA-N 1 1 281.440 3.765 20 30 CHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000120871407 1122975430 /nfs/dbraw/zinc/97/54/30/1122975430.db2.gz MBVMGVNSXBZIEF-SFHVURJKSA-N 1 1 296.370 3.887 20 30 CHEDMO C[N@@H+](CCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000507613907 1122977138 /nfs/dbraw/zinc/97/71/38/1122977138.db2.gz FKXLNZALBGNPGL-UHFFFAOYSA-N 1 1 256.393 3.960 20 30 CHEDMO C=CCCCC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001197979039 1122978854 /nfs/dbraw/zinc/97/88/54/1122978854.db2.gz OYIAUNJUFRHLHI-UHFFFAOYSA-N 1 1 298.471 3.920 20 30 CHEDMO N#Cc1csc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000507713766 1122990250 /nfs/dbraw/zinc/99/02/50/1122990250.db2.gz LSBLKSAUDRNYGS-AWEZNQCLSA-N 1 1 298.411 3.521 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1sc(C)nc1C ZINC001198407624 1122990698 /nfs/dbraw/zinc/99/06/98/1122990698.db2.gz XBRTYRBIPZBBPQ-CYBMUJFWSA-N 1 1 250.411 3.691 20 30 CHEDMO CCn1cc(C[N@H+](C)CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000894857348 1122991130 /nfs/dbraw/zinc/99/11/30/1122991130.db2.gz FPCUWCGDJUHDCB-UHFFFAOYSA-N 1 1 296.418 3.552 20 30 CHEDMO CCn1cc(C[N@@H+](C)CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000894857348 1122991131 /nfs/dbraw/zinc/99/11/31/1122991131.db2.gz FPCUWCGDJUHDCB-UHFFFAOYSA-N 1 1 296.418 3.552 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC001198492141 1122994353 /nfs/dbraw/zinc/99/43/53/1122994353.db2.gz YMFZHJCKYGOSAY-OLZOCXBDSA-N 1 1 292.810 3.626 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC001198492141 1122994356 /nfs/dbraw/zinc/99/43/56/1122994356.db2.gz YMFZHJCKYGOSAY-OLZOCXBDSA-N 1 1 292.810 3.626 20 30 CHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001198604268 1123000835 /nfs/dbraw/zinc/00/08/35/1123000835.db2.gz JTJUOYKYUOMHOJ-MRXNPFEDSA-N 1 1 259.393 3.755 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000472582160 1123006698 /nfs/dbraw/zinc/00/66/98/1123006698.db2.gz PPLLBRVUFHQDBR-ZQIUZPCESA-N 1 1 277.383 3.536 20 30 CHEDMO C=CC[C@@H]1CC[C@H]([NH2+]CCCN(C)Cc2ccccc2)C1 ZINC001199037645 1123018256 /nfs/dbraw/zinc/01/82/56/1123018256.db2.gz BOMZCCXHOOSWKF-MJGOQNOKSA-N 1 1 286.463 3.843 20 30 CHEDMO Cc1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2ccccc2)cc1 ZINC000775978025 1123031472 /nfs/dbraw/zinc/03/14/72/1123031472.db2.gz QLMVSGQPFMWSSW-SFHVURJKSA-N 1 1 276.383 3.978 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](O)CC)C(C)(C)C)cc1 ZINC000440792799 1123041815 /nfs/dbraw/zinc/04/18/15/1123041815.db2.gz AWNXRTGFNLWRRV-INIZCTEOSA-N 1 1 291.435 3.623 20 30 CHEDMO C=CC[N@H+](C[C@H](O)c1ccccc1)C1CCCCC1 ZINC001251993796 1123051128 /nfs/dbraw/zinc/05/11/28/1123051128.db2.gz SKITZZJUVRDQIS-KRWDZBQOSA-N 1 1 259.393 3.541 20 30 CHEDMO C=CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000441271875 1123074788 /nfs/dbraw/zinc/07/47/88/1123074788.db2.gz ZHMJURIHMLHMJW-UHFFFAOYSA-N 1 1 293.410 3.852 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc(Oc3ccccn3)c2)CCC1 ZINC000894966247 1123093950 /nfs/dbraw/zinc/09/39/50/1123093950.db2.gz LSLYZUUMIOUNHO-UHFFFAOYSA-N 1 1 293.370 3.657 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000895019103 1123102397 /nfs/dbraw/zinc/10/23/97/1123102397.db2.gz ZCDKISHVCWZFGE-CQSZACIVSA-N 1 1 294.402 3.673 20 30 CHEDMO C=CC[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000058572170 1123108523 /nfs/dbraw/zinc/10/85/23/1123108523.db2.gz QXLJCMSQMNLGEX-AWEZNQCLSA-N 1 1 299.414 3.832 20 30 CHEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cscn2)c2ccccn21 ZINC000776192794 1123114778 /nfs/dbraw/zinc/11/47/78/1123114778.db2.gz SYQSBLDNZIYTSY-SREVYHEPSA-N 1 1 297.383 3.810 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(Br)c1 ZINC000155230504 1129099945 /nfs/dbraw/zinc/09/99/45/1129099945.db2.gz KKRUMCRHHFMAEC-RYUDHWBXSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(Br)c1 ZINC000155230504 1129099948 /nfs/dbraw/zinc/09/99/48/1129099948.db2.gz KKRUMCRHHFMAEC-RYUDHWBXSA-N 1 1 295.224 3.992 20 30 CHEDMO Cc1coc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000895055014 1123127265 /nfs/dbraw/zinc/12/72/65/1123127265.db2.gz FZBAUYFDRLDHGP-CYBMUJFWSA-N 1 1 254.333 3.653 20 30 CHEDMO C=C(C)C[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000441449208 1123128627 /nfs/dbraw/zinc/12/86/27/1123128627.db2.gz OSNISKTUKHCBLW-GPANFISMSA-N 1 1 251.414 3.622 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001201631565 1123129913 /nfs/dbraw/zinc/12/99/13/1123129913.db2.gz VQXABETZEQMZHU-KRWDZBQOSA-N 1 1 282.472 3.728 20 30 CHEDMO N#CCCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045915439 1123134719 /nfs/dbraw/zinc/13/47/19/1123134719.db2.gz TYEHUVJLYLCLTD-UHFFFAOYSA-N 1 1 282.309 3.974 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)cc1C#N ZINC000441464290 1123136209 /nfs/dbraw/zinc/13/62/09/1123136209.db2.gz AJNJTLAMNPDRFR-IGCXYCKISA-N 1 1 272.367 3.850 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001201762388 1123148214 /nfs/dbraw/zinc/14/82/14/1123148214.db2.gz IQSPGERNHSYMKV-DLBZAZTESA-N 1 1 283.456 3.617 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001201804416 1123150368 /nfs/dbraw/zinc/15/03/68/1123150368.db2.gz JLMLZJMEELPFEK-ZDUSSCGKSA-N 1 1 281.362 3.594 20 30 CHEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCC2(C1)OCCO2 ZINC001201852973 1123151877 /nfs/dbraw/zinc/15/18/77/1123151877.db2.gz VLXPNQAVFDYRIW-INIZCTEOSA-N 1 1 283.456 3.964 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001201852518 1123152034 /nfs/dbraw/zinc/15/20/34/1123152034.db2.gz BJFWIVMEMWJDQI-OAHLLOKOSA-N 1 1 279.428 3.918 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001201853037 1123152584 /nfs/dbraw/zinc/15/25/84/1123152584.db2.gz YTRKJVHDCVNENW-OKZBNKHCSA-N 1 1 297.483 3.599 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001201839514 1123154306 /nfs/dbraw/zinc/15/43/06/1123154306.db2.gz GENFOBRWLSCPII-OAHLLOKOSA-N 1 1 269.429 3.574 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001201839777 1123154742 /nfs/dbraw/zinc/15/47/42/1123154742.db2.gz JBSGPZQDJNPFIL-INIZCTEOSA-N 1 1 291.439 3.599 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001201839850 1123155080 /nfs/dbraw/zinc/15/50/80/1123155080.db2.gz LEPVHCMBAUYZGF-HUUCEWRRSA-N 1 1 251.414 3.648 20 30 CHEDMO CCCCCCCC[N@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001201839657 1123155289 /nfs/dbraw/zinc/15/52/89/1123155289.db2.gz GTQLHIAPBNAXDM-INIZCTEOSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCCCN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001201839657 1123155290 /nfs/dbraw/zinc/15/52/90/1123155290.db2.gz GTQLHIAPBNAXDM-INIZCTEOSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCCCN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001201839657 1123155292 /nfs/dbraw/zinc/15/52/92/1123155292.db2.gz GTQLHIAPBNAXDM-INIZCTEOSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCc2cnn(C)c2C1 ZINC001201875149 1123156784 /nfs/dbraw/zinc/15/67/84/1123156784.db2.gz REUACBKUHJJKPH-UHFFFAOYSA-N 1 1 277.456 3.919 20 30 CHEDMO C=C(CC)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000520590114 1123181350 /nfs/dbraw/zinc/18/13/50/1123181350.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO C=C(CC)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000520590114 1123181351 /nfs/dbraw/zinc/18/13/51/1123181351.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO C=C(CC)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000520590114 1123181354 /nfs/dbraw/zinc/18/13/54/1123181354.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO C=C(CC)C[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000520590114 1123181357 /nfs/dbraw/zinc/18/13/57/1123181357.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO C=C(CC)C[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000520590114 1123181360 /nfs/dbraw/zinc/18/13/60/1123181360.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO C=C(C)C[N@@H+](CC)CCOc1ccc(Cl)cc1 ZINC000061758698 1123185208 /nfs/dbraw/zinc/18/52/08/1123185208.db2.gz HMKKQBOYGDMMPP-UHFFFAOYSA-N 1 1 253.773 3.617 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507792023 1123198681 /nfs/dbraw/zinc/19/86/81/1123198681.db2.gz GCGBMQFTYBPHTN-MOPGFXCFSA-N 1 1 287.447 3.922 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC001252130660 1123226870 /nfs/dbraw/zinc/22/68/70/1123226870.db2.gz VVQSFENZRRDDQO-SJORKVTESA-N 1 1 280.456 3.724 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2OCC(F)F)CCCC1 ZINC000895133549 1123247806 /nfs/dbraw/zinc/24/78/06/1123247806.db2.gz LQIZECMSNOMMHM-UHFFFAOYSA-N 1 1 294.345 3.504 20 30 CHEDMO C=C(Cl)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458472 1123253237 /nfs/dbraw/zinc/25/32/37/1123253237.db2.gz FAYKCUKCTKWIRT-UHFFFAOYSA-N 1 1 268.744 3.558 20 30 CHEDMO C=C(Cl)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458472 1123253241 /nfs/dbraw/zinc/25/32/41/1123253241.db2.gz FAYKCUKCTKWIRT-UHFFFAOYSA-N 1 1 268.744 3.558 20 30 CHEDMO C=CCCSCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850354329 1123255480 /nfs/dbraw/zinc/25/54/80/1123255480.db2.gz DQNJCKQSRNPMEC-UHFFFAOYSA-N 1 1 289.803 3.584 20 30 CHEDMO C=CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850501364 1123275483 /nfs/dbraw/zinc/27/54/83/1123275483.db2.gz AXMDGNBGPZFOHP-QMMMGPOBSA-N 1 1 260.164 3.926 20 30 CHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC000544187260 1123276137 /nfs/dbraw/zinc/27/61/37/1123276137.db2.gz NGKOVYYJCMYOPM-KRWDZBQOSA-N 1 1 294.373 3.995 20 30 CHEDMO CC(=NOC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779789233 1129110570 /nfs/dbraw/zinc/11/05/70/1129110570.db2.gz ZXRVBDWJZIQOMY-QGZVFWFLSA-N 1 1 286.419 3.844 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Cl)nc1 ZINC000850551735 1123290049 /nfs/dbraw/zinc/29/00/49/1123290049.db2.gz VEBRMFZXQAUAER-GFCCVEGCSA-N 1 1 277.799 3.860 20 30 CHEDMO CO[C@@H](C)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000487413128 1123294814 /nfs/dbraw/zinc/29/48/14/1123294814.db2.gz KNENFWOWRVFCAU-HNNXBMFYSA-N 1 1 288.435 3.733 20 30 CHEDMO C=CC[N@H+](Cc1cncc(C)c1)CC1CCCCC1 ZINC000442677864 1123332406 /nfs/dbraw/zinc/33/24/06/1123332406.db2.gz INCOIBRHDLIRSL-UHFFFAOYSA-N 1 1 258.409 3.958 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000442904591 1123349281 /nfs/dbraw/zinc/34/92/81/1123349281.db2.gz REOGWGUDDZTMDT-HUUCEWRRSA-N 1 1 254.377 3.907 20 30 CHEDMO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2C)ccc1C#N ZINC000443067752 1123354110 /nfs/dbraw/zinc/35/41/10/1123354110.db2.gz UUAVBJZLGLNLNC-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000193843925 1129116155 /nfs/dbraw/zinc/11/61/55/1129116155.db2.gz JHIJTQJYZHFXFA-CQSZACIVSA-N 1 1 287.325 3.637 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)n1 ZINC000851738415 1123376782 /nfs/dbraw/zinc/37/67/82/1123376782.db2.gz GFRMJRLIRLDMKR-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000852101726 1123396673 /nfs/dbraw/zinc/39/66/73/1123396673.db2.gz HQBXITJSCAWEPK-QGZVFWFLSA-N 1 1 268.360 3.542 20 30 CHEDMO CC1=CCC[C@@H](C)[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000443417317 1123396743 /nfs/dbraw/zinc/39/67/43/1123396743.db2.gz WLXBXZZUNYBCKA-WBVHZDCISA-N 1 1 272.392 3.988 20 30 CHEDMO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000443417317 1123396746 /nfs/dbraw/zinc/39/67/46/1123396746.db2.gz WLXBXZZUNYBCKA-WBVHZDCISA-N 1 1 272.392 3.988 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852319017 1123402247 /nfs/dbraw/zinc/40/22/47/1123402247.db2.gz FHFKHLISNCDGPN-MLGOLLRUSA-N 1 1 274.795 3.953 20 30 CHEDMO CCCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329152 1123403174 /nfs/dbraw/zinc/40/31/74/1123403174.db2.gz UXMYXAWQDILTKR-KRWDZBQOSA-N 1 1 271.408 3.519 20 30 CHEDMO CCCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329152 1123403176 /nfs/dbraw/zinc/40/31/76/1123403176.db2.gz UXMYXAWQDILTKR-KRWDZBQOSA-N 1 1 271.408 3.519 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC2CCCCC2)C1 ZINC000852331872 1123403591 /nfs/dbraw/zinc/40/35/91/1123403591.db2.gz MPPJSRXDHORSJB-LJQANCHMSA-N 1 1 297.446 3.909 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC2CCCCC2)C1 ZINC000852331872 1123403593 /nfs/dbraw/zinc/40/35/93/1123403593.db2.gz MPPJSRXDHORSJB-LJQANCHMSA-N 1 1 297.446 3.909 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852412008 1123404286 /nfs/dbraw/zinc/40/42/86/1123404286.db2.gz YERJGQAEIHLVFK-CQSZACIVSA-N 1 1 257.377 3.505 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000852410674 1123404803 /nfs/dbraw/zinc/40/48/03/1123404803.db2.gz PFKROOHGYGIJNN-SNVBAGLBSA-N 1 1 256.802 3.585 20 30 CHEDMO CC[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019252 1123410179 /nfs/dbraw/zinc/41/01/79/1123410179.db2.gz IAQQOAYVIZXCSV-NBMJBFSESA-N 1 1 299.462 3.710 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2cccc(F)c2)o1 ZINC000852685856 1123411645 /nfs/dbraw/zinc/41/16/45/1123411645.db2.gz LIHJMZXONQYCQM-GASCZTMLSA-N 1 1 299.349 3.559 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852685721 1123411670 /nfs/dbraw/zinc/41/16/70/1123411670.db2.gz JFBCDFGJVBOLFC-BETUJISGSA-N 1 1 292.766 3.931 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cc(C)cc(C)c1 ZINC000852685759 1123412164 /nfs/dbraw/zinc/41/21/64/1123412164.db2.gz JXZWCXTUKWNDCK-FGTMMUONSA-N 1 1 271.404 3.520 20 30 CHEDMO CC[C@@H](c1ccccc1)[N@@H+](CCO[C@H](C)C#N)C(C)C ZINC000852690591 1123412781 /nfs/dbraw/zinc/41/27/81/1123412781.db2.gz KJTLNNXQQPIOIE-WBVHZDCISA-N 1 1 274.408 3.777 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CCO[C@@H](C)C#N)C(C)C ZINC000852690588 1123412885 /nfs/dbraw/zinc/41/28/85/1123412885.db2.gz KJTLNNXQQPIOIE-DOTOQJQBSA-N 1 1 274.408 3.777 20 30 CHEDMO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168020109 1123413633 /nfs/dbraw/zinc/41/36/33/1123413633.db2.gz KMFGYOQOKDGJCY-IZZQQSIFSA-N 1 1 286.463 3.984 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000853525068 1123443115 /nfs/dbraw/zinc/44/31/15/1123443115.db2.gz RTOYPKBFVYJCLX-AWEZNQCLSA-N 1 1 297.427 3.954 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(C(C)C)n(C)c1=S ZINC000853598193 1123444014 /nfs/dbraw/zinc/44/40/14/1123444014.db2.gz NWAOIIPZIGQPIZ-OKILXGFUSA-N 1 1 291.464 3.820 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000853596571 1123444208 /nfs/dbraw/zinc/44/42/08/1123444208.db2.gz JDVCEWPLRQCROW-MRXNPFEDSA-N 1 1 283.400 3.564 20 30 CHEDMO CC[C@H](CC#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024297 1123460003 /nfs/dbraw/zinc/46/00/03/1123460003.db2.gz DSMFTACDWMLWKT-UKBAYJJMSA-N 1 1 299.462 3.710 20 30 CHEDMO C(=NNc1cc[nH+]cc1)c1cc(-c2ccccc2)cs1 ZINC000779808369 1129123397 /nfs/dbraw/zinc/12/33/97/1129123397.db2.gz JSRFGXFBKRLVIV-UHFFFAOYSA-N 1 1 279.368 3.678 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000428291192 1123486144 /nfs/dbraw/zinc/48/61/44/1123486144.db2.gz PVXXDXXFJHXFER-INIZCTEOSA-N 1 1 286.375 4.000 20 30 CHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000895545086 1123489852 /nfs/dbraw/zinc/48/98/52/1123489852.db2.gz AXSHIPLQMSHYEN-MRXNPFEDSA-N 1 1 290.382 3.551 20 30 CHEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000398974126 1123504116 /nfs/dbraw/zinc/50/41/16/1123504116.db2.gz BWYITMNXKLGFEX-KFWWJZLASA-N 1 1 256.393 3.619 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000053137763 1123526407 /nfs/dbraw/zinc/52/64/07/1123526407.db2.gz XGJBMYYLJCIDNN-UHFFFAOYSA-N 1 1 297.345 3.837 20 30 CHEDMO C#CCCCC[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168035330 1123533387 /nfs/dbraw/zinc/53/33/87/1123533387.db2.gz SFRHDJDMXMTQQW-ROUUACIJSA-N 1 1 298.474 3.821 20 30 CHEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000895937598 1123533411 /nfs/dbraw/zinc/53/34/11/1123533411.db2.gz UPIQTELQIUGGAO-GFCCVEGCSA-N 1 1 289.423 3.607 20 30 CHEDMO COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c2ccccc12 ZINC000896505081 1123590899 /nfs/dbraw/zinc/59/08/99/1123590899.db2.gz LHADYQNZACIXFA-CQSZACIVSA-N 1 1 280.371 3.584 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c2ccccc12 ZINC000896505081 1123590903 /nfs/dbraw/zinc/59/09/03/1123590903.db2.gz LHADYQNZACIXFA-CQSZACIVSA-N 1 1 280.371 3.584 20 30 CHEDMO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896502317 1123591064 /nfs/dbraw/zinc/59/10/64/1123591064.db2.gz WVCDDHMPINLZNZ-OAHLLOKOSA-N 1 1 297.427 3.854 20 30 CHEDMO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896502317 1123591067 /nfs/dbraw/zinc/59/10/67/1123591067.db2.gz WVCDDHMPINLZNZ-OAHLLOKOSA-N 1 1 297.427 3.854 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(Cl)ccc1OC ZINC000247915026 1123637788 /nfs/dbraw/zinc/63/77/88/1123637788.db2.gz VSQRIUIMMHAMTO-UHFFFAOYSA-N 1 1 251.757 3.523 20 30 CHEDMO COc1c(C)cc(C[N@@H+](C)CCC(C)(C)C#N)cc1C ZINC000157903746 1129135069 /nfs/dbraw/zinc/13/50/69/1129135069.db2.gz DLCGMVSICUZXNT-UHFFFAOYSA-N 1 1 274.408 3.684 20 30 CHEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)cc2cccnc12 ZINC000346149759 1123667578 /nfs/dbraw/zinc/66/75/78/1123667578.db2.gz XQQRGCZPEMAQQZ-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cc2cccnc12 ZINC000346149759 1123667580 /nfs/dbraw/zinc/66/75/80/1123667580.db2.gz XQQRGCZPEMAQQZ-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1cn(-c2ccncc2)nc1C ZINC000346197143 1123671833 /nfs/dbraw/zinc/67/18/33/1123671833.db2.gz DQUPVDLILJDFEK-UHFFFAOYSA-N 1 1 298.434 3.754 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cn(-c2ccncc2)nc1C ZINC000346197143 1123671836 /nfs/dbraw/zinc/67/18/36/1123671836.db2.gz DQUPVDLILJDFEK-UHFFFAOYSA-N 1 1 298.434 3.754 20 30 CHEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000158115222 1129138916 /nfs/dbraw/zinc/13/89/16/1129138916.db2.gz WMISGNALYYOIFF-OAHLLOKOSA-N 1 1 268.470 3.924 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000859446411 1123698198 /nfs/dbraw/zinc/69/81/98/1123698198.db2.gz ZNPTVXRHNHKAJO-AWEZNQCLSA-N 1 1 252.361 3.633 20 30 CHEDMO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000186155525 1123806222 /nfs/dbraw/zinc/80/62/22/1123806222.db2.gz VJGCQPITUOBPHB-SNVBAGLBSA-N 1 1 290.363 3.618 20 30 CHEDMO CCCCCCCCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862792170 1123829671 /nfs/dbraw/zinc/82/96/71/1123829671.db2.gz OPIHYTUNLXJTQC-INIZCTEOSA-N 1 1 282.472 3.585 20 30 CHEDMO C=CCCC[N@H+](C)[C@H]1CCC[NH+](CCCC=C)CC1 ZINC000532825792 1123836289 /nfs/dbraw/zinc/83/62/89/1123836289.db2.gz SRTZPBVIEDVVFV-KRWDZBQOSA-N 1 1 264.457 3.705 20 30 CHEDMO C#CC[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000119501991 1123873266 /nfs/dbraw/zinc/87/32/66/1123873266.db2.gz PQVDMLNTLMUQJF-CYBMUJFWSA-N 1 1 270.401 3.745 20 30 CHEDMO C#CCn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3CC)cc2)cn1 ZINC000863692263 1123890765 /nfs/dbraw/zinc/89/07/65/1123890765.db2.gz SZSSIMXBZLRENM-IBGZPJMESA-N 1 1 293.414 3.558 20 30 CHEDMO C=CCc1cc(C[N@@H+](CC)CC2CCC2)c(O)c(OC)c1 ZINC000794688785 1123933210 /nfs/dbraw/zinc/93/32/10/1123933210.db2.gz REHDCDNXMHTACM-UHFFFAOYSA-N 1 1 289.419 3.751 20 30 CHEDMO CCc1[nH+]c(C)cn1Cc1ccc(C#N)cc1C(F)(F)F ZINC000865394293 1123980418 /nfs/dbraw/zinc/98/04/18/1123980418.db2.gz AWVROQXEEXBIQN-UHFFFAOYSA-N 1 1 293.292 3.693 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc(F)c1C#N ZINC000428355338 1123996840 /nfs/dbraw/zinc/99/68/40/1123996840.db2.gz OXNBQRLRXYDYJL-UHFFFAOYSA-N 1 1 284.334 3.521 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(F)c1C#N ZINC000428355338 1123996841 /nfs/dbraw/zinc/99/68/41/1123996841.db2.gz OXNBQRLRXYDYJL-UHFFFAOYSA-N 1 1 284.334 3.521 20 30 CHEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000081070323 1129160980 /nfs/dbraw/zinc/16/09/80/1129160980.db2.gz IQTBUIVBFZBBGF-NSHDSACASA-N 1 1 286.297 3.882 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000081070323 1129160983 /nfs/dbraw/zinc/16/09/83/1129160983.db2.gz IQTBUIVBFZBBGF-NSHDSACASA-N 1 1 286.297 3.882 20 30 CHEDMO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cccc(C#N)c1 ZINC000610003612 1124031621 /nfs/dbraw/zinc/03/16/21/1124031621.db2.gz BKYZJTKNDNUQBI-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000610003612 1124031626 /nfs/dbraw/zinc/03/16/26/1124031626.db2.gz BKYZJTKNDNUQBI-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO CCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866257689 1124042203 /nfs/dbraw/zinc/04/22/03/1124042203.db2.gz HGWWPWMTVYZSTL-SUMWQHHRSA-N 1 1 295.386 3.851 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000444589363 1124044397 /nfs/dbraw/zinc/04/43/97/1124044397.db2.gz ISEJFCRDJQPHAX-UHFFFAOYSA-N 1 1 269.392 3.710 20 30 CHEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C1(C)C ZINC000444640529 1124050082 /nfs/dbraw/zinc/05/00/82/1124050082.db2.gz NPWIZTRANZPIHV-WMLDXEAASA-N 1 1 280.456 3.842 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000428374671 1124050341 /nfs/dbraw/zinc/05/03/41/1124050341.db2.gz OVJRYHPTFKOTHL-UHFFFAOYSA-N 1 1 280.346 3.866 20 30 CHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CC[C@@H](C)C1 ZINC000444700269 1124055302 /nfs/dbraw/zinc/05/53/02/1124055302.db2.gz GBSGTPRWEIPVPT-CVEARBPZSA-N 1 1 280.456 3.843 20 30 CHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CC[C@H](C)C1 ZINC000444700270 1124055319 /nfs/dbraw/zinc/05/53/19/1124055319.db2.gz GBSGTPRWEIPVPT-HOTGVXAUSA-N 1 1 280.456 3.843 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccsc1 ZINC000866355387 1124056490 /nfs/dbraw/zinc/05/64/90/1124056490.db2.gz XKCGXPJETGBXAS-QWRGUYRKSA-N 1 1 272.373 3.737 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2csc(COC)n2)CCCC1(C)C ZINC000444788320 1124064751 /nfs/dbraw/zinc/06/47/51/1124064751.db2.gz UIFHHHIVJVOQOZ-AWEZNQCLSA-N 1 1 294.464 3.856 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2ccc(CO)cc2)CCCC1(C)C ZINC000444793219 1124065443 /nfs/dbraw/zinc/06/54/43/1124065443.db2.gz RNFVDCKSJSYKSA-QGZVFWFLSA-N 1 1 273.420 3.746 20 30 CHEDMO C=CC[C@H]1[N@H+](CC[C@H]2CCCN2C)CCCC1(C)C ZINC000444794101 1124065831 /nfs/dbraw/zinc/06/58/31/1124065831.db2.gz UPWHZIXQQZQPMY-HZPDHXFCSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CC[C@H]1[N@@H+](CC[C@H]2CCCN2C)CCCC1(C)C ZINC000444794101 1124065834 /nfs/dbraw/zinc/06/58/34/1124065834.db2.gz UPWHZIXQQZQPMY-HZPDHXFCSA-N 1 1 264.457 3.537 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1F ZINC000445852777 1124103637 /nfs/dbraw/zinc/10/36/37/1124103637.db2.gz YBNOLZBFFPWJOW-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C)c(OC)c1 ZINC000446815629 1124123574 /nfs/dbraw/zinc/12/35/74/1124123574.db2.gz WZGRQTIWAQEVAF-UHFFFAOYSA-N 1 1 285.387 3.827 20 30 CHEDMO CC[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446841424 1124125639 /nfs/dbraw/zinc/12/56/39/1124125639.db2.gz PNILDUCQMXASOO-AWEZNQCLSA-N 1 1 297.320 3.811 20 30 CHEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(F)c1C#N ZINC000428457525 1124127713 /nfs/dbraw/zinc/12/77/13/1124127713.db2.gz JULNIRGGGDZRTE-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(F)c1C#N ZINC000428457525 1124127715 /nfs/dbraw/zinc/12/77/15/1124127715.db2.gz JULNIRGGGDZRTE-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO C[N@@H+](CCOC1CCCCCC1)Cc1cccc(C#N)c1 ZINC000525420683 1124127976 /nfs/dbraw/zinc/12/79/76/1124127976.db2.gz NRGGMDLCXMNTMY-UHFFFAOYSA-N 1 1 286.419 3.729 20 30 CHEDMO Cc1csc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)n1 ZINC000184189426 1129176428 /nfs/dbraw/zinc/17/64/28/1129176428.db2.gz JKNDBZRAIVLMEA-GFCCVEGCSA-N 1 1 290.819 3.807 20 30 CHEDMO CCc1cc(C[N@@H+](CC)Cc2cccnc2)ccc1C#N ZINC001238777801 1131244821 /nfs/dbraw/zinc/24/48/21/1131244821.db2.gz IKWPJOPMRVOXFC-UHFFFAOYSA-N 1 1 279.387 3.538 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2ccsc2)ccc1C#N ZINC001238779985 1131246964 /nfs/dbraw/zinc/24/69/64/1131246964.db2.gz ZVXZBOUUPINWQB-UHFFFAOYSA-N 1 1 270.401 3.814 20 30 CHEDMO C=C(CC)C[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447391220 1124470634 /nfs/dbraw/zinc/47/06/34/1124470634.db2.gz JARKYQRYLCJUMJ-MRXNPFEDSA-N 1 1 295.430 3.712 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](C)COC ZINC000525865227 1124473815 /nfs/dbraw/zinc/47/38/15/1124473815.db2.gz JDBDDRJRWUYQGQ-LLVKDONJSA-N 1 1 273.829 3.672 20 30 CHEDMO CC[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447521514 1124479878 /nfs/dbraw/zinc/47/98/78/1124479878.db2.gz WLIFQZDVHPOYHW-LJQANCHMSA-N 1 1 299.462 3.721 20 30 CHEDMO CC[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447533603 1124483421 /nfs/dbraw/zinc/48/34/21/1124483421.db2.gz RVVALVBQIAWVPN-JTDSTZFVSA-N 1 1 299.462 3.862 20 30 CHEDMO CC[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447533603 1124483422 /nfs/dbraw/zinc/48/34/22/1124483422.db2.gz RVVALVBQIAWVPN-JTDSTZFVSA-N 1 1 299.462 3.862 20 30 CHEDMO COC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccc(C)o1 ZINC001119728836 1131263070 /nfs/dbraw/zinc/26/30/70/1131263070.db2.gz KHWOAYSOJMVBRW-KRWDZBQOSA-N 1 1 298.386 3.554 20 30 CHEDMO CC[C@H]([NH2+]Cc1nccn1CC(C)C)c1ccc(C#N)cc1 ZINC000447537108 1124484605 /nfs/dbraw/zinc/48/46/05/1124484605.db2.gz SPPXIPVPCPDVGB-KRWDZBQOSA-N 1 1 296.418 3.652 20 30 CHEDMO CC[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447535852 1124485223 /nfs/dbraw/zinc/48/52/23/1124485223.db2.gz IVRKOLOIJRUQKL-IBGZPJMESA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447535852 1124485227 /nfs/dbraw/zinc/48/52/27/1124485227.db2.gz IVRKOLOIJRUQKL-IBGZPJMESA-N 1 1 299.462 3.863 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(Cl)n2)C2CC2)cc1 ZINC000173582460 1124494488 /nfs/dbraw/zinc/49/44/88/1124494488.db2.gz UJFXQRLOHCIDTO-UHFFFAOYSA-N 1 1 297.789 3.771 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2cccc(Cl)n2)C2CC2)cc1 ZINC000173582460 1124494493 /nfs/dbraw/zinc/49/44/93/1124494493.db2.gz UJFXQRLOHCIDTO-UHFFFAOYSA-N 1 1 297.789 3.771 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000526001097 1124497507 /nfs/dbraw/zinc/49/75/07/1124497507.db2.gz DXQAOKSPFQDWJY-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000339089534 1124500734 /nfs/dbraw/zinc/50/07/34/1124500734.db2.gz AEFPXFKRGJFNBH-IPMKNSEASA-N 1 1 298.430 3.575 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000509658954 1124502554 /nfs/dbraw/zinc/50/25/54/1124502554.db2.gz UCEVOWWGRIIGJB-CQSZACIVSA-N 1 1 259.349 3.518 20 30 CHEDMO C=C(Br)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000122707504 1124524441 /nfs/dbraw/zinc/52/44/41/1124524441.db2.gz QTPAZDDMDKZBQR-UHFFFAOYSA-N 1 1 295.007 3.992 20 30 CHEDMO CCCCCCC[N@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000795120818 1124564576 /nfs/dbraw/zinc/56/45/76/1124564576.db2.gz MMNXYVOGTWRUFQ-INIZCTEOSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000795120818 1124564583 /nfs/dbraw/zinc/56/45/83/1124564583.db2.gz MMNXYVOGTWRUFQ-INIZCTEOSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000795120818 1124564613 /nfs/dbraw/zinc/56/46/13/1124564613.db2.gz MMNXYVOGTWRUFQ-INIZCTEOSA-N 1 1 266.473 3.763 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000448445146 1124582405 /nfs/dbraw/zinc/58/24/05/1124582405.db2.gz GIAWBGACJWBAPL-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000448445146 1124582410 /nfs/dbraw/zinc/58/24/10/1124582410.db2.gz GIAWBGACJWBAPL-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1F ZINC000449013304 1124628881 /nfs/dbraw/zinc/62/88/81/1124628881.db2.gz KLBWPQBFCLYUAR-UHFFFAOYSA-N 1 1 297.377 3.751 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1F ZINC000449014596 1124630026 /nfs/dbraw/zinc/63/00/26/1124630026.db2.gz QIZKWZWYJQVLJB-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1F ZINC000449014596 1124630028 /nfs/dbraw/zinc/63/00/28/1124630028.db2.gz QIZKWZWYJQVLJB-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(O)ccc1F ZINC000872058903 1124669103 /nfs/dbraw/zinc/66/91/03/1124669103.db2.gz ZKXIISIATXIEFV-LBPRGKRZSA-N 1 1 296.345 3.743 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2c1cccc2F ZINC001137055961 1124682442 /nfs/dbraw/zinc/68/24/42/1124682442.db2.gz GOQRVKCLGDZUAL-UHFFFAOYSA-N 1 1 273.355 3.823 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2F ZINC001137055961 1124682445 /nfs/dbraw/zinc/68/24/45/1124682445.db2.gz GOQRVKCLGDZUAL-UHFFFAOYSA-N 1 1 273.355 3.823 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872262335 1124700663 /nfs/dbraw/zinc/70/06/63/1124700663.db2.gz YQMAEHKSGPVLBZ-MRXNPFEDSA-N 1 1 278.440 3.740 20 30 CHEDMO CC(C)[C@@H]1C[N@@H+](CCCCC#N)CCN1Cc1ccccc1 ZINC000528642570 1124722124 /nfs/dbraw/zinc/72/21/24/1124722124.db2.gz WZZBUMUBPDWULB-IBGZPJMESA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)[C@@H]1CN(CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000528642570 1124722126 /nfs/dbraw/zinc/72/21/26/1124722126.db2.gz WZZBUMUBPDWULB-IBGZPJMESA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)[C@@H]1CN(CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000528642570 1124722129 /nfs/dbraw/zinc/72/21/29/1124722129.db2.gz WZZBUMUBPDWULB-IBGZPJMESA-N 1 1 299.462 3.523 20 30 CHEDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000872680452 1124724742 /nfs/dbraw/zinc/72/47/42/1124724742.db2.gz HQIBOAOEEHSXDC-YOEHRIQHSA-N 1 1 280.371 3.669 20 30 CHEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000389626708 1124729267 /nfs/dbraw/zinc/72/92/67/1124729267.db2.gz DDXQIBAQUWHFSO-SFHVURJKSA-N 1 1 299.462 3.695 20 30 CHEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000389626708 1124729281 /nfs/dbraw/zinc/72/92/81/1124729281.db2.gz DDXQIBAQUWHFSO-SFHVURJKSA-N 1 1 299.462 3.695 20 30 CHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000389626708 1124729286 /nfs/dbraw/zinc/72/92/86/1124729286.db2.gz DDXQIBAQUWHFSO-SFHVURJKSA-N 1 1 299.462 3.695 20 30 CHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CC1(C#N)CC1 ZINC000528774240 1124801609 /nfs/dbraw/zinc/80/16/09/1124801609.db2.gz LDRLLBXOANIMNZ-OAHLLOKOSA-N 1 1 272.367 3.697 20 30 CHEDMO C[N@H+]1CCc2cc(/C=C/c3ccc(C#N)cc3)ccc2C1 ZINC001239303403 1131312089 /nfs/dbraw/zinc/31/20/89/1131312089.db2.gz QKJNKIXURDREKS-GORDUTHDSA-N 1 1 274.367 3.717 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449729272 1124848457 /nfs/dbraw/zinc/84/84/57/1124848457.db2.gz ACHZSAXXBODFCC-OAHLLOKOSA-N 1 1 266.454 3.535 20 30 CHEDMO C=C(Br)C[NH2+][C@@H](CC)c1ccccc1OC ZINC000125141022 1124853497 /nfs/dbraw/zinc/85/34/97/1124853497.db2.gz RVHREJRVCKWDPG-LBPRGKRZSA-N 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CCc1nc2c(s1)[C@@H]([N@H+](C)CC1(C#N)CCC1)CCC2 ZINC000450595377 1125066343 /nfs/dbraw/zinc/06/63/43/1125066343.db2.gz KVMZOEPWLHDKQG-ZDUSSCGKSA-N 1 1 289.448 3.709 20 30 CHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC1(C#N)CCC1)CCC2 ZINC000450595377 1125066352 /nfs/dbraw/zinc/06/63/52/1125066352.db2.gz KVMZOEPWLHDKQG-ZDUSSCGKSA-N 1 1 289.448 3.709 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@H+](CCC3=CCCCC3)CCO2)c1 ZINC000450637881 1125077433 /nfs/dbraw/zinc/07/74/33/1125077433.db2.gz BFWHLIFSXLXMDA-LJQANCHMSA-N 1 1 296.414 3.822 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCC3=CCCCC3)CCO2)c1 ZINC000450637881 1125077440 /nfs/dbraw/zinc/07/74/40/1125077440.db2.gz BFWHLIFSXLXMDA-LJQANCHMSA-N 1 1 296.414 3.822 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCCC[C@@H]1C)c1ccccc1 ZINC000878105736 1125120010 /nfs/dbraw/zinc/12/00/10/1125120010.db2.gz HXTJMBYVBVPMKS-LPHOPBHVSA-N 1 1 298.430 3.692 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878124349 1125122682 /nfs/dbraw/zinc/12/26/82/1125122682.db2.gz 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/nfs/dbraw/zinc/13/92/82/1125139282.db2.gz NEVJKTSEGHGBBY-GFCCVEGCSA-N 1 1 254.443 3.532 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000127057539 1125143273 /nfs/dbraw/zinc/14/32/73/1125143273.db2.gz AZQZWJVQPVPMDH-ZDUSSCGKSA-N 1 1 298.411 3.597 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000487535925 1125144315 /nfs/dbraw/zinc/14/43/15/1125144315.db2.gz ITFWQIMPKYQXTQ-CQSZACIVSA-N 1 1 298.361 3.769 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nocc1C)c1ccccc1 ZINC000878368837 1125146073 /nfs/dbraw/zinc/14/60/73/1125146073.db2.gz MZPBEAGPUPXVCF-OAHLLOKOSA-N 1 1 256.349 3.780 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878406638 1125150038 /nfs/dbraw/zinc/15/00/38/1125150038.db2.gz ZTHUZBIKGFSPAG-CEXWTWQISA-N 1 1 298.430 3.922 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878406638 1125150040 /nfs/dbraw/zinc/15/00/40/1125150040.db2.gz ZTHUZBIKGFSPAG-CEXWTWQISA-N 1 1 298.430 3.922 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@H](C)C1)c1ccccc1 ZINC000878452460 1125154445 /nfs/dbraw/zinc/15/44/45/1125154445.db2.gz UWCLLQUUIXOKRO-QFBILLFUSA-N 1 1 298.430 3.549 20 30 CHEDMO CC[C@H](C)[N@@H+](CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878884894 1125183165 /nfs/dbraw/zinc/18/31/65/1125183165.db2.gz OIBMWXBNAZQZIA-YJBOKZPZSA-N 1 1 286.419 3.547 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000530971295 1125189618 /nfs/dbraw/zinc/18/96/18/1125189618.db2.gz UZLUMNIBSDGTRE-MSOLQXFVSA-N 1 1 268.404 3.948 20 30 CHEDMO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001136465044 1131338790 /nfs/dbraw/zinc/33/87/90/1131338790.db2.gz CTSNQZGAHUJEOV-QGZVFWFLSA-N 1 1 292.467 3.504 20 30 CHEDMO C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[C@@H]1C#N ZINC000879308357 1125208187 /nfs/dbraw/zinc/20/81/87/1125208187.db2.gz ARINKPHWOUBNSF-VSZNYVQBSA-N 1 1 284.403 3.531 20 30 CHEDMO C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[C@@H]1C#N ZINC000879308357 1125208190 /nfs/dbraw/zinc/20/81/90/1125208190.db2.gz ARINKPHWOUBNSF-VSZNYVQBSA-N 1 1 284.403 3.531 20 30 CHEDMO N#CCSCCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879479201 1125216542 /nfs/dbraw/zinc/21/65/42/1125216542.db2.gz KWLCNSSFDWOINO-MRXNPFEDSA-N 1 1 292.423 3.594 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529996 1125217714 /nfs/dbraw/zinc/21/77/14/1125217714.db2.gz IQYXCHIGRHZXNV-XYPHTWIQSA-N 1 1 252.361 3.517 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000879732376 1125228870 /nfs/dbraw/zinc/22/88/70/1125228870.db2.gz SDRMSFQIMFOJMV-INIZCTEOSA-N 1 1 298.430 3.959 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918358 1125239768 /nfs/dbraw/zinc/23/97/68/1125239768.db2.gz BNJHTCPBQLCQIA-CQSZACIVSA-N 1 1 261.413 3.679 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918358 1125239774 /nfs/dbraw/zinc/23/97/74/1125239774.db2.gz BNJHTCPBQLCQIA-CQSZACIVSA-N 1 1 261.413 3.679 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918358 1125239779 /nfs/dbraw/zinc/23/97/79/1125239779.db2.gz BNJHTCPBQLCQIA-CQSZACIVSA-N 1 1 261.413 3.679 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880003524 1125243359 /nfs/dbraw/zinc/24/33/59/1125243359.db2.gz IKLXUJOCJCJHFL-FZMZJTMJSA-N 1 1 282.309 3.894 20 30 CHEDMO COc1cccc([C@H]2CC[N@@H+](CCCCC#N)C2(C)C)c1 ZINC000880285696 1125261899 /nfs/dbraw/zinc/26/18/99/1125261899.db2.gz WDBOYEQPPVHDPB-QGZVFWFLSA-N 1 1 286.419 3.957 20 30 CHEDMO COc1cccc([C@H]2CC[N@@H+](CCCC#N)C2(C)C)c1 ZINC000880284819 1125261981 /nfs/dbraw/zinc/26/19/81/1125261981.db2.gz KLUWRJIUNVIKNG-MRXNPFEDSA-N 1 1 272.392 3.567 20 30 CHEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000109336053 1125269136 /nfs/dbraw/zinc/26/91/36/1125269136.db2.gz MXJVAHCIFVSOFL-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000880388512 1125271156 /nfs/dbraw/zinc/27/11/56/1125271156.db2.gz KYHYNNREVYQXIM-OAHLLOKOSA-N 1 1 271.364 3.565 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190978123 1125321839 /nfs/dbraw/zinc/32/18/39/1125321839.db2.gz BIYBKSHTXMXXLN-UHFFFAOYSA-N 1 1 278.440 3.740 20 30 CHEDMO CC([NH2+]Nc1cccc(Cl)c1F)=C1CC1(F)F ZINC000841621821 1125322043 /nfs/dbraw/zinc/32/20/43/1125322043.db2.gz NKPNDBVCRKWARQ-ZETCQYMHSA-N 1 1 262.662 3.922 20 30 CHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000398997238 1125339270 /nfs/dbraw/zinc/33/92/70/1125339270.db2.gz QBVMWROSLHAVFQ-YOEHRIQHSA-N 1 1 256.393 3.763 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000399139253 1125339345 /nfs/dbraw/zinc/33/93/45/1125339345.db2.gz UBQWBJRTRHJSKF-UHFFFAOYSA-N 1 1 276.383 3.701 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000130214022 1125358095 /nfs/dbraw/zinc/35/80/95/1125358095.db2.gz DBERUJTXALVZII-AWEZNQCLSA-N 1 1 284.403 3.884 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000131067095 1125372712 /nfs/dbraw/zinc/37/27/12/1125372712.db2.gz GAYRNMHJIFQQPX-KBPBESRZSA-N 1 1 284.359 3.763 20 30 CHEDMO C=CCCC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000883223338 1125380155 /nfs/dbraw/zinc/38/01/55/1125380155.db2.gz MZANXVZCNKKGEX-SJORKVTESA-N 1 1 295.430 3.954 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1nccnc1OC)c1ccccc1 ZINC000883324998 1125396864 /nfs/dbraw/zinc/39/68/64/1125396864.db2.gz LPDMICGBHZIGQC-INIZCTEOSA-N 1 1 297.402 3.672 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000532586920 1125416457 /nfs/dbraw/zinc/41/64/57/1125416457.db2.gz ZRTIBNUSLLRTPJ-HNNXBMFYSA-N 1 1 280.456 3.502 20 30 CHEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCOC ZINC001253239770 1125416875 /nfs/dbraw/zinc/41/68/75/1125416875.db2.gz SAPMFTLWTLTNFD-ZWKOTPCHSA-N 1 1 297.483 3.765 20 30 CHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001253239944 1125418265 /nfs/dbraw/zinc/41/82/65/1125418265.db2.gz WDCGCQJDBDXJMH-LSDHHAIUSA-N 1 1 287.394 3.605 20 30 CHEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCc1cccs1 ZINC000532609939 1125426244 /nfs/dbraw/zinc/42/62/44/1125426244.db2.gz CUYQVUOFPYDUBB-UHFFFAOYSA-N 1 1 287.403 3.803 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1ccc(Br)cc1 ZINC000042224160 1125440650 /nfs/dbraw/zinc/44/06/50/1125440650.db2.gz XQIWQBWITUPDDT-UHFFFAOYSA-N 1 1 281.197 3.575 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126013783 1125452186 /nfs/dbraw/zinc/45/21/86/1125452186.db2.gz KQONOOYUMMZPLJ-CQSZACIVSA-N 1 1 293.208 3.890 20 30 CHEDMO CC[C@H](C)[N@@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000159228321 1129193852 /nfs/dbraw/zinc/19/38/52/1129193852.db2.gz DQXFMAMSTNSWAO-AWEZNQCLSA-N 1 1 296.455 3.759 20 30 CHEDMO CC(C)[C@@H](C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000245501324 1129209208 /nfs/dbraw/zinc/20/92/08/1129209208.db2.gz CMGOWEYYZGXMIQ-HUUCEWRRSA-N 1 1 286.419 3.986 20 30 CHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245786133 1129225771 /nfs/dbraw/zinc/22/57/71/1129225771.db2.gz VFYMYJFNUSRJDG-UONOGXRCSA-N 1 1 292.448 3.551 20 30 CHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622134081 1129230074 /nfs/dbraw/zinc/23/00/74/1129230074.db2.gz VFYDONOVZAMEPW-IKGGRYGDSA-N 1 1 292.467 3.502 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637974594 1129239233 /nfs/dbraw/zinc/23/92/33/1129239233.db2.gz PHIREAQQQQUWOZ-GOSISDBHSA-N 1 1 295.430 3.602 20 30 CHEDMO CC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccncc1 ZINC000348082868 1129279826 /nfs/dbraw/zinc/27/98/26/1129279826.db2.gz XRGGZVFRKNUDMX-UHFFFAOYSA-N 1 1 284.790 3.609 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccncc1 ZINC000348082868 1129279829 /nfs/dbraw/zinc/27/98/29/1129279829.db2.gz XRGGZVFRKNUDMX-UHFFFAOYSA-N 1 1 284.790 3.609 20 30 CHEDMO CC(C)[N@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC000735308845 1129339855 /nfs/dbraw/zinc/33/98/55/1129339855.db2.gz VLKJPQRJEXZDGT-UHFFFAOYSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735493292 1129349726 /nfs/dbraw/zinc/34/97/26/1129349726.db2.gz OBDLLQDGWLGYBY-UHFFFAOYSA-N 1 1 280.755 3.646 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001138824213 1129352607 /nfs/dbraw/zinc/35/26/07/1129352607.db2.gz DQYASFRJZJLCKR-ZDUSSCGKSA-N 1 1 254.333 3.558 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000092704018 1129404886 /nfs/dbraw/zinc/40/48/86/1129404886.db2.gz RTTQKOOBVSMZSY-CYBMUJFWSA-N 1 1 284.403 3.598 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1cc(F)ccc1F ZINC000739929925 1129409873 /nfs/dbraw/zinc/40/98/73/1129409873.db2.gz HHVCLPLBPBPIQB-INIZCTEOSA-N 1 1 283.362 3.676 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](CC)Cc2ccoc2)cc1 ZINC000092935899 1129412341 /nfs/dbraw/zinc/41/23/41/1129412341.db2.gz QDMDSOKRHLENQM-UHFFFAOYSA-N 1 1 283.371 3.704 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000740861066 1129422830 /nfs/dbraw/zinc/42/28/30/1129422830.db2.gz UJKNUFABAVTXAE-ZIAGYGMSSA-N 1 1 289.419 3.750 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000093442068 1129424090 /nfs/dbraw/zinc/42/40/90/1129424090.db2.gz RZJWXOZXHCZARG-HDICACEKSA-N 1 1 297.446 3.658 20 30 CHEDMO C=CC[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1F ZINC000795869933 1129453510 /nfs/dbraw/zinc/45/35/10/1129453510.db2.gz XZWQOELFVWMRKH-LJQANCHMSA-N 1 1 299.389 3.937 20 30 CHEDMO C#CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796281028 1129510736 /nfs/dbraw/zinc/51/07/36/1129510736.db2.gz HUPHHAIXMNSZQO-KSZLIROESA-N 1 1 253.389 3.668 20 30 CHEDMO C#CC[N@H+](Cc1cc2c(cc1O)CCC2)C1CCCCC1 ZINC000744153889 1129556314 /nfs/dbraw/zinc/55/63/14/1129556314.db2.gz OXNRVCZCXPUQKB-UHFFFAOYSA-N 1 1 283.415 3.649 20 30 CHEDMO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344368 1129571775 /nfs/dbraw/zinc/57/17/75/1129571775.db2.gz PEXGILXVWQFKQZ-QRVBRYPASA-N 1 1 286.463 3.666 20 30 CHEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000414297463 1129580689 /nfs/dbraw/zinc/58/06/89/1129580689.db2.gz IEUCRRDXTCUWIR-NVXWUHKLSA-N 1 1 281.403 3.564 20 30 CHEDMO CCCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000744660022 1129583773 /nfs/dbraw/zinc/58/37/73/1129583773.db2.gz YFLXHLJYTUKSJX-SJORKVTESA-N 1 1 294.483 3.822 20 30 CHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000745948682 1129619214 /nfs/dbraw/zinc/61/92/14/1129619214.db2.gz RCNOXWLBWJMLQD-IUODEOHRSA-N 1 1 292.810 3.863 20 30 CHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000745948683 1129619295 /nfs/dbraw/zinc/61/92/95/1129619295.db2.gz RCNOXWLBWJMLQD-SWLSCSKDSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)CCC ZINC000746075072 1129624168 /nfs/dbraw/zinc/62/41/68/1129624168.db2.gz ZPYCPHHKKUFNQN-UHFFFAOYSA-N 1 1 275.421 3.614 20 30 CHEDMO CSc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1F ZINC000418143572 1129637642 /nfs/dbraw/zinc/63/76/42/1129637642.db2.gz QJEDVIWBFCCSIX-NSHDSACASA-N 1 1 278.396 3.892 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2ccc(C#N)cc2O)cc1 ZINC001212970649 1129643703 /nfs/dbraw/zinc/64/37/03/1129643703.db2.gz AQQXFWOLDTUKSB-UHFFFAOYSA-N 1 1 281.359 3.854 20 30 CHEDMO C=CCC[C@H](C)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001258734056 1129650330 /nfs/dbraw/zinc/65/03/30/1129650330.db2.gz QPEMSAUWPDOZLM-AWEZNQCLSA-N 1 1 284.444 3.578 20 30 CHEDMO C=CC[N@H+]([C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001168879471 1129681558 /nfs/dbraw/zinc/68/15/58/1129681558.db2.gz GLLCOZYBUGEURB-UONOGXRCSA-N 1 1 296.455 3.671 20 30 CHEDMO C=CCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916273 1129687004 /nfs/dbraw/zinc/68/70/04/1129687004.db2.gz UBBVAKHGHKDRJL-ULQDDVLXSA-N 1 1 257.377 3.557 20 30 CHEDMO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001168957765 1129687670 /nfs/dbraw/zinc/68/76/70/1129687670.db2.gz JHBJLXUBXJEEJG-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO CCCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169098442 1129696170 /nfs/dbraw/zinc/69/61/70/1129696170.db2.gz IDVCJJGPJBHHDG-OSYLJGHBSA-N 1 1 266.473 3.952 20 30 CHEDMO N#CCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421403485 1129710625 /nfs/dbraw/zinc/71/06/25/1129710625.db2.gz XAURNHRIPCKZIV-UHFFFAOYSA-N 1 1 294.402 3.668 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC001169243098 1129712043 /nfs/dbraw/zinc/71/20/43/1129712043.db2.gz KOZQJROATWHXTJ-UHFFFAOYSA-N 1 1 298.386 3.584 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC001169243098 1129712048 /nfs/dbraw/zinc/71/20/48/1129712048.db2.gz KOZQJROATWHXTJ-UHFFFAOYSA-N 1 1 298.386 3.584 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@@H]1CCCC[C@H]1CC ZINC001169331197 1129718025 /nfs/dbraw/zinc/71/80/25/1129718025.db2.gz HMXIMEPEOFUXIA-VXGBXAGGSA-N 1 1 260.219 3.796 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cc2ccccc2o1 ZINC001169306969 1129718133 /nfs/dbraw/zinc/71/81/33/1129718133.db2.gz LCKHWJGWNGVSIQ-LBPRGKRZSA-N 1 1 277.327 3.550 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)[C@H]1CCN(C(C)=O)C1 ZINC001169562698 1129737539 /nfs/dbraw/zinc/73/75/39/1129737539.db2.gz HBGKQQZNJGGXHH-KRWDZBQOSA-N 1 1 282.472 3.680 20 30 CHEDMO N#CC12CCC(Nc3[nH+]ccc4cc[nH]c43)(CC1)CC2 ZINC001169749864 1129752799 /nfs/dbraw/zinc/75/27/99/1129752799.db2.gz HBTDBTAPWAPMRO-UHFFFAOYSA-N 1 1 266.348 3.591 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169734230 1129753748 /nfs/dbraw/zinc/75/37/48/1129753748.db2.gz TXEQKOLQBFAWJM-CABCVRRESA-N 1 1 296.455 3.578 20 30 CHEDMO CCCCCCCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC001169809696 1129757753 /nfs/dbraw/zinc/75/77/53/1129757753.db2.gz CKTSZXOKSQAQTN-FCEWJHQRSA-N 1 1 287.513 3.968 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC001169809696 1129757755 /nfs/dbraw/zinc/75/77/55/1129757755.db2.gz CKTSZXOKSQAQTN-FCEWJHQRSA-N 1 1 287.513 3.968 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCO[C@H]1CCCC[C@@H]1C ZINC001169862355 1129762771 /nfs/dbraw/zinc/76/27/71/1129762771.db2.gz DRJMZJYLLTXTBM-XHSDSOJGSA-N 1 1 251.414 3.622 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC001169941645 1129765432 /nfs/dbraw/zinc/76/54/32/1129765432.db2.gz CVXLSQHAPSZSBA-AWEZNQCLSA-N 1 1 286.419 3.967 20 30 CHEDMO C#CCCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000766896597 1129768759 /nfs/dbraw/zinc/76/87/59/1129768759.db2.gz UQVZIIJMFUJVJT-GFCCVEGCSA-N 1 1 280.209 3.855 20 30 CHEDMO C#CCCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000766894318 1129768776 /nfs/dbraw/zinc/76/87/76/1129768776.db2.gz DOZVPPSHVZDSPH-UHFFFAOYSA-N 1 1 268.187 3.765 20 30 CHEDMO C#CCCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000766894318 1129768779 /nfs/dbraw/zinc/76/87/79/1129768779.db2.gz DOZVPPSHVZDSPH-UHFFFAOYSA-N 1 1 268.187 3.765 20 30 CHEDMO C#CCCC[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000766896333 1129769261 /nfs/dbraw/zinc/76/92/61/1129769261.db2.gz RDUGPVIRCADZED-UHFFFAOYSA-N 1 1 295.430 3.643 20 30 CHEDMO C#CCCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000766914786 1129769868 /nfs/dbraw/zinc/76/98/68/1129769868.db2.gz WQEVSCAFAVQOMY-INIZCTEOSA-N 1 1 266.388 3.761 20 30 CHEDMO C#CCCC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000766902620 1129769981 /nfs/dbraw/zinc/76/99/81/1129769981.db2.gz LTRKWJFDRHRFEB-KRWDZBQOSA-N 1 1 261.384 3.738 20 30 CHEDMO CCCCCCCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000767912077 1129822005 /nfs/dbraw/zinc/82/20/05/1129822005.db2.gz MKEYBLWGMDPWEF-CABCVRRESA-N 1 1 271.470 3.553 20 30 CHEDMO C#CC[C@H]([NH2+]C/C(Cl)=C\Cl)c1ccccc1 ZINC000381540130 1129841798 /nfs/dbraw/zinc/84/17/98/1129841798.db2.gz HIKMGCOUFMOMBX-SRXBQZRASA-N 1 1 254.160 3.660 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000768194585 1129842341 /nfs/dbraw/zinc/84/23/41/1129842341.db2.gz BUEBTBBSGZEKBP-LBPRGKRZSA-N 1 1 268.385 3.739 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)CC[C@H]1CC1(Cl)Cl ZINC000822831608 1131401130 /nfs/dbraw/zinc/40/11/30/1131401130.db2.gz NHLLXJHGTGCTNT-LBPRGKRZSA-N 1 1 288.218 3.894 20 30 CHEDMO COc1cccc2cc([C@H](C)[NH2+]CC3(C#N)CCC3)oc21 ZINC000828812363 1131401731 /nfs/dbraw/zinc/40/17/31/1131401731.db2.gz YNVRHGLDVWIPRU-LBPRGKRZSA-N 1 1 284.359 3.786 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(C2CCC2)s1)C(C)C ZINC000768550371 1129862322 /nfs/dbraw/zinc/86/23/22/1129862322.db2.gz MJLOEVJUDGMEQU-UHFFFAOYSA-N 1 1 250.411 3.807 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768316264 1129851715 /nfs/dbraw/zinc/85/17/15/1129851715.db2.gz BNNJCZGJBMDQAO-YOEHRIQHSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768318402 1129852294 /nfs/dbraw/zinc/85/22/94/1129852294.db2.gz MFYXMAUWPYQJQD-GOSISDBHSA-N 1 1 285.435 3.657 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(Cl)c2)no1 ZINC000900003779 1129856315 /nfs/dbraw/zinc/85/63/15/1129856315.db2.gz PEEORKDJSYPTRD-ZDUSSCGKSA-N 1 1 291.782 3.670 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc([C@@H]2CCCO2)no1 ZINC000900012011 1129856672 /nfs/dbraw/zinc/85/66/72/1129856672.db2.gz PEASJYQGMOZEOC-OLZOCXBDSA-N 1 1 281.400 3.672 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000768531871 1129859626 /nfs/dbraw/zinc/85/96/26/1129859626.db2.gz FLASEFZEKXMPQC-OAHLLOKOSA-N 1 1 283.415 3.852 20 30 CHEDMO C#CCCC[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000768778962 1129874413 /nfs/dbraw/zinc/87/44/13/1129874413.db2.gz TZZDQMMJTSBJPY-UHFFFAOYSA-N 1 1 269.388 3.588 20 30 CHEDMO CC[N@@H+](Cc1ccccc1N1CCCCC1)C[C@H](C)C#N ZINC000768880138 1129879784 /nfs/dbraw/zinc/87/97/84/1129879784.db2.gz CTNYSVXHSICBQH-MRXNPFEDSA-N 1 1 285.435 3.658 20 30 CHEDMO CC[N@H+](Cc1ccccc1N1CCCCC1)C[C@H](C)C#N ZINC000768880138 1129879788 /nfs/dbraw/zinc/87/97/88/1129879788.db2.gz CTNYSVXHSICBQH-MRXNPFEDSA-N 1 1 285.435 3.658 20 30 CHEDMO C#CC[N@@H+](Cc1cnc(C2CC2)s1)C1CCCCC1 ZINC000769146434 1129892131 /nfs/dbraw/zinc/89/21/31/1129892131.db2.gz YNJRUOQJKIGSEP-UHFFFAOYSA-N 1 1 274.433 3.788 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1 ZINC000769315829 1129901811 /nfs/dbraw/zinc/90/18/11/1129901811.db2.gz WQRXSUAUYVUWDW-PBHICJAKSA-N 1 1 286.419 3.988 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)CCSC)cc1 ZINC000769464259 1129912084 /nfs/dbraw/zinc/91/20/84/1129912084.db2.gz YDESPDSNCMRZKH-HNNXBMFYSA-N 1 1 291.460 3.662 20 30 CHEDMO C#CC[N@@H+](Cc1nccc2ccccc21)C1CCCC1 ZINC000769531009 1129915757 /nfs/dbraw/zinc/91/57/57/1129915757.db2.gz QCPDFYZOHJMUGM-UHFFFAOYSA-N 1 1 264.372 3.613 20 30 CHEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccco2)c2ccccn21 ZINC000769771482 1129923147 /nfs/dbraw/zinc/92/31/47/1129923147.db2.gz NZXNRKQZCPSNIH-HJWRWDBZSA-N 1 1 280.327 3.947 20 30 CHEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000801514561 1129923452 /nfs/dbraw/zinc/92/34/52/1129923452.db2.gz XLMNSHPSFLQXKG-UHFFFAOYSA-N 1 1 290.338 3.502 20 30 CHEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000801915695 1129958532 /nfs/dbraw/zinc/95/85/32/1129958532.db2.gz MDRHXUNHIUZNKL-ZIAGYGMSSA-N 1 1 286.375 3.744 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000772600766 1130033873 /nfs/dbraw/zinc/03/38/73/1130033873.db2.gz ZDJOZFDCSPNHRK-KDOFPFPSSA-N 1 1 295.386 3.643 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1cc(C#N)ccn1 ZINC000902723742 1130045435 /nfs/dbraw/zinc/04/54/35/1130045435.db2.gz TVUJWARFNCSSCQ-GHMZBOCLSA-N 1 1 287.313 3.643 20 30 CHEDMO CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000902777209 1130055567 /nfs/dbraw/zinc/05/55/67/1130055567.db2.gz UBDLBZCBTAHWDK-LJQANCHMSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1 ZINC000902777209 1130055572 /nfs/dbraw/zinc/05/55/72/1130055572.db2.gz UBDLBZCBTAHWDK-LJQANCHMSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1cc(C#N)ccn1 ZINC000902911308 1130082366 /nfs/dbraw/zinc/08/23/66/1130082366.db2.gz SQMALBCLEUQAOM-GFCCVEGCSA-N 1 1 297.789 3.947 20 30 CHEDMO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cc(C#N)ccn1 ZINC000902915872 1130084373 /nfs/dbraw/zinc/08/43/73/1130084373.db2.gz ZLHVKCUMWHZMMZ-LBPRGKRZSA-N 1 1 297.789 3.947 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)c1cccc(C#N)c1 ZINC000902951605 1130091032 /nfs/dbraw/zinc/09/10/32/1130091032.db2.gz OKSQHAWEWCPAGI-IINYFYTJSA-N 1 1 286.404 3.520 20 30 CHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000786446139 1130093210 /nfs/dbraw/zinc/09/32/10/1130093210.db2.gz RTLLFSMXUOJKPM-UHFFFAOYSA-N 1 1 294.398 3.800 20 30 CHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1SC ZINC000903031582 1130101837 /nfs/dbraw/zinc/10/18/37/1130101837.db2.gz MGPFSAGOZGXPQA-GFCCVEGCSA-N 1 1 290.432 3.762 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCC1 ZINC000903032575 1130102652 /nfs/dbraw/zinc/10/26/52/1130102652.db2.gz KARXWWHYQISYMB-AWEZNQCLSA-N 1 1 290.794 3.837 20 30 CHEDMO Cc1ccc([C@@H]([NH2+]CC(C)(C)C#N)C2CCCC2)o1 ZINC000903100215 1130112163 /nfs/dbraw/zinc/11/21/63/1130112163.db2.gz KJUFXIWBTGJSSM-HNNXBMFYSA-N 1 1 260.381 3.959 20 30 CHEDMO Cc1cc(Br)ccc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903109819 1130114678 /nfs/dbraw/zinc/11/46/78/1130114678.db2.gz WEIXVFIKKXSXSC-NSHDSACASA-N 1 1 293.208 3.712 20 30 CHEDMO Cc1cc(Br)ccc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903109818 1130114695 /nfs/dbraw/zinc/11/46/95/1130114695.db2.gz WEIXVFIKKXSXSC-LLVKDONJSA-N 1 1 293.208 3.712 20 30 CHEDMO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000903108044 1130114961 /nfs/dbraw/zinc/11/49/61/1130114961.db2.gz LAIXLXHAWYHGMR-HNNXBMFYSA-N 1 1 287.363 3.719 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000787025125 1130125651 /nfs/dbraw/zinc/12/56/51/1130125651.db2.gz DGYNNPMNFUKMQC-DIFFPNOSSA-N 1 1 296.345 3.741 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000787025121 1130126127 /nfs/dbraw/zinc/12/61/27/1130126127.db2.gz DGYNNPMNFUKMQC-APPDUMDISA-N 1 1 296.345 3.741 20 30 CHEDMO Cc1[nH+]c2c(Nc3ccccc3OCC#N)cccn2c1C ZINC001212599150 1130130384 /nfs/dbraw/zinc/13/03/84/1130130384.db2.gz GDASSQHIUWVCSM-UHFFFAOYSA-N 1 1 292.342 3.597 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1C ZINC000746654421 1130134768 /nfs/dbraw/zinc/13/47/68/1130134768.db2.gz IDBGCLDVCNUOAV-LJQANCHMSA-N 1 1 299.389 3.856 20 30 CHEDMO CCc1ccc([C@@H](CC)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903263979 1130139093 /nfs/dbraw/zinc/13/90/93/1130139093.db2.gz PQFSNROMKZIFLA-OAHLLOKOSA-N 1 1 285.416 3.818 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(C)c1 ZINC000903262917 1130139806 /nfs/dbraw/zinc/13/98/06/1130139806.db2.gz JHUIEUSALWWFMD-CQSZACIVSA-N 1 1 271.389 3.564 20 30 CHEDMO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000746705780 1130158803 /nfs/dbraw/zinc/15/88/03/1130158803.db2.gz BFGAFJAXKKEPRI-CYBMUJFWSA-N 1 1 274.408 3.590 20 30 CHEDMO Cc1cc(C[N@H+](C)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000746705780 1130158805 /nfs/dbraw/zinc/15/88/05/1130158805.db2.gz BFGAFJAXKKEPRI-CYBMUJFWSA-N 1 1 274.408 3.590 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788589846 1130196418 /nfs/dbraw/zinc/19/64/18/1130196418.db2.gz WRLPRSJGRJSGLY-ZDUSSCGKSA-N 1 1 280.755 3.659 20 30 CHEDMO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1O ZINC000788803396 1130208891 /nfs/dbraw/zinc/20/88/91/1130208891.db2.gz SKYSRIVGFSCEQO-JTQLQIEISA-N 1 1 298.308 3.755 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1 ZINC000753589532 1130221764 /nfs/dbraw/zinc/22/17/64/1130221764.db2.gz IUVQCSNMPYSMIM-ZBFHGGJFSA-N 1 1 286.419 3.845 20 30 CHEDMO C#CC[N@H+](Cc1ccn(-c2ccccc2)n1)C1CCCCC1 ZINC000748802561 1130246373 /nfs/dbraw/zinc/24/63/73/1130246373.db2.gz KDEOURHSSYYMBT-UHFFFAOYSA-N 1 1 293.414 3.640 20 30 CHEDMO C#CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C1CCCCC1 ZINC000748802561 1130246378 /nfs/dbraw/zinc/24/63/78/1130246378.db2.gz KDEOURHSSYYMBT-UHFFFAOYSA-N 1 1 293.414 3.640 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001139313547 1130252881 /nfs/dbraw/zinc/25/28/81/1130252881.db2.gz CGTZJEGEKOMESO-JTQLQIEISA-N 1 1 299.237 3.636 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2sccc2Br)CC1 ZINC001139313547 1130252884 /nfs/dbraw/zinc/25/28/84/1130252884.db2.gz CGTZJEGEKOMESO-JTQLQIEISA-N 1 1 299.237 3.636 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cn(C)nc2C)cc1 ZINC001240305199 1130259067 /nfs/dbraw/zinc/25/90/67/1130259067.db2.gz PFJPGHJCCYLKRA-GOSISDBHSA-N 1 1 281.403 3.718 20 30 CHEDMO C=C(Br)C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000749114560 1130265623 /nfs/dbraw/zinc/26/56/23/1130265623.db2.gz BJLNBUJHUKXHFW-UHFFFAOYSA-N 1 1 297.240 3.650 20 30 CHEDMO COCC#CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000677133495 1130293327 /nfs/dbraw/zinc/29/33/27/1130293327.db2.gz ZEDNAFXRWCMSRI-LJQANCHMSA-N 1 1 279.383 3.627 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000826877125 1130305525 /nfs/dbraw/zinc/30/55/25/1130305525.db2.gz AAUPAGIYKUNZSG-DLBZAZTESA-N 1 1 296.499 3.831 20 30 CHEDMO Cc1csc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1Cl ZINC001137292913 1130308298 /nfs/dbraw/zinc/30/82/98/1130308298.db2.gz VQMBQHWQOLRWCV-CNDDSTCGSA-N 1 1 280.824 3.977 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000826946927 1130317358 /nfs/dbraw/zinc/31/73/58/1130317358.db2.gz LXOZEVZYDVEQFI-HZPDHXFCSA-N 1 1 284.403 3.766 20 30 CHEDMO C=CC[N@H+](Cc1cnc2ccc(C)cn12)C1CCCCC1 ZINC001137312395 1130330924 /nfs/dbraw/zinc/33/09/24/1130330924.db2.gz SPUCERMOLCYCOT-UHFFFAOYSA-N 1 1 283.419 3.963 20 30 CHEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000678050125 1130346647 /nfs/dbraw/zinc/34/66/47/1130346647.db2.gz VXKDLQXNTJEZAX-GOSISDBHSA-N 1 1 269.388 3.599 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001170156155 1130380494 /nfs/dbraw/zinc/38/04/94/1130380494.db2.gz AQHLOXHDWRYDJV-HFTRVMKXSA-N 1 1 284.403 3.590 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccnn2CC)cc1 ZINC001240717241 1130436159 /nfs/dbraw/zinc/43/61/59/1130436159.db2.gz AAXOFJLVIOBEBR-QGZVFWFLSA-N 1 1 281.403 3.893 20 30 CHEDMO CCCCCCCCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000792232302 1130438773 /nfs/dbraw/zinc/43/87/73/1130438773.db2.gz OQMMAEWTTLVCBS-MRXNPFEDSA-N 1 1 254.462 3.621 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000792232302 1130438778 /nfs/dbraw/zinc/43/87/78/1130438778.db2.gz OQMMAEWTTLVCBS-MRXNPFEDSA-N 1 1 254.462 3.621 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000792210026 1130440445 /nfs/dbraw/zinc/44/04/45/1130440445.db2.gz IYXTUNAVFAHPNK-LPOKXYRGSA-N 1 1 265.400 3.549 20 30 CHEDMO CCCCCCCC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000792415061 1130449279 /nfs/dbraw/zinc/44/92/79/1130449279.db2.gz JUFXWXPOUNYDEW-MRXNPFEDSA-N 1 1 295.496 3.871 20 30 CHEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCO[C@@H](CC)C1 ZINC001170178085 1130454464 /nfs/dbraw/zinc/45/44/64/1130454464.db2.gz MUGUKVBXSUGOML-SJORKVTESA-N 1 1 284.488 3.565 20 30 CHEDMO C=CC[N@@H+](Cc1[nH]nc2ccccc21)C1CCCCC1 ZINC001137351563 1130464081 /nfs/dbraw/zinc/46/40/81/1130464081.db2.gz DJYMRZPRBAPHKR-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C=CC[N@H+](Cc1n[nH]c2ccccc21)C1CCCCC1 ZINC001137351563 1130464083 /nfs/dbraw/zinc/46/40/83/1130464083.db2.gz DJYMRZPRBAPHKR-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C=CC[N@@H+](Cc1n[nH]c2ccccc21)C1CCCCC1 ZINC001137351563 1130464087 /nfs/dbraw/zinc/46/40/87/1130464087.db2.gz DJYMRZPRBAPHKR-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170286616 1130479271 /nfs/dbraw/zinc/47/92/71/1130479271.db2.gz CXIUFOCXOHNZEG-KGLIPLIRSA-N 1 1 261.796 3.616 20 30 CHEDMO C=CCCCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001170341741 1130486628 /nfs/dbraw/zinc/48/66/28/1130486628.db2.gz CWQGNOWCPGZQDB-KRWDZBQOSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001170341741 1130486635 /nfs/dbraw/zinc/48/66/35/1130486635.db2.gz CWQGNOWCPGZQDB-KRWDZBQOSA-N 1 1 277.383 3.945 20 30 CHEDMO C=C(C)c1cc(C)c2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001240830846 1130488391 /nfs/dbraw/zinc/48/83/91/1130488391.db2.gz KECRBNUYVXHNCM-UHFFFAOYSA-N 1 1 278.399 3.981 20 30 CHEDMO CCCCCCC[C@H](C)[NH2+]Cc1ncccc1O ZINC000793254517 1130536028 /nfs/dbraw/zinc/53/60/28/1130536028.db2.gz BQXBSSFRDJLCAU-ZDUSSCGKSA-N 1 1 250.386 3.626 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393635 1130562199 /nfs/dbraw/zinc/56/21/99/1130562199.db2.gz ZHNVMEDWNYGDNL-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(Cl)cc1 ZINC000811516514 1130615513 /nfs/dbraw/zinc/61/55/13/1130615513.db2.gz NZJOEJMXFQHWNC-SFHVURJKSA-N 1 1 299.801 3.951 20 30 CHEDMO C=CC[C@@H](CCC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234423416 1130642742 /nfs/dbraw/zinc/64/27/42/1130642742.db2.gz KEHONJIBKSWNGB-HNNXBMFYSA-N 1 1 259.393 3.798 20 30 CHEDMO CC(C)[N@H+]1CC[C@@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234427620 1130643739 /nfs/dbraw/zinc/64/37/39/1130643739.db2.gz CTJOCPGRYRCLRT-LLVKDONJSA-N 1 1 299.201 3.727 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1Cl ZINC000796640412 1130674307 /nfs/dbraw/zinc/67/43/07/1130674307.db2.gz RNKWSGXADJREKU-SFHVURJKSA-N 1 1 299.801 3.509 20 30 CHEDMO Clc1ccc(C[NH+]2CCC(=NOC3CCC3)CC2)cc1 ZINC000812235766 1130675797 /nfs/dbraw/zinc/67/57/97/1130675797.db2.gz AWJJTRJWFLDYDQ-UHFFFAOYSA-N 1 1 292.810 3.861 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234999528 1130700336 /nfs/dbraw/zinc/70/03/36/1130700336.db2.gz 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N#Cc1ccc(CO[NH+]=C(N)C2CCCCC2)c(Cl)c1 ZINC000783984337 1130865957 /nfs/dbraw/zinc/86/59/57/1130865957.db2.gz KHIGUGQFPVNSBA-UHFFFAOYSA-N 1 1 291.782 3.790 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000784010847 1130867472 /nfs/dbraw/zinc/86/74/72/1130867472.db2.gz BHUDUZPNZJSJDY-SFHVURJKSA-N 1 1 280.371 3.671 20 30 CHEDMO CCCCCCC/C=C/CN(C)C1(C)CC[NH2+]CC1 ZINC001236220929 1130895916 /nfs/dbraw/zinc/89/59/16/1130895916.db2.gz AELNXGVWXLCSSX-ZHACJKMWSA-N 1 1 266.473 3.977 20 30 CHEDMO CC(=[NH+]Nc1ccc(F)cc1)c1cc(F)c(N)c(F)c1 ZINC000814693533 1130901646 /nfs/dbraw/zinc/90/16/46/1130901646.db2.gz WGMVYAYQMSLCIF-UHFFFAOYSA-N 1 1 279.265 3.522 20 30 CHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000784391344 1130903374 /nfs/dbraw/zinc/90/33/74/1130903374.db2.gz KOJDUHCOAJGTOF-KRWDZBQOSA-N 1 1 284.403 3.615 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2c(c1)NCCC2)C(C)(C)C ZINC001236307400 1130912754 /nfs/dbraw/zinc/91/27/54/1130912754.db2.gz BLGRJGRPRQACJP-UHFFFAOYSA-N 1 1 258.409 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CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001237631913 1131121608 /nfs/dbraw/zinc/12/16/08/1131121608.db2.gz GLBHQISGHLQVFV-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO C[N@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641529 1131123967 /nfs/dbraw/zinc/12/39/67/1131123967.db2.gz SXRMXDHBQNCKDW-UHFFFAOYSA-N 1 1 284.334 3.544 20 30 CHEDMO C[N@@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237641529 1131123968 /nfs/dbraw/zinc/12/39/68/1131123968.db2.gz SXRMXDHBQNCKDW-UHFFFAOYSA-N 1 1 284.334 3.544 20 30 CHEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237667088 1131126358 /nfs/dbraw/zinc/12/63/58/1131126358.db2.gz OCPPURNOWFOQMT-UHFFFAOYSA-N 1 1 295.332 3.700 20 30 CHEDMO C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237753928 1131138829 /nfs/dbraw/zinc/13/88/29/1131138829.db2.gz UFKHEXQHZYARKD-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237754454 1131138997 /nfs/dbraw/zinc/13/89/97/1131138997.db2.gz VSHAYROUFCHQQI-UHFFFAOYSA-N 1 1 262.784 4.000 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1131685699 /nfs/dbraw/zinc/68/56/99/1131685699.db2.gz KTMAJGVDBLKNHD-DOMZBBRYSA-N 1 1 296.336 3.558 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107971 1131686160 /nfs/dbraw/zinc/68/61/60/1131686160.db2.gz MQFZZSBPLYLKTB-INIZCTEOSA-N 1 1 293.357 3.873 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC12CCCC2 ZINC001171210534 1131686975 /nfs/dbraw/zinc/68/69/75/1131686975.db2.gz UVWOMGNNTBEIBL-CQSZACIVSA-N 1 1 254.377 3.508 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC[C@H]1C ZINC001171221797 1131707521 /nfs/dbraw/zinc/70/75/21/1131707521.db2.gz VBEJPUTYOUICRN-CABCVRRESA-N 1 1 256.393 3.754 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)CCC2 ZINC001203030699 1131710113 /nfs/dbraw/zinc/71/01/13/1131710113.db2.gz OJRZZJCRXATWGH-UHFFFAOYSA-N 1 1 256.393 3.691 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCC2 ZINC001203030699 1131710117 /nfs/dbraw/zinc/71/01/17/1131710117.db2.gz OJRZZJCRXATWGH-UHFFFAOYSA-N 1 1 256.393 3.691 20 30 CHEDMO Cc1ccc2c(c1)CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171231897 1131713504 /nfs/dbraw/zinc/71/35/04/1131713504.db2.gz NHLGWNQOZVUOLZ-INIZCTEOSA-N 1 1 290.410 3.856 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccco1)C1CC1 ZINC001171230517 1131714864 /nfs/dbraw/zinc/71/48/64/1131714864.db2.gz VRBCNORSFNMKMD-AWEZNQCLSA-N 1 1 280.371 3.747 20 30 CHEDMO C=CC(C)(C)C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000834883331 1131717487 /nfs/dbraw/zinc/71/74/87/1131717487.db2.gz JESQMIAYISEJEI-ZDUSSCGKSA-N 1 1 251.345 3.784 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000847021985 1131772147 /nfs/dbraw/zinc/77/21/47/1131772147.db2.gz DQLAKCRFQSYIIF-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000847021985 1131772152 /nfs/dbraw/zinc/77/21/52/1131772152.db2.gz DQLAKCRFQSYIIF-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000847023760 1131773019 /nfs/dbraw/zinc/77/30/19/1131773019.db2.gz FMNGPHBROHSVFQ-QWHCGFSZSA-N 1 1 279.330 3.694 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)nc1 ZINC001140545431 1131786781 /nfs/dbraw/zinc/78/67/81/1131786781.db2.gz DOYBHSYJVBGWHU-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)nc1)C1CCC(C(C)(C)C)CC1 ZINC001140546197 1131786986 /nfs/dbraw/zinc/78/69/86/1131786986.db2.gz XXMMGHLJEKPQOQ-UHFFFAOYSA-N 1 1 285.435 3.990 20 30 CHEDMO Cc1cccc(C[N@@H+](Cc2ccc(C#N)nc2)C2CC2)c1C ZINC001140547011 1131788346 /nfs/dbraw/zinc/78/83/46/1131788346.db2.gz DWTYNHZDTIXBEI-UHFFFAOYSA-N 1 1 291.398 3.735 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)nc1)Cc1ccc2ccccc2c1 ZINC001140546524 1131788376 /nfs/dbraw/zinc/78/83/76/1131788376.db2.gz MRTAIZLYPYJGED-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CC[N@H+](Cc1c([O-])cc(F)cc1F)C1CCCCC1 ZINC001140585950 1131812239 /nfs/dbraw/zinc/81/22/39/1131812239.db2.gz XBWZDJCOWKEHLA-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO C=CC[C@H](CC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000798501493 1131837216 /nfs/dbraw/zinc/83/72/16/1131837216.db2.gz JWMIGZQHCRXQPX-VIFPVBQESA-N 1 1 257.736 3.629 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CCCC12CCOCC2 ZINC001307751908 1131900477 /nfs/dbraw/zinc/90/04/77/1131900477.db2.gz BQZMINRCGBTHAY-IBGZPJMESA-N 1 1 297.442 3.719 20 30 CHEDMO COc1ccc2oc([C@H](C)[NH2+]CC3(C#N)CC3)c(C)c2c1 ZINC000348177374 1131900818 /nfs/dbraw/zinc/90/08/18/1131900818.db2.gz YLFVBUKNAPMJEU-LBPRGKRZSA-N 1 1 284.359 3.704 20 30 CHEDMO C=CC(C=C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228546588 1131908104 /nfs/dbraw/zinc/90/81/04/1131908104.db2.gz XVDGQUQIPHCJOA-UHFFFAOYSA-N 1 1 296.208 3.630 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Br)ccn1)C(C)(C)C ZINC001140767313 1131911133 /nfs/dbraw/zinc/91/11/33/1131911133.db2.gz JSUSNPDHCIQQIP-UHFFFAOYSA-N 1 1 283.213 3.631 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000773004338 1131915936 /nfs/dbraw/zinc/91/59/36/1131915936.db2.gz KKOUMQNBRYPKLG-SECBINFHSA-N 1 1 279.689 3.988 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000773003290 1131916542 /nfs/dbraw/zinc/91/65/42/1131916542.db2.gz CNFVANGGNXJANK-NSHDSACASA-N 1 1 293.773 3.723 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000773005651 1131916738 /nfs/dbraw/zinc/91/67/38/1131916738.db2.gz SNQDQNYNFWTNKW-QMMMGPOBSA-N 1 1 279.689 3.830 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(Cl)c1 ZINC001140790727 1131920518 /nfs/dbraw/zinc/92/05/18/1131920518.db2.gz IUEZMZPNQOAUOR-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)[C@H]1C ZINC001140811398 1131932117 /nfs/dbraw/zinc/93/21/17/1131932117.db2.gz RSXHWULNFOPHBV-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1cccc(C[NH+]2CCC(C(F)F)CC2)c1Cl ZINC001140809999 1131932158 /nfs/dbraw/zinc/93/21/58/1131932158.db2.gz QGPCPEQQZWULPU-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1Cl ZINC001140809791 1131933159 /nfs/dbraw/zinc/93/31/59/1131933159.db2.gz HXOGDRFQVIBMIL-IUODEOHRSA-N 1 1 274.795 3.976 20 30 CHEDMO CCCCCC[N@H+](C)CC(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000836157391 1131944586 /nfs/dbraw/zinc/94/45/86/1131944586.db2.gz ZBBGGMYICPJEBR-WOVMCDHWSA-N 1 1 294.439 3.514 20 30 CHEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000836157391 1131944595 /nfs/dbraw/zinc/94/45/95/1131944595.db2.gz ZBBGGMYICPJEBR-WOVMCDHWSA-N 1 1 294.439 3.514 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(-c2ncccn2)c1 ZINC001140980612 1131977638 /nfs/dbraw/zinc/97/76/38/1131977638.db2.gz FLPBQSKQJSXJTL-UHFFFAOYSA-N 1 1 267.376 3.542 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2ccccn2)s1 ZINC001141000996 1131981298 /nfs/dbraw/zinc/98/12/98/1131981298.db2.gz SSQALONROTWXLR-UHFFFAOYSA-N 1 1 285.416 3.936 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)s1 ZINC001141000996 1131981301 /nfs/dbraw/zinc/98/13/01/1131981301.db2.gz SSQALONROTWXLR-UHFFFAOYSA-N 1 1 285.416 3.936 20 30 CHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1C(C)(C)C)C2 ZINC001228992277 1131993782 /nfs/dbraw/zinc/99/37/82/1131993782.db2.gz GZTKCLMNNWXJQR-ZSHCYNCHSA-N 1 1 298.430 3.860 20 30 CHEDMO N#Cc1c(N)sc(C[N@H+]2CCC3(CCCC3)C2)c1Cl ZINC001141111968 1132021848 /nfs/dbraw/zinc/02/18/48/1132021848.db2.gz KHXKHOICEMOJAF-UHFFFAOYSA-N 1 1 295.839 3.621 20 30 CHEDMO CC(C)(C)c1cc[nH+]c(NCCOc2ccc(C#N)cc2)c1 ZINC001171483923 1132036764 /nfs/dbraw/zinc/03/67/64/1132036764.db2.gz BMSWLFQBPHLBFZ-UHFFFAOYSA-N 1 1 295.386 3.742 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001171489313 1132038915 /nfs/dbraw/zinc/03/89/15/1132038915.db2.gz HDAWIBSTORNEIZ-GUYCJALGSA-N 1 1 257.352 3.548 20 30 CHEDMO C=CC[N@H+](Cc1cccc(OC)c1F)C(C)(C)C ZINC001141223469 1132043850 /nfs/dbraw/zinc/04/38/50/1132043850.db2.gz DQTXBSLNGIKXKS-UHFFFAOYSA-N 1 1 251.345 3.621 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544742 1132045431 /nfs/dbraw/zinc/04/54/31/1132045431.db2.gz YYCAKPHEFSLPPB-GFCCVEGCSA-N 1 1 283.337 3.859 20 30 CHEDMO CCc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001141228004 1132050013 /nfs/dbraw/zinc/05/00/13/1132050013.db2.gz XSHAOHDYDOTVBX-FFGGFLGDSA-N 1 1 254.377 3.516 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC001171571869 1132059271 /nfs/dbraw/zinc/05/92/71/1132059271.db2.gz CPCIQTDTHHHKPE-STQMWFEESA-N 1 1 292.220 3.855 20 30 CHEDMO C[N@H+]1CC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375252 1132059437 /nfs/dbraw/zinc/05/94/37/1132059437.db2.gz ZTTKWLAYJHMDKJ-KRWDZBQOSA-N 1 1 298.361 3.659 20 30 CHEDMO C[C@@H]1CC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290045 1132071702 /nfs/dbraw/zinc/07/17/02/1132071702.db2.gz ZAXCXOKPUBDWHB-CQSZACIVSA-N 1 1 278.355 3.945 20 30 CHEDMO CC[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287985 1132072779 /nfs/dbraw/zinc/07/27/79/1132072779.db2.gz YPAUKTDNDQSJQX-UHFFFAOYSA-N 1 1 266.344 3.802 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@H](C)CCc1ccc(C)cc1 ZINC001171673095 1132075718 /nfs/dbraw/zinc/07/57/18/1132075718.db2.gz FBCYJBRVQPLLGU-MRXNPFEDSA-N 1 1 258.409 3.942 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001171678872 1132077112 /nfs/dbraw/zinc/07/71/12/1132077112.db2.gz IBPDDDHJNHSAOD-IRXDYDNUSA-N 1 1 255.405 3.661 20 30 CHEDMO CCCCN(CCC#N)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171758626 1132090211 /nfs/dbraw/zinc/09/02/11/1132090211.db2.gz ZEFWHRAGUGEHOS-PKOBYXMFSA-N 1 1 299.462 3.665 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001171841754 1132106466 /nfs/dbraw/zinc/10/64/66/1132106466.db2.gz SEKCJVDTCOSTPF-GFCCVEGCSA-N 1 1 251.320 3.753 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C)c(Cl)n2)C1 ZINC001171847690 1132106555 /nfs/dbraw/zinc/10/65/55/1132106555.db2.gz PSUOGRHCKMHUKK-CYBMUJFWSA-N 1 1 264.800 3.832 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC001171848156 1132106576 /nfs/dbraw/zinc/10/65/76/1132106576.db2.gz ZUUHLCUXGWZRAT-GFCCVEGCSA-N 1 1 295.329 3.796 20 30 CHEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001171847516 1132106794 /nfs/dbraw/zinc/10/67/94/1132106794.db2.gz NRYFXUACHZEHCS-HKUYNNGSSA-N 1 1 284.447 3.549 20 30 CHEDMO CCCC[N@@H+](CCC#N)C1CCC(C)(C(=O)OCC)CC1 ZINC001171955293 1132111454 /nfs/dbraw/zinc/11/14/54/1132111454.db2.gz DMCNCRKJZSBQPL-UHFFFAOYSA-N 1 1 294.439 3.514 20 30 CHEDMO C=CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115629 /nfs/dbraw/zinc/11/56/29/1132115629.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115632 /nfs/dbraw/zinc/11/56/32/1132115632.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115634 /nfs/dbraw/zinc/11/56/34/1132115634.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115637 /nfs/dbraw/zinc/11/56/37/1132115637.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 1 1 272.436 3.547 20 30 CHEDMO CCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172105528 1132129990 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C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CCC#N)C1CCCC1 ZINC001172308822 1132154048 /nfs/dbraw/zinc/15/40/48/1132154048.db2.gz ZZKGTRIKAWBUNX-HNNXBMFYSA-N 1 1 281.403 3.648 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310849 1132154589 /nfs/dbraw/zinc/15/45/89/1132154589.db2.gz KDJPBHRRFLJSPE-RHSMWYFYSA-N 1 1 256.393 3.610 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172313257 1132155116 /nfs/dbraw/zinc/15/51/16/1132155116.db2.gz SPYZXIYLLDWNGG-YOEHRIQHSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC12CCCC2 ZINC001172316955 1132157549 /nfs/dbraw/zinc/15/75/49/1132157549.db2.gz YYIBSHMWQCCTPR-AWEZNQCLSA-N 1 1 254.377 3.508 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001172320070 1132158193 /nfs/dbraw/zinc/15/81/93/1132158193.db2.gz SUIAZAPQXRVTEB-OLMNPRSZSA-N 1 1 268.404 3.754 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172320055 1132158735 /nfs/dbraw/zinc/15/87/35/1132158735.db2.gz 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20 30 CHEDMO C=CCn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)cn1 ZINC001222379077 1135233456 /nfs/dbraw/zinc/23/34/56/1135233456.db2.gz PPBFTIJFUCTHNO-OAHLLOKOSA-N 1 1 296.418 3.506 20 30 CHEDMO C[N@H+]1CCC[C@@H](OCc2ccc(C#N)c3ccccc23)CC1 ZINC001224026208 1135411872 /nfs/dbraw/zinc/41/18/72/1135411872.db2.gz ZGOFQYDPTZURFI-QGZVFWFLSA-N 1 1 294.398 3.712 20 30 CHEDMO C=CCCCCO[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001224334828 1135440877 /nfs/dbraw/zinc/44/08/77/1135440877.db2.gz FYWHEYYXYPQFDB-MRXNPFEDSA-N 1 1 274.408 3.732 20 30 CHEDMO C=CCCCCO[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001224334851 1135441115 /nfs/dbraw/zinc/44/11/15/1135441115.db2.gz GQERFBBHUONABL-HZPDHXFCSA-N 1 1 274.408 3.590 20 30 CHEDMO C=CCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001224509508 1135455325 /nfs/dbraw/zinc/45/53/25/1135455325.db2.gz MZJHSPHORHKBDO-GBESFXJTSA-N 1 1 285.431 3.880 20 30 CHEDMO C=CCCCO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001224514469 1135455725 /nfs/dbraw/zinc/45/57/25/1135455725.db2.gz VMKSQQBLIGSYIM-SJLPKXTDSA-N 1 1 273.420 3.880 20 30 CHEDMO CCCCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224581135 1135460597 /nfs/dbraw/zinc/46/05/97/1135460597.db2.gz PJVMXEMXPHPSBE-PFJGLKMASA-N 1 1 295.467 3.756 20 30 CHEDMO CCCCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224581135 1135460599 /nfs/dbraw/zinc/46/05/99/1135460599.db2.gz PJVMXEMXPHPSBE-PFJGLKMASA-N 1 1 295.467 3.756 20 30 CHEDMO CCCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224579463 1135460663 /nfs/dbraw/zinc/46/06/63/1135460663.db2.gz CCWPPUOMZCPNOK-JQHSSLGASA-N 1 1 295.467 3.948 20 30 CHEDMO CCCCCCC[C@H](CC)OCCC[NH+]1CCOCC1 ZINC001224868558 1135490001 /nfs/dbraw/zinc/49/00/01/1135490001.db2.gz WHRVRJYXUKEOIH-KRWDZBQOSA-N 1 1 285.472 3.864 20 30 CHEDMO CC(C)[NH+]1CC(Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225331522 1135544775 /nfs/dbraw/zinc/54/47/75/1135544775.db2.gz AYNHHLMDGUYLEV-UHFFFAOYSA-N 1 1 292.382 3.697 20 30 CHEDMO N#Cc1ccc2cc(OC3CC[NH+](CCF)CC3)ccc2c1 ZINC001226812972 1135744219 /nfs/dbraw/zinc/74/42/19/1135744219.db2.gz HHROMORMRPWYMG-UHFFFAOYSA-N 1 1 298.361 3.524 20 30 CHEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226812636 1135744579 /nfs/dbraw/zinc/74/45/79/1135744579.db2.gz CENITPZMTJPJTM-GOSISDBHSA-N 1 1 280.371 3.573 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1cnccn1 ZINC000299268801 260178159 /nfs/dbraw/zinc/17/81/59/260178159.db2.gz LYAMQIZIVQVFAQ-CQSZACIVSA-N 1 1 259.397 3.606 20 30 CHEDMO C[N@H+](Cc1ccc(Br)cc1C#N)[C@H]1CC1(C)C ZINC000347167593 529982824 /nfs/dbraw/zinc/98/28/24/529982824.db2.gz VKILSZVDKISBKL-ZDUSSCGKSA-N 1 1 293.208 3.551 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@H]1CC1(C)C ZINC000347167593 529982826 /nfs/dbraw/zinc/98/28/26/529982826.db2.gz VKILSZVDKISBKL-ZDUSSCGKSA-N 1 1 293.208 3.551 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000108356518 186213798 /nfs/dbraw/zinc/21/37/98/186213798.db2.gz QQUPXDHOEASVOR-DOMZBBRYSA-N 1 1 267.800 3.660 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCC1(F)F ZINC000574368128 335013858 /nfs/dbraw/zinc/01/38/58/335013858.db2.gz CFICBSVMHBCAKD-GFCCVEGCSA-N 1 1 283.749 3.669 20 30 CHEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCC1(F)F ZINC000574368128 335013856 /nfs/dbraw/zinc/01/38/56/335013856.db2.gz CFICBSVMHBCAKD-GFCCVEGCSA-N 1 1 283.749 3.669 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000576715669 335239284 /nfs/dbraw/zinc/23/92/84/335239284.db2.gz NNFGPWOTDHRWMC-UHFFFAOYSA-N 1 1 282.334 3.780 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCc2ccccc21 ZINC000171375654 335063760 /nfs/dbraw/zinc/06/37/60/335063760.db2.gz IIDHRNUEVIACRA-GOSISDBHSA-N 1 1 280.346 3.817 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCc2ccccc21 ZINC000171375654 335063761 /nfs/dbraw/zinc/06/37/61/335063761.db2.gz IIDHRNUEVIACRA-GOSISDBHSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H](C1CC1)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356064413 533370860 /nfs/dbraw/zinc/37/08/60/533370860.db2.gz NVNGTZAGDBXVIF-ZDUSSCGKSA-N 1 1 297.427 3.815 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356064413 533370865 /nfs/dbraw/zinc/37/08/65/533370865.db2.gz NVNGTZAGDBXVIF-ZDUSSCGKSA-N 1 1 297.427 3.815 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000347303863 533496571 /nfs/dbraw/zinc/49/65/71/533496571.db2.gz IYAGWEBRAOGHSK-SFHVURJKSA-N 1 1 292.382 3.904 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035163410 172024967 /nfs/dbraw/zinc/02/49/67/172024967.db2.gz FSIMXDFYCROOJS-GOEBONIOSA-N 1 1 254.377 3.570 20 30 CHEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000348006415 226395779 /nfs/dbraw/zinc/39/57/79/226395779.db2.gz NCIQAVNOTSBLCW-GFCCVEGCSA-N 1 1 254.333 3.696 20 30 CHEDMO Cc1ncsc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350627803 227044602 /nfs/dbraw/zinc/04/46/02/227044602.db2.gz GFJCECABPDJHAS-UHFFFAOYSA-N 1 1 299.443 3.981 20 30 CHEDMO N#Cc1csc(C[N@@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000356049511 228100436 /nfs/dbraw/zinc/10/04/36/228100436.db2.gz DPVCUUUGNZQPSW-UHFFFAOYSA-N 1 1 297.427 3.817 20 30 CHEDMO N#Cc1csc(C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000356049511 228100437 /nfs/dbraw/zinc/10/04/37/228100437.db2.gz DPVCUUUGNZQPSW-UHFFFAOYSA-N 1 1 297.427 3.817 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356111062 228125213 /nfs/dbraw/zinc/12/52/13/228125213.db2.gz BWTDISIGAGFMGW-QGZVFWFLSA-N 1 1 297.427 3.568 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356111062 228125216 /nfs/dbraw/zinc/12/52/16/228125216.db2.gz BWTDISIGAGFMGW-QGZVFWFLSA-N 1 1 297.427 3.568 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)c1C ZINC000356126352 228131209 /nfs/dbraw/zinc/13/12/09/228131209.db2.gz UKHYCVWLQHFCDR-INIZCTEOSA-N 1 1 297.427 3.969 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)c1C ZINC000356126352 228131212 /nfs/dbraw/zinc/13/12/12/228131212.db2.gz UKHYCVWLQHFCDR-INIZCTEOSA-N 1 1 297.427 3.969 20 30 CHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000336146692 228197515 /nfs/dbraw/zinc/19/75/15/228197515.db2.gz PILBDDHZGHACTI-KBXCAEBGSA-N 1 1 277.371 3.536 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000069168621 260148431 /nfs/dbraw/zinc/14/84/31/260148431.db2.gz GKSOMIMKZYJIBJ-CYBMUJFWSA-N 1 1 288.416 3.867 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000317376226 260205515 /nfs/dbraw/zinc/20/55/15/260205515.db2.gz KOCPJDGKUSSUKS-KRWDZBQOSA-N 1 1 299.418 3.541 20 30 CHEDMO CC(C)c1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000072589918 260277310 /nfs/dbraw/zinc/27/73/10/260277310.db2.gz XAFUXKFAYVAVMY-INIZCTEOSA-N 1 1 269.392 3.685 20 30 CHEDMO CC(C)c1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000072589918 260277311 /nfs/dbraw/zinc/27/73/11/260277311.db2.gz XAFUXKFAYVAVMY-INIZCTEOSA-N 1 1 269.392 3.685 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCSCC#N ZINC000074991186 260289270 /nfs/dbraw/zinc/28/92/70/260289270.db2.gz AZJNVXHZJFXSBN-UKRRQHHQSA-N 1 1 292.423 3.650 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCCC#N)C1 ZINC000075843312 260292081 /nfs/dbraw/zinc/29/20/81/260292081.db2.gz FVFPRDPJBJXYOU-CJNGLKHVSA-N 1 1 260.356 3.902 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000130445329 260396372 /nfs/dbraw/zinc/39/63/72/260396372.db2.gz ZJUYIMDENZGXFI-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2sccc2[C@@H]1C ZINC000130445329 260396374 /nfs/dbraw/zinc/39/63/74/260396374.db2.gz ZJUYIMDENZGXFI-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000181270288 260576495 /nfs/dbraw/zinc/57/64/95/260576495.db2.gz KZKUAKIIASVERD-UHFFFAOYSA-N 1 1 260.768 3.896 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)OC)o2)CCCC1(C)C ZINC000444787803 261179084 /nfs/dbraw/zinc/17/90/84/261179084.db2.gz SHRVMIOGSWFWGP-HNNXBMFYSA-N 1 1 291.391 3.633 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103138719 261274558 /nfs/dbraw/zinc/27/45/58/261274558.db2.gz LGADFJNKRZKTFF-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1ccccc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103138719 261274561 /nfs/dbraw/zinc/27/45/61/261274561.db2.gz LGADFJNKRZKTFF-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000491063965 261312154 /nfs/dbraw/zinc/31/21/54/261312154.db2.gz FLAPFBBZGPYOMA-YQQAZPJKSA-N 1 1 286.419 3.756 20 30 CHEDMO C[C@H](CNc1cccc(F)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301273000 261330947 /nfs/dbraw/zinc/33/09/47/261330947.db2.gz RFFIPVWSTLNGCE-CQSZACIVSA-N 1 1 297.377 3.630 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000177209257 261339721 /nfs/dbraw/zinc/33/97/21/261339721.db2.gz VHUFTNAYOUCWDK-JKSUJKDBSA-N 1 1 290.407 3.557 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc(C)c(Br)s1 ZINC000497147624 261566249 /nfs/dbraw/zinc/56/62/49/261566249.db2.gz OQDZRWVQRUCZKO-UHFFFAOYSA-N 1 1 274.227 3.827 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)CCCC(C)(C)C#N ZINC000174820974 261585085 /nfs/dbraw/zinc/58/50/85/261585085.db2.gz PZPQCGBCWFYIPX-UHFFFAOYSA-N 1 1 258.409 3.881 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000184085421 262008472 /nfs/dbraw/zinc/00/84/72/262008472.db2.gz NYRRMHRFTOXVAT-MRXNPFEDSA-N 1 1 265.360 3.530 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000184094230 262009266 /nfs/dbraw/zinc/00/92/66/262009266.db2.gz COZLGADAZYDXDI-NSHDSACASA-N 1 1 270.348 3.783 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(C)cs1 ZINC000184417745 262019186 /nfs/dbraw/zinc/01/91/86/262019186.db2.gz NCEFFCMFIBZIRM-AWEZNQCLSA-N 1 1 289.379 3.703 20 30 CHEDMO COc1cccc(Cl)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000118447454 262091153 /nfs/dbraw/zinc/09/11/53/262091153.db2.gz MOEXAMVYRGNMPQ-UHFFFAOYSA-N 1 1 286.762 3.510 20 30 CHEDMO Cc1occc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000186971266 262119044 /nfs/dbraw/zinc/11/90/44/262119044.db2.gz RUZMQJWQBJVRPT-GFCCVEGCSA-N 1 1 254.333 3.653 20 30 CHEDMO Cc1ccc2cc(C[N@H+](CCC#N)CC3CC3)ccc2n1 ZINC000187181599 262127289 /nfs/dbraw/zinc/12/72/89/262127289.db2.gz ZCRKEMWNDRTFTA-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO Cc1ccc2cc(C[N@@H+](CCC#N)CC3CC3)ccc2n1 ZINC000187181599 262127292 /nfs/dbraw/zinc/12/72/92/262127292.db2.gz ZCRKEMWNDRTFTA-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000120096393 262180491 /nfs/dbraw/zinc/18/04/91/262180491.db2.gz RPHGEPMEXJSESD-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000364316601 262199717 /nfs/dbraw/zinc/19/97/17/262199717.db2.gz BGTBYXTWXYUYAT-KRWDZBQOSA-N 1 1 286.419 3.698 20 30 CHEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCSCC#N ZINC000354827167 262299024 /nfs/dbraw/zinc/29/90/24/262299024.db2.gz GNLNBFZSUDDDFZ-STQMWFEESA-N 1 1 292.423 3.780 20 30 CHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337127635 262422841 /nfs/dbraw/zinc/42/28/41/262422841.db2.gz HALWUBHTLYZYHT-JKSUJKDBSA-N 1 1 292.467 3.986 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000271953797 263000617 /nfs/dbraw/zinc/00/06/17/263000617.db2.gz BPOJYCUJVGOADA-GDBMZVCRSA-N 1 1 256.393 3.804 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000271953800 263000740 /nfs/dbraw/zinc/00/07/40/263000740.db2.gz BPOJYCUJVGOADA-GOEBONIOSA-N 1 1 256.393 3.804 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271998967 263001012 /nfs/dbraw/zinc/00/10/12/263001012.db2.gz GWVIAJLGFYBKEF-ZDUSSCGKSA-N 1 1 260.356 3.555 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000353418003 263021985 /nfs/dbraw/zinc/02/19/85/263021985.db2.gz YGKHANOEVMHEAO-ZDUSSCGKSA-N 1 1 272.392 3.524 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000353418003 263021986 /nfs/dbraw/zinc/02/19/86/263021986.db2.gz YGKHANOEVMHEAO-ZDUSSCGKSA-N 1 1 272.392 3.524 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285365111 263092432 /nfs/dbraw/zinc/09/24/32/263092432.db2.gz FNEKHCAXJRVODJ-BRWVUGGUSA-N 1 1 254.377 3.558 20 30 CHEDMO CCc1ccc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000286500120 263098652 /nfs/dbraw/zinc/09/86/52/263098652.db2.gz PQWLANCQOPROKG-HKUYNNGSSA-N 1 1 295.430 3.872 20 30 CHEDMO CCc1ccc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000286500120 263098653 /nfs/dbraw/zinc/09/86/53/263098653.db2.gz PQWLANCQOPROKG-HKUYNNGSSA-N 1 1 295.430 3.872 20 30 CHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(C)(C)CCC#N)C2 ZINC000290366072 263116356 /nfs/dbraw/zinc/11/63/56/263116356.db2.gz AGJVPQBVXSWHMF-UHFFFAOYSA-N 1 1 298.430 3.872 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]2CCC[C@H]21 ZINC000293030049 263137351 /nfs/dbraw/zinc/13/73/51/263137351.db2.gz LEYBZOPTVPXAFR-SJORKVTESA-N 1 1 284.403 3.599 20 30 CHEDMO CCCN1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340448374 263154581 /nfs/dbraw/zinc/15/45/81/263154581.db2.gz RWFULVXUNSTOBF-LJQANCHMSA-N 1 1 299.462 3.886 20 30 CHEDMO N#CCCC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450572 263155126 /nfs/dbraw/zinc/15/51/26/263155126.db2.gz NNOGPOFNBACNFW-OTWHNJEPSA-N 1 1 297.446 3.638 20 30 CHEDMO N#CCCC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450572 263155127 /nfs/dbraw/zinc/15/51/27/263155127.db2.gz NNOGPOFNBACNFW-OTWHNJEPSA-N 1 1 297.446 3.638 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCCC#N ZINC000296584676 263193643 /nfs/dbraw/zinc/19/36/43/263193643.db2.gz FCLKGMWOFDWFNR-INMHGKMJSA-N 1 1 256.393 3.947 20 30 CHEDMO C[C@H](CCC#N)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000297811256 263210001 /nfs/dbraw/zinc/21/00/01/263210001.db2.gz IMMBUYLQGGBEDO-CYBMUJFWSA-N 1 1 258.340 3.607 20 30 CHEDMO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000299144605 263231968 /nfs/dbraw/zinc/23/19/68/263231968.db2.gz WOJOIPDVSNYPTO-CQSZACIVSA-N 1 1 280.371 3.926 20 30 CHEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC#N ZINC000299220096 263235819 /nfs/dbraw/zinc/23/58/19/263235819.db2.gz HRCIMIKJXNDNSP-GFCCVEGCSA-N 1 1 285.416 3.991 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000187690528 263265545 /nfs/dbraw/zinc/26/55/45/263265545.db2.gz AQHBHWBEMQRVEK-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000187690528 263265547 /nfs/dbraw/zinc/26/55/47/263265547.db2.gz AQHBHWBEMQRVEK-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000187711254 263267504 /nfs/dbraw/zinc/26/75/04/263267504.db2.gz BQLDFOUWNJYZJI-HNNXBMFYSA-N 1 1 293.414 3.817 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000121339431 263293077 /nfs/dbraw/zinc/29/30/77/263293077.db2.gz OYSOAEBEPCAOGD-CHWSQXEVSA-N 1 1 290.432 3.616 20 30 CHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000121499316 263294415 /nfs/dbraw/zinc/29/44/15/263294415.db2.gz ZGPRXCZDODIDBM-ZIAGYGMSSA-N 1 1 274.408 3.645 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000121499316 263294416 /nfs/dbraw/zinc/29/44/16/263294416.db2.gz ZGPRXCZDODIDBM-ZIAGYGMSSA-N 1 1 274.408 3.645 20 30 CHEDMO C=CCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342142320 263398747 /nfs/dbraw/zinc/39/87/47/263398747.db2.gz UONTVMJDZGMCQF-QGZVFWFLSA-N 1 1 257.377 3.533 20 30 CHEDMO N#CCC[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000441175348 263762448 /nfs/dbraw/zinc/76/24/48/263762448.db2.gz XGEOZOHQCIQJHU-WFTPILKQSA-N 1 1 254.377 3.858 20 30 CHEDMO N#CCC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000441175348 263762451 /nfs/dbraw/zinc/76/24/51/263762451.db2.gz XGEOZOHQCIQJHU-WFTPILKQSA-N 1 1 254.377 3.858 20 30 CHEDMO CC[C@@H]1C[C@H](C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CCO1 ZINC000425363105 264135757 /nfs/dbraw/zinc/13/57/57/264135757.db2.gz ASGVYNVJLQGRGW-QGPMSJSTSA-N 1 1 286.419 3.756 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000127407665 264256163 /nfs/dbraw/zinc/25/61/63/264256163.db2.gz CQVYUFLFFDFWQS-IBGZPJMESA-N 1 1 294.398 3.754 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cncs1 ZINC000161502699 264288213 /nfs/dbraw/zinc/28/82/13/264288213.db2.gz VFFUECWRQDNFCF-LBPRGKRZSA-N 1 1 274.389 3.559 20 30 CHEDMO C=CCCC[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000076736094 264342930 /nfs/dbraw/zinc/34/29/30/264342930.db2.gz VCIIUMSBVCMEPJ-UHFFFAOYSA-N 1 1 285.391 3.567 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1nc(CC)cc(=O)[nH]1)c1ccccc1 ZINC000180038959 264390290 /nfs/dbraw/zinc/39/02/90/264390290.db2.gz LJIQRWBXRKRNJO-INIZCTEOSA-N 1 1 297.402 3.542 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C)n1CCC)c1ccccc1 ZINC000180051555 264395141 /nfs/dbraw/zinc/39/51/41/264395141.db2.gz YJIYCRFEAPQQQK-QGZVFWFLSA-N 1 1 298.434 3.794 20 30 CHEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCSCC#N ZINC000514662662 266031856 /nfs/dbraw/zinc/03/18/56/266031856.db2.gz KXRAWCDYLIGBAR-KBPBESRZSA-N 1 1 268.470 3.780 20 30 CHEDMO N#CCC[N@@H+](CCc1ccc(F)cc1Cl)CC1CC1 ZINC000356188654 266066304 /nfs/dbraw/zinc/06/63/04/266066304.db2.gz DWKZNUQPQKRGCD-UHFFFAOYSA-N 1 1 280.774 3.647 20 30 CHEDMO N#CCC[N@H+](CCc1ccc(F)cc1Cl)CC1CC1 ZINC000356188654 266066307 /nfs/dbraw/zinc/06/63/07/266066307.db2.gz DWKZNUQPQKRGCD-UHFFFAOYSA-N 1 1 280.774 3.647 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000356225619 266077696 /nfs/dbraw/zinc/07/76/96/266077696.db2.gz VHYGBBDXFNBINR-MRXNPFEDSA-N 1 1 297.427 3.612 20 30 CHEDMO CCC1(CC)CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000356415181 266109780 /nfs/dbraw/zinc/10/97/80/266109780.db2.gz CYRMTKAUXAHINK-UHFFFAOYSA-N 1 1 277.437 3.807 20 30 CHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000356818533 266179551 /nfs/dbraw/zinc/17/95/51/266179551.db2.gz SOJDZHFFKZHUKY-INIZCTEOSA-N 1 1 286.419 3.571 20 30 CHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000356818533 266179552 /nfs/dbraw/zinc/17/95/52/266179552.db2.gz SOJDZHFFKZHUKY-INIZCTEOSA-N 1 1 286.419 3.571 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357011394 266232436 /nfs/dbraw/zinc/23/24/36/266232436.db2.gz NUQQFIYXSCCFAE-AWEZNQCLSA-N 1 1 284.403 3.579 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472863 266292254 /nfs/dbraw/zinc/29/22/54/266292254.db2.gz LUIRCNBGLPFQMM-HNNXBMFYSA-N 1 1 283.419 3.983 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000357533636 266316913 /nfs/dbraw/zinc/31/69/13/266316913.db2.gz XCRLRRUGTDADBE-UHFFFAOYSA-N 1 1 256.324 3.524 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000357554728 266323527 /nfs/dbraw/zinc/32/35/27/266323527.db2.gz SCDWUFBCAYBTCM-UHFFFAOYSA-N 1 1 294.398 3.811 20 30 CHEDMO COc1cccc2c(NCC3(CC#N)CC3)c(C)c[nH+]c12 ZINC000362363530 266968159 /nfs/dbraw/zinc/96/81/59/266968159.db2.gz CHWDKVJIBIGADU-UHFFFAOYSA-N 1 1 281.359 3.658 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)ccc1C#N ZINC000362935567 267063368 /nfs/dbraw/zinc/06/33/68/267063368.db2.gz QCVNRZDIIFMXKD-ZDUSSCGKSA-N 1 1 254.333 3.653 20 30 CHEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000362963925 267068456 /nfs/dbraw/zinc/06/84/56/267068456.db2.gz QKNIDFMOKSKYQO-UHFFFAOYSA-N 1 1 294.398 3.515 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000368223805 267153899 /nfs/dbraw/zinc/15/38/99/267153899.db2.gz BPVYEULFYFVYKH-IBGZPJMESA-N 1 1 298.430 3.786 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000368821092 267207397 /nfs/dbraw/zinc/20/73/97/267207397.db2.gz AMXUHZAOSLHKQM-MRXNPFEDSA-N 1 1 278.440 3.597 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369367742 267237644 /nfs/dbraw/zinc/23/76/44/267237644.db2.gz CGIYJNPHJBGEKY-DLBZAZTESA-N 1 1 292.467 3.845 20 30 CHEDMO CCCn1cc(C[N@@H+](CCC)Cc2ccc(C#N)cc2)cn1 ZINC000119261453 267313926 /nfs/dbraw/zinc/31/39/26/267313926.db2.gz JSNARIZZSRUQFH-UHFFFAOYSA-N 1 1 296.418 3.577 20 30 CHEDMO C=CC[N@@H+](CCc1csc(C)n1)CCc1ccccc1 ZINC000119597417 267346009 /nfs/dbraw/zinc/34/60/09/267346009.db2.gz TYHKRHMPRHWARX-UHFFFAOYSA-N 1 1 286.444 3.725 20 30 CHEDMO N#CCCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000370757210 267347091 /nfs/dbraw/zinc/34/70/91/267347091.db2.gz NBQBHNYPBZYPSV-OAHLLOKOSA-N 1 1 264.319 3.796 20 30 CHEDMO N#CCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000370757210 267347096 /nfs/dbraw/zinc/34/70/96/267347096.db2.gz NBQBHNYPBZYPSV-OAHLLOKOSA-N 1 1 264.319 3.796 20 30 CHEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000418133747 267359238 /nfs/dbraw/zinc/35/92/38/267359238.db2.gz NVXIWBQKGZPEFF-OAGGEKHMSA-N 1 1 286.419 3.845 20 30 CHEDMO CCc1oc2ccccc2c1C[NH2+]CC1(C#N)CCC1 ZINC000418143995 267364625 /nfs/dbraw/zinc/36/46/25/267364625.db2.gz RVIVFRKVNUOOLZ-UHFFFAOYSA-N 1 1 268.360 3.779 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCCF ZINC000377131318 268050680 /nfs/dbraw/zinc/05/06/80/268050680.db2.gz UIONNAHCKAVHEY-HOTGVXAUSA-N 1 1 260.356 3.508 20 30 CHEDMO CC[N@@H+](Cc1ccc(Br)cc1C#N)C1CCC1 ZINC000347054534 528769569 /nfs/dbraw/zinc/76/95/69/528769569.db2.gz MSFRYIXAFQEWEO-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000563364944 328059162 /nfs/dbraw/zinc/05/91/62/328059162.db2.gz RTNPNWLRMUSAIT-KRWDZBQOSA-N 1 1 296.801 3.576 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000563364944 328059163 /nfs/dbraw/zinc/05/91/63/328059163.db2.gz RTNPNWLRMUSAIT-KRWDZBQOSA-N 1 1 296.801 3.576 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1F)CC(C)(C)CCC#N ZINC000271046546 328194683 /nfs/dbraw/zinc/19/46/83/328194683.db2.gz RFMXMNUUZWEJIP-UHFFFAOYSA-N 1 1 266.335 3.727 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000276326309 328217625 /nfs/dbraw/zinc/21/76/25/328217625.db2.gz PZJGSOBZHJRBGY-LLVKDONJSA-N 1 1 286.297 3.709 20 30 CHEDMO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1O ZINC000296506193 328290998 /nfs/dbraw/zinc/29/09/98/328290998.db2.gz PHAJEAOISNRCLU-WHOFXGATSA-N 1 1 276.355 3.654 20 30 CHEDMO CCCC[N@@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000048993584 328328031 /nfs/dbraw/zinc/32/80/31/328328031.db2.gz RZELKIVGHUGMNU-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO C=CCCC[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000534914753 328368587 /nfs/dbraw/zinc/36/85/87/328368587.db2.gz DBKZNKKEDIOYGW-HNNXBMFYSA-N 1 1 261.409 3.772 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540927 328549875 /nfs/dbraw/zinc/54/98/75/328549875.db2.gz FDIGCDBXCHVSAU-YGRLFVJLSA-N 1 1 266.747 3.748 20 30 CHEDMO CC[N@H+](CCCC#N)Cc1cc(Br)ccc1F ZINC000063751678 329399463 /nfs/dbraw/zinc/39/94/63/329399463.db2.gz UBDDQCZPCFSMOO-UHFFFAOYSA-N 1 1 299.187 3.714 20 30 CHEDMO CC[N@@H+](CCCC#N)Cc1cc(Br)ccc1F ZINC000063751678 329399465 /nfs/dbraw/zinc/39/94/65/329399465.db2.gz UBDDQCZPCFSMOO-UHFFFAOYSA-N 1 1 299.187 3.714 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1F ZINC000557431842 327004986 /nfs/dbraw/zinc/00/49/86/327004986.db2.gz AONXBXFYSSJDSB-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000255755400 327013051 /nfs/dbraw/zinc/01/30/51/327013051.db2.gz MWECMQZZELDIHK-UTCJRWHESA-N 1 1 280.346 3.843 20 30 CHEDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000557704106 327021595 /nfs/dbraw/zinc/02/15/95/327021595.db2.gz IVUBMIAXBNLHSQ-MOPGFXCFSA-N 1 1 295.430 3.693 20 30 CHEDMO COc1ccccc1/C=C\C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000255868905 327022118 /nfs/dbraw/zinc/02/21/18/327022118.db2.gz NRXXFVKAAVAZFZ-ALCCZGGFSA-N 1 1 292.382 3.712 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000558150582 327076096 /nfs/dbraw/zinc/07/60/96/327076096.db2.gz OEEYGMMJIKLFPZ-SFHVURJKSA-N 1 1 294.373 3.881 20 30 CHEDMO CC[N@@H+](CCCSCC#N)Cc1ccc(Cl)s1 ZINC000074980675 327122471 /nfs/dbraw/zinc/12/24/71/327122471.db2.gz SNQIKKMNAVQHSZ-UHFFFAOYSA-N 1 1 288.869 3.870 20 30 CHEDMO C=CCC[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000558831908 327124022 /nfs/dbraw/zinc/12/40/22/327124022.db2.gz VJBUXXDIONPDQK-ZIAGYGMSSA-N 1 1 281.827 3.530 20 30 CHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000559049722 327139022 /nfs/dbraw/zinc/13/90/22/327139022.db2.gz VZHWZBXRGUTKFU-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO C=CCOCC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000559242648 327149394 /nfs/dbraw/zinc/14/93/94/327149394.db2.gz AIUFXKYHUJKAEG-RDJZCZTQSA-N 1 1 259.393 3.662 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088420218 327163627 /nfs/dbraw/zinc/16/36/27/327163627.db2.gz YIFRKMFALZEFOU-NSHDSACASA-N 1 1 262.319 3.591 20 30 CHEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)cc2ccccc21 ZINC000449341152 327164106 /nfs/dbraw/zinc/16/41/06/327164106.db2.gz SABNOSPPNFRVSO-UHFFFAOYSA-N 1 1 282.387 3.830 20 30 CHEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)cc2ccccc21 ZINC000449341152 327164107 /nfs/dbraw/zinc/16/41/07/327164107.db2.gz SABNOSPPNFRVSO-UHFFFAOYSA-N 1 1 282.387 3.830 20 30 CHEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000569468999 327182376 /nfs/dbraw/zinc/18/23/76/327182376.db2.gz KZKDJKAUXCVUIJ-STQMWFEESA-N 1 1 295.361 3.600 20 30 CHEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000569468999 327182378 /nfs/dbraw/zinc/18/23/78/327182378.db2.gz KZKDJKAUXCVUIJ-STQMWFEESA-N 1 1 295.361 3.600 20 30 CHEDMO CCC[C@]1(C)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410388114 327190861 /nfs/dbraw/zinc/19/08/61/327190861.db2.gz ADOLGIGBAQICFC-QGZVFWFLSA-N 1 1 292.467 3.989 20 30 CHEDMO C=CCCC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000559450114 327245582 /nfs/dbraw/zinc/24/55/82/327245582.db2.gz LZKHHBFXVQJGPC-UHFFFAOYSA-N 1 1 265.784 3.673 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000559479110 327248006 /nfs/dbraw/zinc/24/80/06/327248006.db2.gz AZIAEZYGFSOTMJ-OAHLLOKOSA-N 1 1 281.403 3.933 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000559479110 327248007 /nfs/dbraw/zinc/24/80/07/327248007.db2.gz AZIAEZYGFSOTMJ-OAHLLOKOSA-N 1 1 281.403 3.933 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000560171905 327288346 /nfs/dbraw/zinc/28/83/46/327288346.db2.gz FBEZIDLOYBOZMM-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000560171905 327288348 /nfs/dbraw/zinc/28/83/48/327288348.db2.gz FBEZIDLOYBOZMM-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000153002130 327307182 /nfs/dbraw/zinc/30/71/82/327307182.db2.gz ZSRCAPQERIANQH-CYBMUJFWSA-N 1 1 294.389 3.656 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000560677555 327335666 /nfs/dbraw/zinc/33/56/66/327335666.db2.gz YGULSOGLLXIHRE-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000560677555 327335667 /nfs/dbraw/zinc/33/56/67/327335667.db2.gz YGULSOGLLXIHRE-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO CC(C)C[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000560701012 327337644 /nfs/dbraw/zinc/33/76/44/327337644.db2.gz ZCBRFLQDEGMEAZ-INIZCTEOSA-N 1 1 285.435 3.505 20 30 CHEDMO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000574509270 327340188 /nfs/dbraw/zinc/34/01/88/327340188.db2.gz BQEILHKQDQVGRY-SFHVURJKSA-N 1 1 296.801 3.924 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000574509270 327340189 /nfs/dbraw/zinc/34/01/89/327340189.db2.gz BQEILHKQDQVGRY-SFHVURJKSA-N 1 1 296.801 3.924 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2ccccc2C#N)c1C ZINC000560885627 327349792 /nfs/dbraw/zinc/34/97/92/327349792.db2.gz XBKUPVUFKQCUMH-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2C#N)c1C ZINC000560885627 327349793 /nfs/dbraw/zinc/34/97/93/327349793.db2.gz XBKUPVUFKQCUMH-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO CSc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352869913 327365107 /nfs/dbraw/zinc/36/51/07/327365107.db2.gz IVNRQBOKXFPEAZ-SNVBAGLBSA-N 1 1 289.429 3.587 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000561333231 327386565 /nfs/dbraw/zinc/38/65/65/327386565.db2.gz ULUPGUHPEUGBTL-CRAIPNDOSA-N 1 1 273.420 3.977 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000175143921 329163230 /nfs/dbraw/zinc/16/32/30/329163230.db2.gz RBQLPVAIYRWZMZ-SFHVURJKSA-N 1 1 297.377 3.763 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000175143921 329163232 /nfs/dbraw/zinc/16/32/32/329163232.db2.gz RBQLPVAIYRWZMZ-SFHVURJKSA-N 1 1 297.377 3.763 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174858371 329163982 /nfs/dbraw/zinc/16/39/82/329163982.db2.gz NZGSHYZQVUMVJT-AWEZNQCLSA-N 1 1 268.470 3.924 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176989689 329179759 /nfs/dbraw/zinc/17/97/59/329179759.db2.gz CXHPQBANALHASN-UHFFFAOYSA-N 1 1 292.448 3.858 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC000178670149 329202157 /nfs/dbraw/zinc/20/21/57/329202157.db2.gz WHRGIGXUHSVRBD-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC000178670149 329202159 /nfs/dbraw/zinc/20/21/59/329202159.db2.gz WHRGIGXUHSVRBD-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000181045363 329225494 /nfs/dbraw/zinc/22/54/94/329225494.db2.gz WFQQYUCGPCJSJC-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cn(C)nc1-c1cccs1 ZINC000183476475 329247889 /nfs/dbraw/zinc/24/78/89/329247889.db2.gz RXEFZUGRKRHFKZ-UHFFFAOYSA-N 1 1 275.421 3.547 20 30 CHEDMO CSC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000429288964 329250185 /nfs/dbraw/zinc/25/01/85/329250185.db2.gz BJZRXIYQSDGUIM-GFCCVEGCSA-N 1 1 294.851 3.787 20 30 CHEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000429288964 329250186 /nfs/dbraw/zinc/25/01/86/329250186.db2.gz BJZRXIYQSDGUIM-GFCCVEGCSA-N 1 1 294.851 3.787 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000584380078 329307380 /nfs/dbraw/zinc/30/73/80/329307380.db2.gz JIVVNWQAMZOERZ-JYJNAYRXSA-N 1 1 263.425 3.765 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC(C)(C)O1 ZINC000186791475 329348826 /nfs/dbraw/zinc/34/88/26/329348826.db2.gz NPUNCQBUWBNIIE-QGZVFWFLSA-N 1 1 284.403 3.504 20 30 CHEDMO CC1(C)C[N@@H+](CCCCC#N)CC[C@H]1C(F)(F)F ZINC000190210829 329393293 /nfs/dbraw/zinc/39/32/93/329393293.db2.gz UMFVKCNWIZSPIL-LLVKDONJSA-N 1 1 262.319 3.591 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCc2c1cccc2Br ZINC000233872768 329410718 /nfs/dbraw/zinc/41/07/18/329410718.db2.gz YPCMRYGQDLSVRV-HZMBPMFUSA-N 1 1 293.208 3.718 20 30 CHEDMO C=CC[N@@H+](Cc1nc(-c2cccs2)oc1C)C1CC1 ZINC000271484173 330080020 /nfs/dbraw/zinc/08/00/20/330080020.db2.gz SVMPPGUAVXUIAS-UHFFFAOYSA-N 1 1 274.389 3.862 20 30 CHEDMO C=CC[N@H+](Cc1nc(-c2cccs2)oc1C)C1CC1 ZINC000271484173 330080021 /nfs/dbraw/zinc/08/00/21/330080021.db2.gz SVMPPGUAVXUIAS-UHFFFAOYSA-N 1 1 274.389 3.862 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000271421583 330080029 /nfs/dbraw/zinc/08/00/29/330080029.db2.gz AOKMKRXREOZEAL-SECBINFHSA-N 1 1 291.725 3.700 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000274796253 330107590 /nfs/dbraw/zinc/10/75/90/330107590.db2.gz POBKGIGVUMPYTN-ZDUSSCGKSA-N 1 1 250.411 3.727 20 30 CHEDMO C=CCCN(C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000276149369 330112028 /nfs/dbraw/zinc/11/20/28/330112028.db2.gz ORVMPAVAMZOKSC-UHFFFAOYSA-N 1 1 288.435 3.567 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(Br)c(OC)s1 ZINC000276147799 330112135 /nfs/dbraw/zinc/11/21/35/330112135.db2.gz OLWYHWPNRHVSBS-UHFFFAOYSA-N 1 1 290.226 3.527 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000276349819 330112861 /nfs/dbraw/zinc/11/28/61/330112861.db2.gz DBYKIRYNJVSTCF-GFCCVEGCSA-N 1 1 289.354 3.753 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1c(C)noc1C)c1ccco1 ZINC000276477504 330113528 /nfs/dbraw/zinc/11/35/28/330113528.db2.gz RBACYZQXYLKLEZ-AWEZNQCLSA-N 1 1 260.337 3.682 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(Br)cc1)CC1CC1 ZINC000081044103 330160949 /nfs/dbraw/zinc/16/09/49/330160949.db2.gz RQTIITTVHISEQX-UHFFFAOYSA-N 1 1 293.208 3.575 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(Br)cc1)CC1CC1 ZINC000081044103 330160950 /nfs/dbraw/zinc/16/09/50/330160950.db2.gz RQTIITTVHISEQX-UHFFFAOYSA-N 1 1 293.208 3.575 20 30 CHEDMO CC[C@H](NCC1([NH3+])CCCCCC1)c1ccc(C#N)cc1 ZINC000423199888 330176488 /nfs/dbraw/zinc/17/64/88/330176488.db2.gz LEWCKMRXXRQEHR-KRWDZBQOSA-N 1 1 285.435 3.651 20 30 CHEDMO C=C(C)COc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)ccc1OC ZINC000527238762 330240622 /nfs/dbraw/zinc/24/06/22/330240622.db2.gz PLEQOSYGLLJWHR-OKILXGFUSA-N 1 1 275.392 3.633 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)C(C)(C)CC)cc1OC ZINC000527241080 330241291 /nfs/dbraw/zinc/24/12/91/330241291.db2.gz GAXLJWCIYSGLIY-UHFFFAOYSA-N 1 1 277.408 3.880 20 30 CHEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccn1 ZINC000527531614 330258436 /nfs/dbraw/zinc/25/84/36/330258436.db2.gz ALFXGEGMBSYZOL-UHFFFAOYSA-N 1 1 279.387 3.672 20 30 CHEDMO Cc1cccc([C@H]([NH2+]Cc2nc(C#N)cs2)C(C)C)c1 ZINC000527806555 330284391 /nfs/dbraw/zinc/28/43/91/330284391.db2.gz GGNSTPPIPZLGGS-MRXNPFEDSA-N 1 1 285.416 3.810 20 30 CHEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000528775787 330292738 /nfs/dbraw/zinc/29/27/38/330292738.db2.gz ZHKDLNDYGZAUCJ-ZDUSSCGKSA-N 1 1 270.367 3.970 20 30 CHEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]ccc2ccccc21 ZINC000527999690 330299703 /nfs/dbraw/zinc/29/97/03/330299703.db2.gz YHADCAYNUHIVGD-GDBMZVCRSA-N 1 1 268.360 3.628 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC000105496345 330326731 /nfs/dbraw/zinc/32/67/31/330326731.db2.gz KDBSLOFAMZLGLK-UHFFFAOYSA-N 1 1 289.325 3.819 20 30 CHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000044352378 330329293 /nfs/dbraw/zinc/32/92/93/330329293.db2.gz BIGMQFOPGSHOLV-GOSISDBHSA-N 1 1 284.403 3.592 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](CC(C)C)c2ccccc2C)nn1 ZINC000424292393 330335109 /nfs/dbraw/zinc/33/51/09/330335109.db2.gz GURNJLHNFDWHOV-GOSISDBHSA-N 1 1 298.434 3.650 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000533301547 330356719 /nfs/dbraw/zinc/35/67/19/330356719.db2.gz WHLCHXAEPOGAQU-GFCCVEGCSA-N 1 1 280.799 3.565 20 30 CHEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000055024104 330361014 /nfs/dbraw/zinc/36/10/14/330361014.db2.gz VUMWVZHVQJJZPG-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000119302643 330372507 /nfs/dbraw/zinc/37/25/07/330372507.db2.gz GFDZBQSDSUDSCS-MRXNPFEDSA-N 1 1 280.346 3.687 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000536995585 330375301 /nfs/dbraw/zinc/37/53/01/330375301.db2.gz VAZYIRCJQCYDCP-PBHICJAKSA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCCC[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000536995738 330375334 /nfs/dbraw/zinc/37/53/34/330375334.db2.gz GBUWSGMCJDHFQV-ZACQAIPSSA-N 1 1 264.457 3.678 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000119816409 330380097 /nfs/dbraw/zinc/38/00/97/330380097.db2.gz SMTCUVMFNAUGPO-UHFFFAOYSA-N 1 1 260.356 3.850 20 30 CHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccs1 ZINC000428349395 330521083 /nfs/dbraw/zinc/52/10/83/330521083.db2.gz VOLCDSJVCPKYCD-JTQLQIEISA-N 1 1 260.337 3.610 20 30 CHEDMO C=C(C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1ccccc1 ZINC000446826336 330855268 /nfs/dbraw/zinc/85/52/68/330855268.db2.gz IGTSZQCUZGBMIE-GOSISDBHSA-N 1 1 289.382 3.802 20 30 CHEDMO C[C@H]1C[C@@]1([NH2+]CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000450929265 331007649 /nfs/dbraw/zinc/00/76/49/331007649.db2.gz UCJPVQIWNATEBG-LRDDRELGSA-N 1 1 274.795 3.859 20 30 CHEDMO CC[C@H](c1ccccc1OC)[N@H+](C)CC1(C#N)CCC1 ZINC000451030158 331012576 /nfs/dbraw/zinc/01/25/76/331012576.db2.gz MWLQOYMIAHNALG-OAHLLOKOSA-N 1 1 272.392 3.772 20 30 CHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC1(C#N)CCC1 ZINC000451030158 331012577 /nfs/dbraw/zinc/01/25/77/331012577.db2.gz MWLQOYMIAHNALG-OAHLLOKOSA-N 1 1 272.392 3.772 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC1(C#N)CC1 ZINC000451194545 331019901 /nfs/dbraw/zinc/01/99/01/331019901.db2.gz ZCWZKLAVZGPJNF-IIAWOOMASA-N 1 1 254.377 3.557 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC1(C#N)CC1 ZINC000451194544 331019984 /nfs/dbraw/zinc/01/99/84/331019984.db2.gz ZCWZKLAVZGPJNF-FMKPAKJESA-N 1 1 254.377 3.557 20 30 CHEDMO C=CCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451289144 331023377 /nfs/dbraw/zinc/02/33/77/331023377.db2.gz WRRGKSSCLJQITF-ZWKOTPCHSA-N 1 1 291.410 3.533 20 30 CHEDMO CO[C@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C12CCC2 ZINC000451865356 331045417 /nfs/dbraw/zinc/04/54/17/331045417.db2.gz KFGLUYJAPOLZJP-CABCVRRESA-N 1 1 278.440 3.596 20 30 CHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000451950827 331048065 /nfs/dbraw/zinc/04/80/65/331048065.db2.gz AGQPTAVVWDUTDO-JKSUJKDBSA-N 1 1 278.440 3.597 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451962040 331048411 /nfs/dbraw/zinc/04/84/11/331048411.db2.gz FHMGGRGEUYVRPK-WMLDXEAASA-N 1 1 286.444 3.838 20 30 CHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000452068660 331052663 /nfs/dbraw/zinc/05/26/63/331052663.db2.gz CLBOCMKLCVFVEI-INIZCTEOSA-N 1 1 292.467 3.845 20 30 CHEDMO C=CCCCC[C@@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453298006 331112714 /nfs/dbraw/zinc/11/27/14/331112714.db2.gz ZTLVOSAODBTXBQ-HZPDHXFCSA-N 1 1 294.483 3.735 20 30 CHEDMO CC[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)cc1 ZINC000453359519 331122128 /nfs/dbraw/zinc/12/21/28/331122128.db2.gz OWGRIRCXZFLVSI-INIZCTEOSA-N 1 1 281.359 3.665 20 30 CHEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)oc1C ZINC000453365086 331123204 /nfs/dbraw/zinc/12/32/04/331123204.db2.gz CQXJLGLLJYNODB-LLVKDONJSA-N 1 1 272.323 3.758 20 30 CHEDMO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000453384456 331126299 /nfs/dbraw/zinc/12/62/99/331126299.db2.gz MZULSFWFPNLFQN-LLVKDONJSA-N 1 1 272.323 3.704 20 30 CHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000459297669 331275088 /nfs/dbraw/zinc/27/50/88/331275088.db2.gz RPZYVBLGKQXKNB-XJKSGUPXSA-N 1 1 299.374 3.621 20 30 CHEDMO N#CCC[N@H+](CCc1cccc(Cl)c1)CC1CC1 ZINC000459340078 331276943 /nfs/dbraw/zinc/27/69/43/331276943.db2.gz ORMCXRHJWBIRIW-UHFFFAOYSA-N 1 1 262.784 3.508 20 30 CHEDMO N#CCCC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459587587 331289481 /nfs/dbraw/zinc/28/94/81/331289481.db2.gz WLPTZFRTBSJPQU-MRXNPFEDSA-N 1 1 254.377 3.907 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+]Cc1ccc2cncn2c1 ZINC000459659153 331292664 /nfs/dbraw/zinc/29/26/64/331292664.db2.gz LXXIOJDLJJQPEJ-HNNXBMFYSA-N 1 1 257.381 3.559 20 30 CHEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000166724933 331307608 /nfs/dbraw/zinc/30/76/08/331307608.db2.gz XSNJJZJFPYZTRI-UPJWGTAASA-N 1 1 260.356 3.564 20 30 CHEDMO CC#CCC[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000462329694 331319969 /nfs/dbraw/zinc/31/99/69/331319969.db2.gz YVDJDELNWBFKBP-IEBWSBKVSA-N 1 1 284.447 3.557 20 30 CHEDMO CC#CCCN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462329694 331319970 /nfs/dbraw/zinc/31/99/70/331319970.db2.gz YVDJDELNWBFKBP-IEBWSBKVSA-N 1 1 284.447 3.557 20 30 CHEDMO CC#CCCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462329694 331319971 /nfs/dbraw/zinc/31/99/71/331319971.db2.gz YVDJDELNWBFKBP-IEBWSBKVSA-N 1 1 284.447 3.557 20 30 CHEDMO CC(C)c1ccc(CC2CC[NH+](CCC#N)CC2)cc1 ZINC000462463809 331322309 /nfs/dbraw/zinc/32/23/09/331322309.db2.gz MIUMJSDLGKCAJI-UHFFFAOYSA-N 1 1 270.420 3.978 20 30 CHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000463216676 331342552 /nfs/dbraw/zinc/34/25/52/331342552.db2.gz WGZUWGNXYVKUFT-TWMKSMIVSA-N 1 1 265.441 3.604 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000464580714 331363129 /nfs/dbraw/zinc/36/31/29/331363129.db2.gz LFPNXFLRFMZGEH-UHFFFAOYSA-N 1 1 274.433 3.666 20 30 CHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000464887502 331372810 /nfs/dbraw/zinc/37/28/10/331372810.db2.gz NHRYWWOPIRARRB-GASCZTMLSA-N 1 1 293.332 3.789 20 30 CHEDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)sc1C ZINC000488106777 331990145 /nfs/dbraw/zinc/99/01/45/331990145.db2.gz FMRKUNJJQDBFED-UHFFFAOYSA-N 1 1 299.443 3.965 20 30 CHEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(C#N)c1 ZINC000488472540 332012509 /nfs/dbraw/zinc/01/25/09/332012509.db2.gz YUYNMLCVIARWSF-ZDUSSCGKSA-N 1 1 295.342 3.659 20 30 CHEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(C#N)c1 ZINC000488472540 332012510 /nfs/dbraw/zinc/01/25/10/332012510.db2.gz YUYNMLCVIARWSF-ZDUSSCGKSA-N 1 1 295.342 3.659 20 30 CHEDMO COCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CCC[C@H]1C ZINC000488974985 332036148 /nfs/dbraw/zinc/03/61/48/332036148.db2.gz HBDVTGBUNDCGEK-KDOFPFPSSA-N 1 1 286.419 3.504 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@@H]2CCO[C@H](C)C2)CCCC1(C)C ZINC000489013156 332037774 /nfs/dbraw/zinc/03/77/74/332037774.db2.gz MAGZJCDOKSQCSU-OAGGEKHMSA-N 1 1 265.441 3.868 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@@H]2CCO[C@@H](C)C2)CCCC1(C)C ZINC000489013160 332037839 /nfs/dbraw/zinc/03/78/39/332037839.db2.gz MAGZJCDOKSQCSU-XHSDSOJGSA-N 1 1 265.441 3.868 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000489408168 332050422 /nfs/dbraw/zinc/05/04/22/332050422.db2.gz QSRDNJYVLLDUFW-HNNXBMFYSA-N 1 1 274.408 3.799 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000489421493 332051149 /nfs/dbraw/zinc/05/11/49/332051149.db2.gz CKVIRZUZVQAVIQ-OAHLLOKOSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000489421493 332051151 /nfs/dbraw/zinc/05/11/51/332051151.db2.gz CKVIRZUZVQAVIQ-OAHLLOKOSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CCCOCc1ccccc1 ZINC000489450486 332053572 /nfs/dbraw/zinc/05/35/72/332053572.db2.gz RBMGNDYDFABXLJ-KRWDZBQOSA-N 1 1 259.393 3.634 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000489464031 332054108 /nfs/dbraw/zinc/05/41/08/332054108.db2.gz NYGCRRPPACSKIO-AWEZNQCLSA-N 1 1 292.810 3.627 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000489464031 332054109 /nfs/dbraw/zinc/05/41/09/332054109.db2.gz NYGCRRPPACSKIO-AWEZNQCLSA-N 1 1 292.810 3.627 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000489466793 332054142 /nfs/dbraw/zinc/05/41/42/332054142.db2.gz ZBDIUUNYSBAZLW-GFCCVEGCSA-N 1 1 280.755 3.789 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000489466793 332054143 /nfs/dbraw/zinc/05/41/43/332054143.db2.gz ZBDIUUNYSBAZLW-GFCCVEGCSA-N 1 1 280.755 3.789 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1cccc(F)c1F ZINC000489463591 332054335 /nfs/dbraw/zinc/05/43/35/332054335.db2.gz NBFGPDSFBOYVBU-CYBMUJFWSA-N 1 1 251.320 3.548 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000489473229 332054948 /nfs/dbraw/zinc/05/49/48/332054948.db2.gz JDZKXPTUICTDDU-MRXNPFEDSA-N 1 1 297.402 3.710 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000489503654 332057275 /nfs/dbraw/zinc/05/72/75/332057275.db2.gz ZAUBUGFFANDMKE-HNNXBMFYSA-N 1 1 268.360 3.882 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000489503654 332057277 /nfs/dbraw/zinc/05/72/77/332057277.db2.gz ZAUBUGFFANDMKE-HNNXBMFYSA-N 1 1 268.360 3.882 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000489506538 332057319 /nfs/dbraw/zinc/05/73/19/332057319.db2.gz HMFJJAYKNWOAAW-CQSZACIVSA-N 1 1 275.783 3.528 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000489506538 332057320 /nfs/dbraw/zinc/05/73/20/332057320.db2.gz HMFJJAYKNWOAAW-CQSZACIVSA-N 1 1 275.783 3.528 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1C#N)CC1CCCCC1 ZINC000489596237 332060845 /nfs/dbraw/zinc/06/08/45/332060845.db2.gz LPXSCUGWNGYRGP-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C=C(C)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490041165 332078193 /nfs/dbraw/zinc/07/81/93/332078193.db2.gz MBOUWZZNPSWCGO-HNNXBMFYSA-N 1 1 274.408 3.610 20 30 CHEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000490403890 332088622 /nfs/dbraw/zinc/08/86/22/332088622.db2.gz QIXXGFFFGSNMOG-PSBWJHGTSA-N 1 1 298.430 3.573 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(O)c1OC ZINC000490537405 332090574 /nfs/dbraw/zinc/09/05/74/332090574.db2.gz CKIWLUHKNMZEJN-UHFFFAOYSA-N 1 1 263.381 3.579 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)c(F)c1 ZINC000491307885 332186978 /nfs/dbraw/zinc/18/69/78/332186978.db2.gz RSVRFLWGUWHHDB-UHFFFAOYSA-N 1 1 277.314 3.789 20 30 CHEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000575326290 335094174 /nfs/dbraw/zinc/09/41/74/335094174.db2.gz MPFMCZCHINPMIV-CQSZACIVSA-N 1 1 295.386 3.591 20 30 CHEDMO C=CCCC[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000172173489 335096486 /nfs/dbraw/zinc/09/64/86/335096486.db2.gz LCIDZMLNNHGODI-UHFFFAOYSA-N 1 1 274.408 3.612 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1sccc1C)c1ccc(F)cc1 ZINC000491810414 332362899 /nfs/dbraw/zinc/36/28/99/332362899.db2.gz ZLTPFFWPROMMJD-CQSZACIVSA-N 1 1 259.349 3.660 20 30 CHEDMO CC[C@@H](C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000513750714 333037507 /nfs/dbraw/zinc/03/75/07/333037507.db2.gz NLCRDQFIFMPTJA-INIZCTEOSA-N 1 1 256.393 3.806 20 30 CHEDMO CC[C@H](C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000513750715 333037638 /nfs/dbraw/zinc/03/76/38/333037638.db2.gz NLCRDQFIFMPTJA-MRXNPFEDSA-N 1 1 256.393 3.806 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000521222519 333115593 /nfs/dbraw/zinc/11/55/93/333115593.db2.gz FNMHPGCIISACHE-UHFFFAOYSA-N 1 1 264.372 3.889 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000218075151 333126437 /nfs/dbraw/zinc/12/64/37/333126437.db2.gz BXRYDCGGGZBEQO-LLVKDONJSA-N 1 1 299.340 3.719 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)CC1CCC(C(F)(F)F)CC1 ZINC000185499441 333142133 /nfs/dbraw/zinc/14/21/33/333142133.db2.gz QXODNCXVOGVAQW-HIFPTAJRSA-N 1 1 276.346 3.837 20 30 CHEDMO N#CCC[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000185604474 333144665 /nfs/dbraw/zinc/14/46/65/333144665.db2.gz KURMWFUYBNDTRR-KRWDZBQOSA-N 1 1 284.334 3.666 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)s1 ZINC000189189281 333184020 /nfs/dbraw/zinc/18/40/20/333184020.db2.gz ILOGXYJZFUMJAG-UHFFFAOYSA-N 1 1 280.755 3.702 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000521894587 333196451 /nfs/dbraw/zinc/19/64/51/333196451.db2.gz UAVCPUXAJAXMCX-BEFAXECRSA-N 1 1 291.398 3.579 20 30 CHEDMO C=CCCC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189949284 333200935 /nfs/dbraw/zinc/20/09/35/333200935.db2.gz SKJPTEPPOXYESW-IRXDYDNUSA-N 1 1 286.463 3.699 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC000192112674 333229809 /nfs/dbraw/zinc/22/98/09/333229809.db2.gz JBHFEYZDXVNYRW-OAHLLOKOSA-N 1 1 261.434 3.502 20 30 CHEDMO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192923105 333240252 /nfs/dbraw/zinc/24/02/52/333240252.db2.gz RXFSAGIOLFGOGX-SCTDSRPQSA-N 1 1 286.463 3.699 20 30 CHEDMO CC[N@@H+](Cc1ccco1)[C@@H](C)c1ccc(C#N)cc1 ZINC000194986361 333280962 /nfs/dbraw/zinc/28/09/62/333280962.db2.gz GLFPZVVCZMWMOZ-ZDUSSCGKSA-N 1 1 254.333 3.734 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000522467195 333287542 /nfs/dbraw/zinc/28/75/42/333287542.db2.gz ATVPMKVGWZDQRN-HNAYVOBHSA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cccc(C#N)c1 ZINC000523449703 333327603 /nfs/dbraw/zinc/32/76/03/333327603.db2.gz SWHCXAUPWOHLNK-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000523449703 333327605 /nfs/dbraw/zinc/32/76/05/333327605.db2.gz SWHCXAUPWOHLNK-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO COc1ccc(CC[N@@H+](CCCC#N)CC(C)(C)C)cc1 ZINC000523792468 333345711 /nfs/dbraw/zinc/34/57/11/333345711.db2.gz 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334160583 /nfs/dbraw/zinc/16/05/83/334160583.db2.gz YYCAUKAVFXCMCN-MNOVXSKESA-N 1 1 262.319 3.589 20 30 CHEDMO C=CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000548731650 334167576 /nfs/dbraw/zinc/16/75/76/334167576.db2.gz YGCWLSDZNMKQAM-IUODEOHRSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000548731650 334167577 /nfs/dbraw/zinc/16/75/77/334167577.db2.gz YGCWLSDZNMKQAM-IUODEOHRSA-N 1 1 265.784 3.678 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245416706 334191390 /nfs/dbraw/zinc/19/13/90/334191390.db2.gz FLAMCYHFTMJDKH-RDTXWAMCSA-N 1 1 262.356 3.751 20 30 CHEDMO C=CCOCC[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000549399110 334192184 /nfs/dbraw/zinc/19/21/84/334192184.db2.gz ZYNKFQKNDPRRSS-OAHLLOKOSA-N 1 1 277.408 3.671 20 30 CHEDMO COC1(CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000549464355 334194743 /nfs/dbraw/zinc/19/47/43/334194743.db2.gz WYDFWGIGSQXVQU-QZTJIDSGSA-N 1 1 298.430 3.717 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000081575071 334197631 /nfs/dbraw/zinc/19/76/31/334197631.db2.gz PTZXTCCCHHFNSD-ACJLOTCBSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000081575071 334197633 /nfs/dbraw/zinc/19/76/33/334197633.db2.gz PTZXTCCCHHFNSD-ACJLOTCBSA-N 1 1 280.346 3.890 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000549686487 334201872 /nfs/dbraw/zinc/20/18/72/334201872.db2.gz AHZGEGHBKLIDAS-CQSZACIVSA-N 1 1 295.224 3.947 20 30 CHEDMO CC#CC[N@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000550125922 334213691 /nfs/dbraw/zinc/21/36/91/334213691.db2.gz CMWRXXMWXFUTBG-UHFFFAOYSA-N 1 1 299.805 3.561 20 30 CHEDMO CC#CC[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000550125922 334213692 /nfs/dbraw/zinc/21/36/92/334213692.db2.gz CMWRXXMWXFUTBG-UHFFFAOYSA-N 1 1 299.805 3.561 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H]1c1ccccc1 ZINC000245713147 334214468 /nfs/dbraw/zinc/21/44/68/334214468.db2.gz GKGRSPJBXLNEKI-MLGOLLRUSA-N 1 1 268.385 3.813 20 30 CHEDMO Fc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000550210673 334215903 /nfs/dbraw/zinc/21/59/03/334215903.db2.gz MABLCSASJDZQEZ-QGZVFWFLSA-N 1 1 279.358 3.667 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)s1 ZINC000245741660 334216418 /nfs/dbraw/zinc/21/64/18/334216418.db2.gz LXUILEHTIXEJDB-LALPHHSUSA-N 1 1 260.406 3.773 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000550422165 334222287 /nfs/dbraw/zinc/22/22/87/334222287.db2.gz FVCYBYDMCHBTLM-ZDUSSCGKSA-N 1 1 274.795 3.834 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000247385449 334279805 /nfs/dbraw/zinc/27/98/05/334279805.db2.gz IEQSIOFOOHFMPO-CVEARBPZSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000247385449 334279806 /nfs/dbraw/zinc/27/98/06/334279806.db2.gz IEQSIOFOOHFMPO-CVEARBPZSA-N 1 1 290.407 3.557 20 30 CHEDMO CC(C)[C@H](C[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000552084928 334287149 /nfs/dbraw/zinc/28/71/49/334287149.db2.gz GGXNJBJXLVUGKJ-INIZCTEOSA-N 1 1 258.409 3.908 20 30 CHEDMO C=CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248735311 334315365 /nfs/dbraw/zinc/31/53/65/334315365.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248735311 334315366 /nfs/dbraw/zinc/31/53/66/334315366.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000248735311 334315367 /nfs/dbraw/zinc/31/53/67/334315367.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000248735311 334315368 /nfs/dbraw/zinc/31/53/68/334315368.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 1 1 276.468 3.682 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000565943209 334610357 /nfs/dbraw/zinc/61/03/57/334610357.db2.gz JPZAQDAQRNRNKT-UHFFFAOYSA-N 1 1 254.377 3.738 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000343538257 335208578 /nfs/dbraw/zinc/20/85/78/335208578.db2.gz TWTUZYUUKCQDLW-DLBZAZTESA-N 1 1 254.377 3.517 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000343538258 335208618 /nfs/dbraw/zinc/20/86/18/335208618.db2.gz TWTUZYUUKCQDLW-IAGOWNOFSA-N 1 1 254.377 3.517 20 30 CHEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000576685843 335234623 /nfs/dbraw/zinc/23/46/23/335234623.db2.gz BJWYOJCDAGVKJR-QJPTWQEYSA-N 1 1 274.330 3.589 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000577045454 335288966 /nfs/dbraw/zinc/28/89/66/335288966.db2.gz PJIVJATYOGYRGA-AWEZNQCLSA-N 1 1 295.224 3.947 20 30 CHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000176976609 335351126 /nfs/dbraw/zinc/35/11/26/335351126.db2.gz RBRQYWZSJIKDCG-JTQLQIEISA-N 1 1 290.363 3.618 20 30 CHEDMO C=CCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177644764 335376719 /nfs/dbraw/zinc/37/67/19/335376719.db2.gz DADSLIUJACHARS-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO CSc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352869912 335746995 /nfs/dbraw/zinc/74/69/95/335746995.db2.gz IVNRQBOKXFPEAZ-JTQLQIEISA-N 1 1 289.429 3.587 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OC)cc1 ZINC000181833606 335787291 /nfs/dbraw/zinc/78/72/91/335787291.db2.gz HVMUNPNEUAVWCW-SFHVURJKSA-N 1 1 298.361 3.947 20 30 CHEDMO C[C@@H]1Cc2[nH+]cn(CCCCC(C)(C)C#N)c2C[C@@H]1C ZINC000380688379 336017426 /nfs/dbraw/zinc/01/74/26/336017426.db2.gz DUIUXNIPCOBBND-KGLIPLIRSA-N 1 1 273.424 3.974 20 30 CHEDMO C[C@@H](c1ccccc1Br)[N@H+](C)CCCC#N ZINC000194975318 336041522 /nfs/dbraw/zinc/04/15/22/336041522.db2.gz QASCSZVJDSEWCE-NSHDSACASA-N 1 1 281.197 3.746 20 30 CHEDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCCC#N ZINC000194975318 336041523 /nfs/dbraw/zinc/04/15/23/336041523.db2.gz QASCSZVJDSEWCE-NSHDSACASA-N 1 1 281.197 3.746 20 30 CHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000384292803 336123344 /nfs/dbraw/zinc/12/33/44/336123344.db2.gz XVQGFNMWHIBERN-XHDPSFHLSA-N 1 1 262.784 3.832 20 30 CHEDMO Cc1noc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350629664 534353052 /nfs/dbraw/zinc/35/30/52/534353052.db2.gz QPBUXUFBJKIEDY-UHFFFAOYSA-N 1 1 297.402 3.821 20 30 CHEDMO CC(C)COC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000101596949 519757628 /nfs/dbraw/zinc/75/76/28/519757628.db2.gz OGYGMBDHMVXUIK-KRWDZBQOSA-N 1 1 298.386 3.655 20 30 CHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000276219766 520629965 /nfs/dbraw/zinc/62/99/65/520629965.db2.gz QGHDXOSELYLSNO-NSHDSACASA-N 1 1 288.338 3.783 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000276370344 521314652 /nfs/dbraw/zinc/31/46/52/521314652.db2.gz OFLAEZOSAGBNJZ-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO CC[N@@H+](Cc1cnc(C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299131581 521431673 /nfs/dbraw/zinc/43/16/73/521431673.db2.gz MCGJLXMOEKXWLZ-LBPRGKRZSA-N 1 1 285.416 3.906 20 30 CHEDMO CC[N@H+](Cc1nc(C)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000081666109 521448709 /nfs/dbraw/zinc/44/87/09/521448709.db2.gz IFYXYVVMBIFHFN-CYBMUJFWSA-N 1 1 285.416 3.906 20 30 CHEDMO CC[N@@H+](Cc1nc(C)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000081666109 521448713 /nfs/dbraw/zinc/44/87/13/521448713.db2.gz IFYXYVVMBIFHFN-CYBMUJFWSA-N 1 1 285.416 3.906 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1C ZINC000294994850 521682532 /nfs/dbraw/zinc/68/25/32/521682532.db2.gz YHWNUIQITRCKQF-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000278629092 522813271 /nfs/dbraw/zinc/81/32/71/522813271.db2.gz GSKPLBJBIUXAQE-LJQANCHMSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000278629092 522813278 /nfs/dbraw/zinc/81/32/78/522813278.db2.gz GSKPLBJBIUXAQE-LJQANCHMSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@@H](Nc1cc(C)cc[nH+]1)c1ccc(C#N)cc1 ZINC000278846042 522954404 /nfs/dbraw/zinc/95/44/04/522954404.db2.gz VDDNCHSLEHYDLB-OAHLLOKOSA-N 1 1 251.333 3.825 20 30 CHEDMO CSC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000292404403 525708064 /nfs/dbraw/zinc/70/80/64/525708064.db2.gz LOSMSVNSYKQDKR-HIFRSBDPSA-N 1 1 274.433 3.694 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000275027893 526066815 /nfs/dbraw/zinc/06/68/15/526066815.db2.gz RNFGYAQSVLUQNG-HNAYVOBHSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000275027893 526066819 /nfs/dbraw/zinc/06/68/19/526066819.db2.gz RNFGYAQSVLUQNG-HNAYVOBHSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364779460 526073979 /nfs/dbraw/zinc/07/39/79/526073979.db2.gz OBXYEWZAVMUQTQ-RDTXWAMCSA-N 1 1 284.403 3.510 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccsc2C1 ZINC000275554019 526074966 /nfs/dbraw/zinc/07/49/66/526074966.db2.gz GOMOZRICTXWFHN-GFCCVEGCSA-N 1 1 268.385 3.739 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000111239506 526077338 /nfs/dbraw/zinc/07/73/38/526077338.db2.gz CXSROIMWUPRXBF-LBPRGKRZSA-N 1 1 284.334 3.596 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000111239506 526077344 /nfs/dbraw/zinc/07/73/44/526077344.db2.gz CXSROIMWUPRXBF-LBPRGKRZSA-N 1 1 284.334 3.596 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)ccc1F ZINC000339381533 526550366 /nfs/dbraw/zinc/55/03/66/526550366.db2.gz XKFPPTBQKUPLHD-CQSZACIVSA-N 1 1 298.336 3.826 20 30 CHEDMO C=C(C)C[N@H+](CC/C=C/CC)Cc1ccc(CO)o1 ZINC000352816099 526551643 /nfs/dbraw/zinc/55/16/43/526551643.db2.gz OMADLUARHCDQGF-AATRIKPKSA-N 1 1 263.381 3.506 20 30 CHEDMO C=C1CC[NH+](Cc2ccc(OC)cc2Cl)CC1 ZINC000353305458 526904422 /nfs/dbraw/zinc/90/44/22/526904422.db2.gz CLMBSTMPTNFEDM-UHFFFAOYSA-N 1 1 251.757 3.501 20 30 CHEDMO C=CCCC[N@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000353700011 527191577 /nfs/dbraw/zinc/19/15/77/527191577.db2.gz UVKMFTFEKRAJLU-UHFFFAOYSA-N 1 1 292.452 3.621 20 30 CHEDMO CC1CCC([N@@H+](Cc2nc(C#N)cs2)C2CC2)CC1 ZINC000356062213 528193342 /nfs/dbraw/zinc/19/33/42/528193342.db2.gz KQQFGYKMQLSWDI-UHFFFAOYSA-N 1 1 275.421 3.558 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ZINC000522711938 1123719899 /nfs/dbraw/zinc/71/98/99/1123719899.db2.gz YACQYHPINXZJNM-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000042449611 1123785901 /nfs/dbraw/zinc/78/59/01/1123785901.db2.gz IUWZCICSBMCKCI-LLVKDONJSA-N 1 1 286.297 3.567 20 30 CHEDMO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000429707768 1124133707 /nfs/dbraw/zinc/13/37/07/1124133707.db2.gz HLKYEGFTDSTKOG-SWLSCSKDSA-N 1 1 262.784 3.854 20 30 CHEDMO N#CC1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447735759 1124516525 /nfs/dbraw/zinc/51/65/25/1124516525.db2.gz GXTKVAOFZYLTJM-UHFFFAOYSA-N 1 1 280.774 3.647 20 30 CHEDMO CCc1oc2ccccc2c1C[NH2+]CC(C)(C)C#N ZINC000168932632 1125355920 /nfs/dbraw/zinc/35/59/20/1125355920.db2.gz ASLXIDNTKVZUHM-UHFFFAOYSA-N 1 1 256.349 3.635 20 30 CHEDMO N#CCCCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000171030195 1125399456 /nfs/dbraw/zinc/39/94/56/1125399456.db2.gz JPVHNDGKFRDZIB-UHFFFAOYSA-N 1 1 258.340 3.609 20 30 CHEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCOC ZINC001253239768 1125416730 /nfs/dbraw/zinc/41/67/30/1125416730.db2.gz SAPMFTLWTLTNFD-QZTJIDSGSA-N 1 1 297.483 3.765 20 30 CHEDMO Cc1c2ccccc2sc1C[N@H+]1CC[C@H](C#N)C1 ZINC001138460193 1131508181 /nfs/dbraw/zinc/50/81/81/1131508181.db2.gz GDGXWZJDCPJTHV-GFCCVEGCSA-N 1 1 256.374 3.555 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC(=O)CC)cc1)C(C)(C)C ZINC001138967679 1131565973 /nfs/dbraw/zinc/56/59/73/1131565973.db2.gz ULODSSABZLPWSY-UHFFFAOYSA-N 1 1 275.392 3.789 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cccc(C)c12 ZINC001139197637 1131595189 /nfs/dbraw/zinc/59/51/89/1131595189.db2.gz TYIUNZQCHOHDCZ-UHFFFAOYSA-N 1 1 255.365 3.602 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cccc(C)c12 ZINC001139197637 1131595192 /nfs/dbraw/zinc/59/51/92/1131595192.db2.gz TYIUNZQCHOHDCZ-UHFFFAOYSA-N 1 1 255.365 3.602 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246564910 1131627596 /nfs/dbraw/zinc/62/75/96/1131627596.db2.gz ADCODTJUAVQFPK-OLZOCXBDSA-N 1 1 280.378 3.701 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(Cl)cnc1OC ZINC001139750360 1131634615 /nfs/dbraw/zinc/63/46/15/1131634615.db2.gz BULMTWOXGLMGBO-UHFFFAOYSA-N 1 1 268.788 3.532 20 30 CHEDMO C=CCc1cccc(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001231015997 1132242423 /nfs/dbraw/zinc/24/24/23/1132242423.db2.gz WDJHHEYGFNFJDQ-KRWDZBQOSA-N 1 1 259.393 3.667 20 30 CHEDMO C=CC[N@@H+](Cc1nc2c(s1)CCCC2)C(C)(C)C ZINC001231585662 1132316955 /nfs/dbraw/zinc/31/69/55/1132316955.db2.gz UFLCRJSWVJCUAC-UHFFFAOYSA-N 1 1 264.438 3.808 20 30 CHEDMO C#CC[NH+](CC#C)Cc1sc2scc(C)c2c1C ZINC001231833179 1132375149 /nfs/dbraw/zinc/37/51/49/1132375149.db2.gz VFXVVCBJZOYVDU-UHFFFAOYSA-N 1 1 273.426 3.648 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc(CF)n1 ZINC001232535205 1132483043 /nfs/dbraw/zinc/48/30/43/1132483043.db2.gz MXQSZJZBSJBHQE-UHFFFAOYSA-N 1 1 252.377 3.953 20 30 CHEDMO CC(C)C1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143173813 1132513070 /nfs/dbraw/zinc/51/30/70/1132513070.db2.gz FRSPKLYNTDQYSL-UHFFFAOYSA-N 1 1 278.346 3.704 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@](C)(CO)C1 ZINC001208120174 1133880776 /nfs/dbraw/zinc/88/07/76/1133880776.db2.gz MNWQHMXGXHPVSG-ZNFPLGDCSA-N 1 1 253.430 3.607 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](OCCC)C2)CC1 ZINC001208177484 1133899235 /nfs/dbraw/zinc/89/92/35/1133899235.db2.gz TXLPHGCGNRHFQV-IAGOWNOFSA-N 1 1 263.425 3.790 20 30 CHEDMO C=C(C)C[N@@H+](CC)CCCCCCNC(=O)OC(C)(C)C ZINC001209358856 1134007748 /nfs/dbraw/zinc/00/77/48/1134007748.db2.gz NCEXSHRDATYKTD-UHFFFAOYSA-N 1 1 298.471 3.970 20 30 CHEDMO C=CCCCCCC[N@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001209436553 1134020826 /nfs/dbraw/zinc/02/08/26/1134020826.db2.gz UTWJMQCFQIWGEL-UHFFFAOYSA-N 1 1 296.455 3.676 20 30 CHEDMO C=CCCCCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001209440801 1134021218 /nfs/dbraw/zinc/02/12/18/1134021218.db2.gz OQMDFHNMHYAWKV-INIZCTEOSA-N 1 1 251.414 3.625 20 30 CHEDMO CC(C)[N@@H+](CCCC#N)Cc1cccc(Cl)c1 ZINC000051906938 1125512705 /nfs/dbraw/zinc/51/27/05/1125512705.db2.gz DGTJNUGSRPUYQU-UHFFFAOYSA-N 1 1 250.773 3.854 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000294562603 1125515495 /nfs/dbraw/zinc/51/54/95/1125515495.db2.gz MTQYFDSDLLATOR-UHFFFAOYSA-N 1 1 256.374 3.560 20 30 CHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000135354470 1125524077 /nfs/dbraw/zinc/52/40/77/1125524077.db2.gz LODPBRBRYGHLKA-KBPBESRZSA-N 1 1 254.443 3.534 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135367287 1125525373 /nfs/dbraw/zinc/52/53/73/1125525373.db2.gz FABYJFKVFBETFD-QGZVFWFLSA-N 1 1 256.393 3.777 20 30 CHEDMO C[C@H](c1ccco1)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000119903579 1125540149 /nfs/dbraw/zinc/54/01/49/1125540149.db2.gz NHWWZKFIGJWXGZ-LLVKDONJSA-N 1 1 272.373 3.938 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000119903579 1125540152 /nfs/dbraw/zinc/54/01/52/1125540152.db2.gz NHWWZKFIGJWXGZ-LLVKDONJSA-N 1 1 272.373 3.938 20 30 CHEDMO C=C(Br)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000729682965 1125547115 /nfs/dbraw/zinc/54/71/15/1125547115.db2.gz ZXHPMFHSVPVKKL-UHFFFAOYSA-N 1 1 292.176 3.945 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093437822 1125569954 /nfs/dbraw/zinc/56/99/54/1125569954.db2.gz UVGYSEOGNRFSQF-SFHVURJKSA-N 1 1 280.371 3.705 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886055155 1125641831 /nfs/dbraw/zinc/64/18/31/1125641831.db2.gz SXPDUAUKOGPLNL-CRAIPNDOSA-N 1 1 298.430 3.657 20 30 CHEDMO Cc1coc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000886042145 1125639384 /nfs/dbraw/zinc/63/93/84/1125639384.db2.gz WSSFZSRGRONAMG-MRXNPFEDSA-N 1 1 254.333 3.723 20 30 CHEDMO COc1ccc([C@H]2CCCCC[N@@H+]2CCC#N)cc1 ZINC000052711741 1125649233 /nfs/dbraw/zinc/64/92/33/1125649233.db2.gz KISLIEDCCKTSJC-MRXNPFEDSA-N 1 1 258.365 3.526 20 30 CHEDMO COc1ccc([C@H]2CCCCC[N@H+]2CCC#N)cc1 ZINC000052711741 1125649241 /nfs/dbraw/zinc/64/92/41/1125649241.db2.gz KISLIEDCCKTSJC-MRXNPFEDSA-N 1 1 258.365 3.526 20 30 CHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000886358361 1125672424 /nfs/dbraw/zinc/67/24/24/1125672424.db2.gz TYCVIIQRPDYOQT-HUUCEWRRSA-N 1 1 280.371 3.748 20 30 CHEDMO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)N(C)Cc1ccccc1 ZINC000248756175 1125674504 /nfs/dbraw/zinc/67/45/04/1125674504.db2.gz GDZNIBWUCBHKQW-QRQLOZEOSA-N 1 1 299.462 3.569 20 30 CHEDMO CC[N@@H+](CCC#N)C[C@H](C)c1cccc(Br)c1 ZINC000127671048 1125698468 /nfs/dbraw/zinc/69/84/68/1125698468.db2.gz CPPVVBSKPBMHPH-LBPRGKRZSA-N 1 1 295.224 3.788 20 30 CHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614963372 1125700170 /nfs/dbraw/zinc/70/01/70/1125700170.db2.gz AZZWYGXAQALGLP-KBXCAEBGSA-N 1 1 268.404 3.862 20 30 CHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000614963372 1125700178 /nfs/dbraw/zinc/70/01/78/1125700178.db2.gz AZZWYGXAQALGLP-KBXCAEBGSA-N 1 1 268.404 3.862 20 30 CHEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000886776490 1125716700 /nfs/dbraw/zinc/71/67/00/1125716700.db2.gz ICRYUCDWJHPYAY-LBPRGKRZSA-N 1 1 297.801 3.943 20 30 CHEDMO C[N@H+](Cc1ccc2ccccc2c1)CC1(C#N)CC1 ZINC000258965325 1125729928 /nfs/dbraw/zinc/72/99/28/1125729928.db2.gz SHLJRPDPWQKHSU-UHFFFAOYSA-N 1 1 250.345 3.575 20 30 CHEDMO C[N@@H+](Cc1ccc2ccccc2c1)CC1(C#N)CC1 ZINC000258965325 1125729935 /nfs/dbraw/zinc/72/99/35/1125729935.db2.gz SHLJRPDPWQKHSU-UHFFFAOYSA-N 1 1 250.345 3.575 20 30 CHEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccn1 ZINC000090665160 1125744449 /nfs/dbraw/zinc/74/44/49/1125744449.db2.gz SIVYTLHAERNJOD-PBHICJAKSA-N 1 1 265.360 3.777 20 30 CHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192103731 1125751976 /nfs/dbraw/zinc/75/19/76/1125751976.db2.gz SSZPDPKPUUSNBM-GFCCVEGCSA-N 1 1 284.334 3.596 20 30 CHEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192109364 1125754989 /nfs/dbraw/zinc/75/49/89/1125754989.db2.gz NQTRMAANPYUTPK-OAHLLOKOSA-N 1 1 289.379 3.569 20 30 CHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](c2ccccc2)O1 ZINC000092486726 1125758752 /nfs/dbraw/zinc/75/87/52/1125758752.db2.gz PSGPCEWKHVFARL-DOTOQJQBSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192136321 1125759768 /nfs/dbraw/zinc/75/97/68/1125759768.db2.gz SCKYLJFXGDTSJZ-KRWDZBQOSA-N 1 1 283.350 3.675 20 30 CHEDMO Clc1ccc(C#CC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093221467 1125766758 /nfs/dbraw/zinc/76/67/58/1125766758.db2.gz KUYXVEXPFWALTC-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO Clc1ccc(C#CC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093221467 1125766764 /nfs/dbraw/zinc/76/67/64/1125766764.db2.gz KUYXVEXPFWALTC-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCCC#N)s1 ZINC000122077000 1125783277 /nfs/dbraw/zinc/78/32/77/1125783277.db2.gz FAFQRGMPYFXLPR-GFCCVEGCSA-N 1 1 265.426 3.701 20 30 CHEDMO CCCC[N@@H+](CC)Cc1cc(Cl)ccc1OCC#N ZINC000735308806 1129340386 /nfs/dbraw/zinc/34/03/86/1129340386.db2.gz UHMSLACLMTUFCR-UHFFFAOYSA-N 1 1 280.799 3.864 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000740877726 1129423303 /nfs/dbraw/zinc/42/33/03/1129423303.db2.gz XXSGIJCOXFWURI-QGZVFWFLSA-N 1 1 279.424 3.631 20 30 CHEDMO C=CC[N@H+](CCC(=O)C(C)(C)C)Cc1cccs1 ZINC000741155292 1129430458 /nfs/dbraw/zinc/43/04/58/1129430458.db2.gz AHGICKLNEHRFBQ-UHFFFAOYSA-N 1 1 265.422 3.741 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238700491 1131234599 /nfs/dbraw/zinc/23/45/99/1131234599.db2.gz CNHBTZNRHZAFIA-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238700491 1131234602 /nfs/dbraw/zinc/23/46/02/1131234602.db2.gz CNHBTZNRHZAFIA-CQSZACIVSA-N 1 1 290.382 3.739 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000103460848 1129764943 /nfs/dbraw/zinc/76/49/43/1129764943.db2.gz ASDLZIMGVATNAT-CYBMUJFWSA-N 1 1 274.408 3.732 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000766896236 1129769237 /nfs/dbraw/zinc/76/92/37/1129769237.db2.gz YGQHURZPXVNYDY-OAHLLOKOSA-N 1 1 292.220 3.999 20 30 CHEDMO CCCCCCCCC[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC000768992502 1129885150 /nfs/dbraw/zinc/88/51/50/1129885150.db2.gz QSOFPZCZBYGADC-UHFFFAOYSA-N 1 1 282.472 3.680 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000769464261 1129912190 /nfs/dbraw/zinc/91/21/90/1129912190.db2.gz YDESPDSNCMRZKH-OAHLLOKOSA-N 1 1 291.460 3.662 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(SCC(F)F)cc1 ZINC000903107073 1130113030 /nfs/dbraw/zinc/11/30/30/1130113030.db2.gz ZWRRKJJWIQIOCE-LLVKDONJSA-N 1 1 296.386 3.998 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(F)c2)no1 ZINC000899994491 1126721430 /nfs/dbraw/zinc/72/14/30/1126721430.db2.gz DNUBLOSOADZFOD-ZDUSSCGKSA-N 1 1 275.327 3.540 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2Cl)no1 ZINC000899992659 1126721648 /nfs/dbraw/zinc/72/16/48/1126721648.db2.gz CBPPSQJXKBGLTL-CYBMUJFWSA-N 1 1 291.782 3.670 20 30 CHEDMO CC(C)SCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000338280338 1126730287 /nfs/dbraw/zinc/73/02/87/1126730287.db2.gz MDRKGXQDUFZCSI-UHFFFAOYSA-N 1 1 286.444 3.789 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000138870280 1126747905 /nfs/dbraw/zinc/74/79/05/1126747905.db2.gz QBTBRRROUUTVQP-SFHVURJKSA-N 1 1 278.355 3.601 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-c2scnc2C)cc1 ZINC000668011013 1126752134 /nfs/dbraw/zinc/75/21/34/1126752134.db2.gz QGMPMBOZOSMSHN-UHFFFAOYSA-N 1 1 258.390 3.736 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000174078185 1126765628 /nfs/dbraw/zinc/76/56/28/1126765628.db2.gz OVYLMTKEEQWOHY-VXGBXAGGSA-N 1 1 285.416 3.989 20 30 CHEDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000160727170 1126766556 /nfs/dbraw/zinc/76/65/56/1126766556.db2.gz JXJZKHUEBJUKNZ-UHFFFAOYSA-N 1 1 290.288 3.608 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000160727170 1126766557 /nfs/dbraw/zinc/76/65/57/1126766557.db2.gz JXJZKHUEBJUKNZ-UHFFFAOYSA-N 1 1 290.288 3.608 20 30 CHEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000174215515 1126767463 /nfs/dbraw/zinc/76/74/63/1126767463.db2.gz MNECZVAKWWCPFQ-ZYSHUDEJSA-N 1 1 297.446 3.566 20 30 CHEDMO CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174275699 1126767930 /nfs/dbraw/zinc/76/79/30/1126767930.db2.gz JXHYPBXFYUXTPK-UHFFFAOYSA-N 1 1 284.359 3.620 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000483290847 1126778564 /nfs/dbraw/zinc/77/85/64/1126778564.db2.gz APCBFKQGXBRVEJ-UHFFFAOYSA-N 1 1 274.795 3.976 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483282445 1126778866 /nfs/dbraw/zinc/77/88/66/1126778866.db2.gz FHNRSZQJGFNFFD-GOSISDBHSA-N 1 1 295.430 3.658 20 30 CHEDMO Cc1c(C)c(C)c(C[N@@H+](C)C[C@@H](C)C#N)c(C)c1C ZINC000483262757 1126776446 /nfs/dbraw/zinc/77/64/46/1126776446.db2.gz RLEWDJURCFQCHX-NSHDSACASA-N 1 1 258.409 3.820 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+](C)C[C@@H](C)C#N)c(C)c1C ZINC000483262757 1126776450 /nfs/dbraw/zinc/77/64/50/1126776450.db2.gz RLEWDJURCFQCHX-NSHDSACASA-N 1 1 258.409 3.820 20 30 CHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483265853 1126777567 /nfs/dbraw/zinc/77/75/67/1126777567.db2.gz GSNZEOYTOXAENH-INIZCTEOSA-N 1 1 273.424 3.687 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162586009 1126781258 /nfs/dbraw/zinc/78/12/58/1126781258.db2.gz QWDCNODWKQFCKH-SNVBAGLBSA-N 1 1 274.261 3.626 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000483415665 1126786427 /nfs/dbraw/zinc/78/64/27/1126786427.db2.gz BIQXORWAXCUQKW-UHFFFAOYSA-N 1 1 299.361 3.539 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@H+]1CC#Cc1ccccc1 ZINC000483520900 1126790894 /nfs/dbraw/zinc/79/08/94/1126790894.db2.gz UXJMJKNZYPXJHA-CQSZACIVSA-N 1 1 267.397 3.719 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CC#Cc1ccccc1 ZINC000483520900 1126790898 /nfs/dbraw/zinc/79/08/98/1126790898.db2.gz UXJMJKNZYPXJHA-CQSZACIVSA-N 1 1 267.397 3.719 20 30 CHEDMO C[C@H](C[N@@H+](C)CC#Cc1ccccc1)c1ccccc1 ZINC000483595516 1126793980 /nfs/dbraw/zinc/79/39/80/1126793980.db2.gz SHWXHBDAEFUCPN-QGZVFWFLSA-N 1 1 263.384 3.774 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ccccc2C1 ZINC000483961350 1126805877 /nfs/dbraw/zinc/80/58/77/1126805877.db2.gz PGGDJDYIPZZHQK-GOSISDBHSA-N 1 1 294.373 3.687 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC2(C1)CCCCC2 ZINC000483931946 1126806143 /nfs/dbraw/zinc/80/61/43/1126806143.db2.gz LRNDDLMLERPEFA-UHFFFAOYSA-N 1 1 253.389 3.694 20 30 CHEDMO CC[N@@H+](Cc1c(C)noc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741647 1126809752 /nfs/dbraw/zinc/80/97/52/1126809752.db2.gz LWKWLIXDAWCPGB-CYBMUJFWSA-N 1 1 283.375 3.746 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC000793526203 1130563782 /nfs/dbraw/zinc/56/37/82/1130563782.db2.gz KXLSAOPFKPBECS-IAGOWNOFSA-N 1 1 266.473 3.833 20 30 CHEDMO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@@H](C#N)CCC#N ZINC000179734551 1126833010 /nfs/dbraw/zinc/83/30/10/1126833010.db2.gz ZTMHFSVDRLOXSA-GDBMZVCRSA-N 1 1 285.391 3.570 20 30 CHEDMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000036991942 1126848650 /nfs/dbraw/zinc/84/86/50/1126848650.db2.gz QWRSFGXFAAAMCR-QWRGUYRKSA-N 1 1 271.389 3.735 20 30 CHEDMO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000181812456 1126862029 /nfs/dbraw/zinc/86/20/29/1126862029.db2.gz UWWVPCCDFKQBND-GUYCJALGSA-N 1 1 298.386 3.752 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000904602461 1126861739 /nfs/dbraw/zinc/86/17/39/1126861739.db2.gz PHVMBEASXWJVFO-LSDHHAIUSA-N 1 1 283.375 3.504 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ncoc2C)no1 ZINC000904706888 1126867990 /nfs/dbraw/zinc/86/79/90/1126867990.db2.gz FUBSVYICIPURGC-LBPRGKRZSA-N 1 1 292.383 3.783 20 30 CHEDMO COCC[N@@H+](CCCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000485113001 1126885854 /nfs/dbraw/zinc/88/58/54/1126885854.db2.gz KDPFRLZSEQXHOK-INIZCTEOSA-N 1 1 278.440 3.621 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000183717528 1126890613 /nfs/dbraw/zinc/89/06/13/1126890613.db2.gz KVJLVGNSVDZUHK-HNNXBMFYSA-N 1 1 282.387 3.839 20 30 CHEDMO C=CCCOCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186434469 1126906789 /nfs/dbraw/zinc/90/67/89/1126906789.db2.gz INSXJPOVYXKKKD-GFCCVEGCSA-N 1 1 268.426 3.510 20 30 CHEDMO CC(C)c1ccc(C[NH+]2CCC(CC#N)CC2)c(Cl)n1 ZINC001238729888 1131238636 /nfs/dbraw/zinc/23/86/36/1131238636.db2.gz YOUNRQZTMHWTAX-UHFFFAOYSA-N 1 1 291.826 3.984 20 30 CHEDMO CC[N@@H+](Cc1cncc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000189804076 1126935462 /nfs/dbraw/zinc/93/54/62/1126935462.db2.gz YFLYKDDVZMKORX-HNNXBMFYSA-N 1 1 279.387 3.845 20 30 CHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226839 1126950072 /nfs/dbraw/zinc/95/00/72/1126950072.db2.gz KNPYTXVJJYFLHF-GFCCVEGCSA-N 1 1 287.794 3.743 20 30 CHEDMO Cc1nc(C)c([C@H](C)[N@H+](C)CC#Cc2ccccc2)s1 ZINC000192014070 1126957765 /nfs/dbraw/zinc/95/77/65/1126957765.db2.gz GTCDANVSGFQEHX-AWEZNQCLSA-N 1 1 284.428 3.804 20 30 CHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CC#Cc2ccccc2)s1 ZINC000192014070 1126957767 /nfs/dbraw/zinc/95/77/67/1126957767.db2.gz GTCDANVSGFQEHX-AWEZNQCLSA-N 1 1 284.428 3.804 20 30 CHEDMO C=CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC001168370925 1126981524 /nfs/dbraw/zinc/98/15/24/1126981524.db2.gz IUHINSIQLYOFQC-LJQANCHMSA-N 1 1 284.447 3.768 20 30 CHEDMO C=CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168370925 1126981526 /nfs/dbraw/zinc/98/15/26/1126981526.db2.gz IUHINSIQLYOFQC-LJQANCHMSA-N 1 1 284.447 3.768 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)ccc1C#N ZINC000486804289 1127004626 /nfs/dbraw/zinc/00/46/26/1127004626.db2.gz UZXBONQIGSWQAC-IBGZPJMESA-N 1 1 276.383 3.986 20 30 CHEDMO Cc1cc[nH+]c(N[C@@H](CCC#N)c2ccccc2)c1 ZINC000269736178 1127045228 /nfs/dbraw/zinc/04/52/28/1127045228.db2.gz UEFSBJGHPSQXCB-HNNXBMFYSA-N 1 1 251.333 3.847 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000487874061 1127045532 /nfs/dbraw/zinc/04/55/32/1127045532.db2.gz QGWFSTJAIVFJHH-QGZVFWFLSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000487874061 1127045534 /nfs/dbraw/zinc/04/55/34/1127045534.db2.gz QGWFSTJAIVFJHH-QGZVFWFLSA-N 1 1 277.383 3.945 20 30 CHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 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C/C(=N\OCCCn1cc[nH+]c1C)c1cc2ccccc2o1 ZINC000271239792 1127073417 /nfs/dbraw/zinc/07/34/17/1127073417.db2.gz XWIKHQJMROODJK-CPNJWEJPSA-N 1 1 297.358 3.769 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC(C)(C)C1 ZINC000570152541 1127074912 /nfs/dbraw/zinc/07/49/12/1127074912.db2.gz WZSOEYSQKMQLJZ-AWEZNQCLSA-N 1 1 256.393 3.621 20 30 CHEDMO C=C[C@H](CCCCCCC)OCCC[NH+]1CCOCC1 ZINC001224869358 1127105815 /nfs/dbraw/zinc/10/58/15/1127105815.db2.gz FSSVQZCFTRJMNV-QGZVFWFLSA-N 1 1 283.456 3.640 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000339128059 1127114731 /nfs/dbraw/zinc/11/47/31/1127114731.db2.gz ORQJFZMXEMKNAW-ZWNOBZJWSA-N 1 1 266.747 3.603 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CC)o1)Cc1ccc(CO)o1 ZINC000348632122 1127122013 /nfs/dbraw/zinc/12/20/13/1127122013.db2.gz GZCUKWKSQYNQPH-UHFFFAOYSA-N 1 1 289.375 3.506 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccc(CC)o1)Cc1ccc(CO)o1 ZINC000348632122 1127122018 /nfs/dbraw/zinc/12/20/18/1127122018.db2.gz GZCUKWKSQYNQPH-UHFFFAOYSA-N 1 1 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C[C@H](C#N)n1cc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)cn1 ZINC000600778618 1128680405 /nfs/dbraw/zinc/68/04/05/1128680405.db2.gz FLOUXXXNEWCYSZ-LSDHHAIUSA-N 1 1 294.402 3.619 20 30 CHEDMO C[C@H](C#N)n1cc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)cn1 ZINC000600778612 1128680615 /nfs/dbraw/zinc/68/06/15/1128680615.db2.gz FLOUXXXNEWCYSZ-HUUCEWRRSA-N 1 1 294.402 3.619 20 30 CHEDMO C=CC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)C(C)C ZINC000920411977 1128680830 /nfs/dbraw/zinc/68/08/30/1128680830.db2.gz NNFNECNOJFRLHZ-UHFFFAOYSA-N 1 1 270.376 3.555 20 30 CHEDMO C=CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)C(C)C ZINC000920411977 1128680832 /nfs/dbraw/zinc/68/08/32/1128680832.db2.gz NNFNECNOJFRLHZ-UHFFFAOYSA-N 1 1 270.376 3.555 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CCCN(C(=O)OC)CC1 ZINC001258044283 1128686002 /nfs/dbraw/zinc/68/60/02/1128686002.db2.gz KVQFNXRFGGQGAP-OAHLLOKOSA-N 1 1 284.444 3.510 20 30 CHEDMO N#CCC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000352900051 1128687316 /nfs/dbraw/zinc/68/73/16/1128687316.db2.gz 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ZINC000610080186 1128738225 /nfs/dbraw/zinc/73/82/25/1128738225.db2.gz VREBGCKQUJBMCX-INIZCTEOSA-N 1 1 281.403 3.966 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](N(CC)CC)C2)CC1 ZINC001208176356 1117855765 /nfs/dbraw/zinc/85/57/65/1117855765.db2.gz CGADIWCHHUKUJH-QZTJIDSGSA-N 1 1 276.468 3.705 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](N(CC)CC)C2)CC1 ZINC001208176356 1117855771 /nfs/dbraw/zinc/85/57/71/1117855771.db2.gz CGADIWCHHUKUJH-QZTJIDSGSA-N 1 1 276.468 3.705 20 30 CHEDMO COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccco2)cc1 ZINC000349403085 1117898078 /nfs/dbraw/zinc/89/80/78/1117898078.db2.gz FQDZGIOCJWFADE-YEWWUXTCSA-N 1 1 296.370 3.659 20 30 CHEDMO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccco2)cc1 ZINC000349403082 1117898181 /nfs/dbraw/zinc/89/81/81/1117898181.db2.gz FQDZGIOCJWFADE-JOQOYGCGSA-N 1 1 296.370 3.659 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1 ZINC000122873982 1117916272 /nfs/dbraw/zinc/91/62/72/1117916272.db2.gz WEJVOYSBQSSMTI-OAHLLOKOSA-N 1 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274.408 3.598 20 30 CHEDMO COc1cccc2c(N[C@@H]3CC[C@H](C#N)C3)c(C)c[nH+]c12 ZINC000425269076 1122431154 /nfs/dbraw/zinc/43/11/54/1122431154.db2.gz BEUHWHKKKVPMAQ-QWHCGFSZSA-N 1 1 281.359 3.656 20 30 CHEDMO C#CCSCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000218967167 1122462513 /nfs/dbraw/zinc/46/25/13/1122462513.db2.gz NIGQNSURZUWVQH-UHFFFAOYSA-N 1 1 276.792 3.667 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1SC ZINC000775183546 1122470076 /nfs/dbraw/zinc/47/00/76/1122470076.db2.gz OGBMSRRSXMKALU-JTQLQIEISA-N 1 1 298.249 3.625 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000775184523 1122471393 /nfs/dbraw/zinc/47/13/93/1122471393.db2.gz XEGZYWMGKGAOCV-SECBINFHSA-N 1 1 275.701 3.812 20 30 CHEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000435590368 1122477236 /nfs/dbraw/zinc/47/72/36/1122477236.db2.gz VTLBSYWDCAYVPY-GOSISDBHSA-N 1 1 283.419 3.767 20 30 CHEDMO C=CCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001189583477 1122506939 /nfs/dbraw/zinc/50/69/39/1122506939.db2.gz QGUYTNYAQRSXDS-INIZCTEOSA-N 1 1 261.434 3.960 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000515666903 1122524055 /nfs/dbraw/zinc/52/40/55/1122524055.db2.gz AFVIHPZFNVADSJ-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000515666903 1122524059 /nfs/dbraw/zinc/52/40/59/1122524059.db2.gz AFVIHPZFNVADSJ-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000405172813 1122525987 /nfs/dbraw/zinc/52/59/87/1122525987.db2.gz PBGVWGJEDXRPQM-UHFFFAOYSA-N 1 1 294.398 3.905 20 30 CHEDMO C=CCCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001190310611 1122532305 /nfs/dbraw/zinc/53/23/05/1122532305.db2.gz NWQOMLNPZOQTIU-UHFFFAOYSA-N 1 1 289.419 3.808 20 30 CHEDMO N#Cc1ccc(CC[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC001190417480 1122537444 /nfs/dbraw/zinc/53/74/44/1122537444.db2.gz IXHDOTQRIPMYSE-UHFFFAOYSA-N 1 1 294.373 3.904 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000775397677 1122543215 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C#CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000775404083 1122550505 /nfs/dbraw/zinc/55/05/05/1122550505.db2.gz LVFVJWXIXYVPJR-KRWDZBQOSA-N 1 1 298.317 3.588 20 30 CHEDMO CCCCC[N@@H+](CCCOC)Cc1ccccc1C#N ZINC000505850567 1122564402 /nfs/dbraw/zinc/56/44/02/1122564402.db2.gz HORJBWFDGZIXMR-UHFFFAOYSA-N 1 1 274.408 3.587 20 30 CHEDMO CCCCCCCCNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001191052613 1122567035 /nfs/dbraw/zinc/56/70/35/1122567035.db2.gz PFUPRBPPDDQJFP-UHFFFAOYSA-N 1 1 292.427 3.630 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000505873179 1122575810 /nfs/dbraw/zinc/57/58/10/1122575810.db2.gz VWCGHBWGJGHUDD-UHFFFAOYSA-N 1 1 269.392 3.783 20 30 CHEDMO CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC001191157267 1122578119 /nfs/dbraw/zinc/57/81/19/1122578119.db2.gz VGGUEGWEHSUFJX-RCCFBDPRSA-N 1 1 298.430 3.573 20 30 CHEDMO CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC001191157267 1122578123 /nfs/dbraw/zinc/57/81/23/1122578123.db2.gz 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ZINC000437595012 1122642215 /nfs/dbraw/zinc/64/22/15/1122642215.db2.gz XOQFWJPKNSEWDB-UHFFFAOYSA-N 1 1 254.377 3.941 20 30 CHEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437633763 1122646969 /nfs/dbraw/zinc/64/69/69/1122646969.db2.gz YOKDYSOCTVESCH-FZMZJTMJSA-N 1 1 294.345 3.780 20 30 CHEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437637735 1122648078 /nfs/dbraw/zinc/64/80/78/1122648078.db2.gz WHZCIFGOSSUBNG-VXGBXAGGSA-N 1 1 294.345 3.780 20 30 CHEDMO C=CC[N@H+](CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001192515692 1122650082 /nfs/dbraw/zinc/65/00/82/1122650082.db2.gz QTYSFXJZZPAGBU-UHFFFAOYSA-N 1 1 285.309 3.778 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000438174099 1122683526 /nfs/dbraw/zinc/68/35/26/1122683526.db2.gz GBVUFUVJHQUCER-KMFMINBZSA-N 1 1 284.403 3.720 20 30 CHEDMO CC[N@@H+](CC(C)(C)COC)[C@@H](C)c1ccc(C#N)cc1 ZINC000426040796 1122707286 /nfs/dbraw/zinc/70/72/86/1122707286.db2.gz XSKYDYCIRIMVSY-AWEZNQCLSA-N 1 1 274.408 3.614 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Clc1ccc(C#CC[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426481501 1122801922 /nfs/dbraw/zinc/80/19/22/1122801922.db2.gz ALLHCARHNUJYKP-HOCLYGCPSA-N 1 1 259.780 3.566 20 30 CHEDMO C=C(C)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000775613829 1122805151 /nfs/dbraw/zinc/80/51/51/1122805151.db2.gz UUOHCAGLGATGDN-QGZVFWFLSA-N 1 1 285.387 3.781 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000775613453 1122806686 /nfs/dbraw/zinc/80/66/86/1122806686.db2.gz QBIUJGZNOXWCCZ-UHFFFAOYSA-N 1 1 272.779 3.589 20 30 CHEDMO C#CC[N@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000775613453 1122806692 /nfs/dbraw/zinc/80/66/92/1122806692.db2.gz QBIUJGZNOXWCCZ-UHFFFAOYSA-N 1 1 272.779 3.589 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C)nn(C(C)(C)C)c1C ZINC000426548407 1122817776 /nfs/dbraw/zinc/81/77/76/1122817776.db2.gz MPNISQBKSQMYIP-OAHLLOKOSA-N 1 1 275.440 3.795 20 30 CHEDMO Cc1ccccc1CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000440330273 1122838443 /nfs/dbraw/zinc/83/84/43/1122838443.db2.gz XWQQWGQLTLZRFW-UHFFFAOYSA-N 1 1 278.399 3.931 20 30 CHEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC001195425056 1122869718 /nfs/dbraw/zinc/86/97/18/1122869718.db2.gz KDRWLFRBBHISDB-BBRMVZONSA-N 1 1 272.392 3.799 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC001195462542 1122870100 /nfs/dbraw/zinc/87/01/00/1122870100.db2.gz BOSHGBMLNRPEEX-YOEHRIQHSA-N 1 1 291.822 3.763 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC001195463077 1122870369 /nfs/dbraw/zinc/87/03/69/1122870369.db2.gz GGTCJFXNPARQON-MRXNPFEDSA-N 1 1 271.404 3.709 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC001195462844 1122870421 /nfs/dbraw/zinc/87/04/21/1122870421.db2.gz FGQKTLNYRYDGTO-CQSZACIVSA-N 1 1 293.357 3.832 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001195463163 1122870504 /nfs/dbraw/zinc/87/05/04/1122870504.db2.gz HYVROWHUYPSADJ-HUUCEWRRSA-N 1 1 286.375 3.700 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC001195757084 1122885381 /nfs/dbraw/zinc/88/53/81/1122885381.db2.gz LMPHUKVOWKSSMI-OAHLLOKOSA-N 1 1 253.430 3.990 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001195768787 1122885592 /nfs/dbraw/zinc/88/55/92/1122885592.db2.gz WSEMDOLBFCFISA-XJKSGUPXSA-N 1 1 293.838 3.629 20 30 CHEDMO C=CCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC001195918657 1122897572 /nfs/dbraw/zinc/89/75/72/1122897572.db2.gz HQWRXVXFFOKYDD-UHFFFAOYSA-N 1 1 256.176 3.928 20 30 CHEDMO C=CCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC001195918657 1122897577 /nfs/dbraw/zinc/89/75/77/1122897577.db2.gz HQWRXVXFFOKYDD-UHFFFAOYSA-N 1 1 256.176 3.928 20 30 CHEDMO Cc1cn2cc(NC=Cc3ccc(C#N)cc3)ccc2[nH+]1 ZINC001203303104 1122899307 /nfs/dbraw/zinc/89/93/07/1122899307.db2.gz JEMCTCIDGCXQIZ-CMDGGOBGSA-N 1 1 274.327 3.597 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2cc(F)cc(C#N)c2)c1 ZINC000163556467 1122906398 /nfs/dbraw/zinc/90/63/98/1122906398.db2.gz VOTOHNHHFOFUBS-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C(C)(C)C ZINC001196198597 1122911342 /nfs/dbraw/zinc/91/13/42/1122911342.db2.gz OFTGJZHUIJELPI-UHFFFAOYSA-N 1 1 294.826 3.873 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)cc1 ZINC000507131678 1122928362 /nfs/dbraw/zinc/92/83/62/1122928362.db2.gz KGKVEVFJVWPSGR-UHFFFAOYSA-N 1 1 274.751 3.827 20 30 CHEDMO Cc1cc(F)ccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001196621977 1122928716 /nfs/dbraw/zinc/92/87/16/1122928716.db2.gz AULZPMLCGPHWAC-UHFFFAOYSA-N 1 1 294.373 3.759 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000507206721 1122937943 /nfs/dbraw/zinc/93/79/43/1122937943.db2.gz BZGXWLPXOXTOOG-RTBURBONSA-N 1 1 276.383 3.794 20 30 CHEDMO C=CCC1([NH2+]CC(=O)OCc2ccccc2)CCCCC1 ZINC001196953158 1122940817 /nfs/dbraw/zinc/94/08/17/1122940817.db2.gz RRVYZAXGNCCAEP-UHFFFAOYSA-N 1 1 287.403 3.598 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001197378350 1122956374 /nfs/dbraw/zinc/95/63/74/1122956374.db2.gz XQUNNYNAICDULM-OAHLLOKOSA-N 1 1 296.455 3.674 20 30 CHEDMO C=CCC[N@H+](Cc1[nH]c(CC)nc1C)Cc1ccccc1 ZINC001203242445 1122957721 /nfs/dbraw/zinc/95/77/21/1122957721.db2.gz AQXSPGYWXMXVPO-UHFFFAOYSA-N 1 1 283.419 3.859 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC001197702476 1122966757 /nfs/dbraw/zinc/96/67/57/1122966757.db2.gz YJMRVUVAGGKAJR-KRWDZBQOSA-N 1 1 293.410 3.954 20 30 CHEDMO C#CC[N@@H+](CCC1CC1)[C@H]1CCCc2ccccc21 ZINC001198103156 1122981899 /nfs/dbraw/zinc/98/18/99/1122981899.db2.gz DKMLPJBHXHOYHN-SFHVURJKSA-N 1 1 253.389 3.799 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001198277601 1122985780 /nfs/dbraw/zinc/98/57/80/1122985780.db2.gz DDZCXRKWDIATRR-SJORKVTESA-N 1 1 273.420 3.582 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC001198414179 1122990902 /nfs/dbraw/zinc/99/09/02/1122990902.db2.gz GDTSGUDHHHVUIB-JKSUJKDBSA-N 1 1 251.414 3.622 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccc(C)c(Cl)n1 ZINC001198457838 1122992709 /nfs/dbraw/zinc/99/27/09/1122992709.db2.gz LWLDHNAMKBIKDW-UHFFFAOYSA-N 1 1 252.789 3.832 20 30 CHEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC001198492142 1122994470 /nfs/dbraw/zinc/99/44/70/1122994470.db2.gz YMFZHJCKYGOSAY-QWHCGFSZSA-N 1 1 292.810 3.626 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC001198492142 1122994474 /nfs/dbraw/zinc/99/44/74/1122994474.db2.gz YMFZHJCKYGOSAY-QWHCGFSZSA-N 1 1 292.810 3.626 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000334359451 1122995807 /nfs/dbraw/zinc/99/58/07/1122995807.db2.gz WDARWGPUOPPJLH-UHFFFAOYSA-N 1 1 275.421 3.536 20 30 CHEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(C)cc2c1 ZINC001198526373 1122995819 /nfs/dbraw/zinc/99/58/19/1122995819.db2.gz RQVPAOLTIMQQBR-KRWDZBQOSA-N 1 1 264.372 3.531 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000507732358 1123048789 /nfs/dbraw/zinc/04/87/89/1123048789.db2.gz LSCBBHQKLGOIEC-UHFFFAOYSA-N 1 1 294.398 3.922 20 30 CHEDMO C[C@@H]([N@@H+](C)CC#Cc1ccccc1Cl)C1(C)CC1 ZINC000441172050 1123063854 /nfs/dbraw/zinc/06/38/54/1123063854.db2.gz MVSDDFSROLSCPK-CYBMUJFWSA-N 1 1 261.796 3.812 20 30 CHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCCCCC)C2 ZINC001201746532 1123145341 /nfs/dbraw/zinc/14/53/41/1123145341.db2.gz KRBDZPRVYGCKHN-ZWKOTPCHSA-N 1 1 295.467 3.640 20 30 CHEDMO CCCCCCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001201761840 1123148496 /nfs/dbraw/zinc/14/84/96/1123148496.db2.gz SBQSGLCWFVQRIW-CABCVRRESA-N 1 1 251.414 3.790 20 30 CHEDMO C=C(C)C[NH+]1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000441488904 1123148531 /nfs/dbraw/zinc/14/85/31/1123148531.db2.gz RQGRCIFAEDXUKO-KRWDZBQOSA-N 1 1 294.389 3.610 20 30 CHEDMO CCCCCCCN1CC[N@@H+](C)CC12CCCC2 ZINC001201798341 1123150397 /nfs/dbraw/zinc/15/03/97/1123150397.db2.gz VXGCEFAERGRBOY-UHFFFAOYSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001201798100 1123150415 /nfs/dbraw/zinc/15/04/15/1123150415.db2.gz ONDWMFRIMUHPJC-MRXNPFEDSA-N 1 1 253.430 3.705 20 30 CHEDMO CCCCCCC[N@@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001201804266 1123150460 /nfs/dbraw/zinc/15/04/60/1123150460.db2.gz HAMGVOPACJJYKF-DLBZAZTESA-N 1 1 284.463 3.855 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001201804266 1123150463 /nfs/dbraw/zinc/15/04/63/1123150463.db2.gz HAMGVOPACJJYKF-DLBZAZTESA-N 1 1 284.463 3.855 20 30 CHEDMO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001201776296 1123151088 /nfs/dbraw/zinc/15/10/88/1123151088.db2.gz ANZZEYLDVKWHPN-OWCLPIDISA-N 1 1 253.430 3.704 20 30 CHEDMO CCCCCCCC[N@@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001201813175 1123151295 /nfs/dbraw/zinc/15/12/95/1123151295.db2.gz BQYHBAVWHKGORN-HNNXBMFYSA-N 1 1 293.455 3.767 20 30 CHEDMO CCCCCCCC[N@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001201813175 1123151296 /nfs/dbraw/zinc/15/12/96/1123151296.db2.gz BQYHBAVWHKGORN-HNNXBMFYSA-N 1 1 293.455 3.767 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001201852859 1123152263 /nfs/dbraw/zinc/15/22/63/1123152263.db2.gz PASIDOIXECORKS-GOSISDBHSA-N 1 1 294.483 3.729 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001201787877 1123152516 /nfs/dbraw/zinc/15/25/16/1123152516.db2.gz OWMAHOLFVKPTIK-AWEZNQCLSA-N 1 1 269.429 3.620 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2ncn(C)c2C1 ZINC001201853014 1123152602 /nfs/dbraw/zinc/15/26/02/1123152602.db2.gz XXVNZWPYLHJXQC-UHFFFAOYSA-N 1 1 263.429 3.529 20 30 CHEDMO CCCCCCCC[NH+]1CCN(CCCC)CC1 ZINC001201826449 1123153198 /nfs/dbraw/zinc/15/31/98/1123153198.db2.gz WNSYRWFUFSRHMB-UHFFFAOYSA-N 1 1 254.462 3.765 20 30 CHEDMO CCCCCCCC[N@@H+](CC)CCn1ccnc1 ZINC001201840180 1123155091 /nfs/dbraw/zinc/15/50/91/1123155091.db2.gz OEUROLPCVGLOFF-UHFFFAOYSA-N 1 1 251.418 3.566 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCO[C@H](CC)C1 ZINC000507792026 1123199993 /nfs/dbraw/zinc/19/99/93/1123199993.db2.gz GCGBMQFTYBPHTN-RBUKOAKNSA-N 1 1 287.447 3.922 20 30 CHEDMO C=CCC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccco1 ZINC000579593684 1123215494 /nfs/dbraw/zinc/21/54/94/1123215494.db2.gz DQEBOFIFQVXOKP-MRXNPFEDSA-N 1 1 270.376 3.535 20 30 CHEDMO CC[N@@H+](CCC1(OC)CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000338927127 1123231797 /nfs/dbraw/zinc/23/17/97/1123231797.db2.gz UNKDTMIGQOXTFX-OAHLLOKOSA-N 1 1 286.419 3.900 20 30 CHEDMO CC#CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000155999259 1129108565 /nfs/dbraw/zinc/10/85/65/1129108565.db2.gz FMPSCSUZKGAOLI-KRWDZBQOSA-N 1 1 281.403 3.607 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428227061 1123280682 /nfs/dbraw/zinc/28/06/82/1123280682.db2.gz IRYPUNGWPLEZPQ-IBGZPJMESA-N 1 1 294.373 3.861 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000428211293 1123282380 /nfs/dbraw/zinc/28/23/80/1123282380.db2.gz LERVKTOHORQSSW-MRXNPFEDSA-N 1 1 294.373 3.762 20 30 CHEDMO CC[C@@]1(C)CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428235614 1123284712 /nfs/dbraw/zinc/28/47/12/1123284712.db2.gz HUYPOMRYXSTLIL-INIZCTEOSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428235614 1123284713 /nfs/dbraw/zinc/28/47/13/1123284713.db2.gz HUYPOMRYXSTLIL-INIZCTEOSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000059422214 1123309376 /nfs/dbraw/zinc/30/93/76/1123309376.db2.gz QHXGWGWMKPXROT-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO COc1cc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)ccc1C#N ZINC000442841512 1123343047 /nfs/dbraw/zinc/34/30/47/1123343047.db2.gz GHWGWMABOFLESB-KSSFIOAISA-N 1 1 284.403 3.579 20 30 CHEDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000442838466 1123343095 /nfs/dbraw/zinc/34/30/95/1123343095.db2.gz SQRYQAZNCCCTMS-JQFCIGGWSA-N 1 1 284.403 3.577 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000442893959 1123347775 /nfs/dbraw/zinc/34/77/75/1123347775.db2.gz HFUBJNMFMSWAPT-DNVCBOLYSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000442893959 1123347780 /nfs/dbraw/zinc/34/77/80/1123347780.db2.gz HFUBJNMFMSWAPT-DNVCBOLYSA-N 1 1 298.430 3.900 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CCc1nsc2ccccc21 ZINC000851778312 1123379224 /nfs/dbraw/zinc/37/92/24/1123379224.db2.gz GPIGZGYLQPRFJF-UHFFFAOYSA-N 1 1 287.432 3.710 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000852101149 1123396523 /nfs/dbraw/zinc/39/65/23/1123396523.db2.gz MXIJFIGLDSZQTP-SFHVURJKSA-N 1 1 298.386 3.632 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326856 1123403407 /nfs/dbraw/zinc/40/34/07/1123403407.db2.gz PORWXARMDRHGIM-VQIMIIECSA-N 1 1 291.398 3.700 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326856 1123403409 /nfs/dbraw/zinc/40/34/09/1123403409.db2.gz PORWXARMDRHGIM-VQIMIIECSA-N 1 1 291.398 3.700 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852410107 1123404309 /nfs/dbraw/zinc/40/43/09/1123404309.db2.gz IADYUTVNEBECME-GFCCVEGCSA-N 1 1 278.327 3.522 20 30 CHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CC2CCC2)cc1 ZINC000852712707 1123412732 /nfs/dbraw/zinc/41/27/32/1123412732.db2.gz UGOYJMKNCHTEMU-MOPGFXCFSA-N 1 1 298.430 3.636 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443621727 1123448184 /nfs/dbraw/zinc/44/81/84/1123448184.db2.gz MXULEWWCVZXRJK-UHFFFAOYSA-N 1 1 291.345 3.549 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000443621727 1123448188 /nfs/dbraw/zinc/44/81/88/1123448188.db2.gz MXULEWWCVZXRJK-UHFFFAOYSA-N 1 1 291.345 3.549 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)C1 ZINC000443640165 1123456069 /nfs/dbraw/zinc/45/60/69/1123456069.db2.gz MNACYAUGROEOKR-OLZOCXBDSA-N 1 1 260.356 3.565 20 30 CHEDMO CC(C)C[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000474161256 1123475821 /nfs/dbraw/zinc/47/58/21/1123475821.db2.gz YBMZKPGAYOEXFV-WBVHZDCISA-N 1 1 258.409 3.908 20 30 CHEDMO N#CCC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025288172 1123481620 /nfs/dbraw/zinc/48/16/20/1123481620.db2.gz CPVIJTSILXWKQJ-GOSISDBHSA-N 1 1 262.356 3.548 20 30 CHEDMO N#CCC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025288172 1123481622 /nfs/dbraw/zinc/48/16/22/1123481622.db2.gz CPVIJTSILXWKQJ-GOSISDBHSA-N 1 1 262.356 3.548 20 30 CHEDMO CSc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000895451743 1123481681 /nfs/dbraw/zinc/48/16/81/1123481681.db2.gz MDLXSZMGTRMMSN-UHFFFAOYSA-N 1 1 286.400 3.548 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C#N)c(F)c1 ZINC000776746989 1123488259 /nfs/dbraw/zinc/48/82/59/1123488259.db2.gz VZNYJTHAKHEUIY-LLVKDONJSA-N 1 1 297.308 3.559 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000776802822 1123515518 /nfs/dbraw/zinc/51/55/18/1123515518.db2.gz QJPNSKPFEKLTJM-LJQANCHMSA-N 1 1 276.383 3.684 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1cc(F)c(Cl)cc1Cl ZINC000779809099 1129126691 /nfs/dbraw/zinc/12/66/91/1129126691.db2.gz LJMACXCTQQTZOC-UHFFFAOYSA-N 1 1 298.148 3.786 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025439069 1123529451 /nfs/dbraw/zinc/52/94/51/1123529451.db2.gz DKSPHTIQTPZFHB-IBGZPJMESA-N 1 1 276.383 3.765 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000338980942 1123535563 /nfs/dbraw/zinc/53/55/63/1123535563.db2.gz IWBYJURIYPLKQN-ZWNOBZJWSA-N 1 1 266.747 3.603 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000338980942 1123535567 /nfs/dbraw/zinc/53/55/67/1123535567.db2.gz IWBYJURIYPLKQN-ZWNOBZJWSA-N 1 1 266.747 3.603 20 30 CHEDMO C=CCOCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000339004439 1123599019 /nfs/dbraw/zinc/59/90/19/1123599019.db2.gz BIFISUUVSYTLOS-UHFFFAOYSA-N 1 1 263.381 3.617 20 30 CHEDMO C[N@@H+](Cc1cc(Br)ccc1C#N)CC(C)(C)C ZINC001141902949 1123602770 /nfs/dbraw/zinc/60/27/70/1123602770.db2.gz KQVROADDSODHPD-UHFFFAOYSA-N 1 1 295.224 3.799 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023849 1123629256 /nfs/dbraw/zinc/62/92/56/1123629256.db2.gz RIAFTVYLXMMREZ-QGZVFWFLSA-N 1 1 286.419 3.768 20 30 CHEDMO C=CC[C@H]([NH2+][C@H]1CCCc2scnc21)c1ccncc1 ZINC000858365658 1123647704 /nfs/dbraw/zinc/64/77/04/1123647704.db2.gz QAVUQPLUWYWVLZ-KBPBESRZSA-N 1 1 285.416 3.823 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H]1CCCc2scnc21)c1ccccc1 ZINC000858382077 1123649331 /nfs/dbraw/zinc/64/93/31/1123649331.db2.gz KJKMYVQQKDONFU-LSDHHAIUSA-N 1 1 282.412 3.875 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000860046732 1123719622 /nfs/dbraw/zinc/71/96/22/1123719622.db2.gz FNHOQQQFRGUSPF-LBPRGKRZSA-N 1 1 294.609 3.759 20 30 CHEDMO CC[N@@H+](Cc1ccnc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000859089538 1123683813 /nfs/dbraw/zinc/68/38/13/1123683813.db2.gz HFPLPJXTKRYEBC-CYBMUJFWSA-N 1 1 283.350 3.675 20 30 CHEDMO CC(C)C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000346779228 1123713505 /nfs/dbraw/zinc/71/35/05/1123713505.db2.gz NIBSVDIDBOHORG-UHFFFAOYSA-N 1 1 293.414 3.654 20 30 CHEDMO C#CCCC[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000860124536 1123721081 /nfs/dbraw/zinc/72/10/81/1123721081.db2.gz XSFKWQMEYSMPAU-OAHLLOKOSA-N 1 1 265.347 3.598 20 30 CHEDMO C#CCCC[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000860124536 1123721083 /nfs/dbraw/zinc/72/10/83/1123721083.db2.gz XSFKWQMEYSMPAU-OAHLLOKOSA-N 1 1 265.347 3.598 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000428325389 1123730326 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C#CC[N@@H+](Cc1cnc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000862213115 1123792487 /nfs/dbraw/zinc/79/24/87/1123792487.db2.gz VPRHFVWJMAZBCP-SFHVURJKSA-N 1 1 292.382 3.675 20 30 CHEDMO Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001141988231 1123796429 /nfs/dbraw/zinc/79/64/29/1123796429.db2.gz MUMTXGDAYDJKNK-OAHLLOKOSA-N 1 1 295.386 3.776 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000862443234 1123809591 /nfs/dbraw/zinc/80/95/91/1123809591.db2.gz MMRSBESESGKWQA-LBPRGKRZSA-N 1 1 288.441 3.717 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000862445390 1123811425 /nfs/dbraw/zinc/81/14/25/1123811425.db2.gz SCZXOGVMWAWXQH-HNNXBMFYSA-N 1 1 296.439 3.964 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000862444133 1123812032 /nfs/dbraw/zinc/81/20/32/1123812032.db2.gz YHFVKRWQNXYWON-LLVKDONJSA-N 1 1 285.359 3.581 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000862444436 1123812068 /nfs/dbraw/zinc/81/20/68/1123812068.db2.gz AHOXEDQQPQEPIN-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO COc1ccc([C@H]2CCCCC2=[NH+]n2cccn2)cc1F ZINC000863166117 1123849500 /nfs/dbraw/zinc/84/95/00/1123849500.db2.gz UHUBPUMQYFDZEO-CYBMUJFWSA-N 1 1 287.338 3.593 20 30 CHEDMO C[C@H](c1ccccc1F)[N@H+](C)Cc1cc(C#N)cs1 ZINC000129738048 1123850187 /nfs/dbraw/zinc/85/01/87/1123850187.db2.gz WPSNKKXZGULRJH-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000129738048 1123850189 /nfs/dbraw/zinc/85/01/89/1123850189.db2.gz WPSNKKXZGULRJH-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800980 1123856015 /nfs/dbraw/zinc/85/60/15/1123856015.db2.gz ZEOCIMHYOSOKAF-SFHVURJKSA-N 1 1 294.423 3.848 20 30 CHEDMO CC(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCCC1 ZINC000248701197 1123903180 /nfs/dbraw/zinc/90/31/80/1123903180.db2.gz AGIDPVADCXWMJE-KURKYZTESA-N 1 1 291.483 3.559 20 30 CHEDMO C=CCC[C@H](Nc1nc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000301770667 1123931931 /nfs/dbraw/zinc/93/19/31/1123931931.db2.gz JBLYARZEEWLOCO-HNNXBMFYSA-N 1 1 282.391 3.662 20 30 CHEDMO C=CCOc1ccccc1CNc1cc(CC)[nH+]c(C)n1 ZINC000302069826 1123953475 /nfs/dbraw/zinc/95/34/75/1123953475.db2.gz XTLNQDWAFZYLBU-UHFFFAOYSA-N 1 1 283.375 3.524 20 30 CHEDMO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000865815369 1124015856 /nfs/dbraw/zinc/01/58/56/1124015856.db2.gz WAQYGNSNXYCUPX-UHFFFAOYSA-N 1 1 286.350 3.878 20 30 CHEDMO C[N@@H+](Cc1ccccc1C#N)CC1(c2ccccc2)CC1 ZINC000347007436 1124026048 /nfs/dbraw/zinc/02/60/48/1124026048.db2.gz QLKLIURSGIYUHQ-UHFFFAOYSA-N 1 1 276.383 3.722 20 30 CHEDMO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866216829 1124038198 /nfs/dbraw/zinc/03/81/98/1124038198.db2.gz VCMOVZSWICRRKR-CHWSQXEVSA-N 1 1 296.370 3.684 20 30 CHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C12CCC2 ZINC000444641231 1124048934 /nfs/dbraw/zinc/04/89/34/1124048934.db2.gz DKDFNDZGHCRMSG-JKSUJKDBSA-N 1 1 292.467 3.986 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+](CCO)CC1CCCCC1 ZINC000444686260 1124051125 /nfs/dbraw/zinc/05/11/25/1124051125.db2.gz CKCJTPMGGHCPNU-UHFFFAOYSA-N 1 1 280.456 3.581 20 30 CHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444717161 1124057679 /nfs/dbraw/zinc/05/76/79/1124057679.db2.gz RGSXUAOBKZCYLD-KRWDZBQOSA-N 1 1 280.456 3.579 20 30 CHEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCCC(C)(C)C#N ZINC000444780558 1124060050 /nfs/dbraw/zinc/06/00/50/1124060050.db2.gz NETBQOXDJTYXRW-KRWDZBQOSA-N 1 1 294.439 3.514 20 30 CHEDMO C=CC[N@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000428377344 1124060203 /nfs/dbraw/zinc/06/02/03/1124060203.db2.gz GYJCRHBMZINGAV-UHFFFAOYSA-N 1 1 295.430 3.843 20 30 CHEDMO C=CC[C@H]1[N@H+](CCC(=O)NC2CCCC2)CCCC1(C)C ZINC000444776044 1124062289 /nfs/dbraw/zinc/06/22/89/1124062289.db2.gz AUMPQTRQWODVQQ-MRXNPFEDSA-N 1 1 292.467 3.502 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cc(C(=O)OC)co2)CCCC1(C)C ZINC000444773423 1124063214 /nfs/dbraw/zinc/06/32/14/1124063214.db2.gz DEVSUTJMHWGGQV-OAHLLOKOSA-N 1 1 291.391 3.633 20 30 CHEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCCCO2)CCCC1(C)C ZINC000444779015 1124064453 /nfs/dbraw/zinc/06/44/53/1124064453.db2.gz XCZKWKWAJXBWAE-LSDHHAIUSA-N 1 1 251.414 3.622 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CCCC12CCC2 ZINC000444786742 1124065233 /nfs/dbraw/zinc/06/52/33/1124065233.db2.gz VLESCJMFIYLYDP-UHFFFAOYSA-N 1 1 259.780 3.710 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2noc(CCC)n2)CCCC1(C)C ZINC000444786809 1124065475 /nfs/dbraw/zinc/06/54/75/1124065475.db2.gz PFEAPXNAQIWNBF-ZDUSSCGKSA-N 1 1 277.412 3.589 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2noc(CCC)n2)CCCC1(C)C ZINC000444786809 1124065479 /nfs/dbraw/zinc/06/54/79/1124065479.db2.gz PFEAPXNAQIWNBF-ZDUSSCGKSA-N 1 1 277.412 3.589 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC000445873516 1124105680 /nfs/dbraw/zinc/10/56/80/1124105680.db2.gz FHKFTOQFBWGJSH-UHFFFAOYSA-N 1 1 297.427 3.503 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ncsc2C1 ZINC000445873516 1124105686 /nfs/dbraw/zinc/10/56/86/1124105686.db2.gz FHKFTOQFBWGJSH-UHFFFAOYSA-N 1 1 297.427 3.503 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000445876578 1124105966 /nfs/dbraw/zinc/10/59/66/1124105966.db2.gz XJNHVSDRENEYKD-UHFFFAOYSA-N 1 1 284.403 3.723 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000525328487 1124122745 /nfs/dbraw/zinc/12/27/45/1124122745.db2.gz ARKUMHRVLGRARZ-UHFFFAOYSA-N 1 1 272.161 3.596 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000428454482 1124123526 /nfs/dbraw/zinc/12/35/26/1124123526.db2.gz RGJJPMDQGJHZCA-DOTOQJQBSA-N 1 1 257.377 3.626 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000446831666 1124124648 /nfs/dbraw/zinc/12/46/48/1124124648.db2.gz HGCZMYYJQWCTGD-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428457055 1124127928 /nfs/dbraw/zinc/12/79/28/1124127928.db2.gz LRQMVCOVTVSQBS-ZBFHGGJFSA-N 1 1 257.377 3.626 20 30 CHEDMO C[N@H+](CCCOc1ccccc1)Cc1cccc(F)c1C#N ZINC000428460438 1124129119 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C=CC[C@H]1[N@@H+](C[C@H]2CC(C)(C)CO2)CCCC1(C)C ZINC001169844611 1129759967 /nfs/dbraw/zinc/75/99/67/1129759967.db2.gz OIHCKOTZNKQMQD-HUUCEWRRSA-N 1 1 265.441 3.868 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2csnc2OC)CCCC1(C)C ZINC001169845954 1129760916 /nfs/dbraw/zinc/76/09/16/1129760916.db2.gz ZIBSGTIKKKBUEZ-CYBMUJFWSA-N 1 1 280.437 3.718 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000103460633 1129763732 /nfs/dbraw/zinc/76/37/32/1129763732.db2.gz IYMRCKVBOHYRNL-LBPRGKRZSA-N 1 1 298.386 3.751 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000103460633 1129763735 /nfs/dbraw/zinc/76/37/35/1129763735.db2.gz IYMRCKVBOHYRNL-LBPRGKRZSA-N 1 1 298.386 3.751 20 30 CHEDMO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000103460848 1129764940 /nfs/dbraw/zinc/76/49/40/1129764940.db2.gz ASDLZIMGVATNAT-CYBMUJFWSA-N 1 1 274.408 3.732 20 30 CHEDMO C#CCCC[N@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000766896162 1129769217 /nfs/dbraw/zinc/76/92/17/1129769217.db2.gz QQFLWMDJXWYQQK-HNNXBMFYSA-N 1 1 259.393 3.882 20 30 CHEDMO C#CCCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000766916991 1129770054 /nfs/dbraw/zinc/77/00/54/1129770054.db2.gz MULAACZMHXMQAN-UHFFFAOYSA-N 1 1 296.389 3.679 20 30 CHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000766907254 1129770448 /nfs/dbraw/zinc/77/04/48/1129770448.db2.gz XGOCQMFAMLYPLF-GOSISDBHSA-N 1 1 299.439 3.697 20 30 CHEDMO C#CCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000766906560 1129770713 /nfs/dbraw/zinc/77/07/13/1129770713.db2.gz RMGHNOCQXKJJIM-JKSUJKDBSA-N 1 1 291.460 3.830 20 30 CHEDMO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)nn1 ZINC000653504497 1129781563 /nfs/dbraw/zinc/78/15/63/1129781563.db2.gz XPMVDDOJNDHHKW-INIZCTEOSA-N 1 1 298.434 3.664 20 30 CHEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)nn1 ZINC000653504497 1129781566 /nfs/dbraw/zinc/78/15/66/1129781566.db2.gz XPMVDDOJNDHHKW-INIZCTEOSA-N 1 1 298.434 3.664 20 30 CHEDMO CC(C)CCC(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000767828219 1129815805 /nfs/dbraw/zinc/81/58/05/1129815805.db2.gz NEUSHLLXVYDYMA-UHFFFAOYSA-N 1 1 287.407 3.922 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877775 1129817788 /nfs/dbraw/zinc/81/77/88/1129817788.db2.gz WLYMQZOBXPBROR-CQSZACIVSA-N 1 1 281.321 3.908 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000113192901 1129835546 /nfs/dbraw/zinc/83/55/46/1129835546.db2.gz NJUJCVISMXJRKY-DNVCBOLYSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215027 1129843351 /nfs/dbraw/zinc/84/33/51/1129843351.db2.gz ONFJUEKBUACBAY-XHDPSFHLSA-N 1 1 286.400 3.968 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215027 1129843357 /nfs/dbraw/zinc/84/33/57/1129843357.db2.gz ONFJUEKBUACBAY-XHDPSFHLSA-N 1 1 286.400 3.968 20 30 CHEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000768409520 1129855293 /nfs/dbraw/zinc/85/52/93/1129855293.db2.gz ODCMHMYEOMIRKD-KRWDZBQOSA-N 1 1 291.435 3.602 20 30 CHEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000768417433 1129857459 /nfs/dbraw/zinc/85/74/59/1129857459.db2.gz OKESKCLSXGFGQK-CQSZACIVSA-N 1 1 285.412 3.953 20 30 CHEDMO C[C@H]([N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC000768543426 1129863113 /nfs/dbraw/zinc/86/31/13/1129863113.db2.gz JHASXOOLQJPLAK-HNNXBMFYSA-N 1 1 287.451 3.903 20 30 CHEDMO C=CCCCCC[N@H+](C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800346606 1129867109 /nfs/dbraw/zinc/86/71/09/1129867109.db2.gz ZYOVSFZSTBZTIS-UHFFFAOYSA-N 1 1 296.455 3.532 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CC1 ZINC000768672420 1129868108 /nfs/dbraw/zinc/86/81/08/1129868108.db2.gz DASUPFPRLBYESC-CQSZACIVSA-N 1 1 272.392 3.598 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCCc2ccccc2)c(C#N)c1 ZINC001137703042 1131403663 /nfs/dbraw/zinc/40/36/63/1131403663.db2.gz AXURAQJWYCAJAV-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO COc1ccc(C[N@H+](C)Cc2ccccc2C)c(C#N)c1 ZINC001137703303 1131403875 /nfs/dbraw/zinc/40/38/75/1131403875.db2.gz IUJFPOUNLHQTTP-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C)c(C#N)c1 ZINC001137703303 1131403879 /nfs/dbraw/zinc/40/38/79/1131403879.db2.gz IUJFPOUNLHQTTP-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000800481751 1129877773 /nfs/dbraw/zinc/87/77/73/1129877773.db2.gz ZPZZNSFTPFPLKJ-AWEZNQCLSA-N 1 1 283.371 3.759 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000768876039 1129877798 /nfs/dbraw/zinc/87/77/98/1129877798.db2.gz BXFSLSUOTOPUCM-HNNXBMFYSA-N 1 1 264.372 3.945 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000768876039 1129877801 /nfs/dbraw/zinc/87/78/01/1129877801.db2.gz BXFSLSUOTOPUCM-HNNXBMFYSA-N 1 1 264.372 3.945 20 30 CHEDMO CC[N@H+](Cc1cccs1)Cc1ccc(OC)cc1C#N ZINC001137706250 1131404521 /nfs/dbraw/zinc/40/45/21/1131404521.db2.gz UEPUVLIRSFRTEE-UHFFFAOYSA-N 1 1 286.400 3.650 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(OC)cc1C#N ZINC001137706250 1131404524 /nfs/dbraw/zinc/40/45/24/1131404524.db2.gz UEPUVLIRSFRTEE-UHFFFAOYSA-N 1 1 286.400 3.650 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)C(C)(C)CC)cc1 ZINC000769382858 1129905498 /nfs/dbraw/zinc/90/54/98/1129905498.db2.gz YDKXPAXVSWWDET-UHFFFAOYSA-N 1 1 259.393 3.709 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000769445073 1129907674 /nfs/dbraw/zinc/90/76/74/1129907674.db2.gz DJTUREIRKFBNEO-UHFFFAOYSA-N 1 1 283.847 3.814 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000769445073 1129907675 /nfs/dbraw/zinc/90/76/75/1129907675.db2.gz DJTUREIRKFBNEO-UHFFFAOYSA-N 1 1 283.847 3.814 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769542697 1129916235 /nfs/dbraw/zinc/91/62/35/1129916235.db2.gz AHPAFYFDABTCGQ-OAHLLOKOSA-N 1 1 285.435 3.657 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769542697 1129916237 /nfs/dbraw/zinc/91/62/37/1129916237.db2.gz AHPAFYFDABTCGQ-OAHLLOKOSA-N 1 1 285.435 3.657 20 30 CHEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000801600119 1129931953 /nfs/dbraw/zinc/93/19/53/1129931953.db2.gz CCCIJIGZFPWMQB-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000769963644 1129932010 /nfs/dbraw/zinc/93/20/10/1129932010.db2.gz ZNYICDMFFLYWJC-SECBINFHSA-N 1 1 286.600 3.556 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000769963644 1129932014 /nfs/dbraw/zinc/93/20/14/1129932014.db2.gz ZNYICDMFFLYWJC-SECBINFHSA-N 1 1 286.600 3.556 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC000769963513 1129932346 /nfs/dbraw/zinc/93/23/46/1129932346.db2.gz VGPVCEXBDCBEAZ-LBPRGKRZSA-N 1 1 269.310 3.592 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000769978412 1129934145 /nfs/dbraw/zinc/93/41/45/1129934145.db2.gz XYMNMJMPEPYTIR-VUDGCMKMSA-N 1 1 292.220 3.806 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1C[C@H]1c1ccccc1 ZINC000770349965 1129945876 /nfs/dbraw/zinc/94/58/76/1129945876.db2.gz OQHRVYGYCFDZPY-JKSUJKDBSA-N 1 1 268.385 3.608 20 30 CHEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H](CC)c1ccccc1 ZINC000801913208 1129958537 /nfs/dbraw/zinc/95/85/37/1129958537.db2.gz ABTITOILZGGVJD-WBVHZDCISA-N 1 1 274.408 3.778 20 30 CHEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801922657 1129959006 /nfs/dbraw/zinc/95/90/06/1129959006.db2.gz MUOCNVDWNGJLKA-NUJGCVRESA-N 1 1 286.419 3.697 20 30 CHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCO[C@H](C)C#N)o1 ZINC000801925423 1129959810 /nfs/dbraw/zinc/95/98/10/1129959810.db2.gz LXYCPECQFVZJEB-FMKPAKJESA-N 1 1 290.407 3.544 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000801930391 1129960664 /nfs/dbraw/zinc/96/06/64/1129960664.db2.gz OPTQHGQKPZCTSN-CHWSQXEVSA-N 1 1 292.810 3.794 20 30 CHEDMO C=CCC[N@H+](C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801948047 1129962652 /nfs/dbraw/zinc/96/26/52/1129962652.db2.gz MXOFJEOICXMUEL-HNNXBMFYSA-N 1 1 296.455 3.532 20 30 CHEDMO C=CC[N@@H+]([C@@H]1CCc2cccc(F)c2C1)C(C)(C)C ZINC001171004648 1131412707 /nfs/dbraw/zinc/41/27/07/1131412707.db2.gz IHTJHTMJWYXJRE-CQSZACIVSA-N 1 1 261.384 3.970 20 30 CHEDMO Clc1cscc1C[NH2+]CC#Cc1ccccc1 ZINC000771962783 1129998454 /nfs/dbraw/zinc/99/84/54/1129998454.db2.gz LWUOLTJKPSSGGN-UHFFFAOYSA-N 1 1 261.777 3.543 20 30 CHEDMO CCC(CC)[C@@H](CC/[NH+]=C/c1ccccc1O)OC ZINC000746522671 1130001860 /nfs/dbraw/zinc/00/18/60/1130001860.db2.gz PKNZJTVFDBKJHI-QRYYFKOISA-N 1 1 263.381 3.652 20 30 CHEDMO C[C@H]([N@@H+](C)Cc1cc(Cl)ccc1OCC#N)C1(C)CC1 ZINC000752355462 1130004455 /nfs/dbraw/zinc/00/44/55/1130004455.db2.gz CPKFLJKEMQNISZ-LBPRGKRZSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CCC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccco1 ZINC000902436581 1130010550 /nfs/dbraw/zinc/01/05/50/1130010550.db2.gz ZXQSKLIWJQLWQK-JFIYKMOQSA-N 1 1 282.387 3.501 20 30 CHEDMO C[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(C)(C)C ZINC000802641877 1130024483 /nfs/dbraw/zinc/02/44/83/1130024483.db2.gz JNDHKBOZYIZCFO-PBHICJAKSA-N 1 1 286.419 3.614 20 30 CHEDMO Cc1[nH+]ccn1CCSCc1cc(Cl)cc(C#N)c1 ZINC000902592198 1130029774 /nfs/dbraw/zinc/02/97/74/1130029774.db2.gz LKAJZSFQIUSKOV-UHFFFAOYSA-N 1 1 291.807 3.650 20 30 CHEDMO C#CC[N@@H+](Cc1ccsc1)[C@H]1CCc2ccccc21 ZINC000772598243 1130032281 /nfs/dbraw/zinc/03/22/81/1130032281.db2.gz JWVIPNCSGOPLDL-KRWDZBQOSA-N 1 1 267.397 3.871 20 30 CHEDMO C#CC[N@@H+](Cc1sccc1OC)[C@H]1CCc2ccccc21 ZINC000772596889 1130032377 /nfs/dbraw/zinc/03/23/77/1130032377.db2.gz BRYYUDOFZOWFAG-INIZCTEOSA-N 1 1 297.423 3.879 20 30 CHEDMO C#CC[N@H+](Cc1sccc1OC)[C@H]1CCc2ccccc21 ZINC000772596889 1130032382 /nfs/dbraw/zinc/03/23/82/1130032382.db2.gz BRYYUDOFZOWFAG-INIZCTEOSA-N 1 1 297.423 3.879 20 30 CHEDMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1F ZINC000902728725 1130046090 /nfs/dbraw/zinc/04/60/90/1130046090.db2.gz AJDCYWQAWXURGQ-RYUDHWBXSA-N 1 1 299.349 3.513 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1cc(C#N)ccn1 ZINC000902784193 1130056724 /nfs/dbraw/zinc/05/67/24/1130056724.db2.gz QAHFQNDOQYITTA-XJKSGUPXSA-N 1 1 293.370 3.518 20 30 CHEDMO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792799 1130059066 /nfs/dbraw/zinc/05/90/66/1130059066.db2.gz DKIKGEQTLBJICX-MJGOQNOKSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792799 1130059073 /nfs/dbraw/zinc/05/90/73/1130059073.db2.gz DKIKGEQTLBJICX-MJGOQNOKSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792799 1130059080 /nfs/dbraw/zinc/05/90/80/1130059080.db2.gz DKIKGEQTLBJICX-MJGOQNOKSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@@H](Nc1cc(C)cc[nH+]1)c1cccc(C#N)c1 ZINC000902898731 1130079761 /nfs/dbraw/zinc/07/97/61/1130079761.db2.gz UDQBKRBLJDPBDU-OAHLLOKOSA-N 1 1 251.333 3.825 20 30 CHEDMO CC[C@H](Nc1cc(C)cc[nH+]1)c1cccc(C#N)c1 ZINC000902898730 1130079995 /nfs/dbraw/zinc/07/99/95/1130079995.db2.gz UDQBKRBLJDPBDU-HNNXBMFYSA-N 1 1 251.333 3.825 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1nnc(C)s1)c1cccc(C#N)c1 ZINC000902951606 1130091070 /nfs/dbraw/zinc/09/10/70/1130091070.db2.gz OKSQHAWEWCPAGI-QMTHXVAHSA-N 1 1 286.404 3.520 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000903106033 1130113458 /nfs/dbraw/zinc/11/34/58/1130113458.db2.gz LLHPKWXGXFBJHD-VIFPVBQESA-N 1 1 269.175 3.948 20 30 CHEDMO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000903010393 1130100372 /nfs/dbraw/zinc/10/03/72/1130100372.db2.gz LEHSEFYEFPCLOM-RCBQFDQVSA-N 1 1 280.375 3.501 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cnc2ccsc2c1 ZINC000903030794 1130102102 /nfs/dbraw/zinc/10/21/02/1130102102.db2.gz GUZQHAGZXCERQG-NSHDSACASA-N 1 1 271.389 3.641 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1OC(F)(F)F ZINC000903031179 1130102183 /nfs/dbraw/zinc/10/21/83/1130102183.db2.gz JHDXHVFOEQJPEW-LLVKDONJSA-N 1 1 298.308 3.930 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000903106032 1130113816 /nfs/dbraw/zinc/11/38/16/1130113816.db2.gz LLHPKWXGXFBJHD-SECBINFHSA-N 1 1 269.175 3.948 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCCC1 ZINC000903108355 1130114303 /nfs/dbraw/zinc/11/43/03/1130114303.db2.gz AFJWPZHZPFQWPS-OAHLLOKOSA-N 1 1 288.366 3.713 20 30 CHEDMO CCC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccn1 ZINC000903108440 1130114346 /nfs/dbraw/zinc/11/43/46/1130114346.db2.gz CRLAVTPCBMAGSS-CQSZACIVSA-N 1 1 257.381 3.596 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc(F)c(F)c(F)c1 ZINC000903107768 1130114421 /nfs/dbraw/zinc/11/44/21/1130114421.db2.gz DPPQUSTVRFMVSH-SNVBAGLBSA-N 1 1 282.309 3.838 20 30 CHEDMO CCC[C@H]([NH2+]CC1(C#N)CCCC1)c1cccnc1 ZINC000903109012 1130114948 /nfs/dbraw/zinc/11/49/48/1130114948.db2.gz KFJPOHOGPJABCV-HNNXBMFYSA-N 1 1 257.381 3.596 20 30 CHEDMO N#CC1(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)CC1 ZINC000903110049 1130115904 /nfs/dbraw/zinc/11/59/04/1130115904.db2.gz ZIAXBQNEZMGKPX-GOSISDBHSA-N 1 1 291.398 3.649 20 30 CHEDMO Cc1oc2ccccc2c1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903263569 1130139284 /nfs/dbraw/zinc/13/92/84/1130139284.db2.gz OBIANTKXKXRKJK-SNVBAGLBSA-N 1 1 297.383 3.920 20 30 CHEDMO C=CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746673342 1130144533 /nfs/dbraw/zinc/14/45/33/1130144533.db2.gz QJMRZNFLWQQGBF-UHFFFAOYSA-N 1 1 280.755 3.646 20 30 CHEDMO CCCCCCCCCCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000787639511 1130157257 /nfs/dbraw/zinc/15/72/57/1130157257.db2.gz USLGKWKMTJAINR-CALCHBBNSA-N 1 1 294.483 3.537 20 30 CHEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1O ZINC000788803397 1130209282 /nfs/dbraw/zinc/20/92/82/1130209282.db2.gz SKYSRIVGFSCEQO-SNVBAGLBSA-N 1 1 298.308 3.755 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000749115858 1130265550 /nfs/dbraw/zinc/26/55/50/1130265550.db2.gz LGTJJQVOLNQZKZ-LBPRGKRZSA-N 1 1 277.239 3.832 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000749115858 1130265552 /nfs/dbraw/zinc/26/55/52/1130265552.db2.gz LGTJJQVOLNQZKZ-LBPRGKRZSA-N 1 1 277.239 3.832 20 30 CHEDMO Cc1ccnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001240385504 1130285413 /nfs/dbraw/zinc/28/54/13/1130285413.db2.gz WCHAERSFHPAUJM-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO Clc1cc(Cl)cc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000790202814 1130298241 /nfs/dbraw/zinc/29/82/41/1130298241.db2.gz ZMZCZKVWTMBCNV-ZDUSSCGKSA-N 1 1 284.190 3.629 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480510 1130312545 /nfs/dbraw/zinc/31/25/45/1130312545.db2.gz YOMGFXOELRGQKS-CABCVRRESA-N 1 1 282.387 3.809 20 30 CHEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000677478410 1130312583 /nfs/dbraw/zinc/31/25/83/1130312583.db2.gz XAAIJEHJTLULMO-IBGZPJMESA-N 1 1 281.399 3.722 20 30 CHEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000677478411 1130313040 /nfs/dbraw/zinc/31/30/40/1130313040.db2.gz XAAIJEHJTLULMO-LJQANCHMSA-N 1 1 281.399 3.722 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480514 1130313076 /nfs/dbraw/zinc/31/30/76/1130313076.db2.gz YOMGFXOELRGQKS-LSDHHAIUSA-N 1 1 282.387 3.809 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cnn(C)c1C ZINC000790446244 1130313927 /nfs/dbraw/zinc/31/39/27/1130313927.db2.gz ZKVAFMCOSZONPS-UHFFFAOYSA-N 1 1 251.418 3.521 20 30 CHEDMO SCc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240477861 1130323313 /nfs/dbraw/zinc/32/33/13/1130323313.db2.gz YQGKCICLKRKXIB-UHFFFAOYSA-N 1 1 299.439 3.616 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CC)Cc2ccoc2)c1 ZINC000678233381 1130373806 /nfs/dbraw/zinc/37/38/06/1130373806.db2.gz BLVVSIDVSJULKA-UHFFFAOYSA-N 1 1 271.360 3.867 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1nn(C)c2ccccc21 ZINC000678270825 1130386819 /nfs/dbraw/zinc/38/68/19/1130386819.db2.gz LAICCRNIOSDIAH-UHFFFAOYSA-N 1 1 271.408 3.752 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000792205597 1130439227 /nfs/dbraw/zinc/43/92/27/1130439227.db2.gz VOBFLASNAIZALZ-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C#CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)C1CCCC1 ZINC000792238562 1130439516 /nfs/dbraw/zinc/43/95/16/1130439516.db2.gz XDLIQDUELDXDKV-UHFFFAOYSA-N 1 1 293.414 3.559 20 30 CHEDMO CCC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1O ZINC000792230118 1130439607 /nfs/dbraw/zinc/43/96/07/1130439607.db2.gz AUHSPQYTKRTUAA-UHFFFAOYSA-N 1 1 279.383 3.656 20 30 CHEDMO C[C@@H]([NH2+]CC#Cc1ccccc1)c1nc2ccccc2s1 ZINC000792288907 1130441853 /nfs/dbraw/zinc/44/18/53/1130441853.db2.gz OUDNXHWVJMUDPR-CQSZACIVSA-N 1 1 292.407 3.999 20 30 CHEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000792265172 1130442627 /nfs/dbraw/zinc/44/26/27/1130442627.db2.gz ISYGKXLFMRHNML-KRWDZBQOSA-N 1 1 282.472 3.537 20 30 CHEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCO[C@@H](CC)C1 ZINC001170178083 1130454875 /nfs/dbraw/zinc/45/48/75/1130454875.db2.gz MUGUKVBXSUGOML-IRXDYDNUSA-N 1 1 284.488 3.565 20 30 CHEDMO CCCCCCCCN(CC[NH3+])[C@H]1CCO[C@@H](CC)C1 ZINC001170178083 1130454879 /nfs/dbraw/zinc/45/48/79/1130454879.db2.gz MUGUKVBXSUGOML-IRXDYDNUSA-N 1 1 284.488 3.565 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001170196344 1130461699 /nfs/dbraw/zinc/46/16/99/1130461699.db2.gz ZGELGGJGXKUUNP-RBUKOAKNSA-N 1 1 287.447 3.757 20 30 CHEDMO N#Cc1ccc(CNc2[nH+]ccc3cc(F)ccc32)s1 ZINC001170199784 1130462586 /nfs/dbraw/zinc/46/25/86/1130462586.db2.gz YERQGEWLMSHDQL-UHFFFAOYSA-N 1 1 283.331 3.919 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001170395746 1130487922 /nfs/dbraw/zinc/48/79/22/1130487922.db2.gz OLZVLKGMHNABGU-HPNWABTKSA-N 1 1 298.405 3.823 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccccc2C(F)(F)F)CC1 ZINC001255155681 1130496991 /nfs/dbraw/zinc/49/69/91/1130496991.db2.gz SNQGGECKLTUYSD-NSHDSACASA-N 1 1 282.309 3.976 20 30 CHEDMO C#CC[N@@H+](Cc1ccnn1C(C)C)[C@@H]1CCc2ccccc21 ZINC000792763609 1130497378 /nfs/dbraw/zinc/49/73/78/1130497378.db2.gz WECVFXCYTCWKIR-LJQANCHMSA-N 1 1 293.414 3.587 20 30 CHEDMO C#CC[N@H+](Cc1ccnn1C(C)C)[C@@H]1CCc2ccccc21 ZINC000792763609 1130497382 /nfs/dbraw/zinc/49/73/82/1130497382.db2.gz WECVFXCYTCWKIR-LJQANCHMSA-N 1 1 293.414 3.587 20 30 CHEDMO N#CCC[N@@H+](Cc1c[nH]c(=O)c2ccccc12)C1CCCC1 ZINC001233988056 1130594655 /nfs/dbraw/zinc/59/46/55/1130594655.db2.gz ITALWAJJVVIGMM-UHFFFAOYSA-N 1 1 295.386 3.599 20 30 CHEDMO N#CCC[N@H+](Cc1c[nH]c(=O)c2ccccc12)C1CCCC1 ZINC001233988056 1130594659 /nfs/dbraw/zinc/59/46/59/1130594659.db2.gz ITALWAJJVVIGMM-UHFFFAOYSA-N 1 1 295.386 3.599 20 30 CHEDMO C[N@H+]1CCCC(=NOc2ccccc2C(F)(F)F)CC1 ZINC000758120013 1130598021 /nfs/dbraw/zinc/59/80/21/1130598021.db2.gz QBZWXCFKYFGWIN-UHFFFAOYSA-N 1 1 286.297 3.556 20 30 CHEDMO CC(C)c1ncc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000758478751 1130614085 /nfs/dbraw/zinc/61/40/85/1130614085.db2.gz BKJLGLJHTAUADB-UHFFFAOYSA-N 1 1 289.379 3.567 20 30 CHEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCCC1 ZINC001170638820 1130624986 /nfs/dbraw/zinc/62/49/86/1130624986.db2.gz MLEJLDWPXRZJSH-QGZVFWFLSA-N 1 1 292.467 3.866 20 30 CHEDMO C#C[C@](C)(CC)Nc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC001158742000 1130625682 /nfs/dbraw/zinc/62/56/82/1130625682.db2.gz AEUCHDZXKALYAY-SJLPKXTDSA-N 1 1 285.435 3.842 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000759430076 1130657450 /nfs/dbraw/zinc/65/74/50/1130657450.db2.gz JRDUDYPUQSVLEF-INIZCTEOSA-N 1 1 263.429 3.836 20 30 CHEDMO C=CCCC(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000747771846 1130670365 /nfs/dbraw/zinc/67/03/65/1130670365.db2.gz HWMMROOIMUPYRB-GOSISDBHSA-N 1 1 287.403 3.551 20 30 CHEDMO Clc1cccc(N2CCCC2)c1C=[NH+]OC1CCC1 ZINC000812234885 1130674967 /nfs/dbraw/zinc/67/49/67/1130674967.db2.gz AGDNLKKXTNOQNM-UHFFFAOYSA-N 1 1 278.783 3.843 20 30 CHEDMO Cc1cccc(C(C)C)c1N[NH2+]C1=CC(=O)N2CCCC[C@@H]12 ZINC000812232667 1130675221 /nfs/dbraw/zinc/67/52/21/1130675221.db2.gz JWGSTFLTFJDQHZ-INIZCTEOSA-N 1 1 299.418 3.671 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235115858 1130711595 /nfs/dbraw/zinc/71/15/95/1130711595.db2.gz SBXFIEOAVOXNFG-GOSISDBHSA-N 1 1 296.499 3.582 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235140243 1130714260 /nfs/dbraw/zinc/71/42/60/1130714260.db2.gz HQESZTOWUZLVCK-UHFFFAOYSA-N 1 1 266.473 3.955 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(O)cc(OCC)c1 ZINC001235401488 1130739611 /nfs/dbraw/zinc/73/96/11/1130739611.db2.gz OYFFLHQYEIBNJB-UHFFFAOYSA-N 1 1 263.381 3.579 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1 ZINC000781930952 1130750366 /nfs/dbraw/zinc/75/03/66/1130750366.db2.gz ZXFBWMXQDICESZ-GPMSIDNRSA-N 1 1 298.430 3.990 20 30 CHEDMO Cc1cccc2c1C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235511031 1130750513 /nfs/dbraw/zinc/75/05/13/1130750513.db2.gz FHSDYVFPWIVUTK-UHFFFAOYSA-N 1 1 262.356 3.577 20 30 CHEDMO N#CCc1ccccc1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001235527492 1130752178 /nfs/dbraw/zinc/75/21/78/1130752178.db2.gz JBVFWEUXBOCQNB-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001235527492 1130752183 /nfs/dbraw/zinc/75/21/83/1130752183.db2.gz JBVFWEUXBOCQNB-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO C=C(Cl)C[N@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000782097360 1130754759 /nfs/dbraw/zinc/75/47/59/1130754759.db2.gz JHCNRBHCQFLARB-NWDGAFQWSA-N 1 1 265.784 3.755 20 30 CHEDMO C=C(Cl)C[N@@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000782097360 1130754764 /nfs/dbraw/zinc/75/47/64/1130754764.db2.gz JHCNRBHCQFLARB-NWDGAFQWSA-N 1 1 265.784 3.755 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC001235651141 1130763019 /nfs/dbraw/zinc/76/30/19/1130763019.db2.gz KUAUMBGKWMQVRO-NEPJUHHUSA-N 1 1 278.346 3.704 20 30 CHEDMO CCCCCCC/C=C/CN1CCC[C@@H](C[NH3+])C1 ZINC001235674312 1130765548 /nfs/dbraw/zinc/76/55/48/1130765548.db2.gz RPIQXVDVKMFJRQ-FDMDGMSGSA-N 1 1 252.446 3.574 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCNCC1(C)C ZINC001235822553 1130782274 /nfs/dbraw/zinc/78/22/74/1130782274.db2.gz LFQXFFOZQYPDMP-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCCCN1CC[NH2+]CC1(C)C ZINC001235822553 1130782277 /nfs/dbraw/zinc/78/22/77/1130782277.db2.gz LFQXFFOZQYPDMP-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCN(Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001235962707 1130819220 /nfs/dbraw/zinc/81/92/20/1130819220.db2.gz PLFSALYYIZFQMA-UHFFFAOYSA-N 1 1 298.455 3.582 20 30 CHEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000783572586 1130838666 /nfs/dbraw/zinc/83/86/66/1130838666.db2.gz KINXQRKPKIQNPH-UHFFFAOYSA-N 1 1 292.766 3.626 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc2c(c1)NCCC2 ZINC001236085234 1130854198 /nfs/dbraw/zinc/85/41/98/1130854198.db2.gz LOMFSWKROXWPIX-UHFFFAOYSA-N 1 1 258.409 3.833 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000784010846 1130867030 /nfs/dbraw/zinc/86/70/30/1130867030.db2.gz BHUDUZPNZJSJDY-GOSISDBHSA-N 1 1 280.371 3.671 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1F ZINC000784128597 1130881531 /nfs/dbraw/zinc/88/15/31/1130881531.db2.gz PRLSKWDEZMEYNI-UHFFFAOYSA-N 1 1 298.361 3.532 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000796696414 1130924219 /nfs/dbraw/zinc/92/42/19/1130924219.db2.gz RMXCAASBWWFVLG-INIZCTEOSA-N 1 1 284.334 3.644 20 30 CHEDMO C=CCCCCC[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236458682 1130946392 /nfs/dbraw/zinc/94/63/92/1130946392.db2.gz VPGBCAROCZCQTL-UHFFFAOYSA-N 1 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KJSZMHOTOJASBZ-QGZVFWFLSA-N 1 1 266.473 3.765 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(CNc2cccc(C3CC3)[nH+]2)cc1 ZINC000815144301 1130965682 /nfs/dbraw/zinc/96/56/82/1130965682.db2.gz YBUUMABOWSFHEO-ZDUSSCGKSA-N 1 1 293.370 3.862 20 30 CHEDMO CCCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000815196605 1130969738 /nfs/dbraw/zinc/96/97/38/1130969738.db2.gz QNVAQQGLBVOGIF-BZUAXINKSA-N 1 1 266.429 3.596 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1O ZINC001236834415 1131019142 /nfs/dbraw/zinc/01/91/42/1131019142.db2.gz YOMWYJPOIUBJFG-WVJCCSTMSA-N 1 1 292.382 3.812 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)c3ccccc23)C1 ZINC001138016991 1131021666 /nfs/dbraw/zinc/02/16/66/1131021666.db2.gz UJQQUAOLTFZQAC-INIZCTEOSA-N 1 1 263.384 3.993 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(Br)c1)CC(C)(C)C ZINC001236863770 1131026284 /nfs/dbraw/zinc/02/62/84/1131026284.db2.gz MWOYXVQCHSEMQX-UHFFFAOYSA-N 1 1 295.224 3.799 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1O ZINC001237139382 1131059082 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CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406280 1131606913 /nfs/dbraw/zinc/60/69/13/1131606913.db2.gz OZAWMZAFRQNQDW-GOSISDBHSA-N 1 1 291.398 3.995 20 30 CHEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423743 1131608172 /nfs/dbraw/zinc/60/81/72/1131608172.db2.gz HXISCFIROAVACO-CQSZACIVSA-N 1 1 293.370 3.730 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC001139556740 1131616740 /nfs/dbraw/zinc/61/67/40/1131616740.db2.gz NFARLVCYCMRTMU-UHFFFAOYSA-N 1 1 269.392 3.865 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC001139556740 1131616742 /nfs/dbraw/zinc/61/67/42/1131616742.db2.gz NFARLVCYCMRTMU-UHFFFAOYSA-N 1 1 269.392 3.865 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC001139556740 1131616744 /nfs/dbraw/zinc/61/67/44/1131616744.db2.gz NFARLVCYCMRTMU-UHFFFAOYSA-N 1 1 269.392 3.865 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001171171194 1131623719 /nfs/dbraw/zinc/62/37/19/1131623719.db2.gz VTMWOXJUCGUWAQ-FHWLQOOXSA-N 1 1 287.447 3.972 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139648585 1131627160 /nfs/dbraw/zinc/62/71/60/1131627160.db2.gz XVTSTHYTKGZBGL-MRXNPFEDSA-N 1 1 276.383 3.594 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001139690803 1131628492 /nfs/dbraw/zinc/62/84/92/1131628492.db2.gz KQMFGNCIIQBIIU-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO C[N@H+](Cc1cccc(Cl)c1C#N)CC1CC(F)(F)C1 ZINC001139691589 1131628568 /nfs/dbraw/zinc/62/85/68/1131628568.db2.gz AEOGAZOYAKBKMA-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001139692337 1131629635 /nfs/dbraw/zinc/62/96/35/1131629635.db2.gz WLVQCQWOMHLINK-MLGOLLRUSA-N 1 1 274.795 3.976 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC001139726632 1131632631 /nfs/dbraw/zinc/63/26/31/1131632631.db2.gz WYTIUONUYCAUEB-QGZVFWFLSA-N 1 1 294.373 3.995 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC001139730398 1131633017 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COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139876075 1131643093 /nfs/dbraw/zinc/64/30/93/1131643093.db2.gz KGGDJMGPLXLVOE-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1cc(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001144488604 1131644571 /nfs/dbraw/zinc/64/45/71/1131644571.db2.gz PRHIYFKPZQMHQS-UWEBFBLFSA-N 1 1 290.794 3.615 20 30 CHEDMO COc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001144488604 1131644574 /nfs/dbraw/zinc/64/45/74/1131644574.db2.gz PRHIYFKPZQMHQS-UWEBFBLFSA-N 1 1 290.794 3.615 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891896 1131648020 /nfs/dbraw/zinc/64/80/20/1131648020.db2.gz IQJJPUONXJKQBK-CQSZACIVSA-N 1 1 267.347 3.824 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(cnn2C)c1 ZINC001139952400 1131652677 /nfs/dbraw/zinc/65/26/77/1131652677.db2.gz KEMSFIHDCUEUIQ-UHFFFAOYSA-N 1 1 291.398 3.762 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)CCCc2cccc(OC)c2)cc1 ZINC001144578720 1131660805 /nfs/dbraw/zinc/66/08/05/1131660805.db2.gz KRJRANVVNUZSOM-UHFFFAOYSA-N 1 1 293.410 3.741 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(Cl)c1OC ZINC001140062314 1131661063 /nfs/dbraw/zinc/66/10/63/1131661063.db2.gz RYINPUCQBMBBOT-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)cc1 ZINC001144578435 1131661338 /nfs/dbraw/zinc/66/13/38/1131661338.db2.gz CDNGENKIDLQDPR-MRXNPFEDSA-N 1 1 293.410 3.740 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2OC)cc1 ZINC001144576592 1131661712 /nfs/dbraw/zinc/66/17/12/1131661712.db2.gz OEGMSVNWFNERFV-HNNXBMFYSA-N 1 1 279.383 3.870 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(C)c(Br)cc1F ZINC001144589038 1131662209 /nfs/dbraw/zinc/66/22/09/1131662209.db2.gz WDGVCBBBUOEESV-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(C)c(Br)cc1F ZINC001144589038 1131662210 /nfs/dbraw/zinc/66/22/10/1131662210.db2.gz WDGVCBBBUOEESV-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO C=CC[N@@H+](Cc1c(O)cccc1Br)C(C)(C)C ZINC001140103937 1131663677 /nfs/dbraw/zinc/66/36/77/1131663677.db2.gz UYACCGSNZXORQA-UHFFFAOYSA-N 1 1 298.224 3.941 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140109917 1131664154 /nfs/dbraw/zinc/66/41/54/1131664154.db2.gz AGPONNFBBMSCCF-CYBMUJFWSA-N 1 1 267.376 3.662 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140113755 1131665440 /nfs/dbraw/zinc/66/54/40/1131665440.db2.gz CLBGNISXBANROF-CYBMUJFWSA-N 1 1 267.376 3.804 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(F)c1 ZINC001140140318 1131666637 /nfs/dbraw/zinc/66/66/37/1131666637.db2.gz QMAYMIBVUQDOJA-UHFFFAOYSA-N 1 1 290.357 3.802 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)no1 ZINC001171204702 1131678398 /nfs/dbraw/zinc/67/83/98/1131678398.db2.gz ZUMNHDGOQFDKKG-UGSOOPFHSA-N 1 1 295.386 3.623 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CSCCc3ccccc32)CCCC1 ZINC000846011332 1131678451 /nfs/dbraw/zinc/67/84/51/1131678451.db2.gz SEEYMYPGJQRMOA-INIZCTEOSA-N 1 1 286.444 3.691 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001144689973 1131685159 /nfs/dbraw/zinc/68/51/59/1131685159.db2.gz RZCYMNABNVSMKW-UHFFFAOYSA-N 1 1 274.589 3.720 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC001171210075 1131685558 /nfs/dbraw/zinc/68/55/58/1131685558.db2.gz PXRLWJUCRDSXQQ-CYBMUJFWSA-N 1 1 282.412 3.609 20 30 CHEDMO CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C#N)CC3)c2c1 ZINC001140271388 1131686611 /nfs/dbraw/zinc/68/66/11/1131686611.db2.gz DGIDRCTWIDCQEU-CQSZACIVSA-N 1 1 297.402 3.692 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccs1 ZINC001171221563 1131705475 /nfs/dbraw/zinc/70/54/75/1131705475.db2.gz PCKNEWOUODNLTC-AWEZNQCLSA-N 1 1 284.428 3.725 20 30 CHEDMO CCCCCCCC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000772948029 1131719851 /nfs/dbraw/zinc/71/98/51/1131719851.db2.gz DHVCHRFBBCZGDN-HZPDHXFCSA-N 1 1 254.462 3.667 20 30 CHEDMO CC[N@@H+](CCNc1ccc(C#N)cc1C)CCC(F)(F)F ZINC000846753050 1131731710 /nfs/dbraw/zinc/73/17/10/1131731710.db2.gz ZVDBSXHKWSRAHH-UHFFFAOYSA-N 1 1 299.340 3.553 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140436612 1131737148 /nfs/dbraw/zinc/73/71/48/1131737148.db2.gz JFSPLQIHUGNFPL-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453905 1131744939 /nfs/dbraw/zinc/74/49/39/1131744939.db2.gz QSGDLXFGPRMHIM-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000847034503 1131772363 /nfs/dbraw/zinc/77/23/63/1131772363.db2.gz VOBGZWFRQGVMGO-UHFFFAOYSA-N 1 1 280.799 3.863 20 30 CHEDMO C=CC[C@H](C)[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001171268165 1131781771 /nfs/dbraw/zinc/78/17/71/1131781771.db2.gz WVJHAAIUFYKEBE-ZDUSSCGKSA-N 1 1 275.392 3.633 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140542408 1131785078 /nfs/dbraw/zinc/78/50/78/1131785078.db2.gz BMXBXEFESDJHPL-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140541831 1131785979 /nfs/dbraw/zinc/78/59/79/1131785979.db2.gz VLSNJHIALTVJCT-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cn1 ZINC001140546481 1131788415 /nfs/dbraw/zinc/78/84/15/1131788415.db2.gz KVCJAJNSPBETGO-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cn1 ZINC001140546481 1131788422 /nfs/dbraw/zinc/78/84/22/1131788422.db2.gz KVCJAJNSPBETGO-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001140600886 1131820591 /nfs/dbraw/zinc/82/05/91/1131820591.db2.gz ZDLRMPBUDWRVIZ-YPMHNXCESA-N 1 1 296.748 3.689 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC001140601282 1131821299 /nfs/dbraw/zinc/82/12/99/1131821299.db2.gz LOXVCVDRDPNUOC-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO C[N@H+](Cc1cccs1)Cc1cc(C#N)ccc1Cl ZINC001140601365 1131822752 /nfs/dbraw/zinc/82/27/52/1131822752.db2.gz OYVDPSVQKJZKNL-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO C[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1Cl ZINC001140601365 1131822757 /nfs/dbraw/zinc/82/27/57/1131822757.db2.gz OYVDPSVQKJZKNL-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C(=O)OCC)[nH]1)C1CCCCC1 ZINC001140689895 1131862967 /nfs/dbraw/zinc/86/29/67/1131862967.db2.gz UGTBMNUAPDFPNZ-UHFFFAOYSA-N 1 1 290.407 3.512 20 30 CHEDMO C=CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000348106731 1131881692 /nfs/dbraw/zinc/88/16/92/1131881692.db2.gz ICYAUXMVPGUTFF-MRXNPFEDSA-N 1 1 285.366 3.929 20 30 CHEDMO C=CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000348106731 1131881701 /nfs/dbraw/zinc/88/17/01/1131881701.db2.gz ICYAUXMVPGUTFF-MRXNPFEDSA-N 1 1 285.366 3.929 20 30 CHEDMO C=C(C)C[N@@H+](CCn1nc(C)cc1C)Cc1ccccc1 ZINC000348221521 1131904175 /nfs/dbraw/zinc/90/41/75/1131904175.db2.gz DQXUOFGZTUMDPD-UHFFFAOYSA-N 1 1 283.419 3.578 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000773006194 1131918254 /nfs/dbraw/zinc/91/82/54/1131918254.db2.gz VRJIOBVVGUZJRO-LBPRGKRZSA-N 1 1 272.175 3.896 20 30 CHEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC001171372652 1131920557 /nfs/dbraw/zinc/92/05/57/1131920557.db2.gz LZMKCNPTPPLJNX-GFCCVEGCSA-N 1 1 294.358 3.696 20 30 CHEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1Cl ZINC001140812291 1131931745 /nfs/dbraw/zinc/93/17/45/1131931745.db2.gz SUROFEFUGPYGDA-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1Cl ZINC001140812291 1131931747 /nfs/dbraw/zinc/93/17/47/1131931747.db2.gz SUROFEFUGPYGDA-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1Cl ZINC001140808499 1131933091 /nfs/dbraw/zinc/93/30/91/1131933091.db2.gz UAVPZINVDMSQMV-INIZCTEOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1Cl ZINC001140808499 1131933094 /nfs/dbraw/zinc/93/30/94/1131933094.db2.gz UAVPZINVDMSQMV-INIZCTEOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCC3)C2)c1Cl ZINC001140814073 1131934162 /nfs/dbraw/zinc/93/41/62/1131934162.db2.gz BJKHFXOEWIDNGL-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO C=C[C@H](Oc1ccc2c(c1)CC[N@H+](C)C2)c1ccccc1 ZINC001228943283 1131984135 /nfs/dbraw/zinc/98/41/35/1131984135.db2.gz DXBHJOADRTYGNM-IBGZPJMESA-N 1 1 279.383 3.981 20 30 CHEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228969053 1131988192 /nfs/dbraw/zinc/98/81/92/1131988192.db2.gz XSLKAYCHKUGFSV-GOSISDBHSA-N 1 1 280.371 3.573 20 30 CHEDMO C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)CC1 ZINC001228996224 1131995467 /nfs/dbraw/zinc/99/54/67/1131995467.db2.gz MNWYSELLEMCTKK-HNNXBMFYSA-N 1 1 286.419 3.719 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001141166525 1132032269 /nfs/dbraw/zinc/03/22/69/1132032269.db2.gz SWFGLHPDADQGOF-GUYCJALGSA-N 1 1 272.367 3.852 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001141164087 1132033361 /nfs/dbraw/zinc/03/33/61/1132033361.db2.gz JKUYJGVVZSIOQY-UHFFFAOYSA-N 1 1 294.320 3.709 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(-c2ncccn2)cc1 ZINC001141188003 1132037165 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CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](CO)C1 ZINC001172359108 1132186832 /nfs/dbraw/zinc/18/68/32/1132186832.db2.gz UJFVOJMBZUANNZ-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839184724 1132188081 /nfs/dbraw/zinc/18/80/81/1132188081.db2.gz NPJYFTVEARFFAS-FUHWJXTLSA-N 1 1 298.430 3.922 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839184726 1132188378 /nfs/dbraw/zinc/18/83/78/1132188378.db2.gz NPJYFTVEARFFAS-SJLPKXTDSA-N 1 1 298.430 3.922 20 30 CHEDMO C[C@H](CCC#N)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000839537276 1132221568 /nfs/dbraw/zinc/22/15/68/1132221568.db2.gz WLNTZJHHKVGWHV-GFCCVEGCSA-N 1 1 275.783 3.516 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H](c3ccccn3)C2)CCCCC1 ZINC000839592161 1132225297 /nfs/dbraw/zinc/22/52/97/1132225297.db2.gz GHPWRYBBEUDBRO-MRXNPFEDSA-N 1 1 283.419 3.735 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839652076 1132228696 /nfs/dbraw/zinc/22/86/96/1132228696.db2.gz 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CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001172510720 1132258140 /nfs/dbraw/zinc/25/81/40/1132258140.db2.gz IBBLFVIREWLXRE-YESZJQIVSA-N 1 1 294.483 3.584 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+]1CCn2c(C)nnc2C1 ZINC001172511517 1132258852 /nfs/dbraw/zinc/25/88/52/1132258852.db2.gz SDKDJMGEDVMCFL-MRXNPFEDSA-N 1 1 292.471 3.931 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCn2c(C)nnc2C1 ZINC001172511517 1132258859 /nfs/dbraw/zinc/25/88/59/1132258859.db2.gz SDKDJMGEDVMCFL-MRXNPFEDSA-N 1 1 292.471 3.931 20 30 CHEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566919 1132272408 /nfs/dbraw/zinc/27/24/08/1132272408.db2.gz ALMPDEGMZGEOPV-BRWVUGGUSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)CCC#N ZINC001172569031 1132272802 /nfs/dbraw/zinc/27/28/02/1132272802.db2.gz CMDDLPJVHAUNLC-SNVBAGLBSA-N 1 1 286.753 3.785 20 30 CHEDMO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)CCC#N ZINC001172569031 1132272808 /nfs/dbraw/zinc/27/28/08/1132272808.db2.gz CMDDLPJVHAUNLC-SNVBAGLBSA-N 1 1 286.753 3.785 20 30 CHEDMO CC1(C)CC([N@H+]2CCc3cc(C#N)ccc3C2)CC(C)(C)O1 ZINC001172656435 1132288901 /nfs/dbraw/zinc/28/89/01/1132288901.db2.gz MARNGUQHCBKOPR-UHFFFAOYSA-N 1 1 298.430 3.653 20 30 CHEDMO CCCC[N@@H+](CCC#N)C1CC(C)(C)OC(C)(C)C1 ZINC001172657402 1132291388 /nfs/dbraw/zinc/29/13/88/1132291388.db2.gz AESOBBBKEKAPPA-UHFFFAOYSA-N 1 1 266.429 3.738 20 30 CHEDMO C=CC[NH+]1CCN(Cc2ccc(-c3cccs3)cc2)CC1 ZINC001231432381 1132294478 /nfs/dbraw/zinc/29/44/78/1132294478.db2.gz MPHFQFPOXFTCKC-UHFFFAOYSA-N 1 1 298.455 3.719 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]c2cccnc12)C1CCCCC1 ZINC001231492515 1132303942 /nfs/dbraw/zinc/30/39/42/1132303942.db2.gz AOPNBJRPAZACGZ-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO CCc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001231500560 1132305577 /nfs/dbraw/zinc/30/55/77/1132305577.db2.gz XUERUCJVYBYTIB-UHFFFAOYSA-N 1 1 282.412 3.740 20 30 CHEDMO C=CC[N@H+]([C@@H](C)CCC(=O)OC(C)C)C1CCCCC1 ZINC001172763037 1132311959 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ZINC000293668379 263146229 /nfs/dbraw/zinc/14/62/29/263146229.db2.gz UPUQHJCZYYBVHH-SCRDCRAPSA-N 1 1 260.406 3.823 20 30 CHEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000293668377 263146353 /nfs/dbraw/zinc/14/63/53/263146353.db2.gz UPUQHJCZYYBVHH-OUCADQQQSA-N 1 1 260.406 3.823 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CC[C@H](C#N)C1 ZINC000293661983 263146393 /nfs/dbraw/zinc/14/63/93/263146393.db2.gz YUMQKUTXBXPNRJ-VHSXEESVSA-N 1 1 254.786 3.526 20 30 CHEDMO CCOc1ccc(C2=CC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293715991 263147672 /nfs/dbraw/zinc/14/76/72/263147672.db2.gz FFNUANAALDWXHS-QAPCUYQASA-N 1 1 296.414 3.867 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295945353 263184031 /nfs/dbraw/zinc/18/40/31/263184031.db2.gz LLUUVDFADNNLEH-QGZVFWFLSA-N 1 1 285.435 3.981 20 30 CHEDMO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CCC#N ZINC000298842300 263227099 /nfs/dbraw/zinc/22/70/99/263227099.db2.gz ICQRRSBGFMAINB-HNNXBMFYSA-N 1 1 260.381 3.676 20 30 CHEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC#N ZINC000298890163 263227443 /nfs/dbraw/zinc/22/74/43/263227443.db2.gz LDEFVIDFGDFBMT-NSHDSACASA-N 1 1 271.389 3.683 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)[C@H](C)CCC#N)c1 ZINC000299563576 263247622 /nfs/dbraw/zinc/24/76/22/263247622.db2.gz GVDFZZDTDVDRND-CQSZACIVSA-N 1 1 260.381 3.598 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1nc2cccnc2s1 ZINC000341572180 263341815 /nfs/dbraw/zinc/34/18/15/263341815.db2.gz BNJIKENHMWBQEY-UHFFFAOYSA-N 1 1 275.421 3.870 20 30 CHEDMO CC(C)Cn1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425364867 264211079 /nfs/dbraw/zinc/21/10/79/264211079.db2.gz HRNDSORKZQRADI-HNNXBMFYSA-N 1 1 296.418 3.604 20 30 CHEDMO COc1ccc(F)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365017 264211384 /nfs/dbraw/zinc/21/13/84/264211384.db2.gz IMIYSYQAISTBPU-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc(F)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365017 264211387 /nfs/dbraw/zinc/21/13/87/264211387.db2.gz IMIYSYQAISTBPU-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO C=CCC[N@H+](C)Cc1cccc(Cl)c1OCC ZINC000425956452 264225526 /nfs/dbraw/zinc/22/55/26/264225526.db2.gz DFNDVVGKZSJUDT-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCSC2)CCCC1(C)C ZINC000425997185 264303380 /nfs/dbraw/zinc/30/33/80/264303380.db2.gz WJNHTTHDOBOOJF-KGLIPLIRSA-N 1 1 253.455 3.806 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000356216006 266073944 /nfs/dbraw/zinc/07/39/44/266073944.db2.gz KOSGMZNSPCFFGE-HNNXBMFYSA-N 1 1 297.427 3.784 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000356216006 266073948 /nfs/dbraw/zinc/07/39/48/266073948.db2.gz KOSGMZNSPCFFGE-HNNXBMFYSA-N 1 1 297.427 3.784 20 30 CHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356429326 266112276 /nfs/dbraw/zinc/11/22/76/266112276.db2.gz QBXSMBOTXBPSNT-UKRRQHHQSA-N 1 1 297.427 3.701 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC12CCC2 ZINC000357059813 266240032 /nfs/dbraw/zinc/24/00/32/266240032.db2.gz AXUVYUZGPOHMAC-ZDUSSCGKSA-N 1 1 272.367 3.709 20 30 CHEDMO C=CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC1 ZINC000357552124 266321150 /nfs/dbraw/zinc/32/11/50/266321150.db2.gz KINJLWKELXOTGM-UHFFFAOYSA-N 1 1 272.323 3.631 20 30 CHEDMO C=CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC1 ZINC000357552124 266321153 /nfs/dbraw/zinc/32/11/53/266321153.db2.gz KINJLWKELXOTGM-UHFFFAOYSA-N 1 1 272.323 3.631 20 30 CHEDMO CC1(C)CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000357810424 266369341 /nfs/dbraw/zinc/36/93/41/266369341.db2.gz SAQDPKRYBRNCPD-UHFFFAOYSA-N 1 1 281.403 3.823 20 30 CHEDMO Cc1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)ccc1C#N ZINC000362924155 267061378 /nfs/dbraw/zinc/06/13/78/267061378.db2.gz NLTQMQOWWUACMO-CYBMUJFWSA-N 1 1 254.377 3.630 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000369233143 267228638 /nfs/dbraw/zinc/22/86/38/267228638.db2.gz YKYZCVOJTJRYCS-OAHLLOKOSA-N 1 1 264.319 3.796 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119176738 267305138 /nfs/dbraw/zinc/30/51/38/267305138.db2.gz PCZPLEBMTYBKHV-UHFFFAOYSA-N 1 1 284.407 3.715 20 30 CHEDMO C[C@H]1[C@@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000418133746 267359036 /nfs/dbraw/zinc/35/90/36/267359036.db2.gz NVXIWBQKGZPEFF-BZUAXINKSA-N 1 1 286.419 3.845 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000377253787 268060172 /nfs/dbraw/zinc/06/01/72/268060172.db2.gz UOBPXXPZXWWBPT-QGZVFWFLSA-N 1 1 298.411 3.502 20 30 CHEDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000377253787 268060175 /nfs/dbraw/zinc/06/01/75/268060175.db2.gz UOBPXXPZXWWBPT-QGZVFWFLSA-N 1 1 298.411 3.502 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000347173319 533698881 /nfs/dbraw/zinc/69/88/81/533698881.db2.gz SLQJREODBICTRY-BEFAXECRSA-N 1 1 291.398 3.731 20 30 CHEDMO CC1(C)CC[C@@H]2C[C@@H]([NH2+]CCC#N)c3cccc1c32 ZINC000580184638 327724155 /nfs/dbraw/zinc/72/41/55/327724155.db2.gz LYUBJLAKXKLBKE-IUODEOHRSA-N 1 1 254.377 3.790 20 30 CHEDMO Cc1cc(CNc2cccc(C3CC3)[nH+]2)ccc1C#N ZINC000339430000 328010445 /nfs/dbraw/zinc/01/04/45/328010445.db2.gz YITTYJWWJYBGES-UHFFFAOYSA-N 1 1 263.344 3.751 20 30 CHEDMO N#Cc1cccc(OCCNc2cccc3cc[nH+]cc32)c1 ZINC000531522513 328014086 /nfs/dbraw/zinc/01/40/86/328014086.db2.gz KDLDNCVCNMHIBI-UHFFFAOYSA-N 1 1 289.338 3.597 20 30 CHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1C#N ZINC000563662406 328082371 /nfs/dbraw/zinc/08/23/71/328082371.db2.gz DLIPBDKATIJCOV-UHFFFAOYSA-N 1 1 295.430 3.826 20 30 CHEDMO N#CC1(CC[N@H+]2CCOC[C@H](C3CCC3)C2)CCCCC1 ZINC000411761678 328098963 /nfs/dbraw/zinc/09/89/63/328098963.db2.gz VSFOBUPXACWCFT-QGZVFWFLSA-N 1 1 290.451 3.599 20 30 CHEDMO CCc1ccc([C@H]2CC[N@H+]([C@@H](C)CCC#N)C2)cc1 ZINC000411760911 328098966 /nfs/dbraw/zinc/09/89/66/328098966.db2.gz TUOJGYCPGLLORM-YOEHRIQHSA-N 1 1 256.393 3.731 20 30 CHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000264912312 328162947 /nfs/dbraw/zinc/16/29/47/328162947.db2.gz ZMYDADQPMGONJA-QGZVFWFLSA-N 1 1 299.393 3.524 20 30 CHEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cncs1 ZINC000271511742 328196560 /nfs/dbraw/zinc/19/65/60/328196560.db2.gz NVTBOXJIAPAFRJ-JSGCOSHPSA-N 1 1 271.389 3.839 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+](CCCO)Cc1ccccc1 ZINC000277737415 328222322 /nfs/dbraw/zinc/22/23/22/328222322.db2.gz OPKFECXKIZNPCV-UHFFFAOYSA-N 1 1 288.435 3.591 20 30 CHEDMO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278534061 328226361 /nfs/dbraw/zinc/22/63/61/328226361.db2.gz FNAHFPIWEAILRY-DGCLKSJQSA-N 1 1 298.308 3.709 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000278553777 328227145 /nfs/dbraw/zinc/22/71/45/328227145.db2.gz HQTFVJXEOVYAGA-SZMVWBNQSA-N 1 1 268.404 3.732 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459332698 329210692 /nfs/dbraw/zinc/21/06/92/329210692.db2.gz YWRVJYIBBPDQCN-KGLIPLIRSA-N 1 1 256.393 3.718 20 30 CHEDMO C[C@@H]([NH2+]CCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000278900027 328232014 /nfs/dbraw/zinc/23/20/14/328232014.db2.gz JQXYJIIYNCTYOZ-MRVPVSSYSA-N 1 1 291.342 3.752 20 30 CHEDMO C[N@@H+](Cc1cc(Br)cs1)[C@H]1CC[C@@H](C#N)C1 ZINC000293601895 328276977 /nfs/dbraw/zinc/27/69/77/328276977.db2.gz VCLRVWMKNCVEFL-KOLCDFICSA-N 1 1 299.237 3.635 20 30 CHEDMO C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293601898 328277066 /nfs/dbraw/zinc/27/70/66/328277066.db2.gz VCLRVWMKNCVEFL-MWLCHTKSSA-N 1 1 299.237 3.635 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000121133499 328365039 /nfs/dbraw/zinc/36/50/39/328365039.db2.gz VJZZKPDLNCRHLM-UHFFFAOYSA-N 1 1 256.349 3.740 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000191448732 328509669 /nfs/dbraw/zinc/50/96/69/328509669.db2.gz JEXXTQOZPNBJOS-QGZVFWFLSA-N 1 1 298.434 3.830 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000049525848 326974247 /nfs/dbraw/zinc/97/42/47/326974247.db2.gz OAEBAXFGVIVVQU-MFKMUULPSA-N 1 1 281.197 3.792 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000558108754 327074186 /nfs/dbraw/zinc/07/41/86/327074186.db2.gz GXBFWXOEMWHTGL-KRWDZBQOSA-N 1 1 274.383 3.729 20 30 CHEDMO C[C@H](C#N)C[N@H+](CCc1ccc(F)cc1Cl)C1CC1 ZINC000558566451 327105735 /nfs/dbraw/zinc/10/57/35/327105735.db2.gz HCTYCMDYOSPOSN-LLVKDONJSA-N 1 1 280.774 3.646 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CCc1ccc(F)cc1Cl)C1CC1 ZINC000558566451 327105736 /nfs/dbraw/zinc/10/57/36/327105736.db2.gz HCTYCMDYOSPOSN-LLVKDONJSA-N 1 1 280.774 3.646 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000074982072 327122813 /nfs/dbraw/zinc/12/28/13/327122813.db2.gz LPJNPRZCCCEGDA-MRXNPFEDSA-N 1 1 274.433 3.779 20 30 CHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCC#N ZINC000076732853 327130758 /nfs/dbraw/zinc/13/07/58/327130758.db2.gz LJYZODKGNHKTDJ-GFCCVEGCSA-N 1 1 250.773 3.507 20 30 CHEDMO C[N@@H+](CCCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000091955733 327187909 /nfs/dbraw/zinc/18/79/09/327187909.db2.gz ZFHLQOCWRZAKJL-UHFFFAOYSA-N 1 1 268.360 3.606 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000092224284 327190536 /nfs/dbraw/zinc/19/05/36/327190536.db2.gz RRPRKHGVWJOZGS-KRWDZBQOSA-N 1 1 295.386 3.545 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1c1ccccc1 ZINC000093668239 327199244 /nfs/dbraw/zinc/19/92/44/327199244.db2.gz QWHLRCBTQYTSIO-KDOFPFPSSA-N 1 1 280.371 3.777 20 30 CHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCC#N ZINC000102396808 327226827 /nfs/dbraw/zinc/22/68/27/327226827.db2.gz KOQJGGNPCNLMQJ-LLVKDONJSA-N 1 1 252.308 3.651 20 30 CHEDMO C[N@H+](Cc1cc(C#N)ccc1F)CC1CCCCC1 ZINC000042340343 327237594 /nfs/dbraw/zinc/23/75/94/327237594.db2.gz KVAYLJNWSKNPJN-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C=C(C)CC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000559450612 327245560 /nfs/dbraw/zinc/24/55/60/327245560.db2.gz SAHXJPHAGCVOFY-UHFFFAOYSA-N 1 1 265.784 3.673 20 30 CHEDMO C=CC[N@@H+](Cc1cnn(CCC)c1)Cc1cccs1 ZINC000119936902 327296004 /nfs/dbraw/zinc/29/60/04/327296004.db2.gz UDSMZRQJCXHDMX-UHFFFAOYSA-N 1 1 275.421 3.543 20 30 CHEDMO C=CC[N@H+](Cc1cnn(CCC)c1)Cc1cccs1 ZINC000119936902 327296005 /nfs/dbraw/zinc/29/60/05/327296005.db2.gz UDSMZRQJCXHDMX-UHFFFAOYSA-N 1 1 275.421 3.543 20 30 CHEDMO Cn1cc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1C#N ZINC000560569701 327325579 /nfs/dbraw/zinc/32/55/79/327325579.db2.gz PQAXTQFAWXGUTD-HNNXBMFYSA-N 1 1 299.805 3.540 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000560581159 327327618 /nfs/dbraw/zinc/32/76/18/327327618.db2.gz FQEAFYUQTGNVQV-ZDUSSCGKSA-N 1 1 298.377 3.907 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000583413838 327351247 /nfs/dbraw/zinc/35/12/47/327351247.db2.gz ZYYXJRQRRLFPAU-LLVKDONJSA-N 1 1 299.340 3.719 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cscc1C(F)(F)F ZINC000356416014 328862225 /nfs/dbraw/zinc/86/22/25/328862225.db2.gz POZMYMQWHIRXPT-VIFPVBQESA-N 1 1 262.300 3.549 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377784818 329029390 /nfs/dbraw/zinc/02/93/90/329029390.db2.gz PXFASWWIHNJGCP-CVEARBPZSA-N 1 1 290.451 3.740 20 30 CHEDMO N#CCSCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000377892800 329033735 /nfs/dbraw/zinc/03/37/35/329033735.db2.gz DOSDXSHJGBEOKG-QGZVFWFLSA-N 1 1 288.460 3.588 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000393542600 329087399 /nfs/dbraw/zinc/08/73/99/329087399.db2.gz FNNCRSNPACNYDH-GOEBONIOSA-N 1 1 272.367 3.708 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@@H]2CCC[C@@H]21 ZINC000394462635 329116798 /nfs/dbraw/zinc/11/67/98/329116798.db2.gz WEPFBHMTCQNSOV-LSDHHAIUSA-N 1 1 272.367 3.708 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@H]2CCC[C@H]21 ZINC000394462628 329116961 /nfs/dbraw/zinc/11/69/61/329116961.db2.gz WEPFBHMTCQNSOV-CABCVRRESA-N 1 1 272.367 3.708 20 30 CHEDMO C[C@H](c1ccco1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177060061 329180244 /nfs/dbraw/zinc/18/02/44/329180244.db2.gz TWMFGDSJELGLMD-CYBMUJFWSA-N 1 1 273.763 3.978 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177060061 329180246 /nfs/dbraw/zinc/18/02/46/329180246.db2.gz TWMFGDSJELGLMD-CYBMUJFWSA-N 1 1 273.763 3.978 20 30 CHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccccc2Cl)CC1 ZINC000177313455 329185988 /nfs/dbraw/zinc/18/59/88/329185988.db2.gz ZJZQRWNDSGGEEL-ZDUSSCGKSA-N 1 1 278.827 3.641 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000179910663 329213458 /nfs/dbraw/zinc/21/34/58/329213458.db2.gz DYIPJDKMNXMIHG-GFCCVEGCSA-N 1 1 268.385 3.567 20 30 CHEDMO Cc1cccc(C2=CC[N@H+](Cc3ccc(C#N)o3)CC2)c1 ZINC000180780507 329223003 /nfs/dbraw/zinc/22/30/03/329223003.db2.gz DFWYANSTTNYGIE-UHFFFAOYSA-N 1 1 278.355 3.749 20 30 CHEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)o3)CC2)c1 ZINC000180780507 329223004 /nfs/dbraw/zinc/22/30/04/329223004.db2.gz DFWYANSTTNYGIE-UHFFFAOYSA-N 1 1 278.355 3.749 20 30 CHEDMO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000180912285 329223906 /nfs/dbraw/zinc/22/39/06/329223906.db2.gz LDWHNYZRHYGIFO-CYBMUJFWSA-N 1 1 291.354 3.892 20 30 CHEDMO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000180912285 329223907 /nfs/dbraw/zinc/22/39/07/329223907.db2.gz LDWHNYZRHYGIFO-CYBMUJFWSA-N 1 1 291.354 3.892 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000181044451 329225471 /nfs/dbraw/zinc/22/54/71/329225471.db2.gz ITALXUOLTYXSRU-UHFFFAOYSA-N 1 1 287.382 3.636 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(F)c1 ZINC000186197246 329339287 /nfs/dbraw/zinc/33/92/87/329339287.db2.gz FSTAJQOIVGMPME-UHFFFAOYSA-N 1 1 296.345 3.591 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(F)c1 ZINC000186197246 329339288 /nfs/dbraw/zinc/33/92/88/329339288.db2.gz FSTAJQOIVGMPME-UHFFFAOYSA-N 1 1 296.345 3.591 20 30 CHEDMO C=C(C)[C@H]([NH2+]Cc1ccncc1)c1ccc(F)c(F)c1 ZINC000187372422 329356988 /nfs/dbraw/zinc/35/69/88/329356988.db2.gz AUSVHEONZYDXAF-INIZCTEOSA-N 1 1 274.314 3.767 20 30 CHEDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000514684098 329540685 /nfs/dbraw/zinc/54/06/85/329540685.db2.gz LSWLYUXOOIZJOZ-ZDUSSCGKSA-N 1 1 291.354 3.859 20 30 CHEDMO C=CCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000265770448 330063225 /nfs/dbraw/zinc/06/32/25/330063225.db2.gz IRVRBLKESTVQKU-WMZOPIPTSA-N 1 1 272.436 3.547 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000271538692 330081187 /nfs/dbraw/zinc/08/11/87/330081187.db2.gz QOKVRYHSOWYBSX-JSGCOSHPSA-N 1 1 256.374 3.558 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccccc1 ZINC000271526426 330081430 /nfs/dbraw/zinc/08/14/30/330081430.db2.gz PBCROTZOKYXSFD-SWLSCSKDSA-N 1 1 270.401 3.867 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000276347965 330113145 /nfs/dbraw/zinc/11/31/45/330113145.db2.gz CXQHUOLOHBVDOU-CYBMUJFWSA-N 1 1 271.364 3.614 20 30 CHEDMO C=CCC[C@H](NC1CC[NH+](CC(=C)C)CC1)c1ccco1 ZINC000276458175 330113545 /nfs/dbraw/zinc/11/35/45/330113545.db2.gz NKDMTMXJTZKQTP-KRWDZBQOSA-N 1 1 288.435 3.917 20 30 CHEDMO C=CCC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccco1 ZINC000278963292 330121049 /nfs/dbraw/zinc/12/10/49/330121049.db2.gz NXBSLLMMXJRQEH-INIZCTEOSA-N 1 1 276.424 3.749 20 30 CHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CN)c2ccc3ccccc3c2)C1 ZINC000423362177 330193945 /nfs/dbraw/zinc/19/39/45/330193945.db2.gz AYEPEGBFCRBWLE-NIKGAXFTSA-N 1 1 293.414 3.512 20 30 CHEDMO N#CC[C@@H]1CC[C@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000528032018 330305377 /nfs/dbraw/zinc/30/53/77/330305377.db2.gz UAHXGCBMTSOKTO-JSGCOSHPSA-N 1 1 251.333 3.729 20 30 CHEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000532967778 330323384 /nfs/dbraw/zinc/32/33/84/330323384.db2.gz UQLNCNQBQOJBNF-UHFFFAOYSA-N 1 1 299.418 3.565 20 30 CHEDMO C=CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065500 330325693 /nfs/dbraw/zinc/32/56/93/330325693.db2.gz WTAQAPWBRCPJIF-INIZCTEOSA-N 1 1 269.392 3.676 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC2CC2)C(C)C)c1C ZINC000533035988 330325909 /nfs/dbraw/zinc/32/59/09/330325909.db2.gz HONGBMJEPFSEAF-UHFFFAOYSA-N 1 1 288.435 3.594 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(F)c1 ZINC000044352391 330329325 /nfs/dbraw/zinc/32/93/25/330329325.db2.gz YMBMKAICDQJVFT-QGZVFWFLSA-N 1 1 272.367 3.852 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000424325495 330341131 /nfs/dbraw/zinc/34/11/31/330341131.db2.gz LDHSXAFTLNGKQP-HRDYMLBCSA-N 1 1 289.326 3.505 20 30 CHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000533299088 330356633 /nfs/dbraw/zinc/35/66/33/330356633.db2.gz KHWHZNUOOKDKOL-UHFFFAOYSA-N 1 1 280.799 3.567 20 30 CHEDMO N#CC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000057856234 330379099 /nfs/dbraw/zinc/37/90/99/330379099.db2.gz XGPUBCRFJGBLPH-UHFFFAOYSA-N 1 1 271.751 3.628 20 30 CHEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cccc(C#N)c1 ZINC000058000201 330381745 /nfs/dbraw/zinc/38/17/45/330381745.db2.gz IECGRUIPJRJDDI-IZZDOVSWSA-N 1 1 262.356 3.703 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(C#N)c1F ZINC000537046915 330394295 /nfs/dbraw/zinc/39/42/95/330394295.db2.gz RRTFRQORVQEDQN-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000537046915 330394296 /nfs/dbraw/zinc/39/42/96/330394296.db2.gz RRTFRQORVQEDQN-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000121161507 330398291 /nfs/dbraw/zinc/39/82/91/330398291.db2.gz IQEPTVMZWJUVNT-LLVKDONJSA-N 1 1 277.393 3.757 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000121406115 330399982 /nfs/dbraw/zinc/39/99/82/330399982.db2.gz DKIWHCFQPWXULM-UHFFFAOYSA-N 1 1 262.740 3.613 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000121406115 330399983 /nfs/dbraw/zinc/39/99/83/330399983.db2.gz DKIWHCFQPWXULM-UHFFFAOYSA-N 1 1 262.740 3.613 20 30 CHEDMO Cn1c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2[nH+]c1C(C)(C)C ZINC000442845626 330786562 /nfs/dbraw/zinc/78/65/62/330786562.db2.gz NHYCHEOJQXVCHC-OLZOCXBDSA-N 1 1 296.418 3.975 20 30 CHEDMO C=CC(C)(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450060590 330960081 /nfs/dbraw/zinc/96/00/81/330960081.db2.gz NIYSCHYNXOZYOT-CYBMUJFWSA-N 1 1 297.402 3.570 20 30 CHEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000451002713 331011328 /nfs/dbraw/zinc/01/13/28/331011328.db2.gz RTJZQTLTFHUVPX-NWDGAFQWSA-N 1 1 299.805 3.827 20 30 CHEDMO C=CCOCCC[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451147186 331017491 /nfs/dbraw/zinc/01/74/91/331017491.db2.gz NYYPCVTZSGXDFI-YNEHKIRRSA-N 1 1 279.346 3.630 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451346565 331025113 /nfs/dbraw/zinc/02/51/13/331025113.db2.gz FHVMTLOTZNYMCD-UTRMSSBJSA-N 1 1 298.430 3.635 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882068 331046104 /nfs/dbraw/zinc/04/61/04/331046104.db2.gz QQKCDBRTSLIULL-ZIAGYGMSSA-N 1 1 292.389 3.547 20 30 CHEDMO Cc1cc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)ccc1C#N ZINC000459637507 331291454 /nfs/dbraw/zinc/29/14/54/331291454.db2.gz XLIYUBWPBZKLIU-LBPRGKRZSA-N 1 1 297.427 3.663 20 30 CHEDMO CCC1(C)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459640671 331291677 /nfs/dbraw/zinc/29/16/77/331291677.db2.gz XENKCIYMWKFVRO-UHFFFAOYSA-N 1 1 282.309 3.809 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798492 331301591 /nfs/dbraw/zinc/30/15/91/331301591.db2.gz VFAIFRIOUPNPEE-DLBZAZTESA-N 1 1 265.441 3.606 20 30 CHEDMO CC[N@H+](Cc1ccc(Br)cc1C#N)CC(C)C ZINC000379756815 331308045 /nfs/dbraw/zinc/30/80/45/331308045.db2.gz WWUZEFUXKIHPLQ-UHFFFAOYSA-N 1 1 295.224 3.799 20 30 CHEDMO CC#CCC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000462327917 331319693 /nfs/dbraw/zinc/31/96/93/331319693.db2.gz PWBMTFKEYYHBGC-GOEBONIOSA-N 1 1 259.418 3.578 20 30 CHEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc(Cl)ccc1C#N ZINC000463069740 331339229 /nfs/dbraw/zinc/33/92/29/331339229.db2.gz MCNKCEAVIWSZAY-OAHLLOKOSA-N 1 1 291.826 3.522 20 30 CHEDMO C[N@@H+](CCc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1)C1CC1 ZINC000463234548 331343444 /nfs/dbraw/zinc/34/34/44/331343444.db2.gz CQJFMJRXYWISAH-AEFFLSMTSA-N 1 1 297.446 3.818 20 30 CHEDMO CC(C)CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464812289 331369292 /nfs/dbraw/zinc/36/92/92/331369292.db2.gz KCXMOFOFYSLFEF-SJORKVTESA-N 1 1 256.393 3.804 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCC1 ZINC000464822760 331369669 /nfs/dbraw/zinc/36/96/69/331369669.db2.gz NXTZMZOCGLSPAP-IRXDYDNUSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCOCc1ccccc1 ZINC000464846399 331370910 /nfs/dbraw/zinc/37/09/10/331370910.db2.gz AVYYGNLYQQASMQ-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CCOCCCOc1cc(C)[nH+]c2cc(C)ccc21 ZINC000478820640 331714944 /nfs/dbraw/zinc/71/49/44/331714944.db2.gz FMYDNNJOIGGDAK-UHFFFAOYSA-N 1 1 271.360 3.823 20 30 CHEDMO Fc1ccc(C2([NH2+]CC#Cc3ccccc3)CCC2)c(F)c1 ZINC000484067753 331891751 /nfs/dbraw/zinc/89/17/51/331891751.db2.gz CREFGGIORSBVIC-UHFFFAOYSA-N 1 1 297.348 3.985 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000488411773 332005207 /nfs/dbraw/zinc/00/52/07/332005207.db2.gz BUEIJJULTJDDIS-QGZVFWFLSA-N 1 1 261.409 3.788 20 30 CHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000488467248 332012084 /nfs/dbraw/zinc/01/20/84/332012084.db2.gz XBALVLDWONVJJU-AWEZNQCLSA-N 1 1 282.362 3.760 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C1 ZINC000488472147 332012428 /nfs/dbraw/zinc/01/24/28/332012428.db2.gz XDGSBBJPGRNMEH-SJORKVTESA-N 1 1 288.460 3.973 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CC1(C)C ZINC000489456920 332053883 /nfs/dbraw/zinc/05/38/83/332053883.db2.gz PCTKEXJRFCLKER-OAHLLOKOSA-N 1 1 256.393 3.718 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C1CCCCCC1 ZINC000489569331 332059729 /nfs/dbraw/zinc/05/97/29/332059729.db2.gz TWRBDOHYEPPYPP-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000489580015 332060183 /nfs/dbraw/zinc/06/01/83/332060183.db2.gz UESQISHCFAKIOV-LRDDRELGSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000490403893 332088540 /nfs/dbraw/zinc/08/85/40/332088540.db2.gz QIXXGFFFGSNMOG-ZAWLATJESA-N 1 1 298.430 3.573 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)ccc1OC ZINC000491258877 332175737 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1125672999 /nfs/dbraw/zinc/67/29/99/1125672999.db2.gz NVMACUMIAAARLE-MRXNPFEDSA-N 1 1 296.439 3.579 20 30 CHEDMO CC(C)([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1F ZINC000886350356 1125673253 /nfs/dbraw/zinc/67/32/53/1125673253.db2.gz RQNFLNWSQSYVMH-UHFFFAOYSA-N 1 1 292.354 3.923 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000886540720 1125686623 /nfs/dbraw/zinc/68/66/23/1125686623.db2.gz JRQVRJVFRBDODD-KSSFIOAISA-N 1 1 277.371 3.536 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000886541305 1125686808 /nfs/dbraw/zinc/68/68/08/1125686808.db2.gz TYKSRQJNUBRKQQ-SUMWQHHRSA-N 1 1 266.344 3.734 20 30 CHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1c(O)cccc1F ZINC000886578137 1125693212 /nfs/dbraw/zinc/69/32/12/1125693212.db2.gz LBGHDTAYBQVAQW-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617681 1125697937 /nfs/dbraw/zinc/69/79/37/1125697937.db2.gz VUDWYWAPZYKVTM-AAEUAGOBSA-N 1 1 274.330 3.591 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc21 ZINC000191930710 1125703011 /nfs/dbraw/zinc/70/30/11/1125703011.db2.gz LIAXPCLYWXCOFO-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000192049192 1125735366 /nfs/dbraw/zinc/73/53/66/1125735366.db2.gz DLFJVNOGABLWLR-CABCVRRESA-N 1 1 292.423 3.803 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238685476 1131231367 /nfs/dbraw/zinc/23/13/67/1131231367.db2.gz QSBDVYHTTNKSOL-CQSZACIVSA-N 1 1 297.789 3.747 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238685476 1131231372 /nfs/dbraw/zinc/23/13/72/1131231372.db2.gz QSBDVYHTTNKSOL-CQSZACIVSA-N 1 1 297.789 3.747 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2ccccc2o1 ZINC000615092173 1125752307 /nfs/dbraw/zinc/75/23/07/1125752307.db2.gz GUHAYWREQAKWAX-GFCCVEGCSA-N 1 1 277.327 3.550 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)o1 ZINC000093757010 1125772386 /nfs/dbraw/zinc/77/23/86/1125772386.db2.gz SRZKBFXTSXVXGE-CQSZACIVSA-N 1 1 298.411 3.765 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(C#N)o2)c1 ZINC000093864471 1125773636 /nfs/dbraw/zinc/77/36/36/1125773636.db2.gz XRCIARFYXCMORL-UHFFFAOYSA-N 1 1 284.359 3.570 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000093864471 1125773642 /nfs/dbraw/zinc/77/36/42/1125773642.db2.gz XRCIARFYXCMORL-UHFFFAOYSA-N 1 1 284.359 3.570 20 30 CHEDMO C=CCCn1cc(C[N@H+](CC(C)C)C(CC)CC)nn1 ZINC000653564896 1129785192 /nfs/dbraw/zinc/78/51/92/1129785192.db2.gz QUVUPCBPDUKHAX-UHFFFAOYSA-N 1 1 278.444 3.501 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)CCC)cc1 ZINC000768337918 1129851842 /nfs/dbraw/zinc/85/18/42/1129851842.db2.gz JGSWIPQXDVRYBZ-OAHLLOKOSA-N 1 1 259.393 3.709 20 30 CHEDMO COc1c(C)cc([C@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903106865 1130113463 /nfs/dbraw/zinc/11/34/63/1130113463.db2.gz XCGFPUSELGLJAD-NSHDSACASA-N 1 1 278.783 3.611 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC000899995404 1126722489 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ZINC000659821577 1126761611 /nfs/dbraw/zinc/76/16/11/1126761611.db2.gz DFWRKONBOMTMAX-UHFFFAOYSA-N 1 1 268.360 3.740 20 30 CHEDMO Cc1cc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C#N)cc2c(C)c1 ZINC000482514040 1126762724 /nfs/dbraw/zinc/76/27/24/1126762724.db2.gz SFKJHTKEGBZNLG-CJNGLKHVSA-N 1 1 267.376 3.567 20 30 CHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000483127331 1126768965 /nfs/dbraw/zinc/76/89/65/1126768965.db2.gz WRNREVZVZCBVJB-MRXNPFEDSA-N 1 1 256.393 3.763 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1C ZINC000174845625 1126773434 /nfs/dbraw/zinc/77/34/34/1126773434.db2.gz SQTTXAHWULKALE-UHFFFAOYSA-N 1 1 274.408 3.765 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000174848020 1126773618 /nfs/dbraw/zinc/77/36/18/1126773618.db2.gz JDJGZSOHZDKLHH-UHFFFAOYSA-N 1 1 299.393 3.995 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000174848020 1126773620 /nfs/dbraw/zinc/77/36/20/1126773620.db2.gz JDJGZSOHZDKLHH-UHFFFAOYSA-N 1 1 299.393 3.995 20 30 CHEDMO COc1ccc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)cc1 ZINC000174811407 1126773809 /nfs/dbraw/zinc/77/38/09/1126773809.db2.gz FHJGBBABIJLLJL-UHFFFAOYSA-N 1 1 286.419 3.990 20 30 CHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000174832914 1126773829 /nfs/dbraw/zinc/77/38/29/1126773829.db2.gz LGKUSDYCNZXGTH-MRXNPFEDSA-N 1 1 290.407 3.591 20 30 CHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174855166 1126773904 /nfs/dbraw/zinc/77/39/04/1126773904.db2.gz WLTUNSLVDLKBMM-CYBMUJFWSA-N 1 1 260.381 3.715 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000174882213 1126774559 /nfs/dbraw/zinc/77/45/59/1126774559.db2.gz ODJUFPIJSGRQOB-RDJZCZTQSA-N 1 1 286.419 3.778 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1(OC)CCCCC1 ZINC000483270147 1126777431 /nfs/dbraw/zinc/77/74/31/1126777431.db2.gz KACWYKXROZJAFK-UHFFFAOYSA-N 1 1 298.430 3.896 20 30 CHEDMO C=CC[N@@H+](CCOC)Cc1ccc(Oc2ccccc2)o1 ZINC000483430298 1126787504 /nfs/dbraw/zinc/78/75/04/1126787504.db2.gz IJCLSRPOPGHPPX-UHFFFAOYSA-N 1 1 287.359 3.706 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccc(Oc2ccccc2)o1 ZINC000483430298 1126787508 /nfs/dbraw/zinc/78/75/08/1126787508.db2.gz IJCLSRPOPGHPPX-UHFFFAOYSA-N 1 1 287.359 3.706 20 30 CHEDMO COc1ccccc1C[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000483528842 1126790751 /nfs/dbraw/zinc/79/07/51/1126790751.db2.gz XUTNCVGFARUXHG-UHFFFAOYSA-N 1 1 291.394 3.711 20 30 CHEDMO COc1ccccc1C[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000483528842 1126790754 /nfs/dbraw/zinc/79/07/54/1126790754.db2.gz XUTNCVGFARUXHG-UHFFFAOYSA-N 1 1 291.394 3.711 20 30 CHEDMO C(#Cc1ccccc1)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000483529381 1126791023 /nfs/dbraw/zinc/79/10/23/1126791023.db2.gz ZBVSUSVFEHDUEQ-UHFFFAOYSA-N 1 1 261.368 3.703 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483520301 1126791332 /nfs/dbraw/zinc/79/13/32/1126791332.db2.gz UGRWCIUZDKUSCC-UHFFFAOYSA-N 1 1 280.346 3.886 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000483523867 1126792123 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CHEDMO CCC(CC)[N@@H+](CC)Cc1c(F)cc(C#N)cc1F ZINC001235662811 1130761669 /nfs/dbraw/zinc/76/16/69/1130761669.db2.gz IQZCZSGESDDOBV-UHFFFAOYSA-N 1 1 266.335 3.847 20 30 CHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192136258 1126958423 /nfs/dbraw/zinc/95/84/23/1126958423.db2.gz HKPJGELEHLAVTF-GOSISDBHSA-N 1 1 264.372 3.516 20 30 CHEDMO N#CCSCCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267362003 1126997666 /nfs/dbraw/zinc/99/76/66/1126997666.db2.gz PRJNTHPDTGFTJJ-CQSZACIVSA-N 1 1 280.824 3.734 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000268723103 1127021739 /nfs/dbraw/zinc/02/17/39/1127021739.db2.gz CSKJFSFQSJPUDE-CYBMUJFWSA-N 1 1 271.389 3.737 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000268723103 1127021744 /nfs/dbraw/zinc/02/17/44/1127021744.db2.gz CSKJFSFQSJPUDE-CYBMUJFWSA-N 1 1 271.389 3.737 20 30 CHEDMO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1cccnc1 ZINC000270635759 1127059372 /nfs/dbraw/zinc/05/93/72/1127059372.db2.gz HTDOMZATYJGCHN-ZDUSSCGKSA-N 1 1 283.350 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RZKFIRBSEVPOBO-UHFFFAOYSA-N 1 1 256.349 3.949 20 30 CHEDMO C=C(C[NH2+][C@@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000924841033 1127083522 /nfs/dbraw/zinc/08/35/22/1127083522.db2.gz IHZYZERMUITUMR-OAHLLOKOSA-N 1 1 268.360 3.663 20 30 CHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H]1CC[C@@H](C#N)C1 ZINC000339113675 1127113665 /nfs/dbraw/zinc/11/36/65/1127113665.db2.gz IIAOFOMTMFKAMR-UKRRQHHQSA-N 1 1 267.376 3.682 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339127794 1127114154 /nfs/dbraw/zinc/11/41/54/1127114154.db2.gz XTRJPOZBQOLIBW-ZYHUDNBSSA-N 1 1 266.747 3.603 20 30 CHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000156354239 1127153294 /nfs/dbraw/zinc/15/32/94/1127153294.db2.gz NTOFCFZWZARSLS-GOSISDBHSA-N 1 1 298.430 3.638 20 30 CHEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cc1C ZINC000591053407 1127157238 /nfs/dbraw/zinc/15/72/38/1127157238.db2.gz SYPFBBXSPAZBET-UHFFFAOYSA-N 1 1 268.360 3.790 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(CC=C)cc(OC)c1O ZINC000164349172 1127162112 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CCC[N@@H+](Cc1cnc(CC)s1)Cc1ccc(C#N)cc1 ZINC000351609923 1127198356 /nfs/dbraw/zinc/19/83/56/1127198356.db2.gz VZMNMUUMYPJPBM-UHFFFAOYSA-N 1 1 299.443 3.989 20 30 CHEDMO CCCN(CCC[NH+](CC)CC)Cc1ccc(C#N)cc1 ZINC000351614584 1127198494 /nfs/dbraw/zinc/19/84/94/1127198494.db2.gz HQQRUOBVJZWMLZ-UHFFFAOYSA-N 1 1 287.451 3.502 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000351614610 1127198631 /nfs/dbraw/zinc/19/86/31/1127198631.db2.gz HZRDSUFPYRAEEW-UKPHBRMFSA-N 1 1 289.419 3.695 20 30 CHEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000284776267 1127205790 /nfs/dbraw/zinc/20/57/90/1127205790.db2.gz NBHAFEZMAGJYFY-KGLIPLIRSA-N 1 1 295.213 3.574 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCC1(F)F ZINC000589278463 1127216968 /nfs/dbraw/zinc/21/69/68/1127216968.db2.gz PVIOXOHMBJEBKH-ZDUSSCGKSA-N 1 1 292.373 3.965 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC000218340516 1131150417 /nfs/dbraw/zinc/15/04/17/1131150417.db2.gz VGPAOBJLGMTFAW-UHFFFAOYSA-N 1 1 268.763 3.851 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC000218340516 1131150420 /nfs/dbraw/zinc/15/04/20/1131150420.db2.gz VGPAOBJLGMTFAW-UHFFFAOYSA-N 1 1 268.763 3.851 20 30 CHEDMO C=CC[C@H]1[N@H+](CCc2ccncc2)CCCC1(C)C ZINC000352367614 1127226523 /nfs/dbraw/zinc/22/65/23/1127226523.db2.gz AHTOLDZCDGMRGP-MRXNPFEDSA-N 1 1 258.409 3.691 20 30 CHEDMO N#CC1(F)CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000352489859 1127236331 /nfs/dbraw/zinc/23/63/31/1127236331.db2.gz DPHKZRLLYSJAEQ-AWEZNQCLSA-N 1 1 278.758 3.655 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001275119880 1127239162 /nfs/dbraw/zinc/23/91/62/1127239162.db2.gz YCADMDCPTBSVJU-SFHVURJKSA-N 1 1 294.483 3.681 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601844 1127264391 /nfs/dbraw/zinc/26/43/91/1127264391.db2.gz SAHOCNZZBKOLGX-HNNXBMFYSA-N 1 1 271.408 3.591 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600884 1127264656 /nfs/dbraw/zinc/26/46/56/1127264656.db2.gz OJKLLSWTCSVPLZ-YJBOKZPZSA-N 1 1 291.398 3.894 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601851 1127264678 /nfs/dbraw/zinc/26/46/78/1127264678.db2.gz SAHOCNZZBKOLGX-OAHLLOKOSA-N 1 1 271.408 3.591 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1CCC(F)(F)CC1 ZINC000286945526 1127276876 /nfs/dbraw/zinc/27/68/76/1127276876.db2.gz MFGTUNZOLZQJSD-UHFFFAOYSA-N 1 1 281.321 3.687 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H](C)CCC#N)CC3 ZINC000591017577 1127282322 /nfs/dbraw/zinc/28/23/22/1127282322.db2.gz HKTBCUMLCXOLRT-CYBMUJFWSA-N 1 1 267.376 3.527 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H](C)CCC#N)CC3 ZINC000591017577 1127282324 /nfs/dbraw/zinc/28/23/24/1127282324.db2.gz HKTBCUMLCXOLRT-CYBMUJFWSA-N 1 1 267.376 3.527 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000591012294 1127282602 /nfs/dbraw/zinc/28/26/02/1127282602.db2.gz MDWZHNAMTUKVSP-KBAYOESNSA-N 1 1 286.419 3.778 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@H](Cc3ccncc3)C2)CCCCC1 ZINC000591026663 1127284253 /nfs/dbraw/zinc/28/42/53/1127284253.db2.gz UQWZMMUTTDBAJJ-GOSISDBHSA-N 1 1 297.446 3.810 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000354128798 1127295998 /nfs/dbraw/zinc/29/59/98/1127295998.db2.gz AFDPDYKDLMGTMO-UHFFFAOYSA-N 1 1 298.411 3.577 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000354128798 1127295999 /nfs/dbraw/zinc/29/59/99/1127295999.db2.gz AFDPDYKDLMGTMO-UHFFFAOYSA-N 1 1 298.411 3.577 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000760818806 1127295177 /nfs/dbraw/zinc/29/51/77/1127295177.db2.gz PBIUXTJSDOVOTN-AWEZNQCLSA-N 1 1 278.193 3.609 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000045796831 1127297617 /nfs/dbraw/zinc/29/76/17/1127297617.db2.gz UXAORLCEDSONOR-UHFFFAOYSA-N 1 1 280.346 3.886 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000045796831 1127297618 /nfs/dbraw/zinc/29/76/18/1127297618.db2.gz UXAORLCEDSONOR-UHFFFAOYSA-N 1 1 280.346 3.886 20 30 CHEDMO C#CCC[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000760852104 1127311389 /nfs/dbraw/zinc/31/13/89/1127311389.db2.gz QSNXSYMNEVEQHE-UHFFFAOYSA-N 1 1 253.345 3.614 20 30 CHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NCC1([NH3+])CCCCCC1 ZINC000591576915 1127309546 /nfs/dbraw/zinc/30/95/46/1127309546.db2.gz NFWSVRPACWPOFO-SFHVURJKSA-N 1 1 297.446 3.577 20 30 CHEDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(F)cn1 ZINC000287797670 1127313699 /nfs/dbraw/zinc/31/36/99/1127313699.db2.gz TXUVFRVKUYCWEM-NEPJUHHUSA-N 1 1 299.349 3.513 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nc1 ZINC000591839149 1127321792 /nfs/dbraw/zinc/32/17/92/1127321792.db2.gz ZMVVQODVZODZOF-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000355204747 1127324718 /nfs/dbraw/zinc/32/47/18/1127324718.db2.gz HXJNNRQIRHQYJN-HUUCEWRRSA-N 1 1 292.448 3.645 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000355203962 1127324757 /nfs/dbraw/zinc/32/47/57/1127324757.db2.gz GLGYDAMMIULAST-MSOLQXFVSA-N 1 1 262.356 3.546 20 30 CHEDMO Cc1cc([C@@H]([NH2+]Cc2ccncc2C#N)C2CC2)ccc1F ZINC000592099832 1127333525 /nfs/dbraw/zinc/33/35/25/1127333525.db2.gz UTTZTFUNDHWEPT-SFHVURJKSA-N 1 1 295.361 3.642 20 30 CHEDMO CC[N@@H+](CCC[C@H]1CCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000592063870 1127334433 /nfs/dbraw/zinc/33/44/33/1127334433.db2.gz KQVROFGZAUEHPB-WBVHZDCISA-N 1 1 286.419 3.758 20 30 CHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1ccncc1C#N ZINC000592074181 1127334769 /nfs/dbraw/zinc/33/47/69/1127334769.db2.gz KFWIJYCZAOKCTE-IBGZPJMESA-N 1 1 293.414 3.796 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1c1ccccc1 ZINC000592072888 1127335092 /nfs/dbraw/zinc/33/50/92/1127335092.db2.gz QHHSHUSKRJAFAI-DNVCBOLYSA-N 1 1 291.398 3.579 20 30 CHEDMO CCC[N@@H+](Cc1ccncc1C#N)[C@@H]1CCc2ccccc21 ZINC000592067946 1127335281 /nfs/dbraw/zinc/33/52/81/1127335281.db2.gz BMYPEDLEJAHKKH-LJQANCHMSA-N 1 1 291.398 3.853 20 30 CHEDMO CCCC1CCC([N@@H+](C)Cc2ccncc2C#N)CC1 ZINC000592113993 1127335500 /nfs/dbraw/zinc/33/55/00/1127335500.db2.gz RDMSPDAHXOZJIV-UHFFFAOYSA-N 1 1 271.408 3.744 20 30 CHEDMO CCSc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592095441 1127335941 /nfs/dbraw/zinc/33/59/41/1127335941.db2.gz XDWFGKSQLGIPAX-ZDUSSCGKSA-N 1 1 297.427 3.916 20 30 CHEDMO CSc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592120467 1127336171 /nfs/dbraw/zinc/33/61/71/1127336171.db2.gz BHDPAFQWTRUGPH-GFCCVEGCSA-N 1 1 283.400 3.526 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@H](c3cccnc3)C2)CCCCC1 ZINC000592139259 1127336892 /nfs/dbraw/zinc/33/68/92/1127336892.db2.gz RCAUGSGCFKYRBX-KRWDZBQOSA-N 1 1 283.419 3.735 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000592154339 1127338318 /nfs/dbraw/zinc/33/83/18/1127338318.db2.gz PUZCPIZLBKTNOG-LSDHHAIUSA-N 1 1 280.481 3.781 20 30 CHEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000592153548 1127341672 /nfs/dbraw/zinc/34/16/72/1127341672.db2.gz GOPXZVSZVRXJNX-JSGCOSHPSA-N 1 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Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cccc(C#N)n2)o1 ZINC000602488061 1127585520 /nfs/dbraw/zinc/58/55/20/1127585520.db2.gz ZFYYSLOJHOLEMO-DYVFJYSZSA-N 1 1 295.386 3.828 20 30 CHEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cccc(C#N)n1 ZINC000602528378 1127590972 /nfs/dbraw/zinc/59/09/72/1127590972.db2.gz AJEDVMBQRHWICJ-QGZVFWFLSA-N 1 1 295.386 3.593 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000361828612 1127591959 /nfs/dbraw/zinc/59/19/59/1127591959.db2.gz LWPMCYCBHMHRGB-GOSISDBHSA-N 1 1 268.404 3.660 20 30 CHEDMO C=C1CC[NH+](Cc2cc(OC)ccc2Cl)CC1 ZINC000361831260 1127592063 /nfs/dbraw/zinc/59/20/63/1127592063.db2.gz UWDWRWGZGFPFLO-UHFFFAOYSA-N 1 1 251.757 3.501 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)c(F)c1 ZINC000361863534 1127595044 /nfs/dbraw/zinc/59/50/44/1127595044.db2.gz XBWXHZDSVYGLEC-UHFFFAOYSA-N 1 1 284.334 3.521 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000602634368 1127601165 /nfs/dbraw/zinc/60/11/65/1127601165.db2.gz OPWYPJPRXHVRBW-GFCCVEGCSA-N 1 1 278.346 3.869 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000602633942 1127601190 /nfs/dbraw/zinc/60/11/90/1127601190.db2.gz MTZUTFWRMHKPPB-NWDGAFQWSA-N 1 1 276.346 3.837 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000602673815 1127602145 /nfs/dbraw/zinc/60/21/45/1127602145.db2.gz CTJPVLIXKDCCDU-KGLIPLIRSA-N 1 1 297.324 3.506 20 30 CHEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602618221 1127597744 /nfs/dbraw/zinc/59/77/44/1127597744.db2.gz RQZKXYSTRIYSLI-MJGOQNOKSA-N 1 1 299.462 3.523 20 30 CHEDMO COc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1Cl ZINC000602692272 1127604916 /nfs/dbraw/zinc/60/49/16/1127604916.db2.gz XITHCHOXQHLCJP-GFCCVEGCSA-N 1 1 280.799 3.720 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000602717890 1127608787 /nfs/dbraw/zinc/60/87/87/1127608787.db2.gz JTBGQRDCSIUHRM-QGZVFWFLSA-N 1 1 268.335 3.714 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000602717890 1127608788 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CC[N@@H+](Cc1ccc(CO)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000272324018 1128326791 /nfs/dbraw/zinc/32/67/91/1128326791.db2.gz LCAMNXGBVYTCFF-OAHLLOKOSA-N 1 1 294.398 3.634 20 30 CHEDMO N#CC1CCC(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000930750199 1128333696 /nfs/dbraw/zinc/33/36/96/1128333696.db2.gz SDSMHQQUMPYHTM-JXQTWKCFSA-N 1 1 288.357 3.981 20 30 CHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C(C)(C)CN1CCCC1 ZINC000930745450 1128334213 /nfs/dbraw/zinc/33/42/13/1128334213.db2.gz YIESTQZHCHDINY-UHFFFAOYSA-N 1 1 291.483 3.657 20 30 CHEDMO CN(CCCCC1(C#N)CCC1)C(C)(C)C[NH+]1CCCC1 ZINC000930745450 1128334218 /nfs/dbraw/zinc/33/42/18/1128334218.db2.gz YIESTQZHCHDINY-UHFFFAOYSA-N 1 1 291.483 3.657 20 30 CHEDMO Cc1cc(C)nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000930765054 1128334669 /nfs/dbraw/zinc/33/46/69/1128334669.db2.gz RSCXQYMTNZSXCZ-OAHLLOKOSA-N 1 1 279.387 3.763 20 30 CHEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CCC1 ZINC000930811382 1128336987 /nfs/dbraw/zinc/33/69/87/1128336987.db2.gz 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ZINC000078459069 1120382961 /nfs/dbraw/zinc/38/29/61/1120382961.db2.gz NHRPBUMCVONZOX-UHFFFAOYSA-N 1 1 298.430 3.982 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)CCCOc1cccc(C(C)(C)C)c1 ZINC000511590422 1120385398 /nfs/dbraw/zinc/38/53/98/1120385398.db2.gz GMVNPSRKNJPDRC-OAHLLOKOSA-N 1 1 288.435 3.844 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCCOc1cccc(C(C)(C)C)c1 ZINC000511590422 1120385402 /nfs/dbraw/zinc/38/54/02/1120385402.db2.gz GMVNPSRKNJPDRC-OAHLLOKOSA-N 1 1 288.435 3.844 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000079378831 1120435623 /nfs/dbraw/zinc/43/56/23/1120435623.db2.gz XHKVXEPXOAOUIC-HNNXBMFYSA-N 1 1 271.408 3.601 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000543139850 1120441802 /nfs/dbraw/zinc/44/18/02/1120441802.db2.gz QKCQDGFAGBSLEE-CABCVRRESA-N 1 1 256.393 3.621 20 30 CHEDMO N#CC1(CCCC[N@H+]2CCC[C@H](OC3CCC3)C2)CCC1 ZINC000930886540 1120464493 /nfs/dbraw/zinc/46/44/93/1120464493.db2.gz VBQXDDVKYVLWLK-KRWDZBQOSA-N 1 1 290.451 3.884 20 30 CHEDMO C=CCCC[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000584865533 1120472411 /nfs/dbraw/zinc/47/24/11/1120472411.db2.gz CFHPOCUKZUNYEE-VOTSOKGWSA-N 1 1 251.320 3.876 20 30 CHEDMO C[N@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccc1F ZINC000132552156 1120504104 /nfs/dbraw/zinc/50/41/04/1120504104.db2.gz BSNHTFUQAXUAFU-VMPITWQZSA-N 1 1 280.346 3.843 20 30 CHEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccc1F ZINC000132552156 1120504112 /nfs/dbraw/zinc/50/41/12/1120504112.db2.gz BSNHTFUQAXUAFU-VMPITWQZSA-N 1 1 280.346 3.843 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)o1)C(C)C ZINC000929292382 1120510084 /nfs/dbraw/zinc/51/00/84/1120510084.db2.gz LGLHDOULCPXEDX-UHFFFAOYSA-N 1 1 256.349 3.738 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000123663603 1120542091 /nfs/dbraw/zinc/54/20/91/1120542091.db2.gz SFCMHJQZKKKKKI-INIZCTEOSA-N 1 1 268.385 3.957 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(C#N)cc2[nH]ccc21 ZINC001167753227 1120549961 /nfs/dbraw/zinc/54/99/61/1120549961.db2.gz FFFXTVIJTUYIBC-CQSZACIVSA-N 1 1 296.418 3.716 20 30 CHEDMO C=CCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000526058518 1120555965 /nfs/dbraw/zinc/55/59/65/1120555965.db2.gz NCBDXFBZSDSBGP-UHFFFAOYSA-N 1 1 273.298 3.592 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000154892497 1120563061 /nfs/dbraw/zinc/56/30/61/1120563061.db2.gz OJECXAWUYXGGTP-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000154892497 1120563062 /nfs/dbraw/zinc/56/30/62/1120563062.db2.gz OJECXAWUYXGGTP-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO N#Cc1csc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000093666191 1120564681 /nfs/dbraw/zinc/56/46/81/1120564681.db2.gz AWIPZGPJCDXWTG-OAHLLOKOSA-N 1 1 290.432 3.543 20 30 CHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093845173 1120568093 /nfs/dbraw/zinc/56/80/93/1120568093.db2.gz GKADDASTFFSXAG-WMLDXEAASA-N 1 1 296.418 3.607 20 30 CHEDMO C=C(C)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000508977014 1120569758 /nfs/dbraw/zinc/56/97/58/1120569758.db2.gz IAYWOQROIGECLU-UHFFFAOYSA-N 1 1 252.361 3.614 20 30 CHEDMO C=CCOCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000338881242 1120603180 /nfs/dbraw/zinc/60/31/80/1120603180.db2.gz QZDHXLIZEDEDOM-CYBMUJFWSA-N 1 1 259.349 3.628 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)s1 ZINC000125430539 1120612369 /nfs/dbraw/zinc/61/23/69/1120612369.db2.gz WFACTNPAVXVVOR-UHFFFAOYSA-N 1 1 268.385 3.784 20 30 CHEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC000692190149 1120618548 /nfs/dbraw/zinc/61/85/48/1120618548.db2.gz CSPJNFLXJYQYFI-VHSXEESVSA-N 1 1 253.283 3.611 20 30 CHEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)C(F)F ZINC000692190147 1120618849 /nfs/dbraw/zinc/61/88/49/1120618849.db2.gz CSPJNFLXJYQYFI-UWVGGRQHSA-N 1 1 253.283 3.611 20 30 CHEDMO C=CCOCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000338888596 1120621186 /nfs/dbraw/zinc/62/11/86/1120621186.db2.gz SUOGGTKCFTWQQI-CJNGLKHVSA-N 1 1 275.392 3.570 20 30 CHEDMO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000131189783 1120650216 /nfs/dbraw/zinc/65/02/16/1120650216.db2.gz UPAHNKTVOJJBSA-NSCUHMNNSA-N 1 1 280.346 3.843 20 30 CHEDMO Cc1cc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)ccc1C#N ZINC000429120841 1120669176 /nfs/dbraw/zinc/66/91/76/1120669176.db2.gz CRWNWKCAUMTPOT-OAHLLOKOSA-N 1 1 292.382 3.650 20 30 CHEDMO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc[nH+]c2ccsc21 ZINC000618694040 1128933214 /nfs/dbraw/zinc/93/32/14/1128933214.db2.gz WTYACCPKWFLZBI-AWEZNQCLSA-N 1 1 291.379 3.689 20 30 CHEDMO CC(C)c1ccc(CC[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001207520416 1120690117 /nfs/dbraw/zinc/69/01/17/1120690117.db2.gz FLWYBKWJTCFMRU-KRWDZBQOSA-N 1 1 270.420 3.978 20 30 CHEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000162936243 1120697256 /nfs/dbraw/zinc/69/72/56/1120697256.db2.gz RWPXBKGSRQLFAZ-CYBMUJFWSA-N 1 1 280.824 3.539 20 30 CHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000162936243 1120697260 /nfs/dbraw/zinc/69/72/60/1120697260.db2.gz RWPXBKGSRQLFAZ-CYBMUJFWSA-N 1 1 280.824 3.539 20 30 CHEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CCCC)CC2)C1 ZINC000651689423 1120711843 /nfs/dbraw/zinc/71/18/43/1120711843.db2.gz UIHSQPWBNZIVJO-DOTOQJQBSA-N 1 1 264.457 3.585 20 30 CHEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(C)o1 ZINC000044730549 1120730937 /nfs/dbraw/zinc/73/09/37/1120730937.db2.gz OIUVRPIQUPMBCI-LLVKDONJSA-N 1 1 272.323 3.758 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000661382732 1120760514 /nfs/dbraw/zinc/76/05/14/1120760514.db2.gz WRQGGWTXEGFJMN-CYBMUJFWSA-N 1 1 275.396 3.515 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000661382732 1120760518 /nfs/dbraw/zinc/76/05/18/1120760518.db2.gz WRQGGWTXEGFJMN-CYBMUJFWSA-N 1 1 275.396 3.515 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228082681 1120767955 /nfs/dbraw/zinc/76/79/55/1120767955.db2.gz URTCENJMYGCFKC-QGZVFWFLSA-N 1 1 266.473 3.813 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000595839365 1120791246 /nfs/dbraw/zinc/79/12/46/1120791246.db2.gz IXYYLZYEDQUUCZ-IBGZPJMESA-N 1 1 294.398 3.844 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000595839365 1120791250 /nfs/dbraw/zinc/79/12/50/1120791250.db2.gz IXYYLZYEDQUUCZ-IBGZPJMESA-N 1 1 294.398 3.844 20 30 CHEDMO C=CCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661735260 1120804921 /nfs/dbraw/zinc/80/49/21/1120804921.db2.gz BHDSMIDUPVIMSY-OAHLLOKOSA-N 1 1 263.356 3.554 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511897599 1120815370 /nfs/dbraw/zinc/81/53/70/1120815370.db2.gz UEFOEYZZNSKZCQ-BBWFWOEESA-N 1 1 266.388 3.558 20 30 CHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCCCC1 ZINC000598586443 1120859437 /nfs/dbraw/zinc/85/94/37/1120859437.db2.gz VFCROXBNFJEQAY-INIZCTEOSA-N 1 1 280.456 3.579 20 30 CHEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000931612438 1120868762 /nfs/dbraw/zinc/86/87/62/1120868762.db2.gz UJDPVSPWKPQTGX-WXRRBKDZSA-N 1 1 274.330 3.591 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(C)cccc1CC ZINC000662081380 1120870259 /nfs/dbraw/zinc/87/02/59/1120870259.db2.gz WDKFYBLNDVXEKR-CALCHBBNSA-N 1 1 298.430 3.679 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(CCC)n1 ZINC000662081660 1120870386 /nfs/dbraw/zinc/87/03/86/1120870386.db2.gz QDBVUKJJPWWDJY-OKILXGFUSA-N 1 1 262.422 3.779 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)F)c1 ZINC000662084077 1120872551 /nfs/dbraw/zinc/87/25/51/1120872551.db2.gz MQVIIFJDIIRCKW-OKILXGFUSA-N 1 1 279.330 3.971 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccccc2)nc1 ZINC000662087779 1120872728 /nfs/dbraw/zinc/87/27/28/1120872728.db2.gz KLMZDMMKYWNYGH-HDICACEKSA-N 1 1 291.398 3.827 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(C2CCCC2)n1 ZINC000662085742 1120872849 /nfs/dbraw/zinc/87/28/49/1120872849.db2.gz KLJNBUVTYPKFEC-CALCHBBNSA-N 1 1 271.408 3.681 20 30 CHEDMO Cc1ccsc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000053906508 1120936893 /nfs/dbraw/zinc/93/68/93/1120936893.db2.gz PPDLQIRLTLPWIS-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO Cc1ccsc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000053906508 1120936895 /nfs/dbraw/zinc/93/68/95/1120936895.db2.gz PPDLQIRLTLPWIS-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO CCCCCCCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000105409268 1120975366 /nfs/dbraw/zinc/97/53/66/1120975366.db2.gz MYLLUOZBQRXUMJ-JKSUJKDBSA-N 1 1 282.472 3.584 20 30 CHEDMO C[C@@H]1c2sccc2CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931695946 1120975727 /nfs/dbraw/zinc/97/57/27/1120975727.db2.gz WWGWELOBUXEYEX-IYXRBSQSSA-N 1 1 274.433 3.997 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000029482175 1120992319 /nfs/dbraw/zinc/99/23/19/1120992319.db2.gz CHQXWDLPJMFTKQ-SFHVURJKSA-N 1 1 262.356 3.678 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccns1 ZINC000715930022 1121016771 /nfs/dbraw/zinc/01/67/71/1121016771.db2.gz GBWIZSVTKRGMJC-SECBINFHSA-N 1 1 277.780 3.519 20 30 CHEDMO CCCCCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC001174771741 1121026382 /nfs/dbraw/zinc/02/63/82/1121026382.db2.gz VFNZFSZIYZFIGL-GFCCVEGCSA-N 1 1 267.335 3.610 20 30 CHEDMO CCCCCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC001174771741 1121026390 /nfs/dbraw/zinc/02/63/90/1121026390.db2.gz VFNZFSZIYZFIGL-GFCCVEGCSA-N 1 1 267.335 3.610 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000625701342 1121060390 /nfs/dbraw/zinc/06/03/90/1121060390.db2.gz JGXNNVLLHRAUBF-AWEZNQCLSA-N 1 1 252.361 3.633 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000625702213 1121060570 /nfs/dbraw/zinc/06/05/70/1121060570.db2.gz FLFOGVCEJBZGFQ-GFCCVEGCSA-N 1 1 258.390 3.694 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000625703592 1121062919 /nfs/dbraw/zinc/06/29/19/1121062919.db2.gz NKVWPRLUANSFCU-LBPRGKRZSA-N 1 1 264.438 3.839 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000093498012 1128961057 /nfs/dbraw/zinc/96/10/57/1128961057.db2.gz TTXNDRMVADJWSM-UHFFFAOYSA-N 1 1 263.381 3.579 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000674250300 1121106341 /nfs/dbraw/zinc/10/63/41/1121106341.db2.gz ZLMLAKSORQLYMA-INIZCTEOSA-N 1 1 259.780 3.566 20 30 CHEDMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117244 1121142570 /nfs/dbraw/zinc/14/25/70/1121142570.db2.gz KGOXLMDPNLQOFY-CYBMUJFWSA-N 1 1 298.361 3.947 20 30 CHEDMO C[N@H+](Cc1c[nH]c2c1cccc2C#N)C[C@H]1CC1(C)C ZINC001139704718 1121143467 /nfs/dbraw/zinc/14/34/67/1121143467.db2.gz BWUIZNFHEJWWCL-CQSZACIVSA-N 1 1 267.376 3.517 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(C)c1 ZINC000512181362 1121146681 /nfs/dbraw/zinc/14/66/81/1121146681.db2.gz PXGYKDACBOUMLG-UHFFFAOYSA-N 1 1 299.414 3.967 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1CC ZINC000512182801 1121147770 /nfs/dbraw/zinc/14/77/70/1121147770.db2.gz SUVRYVDCVZKPMM-UHFFFAOYSA-N 1 1 299.414 3.913 20 30 CHEDMO C/C=C/C[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001175052505 1121162595 /nfs/dbraw/zinc/16/25/95/1121162595.db2.gz GCLBKLSSCMDMKN-YATRRXNKSA-N 1 1 271.379 3.855 20 30 CHEDMO C=C(C)C[N@H+](C)C/C(C)=C/c1ccccc1COC ZINC000512212193 1121199782 /nfs/dbraw/zinc/19/97/82/1121199782.db2.gz KISZKWZERZZBCJ-XNTDXEJSSA-N 1 1 259.393 3.744 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(OC)c1 ZINC000662084952 1121287377 /nfs/dbraw/zinc/28/73/77/1121287377.db2.gz YMPMDKCELVDNDY-CWRNSKLLSA-N 1 1 257.377 3.939 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000675495213 1121319352 /nfs/dbraw/zinc/31/93/52/1121319352.db2.gz COHVLSNXKXEWDD-NVXWUHKLSA-N 1 1 289.419 3.549 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000843423236 1121478151 /nfs/dbraw/zinc/47/81/51/1121478151.db2.gz AOMHGWIABYJOQE-ZDUSSCGKSA-N 1 1 276.449 3.676 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)S1 ZINC000614168783 1121500244 /nfs/dbraw/zinc/50/02/44/1121500244.db2.gz UNEJHUDJRQPGJZ-OKILXGFUSA-N 1 1 288.460 3.814 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H]1C ZINC000614169547 1121501668 /nfs/dbraw/zinc/50/16/68/1121501668.db2.gz AQGZVRCATMMKLO-ZIAGYGMSSA-N 1 1 256.393 3.718 20 30 CHEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614171209 1121503474 /nfs/dbraw/zinc/50/34/74/1121503474.db2.gz GAMDRMVGNRUKEP-AWEZNQCLSA-N 1 1 256.393 3.720 20 30 CHEDMO C[N@@H+](CCC1CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176127 1121504914 /nfs/dbraw/zinc/50/49/14/1121504914.db2.gz HZDUODDAKPSEOA-UHFFFAOYSA-N 1 1 256.393 3.720 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1ccc(Br)s1 ZINC000509311023 1121524569 /nfs/dbraw/zinc/52/45/69/1121524569.db2.gz SGAVUFFGAGYMSQ-UHFFFAOYSA-N 1 1 274.227 3.909 20 30 CHEDMO C=C(C)C[N@@H+](CC)C/C=C/c1ccc(F)cc1F ZINC000543626294 1121532003 /nfs/dbraw/zinc/53/20/03/1121532003.db2.gz XOFLNDVLEYVLMT-AATRIKPKSA-N 1 1 251.320 3.876 20 30 CHEDMO CCc1ccc([C@H]2CC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000433050054 1121538079 /nfs/dbraw/zinc/53/80/79/1121538079.db2.gz ZYVJQHXKPHLFOS-KRWDZBQOSA-N 1 1 270.420 3.978 20 30 CHEDMO CCc1ccc([C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000433050055 1121538443 /nfs/dbraw/zinc/53/84/43/1121538443.db2.gz ZYVJQHXKPHLFOS-QGZVFWFLSA-N 1 1 270.420 3.978 20 30 CHEDMO N#CCSCCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433061642 1121542600 /nfs/dbraw/zinc/54/26/00/1121542600.db2.gz PYEVWUPQVUQZDA-MRXNPFEDSA-N 1 1 274.433 3.513 20 30 CHEDMO COC1CCC([N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411274576 1121550822 /nfs/dbraw/zinc/55/08/22/1121550822.db2.gz PVXOJITZOWOHSY-UHFFFAOYSA-N 1 1 278.440 3.740 20 30 CHEDMO C=C(C)CC[N@H+]1CCc2cccc(Br)c2C1 ZINC000509371964 1121556236 /nfs/dbraw/zinc/55/62/36/1121556236.db2.gz KXWYBMAHMBZTJH-UHFFFAOYSA-N 1 1 280.209 3.773 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000411308267 1121562773 /nfs/dbraw/zinc/56/27/73/1121562773.db2.gz ICRHIGMWIHHLGB-HLLBOEOZSA-N 1 1 256.393 3.804 20 30 CHEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000369712137 1121574998 /nfs/dbraw/zinc/57/49/98/1121574998.db2.gz KBMNLBLKFNXHKE-MRXNPFEDSA-N 1 1 288.439 3.667 20 30 CHEDMO C=CCOCCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000470777832 1121590802 /nfs/dbraw/zinc/59/08/02/1121590802.db2.gz BRDMFMPYIJBONL-UHFFFAOYSA-N 1 1 297.398 3.897 20 30 CHEDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000466745700 1121597083 /nfs/dbraw/zinc/59/70/83/1121597083.db2.gz XBDLFQZWQSCCDA-HOCLYGCPSA-N 1 1 256.393 3.987 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1csnc1OC ZINC001176474488 1121634696 /nfs/dbraw/zinc/63/46/96/1121634696.db2.gz KLBPISGUWHHICM-UHFFFAOYSA-N 1 1 256.415 3.554 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1csnc1OC ZINC001176474488 1121634702 /nfs/dbraw/zinc/63/47/02/1121634702.db2.gz KLBPISGUWHHICM-UHFFFAOYSA-N 1 1 256.415 3.554 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000611091098 1121626684 /nfs/dbraw/zinc/62/66/84/1121626684.db2.gz FTEXFWBICVKGJP-AWEZNQCLSA-N 1 1 281.403 3.612 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000611091098 1121626688 /nfs/dbraw/zinc/62/66/88/1121626688.db2.gz FTEXFWBICVKGJP-AWEZNQCLSA-N 1 1 281.403 3.612 20 30 CHEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2c(Cl)cccc2C#N)C1 ZINC000611133211 1121628404 /nfs/dbraw/zinc/62/84/04/1121628404.db2.gz OTCWBPQZZKGYJU-MRXNPFEDSA-N 1 1 297.789 3.810 20 30 CHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(Cl)cccc2C#N)C1 ZINC000611133211 1121628406 /nfs/dbraw/zinc/62/84/06/1121628406.db2.gz OTCWBPQZZKGYJU-MRXNPFEDSA-N 1 1 297.789 3.810 20 30 CHEDMO CC[N@@H+](Cc1ccc(O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611208171 1121631222 /nfs/dbraw/zinc/63/12/22/1121631222.db2.gz MLRJYJRNDHPBBK-CQSZACIVSA-N 1 1 280.371 3.847 20 30 CHEDMO C[C@H](c1ccncc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245199 1121631951 /nfs/dbraw/zinc/63/19/51/1121631951.db2.gz FWFBRPUSPNILAP-OAHLLOKOSA-N 1 1 289.382 3.804 20 30 CHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000611268923 1121633180 /nfs/dbraw/zinc/63/31/80/1121633180.db2.gz HIUVNRNQKSPIAS-QGZVFWFLSA-N 1 1 296.370 3.887 20 30 CHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000611268923 1121633184 /nfs/dbraw/zinc/63/31/84/1121633184.db2.gz HIUVNRNQKSPIAS-QGZVFWFLSA-N 1 1 296.370 3.887 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCOc2ccccc21 ZINC000611268826 1121633765 /nfs/dbraw/zinc/63/37/65/1121633765.db2.gz RQLRDCQGULKFJB-OAHLLOKOSA-N 1 1 286.419 3.814 20 30 CHEDMO C[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000611337736 1121638238 /nfs/dbraw/zinc/63/82/38/1121638238.db2.gz QAIZKQZOFNXCEA-CQSZACIVSA-N 1 1 275.355 3.617 20 30 CHEDMO Cc1ccc(C)c(OCCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000433309688 1121645713 /nfs/dbraw/zinc/64/57/13/1121645713.db2.gz CDOIBELJTSVZJO-UHFFFAOYSA-N 1 1 274.408 3.554 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000611526567 1121653871 /nfs/dbraw/zinc/65/38/71/1121653871.db2.gz USGZQWRHIZNFPQ-OALUTQOASA-N 1 1 292.382 3.664 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000611526567 1121653874 /nfs/dbraw/zinc/65/38/74/1121653874.db2.gz USGZQWRHIZNFPQ-OALUTQOASA-N 1 1 292.382 3.664 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)ccn1 ZINC000611554611 1121657268 /nfs/dbraw/zinc/65/72/68/1121657268.db2.gz CEQQOINNXSIZIL-OLHLWXQYSA-N 1 1 289.382 3.631 20 30 CHEDMO C=CC[N@H+](CCOc1ccccc1)Cc1ccc(OC)cc1 ZINC000614351509 1121674837 /nfs/dbraw/zinc/67/48/37/1121674837.db2.gz BODQWDLKYWVBKF-UHFFFAOYSA-N 1 1 297.398 3.762 20 30 CHEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000093535479 1121677963 /nfs/dbraw/zinc/67/79/63/1121677963.db2.gz RJHVSTXUPVVHBH-GUYCJALGSA-N 1 1 298.411 3.830 20 30 CHEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000093535479 1121677966 /nfs/dbraw/zinc/67/79/66/1121677966.db2.gz RJHVSTXUPVVHBH-GUYCJALGSA-N 1 1 298.411 3.830 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000397597743 1121688945 /nfs/dbraw/zinc/68/89/45/1121688945.db2.gz DZPKOOPGQKDUNG-JTQLQIEISA-N 1 1 254.786 3.527 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000397597743 1121688947 /nfs/dbraw/zinc/68/89/47/1121688947.db2.gz DZPKOOPGQKDUNG-JTQLQIEISA-N 1 1 254.786 3.527 20 30 CHEDMO C=CCC[C@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC001176767796 1121694322 /nfs/dbraw/zinc/69/43/22/1121694322.db2.gz UKKNHWJVNLVKDI-JTQLQIEISA-N 1 1 256.802 3.727 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC001176767796 1121694325 /nfs/dbraw/zinc/69/43/25/1121694325.db2.gz UKKNHWJVNLVKDI-JTQLQIEISA-N 1 1 256.802 3.727 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(C)C)nc1CC ZINC001176814466 1121695819 /nfs/dbraw/zinc/69/58/19/1121695819.db2.gz NJNLTPSCYILUSH-OAHLLOKOSA-N 1 1 258.409 3.918 20 30 CHEDMO CCc1ccc2c(c1)C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001177033496 1121708159 /nfs/dbraw/zinc/70/81/59/1121708159.db2.gz GMJVYUMGARIHTA-UHFFFAOYSA-N 1 1 290.410 3.987 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000614397249 1121708193 /nfs/dbraw/zinc/70/81/93/1121708193.db2.gz GCNXBKPDKSFMJL-INIZCTEOSA-N 1 1 256.393 3.877 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000614400849 1121709320 /nfs/dbraw/zinc/70/93/20/1121709320.db2.gz JHCRQJLXGHZGKU-IBGZPJMESA-N 1 1 290.410 3.931 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000614407781 1121712986 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ZINC001179997296 1121935134 /nfs/dbraw/zinc/93/51/34/1121935134.db2.gz HDKOCSSINJZDLX-UHFFFAOYSA-N 1 1 261.434 3.960 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001180029578 1121938303 /nfs/dbraw/zinc/93/83/03/1121938303.db2.gz CFIKUJQYBAEEPN-OAHLLOKOSA-N 1 1 286.419 3.772 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001180029578 1121938308 /nfs/dbraw/zinc/93/83/08/1121938308.db2.gz CFIKUJQYBAEEPN-OAHLLOKOSA-N 1 1 286.419 3.772 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@H](CC(C)C)C2)ccc1C#N ZINC001180071532 1121946123 /nfs/dbraw/zinc/94/61/23/1121946123.db2.gz AFPDNYJWVRHEBT-OAHLLOKOSA-N 1 1 286.419 3.825 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)C1CCCCC1 ZINC000501266738 1121966705 /nfs/dbraw/zinc/96/67/05/1121966705.db2.gz OSZZVJUKWXJRKS-UHFFFAOYSA-N 1 1 272.392 3.721 20 30 CHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)cc2)C1 ZINC000237053940 1121973250 /nfs/dbraw/zinc/97/32/50/1121973250.db2.gz IQTSTYWDFMROBR-INIZCTEOSA-N 1 1 299.462 3.548 20 30 CHEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000237053940 1121973259 /nfs/dbraw/zinc/97/32/59/1121973259.db2.gz IQTSTYWDFMROBR-INIZCTEOSA-N 1 1 299.462 3.548 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(C)c1OC)C(C)(C)C ZINC001204266180 1121977232 /nfs/dbraw/zinc/97/72/32/1121977232.db2.gz IEPGYZXYYBYHQL-UHFFFAOYSA-N 1 1 277.408 3.799 20 30 CHEDMO CCCCCCC[C@@H](C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001181120607 1122037354 /nfs/dbraw/zinc/03/73/54/1122037354.db2.gz JBLHVTPJBIXXCI-SJORKVTESA-N 1 1 296.499 3.831 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCSC2(CCC2)CC1 ZINC000414475625 1122037773 /nfs/dbraw/zinc/03/77/73/1122037773.db2.gz HLZJFPXJVYVFIG-UHFFFAOYSA-N 1 1 266.454 3.678 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001181316217 1122048738 /nfs/dbraw/zinc/04/87/38/1122048738.db2.gz WYLBXJJQFZNYGJ-IWAYRVGRSA-N 1 1 270.420 3.806 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420950118 1122049294 /nfs/dbraw/zinc/04/92/94/1122049294.db2.gz PONBCKPGKRHDTM-AWEZNQCLSA-N 1 1 282.309 3.723 20 30 CHEDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](CC)O1 ZINC000420957662 1122051244 /nfs/dbraw/zinc/05/12/44/1122051244.db2.gz OKAIKSDZASPBGR-RRQGHBQHSA-N 1 1 272.392 3.509 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001204297715 1122057573 /nfs/dbraw/zinc/05/75/73/1122057573.db2.gz OEBDAKVRESOCPL-GASCZTMLSA-N 1 1 293.357 3.729 20 30 CHEDMO CCCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CCCC[C@H]1OC ZINC001181775356 1122074009 /nfs/dbraw/zinc/07/40/09/1122074009.db2.gz DZLYIFYZJUOCQO-BRWVUGGUSA-N 1 1 280.456 3.986 20 30 CHEDMO Cc1cc(C[N@@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1C#N ZINC001181753547 1122074305 /nfs/dbraw/zinc/07/43/05/1122074305.db2.gz PYDUYGKLHQHQJW-ROUUACIJSA-N 1 1 270.420 3.979 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)s1 ZINC000421381728 1122104157 /nfs/dbraw/zinc/10/41/57/1122104157.db2.gz AZKMKHNOGZVSPK-CYBMUJFWSA-N 1 1 260.406 3.632 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)c(F)c1 ZINC000421357276 1122105734 /nfs/dbraw/zinc/10/57/34/1122105734.db2.gz NCQKTULBYXYWTN-UHFFFAOYSA-N 1 1 297.377 3.547 20 30 CHEDMO C=C(C)CNC(=O)[C@H](c1ccccc1)[N@H+](CC)CCCC ZINC001182237966 1122125643 /nfs/dbraw/zinc/12/56/43/1122125643.db2.gz YTWCHUWAODEZOQ-KRWDZBQOSA-N 1 1 288.435 3.542 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001182542127 1122174887 /nfs/dbraw/zinc/17/48/87/1122174887.db2.gz BKSXFHAOLIIWFN-HNNXBMFYSA-N 1 1 289.444 3.523 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc2ccccc2c(OC)c1 ZINC001182979398 1122200803 /nfs/dbraw/zinc/20/08/03/1122200803.db2.gz XJVJFPANDFRNFP-UHFFFAOYSA-N 1 1 255.361 3.856 20 30 CHEDMO Cc1scc(C[N@@H+](C)CCc2cccc(C#N)c2)c1C ZINC001183428904 1122222268 /nfs/dbraw/zinc/22/22/68/1122222268.db2.gz MRZBAPMLMLPNJX-UHFFFAOYSA-N 1 1 284.428 3.911 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1F ZINC000503635690 1122272828 /nfs/dbraw/zinc/27/28/28/1122272828.db2.gz WUFQRFPWISSVOR-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1F ZINC000503635690 1122272830 /nfs/dbraw/zinc/27/28/30/1122272830.db2.gz WUFQRFPWISSVOR-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC=CO1 ZINC000774837174 1122323345 /nfs/dbraw/zinc/32/33/45/1122323345.db2.gz BEMPQFMAFPJBPF-GOSISDBHSA-N 1 1 284.403 3.709 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)cc2)CC12CCC2 ZINC000430099195 1122404309 /nfs/dbraw/zinc/40/43/09/1122404309.db2.gz SYYAJKLHRILZHE-INIZCTEOSA-N 1 1 254.377 3.569 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1OC ZINC000775090735 1122421682 /nfs/dbraw/zinc/42/16/82/1122421682.db2.gz WZNJFBJJDOFAKT-QGZVFWFLSA-N 1 1 298.361 3.947 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000505663643 1122457747 /nfs/dbraw/zinc/45/77/47/1122457747.db2.gz QYHGVIKKUPTLHQ-HNNXBMFYSA-N 1 1 282.387 3.630 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000505663643 1122457752 /nfs/dbraw/zinc/45/77/52/1122457752.db2.gz QYHGVIKKUPTLHQ-HNNXBMFYSA-N 1 1 282.387 3.630 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2ccc(F)nc2)CCCC1(C)C ZINC000775180561 1122469550 /nfs/dbraw/zinc/46/95/50/1122469550.db2.gz ZZJCPDLOLYYEAA-CQSZACIVSA-N 1 1 262.372 3.787 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000775184894 1122471127 /nfs/dbraw/zinc/47/11/27/1122471127.db2.gz YDKZINDZYQMSER-GFCCVEGCSA-N 1 1 257.308 3.539 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000775184023 1122471462 /nfs/dbraw/zinc/47/14/62/1122471462.db2.gz SOBYFLWWHRDNAB-OAHLLOKOSA-N 1 1 280.371 3.636 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000515308100 1122490345 /nfs/dbraw/zinc/49/03/45/1122490345.db2.gz DYOYORPPSUWBFC-GDBMZVCRSA-N 1 1 275.440 3.590 20 30 CHEDMO Cc1[nH+]ccn1CCSc1cccc(C#N)c1Cl ZINC001190157774 1122527032 /nfs/dbraw/zinc/52/70/32/1122527032.db2.gz DMGYNSZKCOQRIV-UHFFFAOYSA-N 1 1 277.780 3.509 20 30 CHEDMO CC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001190476340 1122538529 /nfs/dbraw/zinc/53/85/29/1122538529.db2.gz RFFAZQSLMXQZOR-MDASCCDHSA-N 1 1 298.430 3.899 20 30 CHEDMO C#CC[N@H+](CC/C=C/CC)[C@H]1CCc2ccccc21 ZINC001190528549 1122541695 /nfs/dbraw/zinc/54/16/95/1122541695.db2.gz MFDUHFNREHXKMG-QWNKOJSDSA-N 1 1 253.389 3.965 20 30 CHEDMO C#CC[N@H+](C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCc2ccccc21 ZINC001190530044 1122542095 /nfs/dbraw/zinc/54/20/95/1122542095.db2.gz ZBAPLJFOGJHCTB-PKOBYXMFSA-N 1 1 297.442 3.957 20 30 CHEDMO CCc1nc(C)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425538399 1122545027 /nfs/dbraw/zinc/54/50/27/1122545027.db2.gz RUMVIZDMMWJZDX-CYBMUJFWSA-N 1 1 283.375 3.610 20 30 CHEDMO CCc1nc(C)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425538399 1122545034 /nfs/dbraw/zinc/54/50/34/1122545034.db2.gz RUMVIZDMMWJZDX-CYBMUJFWSA-N 1 1 283.375 3.610 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000775399393 1122545349 /nfs/dbraw/zinc/54/53/49/1122545349.db2.gz GHHQVZCICVCDBY-QGZVFWFLSA-N 1 1 278.330 3.552 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(F)c1OC(F)F)C(C)C ZINC001190589611 1122546094 /nfs/dbraw/zinc/54/60/94/1122546094.db2.gz QKTOLNSKTTZCIP-UHFFFAOYSA-N 1 1 273.298 3.824 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CC(F)(F)C1 ZINC000425540116 1122549121 /nfs/dbraw/zinc/54/91/21/1122549121.db2.gz UURLFUDWAFWCCN-NSHDSACASA-N 1 1 264.319 3.596 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000775409808 1122553400 /nfs/dbraw/zinc/55/34/00/1122553400.db2.gz HGWYFKVOHKAOEV-LBPRGKRZSA-N 1 1 272.175 3.896 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccccc1OC(F)F ZINC000505848634 1122560884 /nfs/dbraw/zinc/56/08/84/1122560884.db2.gz WSLGCIXIUAHDTC-UHFFFAOYSA-N 1 1 255.308 3.686 20 30 CHEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1c1ccc(CC)o1 ZINC001191122433 1122575559 /nfs/dbraw/zinc/57/55/59/1122575559.db2.gz QUODDGBGERAEMS-INIZCTEOSA-N 1 1 277.408 3.962 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCC[C@H]1C(=O)OC ZINC001191146578 1122577094 /nfs/dbraw/zinc/57/70/94/1122577094.db2.gz WUEHXSJJXOMPIQ-HZPDHXFCSA-N 1 1 281.440 3.644 20 30 CHEDMO C=CCCCCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC001191132728 1122579499 /nfs/dbraw/zinc/57/94/99/1122579499.db2.gz LAIMJPKGZAOYEQ-UHFFFAOYSA-N 1 1 256.393 3.779 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccn1 ZINC000775446619 1122584998 /nfs/dbraw/zinc/58/49/98/1122584998.db2.gz QCBRWELWTSWTGN-QGZVFWFLSA-N 1 1 283.350 3.579 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)C(C)C)cc1Cl ZINC000505890661 1122587510 /nfs/dbraw/zinc/58/75/10/1122587510.db2.gz DSFKQODJLLNMHF-UHFFFAOYSA-N 1 1 253.773 3.745 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(C(C)C)nc2sc(C)nn21 ZINC000505891701 1122588901 /nfs/dbraw/zinc/58/89/01/1122588901.db2.gz NRCSKVJXLBXDGR-UHFFFAOYSA-N 1 1 292.452 3.621 20 30 CHEDMO CCCCC[N@@H+](CCCOC)Cc1ccc(F)c(C#N)c1 ZINC000505906218 1122599349 /nfs/dbraw/zinc/59/93/49/1122599349.db2.gz MKXSKCMPVHECKG-UHFFFAOYSA-N 1 1 292.398 3.726 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)c1 ZINC000506016215 1122625830 /nfs/dbraw/zinc/62/58/30/1122625830.db2.gz GHZXDVQSBAVYNE-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO C=C(C)CC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC001192021905 1122627132 /nfs/dbraw/zinc/62/71/32/1122627132.db2.gz FNRJUFRADSFLER-UHFFFAOYSA-N 1 1 294.826 3.957 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)COC)cc1 ZINC001205582091 1122631458 /nfs/dbraw/zinc/63/14/58/1122631458.db2.gz HHDJPHCMEGDCCU-WBVHZDCISA-N 1 1 289.419 3.641 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C ZINC000437573396 1122641155 /nfs/dbraw/zinc/64/11/55/1122641155.db2.gz BISPHGWJLWXNNI-CHWSQXEVSA-N 1 1 297.320 3.667 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437586167 1122645020 /nfs/dbraw/zinc/64/50/20/1122645020.db2.gz XRKPIYXFYBHGDX-SJORKVTESA-N 1 1 256.393 3.732 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)C12CC3CC(CC(C3)C1)C2 ZINC001203760361 1122653308 /nfs/dbraw/zinc/65/33/08/1122653308.db2.gz IKLGXUYZRRNVFB-UHFFFAOYSA-N 1 1 280.415 3.959 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438063615 1122673763 /nfs/dbraw/zinc/67/37/63/1122673763.db2.gz QPSSYXUMUJIZFI-QWHCGFSZSA-N 1 1 297.320 3.667 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438175369 1122683548 /nfs/dbraw/zinc/68/35/48/1122683548.db2.gz INOUQMLGHCPSJA-HFTRVMKXSA-N 1 1 271.379 3.830 20 30 CHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000543177669 1122698984 /nfs/dbraw/zinc/69/89/84/1122698984.db2.gz ITYXODKCIFNNPN-INIZCTEOSA-N 1 1 284.403 3.615 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437844265 1122724169 /nfs/dbraw/zinc/72/41/69/1122724169.db2.gz HWCGAKNZDKQYJO-SFHVURJKSA-N 1 1 280.346 3.514 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437844265 1122724173 /nfs/dbraw/zinc/72/41/73/1122724173.db2.gz HWCGAKNZDKQYJO-SFHVURJKSA-N 1 1 280.346 3.514 20 30 CHEDMO C=CCN(C)CC[N@@H+](CC)CC/C=C/c1ccccc1 ZINC001193920932 1122729907 /nfs/dbraw/zinc/72/99/07/1122729907.db2.gz RAWRVXOIQSUBEK-UKTHLTGXSA-N 1 1 272.436 3.530 20 30 CHEDMO C=C(C)COc1cc(C[N@H+](CC)C(C)C)ccc1OC ZINC000506398723 1122732828 /nfs/dbraw/zinc/73/28/28/1122732828.db2.gz YTFRJMYMNVHJLT-UHFFFAOYSA-N 1 1 277.408 3.880 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](OC)C1CCCCC1 ZINC001193942250 1122735190 /nfs/dbraw/zinc/73/51/90/1122735190.db2.gz LNEDZIGMVLKQPY-HZPDHXFCSA-N 1 1 251.414 3.622 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC001193942763 1122735701 /nfs/dbraw/zinc/73/57/01/1122735701.db2.gz PBQZCPVSDOLZSN-FCGDIQPGSA-N 1 1 291.479 3.832 20 30 CHEDMO C#CCOCC[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001194301162 1122763542 /nfs/dbraw/zinc/76/35/42/1122763542.db2.gz WECGRHVENFDVTP-QGZVFWFLSA-N 1 1 273.420 3.664 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000140167729 1122768401 /nfs/dbraw/zinc/76/84/01/1122768401.db2.gz QOHJUOIFKYHXNK-UHFFFAOYSA-N 1 1 282.343 3.783 20 30 CHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444189 1122779673 /nfs/dbraw/zinc/77/96/73/1122779673.db2.gz AUVMSVRCDYZWDX-CQSZACIVSA-N 1 1 294.851 3.929 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(Cl)c1 ZINC000439440027 1122780290 /nfs/dbraw/zinc/78/02/90/1122780290.db2.gz PHDRDMPPANULPD-INIZCTEOSA-N 1 1 285.778 3.877 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(Cl)c1 ZINC000439440027 1122780294 /nfs/dbraw/zinc/78/02/94/1122780294.db2.gz PHDRDMPPANULPD-INIZCTEOSA-N 1 1 285.778 3.877 20 30 CHEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000439455391 1122780737 /nfs/dbraw/zinc/78/07/37/1122780737.db2.gz UIUQLHQKLVOWSF-HNNXBMFYSA-N 1 1 294.851 3.785 20 30 CHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000439455391 1122780742 /nfs/dbraw/zinc/78/07/42/1122780742.db2.gz UIUQLHQKLVOWSF-HNNXBMFYSA-N 1 1 294.851 3.785 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]1(C)CC(C)C ZINC001194534113 1122782078 /nfs/dbraw/zinc/78/20/78/1122782078.db2.gz OHINNBZLPFDNQD-SFHVURJKSA-N 1 1 286.419 3.967 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000426405777 1122786828 /nfs/dbraw/zinc/78/68/28/1122786828.db2.gz SHCIGLJIZYAHSA-CQSZACIVSA-N 1 1 277.433 3.579 20 30 CHEDMO CC#CC[N@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC001194744571 1122794062 /nfs/dbraw/zinc/79/40/62/1122794062.db2.gz ILNMWUAXLFGIHD-UHFFFAOYSA-N 1 1 277.795 3.584 20 30 CHEDMO CC#CC[N@@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC001194744571 1122794067 /nfs/dbraw/zinc/79/40/67/1122794067.db2.gz ILNMWUAXLFGIHD-UHFFFAOYSA-N 1 1 277.795 3.584 20 30 CHEDMO CC1(C)[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000426451919 1122796547 /nfs/dbraw/zinc/79/65/47/1122796547.db2.gz VYMRQZTYFJIQMI-GASCZTMLSA-N 1 1 293.332 3.645 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426469780 1122799334 /nfs/dbraw/zinc/79/93/34/1122799334.db2.gz RKBXURWBYCNEJW-ABAIWWIYSA-N 1 1 260.768 3.586 20 30 CHEDMO CC1(C)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426473184 1122802682 /nfs/dbraw/zinc/80/26/82/1122802682.db2.gz WKUQXGABJLVEDY-UHFFFAOYSA-N 1 1 281.321 3.789 20 30 CHEDMO C=C(C)CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000775613827 1122805723 /nfs/dbraw/zinc/80/57/23/1122805723.db2.gz UUOHCAGLGATGDN-KRWDZBQOSA-N 1 1 285.387 3.781 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCC)c1 ZINC000426548318 1122818251 /nfs/dbraw/zinc/81/82/51/1122818251.db2.gz MAVQWMSTTCIVNO-OAHLLOKOSA-N 1 1 275.392 3.634 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000426551833 1122819114 /nfs/dbraw/zinc/81/91/14/1122819114.db2.gz HUMSYMNEWUKBCT-KRWDZBQOSA-N 1 1 284.403 3.910 20 30 CHEDMO CCCCCCCCCOC(=O)NC[C@@H]1CCC[N@H+]1C ZINC001194919482 1122821986 /nfs/dbraw/zinc/82/19/86/1122821986.db2.gz DSZYDDDOMFAIKA-HNNXBMFYSA-N 1 1 284.444 3.557 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000426569695 1122823774 /nfs/dbraw/zinc/82/37/74/1122823774.db2.gz CUSWXRFVRFKRDB-LOWQCSRCSA-N 1 1 272.348 3.649 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1C ZINC000426572228 1122825242 /nfs/dbraw/zinc/82/52/42/1122825242.db2.gz ABUDYEKYCINDHL-HNNXBMFYSA-N 1 1 275.392 3.553 20 30 CHEDMO C=C(C)CC[N@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000775624746 1122826463 /nfs/dbraw/zinc/82/64/63/1122826463.db2.gz HUJFXTHSZDVJAL-UHFFFAOYSA-N 1 1 288.435 3.704 20 30 CHEDMO C=C(C)CC[N@@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000775624746 1122826470 /nfs/dbraw/zinc/82/64/70/1122826470.db2.gz HUJFXTHSZDVJAL-UHFFFAOYSA-N 1 1 288.435 3.704 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000426578698 1122827510 /nfs/dbraw/zinc/82/75/10/1122827510.db2.gz IURIYHWGOPIMBG-AWEZNQCLSA-N 1 1 281.346 3.871 20 30 CHEDMO C=C(C)CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000775641158 1122849922 /nfs/dbraw/zinc/84/99/22/1122849922.db2.gz IKFUYMSUALCPFR-UHFFFAOYSA-N 1 1 267.413 3.587 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894445153 1122853399 /nfs/dbraw/zinc/85/33/99/1122853399.db2.gz NKHSOCKBAADJRS-MRXNPFEDSA-N 1 1 286.400 3.733 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000894445153 1122853404 /nfs/dbraw/zinc/85/34/04/1122853404.db2.gz NKHSOCKBAADJRS-MRXNPFEDSA-N 1 1 286.400 3.733 20 30 CHEDMO 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CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC001195516160 1122875384 /nfs/dbraw/zinc/87/53/84/1122875384.db2.gz OEFCZKQJZFZHSO-HOCLYGCPSA-N 1 1 274.795 3.976 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CCC23CCCC3)c1 ZINC001195843385 1122893809 /nfs/dbraw/zinc/89/38/09/1122893809.db2.gz NOMSXWRFMYQTIX-UHFFFAOYSA-N 1 1 259.780 3.710 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC001196517405 1122925056 /nfs/dbraw/zinc/92/50/56/1122925056.db2.gz BTXWPZVEAVSXAW-QGZVFWFLSA-N 1 1 265.441 3.707 20 30 CHEDMO C=C(C)COc1cc(C[N@H+](C)[C@H](C)CC)ccc1OC ZINC000507157849 1122933331 /nfs/dbraw/zinc/93/33/31/1122933331.db2.gz CILCIRFOBSZWQU-CQSZACIVSA-N 1 1 277.408 3.880 20 30 CHEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1C(C)C ZINC001205789169 1122938092 /nfs/dbraw/zinc/93/80/92/1122938092.db2.gz KTPBMEUEKDGWDG-WBVHZDCISA-N 1 1 274.383 3.810 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001197058936 1122943664 /nfs/dbraw/zinc/94/36/64/1122943664.db2.gz 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CCCCC[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201737507 1123143222 /nfs/dbraw/zinc/14/32/22/1123143222.db2.gz RAHCGQBSWHHIIR-KRWDZBQOSA-N 1 1 272.392 3.592 20 30 CHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCCCCC)CCO2 ZINC001201754917 1123145890 /nfs/dbraw/zinc/14/58/90/1123145890.db2.gz NKZOPTFMWHXJCU-QZTJIDSGSA-N 1 1 295.467 3.640 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001201804492 1123150713 /nfs/dbraw/zinc/15/07/13/1123150713.db2.gz LNBCCIXDXLPSFS-OAHLLOKOSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC001201804504 1123150728 /nfs/dbraw/zinc/15/07/28/1123150728.db2.gz MPGQTDKMDBUKIN-UHFFFAOYSA-N 1 1 289.467 3.954 20 30 CHEDMO CCCCCCC[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001201787768 1123152112 /nfs/dbraw/zinc/15/21/12/1123152112.db2.gz LNDCNZHRTBRUDW-UHFFFAOYSA-N 1 1 275.392 3.759 20 30 CHEDMO CCCCCCC[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001201787768 1123152113 /nfs/dbraw/zinc/15/21/13/1123152113.db2.gz LNDCNZHRTBRUDW-UHFFFAOYSA-N 1 1 275.392 3.759 20 30 CHEDMO 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CCCCCCCC[N@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001201839778 1123155259 /nfs/dbraw/zinc/15/52/59/1123155259.db2.gz JBSGPZQDJNPFIL-MRXNPFEDSA-N 1 1 291.439 3.599 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)CCC1OCCO1 ZINC001201875088 1123156731 /nfs/dbraw/zinc/15/67/31/1123156731.db2.gz OZUSMBWKPCRGLJ-UHFFFAOYSA-N 1 1 271.445 3.822 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000507783238 1123184191 /nfs/dbraw/zinc/18/41/91/1123184191.db2.gz ATJZIAUYIYVMFG-UHFFFAOYSA-N 1 1 268.360 3.809 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000665197583 1123226840 /nfs/dbraw/zinc/22/68/40/1123226840.db2.gz GGWHJGRJKRSXSH-AEFFLSMTSA-N 1 1 283.415 3.642 20 30 CHEDMO N#CCCOCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000338924706 1123229138 /nfs/dbraw/zinc/22/91/38/1123229138.db2.gz JOIJOUUWLQPZBD-UHFFFAOYSA-N 1 1 286.419 3.752 20 30 CHEDMO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000850488181 1123274569 /nfs/dbraw/zinc/27/45/69/1123274569.db2.gz LUDBDCOAQNZIQY-KRWDZBQOSA-N 1 1 298.361 3.686 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000428211290 1123282393 /nfs/dbraw/zinc/28/23/93/1123282393.db2.gz LERVKTOHORQSSW-INIZCTEOSA-N 1 1 294.373 3.762 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)c1C#N ZINC000428211381 1123282409 /nfs/dbraw/zinc/28/24/09/1123282409.db2.gz XEEMSENEKDJENW-XNJGSVPQSA-N 1 1 272.367 3.850 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccnc(Cl)c1 ZINC000850549442 1123288778 /nfs/dbraw/zinc/28/87/78/1123288778.db2.gz GRLFOTFXYDKXLL-LBPRGKRZSA-N 1 1 277.799 3.860 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CCCCC1 ZINC000850549620 1123289209 /nfs/dbraw/zinc/28/92/09/1123289209.db2.gz IAWLWFVWVNNTCL-ZDUSSCGKSA-N 1 1 289.810 3.786 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Cl)nc1 ZINC000850551736 1123289800 /nfs/dbraw/zinc/28/98/00/1123289800.db2.gz VEBRMFZXQAUAER-LBPRGKRZSA-N 1 1 277.799 3.860 20 30 CHEDMO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2C)ccc1C#N ZINC000442886081 1123346356 /nfs/dbraw/zinc/34/63/56/1123346356.db2.gz PWFSFYRQDXZYTO-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1cc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1C#N ZINC000442881884 1123347162 /nfs/dbraw/zinc/34/71/62/1123347162.db2.gz BMTTXAVORNAPDQ-FRFSOERESA-N 1 1 284.403 3.720 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000442889875 1123347970 /nfs/dbraw/zinc/34/79/70/1123347970.db2.gz MFCUWHLVGLRCIF-UHFFFAOYSA-N 1 1 299.418 3.719 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000442889875 1123347972 /nfs/dbraw/zinc/34/79/72/1123347972.db2.gz MFCUWHLVGLRCIF-UHFFFAOYSA-N 1 1 299.418 3.719 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000852096887 1123396577 /nfs/dbraw/zinc/39/65/77/1123396577.db2.gz HNBFCJQLHPBJFH-KRWDZBQOSA-N 1 1 268.360 3.542 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000852103333 1123397036 /nfs/dbraw/zinc/39/70/36/1123397036.db2.gz DVENQVIIXGZLNX-INIZCTEOSA-N 1 1 288.778 3.887 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000852099158 1123397199 /nfs/dbraw/zinc/39/71/99/1123397199.db2.gz FUAPYXZDPRATPE-MRXNPFEDSA-N 1 1 290.313 3.511 20 30 CHEDMO CCCCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328798 1123403627 /nfs/dbraw/zinc/40/36/27/1123403627.db2.gz NBUVZDWOFPSHKG-SFHVURJKSA-N 1 1 285.435 3.909 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328798 1123403629 /nfs/dbraw/zinc/40/36/29/1123403629.db2.gz NBUVZDWOFPSHKG-SFHVURJKSA-N 1 1 285.435 3.909 20 30 CHEDMO C#CCC[NH+]1CCN([C@@H](C)c2cccc3ccccc32)CC1 ZINC000776594521 1123405497 /nfs/dbraw/zinc/40/54/97/1123405497.db2.gz KUDAZRAOWHQVKU-KRWDZBQOSA-N 1 1 292.426 3.542 20 30 CHEDMO C=C(Cl)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000852672300 1123411717 /nfs/dbraw/zinc/41/17/17/1123411717.db2.gz BSVIABACYIHTTP-UHFFFAOYSA-N 1 1 277.795 3.599 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc(Cl)c1 ZINC000852685086 1123412007 /nfs/dbraw/zinc/41/20/07/1123412007.db2.gz AIWUKNOXGZLWRF-XHSDSOJGSA-N 1 1 277.795 3.556 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000338953612 1123416999 /nfs/dbraw/zinc/41/69/99/1123416999.db2.gz SNJUKVQIZGLWIU-AWEZNQCLSA-N 1 1 287.432 3.689 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121117819 1123435655 /nfs/dbraw/zinc/43/56/55/1123435655.db2.gz VSJAURIEMLNTAB-UHFFFAOYSA-N 1 1 268.744 3.646 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(-c2cccs2)n1 ZINC000853597514 1123444038 /nfs/dbraw/zinc/44/40/38/1123444038.db2.gz ARTZWYMSSHRUMZ-OKILXGFUSA-N 1 1 285.416 3.752 20 30 CHEDMO CSCc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000895313984 1123453322 /nfs/dbraw/zinc/45/33/22/1123453322.db2.gz PAKFWRNEZWCFPP-AWEZNQCLSA-N 1 1 274.433 3.675 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000776789436 1123506353 /nfs/dbraw/zinc/50/63/53/1123506353.db2.gz IZCBQAPYHKXPEO-OAHLLOKOSA-N 1 1 276.383 3.986 20 30 CHEDMO CCCCCCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855159839 1123508795 /nfs/dbraw/zinc/50/87/95/1123508795.db2.gz IIJYCEYXCDJIAP-OAHLLOKOSA-N 1 1 282.472 3.584 20 30 CHEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776852157 1123543690 /nfs/dbraw/zinc/54/36/90/1123543690.db2.gz PWJVFKDEJPXOMC-KURKYZTESA-N 1 1 253.389 3.668 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000193456990 1123574585 /nfs/dbraw/zinc/57/45/85/1123574585.db2.gz OLHPUHPJCMQXHO-HNNXBMFYSA-N 1 1 261.413 3.910 20 30 CHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339006002 1123617481 /nfs/dbraw/zinc/61/74/81/1123617481.db2.gz MKXVASQTQRFKRR-QGTPRVQTSA-N 1 1 283.419 3.582 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)C2CCCC2)c(O)c(OC)c1 ZINC000194572088 1129134925 /nfs/dbraw/zinc/13/49/25/1129134925.db2.gz NZHCQMSWWWJYSY-UHFFFAOYSA-N 1 1 275.392 3.504 20 30 CHEDMO C=CC[C@H]([NH2+][C@H](C)c1nc(C)cs1)c1ccncc1 ZINC000858365491 1123647887 /nfs/dbraw/zinc/64/78/87/1123647887.db2.gz OIWUFFYSTQISKT-OCCSQVGLSA-N 1 1 273.405 3.815 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000858383652 1123649465 /nfs/dbraw/zinc/64/94/65/1123649465.db2.gz ZTFVDSWIXDGXOT-ZFWWWQNUSA-N 1 1 270.401 3.867 20 30 CHEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000859444326 1123698479 /nfs/dbraw/zinc/69/84/79/1123698479.db2.gz KDKCVQOIXBNRHL-WFASDCNBSA-N 1 1 299.336 3.637 20 30 CHEDMO CC(C)C[N@@H+](CCOC1CCC1)Cc1ccc(C#N)cc1 ZINC000346906843 1123731594 /nfs/dbraw/zinc/73/15/94/1123731594.db2.gz RBGZMZYAVAKTNN-UHFFFAOYSA-N 1 1 286.419 3.585 20 30 CHEDMO C=CCCC[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195173594 1129142614 /nfs/dbraw/zinc/14/26/14/1129142614.db2.gz UPTUMEPSJYJUBX-QGZVFWFLSA-N 1 1 296.455 3.532 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000862445391 1123810817 /nfs/dbraw/zinc/81/08/17/1123810817.db2.gz SCZXOGVMWAWXQH-OAHLLOKOSA-N 1 1 296.439 3.964 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000862445674 1123811003 /nfs/dbraw/zinc/81/10/03/1123811003.db2.gz ZKTVNISRFFNXAJ-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO C#CC[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000862447533 1123811496 /nfs/dbraw/zinc/81/14/96/1123811496.db2.gz NSENZZYMMGXSIV-MOKGIYGOSA-N 1 1 283.415 3.582 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000862538492 1123816966 /nfs/dbraw/zinc/81/69/66/1123816966.db2.gz ADUITHONJIJIAG-UHFFFAOYSA-N 1 1 297.446 3.803 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)n1 ZINC000186259069 1123820172 /nfs/dbraw/zinc/82/01/72/1123820172.db2.gz ZPWFSYCHVHERNK-LJQANCHMSA-N 1 1 291.398 3.907 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1 ZINC000475282198 1123834173 /nfs/dbraw/zinc/83/41/73/1123834173.db2.gz DXVVTYKTBOWCBS-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)cs1 ZINC000186329756 1123850332 /nfs/dbraw/zinc/85/03/32/1123850332.db2.gz WAVOJEHDVGFYFT-LBPRGKRZSA-N 1 1 285.416 3.736 20 30 CHEDMO C#CC[N@H+](CCc1csc(C)n1)[C@H]1CCc2ccccc21 ZINC000119427608 1123864180 /nfs/dbraw/zinc/86/41/80/1123864180.db2.gz VCKNYDOVNXEPFL-SFHVURJKSA-N 1 1 296.439 3.617 20 30 CHEDMO CCCCCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000863540008 1123875881 /nfs/dbraw/zinc/87/58/81/1123875881.db2.gz PKWDGJUPKVCDDW-WBVHZDCISA-N 1 1 262.441 3.505 20 30 CHEDMO C#CCn1cc(-c2ccc(C[N@@H+]3CCC[C@H]3CC)cc2)cn1 ZINC000863692265 1123890226 /nfs/dbraw/zinc/89/02/26/1123890226.db2.gz SZSSIMXBZLRENM-LJQANCHMSA-N 1 1 293.414 3.558 20 30 CHEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)c1 ZINC000428344555 1123915682 /nfs/dbraw/zinc/91/56/82/1123915682.db2.gz GZQOSUSBCAYLLY-MRXNPFEDSA-N 1 1 294.373 3.995 20 30 CHEDMO C=CCc1cc(CNc2cc(C)cc[nH+]2)cc(OC)c1OC ZINC000301637837 1123919877 /nfs/dbraw/zinc/91/98/77/1123919877.db2.gz LGFGAGSYDGPGDR-UHFFFAOYSA-N 1 1 298.386 3.748 20 30 CHEDMO C=CCOc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000301899763 1123941874 /nfs/dbraw/zinc/94/18/74/1123941874.db2.gz YKCJRKUOZPOIBW-UHFFFAOYSA-N 1 1 279.343 3.740 20 30 CHEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277800891 1129155454 /nfs/dbraw/zinc/15/54/54/1129155454.db2.gz UEGSHTHHKUCRPQ-AWEZNQCLSA-N 1 1 259.397 3.794 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(OC)c1OC(F)F ZINC000159001988 1129157117 /nfs/dbraw/zinc/15/71/17/1129157117.db2.gz AOFHAWYPXBGEJM-UHFFFAOYSA-N 1 1 285.334 3.695 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1oc(CCC)nc1C ZINC000428350040 1123982060 /nfs/dbraw/zinc/98/20/60/1123982060.db2.gz CPWZHJLFWIRIRO-UHFFFAOYSA-N 1 1 288.391 3.759 20 30 CHEDMO C#CC[N@H+](CCc1ccccc1)Cc1ccc(C)s1 ZINC000302847956 1123986630 /nfs/dbraw/zinc/98/66/30/1123986630.db2.gz MVUFCPVSCNQPGQ-UHFFFAOYSA-N 1 1 269.413 3.734 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]2CCCC[C@H]21 ZINC000428363226 1124017154 /nfs/dbraw/zinc/01/71/54/1124017154.db2.gz PZURCCCFCLMDNY-HACGYAERSA-N 1 1 272.367 3.708 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(C#N)c1O ZINC000866237203 1124039327 /nfs/dbraw/zinc/03/93/27/1124039327.db2.gz GIEXRXWXZAHKBW-BFQNTYOBSA-N 1 1 296.370 3.831 20 30 CHEDMO CCOC(=O)C[N@@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000444651536 1124048631 /nfs/dbraw/zinc/04/86/31/1124048631.db2.gz HFWFHRVDZZBORV-UHFFFAOYSA-N 1 1 294.439 3.514 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C ZINC000444659261 1124049795 /nfs/dbraw/zinc/04/97/95/1124049795.db2.gz HIKZMJVDKKZYGI-RHSMWYFYSA-N 1 1 256.393 3.959 20 30 CHEDMO C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1cccc(C#N)c1O ZINC000866319825 1124051891 /nfs/dbraw/zinc/05/18/91/1124051891.db2.gz CHOWNLABDFYTBS-LBPRGKRZSA-N 1 1 296.345 3.743 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)ccc1F ZINC000444731804 1124056314 /nfs/dbraw/zinc/05/63/14/1124056314.db2.gz HMSWIMKZTGBWSX-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C(C)C)no2)CCCC1(C)C ZINC000444780029 1124059382 /nfs/dbraw/zinc/05/93/82/1124059382.db2.gz DAOATWKNCBQYSY-ZDUSSCGKSA-N 1 1 277.412 3.760 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@H]2CC[C@H](C)O2)CCCC1(C)C ZINC000444784186 1124061540 /nfs/dbraw/zinc/06/15/40/1124061540.db2.gz MXXPSJISSQOWQT-ZNMIVQPWSA-N 1 1 251.414 3.621 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C)n2CCC)CCCC1(C)C ZINC000444777495 1124064106 /nfs/dbraw/zinc/06/41/06/1124064106.db2.gz FUHPDSYFHFXHBG-HNNXBMFYSA-N 1 1 290.455 3.563 20 30 CHEDMO C=CC[C@@H]1[N@H+](CC[C@H]2CCCO2)CCCC1(C)C ZINC000444777655 1124064473 /nfs/dbraw/zinc/06/44/73/1124064473.db2.gz SXTQHORTHKLPKV-CABCVRRESA-N 1 1 251.414 3.622 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000428378231 1124066476 /nfs/dbraw/zinc/06/64/76/1124066476.db2.gz HZGIVMABPMWDJC-UHFFFAOYSA-N 1 1 277.371 3.643 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)cc1 ZINC000840970758 1124067691 /nfs/dbraw/zinc/06/76/91/1124067691.db2.gz WVBFADVXNGKRHO-KBPBESRZSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000475619524 1124072360 /nfs/dbraw/zinc/07/23/60/1124072360.db2.gz AIEWRCWRRRPPAH-ZDUSSCGKSA-N 1 1 262.422 3.878 20 30 CHEDMO Cc1cccc(CC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001204372005 1129165573 /nfs/dbraw/zinc/16/55/73/1129165573.db2.gz UNIAEIGUBSTGKS-UHFFFAOYSA-N 1 1 264.372 3.541 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCC3(CCCC3)C2)ccc1F ZINC000445857166 1124104219 /nfs/dbraw/zinc/10/42/19/1124104219.db2.gz XAJXFUDXFKCQKU-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO C=CC[N@@H+](Cc1cccc2ccccc21)[C@H](C)COC ZINC000621317732 1129166944 /nfs/dbraw/zinc/16/69/44/1129166944.db2.gz WOMSOQNSFMSEIZ-OAHLLOKOSA-N 1 1 269.388 3.863 20 30 CHEDMO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCc2ccccc21 ZINC000428446109 1124115568 /nfs/dbraw/zinc/11/55/68/1124115568.db2.gz JQVWEMPZRIABLJ-GOSISDBHSA-N 1 1 280.346 3.817 20 30 CHEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCc2ccccc21 ZINC000428446109 1124115570 /nfs/dbraw/zinc/11/55/70/1124115570.db2.gz JQVWEMPZRIABLJ-GOSISDBHSA-N 1 1 280.346 3.817 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000446765689 1124121410 /nfs/dbraw/zinc/12/14/10/1124121410.db2.gz OZACBHOPCUTNQI-UHFFFAOYSA-N 1 1 297.373 3.708 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000446769829 1124121936 /nfs/dbraw/zinc/12/19/36/1124121936.db2.gz SAZGDGPGASJNBD-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428455209 1124126445 /nfs/dbraw/zinc/12/64/45/1124126445.db2.gz FMIDQGVTWAPWCU-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428455209 1124126446 /nfs/dbraw/zinc/12/64/46/1124126446.db2.gz FMIDQGVTWAPWCU-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO CCc1cc(C[N@@H+](C)C[C@H]2CC2(C)C)ccc1C#N ZINC001238779015 1131244409 /nfs/dbraw/zinc/24/44/09/1131244409.db2.gz SHLWDBXCUFXXGQ-MRXNPFEDSA-N 1 1 256.393 3.599 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001238785741 1131247293 /nfs/dbraw/zinc/24/72/93/1131247293.db2.gz RCNQVDGQWCZYPM-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238785741 1131247295 /nfs/dbraw/zinc/24/72/95/1131247295.db2.gz RCNQVDGQWCZYPM-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO CC#CC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000525633036 1124451989 /nfs/dbraw/zinc/45/19/89/1124451989.db2.gz DKQBDEITRGDRRB-UHFFFAOYSA-N 1 1 259.368 3.636 20 30 CHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000525641007 1124453595 /nfs/dbraw/zinc/45/35/95/1124453595.db2.gz OLBFHOSFBGGRHV-QWHCGFSZSA-N 1 1 260.356 3.708 20 30 CHEDMO N#CCC1CC[NH+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142115139 1124464482 /nfs/dbraw/zinc/46/44/82/1124464482.db2.gz YPGAXEVBKOFUPL-UHFFFAOYSA-N 1 1 299.201 3.825 20 30 CHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCCSCC#N ZINC000447388273 1124470306 /nfs/dbraw/zinc/47/03/06/1124470306.db2.gz WLYVICUITRHJMM-ZDUSSCGKSA-N 1 1 254.443 3.534 20 30 CHEDMO CC[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511215 1124482894 /nfs/dbraw/zinc/48/28/94/1124482894.db2.gz SKPFORGXKYGIAD-QFBILLFUSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511215 1124482899 /nfs/dbraw/zinc/48/28/99/1124482899.db2.gz SKPFORGXKYGIAD-QFBILLFUSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H](NC[C@H](CC(C)C)[NH+](C)C)c1ccc(C#N)cc1 ZINC000447539357 1124484329 /nfs/dbraw/zinc/48/43/29/1124484329.db2.gz GVDIFOPNTGDJTC-ROUUACIJSA-N 1 1 287.451 3.575 20 30 CHEDMO C[N@@H+](CCCCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000429723714 1124503974 /nfs/dbraw/zinc/50/39/74/1124503974.db2.gz KTAGREWQSUONHH-IRXDYDNUSA-N 1 1 256.393 3.633 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000447727991 1124511731 /nfs/dbraw/zinc/51/17/31/1124511731.db2.gz KQHMGLHQIRZYMA-UHFFFAOYSA-N 1 1 264.316 3.560 20 30 CHEDMO C=C(Br)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000122712049 1124526360 /nfs/dbraw/zinc/52/63/60/1124526360.db2.gz FGJFTLJEDQPTMD-UHFFFAOYSA-N 1 1 295.007 3.992 20 30 CHEDMO C=C(Br)C[NH2+]Cc1cccc(Cl)c1Cl ZINC000122712316 1124527042 /nfs/dbraw/zinc/52/70/42/1124527042.db2.gz NYIROYIAEJPOOM-UHFFFAOYSA-N 1 1 295.007 3.992 20 30 CHEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1C(C)(C)C ZINC001205960651 1124596102 /nfs/dbraw/zinc/59/61/02/1124596102.db2.gz XFTJIGJPRAMREO-UHFFFAOYSA-N 1 1 288.435 3.974 20 30 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C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000131108146 1125373334 /nfs/dbraw/zinc/37/33/34/1125373334.db2.gz CRYURTNPVREITK-HNNXBMFYSA-N 1 1 297.402 3.822 20 30 CHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000883171660 1125374783 /nfs/dbraw/zinc/37/47/83/1125374783.db2.gz FBTWTEKKMFGSGA-RTBURBONSA-N 1 1 298.474 3.638 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1cn(CC=C)nn1)c1ccccc1 ZINC000883230795 1125381332 /nfs/dbraw/zinc/38/13/32/1125381332.db2.gz QOPPCDGAWDPIMZ-SFHVURJKSA-N 1 1 296.418 3.651 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)nc1 ZINC000179122508 1125382770 /nfs/dbraw/zinc/38/27/70/1125382770.db2.gz SKQZRBAOKPFHEQ-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000610859911 1125384339 /nfs/dbraw/zinc/38/43/39/1125384339.db2.gz UXCGASJKVPMAII-UHFFFAOYSA-N 1 1 288.435 3.735 20 30 CHEDMO CC(C)C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352834355 1125399074 /nfs/dbraw/zinc/39/90/74/1125399074.db2.gz 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C=CCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000735492940 1129349782 /nfs/dbraw/zinc/34/97/82/1129349782.db2.gz LAJXPQJPQJYWJH-VYDXJSESSA-N 1 1 259.393 3.803 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795575548 1129373246 /nfs/dbraw/zinc/37/32/46/1129373246.db2.gz WMUOVIIMEVUBJH-HNNXBMFYSA-N 1 1 279.836 3.920 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000739844126 1129408941 /nfs/dbraw/zinc/40/89/41/1129408941.db2.gz BVJOPOOEGRGCBG-UHFFFAOYSA-N 1 1 290.407 3.519 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000739844126 1129408943 /nfs/dbraw/zinc/40/89/43/1129408943.db2.gz BVJOPOOEGRGCBG-UHFFFAOYSA-N 1 1 290.407 3.519 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cn1ccc(=S)c2ccccc21 ZINC000739841068 1129409154 /nfs/dbraw/zinc/40/91/54/1129409154.db2.gz DKIOKOJGPLLFNO-UHFFFAOYSA-N 1 1 285.416 3.952 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000739932206 1129409777 /nfs/dbraw/zinc/40/97/77/1129409777.db2.gz YMRLTHLUJQUILZ-OAHLLOKOSA-N 1 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1129541151 /nfs/dbraw/zinc/54/11/51/1129541151.db2.gz LYNMOARVZQXFHQ-SFHVURJKSA-N 1 1 292.467 3.600 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796328192 1129541398 /nfs/dbraw/zinc/54/13/98/1129541398.db2.gz DLKRWWDHXYUVCW-KGLIPLIRSA-N 1 1 295.389 3.840 20 30 CHEDMO CCC[C@]1(C)CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743872291 1129542980 /nfs/dbraw/zinc/54/29/80/1129542980.db2.gz MIZQVUWJSVBENY-GOSISDBHSA-N 1 1 286.419 3.991 20 30 CHEDMO C=CCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743874134 1129543331 /nfs/dbraw/zinc/54/33/31/1129543331.db2.gz SVPZMWBUDYWDRY-UHFFFAOYSA-N 1 1 284.197 3.553 20 30 CHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796362853 1129548497 /nfs/dbraw/zinc/54/84/97/1129548497.db2.gz YXQMLBHQBCTOQP-IBGZPJMESA-N 1 1 294.398 3.526 20 30 CHEDMO C=C(C)C[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000181305909 1129552154 /nfs/dbraw/zinc/55/21/54/1129552154.db2.gz BTRZUMLSAWVAKI-UHFFFAOYSA-N 1 1 288.435 3.838 20 30 CHEDMO C#CC[N@@H+](Cn1ccn(C(C)C)c1=S)C1CCCCC1 ZINC000744153784 1129556297 /nfs/dbraw/zinc/55/62/97/1129556297.db2.gz GTZWIEJWRYHVDV-UHFFFAOYSA-N 1 1 291.464 3.825 20 30 CHEDMO C#CC[N@H+](Cn1ccn(C(C)C)c1=S)C1CCCCC1 ZINC000744153784 1129556300 /nfs/dbraw/zinc/55/63/00/1129556300.db2.gz GTZWIEJWRYHVDV-UHFFFAOYSA-N 1 1 291.464 3.825 20 30 CHEDMO C=CCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000828334294 1131382851 /nfs/dbraw/zinc/38/28/51/1131382851.db2.gz RRUJLZNPGODUIV-HUUCEWRRSA-N 1 1 296.455 3.578 20 30 CHEDMO C=CCC[N@H+](Cc1cscn1)Cc1ccccc1 ZINC001137596079 1131382959 /nfs/dbraw/zinc/38/29/59/1131382959.db2.gz BBYAERGWMWXJNE-UHFFFAOYSA-N 1 1 258.390 3.721 20 30 CHEDMO C=CCC[N@@H+](Cc1cscn1)Cc1ccccc1 ZINC001137596079 1131382963 /nfs/dbraw/zinc/38/29/63/1131382963.db2.gz BBYAERGWMWXJNE-UHFFFAOYSA-N 1 1 258.390 3.721 20 30 CHEDMO C=CCC[C@H](C)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001258725880 1129584043 /nfs/dbraw/zinc/58/40/43/1129584043.db2.gz NZVCUTZNQQVERL-LBPRGKRZSA-N 1 1 286.341 3.929 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000745261466 1129601829 /nfs/dbraw/zinc/60/18/29/1129601829.db2.gz WJCNKKJCADRANM-AWEZNQCLSA-N 1 1 295.213 3.740 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000745261466 1129601832 /nfs/dbraw/zinc/60/18/32/1129601832.db2.gz WJCNKKJCADRANM-AWEZNQCLSA-N 1 1 295.213 3.740 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001137610776 1131384666 /nfs/dbraw/zinc/38/46/66/1131384666.db2.gz FUMDWYSKWYGHPE-BBWFWOEESA-N 1 1 296.499 3.924 20 30 CHEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745345907 1129602850 /nfs/dbraw/zinc/60/28/50/1129602850.db2.gz NGPLOKCQTPJUSU-CVEARBPZSA-N 1 1 297.487 3.519 20 30 CHEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745345910 1129603206 /nfs/dbraw/zinc/60/32/06/1129603206.db2.gz NGPLOKCQTPJUSU-JKSUJKDBSA-N 1 1 297.487 3.519 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000822525276 1131384978 /nfs/dbraw/zinc/38/49/78/1131384978.db2.gz DBQMZDMXPKTRLF-AWEZNQCLSA-N 1 1 292.382 3.781 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC001168885252 1129681955 /nfs/dbraw/zinc/68/19/55/1129681955.db2.gz JOFXSXSNEFULGZ-LSDHHAIUSA-N 1 1 255.446 3.686 20 30 CHEDMO C#CC[N@H+](CC)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000746138619 1129627889 /nfs/dbraw/zinc/62/78/89/1129627889.db2.gz CSJBJZVGRPBXQF-LLVKDONJSA-N 1 1 255.283 3.722 20 30 CHEDMO CSc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1F ZINC000418143571 1129637639 /nfs/dbraw/zinc/63/76/39/1129637639.db2.gz QJEDVIWBFCCSIX-LLVKDONJSA-N 1 1 278.396 3.892 20 30 CHEDMO C=CCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000649244652 1129638818 /nfs/dbraw/zinc/63/88/18/1129638818.db2.gz OHOWLPAHACKLQF-MRXNPFEDSA-N 1 1 263.356 3.555 20 30 CHEDMO C#CC[N@H+](Cc1cnccc1C)[C@@H]1CCc2ccccc21 ZINC000746451006 1129664435 /nfs/dbraw/zinc/66/44/35/1129664435.db2.gz QITUXARTWDXDJZ-LJQANCHMSA-N 1 1 276.383 3.513 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000746454275 1129664734 /nfs/dbraw/zinc/66/47/34/1129664734.db2.gz SNVKFUGHZPCHCW-HNNXBMFYSA-N 1 1 263.429 3.950 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000649703296 1129672157 /nfs/dbraw/zinc/67/21/57/1129672157.db2.gz ZSPWUZJLFCWSGZ-QGZVFWFLSA-N 1 1 291.822 3.581 20 30 CHEDMO CC[N@@H+](CCC1CC1)Cc1cc(Cl)cc(C#N)c1 ZINC001169014118 1129690091 /nfs/dbraw/zinc/69/00/91/1129690091.db2.gz LUPFTSALCXBVQY-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO CCCCCCC[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000796429074 1129710741 /nfs/dbraw/zinc/71/07/41/1129710741.db2.gz NERWOHTYOABASV-HOTGVXAUSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796429074 1129710744 /nfs/dbraw/zinc/71/07/44/1129710744.db2.gz NERWOHTYOABASV-HOTGVXAUSA-N 1 1 252.446 3.515 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)C1CCN(CC)CC1 ZINC001169258607 1129713600 /nfs/dbraw/zinc/71/36/00/1129713600.db2.gz OLIRWLUHLRPMJV-UHFFFAOYSA-N 1 1 272.436 3.549 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000796431372 1129714489 /nfs/dbraw/zinc/71/44/89/1129714489.db2.gz XKRWQRCULXIIMQ-IRXDYDNUSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796431372 1129714492 /nfs/dbraw/zinc/71/44/92/1129714492.db2.gz XKRWQRCULXIIMQ-IRXDYDNUSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1ccnc(C)n1 ZINC000796456491 1129730008 /nfs/dbraw/zinc/73/00/08/1129730008.db2.gz OJXXJXKKZVXRCZ-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000651815821 1129749780 /nfs/dbraw/zinc/74/97/80/1129749780.db2.gz NZPULHNMFBPEIS-WDEREUQCSA-N 1 1 297.349 3.721 20 30 CHEDMO C#CCCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000766916084 1129770100 /nfs/dbraw/zinc/77/01/00/1129770100.db2.gz BHNRPCMERLEANE-KRWDZBQOSA-N 1 1 281.403 3.514 20 30 CHEDMO C#CCCC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000766904905 1129770454 /nfs/dbraw/zinc/77/04/54/1129770454.db2.gz DTGXAIQFRBALSZ-ZBFHGGJFSA-N 1 1 259.418 3.578 20 30 CHEDMO C#CCCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000766905408 1129770726 /nfs/dbraw/zinc/77/07/26/1129770726.db2.gz GNHVMNQHBPMISK-AWEZNQCLSA-N 1 1 284.428 3.889 20 30 CHEDMO Cc1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001137673783 1131396950 /nfs/dbraw/zinc/39/69/50/1131396950.db2.gz RRMLWYSNEKJRFI-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001137673783 1131396952 /nfs/dbraw/zinc/39/69/52/1131396952.db2.gz RRMLWYSNEKJRFI-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000768153882 1129836848 /nfs/dbraw/zinc/83/68/48/1129836848.db2.gz OHGBGIINYDGVGV-UHFFFAOYSA-N 1 1 296.361 3.702 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000768153882 1129836853 /nfs/dbraw/zinc/83/68/53/1129836853.db2.gz OHGBGIINYDGVGV-UHFFFAOYSA-N 1 1 296.361 3.702 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000768153362 1129836886 /nfs/dbraw/zinc/83/68/86/1129836886.db2.gz FALGWNUHMMKSNF-UHFFFAOYSA-N 1 1 286.419 3.772 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000768153362 1129836888 /nfs/dbraw/zinc/83/68/88/1129836888.db2.gz FALGWNUHMMKSNF-UHFFFAOYSA-N 1 1 286.419 3.772 20 30 CHEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000276237883 1129844804 /nfs/dbraw/zinc/84/48/04/1129844804.db2.gz ORSLVXDXEUBSGI-NXEZZACHSA-N 1 1 256.271 3.658 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768262295 1129848692 /nfs/dbraw/zinc/84/86/92/1129848692.db2.gz IOUPKKHUPBIJRT-GFCCVEGCSA-N 1 1 281.384 3.684 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768337090 1129851011 /nfs/dbraw/zinc/85/10/11/1129851011.db2.gz ALVSCVJYRZNBCJ-KBPBESRZSA-N 1 1 260.381 3.598 20 30 CHEDMO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768330084 1129851259 /nfs/dbraw/zinc/85/12/59/1129851259.db2.gz NRBBAUFEXYGRDC-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C(C)C ZINC000768548153 1129863840 /nfs/dbraw/zinc/86/38/40/1129863840.db2.gz XCVQXTVMMYTQLN-UHFFFAOYSA-N 1 1 277.408 3.879 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)cc1C#N ZINC001137703105 1131404010 /nfs/dbraw/zinc/40/40/10/1131404010.db2.gz DPXQTTXTCPYGDG-UHFFFAOYSA-N 1 1 274.408 3.969 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(C#N)c1 ZINC001137704501 1131404308 /nfs/dbraw/zinc/40/43/08/1131404308.db2.gz IWSVRVBEACPEFY-KRWDZBQOSA-N 1 1 298.430 3.969 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(Cl)cc1F)C(C)(C)C ZINC001460805048 1129884100 /nfs/dbraw/zinc/88/41/00/1129884100.db2.gz AAYXBQPGKYQVAR-UHFFFAOYSA-N 1 1 253.748 3.713 20 30 CHEDMO C#CC[N@H+](CC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000769111980 1129891585 /nfs/dbraw/zinc/89/15/85/1129891585.db2.gz UVWIGPQYWPVBAU-UHFFFAOYSA-N 1 1 279.383 3.817 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1cncc2ccccc21 ZINC000769335375 1129903125 /nfs/dbraw/zinc/90/31/25/1129903125.db2.gz JMZXKXNNZRFPLU-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cncc2ccccc21 ZINC000769335375 1129903127 /nfs/dbraw/zinc/90/31/27/1129903127.db2.gz JMZXKXNNZRFPLU-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000829810632 1129913473 /nfs/dbraw/zinc/91/34/73/1129913473.db2.gz SHMQBLAWLSDESR-INIZCTEOSA-N 1 1 280.415 3.723 20 30 CHEDMO C#CC[N@@H+](Cc1ccc2ncccc2c1)C1CCCC1 ZINC000769530369 1129915585 /nfs/dbraw/zinc/91/55/85/1129915585.db2.gz LPIUKVQVYBTKBN-UHFFFAOYSA-N 1 1 264.372 3.613 20 30 CHEDMO C#CC[N@H+](C/C=C\c1ccccc1OC)C1CCCC1 ZINC000769531098 1129915924 /nfs/dbraw/zinc/91/59/24/1129915924.db2.gz SFKWHBHKOOAJDO-NTMALXAHSA-N 1 1 269.388 3.586 20 30 CHEDMO Cc1[nH+]ccn1CCCON=Cc1ccc(C(C)(C)C)cc1 ZINC000769558422 1129917998 /nfs/dbraw/zinc/91/79/98/1129917998.db2.gz SAUZMWHKQXWYBZ-UHFFFAOYSA-N 1 1 299.418 3.930 20 30 CHEDMO C#C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000801545121 1129926420 /nfs/dbraw/zinc/92/64/20/1129926420.db2.gz ZPPIYAUWDSHZJJ-RTBURBONSA-N 1 1 291.394 3.546 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801581560 1129928711 /nfs/dbraw/zinc/92/87/11/1129928711.db2.gz HSBBIZTUNYMXMX-IBGZPJMESA-N 1 1 287.447 3.759 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCCC1(C)C ZINC000769953984 1129931573 /nfs/dbraw/zinc/93/15/73/1129931573.db2.gz QMTAMEXMELBIFU-MSOLQXFVSA-N 1 1 298.430 3.658 20 30 CHEDMO C=C(Br)C[N@H+](CCCC)Cc1ccccc1O ZINC000801599305 1129931683 /nfs/dbraw/zinc/93/16/83/1129931683.db2.gz JTAJGSVKZAUGJE-UHFFFAOYSA-N 1 1 298.224 3.903 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000769960338 1129931890 /nfs/dbraw/zinc/93/18/90/1129931890.db2.gz BIAWVDUCNGGVFT-SECBINFHSA-N 1 1 286.600 3.556 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000769960338 1129931893 /nfs/dbraw/zinc/93/18/93/1129931893.db2.gz BIAWVDUCNGGVFT-SECBINFHSA-N 1 1 286.600 3.556 20 30 CHEDMO COc1ccsc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000769971479 1129932397 /nfs/dbraw/zinc/93/23/97/1129932397.db2.gz PKVDXDNMHJSSNI-SNVBAGLBSA-N 1 1 290.363 3.618 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000801916221 1129957998 /nfs/dbraw/zinc/95/79/98/1129957998.db2.gz ROKNNIICKWJOTC-KXBFYZLASA-N 1 1 294.398 3.905 20 30 CHEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@H](CC)c1ccccc1 ZINC000801913205 1129958543 /nfs/dbraw/zinc/95/85/43/1129958543.db2.gz ABTITOILZGGVJD-DOTOQJQBSA-N 1 1 274.408 3.778 20 30 CHEDMO CCCC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccc(C)o1 ZINC000801915067 1129958733 /nfs/dbraw/zinc/95/87/33/1129958733.db2.gz JDUSMHQNJPWOJF-HUUCEWRRSA-N 1 1 278.396 3.680 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCO[C@H](C)C#N ZINC000801924542 1129959984 /nfs/dbraw/zinc/95/99/84/1129959984.db2.gz WSMUXLJLOAOPSU-SJLPKXTDSA-N 1 1 288.435 3.567 20 30 CHEDMO C[C@H](c1ccc(Cl)cc1)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801930393 1129960749 /nfs/dbraw/zinc/96/07/49/1129960749.db2.gz OPTQHGQKPZCTSN-QWHCGFSZSA-N 1 1 292.810 3.794 20 30 CHEDMO C=CC[N@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000771638674 1129987292 /nfs/dbraw/zinc/98/72/92/1129987292.db2.gz DIQSYMLPPBPEME-UHFFFAOYSA-N 1 1 253.345 3.696 20 30 CHEDMO C=CC[C@H]([NH2+][C@H](C)c1nccs1)c1ccncc1 ZINC000772457612 1130024582 /nfs/dbraw/zinc/02/45/82/1130024582.db2.gz XZPJOUNWJGEYSF-YPMHNXCESA-N 1 1 259.378 3.506 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1O)[C@@H]1CCc2ccccc21 ZINC000772600748 1130033134 /nfs/dbraw/zinc/03/31/34/1130033134.db2.gz YOPFHSKQUFKXGT-GOSISDBHSA-N 1 1 277.367 3.515 20 30 CHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902731211 1130045667 /nfs/dbraw/zinc/04/56/67/1130045667.db2.gz WLGBHIZUPCLALV-KGLIPLIRSA-N 1 1 295.386 3.682 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1OC ZINC000902741400 1130049871 /nfs/dbraw/zinc/04/98/71/1130049871.db2.gz QHWZPTPCSOLEHH-CJNGLKHVSA-N 1 1 295.386 3.764 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1cccc(C#N)c1 ZINC000902889333 1130078411 /nfs/dbraw/zinc/07/84/11/1130078411.db2.gz HHNQLZQWJDQUKB-WFASDCNBSA-N 1 1 297.406 3.602 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(OCC)cc(CC=C)c1O ZINC000786102802 1130078645 /nfs/dbraw/zinc/07/86/45/1130078645.db2.gz VUDNUDLMWHMLHP-UHFFFAOYSA-N 1 1 275.392 3.527 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000786443154 1130094167 /nfs/dbraw/zinc/09/41/67/1130094167.db2.gz HKNHWVRUDIKXIX-AWEZNQCLSA-N 1 1 282.387 3.675 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1O ZINC000903033070 1130102863 /nfs/dbraw/zinc/10/28/63/1130102863.db2.gz OTYFEWBNNHPCKP-JTQLQIEISA-N 1 1 298.308 3.755 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc2ccccc2n1 ZINC000903032758 1130102951 /nfs/dbraw/zinc/10/29/51/1130102951.db2.gz WYAKKDDCXMMGRL-CYBMUJFWSA-N 1 1 265.360 3.579 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1Cl ZINC000903032133 1130102973 /nfs/dbraw/zinc/10/29/73/1130102973.db2.gz QLCISYFHXKYYJK-NSHDSACASA-N 1 1 278.783 3.693 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc2ccccc2n1 ZINC000903032759 1130103036 /nfs/dbraw/zinc/10/30/36/1130103036.db2.gz WYAKKDDCXMMGRL-ZDUSSCGKSA-N 1 1 265.360 3.579 20 30 CHEDMO CCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000903032159 1130103234 /nfs/dbraw/zinc/10/32/34/1130103234.db2.gz QXCPFAWDGUDHQV-AWEZNQCLSA-N 1 1 272.392 3.820 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1cscn1)c1cccc(C#N)c1 ZINC000903048494 1130105353 /nfs/dbraw/zinc/10/53/53/1130105353.db2.gz NORHAJCJOIOKKY-RISCZKNCSA-N 1 1 271.389 3.817 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000903100332 1130111516 /nfs/dbraw/zinc/11/15/16/1130111516.db2.gz NZHROLJVYLMQKP-MRVPVSSYSA-N 1 1 286.206 3.776 20 30 CHEDMO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)CCCS2 ZINC000903102345 1130112489 /nfs/dbraw/zinc/11/24/89/1130112489.db2.gz WMBUKTVANVLPBW-CQSZACIVSA-N 1 1 290.432 3.762 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000903107773 1130114924 /nfs/dbraw/zinc/11/49/24/1130114924.db2.gz DXRGLHSXIMOXPD-LLVKDONJSA-N 1 1 264.319 3.699 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCOc3ccccc32)CCCC1 ZINC000903109039 1130114991 /nfs/dbraw/zinc/11/49/91/1130114991.db2.gz KWFCZRKKQHCPGM-HNNXBMFYSA-N 1 1 270.376 3.574 20 30 CHEDMO C#CC[N@@H+](Cc1scnc1C1CC1)C1CCCCC1 ZINC000787132509 1130132337 /nfs/dbraw/zinc/13/23/37/1130132337.db2.gz MELKBCMGRAMIBH-UHFFFAOYSA-N 1 1 274.433 3.788 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000787337714 1130148404 /nfs/dbraw/zinc/14/84/04/1130148404.db2.gz PZABYLDMKLUKGF-CQSZACIVSA-N 1 1 272.392 3.742 20 30 CHEDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)CCC#N ZINC000787770810 1130162898 /nfs/dbraw/zinc/16/28/98/1130162898.db2.gz XFSDEKSLTOEXDE-HNNXBMFYSA-N 1 1 273.424 3.514 20 30 CHEDMO N#Cc1cccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)c1 ZINC000788518154 1130193069 /nfs/dbraw/zinc/19/30/69/1130193069.db2.gz GKARXYFZZDTMRO-INIZCTEOSA-N 1 1 298.773 3.573 20 30 CHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCCC(C)C)C1 ZINC001170090819 1130214628 /nfs/dbraw/zinc/21/46/28/1130214628.db2.gz QBUGCHFKTIWQPL-HZPDHXFCSA-N 1 1 296.455 3.578 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cn(C)nc2C)cc1 ZINC001240305201 1130259211 /nfs/dbraw/zinc/25/92/11/1130259211.db2.gz PFJPGHJCCYLKRA-SFHVURJKSA-N 1 1 281.403 3.718 20 30 CHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000789586728 1130261096 /nfs/dbraw/zinc/26/10/96/1130261096.db2.gz OCTQEGHSBGMBBS-IKGGRYGDSA-N 1 1 299.462 3.903 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001139350439 1130262932 /nfs/dbraw/zinc/26/29/32/1130262932.db2.gz LCEFQWOCABCGSU-JTQLQIEISA-N 1 1 299.237 3.636 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cscc2Br)CC1 ZINC001139350439 1130262937 /nfs/dbraw/zinc/26/29/37/1130262937.db2.gz LCEFQWOCABCGSU-JTQLQIEISA-N 1 1 299.237 3.636 20 30 CHEDMO CCC#C[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000677048217 1130283730 /nfs/dbraw/zinc/28/37/30/1130283730.db2.gz QCNSHZGIRZRBJF-SNVBAGLBSA-N 1 1 286.238 3.744 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000677048217 1130283733 /nfs/dbraw/zinc/28/37/33/1130283733.db2.gz QCNSHZGIRZRBJF-SNVBAGLBSA-N 1 1 286.238 3.744 20 30 CHEDMO CCN(C)c1ccc(C=[NH+]Nc2cccc(Cl)c2)cn1 ZINC000790141285 1130291694 /nfs/dbraw/zinc/29/16/94/1130291694.db2.gz CMECZVQQYMEBSU-UHFFFAOYSA-N 1 1 288.782 3.637 20 30 CHEDMO Cc1cccnc1N=NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000790192977 1130297357 /nfs/dbraw/zinc/29/73/57/1130297357.db2.gz MJQUCIIKHXVKBC-UHFFFAOYSA-N 1 1 293.374 3.607 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000677477907 1130312950 /nfs/dbraw/zinc/31/29/50/1130312950.db2.gz DFMUCGTZGNPMOJ-CYBMUJFWSA-N 1 1 277.433 3.651 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000677565270 1130315842 /nfs/dbraw/zinc/31/58/42/1130315842.db2.gz ZQWSGJUTFFZJKD-UHFFFAOYSA-N 1 1 258.390 3.818 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000677565270 1130315845 /nfs/dbraw/zinc/31/58/45/1130315845.db2.gz ZQWSGJUTFFZJKD-UHFFFAOYSA-N 1 1 258.390 3.818 20 30 CHEDMO SCc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001240477629 1130323523 /nfs/dbraw/zinc/32/35/23/1130323523.db2.gz VEJATVYFQLGKEI-UHFFFAOYSA-N 1 1 299.439 3.616 20 30 CHEDMO C=CC[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C(C)C ZINC000791450393 1130375784 /nfs/dbraw/zinc/37/57/84/1130375784.db2.gz YBBJEZGLTBIZON-IBGZPJMESA-N 1 1 283.415 3.640 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000678239455 1130376803 /nfs/dbraw/zinc/37/68/03/1130376803.db2.gz DPKHEBKVGXDWHF-KRWDZBQOSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2C2CC2)cc(OC)c1O ZINC000678240373 1130379278 /nfs/dbraw/zinc/37/92/78/1130379278.db2.gz XOOOOYZAWZQNAX-MRXNPFEDSA-N 1 1 287.403 3.504 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000791569231 1130382291 /nfs/dbraw/zinc/38/22/91/1130382291.db2.gz STBZQXIVIVJZBM-LJQANCHMSA-N 1 1 281.399 3.798 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(F)c1 ZINC000791566678 1130385566 /nfs/dbraw/zinc/38/55/66/1130385566.db2.gz CONWDZUYVSAXTB-IBGZPJMESA-N 1 1 299.389 3.937 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2ccc(F)cc12 ZINC001137340042 1130429797 /nfs/dbraw/zinc/42/97/97/1130429797.db2.gz OBPIQMWRJYNUFW-UHFFFAOYSA-N 1 1 273.355 3.823 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(F)cc12 ZINC001137340042 1130429799 /nfs/dbraw/zinc/42/97/99/1130429799.db2.gz OBPIQMWRJYNUFW-UHFFFAOYSA-N 1 1 273.355 3.823 20 30 CHEDMO CCCCCCCCCN1CCC([NH+](C)C)CC1 ZINC000792208413 1130434002 /nfs/dbraw/zinc/43/40/02/1130434002.db2.gz HELPGSFCHSHZGR-UHFFFAOYSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCC[NH+]1CCC(N(C)C)CC1 ZINC000792208413 1130434006 /nfs/dbraw/zinc/43/40/06/1130434006.db2.gz HELPGSFCHSHZGR-UHFFFAOYSA-N 1 1 254.462 3.763 20 30 CHEDMO C=CC[N@H+](Cc1cc(OC)ccc1Cl)C(C)C ZINC000792206586 1130439500 /nfs/dbraw/zinc/43/95/00/1130439500.db2.gz PDIGMJAWZSMHCA-UHFFFAOYSA-N 1 1 253.773 3.745 20 30 CHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001170163940 1130441390 /nfs/dbraw/zinc/44/13/90/1130441390.db2.gz WOGIOHANCUFNAG-HNAYVOBHSA-N 1 1 291.398 3.926 20 30 CHEDMO N#CCC[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000792282321 1130442502 /nfs/dbraw/zinc/44/25/02/1130442502.db2.gz RQDFQCPKVWECLD-IBGZPJMESA-N 1 1 274.367 3.673 20 30 CHEDMO C[N@H+]1CC[C@@H](c2ccc(NCc3ccc(C#N)s3)cc2)C1 ZINC001170208514 1130459164 /nfs/dbraw/zinc/45/91/64/1130459164.db2.gz JUBKZHWIDKNZGY-CQSZACIVSA-N 1 1 297.427 3.651 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCO[C@H](CC)C1 ZINC001170233519 1130463460 /nfs/dbraw/zinc/46/34/60/1130463460.db2.gz GROOPRBRDJAKDN-IAGOWNOFSA-N 1 1 259.393 3.632 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001170293057 1130475120 /nfs/dbraw/zinc/47/51/20/1130475120.db2.gz JVOBNJWDOAIHHL-DOMZBBRYSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001170293057 1130475122 /nfs/dbraw/zinc/47/51/22/1130475122.db2.gz JVOBNJWDOAIHHL-DOMZBBRYSA-N 1 1 262.784 3.507 20 30 CHEDMO C=CCCCNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001170298645 1130476482 /nfs/dbraw/zinc/47/64/82/1130476482.db2.gz IFDSJIGALOPSBH-HNNXBMFYSA-N 1 1 273.424 3.834 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001170398377 1130489352 /nfs/dbraw/zinc/48/93/52/1130489352.db2.gz PKVJRCWSFFEPCE-WEOZKBJRSA-N 1 1 280.415 3.875 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(C)c(Cl)c1 ZINC001255158015 1130506290 /nfs/dbraw/zinc/50/62/90/1130506290.db2.gz CBLVYEIOLNSNKA-WCQYABFASA-N 1 1 250.773 3.991 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000679360281 1130521869 /nfs/dbraw/zinc/52/18/69/1130521869.db2.gz OPRHMVMZRDKQFY-AWEZNQCLSA-N 1 1 277.408 3.880 20 30 CHEDMO CC[C@@H](C)CO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000793161100 1130522893 /nfs/dbraw/zinc/52/28/93/1130522893.db2.gz ZYKAKCJTGFQYFQ-SECBINFHSA-N 1 1 254.761 3.709 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000827271133 1130533678 /nfs/dbraw/zinc/53/36/78/1130533678.db2.gz JNKYIGGAPXQVMZ-LSDHHAIUSA-N 1 1 290.382 3.549 20 30 CHEDMO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CCC1 ZINC000793353090 1130549644 /nfs/dbraw/zinc/54/96/44/1130549644.db2.gz RGLHBSMXBIYIPX-AWEZNQCLSA-N 1 1 272.392 3.599 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000793552294 1130569001 /nfs/dbraw/zinc/56/90/01/1130569001.db2.gz XQTABXJFTBRQSC-HIFRSBDPSA-N 1 1 261.413 3.902 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000758120622 1130598461 /nfs/dbraw/zinc/59/84/61/1130598461.db2.gz UBFICGKBJJAMNE-UHFFFAOYSA-N 1 1 285.313 3.589 20 30 CHEDMO CCc1ccccc1N[NH+]=C(C)c1ccc(N)cc1C ZINC000758108399 1130598612 /nfs/dbraw/zinc/59/86/12/1130598612.db2.gz TZZBTLKSRLPNPV-UHFFFAOYSA-N 1 1 267.376 3.976 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2cccc3ccccc32)CC1 ZINC000758115110 1130598692 /nfs/dbraw/zinc/59/86/92/1130598692.db2.gz ADHXWVFLLGKROO-UHFFFAOYSA-N 1 1 267.376 3.723 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1OC(F)F ZINC000811495965 1130612766 /nfs/dbraw/zinc/61/27/66/1130612766.db2.gz NHEZQELITFQUKD-UKVQZPPCSA-N 1 1 279.330 3.645 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccc(Cl)cc1 ZINC000811516969 1130615038 /nfs/dbraw/zinc/61/50/38/1130615038.db2.gz DQZGYMYHHFIFIO-GOSISDBHSA-N 1 1 299.801 3.951 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000811513551 1130620453 /nfs/dbraw/zinc/62/04/53/1130620453.db2.gz KBUWGQKDVJKYBL-IBGZPJMESA-N 1 1 295.426 3.853 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000758686726 1130621611 /nfs/dbraw/zinc/62/16/11/1130621611.db2.gz IOFNSYNSGJNJIP-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000758686726 1130621615 /nfs/dbraw/zinc/62/16/15/1130621615.db2.gz IOFNSYNSGJNJIP-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=C[C@@H](C#CC(C)(C)C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234425006 1130641985 /nfs/dbraw/zinc/64/19/85/1130641985.db2.gz UPYIKKCYQRLUQE-INIZCTEOSA-N 1 1 283.415 3.657 20 30 CHEDMO C#C[C@H](CCCCC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234420953 1130642045 /nfs/dbraw/zinc/64/20/45/1130642045.db2.gz YJUUDVOXJSFEAC-MRXNPFEDSA-N 1 1 271.404 3.635 20 30 CHEDMO C=CCC(CC=C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234420629 1130642059 /nfs/dbraw/zinc/64/20/59/1130642059.db2.gz WLUPSQSZULDJPN-UHFFFAOYSA-N 1 1 257.377 3.574 20 30 CHEDMO Cc1cccc(C(C)C)c1N=NC1C[C@@H](C)[N@@H+](C)C1 ZINC000812232320 1130674654 /nfs/dbraw/zinc/67/46/54/1130674654.db2.gz DGVVSDBGADILEY-CYBMUJFWSA-N 1 1 259.397 3.610 20 30 CHEDMO C[C@@H]1CC(=NOC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000812235764 1130675861 /nfs/dbraw/zinc/67/58/61/1130675861.db2.gz QDFQMRLMUJGAGL-CQSZACIVSA-N 1 1 272.392 3.596 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)nc1 ZINC000780554545 1130683317 /nfs/dbraw/zinc/68/33/17/1130683317.db2.gz KILYEHZPVCTRSV-UHFFFAOYSA-N 1 1 292.169 3.550 20 30 CHEDMO Cc1ccc2c(C)cc(NCc3ccc(C#N)cn3)[nH+]c2c1 ZINC000780611360 1130686804 /nfs/dbraw/zinc/68/68/04/1130686804.db2.gz ANXRUPIEEUKJLL-UHFFFAOYSA-N 1 1 288.354 3.730 20 30 CHEDMO C=CC[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234993901 1130700548 /nfs/dbraw/zinc/70/05/48/1130700548.db2.gz CKYZIGDJKGRHIK-UHFFFAOYSA-N 1 1 253.345 3.677 20 30 CHEDMO CCCCCCCCCCCN1CCC2(C[NH2+]C2)C1 ZINC001235025105 1130702844 /nfs/dbraw/zinc/70/28/44/1130702844.db2.gz VUSUHPUFOWLSJK-UHFFFAOYSA-N 1 1 266.473 3.813 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000812793106 1130717021 /nfs/dbraw/zinc/71/70/21/1130717021.db2.gz OLXAGWZEICPXMP-MRXNPFEDSA-N 1 1 273.738 3.943 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)CCCCCn1c(C)nc2ccccc21 ZINC000812838247 1130721956 /nfs/dbraw/zinc/72/19/56/1130721956.db2.gz YEPNQLCKMWDZKH-UHFFFAOYSA-N 1 1 297.446 3.859 20 30 CHEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1CC#N ZINC001235522614 1130751464 /nfs/dbraw/zinc/75/14/64/1130751464.db2.gz HPWOGHPIJHMLPH-UHFFFAOYSA-N 1 1 282.362 3.566 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1CC#N ZINC001235530339 1130752887 /nfs/dbraw/zinc/75/28/87/1130752887.db2.gz UVEQNFMSTUIZOB-UHFFFAOYSA-N 1 1 282.362 3.914 20 30 CHEDMO CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)[C@@H](C)CC ZINC001235649079 1130762519 /nfs/dbraw/zinc/76/25/19/1130762519.db2.gz FYEZOAARSJTDLV-NSHDSACASA-N 1 1 266.335 3.847 20 30 CHEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC001235660551 1130763114 /nfs/dbraw/zinc/76/31/14/1130763114.db2.gz FVLKIYZHOYJIKD-ZIAGYGMSSA-N 1 1 290.357 3.849 20 30 CHEDMO N#Cc1cc(F)c(C[N@@H+]2CCCC3(CCC3)C2)c(F)c1 ZINC001235666063 1130764573 /nfs/dbraw/zinc/76/45/73/1130764573.db2.gz IGWJEOICJVQRLM-UHFFFAOYSA-N 1 1 276.330 3.603 20 30 CHEDMO N#Cc1cc(F)c(C[N@H+]2CCCC3(CCC3)C2)c(F)c1 ZINC001235666063 1130764576 /nfs/dbraw/zinc/76/45/76/1130764576.db2.gz IGWJEOICJVQRLM-UHFFFAOYSA-N 1 1 276.330 3.603 20 30 CHEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000783530240 1130835840 /nfs/dbraw/zinc/83/58/40/1130835840.db2.gz XHJKKIJMJLICNV-UHFFFAOYSA-N 1 1 268.744 3.645 20 30 CHEDMO C#CC[C@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccccc1 ZINC000814258601 1130853314 /nfs/dbraw/zinc/85/33/14/1130853314.db2.gz TTXYBEZRQBNBBN-HNNXBMFYSA-N 1 1 293.345 3.889 20 30 CHEDMO CC[C@@H]1CCC[C@H](C=[NH+]n2cc(Br)cn2)C1 ZINC000783856370 1130858893 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LXXYSZCPYNEBNM-UHFFFAOYSA-N 1 1 272.392 3.577 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ccncc21 ZINC001140644342 1131843183 /nfs/dbraw/zinc/84/31/83/1131843183.db2.gz JKCWPGONYFDVTE-FFGGFLGDSA-N 1 1 277.371 3.501 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cc(Br)ccc1C ZINC001140649513 1131844858 /nfs/dbraw/zinc/84/48/58/1131844858.db2.gz UZEMRIKWRUINDB-UHFFFAOYSA-N 1 1 295.224 3.883 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cc(Br)ccc1C ZINC001140649513 1131844863 /nfs/dbraw/zinc/84/48/63/1131844863.db2.gz UZEMRIKWRUINDB-UHFFFAOYSA-N 1 1 295.224 3.883 20 30 CHEDMO C=CCOCCC[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000348102328 1131881411 /nfs/dbraw/zinc/88/14/11/1131881411.db2.gz MTDSEWROWSHLLS-CQSZACIVSA-N 1 1 267.438 3.594 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]c2ccncc12)Cc1ccccc1 ZINC001140804957 1131930432 /nfs/dbraw/zinc/93/04/32/1131930432.db2.gz LRZNTLYSWMWIGJ-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140813068 1131932168 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C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2C(C)(C)C)CC1 ZINC001228996225 1131995597 /nfs/dbraw/zinc/99/55/97/1131995597.db2.gz MNWYSELLEMCTKK-OAHLLOKOSA-N 1 1 286.419 3.719 20 30 CHEDMO C=CC[N@@H+]([C@H]1CCc2c(F)cccc2C1)C(C)(C)C ZINC001171441898 1132019186 /nfs/dbraw/zinc/01/91/86/1132019186.db2.gz NXASYSAAUUVYCL-AWEZNQCLSA-N 1 1 261.384 3.970 20 30 CHEDMO CCC[N@@H+](Cc1sc(N)c(C#N)c1Cl)[C@H](C)CC ZINC001141109540 1132022500 /nfs/dbraw/zinc/02/25/00/1132022500.db2.gz TXMXJDREEUFMQQ-SECBINFHSA-N 1 1 285.844 3.866 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001141166987 1132035263 /nfs/dbraw/zinc/03/52/63/1132035263.db2.gz UHVTXQFTSWBGDO-INIZCTEOSA-N 1 1 290.357 3.802 20 30 CHEDMO CC(C)c1cccc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC001171485617 1132037187 /nfs/dbraw/zinc/03/71/87/1132037187.db2.gz UYEBZMNCZLUSAM-UHFFFAOYSA-N 1 1 281.359 3.568 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490478 1132038414 /nfs/dbraw/zinc/03/84/14/1132038414.db2.gz 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C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001172310831 1132155125 /nfs/dbraw/zinc/15/51/25/1132155125.db2.gz JXHIZUDOLINRFX-HOTGVXAUSA-N 1 1 290.410 3.936 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC12CCCCC2 ZINC001172316979 1132157361 /nfs/dbraw/zinc/15/73/61/1132157361.db2.gz ZLEXKYWXQBHYKA-HNNXBMFYSA-N 1 1 268.404 3.898 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1nccs1 ZINC001172319265 1132158307 /nfs/dbraw/zinc/15/83/07/1132158307.db2.gz LWBXRPKLYWCHCC-XJKSGUPXSA-N 1 1 297.427 3.783 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC001172287296 1132163522 /nfs/dbraw/zinc/16/35/22/1132163522.db2.gz SSXBWHCWQCOCHC-MRXNPFEDSA-N 1 1 259.393 3.632 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+](C)[C@H]1CCN(C)C1 ZINC001172353979 1132183892 /nfs/dbraw/zinc/18/38/92/1132183892.db2.gz CRAQRLADDWXTPP-HOTGVXAUSA-N 1 1 254.462 3.761 20 30 CHEDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001172338838 1132176946 /nfs/dbraw/zinc/17/69/46/1132176946.db2.gz 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ZINC000839185588 1132188072 /nfs/dbraw/zinc/18/80/72/1132188072.db2.gz XIUJPGXXIQLQNT-ZDUSSCGKSA-N 1 1 272.392 3.598 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H]1C ZINC001172364463 1132191045 /nfs/dbraw/zinc/19/10/45/1132191045.db2.gz CCTDDLAWGRLRIG-LBTNJELSSA-N 1 1 268.404 3.741 20 30 CHEDMO CC[C@@H](CC(C)C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172395413 1132218593 /nfs/dbraw/zinc/21/85/93/1132218593.db2.gz GFWCAAOWXHIWDX-KRWDZBQOSA-N 1 1 256.393 3.741 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000839531656 1132222515 /nfs/dbraw/zinc/22/25/15/1132222515.db2.gz MONVQHCWMZKNHG-CYBMUJFWSA-N 1 1 289.810 3.803 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000839531656 1132222520 /nfs/dbraw/zinc/22/25/20/1132222520.db2.gz MONVQHCWMZKNHG-CYBMUJFWSA-N 1 1 289.810 3.803 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000839531656 1132222528 /nfs/dbraw/zinc/22/25/28/1132222528.db2.gz MONVQHCWMZKNHG-CYBMUJFWSA-N 1 1 289.810 3.803 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000839531656 1132222534 /nfs/dbraw/zinc/22/25/34/1132222534.db2.gz MONVQHCWMZKNHG-CYBMUJFWSA-N 1 1 289.810 3.803 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000839667632 1132228836 /nfs/dbraw/zinc/22/88/36/1132228836.db2.gz VBHTVEJHMBWLQW-KRWDZBQOSA-N 1 1 294.483 3.824 20 30 CHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)C1CC(C)(C)C1 ZINC000839663899 1132229180 /nfs/dbraw/zinc/22/91/80/1132229180.db2.gz MFMNIATUSIWCNH-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(OCC#N)cc1 ZINC000839662391 1132229239 /nfs/dbraw/zinc/22/92/39/1132229239.db2.gz XWKLCQTYWXZSCJ-UHFFFAOYSA-N 1 1 284.359 3.513 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H](C)CCCC#N)n1 ZINC001172499567 1132250285 /nfs/dbraw/zinc/25/02/85/1132250285.db2.gz YHZNKVWQXFUAFG-HZPDHXFCSA-N 1 1 296.418 3.989 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001172501376 1132250605 /nfs/dbraw/zinc/25/06/05/1132250605.db2.gz 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Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172507415 1132255535 /nfs/dbraw/zinc/25/55/35/1132255535.db2.gz TZKHYBAUXMTUJV-IAGOWNOFSA-N 1 1 286.419 3.921 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001172508470 1132255824 /nfs/dbraw/zinc/25/58/24/1132255824.db2.gz KOOCRDBRFALCLP-BZSNNMDCSA-N 1 1 299.499 3.581 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+]1CCn2ncnc2C1 ZINC001172507791 1132255643 /nfs/dbraw/zinc/25/56/43/1132255643.db2.gz BPGNUVJLAALYSM-OAHLLOKOSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCn2ncnc2C1 ZINC001172507791 1132255645 /nfs/dbraw/zinc/25/56/45/1132255645.db2.gz BPGNUVJLAALYSM-OAHLLOKOSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001172507878 1132256435 /nfs/dbraw/zinc/25/64/35/1132256435.db2.gz CJWJSMNMFQUFKJ-OKZBNKHCSA-N 1 1 299.499 3.581 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001172507153 1132256507 /nfs/dbraw/zinc/25/65/07/1132256507.db2.gz QDEGMTZGVUOKBS-ZIAGYGMSSA-N 1 1 260.356 3.697 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001172512070 1132258549 /nfs/dbraw/zinc/25/85/49/1132258549.db2.gz YKQROHCDZJVMQE-IKGGRYGDSA-N 1 1 294.483 3.536 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cccc(C(=O)OC)n1 ZINC001231426480 1132293563 /nfs/dbraw/zinc/29/35/63/1132293563.db2.gz ZFUYVKIYNGDOGQ-UHFFFAOYSA-N 1 1 292.423 3.661 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172719766 1132295846 /nfs/dbraw/zinc/29/58/46/1132295846.db2.gz PYBRUNOYYBYWLU-MRXNPFEDSA-N 1 1 276.811 3.823 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OCCCOC)cc1)C(C)(C)C ZINC001231508495 1132308477 /nfs/dbraw/zinc/30/84/77/1132308477.db2.gz OEZKQWXYKQBIKG-UHFFFAOYSA-N 1 1 291.435 3.888 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(Br)c2ccccc12 ZINC001142054175 1132310308 /nfs/dbraw/zinc/31/03/08/1132310308.db2.gz OUMBJFRSOPAAFF-UHFFFAOYSA-N 1 1 288.188 3.667 20 30 CHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC(C)(C)C1 ZINC000840970720 1132314685 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C=CC[N@@H+](C1CCCCC1)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172804609 1132330217 /nfs/dbraw/zinc/33/02/17/1132330217.db2.gz WNQWXBNYHBDNFR-RDJZCZTQSA-N 1 1 293.451 3.929 20 30 CHEDMO C#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001231657384 1132335682 /nfs/dbraw/zinc/33/56/82/1132335682.db2.gz JNILZFMIXHKVMI-LJQANCHMSA-N 1 1 261.368 3.657 20 30 CHEDMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001231648497 1132336570 /nfs/dbraw/zinc/33/65/70/1132336570.db2.gz FVHYPHLGCMUDSB-LBPRGKRZSA-N 1 1 256.374 3.555 20 30 CHEDMO Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001231648497 1132336576 /nfs/dbraw/zinc/33/65/76/1132336576.db2.gz FVHYPHLGCMUDSB-LBPRGKRZSA-N 1 1 256.374 3.555 20 30 CHEDMO C#Cc1cccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001231659506 1132337905 /nfs/dbraw/zinc/33/79/05/1132337905.db2.gz NTOQQZMHVZAGQL-HXUWFJFHSA-N 1 1 296.458 3.508 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1 ZINC001231661774 1132338023 /nfs/dbraw/zinc/33/80/23/1132338023.db2.gz ZDRJSSXAGAMSRP-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/14/17/79/327141779.db2.gz MQMIEJZRMAQYLV-CVTTXWKISA-N 1 1 298.430 3.875 20 30 CHEDMO C[C@H](c1ccccn1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000091701598 327175578 /nfs/dbraw/zinc/17/55/78/327175578.db2.gz VATRFXCSFSAHGR-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@H](c1ccccn1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000091701598 327175580 /nfs/dbraw/zinc/17/55/80/327175580.db2.gz VATRFXCSFSAHGR-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(C#N)s2)c1 ZINC000569432726 327176304 /nfs/dbraw/zinc/17/63/04/327176304.db2.gz XSRHPCYHXUHGKZ-UHFFFAOYSA-N 1 1 270.401 3.869 20 30 CHEDMO CC#CC[N@@H+](C)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000569549251 327196774 /nfs/dbraw/zinc/19/67/74/327196774.db2.gz DPPLSEAYWWZDFT-QGZVFWFLSA-N 1 1 291.822 3.763 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]2CCC[C@@H]21 ZINC000559426035 327245021 /nfs/dbraw/zinc/24/50/21/327245021.db2.gz YPRCDUFEFSEPKE-HOTGVXAUSA-N 1 1 272.367 3.708 20 30 CHEDMO C=CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370878714 327257416 /nfs/dbraw/zinc/25/74/16/327257416.db2.gz DZBCJIUJAXACEV-OAHLLOKOSA-N 1 1 258.752 3.600 20 30 CHEDMO C=CCCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000560221941 327291290 /nfs/dbraw/zinc/29/12/90/327291290.db2.gz PTNCIGJRYLSVRA-LBPRGKRZSA-N 1 1 268.451 3.589 20 30 CHEDMO C=CCCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000560221941 327291291 /nfs/dbraw/zinc/29/12/91/327291291.db2.gz PTNCIGJRYLSVRA-LBPRGKRZSA-N 1 1 268.451 3.589 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000561333234 327386494 /nfs/dbraw/zinc/38/64/94/327386494.db2.gz ULUPGUHPEUGBTL-QAPCUYQASA-N 1 1 273.420 3.977 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000561333235 327386587 /nfs/dbraw/zinc/38/65/87/327386587.db2.gz ULUPGUHPEUGBTL-YJBOKZPZSA-N 1 1 273.420 3.977 20 30 CHEDMO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1 ZINC000562569531 327494981 /nfs/dbraw/zinc/49/49/81/327494981.db2.gz ZPLACYUGSVUGEU-RCBQFDQVSA-N 1 1 280.375 3.501 20 30 CHEDMO C=C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000536733228 328685622 /nfs/dbraw/zinc/68/56/22/328685622.db2.gz WRKZPBPWVJOAGE-UHFFFAOYSA-N 1 1 269.747 3.510 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377784838 329029371 /nfs/dbraw/zinc/02/93/71/329029371.db2.gz PXFASWWIHNJGCP-JKSUJKDBSA-N 1 1 290.451 3.740 20 30 CHEDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000532894487 329060179 /nfs/dbraw/zinc/06/01/79/329060179.db2.gz YFTGKMOEQNDLHV-INIZCTEOSA-N 1 1 294.398 3.939 20 30 CHEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)cc1C#N ZINC000393537326 329087154 /nfs/dbraw/zinc/08/71/54/329087154.db2.gz AZTIBFSVSHUDAT-JKSUJKDBSA-N 1 1 284.403 3.577 20 30 CHEDMO C=CC[N@H+](CCc1scnc1C)Cc1cccc(C#N)c1 ZINC000172530482 329136981 /nfs/dbraw/zinc/13/69/81/329136981.db2.gz RXCAKKUANBSXME-UHFFFAOYSA-N 1 1 297.427 3.554 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000175128392 329163242 /nfs/dbraw/zinc/16/32/42/329163242.db2.gz GRBZRNQDISPPJH-SFHVURJKSA-N 1 1 279.387 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299.418 3.775 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](Cc2c[nH]cn2)C(C)(C)C)cc1 ZINC000179722753 329207841 /nfs/dbraw/zinc/20/78/41/329207841.db2.gz PBEQZYZJXOJQJX-UHFFFAOYSA-N 1 1 299.418 3.775 20 30 CHEDMO C=CCOc1ccc(C[N@H+](Cc2c[nH]cn2)C(C)(C)C)cc1 ZINC000179722753 329207843 /nfs/dbraw/zinc/20/78/43/329207843.db2.gz PBEQZYZJXOJQJX-UHFFFAOYSA-N 1 1 299.418 3.775 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000180243622 329218807 /nfs/dbraw/zinc/21/88/07/329218807.db2.gz QDVYSAAOOROQFF-VXGBXAGGSA-N 1 1 280.462 3.726 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000180243587 329218953 /nfs/dbraw/zinc/21/89/53/329218953.db2.gz QDVYSAAOOROQFF-NWDGAFQWSA-N 1 1 280.462 3.726 20 30 CHEDMO CCCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1OCC ZINC000184097738 329256254 /nfs/dbraw/zinc/25/62/54/329256254.db2.gz GMAIBYPJMAXKCD-OAHLLOKOSA-N 1 1 290.407 3.656 20 30 CHEDMO C=CCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000265818427 330063171 /nfs/dbraw/zinc/06/31/71/330063171.db2.gz RMNPNJFSLMHWHH-HNNXBMFYSA-N 1 1 283.375 3.840 20 30 CHEDMO C=CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CC1 ZINC000271335111 330079342 /nfs/dbraw/zinc/07/93/42/330079342.db2.gz BDRZMVKWNVOZHK-UHFFFAOYSA-N 1 1 277.318 3.582 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccccc2n1C(F)F)C1CC1 ZINC000271335111 330079343 /nfs/dbraw/zinc/07/93/43/330079343.db2.gz BDRZMVKWNVOZHK-UHFFFAOYSA-N 1 1 277.318 3.582 20 30 CHEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000271460284 330079869 /nfs/dbraw/zinc/07/98/69/330079869.db2.gz PPZQRTHBFZHCDO-UHFFFAOYSA-N 1 1 286.419 3.673 20 30 CHEDMO C#CC[C@@H]([NH2+][C@H](C)c1nccs1)c1ccccc1 ZINC000271538695 330081205 /nfs/dbraw/zinc/08/12/05/330081205.db2.gz QOKVRYHSOWYBSX-TZMCWYRMSA-N 1 1 256.374 3.558 20 30 CHEDMO C=C(Cl)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272400024 330085203 /nfs/dbraw/zinc/08/52/03/330085203.db2.gz IYKIDRHIPOILQJ-BJWYYQGGSA-N 1 1 290.838 3.524 20 30 CHEDMO C=C(Cl)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272400027 330085260 /nfs/dbraw/zinc/08/52/60/330085260.db2.gz IYKIDRHIPOILQJ-OSYLJGHBSA-N 1 1 290.838 3.524 20 30 CHEDMO C=C(C)C[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000273273942 330090279 /nfs/dbraw/zinc/09/02/79/330090279.db2.gz FKVNDVDMSQJJGN-LBPRGKRZSA-N 1 1 271.364 3.526 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273515558 330097062 /nfs/dbraw/zinc/09/70/62/330097062.db2.gz PFUCTCIXJITUSH-CVEARBPZSA-N 1 1 263.356 3.554 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)oc1C ZINC000421880071 330102063 /nfs/dbraw/zinc/10/20/63/330102063.db2.gz NZJLPSJSIRRVJW-JTQLQIEISA-N 1 1 260.362 3.680 20 30 CHEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)oc1C ZINC000421880079 330102139 /nfs/dbraw/zinc/10/21/39/330102139.db2.gz NZJLPSJSIRRVJW-SNVBAGLBSA-N 1 1 260.362 3.680 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(C)ccc1C ZINC000527821428 330286448 /nfs/dbraw/zinc/28/64/48/330286448.db2.gz OLJQHCWSPUUKNH-OAHLLOKOSA-N 1 1 285.416 3.873 20 30 CHEDMO Cc1ccc(CC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000532967400 330323400 /nfs/dbraw/zinc/32/34/00/330323400.db2.gz BFYDVSCMIIXQRJ-UHFFFAOYSA-N 1 1 258.409 3.799 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000532968714 330323419 /nfs/dbraw/zinc/32/34/19/330323419.db2.gz MROQXWVPIXGOHN-INIZCTEOSA-N 1 1 282.472 3.699 20 30 CHEDMO C=C(C)C[N@@H+](CC)C/C=C/c1ccc(F)c(F)c1 ZINC000580498557 330350977 /nfs/dbraw/zinc/35/09/77/330350977.db2.gz VGOAMAVXMMHEGG-AATRIKPKSA-N 1 1 251.320 3.876 20 30 CHEDMO C=C(C)C[N@@H+](CC)C/C=C\c1ccc(F)c(F)c1 ZINC000580498558 330351088 /nfs/dbraw/zinc/35/10/88/330351088.db2.gz VGOAMAVXMMHEGG-WAYWQWQTSA-N 1 1 251.320 3.876 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000533241749 330354557 /nfs/dbraw/zinc/35/45/57/330354557.db2.gz LQVMLVIBVIVWMK-MRXNPFEDSA-N 1 1 294.398 3.939 20 30 CHEDMO C=C(CC)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000536893230 330362443 /nfs/dbraw/zinc/36/24/43/330362443.db2.gz LIOHQWKUKWIUHA-DLBZAZTESA-N 1 1 264.457 3.539 20 30 CHEDMO C=C(CC)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000536893230 330362444 /nfs/dbraw/zinc/36/24/44/330362444.db2.gz LIOHQWKUKWIUHA-DLBZAZTESA-N 1 1 264.457 3.539 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000536889520 330363341 /nfs/dbraw/zinc/36/33/41/330363341.db2.gz KMCXQOZTLLOLJX-AWEZNQCLSA-N 1 1 259.349 3.518 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CCCC(=O)c1ccccc1 ZINC000450884700 331004761 /nfs/dbraw/zinc/00/47/61/331004761.db2.gz SRRXLCDTGJXAJZ-INIZCTEOSA-N 1 1 257.377 3.690 20 30 CHEDMO CSc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450909282 331006581 /nfs/dbraw/zinc/00/65/81/331006581.db2.gz SYNZNHWWHATYQH-LBPRGKRZSA-N 1 1 260.406 3.753 20 30 CHEDMO N#CC1(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000451348697 331025239 /nfs/dbraw/zinc/02/52/39/331025239.db2.gz AAGLGPHDBRHZIH-AWEZNQCLSA-N 1 1 278.758 3.824 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCCSCC#N ZINC000451964662 331048604 /nfs/dbraw/zinc/04/86/04/331048604.db2.gz BSNVCEODNWRMNV-MRXNPFEDSA-N 1 1 292.423 3.918 20 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CS[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480842524 1120226991 /nfs/dbraw/zinc/22/69/91/1120226991.db2.gz FQUPVJLJDCPTIM-HNNXBMFYSA-N 1 1 294.851 3.929 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(CC)n1 ZINC000709334908 1120520736 /nfs/dbraw/zinc/52/07/36/1120520736.db2.gz PWWBNVLWMYOVAP-ZIAGYGMSSA-N 1 1 259.397 3.894 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000093383647 1120559890 /nfs/dbraw/zinc/55/98/90/1120559890.db2.gz NQJUMCPYCYYTJN-KYOSRNDESA-N 1 1 260.406 3.773 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662238093 1120909022 /nfs/dbraw/zinc/90/90/22/1120909022.db2.gz RCNAPAMUDKXLNY-XQQFMLRXSA-N 1 1 279.346 3.773 20 30 CHEDMO CCC#C[C@H](C)[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175586553 1121373620 /nfs/dbraw/zinc/37/36/20/1121373620.db2.gz GTQLQRGXNZIPFN-LBPRGKRZSA-N 1 1 261.796 3.808 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175586553 1121373628 /nfs/dbraw/zinc/37/36/28/1121373628.db2.gz 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256.340 3.580 20 30 CHEDMO N#CC[N@H+](CC[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000878121412 1125121759 /nfs/dbraw/zinc/12/17/59/1125121759.db2.gz UMTPBGUTJIGSRS-LBPRGKRZSA-N 1 1 256.340 3.580 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143726132 1131527396 /nfs/dbraw/zinc/52/73/96/1131527396.db2.gz HHDUIJUWMAOJFQ-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143726132 1131527399 /nfs/dbraw/zinc/52/73/99/1131527399.db2.gz HHDUIJUWMAOJFQ-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO C[N@@H+](Cc1c(Cl)cccc1C#N)CC1CC(F)(F)C1 ZINC001143726669 1131527637 /nfs/dbraw/zinc/52/76/37/1131527637.db2.gz XPESROGFFGVKFQ-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO C[N@H+](Cc1c(Cl)cccc1C#N)CC1CC(F)(F)C1 ZINC001143726669 1131527640 /nfs/dbraw/zinc/52/76/40/1131527640.db2.gz XPESROGFFGVKFQ-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC001171209153 1131685443 /nfs/dbraw/zinc/68/54/43/1131685443.db2.gz 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C=CCCCCCCCCC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC001207898636 1133856683 /nfs/dbraw/zinc/85/66/83/1133856683.db2.gz BUSLTUBRFHSOPK-SJORKVTESA-N 1 1 267.457 3.996 20 30 CHEDMO C#CCCC[N@@H+]1Cc2ccc(Br)cc2C[C@@H]1C ZINC001209268583 1133999807 /nfs/dbraw/zinc/99/98/07/1133999807.db2.gz NMWYRJOQYYAUAT-LBPRGKRZSA-N 1 1 292.220 3.609 20 30 CHEDMO C=CCCC[N@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209163196 1133983031 /nfs/dbraw/zinc/98/30/31/1133983031.db2.gz WBLCLAHXJKTCLO-HNNXBMFYSA-N 1 1 296.455 3.674 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001209443288 1134022896 /nfs/dbraw/zinc/02/28/96/1134022896.db2.gz PIHXOXBMHKCRAM-HOTGVXAUSA-N 1 1 289.410 3.648 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000311370133 1135128969 /nfs/dbraw/zinc/12/89/69/1135128969.db2.gz RDFRJHAYRUECQR-ZDUSSCGKSA-N 1 1 281.362 3.736 20 30 CHEDMO CCCCCCCCCCCO[C@@H]1CC[NH2+]CC(=O)C1 ZINC001217828545 1135005675 /nfs/dbraw/zinc/00/56/75/1135005675.db2.gz PMLDPBBYITUMQD-QGZVFWFLSA-N 1 1 283.456 3.855 20 30 CHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC(C)(C)C#N)CCC2 ZINC000119985477 1125540605 /nfs/dbraw/zinc/54/06/05/1125540605.db2.gz NAQGCLYXDCJAHR-CYBMUJFWSA-N 1 1 291.464 3.955 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)CCCSCC#N)c1 ZINC000120592185 1125548442 /nfs/dbraw/zinc/54/84/42/1125548442.db2.gz PEHDAPARVIIVKX-UHFFFAOYSA-N 1 1 292.448 3.552 20 30 CHEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000509670857 1125572917 /nfs/dbraw/zinc/57/29/17/1125572917.db2.gz AMWYZDXHLWMRKZ-QGZVFWFLSA-N 1 1 272.436 3.549 20 30 CHEDMO Cc1cc(C)cc(OCCC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000532816321 1125583957 /nfs/dbraw/zinc/58/39/57/1125583957.db2.gz JAKICZAYPQBLDI-MRXNPFEDSA-N 1 1 286.419 3.696 20 30 CHEDMO Cc1cc(C)cc(OCCC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000532816321 1125583960 /nfs/dbraw/zinc/58/39/60/1125583960.db2.gz JAKICZAYPQBLDI-MRXNPFEDSA-N 1 1 286.419 3.696 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc2cccnc21 ZINC000072691396 1125635176 /nfs/dbraw/zinc/63/51/76/1125635176.db2.gz 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ZINC000886608544 1125696939 /nfs/dbraw/zinc/69/69/39/1125696939.db2.gz AQBJOELEAOQHHE-GJZGRUSLSA-N 1 1 294.320 3.723 20 30 CHEDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000191934386 1125702513 /nfs/dbraw/zinc/70/25/13/1125702513.db2.gz VOAMAWNYUGOHPY-UHFFFAOYSA-N 1 1 290.288 3.608 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000191934386 1125702519 /nfs/dbraw/zinc/70/25/19/1125702519.db2.gz VOAMAWNYUGOHPY-UHFFFAOYSA-N 1 1 290.288 3.608 20 30 CHEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccco1 ZINC000090665714 1125743886 /nfs/dbraw/zinc/74/38/86/1125743886.db2.gz PINXTKLRYIODQV-HIFRSBDPSA-N 1 1 254.333 3.975 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192103725 1125752244 /nfs/dbraw/zinc/75/22/44/1125752244.db2.gz SSZPDPKPUUSNBM-LBPRGKRZSA-N 1 1 284.334 3.596 20 30 CHEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192109358 1125755145 /nfs/dbraw/zinc/75/51/45/1125755145.db2.gz NQTRMAANPYUTPK-HNNXBMFYSA-N 1 1 289.379 3.569 20 30 CHEDMO 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CC(=[NH+]n1cc(Br)cn1)C1CCCCCC1 ZINC000783856779 1130860443 /nfs/dbraw/zinc/86/04/43/1130860443.db2.gz KDFJSVRXGJJMQD-UHFFFAOYSA-N 1 1 284.201 3.840 20 30 CHEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486790156 1127003018 /nfs/dbraw/zinc/00/30/18/1127003018.db2.gz FEBHWKJKZGXMKU-QGZVFWFLSA-N 1 1 299.418 3.541 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268022546 1127009600 /nfs/dbraw/zinc/00/96/00/1127009600.db2.gz JNHKUMLBTUIJPY-HNNXBMFYSA-N 1 1 274.383 3.945 20 30 CHEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC001320039790 1127008657 /nfs/dbraw/zinc/00/86/57/1127008657.db2.gz QBMPELHNNUFVSF-WFASDCNBSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001320158801 1127020905 /nfs/dbraw/zinc/02/09/05/1127020905.db2.gz AAEKIIREKAFXAD-WCQYABFASA-N 1 1 283.774 3.817 20 30 CHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488119881 1127058495 /nfs/dbraw/zinc/05/84/95/1127058495.db2.gz 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ZINC000348864526 1127132635 /nfs/dbraw/zinc/13/26/35/1127132635.db2.gz BUYQFQPGAKTKME-UHFFFAOYSA-N 1 1 299.418 3.748 20 30 CHEDMO COc1cccc2c1C[N@@H+](CCCCC1(C#N)CCC1)CC2 ZINC001307773967 1127142536 /nfs/dbraw/zinc/14/25/36/1127142536.db2.gz UDWIEFKMUJXNHH-UHFFFAOYSA-N 1 1 298.430 3.917 20 30 CHEDMO Cc1c(F)c(F)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001237160784 1131061862 /nfs/dbraw/zinc/06/18/62/1131061862.db2.gz LJUNWOUYGMQADH-UHFFFAOYSA-N 1 1 278.346 3.932 20 30 CHEDMO Cc1c(F)c(F)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001237160784 1131061869 /nfs/dbraw/zinc/06/18/69/1131061869.db2.gz LJUNWOUYGMQADH-UHFFFAOYSA-N 1 1 278.346 3.932 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000350069962 1127171994 /nfs/dbraw/zinc/17/19/94/1127171994.db2.gz BKQSLPQBSYZKMJ-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351768591 1127208474 /nfs/dbraw/zinc/20/84/74/1127208474.db2.gz XUDNJDGVMKBEQZ-UHFFFAOYSA-N 1 1 260.337 3.525 20 30 CHEDMO CCCCOCC[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000056284574 1127208629 /nfs/dbraw/zinc/20/86/29/1127208629.db2.gz MKWHPSKQHHBFBB-UHFFFAOYSA-N 1 1 274.408 3.587 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588978207 1127209457 /nfs/dbraw/zinc/20/94/57/1127209457.db2.gz PQYKBJLWMGCGPW-GUYCJALGSA-N 1 1 254.377 3.741 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC3CCC2CC3)c1 ZINC001237751502 1131138338 /nfs/dbraw/zinc/13/83/38/1131138338.db2.gz LIAIPKPZSDCKBA-UHFFFAOYSA-N 1 1 260.768 3.586 20 30 CHEDMO C=C(C)CCc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000285105876 1127217652 /nfs/dbraw/zinc/21/76/52/1127217652.db2.gz LPCHTVPHODOYEE-XQQFMLRXSA-N 1 1 263.385 3.512 20 30 CHEDMO C=CC[N@H+](C1CCCCC1)C1CCN(CC2CC2)CC1 ZINC001168394513 1127236829 /nfs/dbraw/zinc/23/68/29/1127236829.db2.gz AJPKNHZCSDSVSZ-UHFFFAOYSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(CC2CC2)CC1 ZINC001168394513 1127236832 /nfs/dbraw/zinc/23/68/32/1127236832.db2.gz AJPKNHZCSDSVSZ-UHFFFAOYSA-N 1 1 276.468 3.682 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC[C@@]12CCN(C)C2=O ZINC001275118801 1127238431 /nfs/dbraw/zinc/23/84/31/1127238431.db2.gz KCXAXWLWDQCKPK-SFHVURJKSA-N 1 1 294.483 3.824 20 30 CHEDMO CC(C)O[C@H](C[N@H+](CCC#N)C(C)C)c1ccccc1 ZINC000589984893 1127243404 /nfs/dbraw/zinc/24/34/04/1127243404.db2.gz LCWAJEDGOZYYTH-QGZVFWFLSA-N 1 1 274.408 3.777 20 30 CHEDMO CC(C)O[C@H](C[N@@H+](CCC#N)C(C)C)c1ccccc1 ZINC000589984893 1127243408 /nfs/dbraw/zinc/24/34/08/1127243408.db2.gz LCWAJEDGOZYYTH-QGZVFWFLSA-N 1 1 274.408 3.777 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000285900147 1127246063 /nfs/dbraw/zinc/24/60/63/1127246063.db2.gz CRLLULBCJCSLPL-CQSZACIVSA-N 1 1 286.331 3.985 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)ccn1 ZINC000590123807 1127248771 /nfs/dbraw/zinc/24/87/71/1127248771.db2.gz VKVXXIMWRUUEPF-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000590156316 1127250057 /nfs/dbraw/zinc/25/00/57/1127250057.db2.gz DLPWVGRIRBGUMI-GDAAHCPNSA-N 1 1 298.430 3.778 20 30 CHEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000590156314 1127250115 /nfs/dbraw/zinc/25/01/15/1127250115.db2.gz DLPWVGRIRBGUMI-DSLXNQLJSA-N 1 1 298.430 3.778 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000353160947 1127263422 /nfs/dbraw/zinc/26/34/22/1127263422.db2.gz ABPGDBPKVKMMCN-UHFFFAOYSA-N 1 1 275.783 3.534 20 30 CHEDMO COc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)ccc1C#N ZINC000353223299 1127264906 /nfs/dbraw/zinc/26/49/06/1127264906.db2.gz SPVKZOGPNFXJHE-LRDDRELGSA-N 1 1 296.370 3.573 20 30 CHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC#N)c(OC)c1 ZINC000057621097 1127268262 /nfs/dbraw/zinc/26/82/62/1127268262.db2.gz FHDPTMUOKMPRQB-MRXNPFEDSA-N 1 1 288.391 3.535 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000286682815 1127272408 /nfs/dbraw/zinc/27/24/08/1127272408.db2.gz CJEARHSQABKMDZ-UHFFFAOYSA-N 1 1 263.331 3.548 20 30 CHEDMO COc1cccc2c1C[N@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000590760133 1127270662 /nfs/dbraw/zinc/27/06/62/1127270662.db2.gz WVAZCADQCFZEFU-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000590925876 1127278515 /nfs/dbraw/zinc/27/85/15/1127278515.db2.gz ZZPZPLHNPBRQTA-OAHLLOKOSA-N 1 1 254.377 3.923 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061827 1127285716 /nfs/dbraw/zinc/28/57/16/1127285716.db2.gz JZIUSMUNHVUBEH-GUYCJALGSA-N 1 1 254.377 3.741 20 30 CHEDMO C=CC[NH+]1CCN(Cc2cc(Cl)c(Cl)cc2C)CC1 ZINC001238260607 1131186910 /nfs/dbraw/zinc/18/69/10/1131186910.db2.gz STXCUUBMTKMKPM-UHFFFAOYSA-N 1 1 299.245 3.605 20 30 CHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000591377859 1127299959 /nfs/dbraw/zinc/29/99/59/1127299959.db2.gz NNNPYJLKKHWSLV-HZPDHXFCSA-N 1 1 271.408 3.600 20 30 CHEDMO CC[N@H+](Cc1cnccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000287388904 1127303210 /nfs/dbraw/zinc/30/32/10/1127303210.db2.gz REHBDCTUOISEAD-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO CC[N@@H+](Cc1cnccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000287388904 1127303213 /nfs/dbraw/zinc/30/32/13/1127303213.db2.gz REHBDCTUOISEAD-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000287570170 1127310132 /nfs/dbraw/zinc/31/01/32/1127310132.db2.gz QPANJUZDMWJWEY-LBPRGKRZSA-N 1 1 274.389 3.559 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287907853 1127315514 /nfs/dbraw/zinc/31/55/14/1127315514.db2.gz VFIAGCAFIHAQIK-UHFFFAOYSA-N 1 1 277.383 3.773 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000573576794 1127319812 /nfs/dbraw/zinc/31/98/12/1127319812.db2.gz QAGFYGBJLIXGAD-JKSUJKDBSA-N 1 1 271.408 3.600 20 30 CHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138091 1127320312 /nfs/dbraw/zinc/32/03/12/1127320312.db2.gz SBLHLKQFUMAROR-JKSUJKDBSA-N 1 1 290.407 3.567 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000355209038 1127325164 /nfs/dbraw/zinc/32/51/64/1127325164.db2.gz QCRWLZJANUKDFO-MSOLQXFVSA-N 1 1 262.356 3.546 20 30 CHEDMO CCCCCCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000157649114 1127331665 /nfs/dbraw/zinc/33/16/65/1127331665.db2.gz YMVCUFBCGZJCFS-UHFFFAOYSA-N 1 1 265.401 3.707 20 30 CHEDMO CCC1CCC([N@@H+](Cc2ccncc2C#N)C2CC2)CC1 ZINC000592061108 1127332541 /nfs/dbraw/zinc/33/25/41/1127332541.db2.gz WERPCKDRBVWZGN-UHFFFAOYSA-N 1 1 283.419 3.886 20 30 CHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592123075 1127335674 /nfs/dbraw/zinc/33/56/74/1127335674.db2.gz QJDWQLFREPTKAA-BEFAXECRSA-N 1 1 291.398 3.926 20 30 CHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592123075 1127335678 /nfs/dbraw/zinc/33/56/78/1127335678.db2.gz QJDWQLFREPTKAA-BEFAXECRSA-N 1 1 291.398 3.926 20 30 CHEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1 ZINC000592080587 1127335896 /nfs/dbraw/zinc/33/58/96/1127335896.db2.gz YPNVRVDFFDGESO-UHFFFAOYSA-N 1 1 285.778 3.632 20 30 CHEDMO C=CC[N@H+](CCc1c(C)noc1C)CC1CCCCC1 ZINC000165829900 1129218756 /nfs/dbraw/zinc/21/87/56/1129218756.db2.gz IIZQQLIKBZNYNH-UHFFFAOYSA-N 1 1 276.424 3.902 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cc2n(n1)CCCC2 ZINC000592387585 1127346088 /nfs/dbraw/zinc/34/60/88/1127346088.db2.gz ULKVQVOTONQDPJ-ZIAGYGMSSA-N 1 1 294.402 3.503 20 30 CHEDMO C=C(Br)C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000167348452 1127354898 /nfs/dbraw/zinc/35/48/98/1127354898.db2.gz RVHSNLAUWHTFBD-LBPRGKRZSA-N 1 1 290.151 3.914 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000355726384 1127360155 /nfs/dbraw/zinc/36/01/55/1127360155.db2.gz ARDHCJHQIPAVHC-HNNXBMFYSA-N 1 1 282.387 3.839 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCc2occc2C1 ZINC000288967838 1127369020 /nfs/dbraw/zinc/36/90/20/1127369020.db2.gz YNDTWZCEJOABQL-CYBMUJFWSA-N 1 1 266.344 3.661 20 30 CHEDMO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccncc1C#N ZINC000593045612 1127369074 /nfs/dbraw/zinc/36/90/74/1127369074.db2.gz JUUJQZKOEVATDE-CQSZACIVSA-N 1 1 297.427 3.566 20 30 CHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000593045612 1127369077 /nfs/dbraw/zinc/36/90/77/1127369077.db2.gz JUUJQZKOEVATDE-CQSZACIVSA-N 1 1 297.427 3.566 20 30 CHEDMO N#CCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593084300 1127373410 /nfs/dbraw/zinc/37/34/10/1127373410.db2.gz ROISSFUOGMBYII-HNNXBMFYSA-N 1 1 260.356 3.526 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)CCCC#N ZINC000593087448 1127373422 /nfs/dbraw/zinc/37/34/22/1127373422.db2.gz JZSSZARUXAXMQK-UHFFFAOYSA-N 1 1 256.349 3.785 20 30 CHEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000593115927 1127374223 /nfs/dbraw/zinc/37/42/23/1127374223.db2.gz GGBXXXNOZKGNAW-CQSZACIVSA-N 1 1 296.455 3.759 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H]1C1CC1 ZINC000356272553 1127379929 /nfs/dbraw/zinc/37/99/29/1127379929.db2.gz DHNPVBGWDGBFOP-GOSISDBHSA-N 1 1 298.430 3.990 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)C2CCC2)c1C ZINC000357018699 1127386840 /nfs/dbraw/zinc/38/68/40/1127386840.db2.gz AZDWODXNYFTJDD-CQSZACIVSA-N 1 1 288.435 3.594 20 30 CHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000058876416 1127396867 /nfs/dbraw/zinc/39/68/67/1127396867.db2.gz PZASYSBYRLCOEL-UHFFFAOYSA-N 1 1 294.398 3.849 20 30 CHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000594015057 1127405207 /nfs/dbraw/zinc/40/52/07/1127405207.db2.gz CRKNQDNBPXIATK-CQSZACIVSA-N 1 1 297.427 3.566 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000358299337 1127414204 /nfs/dbraw/zinc/41/42/04/1127414204.db2.gz MYIMWKJSXNVDNM-OAHLLOKOSA-N 1 1 260.381 3.503 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000358403711 1127419832 /nfs/dbraw/zinc/41/98/32/1127419832.db2.gz WRPIXZGCVCZKTB-CQSZACIVSA-N 1 1 267.376 3.575 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000358562618 1127427335 /nfs/dbraw/zinc/42/73/35/1127427335.db2.gz HPIIFADSZGJJPC-LLVKDONJSA-N 1 1 272.298 3.687 20 30 CHEDMO C=C1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000594733964 1127429760 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CCCC[N@@H+](C)CC1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595293944 1127457041 /nfs/dbraw/zinc/45/70/41/1127457041.db2.gz VGWRXIQPFFAQQA-LJQANCHMSA-N 1 1 299.462 3.695 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1 ZINC000595329679 1127458100 /nfs/dbraw/zinc/45/81/00/1127458100.db2.gz AJCJEUWPBZOIDO-IRXDYDNUSA-N 1 1 288.460 3.707 20 30 CHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000595342614 1127458582 /nfs/dbraw/zinc/45/85/82/1127458582.db2.gz NOMDOFMTPQJZPN-OAHLLOKOSA-N 1 1 294.398 3.889 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595312482 1127459543 /nfs/dbraw/zinc/45/95/43/1127459543.db2.gz NKTMKNAPORSMQC-HNNXBMFYSA-N 1 1 276.383 3.720 20 30 CHEDMO N#CCC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000595426056 1127462531 /nfs/dbraw/zinc/46/25/31/1127462531.db2.gz OOCGAWWXBOFOTE-UHFFFAOYSA-N 1 1 298.308 3.553 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503862 1127464740 /nfs/dbraw/zinc/46/47/40/1127464740.db2.gz 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1127615890 /nfs/dbraw/zinc/61/58/90/1127615890.db2.gz GRTWGVJIEGHBEP-UHFFFAOYSA-N 1 1 286.423 3.536 20 30 CHEDMO N#CCC1(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000602840236 1127617594 /nfs/dbraw/zinc/61/75/94/1127617594.db2.gz MJPGGFFAEXYUPH-INIZCTEOSA-N 1 1 294.402 3.784 20 30 CHEDMO N#CCC1(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000602840236 1127617596 /nfs/dbraw/zinc/61/75/96/1127617596.db2.gz MJPGGFFAEXYUPH-INIZCTEOSA-N 1 1 294.402 3.784 20 30 CHEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CCCc2ccccc21 ZINC000602756767 1127612966 /nfs/dbraw/zinc/61/29/66/1127612966.db2.gz PJSWEZYWZZYHOW-INIZCTEOSA-N 1 1 254.377 3.690 20 30 CHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)cc1 ZINC000602784528 1127613523 /nfs/dbraw/zinc/61/35/23/1127613523.db2.gz RYBXNROZJHHBSL-KRWDZBQOSA-N 1 1 298.430 3.644 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(CC#N)CC2)[C@H](c2ccco2)C1 ZINC000602783624 1127613699 /nfs/dbraw/zinc/61/36/99/1127613699.db2.gz PRLJXJJNIJNCMG-KBPBESRZSA-N 1 1 258.365 3.746 20 30 CHEDMO 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260.406 3.533 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980972 1127623352 /nfs/dbraw/zinc/62/33/52/1127623352.db2.gz YBOIAQVAQYLNKI-JSGCOSHPSA-N 1 1 260.406 3.533 20 30 CHEDMO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c2ccccc2n1 ZINC000602978654 1127623441 /nfs/dbraw/zinc/62/34/41/1127623441.db2.gz UHVVLRWEIZOXSW-KBXCAEBGSA-N 1 1 279.387 3.667 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c2ccccc2n1 ZINC000602978654 1127623444 /nfs/dbraw/zinc/62/34/44/1127623444.db2.gz UHVVLRWEIZOXSW-KBXCAEBGSA-N 1 1 279.387 3.667 20 30 CHEDMO CO[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000602981822 1127624159 /nfs/dbraw/zinc/62/41/59/1127624159.db2.gz KBPCOTVEGQNSGZ-VNQPRFMTSA-N 1 1 292.810 3.652 20 30 CHEDMO CO[C@H](C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000602981822 1127624161 /nfs/dbraw/zinc/62/41/61/1127624161.db2.gz KBPCOTVEGQNSGZ-VNQPRFMTSA-N 1 1 292.810 3.652 20 30 CHEDMO Cc1ccc2ncc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)cc2c1 ZINC000602982893 1127624201 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C[C@@H](C[N@@H+](C)CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000603053828 1127627751 /nfs/dbraw/zinc/62/77/51/1127627751.db2.gz FVQUMDWESPISLS-HNNXBMFYSA-N 1 1 280.456 3.701 20 30 CHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000598629167 1127630471 /nfs/dbraw/zinc/63/04/71/1127630471.db2.gz YKLQKBAKRRJDDY-IRXDYDNUSA-N 1 1 292.467 3.579 20 30 CHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000598629168 1127630481 /nfs/dbraw/zinc/63/04/81/1127630481.db2.gz YKLQKBAKRRJDDY-SJORKVTESA-N 1 1 292.467 3.579 20 30 CHEDMO C#CC[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000170648638 1127631923 /nfs/dbraw/zinc/63/19/23/1127631923.db2.gz SSODQMVSGBMZMT-UHFFFAOYSA-N 1 1 282.387 3.619 20 30 CHEDMO CC[C@]1(C)CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000362389574 1127632418 /nfs/dbraw/zinc/63/24/18/1127632418.db2.gz AMCRGYUTUCJFED-MRXNPFEDSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000362389574 1127632419 /nfs/dbraw/zinc/63/24/19/1127632419.db2.gz 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RTVNLSMKSICVJZ-KCQAQPDRSA-N 1 1 281.465 3.865 20 30 CHEDMO C=CCCc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935833027 1128504339 /nfs/dbraw/zinc/50/43/39/1128504339.db2.gz QBIFECOSZXQRTC-QGZVFWFLSA-N 1 1 286.419 3.617 20 30 CHEDMO C=CCCCCNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000567073996 1128557777 /nfs/dbraw/zinc/55/77/77/1128557777.db2.gz OLRWVCZPIJCPFP-MRXNPFEDSA-N 1 1 288.435 3.848 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000154455383 1128509993 /nfs/dbraw/zinc/50/99/93/1128509993.db2.gz VINRGKBYWBSABD-HNNXBMFYSA-N 1 1 280.371 3.609 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000566569461 1128547121 /nfs/dbraw/zinc/54/71/21/1128547121.db2.gz UHQYYCHMYCSVMC-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000566569461 1128547130 /nfs/dbraw/zinc/54/71/30/1128547130.db2.gz UHQYYCHMYCSVMC-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1C ZINC000566823018 1128552387 /nfs/dbraw/zinc/55/23/87/1128552387.db2.gz HAQSGXDRTCBKAW-HNNXBMFYSA-N 1 1 275.392 3.553 20 30 CHEDMO CC(C)[N@@H+](CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000566936784 1128554554 /nfs/dbraw/zinc/55/45/54/1128554554.db2.gz YSLAPHGPPQDTQG-CQSZACIVSA-N 1 1 262.372 3.771 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000568103761 1128577919 /nfs/dbraw/zinc/57/79/19/1128577919.db2.gz KCLNELFSGJTWTQ-JQYPEGPJSA-N 1 1 289.382 3.631 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000131310431 1128614282 /nfs/dbraw/zinc/61/42/82/1128614282.db2.gz QEOKLYDCWDBKQM-INIZCTEOSA-N 1 1 274.383 3.772 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000569184639 1128600699 /nfs/dbraw/zinc/60/06/99/1128600699.db2.gz NYXJHXQWVNXTMQ-UHFFFAOYSA-N 1 1 261.796 3.812 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](c2ccco2)C1 ZINC000570113977 1128616299 /nfs/dbraw/zinc/61/62/99/1128616299.db2.gz GPDNWHNVLMHGBW-BBRMVZONSA-N 1 1 281.359 3.519 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](c2ccco2)C1 ZINC000570113977 1128616301 /nfs/dbraw/zinc/61/63/01/1128616301.db2.gz GPDNWHNVLMHGBW-BBRMVZONSA-N 1 1 281.359 3.519 20 30 CHEDMO C=CCC[C@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000569754106 1128609154 /nfs/dbraw/zinc/60/91/54/1128609154.db2.gz FIDJKVBQYNALHV-SJORKVTESA-N 1 1 290.451 3.997 20 30 CHEDMO C#CC[N@H+](Cc1csc(-c2ccco2)n1)C1CCCC1 ZINC000155733520 1128613019 /nfs/dbraw/zinc/61/30/19/1128613019.db2.gz OOMCOAZBJKMDSI-UHFFFAOYSA-N 1 1 286.400 3.781 20 30 CHEDMO C#CC[N@@H+](Cc1csc(-c2ccco2)n1)C1CCCC1 ZINC000155733520 1128613020 /nfs/dbraw/zinc/61/30/20/1128613020.db2.gz OOMCOAZBJKMDSI-UHFFFAOYSA-N 1 1 286.400 3.781 20 30 CHEDMO C#CC[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000919723924 1128626575 /nfs/dbraw/zinc/62/65/75/1128626575.db2.gz PKMYHAIKMTUEIW-LLVKDONJSA-N 1 1 267.294 3.864 20 30 CHEDMO N#CC1CCC(C[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000930098881 1128631938 /nfs/dbraw/zinc/63/19/38/1128631938.db2.gz KEMRULJILSJIJV-UHFFFAOYSA-N 1 1 272.314 3.511 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000570981618 1128635219 /nfs/dbraw/zinc/63/52/19/1128635219.db2.gz SFACHZPVBDATCL-SPYBWZPUSA-N 1 1 291.398 3.720 20 30 CHEDMO C[N@@H+](CCCCCOc1ccccc1)CC(C)(C)C#N ZINC000556910282 1128641817 /nfs/dbraw/zinc/64/18/17/1128641817.db2.gz RKPUWIPWTYVPNJ-UHFFFAOYSA-N 1 1 274.408 3.717 20 30 CHEDMO C=CCCCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000572334539 1128644469 /nfs/dbraw/zinc/64/44/69/1128644469.db2.gz OTBUBYOTQATTCY-CVEARBPZSA-N 1 1 263.425 3.624 20 30 CHEDMO CC(C)[N@@H+](CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000572827576 1128648464 /nfs/dbraw/zinc/64/84/64/1128648464.db2.gz DDGCBVJWQRAXJP-GFCCVEGCSA-N 1 1 266.335 3.692 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)nsc1C ZINC000572464140 1128645701 /nfs/dbraw/zinc/64/57/01/1128645701.db2.gz AOOHHKNGVMBSSG-UHFFFAOYSA-N 1 1 286.444 3.991 20 30 CHEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000132611566 1128657160 /nfs/dbraw/zinc/65/71/60/1128657160.db2.gz OJYZXAJVTHOUMO-UHFFFAOYSA-N 1 1 289.354 3.582 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000930111980 1128658736 /nfs/dbraw/zinc/65/87/36/1128658736.db2.gz JXXMFVVHRLXQNZ-UHFFFAOYSA-N 1 1 297.789 3.771 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000930111980 1128658738 /nfs/dbraw/zinc/65/87/38/1128658738.db2.gz JXXMFVVHRLXQNZ-UHFFFAOYSA-N 1 1 297.789 3.771 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ncc(CC)o2)CCCC1(C)C ZINC000573907485 1128659708 /nfs/dbraw/zinc/65/97/08/1128659708.db2.gz LSNUAUIHDAFWFM-AWEZNQCLSA-N 1 1 262.397 3.804 20 30 CHEDMO N#CCC[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600758809 1128680009 /nfs/dbraw/zinc/68/00/09/1128680009.db2.gz WUXCDDJOEZUUIG-AWEZNQCLSA-N 1 1 273.767 3.702 20 30 CHEDMO CCCCCCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001258043581 1128685545 /nfs/dbraw/zinc/68/55/45/1128685545.db2.gz DRDZVIYOUMPRKB-ZNMIVQPWSA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@H](C)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001258049191 1128688712 /nfs/dbraw/zinc/68/87/12/1128688712.db2.gz BBQGDQWVHHLBMB-KRWDZBQOSA-N 1 1 298.515 3.514 20 30 CHEDMO C[C@@H]1CCC[N@@H+](CCNc2cccc(C(F)F)c2C#N)C1 ZINC000577803807 1128690264 /nfs/dbraw/zinc/69/02/64/1128690264.db2.gz FZLSCXVOURITLJ-GFCCVEGCSA-N 1 1 293.361 3.640 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@]12CCOC2 ZINC001258049797 1128689677 /nfs/dbraw/zinc/68/96/77/1128689677.db2.gz OUYZSUSMIUEZHH-HOTGVXAUSA-N 1 1 253.430 3.990 20 30 CHEDMO C=CCCCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000649255340 1128695932 /nfs/dbraw/zinc/69/59/32/1128695932.db2.gz RAJFIGYHFCQZNA-MRXNPFEDSA-N 1 1 263.381 3.617 20 30 CHEDMO CCCCCCC[C@H](C)[N@@H+]1CCN2CCC1CC2 ZINC001258049960 1128691114 /nfs/dbraw/zinc/69/11/14/1128691114.db2.gz QOCWSKWCOXPDRL-HNNXBMFYSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CCN2CCC1CC2 ZINC001258049960 1128691117 /nfs/dbraw/zinc/69/11/17/1128691117.db2.gz QOCWSKWCOXPDRL-HNNXBMFYSA-N 1 1 252.446 3.515 20 30 CHEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000601153095 1128700876 /nfs/dbraw/zinc/70/08/76/1128700876.db2.gz VQGUBZZSRHTSTP-UHFFFAOYSA-N 1 1 294.276 3.768 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(Cl)cc1C#N ZINC000609354340 1128711354 /nfs/dbraw/zinc/71/13/54/1128711354.db2.gz WNRDZEZJTUYKPQ-BETUJISGSA-N 1 1 291.826 3.886 20 30 CHEDMO C=CCC[C@@H](C)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000578939426 1128733751 /nfs/dbraw/zinc/73/37/51/1128733751.db2.gz ASVBQAJRLGDEAU-KGLIPLIRSA-N 1 1 285.391 3.666 20 30 CHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000610001856 1128734141 /nfs/dbraw/zinc/73/41/41/1128734141.db2.gz HHJRGMJALQSTGC-RHSMWYFYSA-N 1 1 256.393 3.959 20 30 CHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000610002033 1128734276 /nfs/dbraw/zinc/73/42/76/1128734276.db2.gz XKTMEUGFQOAONQ-CRAIPNDOSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000172176633 1117772920 /nfs/dbraw/zinc/77/29/20/1117772920.db2.gz LYAJTXOMVOCZDY-UHFFFAOYSA-N 1 1 255.308 3.686 20 30 CHEDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C#N)CCC#N ZINC000072589855 1117772985 /nfs/dbraw/zinc/77/29/85/1117772985.db2.gz GTARWICGYCIOPU-MRXNPFEDSA-N 1 1 283.419 3.859 20 30 CHEDMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C#N)CCC#N ZINC000072589855 1117772988 /nfs/dbraw/zinc/77/29/88/1117772988.db2.gz GTARWICGYCIOPU-MRXNPFEDSA-N 1 1 283.419 3.859 20 30 CHEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622842867 1117776577 /nfs/dbraw/zinc/77/65/77/1117776577.db2.gz XEHFEQGFCFBECS-IRXDYDNUSA-N 1 1 259.393 3.662 20 30 CHEDMO N#CCC[N@H+](CCc1ccccc1Cl)CC1CC1 ZINC000081044024 1117791149 /nfs/dbraw/zinc/79/11/49/1117791149.db2.gz VJIDFJXPZBTMSQ-UHFFFAOYSA-N 1 1 262.784 3.508 20 30 CHEDMO C[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(C#N)cc1 ZINC000131201828 1117831085 /nfs/dbraw/zinc/83/10/85/1117831085.db2.gz PXMXLZUVMPMNMH-UHFFFAOYSA-N 1 1 297.427 3.914 20 30 CHEDMO C[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(C#N)cc1 ZINC000131201828 1117831089 /nfs/dbraw/zinc/83/10/89/1117831089.db2.gz PXMXLZUVMPMNMH-UHFFFAOYSA-N 1 1 297.427 3.914 20 30 CHEDMO C[N@H+](Cc1cnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000131201602 1117831662 /nfs/dbraw/zinc/83/16/62/1117831662.db2.gz UNLFWLILAPHZLR-UHFFFAOYSA-N 1 1 283.400 3.524 20 30 CHEDMO C[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000131201602 1117831666 /nfs/dbraw/zinc/83/16/66/1117831666.db2.gz UNLFWLILAPHZLR-UHFFFAOYSA-N 1 1 283.400 3.524 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000610080101 1128737717 /nfs/dbraw/zinc/73/77/17/1128737717.db2.gz WIBWOJXROBNUNQ-UHFFFAOYSA-N 1 1 275.392 3.651 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000610080053 1128737970 /nfs/dbraw/zinc/73/79/70/1128737970.db2.gz JRTFQXYECMPRTP-UHFFFAOYSA-N 1 1 268.382 3.835 20 30 CHEDMO C=CCCCCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000610079902 1128738085 /nfs/dbraw/zinc/73/80/85/1128738085.db2.gz PEBXIGWJRITRRK-UHFFFAOYSA-N 1 1 272.392 3.615 20 30 CHEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000579172858 1128740245 /nfs/dbraw/zinc/74/02/45/1128740245.db2.gz UPLQORIBBZWDGD-WDEREUQCSA-N 1 1 282.309 3.807 20 30 CHEDMO Cc1cnc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000336379011 1117892865 /nfs/dbraw/zinc/89/28/65/1117892865.db2.gz DCSSXAJEKXQSOX-CQSZACIVSA-N 1 1 293.370 3.705 20 30 CHEDMO Cc1cnc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000336379011 1117892869 /nfs/dbraw/zinc/89/28/69/1117892869.db2.gz DCSSXAJEKXQSOX-CQSZACIVSA-N 1 1 293.370 3.705 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)ccc1C#N ZINC000579380504 1128746344 /nfs/dbraw/zinc/74/63/44/1128746344.db2.gz QNCBUCKPJDUCFF-KRWDZBQOSA-N 1 1 294.373 3.995 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccn1 ZINC000932448721 1117999474 /nfs/dbraw/zinc/99/94/74/1117999474.db2.gz DSLGJWBHIHXCLI-UHFFFAOYSA-N 1 1 293.414 3.806 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000615444902 1128748945 /nfs/dbraw/zinc/74/89/45/1128748945.db2.gz LGOPVJZQAIVOLO-GXFFZTMASA-N 1 1 268.282 3.503 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209160695 1118007310 /nfs/dbraw/zinc/00/73/10/1118007310.db2.gz AQHYMQQFPPXQON-RBUKOAKNSA-N 1 1 285.431 3.991 20 30 CHEDMO C=CCCC[N@@H+]1CCSC[C@@H]1c1cccc(OC)c1 ZINC001209163318 1118007366 /nfs/dbraw/zinc/00/73/66/1118007366.db2.gz CCSNHXLJJUSNJM-MRXNPFEDSA-N 1 1 277.433 3.751 20 30 CHEDMO C=CCCCCCCC[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001209442194 1118061711 /nfs/dbraw/zinc/06/17/11/1118061711.db2.gz VOMHFYFVUOIYNU-JKSUJKDBSA-N 1 1 252.446 3.537 20 30 CHEDMO C[C@@H](CCc1cccc(F)c1)[N@H+](CC#N)C1CCCC1 ZINC000183344109 1118043121 /nfs/dbraw/zinc/04/31/21/1118043121.db2.gz CZXDJZZCWXMMGH-AWEZNQCLSA-N 1 1 274.383 3.915 20 30 CHEDMO C[C@@H](CCc1cccc(F)c1)[N@@H+](CC#N)C1CCCC1 ZINC000183344109 1118043126 /nfs/dbraw/zinc/04/31/26/1118043126.db2.gz CZXDJZZCWXMMGH-AWEZNQCLSA-N 1 1 274.383 3.915 20 30 CHEDMO CCCCCOc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC ZINC000183819985 1118049471 /nfs/dbraw/zinc/04/94/71/1118049471.db2.gz MFOXIQMVESAOQR-AWEZNQCLSA-N 1 1 290.407 3.513 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001209430787 1118052451 /nfs/dbraw/zinc/05/24/51/1118052451.db2.gz CUAWUAAUXRCCSJ-HNNXBMFYSA-N 1 1 277.412 3.694 20 30 CHEDMO C=CCCCCCC[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001209431352 1118053111 /nfs/dbraw/zinc/05/31/11/1118053111.db2.gz LPPBUFYKHMHPDN-JKSUJKDBSA-N 1 1 253.430 3.606 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](OC)C1CCC1 ZINC001167137818 1118053690 /nfs/dbraw/zinc/05/36/90/1118053690.db2.gz HRKMAVZUBUYMST-QGZVFWFLSA-N 1 1 277.383 3.629 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001209431361 1118053724 /nfs/dbraw/zinc/05/37/24/1118053724.db2.gz LZPAQDXIZNBDGN-AWEZNQCLSA-N 1 1 293.373 3.902 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209436383 1118055859 /nfs/dbraw/zinc/05/58/59/1118055859.db2.gz PPDOWINAIWSHMN-KRWDZBQOSA-N 1 1 274.408 3.591 20 30 CHEDMO C=CCCCCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209436383 1118055864 /nfs/dbraw/zinc/05/58/64/1118055864.db2.gz PPDOWINAIWSHMN-KRWDZBQOSA-N 1 1 274.408 3.591 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799193400 1128752923 /nfs/dbraw/zinc/75/29/23/1128752923.db2.gz JPHWOQGKZLPDGC-INIZCTEOSA-N 1 1 296.801 3.576 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001209441835 1118060844 /nfs/dbraw/zinc/06/08/44/1118060844.db2.gz KSQOEYZGUVXHMK-GOSISDBHSA-N 1 1 288.435 3.982 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001209441835 1118060850 /nfs/dbraw/zinc/06/08/50/1118060850.db2.gz KSQOEYZGUVXHMK-GOSISDBHSA-N 1 1 288.435 3.982 20 30 CHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC(C)(C)C)c1C#N ZINC000091068356 1118063186 /nfs/dbraw/zinc/06/31/86/1118063186.db2.gz VKFNVIDVHYXOJZ-UHFFFAOYSA-N 1 1 296.418 3.530 20 30 CHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC(C)(C)C)c1C#N ZINC000091068356 1118063190 /nfs/dbraw/zinc/06/31/90/1118063190.db2.gz VKFNVIDVHYXOJZ-UHFFFAOYSA-N 1 1 296.418 3.530 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001204443491 1118063782 /nfs/dbraw/zinc/06/37/82/1118063782.db2.gz YFJUBSILRJVUNA-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001204443491 1118063787 /nfs/dbraw/zinc/06/37/87/1118063787.db2.gz YFJUBSILRJVUNA-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCC2(COC2)O1 ZINC001167147574 1118070390 /nfs/dbraw/zinc/07/03/90/1118070390.db2.gz XOXJEZISOCLHNL-MRXNPFEDSA-N 1 1 283.456 3.617 20 30 CHEDMO CSc1cc(C)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001238685804 1118072095 /nfs/dbraw/zinc/07/20/95/1118072095.db2.gz QTVLUHRACOXUOI-CQSZACIVSA-N 1 1 274.433 3.843 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2cc[nH]c2c1 ZINC001209512740 1118073007 /nfs/dbraw/zinc/07/30/07/1118073007.db2.gz ORRGPWDCSSZBHV-UHFFFAOYSA-N 1 1 255.365 3.684 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2cc[nH]c2c1 ZINC001209512740 1118073013 /nfs/dbraw/zinc/07/30/13/1118073013.db2.gz ORRGPWDCSSZBHV-UHFFFAOYSA-N 1 1 255.365 3.684 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238786131 1118083584 /nfs/dbraw/zinc/08/35/84/1118083584.db2.gz YBZWMAHMGSDKSD-GFCCVEGCSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238786131 1118083588 /nfs/dbraw/zinc/08/35/88/1118083588.db2.gz YBZWMAHMGSDKSD-GFCCVEGCSA-N 1 1 280.774 3.913 20 30 CHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC001203390383 1118091190 /nfs/dbraw/zinc/09/11/90/1118091190.db2.gz WUVSTOQEPZPSET-UHFFFAOYSA-N 1 1 297.398 3.879 20 30 CHEDMO C=CC[N@H+](CCOc1ccc(Cl)c(F)c1)C(C)C ZINC001167227325 1118107693 /nfs/dbraw/zinc/10/76/93/1118107693.db2.gz LGTZXJQCEABHFE-UHFFFAOYSA-N 1 1 271.763 3.754 20 30 CHEDMO CO[C@H](CC(C)C)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001167248061 1118118596 /nfs/dbraw/zinc/11/85/96/1118118596.db2.gz IPEUANYGORDIOM-GOSISDBHSA-N 1 1 288.435 3.830 20 30 CHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000348631712 1118129240 /nfs/dbraw/zinc/12/92/40/1118129240.db2.gz FTCWENHLTYABTI-DNVCBOLYSA-N 1 1 293.414 3.870 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000765002716 1118130226 /nfs/dbraw/zinc/13/02/26/1118130226.db2.gz WBHFEZWXKPQZJD-KRWDZBQOSA-N 1 1 260.425 3.916 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)c(OC)c1 ZINC001167273937 1118138018 /nfs/dbraw/zinc/13/80/18/1118138018.db2.gz VMENRPUOAMZSOP-UHFFFAOYSA-N 1 1 297.373 3.778 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)c(OC)c1 ZINC001167273937 1118138020 /nfs/dbraw/zinc/13/80/20/1118138020.db2.gz VMENRPUOAMZSOP-UHFFFAOYSA-N 1 1 297.373 3.778 20 30 CHEDMO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cc1F ZINC001140140336 1118140863 /nfs/dbraw/zinc/14/08/63/1118140863.db2.gz RMMGVQJIDIWYCH-VMPITWQZSA-N 1 1 280.346 3.843 20 30 CHEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cc1F ZINC001140140336 1118140867 /nfs/dbraw/zinc/14/08/67/1118140867.db2.gz RMMGVQJIDIWYCH-VMPITWQZSA-N 1 1 280.346 3.843 20 30 CHEDMO Clc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)c(Cl)c1 ZINC000765561695 1118169183 /nfs/dbraw/zinc/16/91/83/1118169183.db2.gz BWYPFIOXDGJFIM-ZDUSSCGKSA-N 1 1 284.190 3.629 20 30 CHEDMO C[C@@H](CC[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000618606456 1118174613 /nfs/dbraw/zinc/17/46/13/1118174613.db2.gz GPJWZRYMOYEKHP-RDJZCZTQSA-N 1 1 256.393 3.806 20 30 CHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921549447 1118190683 /nfs/dbraw/zinc/19/06/83/1118190683.db2.gz PTISXNDVMZCWSE-SNVBAGLBSA-N 1 1 290.363 3.618 20 30 CHEDMO C=CCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000338543695 1118214529 /nfs/dbraw/zinc/21/45/29/1118214529.db2.gz RGJVEXPBIKUNDG-UHFFFAOYSA-N 1 1 289.810 3.652 20 30 CHEDMO C=C(C)CC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC001168571574 1118228293 /nfs/dbraw/zinc/22/82/93/1118228293.db2.gz XRGPKSAPFVJLRE-UHFFFAOYSA-N 1 1 298.199 3.913 20 30 CHEDMO C=C(C)CC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC001168571574 1118228298 /nfs/dbraw/zinc/22/82/98/1118228298.db2.gz XRGPKSAPFVJLRE-UHFFFAOYSA-N 1 1 298.199 3.913 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(Br)c1 ZINC000049800837 1118228915 /nfs/dbraw/zinc/22/89/15/1118228915.db2.gz GVZQBMKPMNSVEG-UHFFFAOYSA-N 1 1 295.224 3.821 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(Br)c1 ZINC000049800837 1118228917 /nfs/dbraw/zinc/22/89/17/1118228917.db2.gz GVZQBMKPMNSVEG-UHFFFAOYSA-N 1 1 295.224 3.821 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(C)c1F ZINC001143379342 1118229669 /nfs/dbraw/zinc/22/96/69/1118229669.db2.gz SHTLKZUGIWBQJD-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccccc1C#N)C(C)C ZINC000172349975 1118243259 /nfs/dbraw/zinc/24/32/59/1118243259.db2.gz DMNXPYLDGZXVHG-KRWDZBQOSA-N 1 1 279.387 3.749 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000088363155 1118273230 /nfs/dbraw/zinc/27/32/30/1118273230.db2.gz RFGFGSFJANWYEN-INIZCTEOSA-N 1 1 254.462 3.798 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CC2CCCCC2)cc1 ZINC000179936566 1128767122 /nfs/dbraw/zinc/76/71/22/1128767122.db2.gz RSRWYHFMAVZNSW-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO CCCCC(N)=[NH+]OCc1nc(-c2cccs2)oc1C ZINC000121094984 1118304639 /nfs/dbraw/zinc/30/46/39/1118304639.db2.gz KLRUKEIRUZRITM-UHFFFAOYSA-N 1 1 293.392 3.691 20 30 CHEDMO CC(C)c1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000610345116 1118336861 /nfs/dbraw/zinc/33/68/61/1118336861.db2.gz SCYHGBFPJPAJPI-GFCCVEGCSA-N 1 1 285.416 3.989 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187332253 1118351532 /nfs/dbraw/zinc/35/15/32/1118351532.db2.gz OJRVUXTYQCABAK-OAHLLOKOSA-N 1 1 286.419 3.636 20 30 CHEDMO Cc1ccnc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000616757988 1118404189 /nfs/dbraw/zinc/40/41/89/1118404189.db2.gz UTJXJJGEKVDFMJ-RBUKOAKNSA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1ccnc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000616757988 1118404191 /nfs/dbraw/zinc/40/41/91/1118404191.db2.gz UTJXJJGEKVDFMJ-RBUKOAKNSA-N 1 1 291.398 3.662 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000556812018 1118418151 /nfs/dbraw/zinc/41/81/51/1118418151.db2.gz AFMCEAZETBABPD-UHFFFAOYSA-N 1 1 272.392 3.524 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000556812018 1118418152 /nfs/dbraw/zinc/41/81/52/1118418152.db2.gz AFMCEAZETBABPD-UHFFFAOYSA-N 1 1 272.392 3.524 20 30 CHEDMO N#CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000057606961 1118494696 /nfs/dbraw/zinc/49/46/96/1118494696.db2.gz DHLOXSWOUXZNIK-UHFFFAOYSA-N 1 1 293.208 3.542 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000306407846 1118545169 /nfs/dbraw/zinc/54/51/69/1118545169.db2.gz XZJGBASCBQRKBG-QMMMGPOBSA-N 1 1 292.629 3.840 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000340907858 1118552047 /nfs/dbraw/zinc/55/20/47/1118552047.db2.gz QNPSVDZTTFSGAL-CVEARBPZSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000656472605 1118561706 /nfs/dbraw/zinc/56/17/06/1118561706.db2.gz LLOLAVFVKBNLTJ-UHFFFAOYSA-N 1 1 296.374 3.677 20 30 CHEDMO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000754658418 1118569685 /nfs/dbraw/zinc/56/96/85/1118569685.db2.gz UTNWFJWUBFWUHK-GFCCVEGCSA-N 1 1 268.360 3.950 20 30 CHEDMO N#Cc1csc(C[NH2+]Cc2ccc3sccc3c2)n1 ZINC000352455582 1118575416 /nfs/dbraw/zinc/57/54/16/1118575416.db2.gz ZOSBVPIKTLYONS-UHFFFAOYSA-N 1 1 285.397 3.519 20 30 CHEDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000933254772 1118578931 /nfs/dbraw/zinc/57/89/31/1118578931.db2.gz VUEBXIUDLKAUHF-QGZVFWFLSA-N 1 1 291.483 3.513 20 30 CHEDMO CC(C)C[C@@H]1C[N@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000933254772 1118578934 /nfs/dbraw/zinc/57/89/34/1118578934.db2.gz VUEBXIUDLKAUHF-QGZVFWFLSA-N 1 1 291.483 3.513 20 30 CHEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000933254772 1118578937 /nfs/dbraw/zinc/57/89/37/1118578937.db2.gz VUEBXIUDLKAUHF-QGZVFWFLSA-N 1 1 291.483 3.513 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610504909 1118585712 /nfs/dbraw/zinc/58/57/12/1118585712.db2.gz HWLUMBRPPGQPBB-KRWDZBQOSA-N 1 1 266.319 3.644 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610504909 1118585715 /nfs/dbraw/zinc/58/57/15/1118585715.db2.gz HWLUMBRPPGQPBB-KRWDZBQOSA-N 1 1 266.319 3.644 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001167461734 1118593514 /nfs/dbraw/zinc/59/35/14/1118593514.db2.gz QHDNBJFWJOJHGI-JYJNAYRXSA-N 1 1 251.414 3.622 20 30 CHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccccc2C#N)C1 ZINC000335669987 1118633566 /nfs/dbraw/zinc/63/35/66/1118633566.db2.gz MCNVBGVPXIAHAY-KSSFIOAISA-N 1 1 277.371 3.536 20 30 CHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccccc2C#N)C1 ZINC000335669987 1118633567 /nfs/dbraw/zinc/63/35/67/1118633567.db2.gz MCNVBGVPXIAHAY-KSSFIOAISA-N 1 1 277.371 3.536 20 30 CHEDMO C=CCOc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000656686035 1118636269 /nfs/dbraw/zinc/63/62/69/1118636269.db2.gz SZFSLKBBIGRMTE-UHFFFAOYSA-N 1 1 285.309 3.636 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)C(C)C)c(O)c(OC)c1 ZINC000754726585 1118646539 /nfs/dbraw/zinc/64/65/39/1118646539.db2.gz RKRKUXDUWPPXKP-CYBMUJFWSA-N 1 1 277.408 3.606 20 30 CHEDMO C=CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1cccs1 ZINC000891510741 1118699086 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ZINC000310716042 1119873249 /nfs/dbraw/zinc/87/32/49/1119873249.db2.gz NSJJHEWBPBZKOT-UHFFFAOYSA-N 1 1 262.422 3.522 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000120117523 1119934396 /nfs/dbraw/zinc/93/43/96/1119934396.db2.gz WLTRDERUPBTNLZ-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000180222438 1119956911 /nfs/dbraw/zinc/95/69/11/1119956911.db2.gz UASXJRFDGXDFIG-WBMJQRKESA-N 1 1 268.385 3.813 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000180222438 1119956914 /nfs/dbraw/zinc/95/69/14/1119956914.db2.gz UASXJRFDGXDFIG-WBMJQRKESA-N 1 1 268.385 3.813 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472567447 1119958559 /nfs/dbraw/zinc/95/85/59/1119958559.db2.gz SXPAHDULABCIFS-COXVUDFISA-N 1 1 277.383 3.536 20 30 CHEDMO N#Cc1cccc(C[N@@H+](CC2CC2)C2CC2)c1Cl ZINC001140814577 1119958734 /nfs/dbraw/zinc/95/87/34/1119958734.db2.gz NKAPCMRBPNXLPZ-UHFFFAOYSA-N 1 1 260.768 3.586 20 30 CHEDMO N#Cc1cc(-c2ccccc2)oc1Nc1ccc[nH+]c1N ZINC001212393515 1120036699 /nfs/dbraw/zinc/03/66/99/1120036699.db2.gz GRTRLSXOPDIIFN-UHFFFAOYSA-N 1 1 276.299 3.539 20 30 CHEDMO Cc1cc2cc[nH+]c(N[C@@H](C)c3cccc(C#N)c3)c2[nH]1 ZINC001167708331 1120048391 /nfs/dbraw/zinc/04/83/91/1120048391.db2.gz DIZRBLNXZXWAQK-LBPRGKRZSA-N 1 1 276.343 3.916 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc2cc(Cl)cnc2o1 ZINC000648347810 1120076831 /nfs/dbraw/zinc/07/68/31/1120076831.db2.gz ZRDAZPRLPWLSGP-UHFFFAOYSA-N 1 1 264.756 3.879 20 30 CHEDMO C=CC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 ZINC000542691671 1120119902 /nfs/dbraw/zinc/11/99/02/1120119902.db2.gz ZBZIEJGRZBHKPA-UHFFFAOYSA-N 1 1 295.810 3.898 20 30 CHEDMO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000309711681 1120145670 /nfs/dbraw/zinc/14/56/70/1120145670.db2.gz JOUBCABGEWKIKP-PKOBYXMFSA-N 1 1 286.463 3.843 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000472744481 1120158351 /nfs/dbraw/zinc/15/83/51/1120158351.db2.gz CATLAAMKRHXEFC-LBPRGKRZSA-N 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CZECBRNLLSOPQH-LBPRGKRZSA-N 1 1 294.851 3.787 20 30 CHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000076737157 1120294098 /nfs/dbraw/zinc/29/40/98/1120294098.db2.gz HEYDOMYJZIYLGZ-UHFFFAOYSA-N 1 1 298.789 3.706 20 30 CHEDMO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cnc1F ZINC000893194040 1120294938 /nfs/dbraw/zinc/29/49/38/1120294938.db2.gz CGRPXNGJNSQLIB-MRXNPFEDSA-N 1 1 283.350 3.664 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2cccc(F)c2)ccc1C#N ZINC001238766572 1131243605 /nfs/dbraw/zinc/24/36/05/1131243605.db2.gz PUVSNOZRIJXVPR-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1C#N ZINC001238768843 1131243723 /nfs/dbraw/zinc/24/37/23/1131243723.db2.gz NBCCTLVJMVTLQP-UHFFFAOYSA-N 1 1 289.382 3.624 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@H]21 ZINC000499625362 1120366419 /nfs/dbraw/zinc/36/64/19/1120366419.db2.gz KXLHLPIZDDGEKX-IXDOHACOSA-N 1 1 290.451 3.597 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC(C)(C)CCO)cc1 ZINC001167740232 1120388790 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COc1cc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)ccc1C#N ZINC000378818746 1120529970 /nfs/dbraw/zinc/52/99/70/1120529970.db2.gz DDNHWDYAWHWROH-JKSUJKDBSA-N 1 1 284.403 3.577 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000092401729 1120542023 /nfs/dbraw/zinc/54/20/23/1120542023.db2.gz HZMHXXUYMUSWRJ-HNNXBMFYSA-N 1 1 260.406 3.774 20 30 CHEDMO C[N@@H+](CCC1CCCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000092784467 1120546713 /nfs/dbraw/zinc/54/67/13/1120546713.db2.gz OWILIOYBWVZWNB-UHFFFAOYSA-N 1 1 296.418 3.608 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000093383645 1120559520 /nfs/dbraw/zinc/55/95/20/1120559520.db2.gz NQJUMCPYCYYTJN-ZLDLUXBVSA-N 1 1 260.406 3.773 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093361636 1120559697 /nfs/dbraw/zinc/55/96/97/1120559697.db2.gz VVPLFIRTHAZKES-KRWDZBQOSA-N 1 1 268.360 3.980 20 30 CHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000093512838 1120561908 /nfs/dbraw/zinc/56/19/08/1120561908.db2.gz MLQCDRCYGXIZQI-SFHVURJKSA-N 1 1 295.386 3.554 20 30 CHEDMO C=C(C)CC[N@@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000508967137 1120563418 /nfs/dbraw/zinc/56/34/18/1120563418.db2.gz LOYLNZBDNBODJV-OAHLLOKOSA-N 1 1 275.392 3.579 20 30 CHEDMO C=C(C)CC[N@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000508967137 1120563420 /nfs/dbraw/zinc/56/34/20/1120563420.db2.gz LOYLNZBDNBODJV-OAHLLOKOSA-N 1 1 275.392 3.579 20 30 CHEDMO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000182045692 1128926033 /nfs/dbraw/zinc/92/60/33/1128926033.db2.gz RKUVWSGFKMCAHW-FUHWJXTLSA-N 1 1 299.462 3.577 20 30 CHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000182045692 1128926036 /nfs/dbraw/zinc/92/60/36/1128926036.db2.gz RKUVWSGFKMCAHW-FUHWJXTLSA-N 1 1 299.462 3.577 20 30 CHEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)[C@@H]([C@@H](C)CC)C1 ZINC000509034018 1120604583 /nfs/dbraw/zinc/60/45/83/1120604583.db2.gz SHHGZGUGCSLZRY-ZWKOTPCHSA-N 1 1 278.484 3.951 20 30 CHEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)C[C@@H]1[C@@H](C)CC 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C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CC=CC1 ZINC000660541389 1120654359 /nfs/dbraw/zinc/65/43/59/1120654359.db2.gz WOTVDMCDPFFKLD-UHFFFAOYSA-N 1 1 273.424 3.808 20 30 CHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000131307504 1120654544 /nfs/dbraw/zinc/65/45/44/1120654544.db2.gz DEBQTQWIYQKGQV-GUYCJALGSA-N 1 1 282.412 3.998 20 30 CHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)cc2F)c1 ZINC000301280071 1120704258 /nfs/dbraw/zinc/70/42/58/1120704258.db2.gz ZYCZIFIONURRJW-UHFFFAOYSA-N 1 1 297.377 3.761 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c(C)o1 ZINC000044730552 1120731603 /nfs/dbraw/zinc/73/16/03/1120731603.db2.gz VACZKYBYHAIMRC-NSHDSACASA-N 1 1 272.323 3.758 20 30 CHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CCc2ccccc21 ZINC000593680262 1120741384 /nfs/dbraw/zinc/74/13/84/1120741384.db2.gz WNPHIIHXGUKHCO-HNNXBMFYSA-N 1 1 270.420 3.978 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000661380759 1120758265 /nfs/dbraw/zinc/75/82/65/1120758265.db2.gz OZZUAJZDKRRXBC-HNNXBMFYSA-N 1 1 297.402 3.833 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000661380759 1120758269 /nfs/dbraw/zinc/75/82/69/1120758269.db2.gz OZZUAJZDKRRXBC-HNNXBMFYSA-N 1 1 297.402 3.833 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000661382733 1120759521 /nfs/dbraw/zinc/75/95/21/1120759521.db2.gz WRQGGWTXEGFJMN-ZDUSSCGKSA-N 1 1 275.396 3.515 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000661382733 1120759524 /nfs/dbraw/zinc/75/95/24/1120759524.db2.gz WRQGGWTXEGFJMN-ZDUSSCGKSA-N 1 1 275.396 3.515 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000661380282 1120759874 /nfs/dbraw/zinc/75/98/74/1120759874.db2.gz MCKZRHZLLVBJFK-OAHLLOKOSA-N 1 1 297.402 3.567 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000661386861 1120761305 /nfs/dbraw/zinc/76/13/05/1120761305.db2.gz VLJHMDHBYSXAIH-OAHLLOKOSA-N 1 1 257.377 3.677 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000661384501 1120761342 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WWWKVPVOUOWAPU-QGZVFWFLSA-N 1 1 273.424 3.829 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001176486767 1121637227 /nfs/dbraw/zinc/63/72/27/1121637227.db2.gz WWWKVPVOUOWAPU-QGZVFWFLSA-N 1 1 273.424 3.829 20 30 CHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H](C)C(C)C)c1C#N ZINC000611346330 1121638760 /nfs/dbraw/zinc/63/87/60/1121638760.db2.gz YLQVUOLUHJZVOY-OAHLLOKOSA-N 1 1 296.418 3.529 20 30 CHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H](C)C(C)C)c1C#N ZINC000611346330 1121638763 /nfs/dbraw/zinc/63/87/63/1121638763.db2.gz YLQVUOLUHJZVOY-OAHLLOKOSA-N 1 1 296.418 3.529 20 30 CHEDMO C[N@H+](CC(C)(C)C#N)[C@H]1CCCc2ccc(F)cc21 ZINC000433291596 1121639416 /nfs/dbraw/zinc/63/94/16/1121639416.db2.gz WPBVGUNEWNUXQE-HNNXBMFYSA-N 1 1 260.356 3.685 20 30 CHEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCc2ccc(F)cc21 ZINC000433291596 1121639419 /nfs/dbraw/zinc/63/94/19/1121639419.db2.gz WPBVGUNEWNUXQE-HNNXBMFYSA-N 1 1 260.356 3.685 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000611371702 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C=CCCC[N@H+](CC)C[C@@H](O)c1ccc(F)cc1Cl ZINC001176798096 1121692483 /nfs/dbraw/zinc/69/24/83/1121692483.db2.gz KQWJPRHCSJCLHX-OAHLLOKOSA-N 1 1 285.790 3.801 20 30 CHEDMO CCc1ccc2c(c1)CC[N@H+](CC1CCC(C#N)CC1)C2 ZINC001177008992 1121705022 /nfs/dbraw/zinc/70/50/22/1121705022.db2.gz UVYSBBYCAQBOON-UHFFFAOYSA-N 1 1 282.431 3.937 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000614402349 1121710161 /nfs/dbraw/zinc/71/01/61/1121710161.db2.gz ADUAYMBFZDFXKF-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000614402898 1121711246 /nfs/dbraw/zinc/71/12/46/1121711246.db2.gz OTEYVQVOQSQIHO-QGZVFWFLSA-N 1 1 265.360 3.532 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000614403088 1121711514 /nfs/dbraw/zinc/71/15/14/1121711514.db2.gz BIPPBQMVKBFXDG-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000614403088 1121711520 /nfs/dbraw/zinc/71/15/20/1121711520.db2.gz BIPPBQMVKBFXDG-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000614405960 1121712047 /nfs/dbraw/zinc/71/20/47/1121712047.db2.gz KPNRUCKZSXJSPZ-HNNXBMFYSA-N 1 1 254.377 3.655 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000729267555 1121770229 /nfs/dbraw/zinc/77/02/29/1121770229.db2.gz XJYILHUJBVPAPK-ZDUSSCGKSA-N 1 1 298.411 3.770 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000542975774 1121771974 /nfs/dbraw/zinc/77/19/74/1121771974.db2.gz RFPKXEIJHXSYBC-PVUWLOKVSA-N 1 1 272.367 3.708 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062733 1121791235 /nfs/dbraw/zinc/79/12/35/1121791235.db2.gz QQZWPCNSLMRDKT-HNNXBMFYSA-N 1 1 294.236 3.850 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000467287211 1121818073 /nfs/dbraw/zinc/81/80/73/1121818073.db2.gz FUEPUXCXGIBDEC-ZDUSSCGKSA-N 1 1 294.826 3.792 20 30 CHEDMO N#CCC1(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000430021427 1121825439 /nfs/dbraw/zinc/82/54/39/1121825439.db2.gz MFGJDMSUILKSNR-UHFFFAOYSA-N 1 1 269.175 3.777 20 30 CHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212885 1121854987 /nfs/dbraw/zinc/85/49/87/1121854987.db2.gz VMHAYVKXAUAYKT-MRXNPFEDSA-N 1 1 272.392 3.599 20 30 CHEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000280291449 1121884471 /nfs/dbraw/zinc/88/44/71/1121884471.db2.gz FDSLCAXDBQSKNC-KRWDZBQOSA-N 1 1 291.822 3.583 20 30 CHEDMO CCC[N@H+](Cc1csc(CC)n1)Cc1ccc(C#N)cc1 ZINC000047740704 1121896154 /nfs/dbraw/zinc/89/61/54/1121896154.db2.gz XCAPAYCMJLGCCK-UHFFFAOYSA-N 1 1 299.443 3.989 20 30 CHEDMO CCC[N@@H+](Cc1csc(CC)n1)Cc1ccc(C#N)cc1 ZINC000047740704 1121896160 /nfs/dbraw/zinc/89/61/60/1121896160.db2.gz XCAPAYCMJLGCCK-UHFFFAOYSA-N 1 1 299.443 3.989 20 30 CHEDMO C=CC[N@H+](CC[C@H]1CCCO1)Cc1ccc(Cl)s1 ZINC000345780480 1121914631 /nfs/dbraw/zinc/91/46/31/1121914631.db2.gz IHLJMYKIXUVMMW-GFCCVEGCSA-N 1 1 285.840 3.959 20 30 CHEDMO C#CC[N@H+](Cc1nc2c(s1)CCCC2)C1CCCCC1 ZINC001180031111 1121938634 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ZINC001180239440 1121967560 /nfs/dbraw/zinc/96/75/60/1121967560.db2.gz KQKBBFIJRXKKGO-LLVKDONJSA-N 1 1 250.773 3.630 20 30 CHEDMO CC[N@H+](Cc1cccc(Cl)c1C)C[C@H](C)C#N ZINC001180239440 1121967564 /nfs/dbraw/zinc/96/75/64/1121967564.db2.gz KQKBBFIJRXKKGO-LLVKDONJSA-N 1 1 250.773 3.630 20 30 CHEDMO Cc1cc(C[NH2+]CC(C)(C)C#N)ccc1C(F)(F)F ZINC000414431058 1121970067 /nfs/dbraw/zinc/97/00/67/1121970067.db2.gz KPAHYSXWNKRYMV-UHFFFAOYSA-N 1 1 270.298 3.653 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC001180317845 1121973569 /nfs/dbraw/zinc/97/35/69/1121973569.db2.gz PGDWLLABRMCVBP-OUCADQQQSA-N 1 1 295.473 3.950 20 30 CHEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001180318164 1121973842 /nfs/dbraw/zinc/97/38/42/1121973842.db2.gz XUPBTKVSZNTJOM-HNNXBMFYSA-N 1 1 285.362 3.756 20 30 CHEDMO Cc1nc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)s1 ZINC000618801466 1121991363 /nfs/dbraw/zinc/99/13/63/1121991363.db2.gz BAYVXSPVMMPSQJ-MGPLVRAMSA-N 1 1 297.427 3.970 20 30 CHEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000733609569 1122001240 /nfs/dbraw/zinc/00/12/40/1122001240.db2.gz DCLIPQXKMYVNIG-HNNXBMFYSA-N 1 1 296.455 3.532 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(O)cc1O ZINC001204275358 1122002370 /nfs/dbraw/zinc/00/23/70/1122002370.db2.gz PHUGTWUMHACSDF-UHFFFAOYSA-N 1 1 251.370 3.500 20 30 CHEDMO C=CC[N@H+](C)Cc1cc2cc(Br)ccc2o1 ZINC001181044649 1122029752 /nfs/dbraw/zinc/02/97/52/1122029752.db2.gz XIZWMUWBIJBPHD-UHFFFAOYSA-N 1 1 280.165 3.813 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@H](CCC)OC)CCCC1(C)C ZINC001181297065 1122046964 /nfs/dbraw/zinc/04/69/64/1122046964.db2.gz KUFYEWQGSBHOLS-GJZGRUSLSA-N 1 1 253.430 3.868 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC001181314695 1122049209 /nfs/dbraw/zinc/04/92/09/1122049209.db2.gz GPPHLJIILXDDON-ZDUSSCGKSA-N 1 1 296.208 3.695 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1cccc(C2CC2)c1)C1CC1 ZINC000421319782 1122093704 /nfs/dbraw/zinc/09/37/04/1122093704.db2.gz OCANOZHADJIGKR-CYBMUJFWSA-N 1 1 254.377 3.688 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1cccc(C2CC2)c1)C1CC1 ZINC000421319782 1122093696 /nfs/dbraw/zinc/09/36/96/1122093696.db2.gz OCANOZHADJIGKR-CYBMUJFWSA-N 1 1 254.377 3.688 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3F)CC2)cc1 ZINC000502516280 1122098846 /nfs/dbraw/zinc/09/88/46/1122098846.db2.gz MXHJIRFOYCAQCO-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)s1 ZINC000421393368 1122111491 /nfs/dbraw/zinc/11/14/91/1122111491.db2.gz RPCWORBIQRFXSW-JTQLQIEISA-N 1 1 288.338 3.784 20 30 CHEDMO C=CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379904 1129034018 /nfs/dbraw/zinc/03/40/18/1129034018.db2.gz DLNHWEDGTNIQAG-SJORKVTESA-N 1 1 264.457 3.587 20 30 CHEDMO C=CCCCCCCCN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379904 1129034021 /nfs/dbraw/zinc/03/40/21/1129034021.db2.gz DLNHWEDGTNIQAG-SJORKVTESA-N 1 1 264.457 3.587 20 30 CHEDMO C=C(C)C[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502944880 1122158408 /nfs/dbraw/zinc/15/84/08/1122158408.db2.gz VCRGCRQDQIMSDG-HNNXBMFYSA-N 1 1 274.408 3.692 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC001183065030 1122204813 /nfs/dbraw/zinc/20/48/13/1122204813.db2.gz CXEOUHLOBBQCCG-OAHLLOKOSA-N 1 1 287.403 3.636 20 30 CHEDMO CC(=[NH+]OC1CCCC1)c1ccc(F)cc1N(C)C ZINC000774608577 1122214928 /nfs/dbraw/zinc/21/49/28/1122214928.db2.gz PRUAEUYLFKSYGU-UHFFFAOYSA-N 1 1 264.344 3.575 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)no1 ZINC000774838164 1122324857 /nfs/dbraw/zinc/32/48/57/1122324857.db2.gz BLKMCYZWNMTLBI-KRWDZBQOSA-N 1 1 281.359 3.500 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)no1 ZINC000774838164 1122324862 /nfs/dbraw/zinc/32/48/62/1122324862.db2.gz BLKMCYZWNMTLBI-KRWDZBQOSA-N 1 1 281.359 3.500 20 30 CHEDMO Cc1cc(Br)cc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000774839617 1122325009 /nfs/dbraw/zinc/32/50/09/1122325009.db2.gz NEYUOUPIBAUOHK-UHFFFAOYSA-N 1 1 295.224 3.882 20 30 CHEDMO Cc1cc(Br)cc(C[N@H+](CCC#N)C(C)C)c1 ZINC000774839617 1122325013 /nfs/dbraw/zinc/32/50/13/1122325013.db2.gz NEYUOUPIBAUOHK-UHFFFAOYSA-N 1 1 295.224 3.882 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)c2)CC12CCC2 ZINC000430090513 1122398046 /nfs/dbraw/zinc/39/80/46/1122398046.db2.gz NWFRTXJKTIBZGX-MRXNPFEDSA-N 1 1 254.377 3.569 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)cc2F)CC12CCC2 ZINC000430093674 1122403524 /nfs/dbraw/zinc/40/35/24/1122403524.db2.gz GNTPDOIWXGLVRG-MRXNPFEDSA-N 1 1 272.367 3.708 20 30 CHEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)cc1C#N ZINC000430108613 1122406328 /nfs/dbraw/zinc/40/63/28/1122406328.db2.gz UKGIGCKGYMMRSI-QGZVFWFLSA-N 1 1 284.403 3.577 20 30 CHEDMO Cc1cccc(OCC[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000469254068 1122417688 /nfs/dbraw/zinc/41/76/88/1122417688.db2.gz PCNSIMHETAKKTF-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000469254068 1122417689 /nfs/dbraw/zinc/41/76/89/1122417689.db2.gz PCNSIMHETAKKTF-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C1(CC)CC ZINC000434976529 1122425150 /nfs/dbraw/zinc/42/51/50/1122425150.db2.gz CLRXVWYHGNCSHJ-HUUCEWRRSA-N 1 1 298.496 3.549 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000505614967 1122438036 /nfs/dbraw/zinc/43/80/36/1122438036.db2.gz ZMSYFRICIVNTHM-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CCCCCCCC[C@H](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000775144825 1122444520 /nfs/dbraw/zinc/44/45/20/1122444520.db2.gz WZRAPXYZYUGSQA-KRWDZBQOSA-N 1 1 296.499 3.927 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000405149879 1122446355 /nfs/dbraw/zinc/44/63/55/1122446355.db2.gz GYNRPRJCQXIPJP-UHFFFAOYSA-N 1 1 282.309 3.879 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000775179828 1122467684 /nfs/dbraw/zinc/46/76/84/1122467684.db2.gz SDXAFOSKFXBPJD-OAHLLOKOSA-N 1 1 279.383 3.816 20 30 CHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000515551838 1122509230 /nfs/dbraw/zinc/50/92/30/1122509230.db2.gz WVHLPXICFORKHC-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC001190319321 1122532387 /nfs/dbraw/zinc/53/23/87/1122532387.db2.gz UNUFZOWRTMBJPF-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO C=CC[N@@H+](CCOCCCC)Cc1ccccc1F ZINC000515772491 1122537476 /nfs/dbraw/zinc/53/74/76/1122537476.db2.gz KNNXFSJTLMNTPX-UHFFFAOYSA-N 1 1 265.372 3.630 20 30 CHEDMO C=CC[N@H+](CCOCCCC)Cc1ccccc1F ZINC000515772491 1122537481 /nfs/dbraw/zinc/53/74/81/1122537481.db2.gz KNNXFSJTLMNTPX-UHFFFAOYSA-N 1 1 265.372 3.630 20 30 CHEDMO C#CCOCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC001190510795 1122541373 /nfs/dbraw/zinc/54/13/73/1122541373.db2.gz PWLDGLCECCVGKU-IBGZPJMESA-N 1 1 279.383 3.627 20 30 CHEDMO Cc1ncsc1CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529355 1122544439 /nfs/dbraw/zinc/54/44/39/1122544439.db2.gz BGHWLEUEKYMQRT-ZDUSSCGKSA-N 1 1 285.416 3.559 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1CC=CC1 ZINC001190615963 1122544486 /nfs/dbraw/zinc/54/44/86/1122544486.db2.gz KDSYNKNHFHATEV-UHFFFAOYSA-N 1 1 268.404 3.982 20 30 CHEDMO CCc1cc(CCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)on1 ZINC000425534388 1122545361 /nfs/dbraw/zinc/54/53/61/1122545361.db2.gz LYEIMNHOCFLBLF-AWEZNQCLSA-N 1 1 297.402 3.734 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1ccncc1Cl)c1ccccc1 ZINC000775398321 1122547967 /nfs/dbraw/zinc/54/79/67/1122547967.db2.gz GHIMZEYTTHPVSF-MRXNPFEDSA-N 1 1 270.763 3.589 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1c(C)cc(C)nc1C ZINC001190708092 1122551179 /nfs/dbraw/zinc/55/11/79/1122551179.db2.gz QBEQRUPBPNJCMG-UHFFFAOYSA-N 1 1 296.389 3.781 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1c(C)cc(C)nc1C ZINC001190708092 1122551183 /nfs/dbraw/zinc/55/11/83/1122551183.db2.gz QBEQRUPBPNJCMG-UHFFFAOYSA-N 1 1 296.389 3.781 20 30 CHEDMO C=CC[C@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC001190770380 1122554711 /nfs/dbraw/zinc/55/47/11/1122554711.db2.gz PYQUGHGJTOUCLH-HNNXBMFYSA-N 1 1 283.419 3.906 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001191191367 1122584653 /nfs/dbraw/zinc/58/46/53/1122584653.db2.gz ACXXGMHEPGTGPM-HXUWFJFHSA-N 1 1 290.410 3.665 20 30 CHEDMO CCCCCCCC(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001270134353 1122587894 /nfs/dbraw/zinc/58/78/94/1122587894.db2.gz LXHIUJZHNAOCHI-UHFFFAOYSA-N 1 1 294.483 3.681 20 30 CHEDMO CCCCCCCCC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001270164268 1122606860 /nfs/dbraw/zinc/60/68/60/1122606860.db2.gz SRVWKHUYTBRCRV-CALCHBBNSA-N 1 1 294.483 3.537 20 30 CHEDMO Cc1cnccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000516537821 1122610525 /nfs/dbraw/zinc/61/05/25/1122610525.db2.gz UXKFEVAKZYSHLN-MOPGFXCFSA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1cnccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000516537821 1122610527 /nfs/dbraw/zinc/61/05/27/1122610527.db2.gz UXKFEVAKZYSHLN-MOPGFXCFSA-N 1 1 291.398 3.662 20 30 CHEDMO C=C(CC)C[N@H+](C)[C@@H]1C[C@H](OCCCC)C1(C)C ZINC001191986017 1122623381 /nfs/dbraw/zinc/62/33/81/1122623381.db2.gz IOWUZMJSOGSFOK-CABCVRRESA-N 1 1 253.430 3.868 20 30 CHEDMO C=CC[C@@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001192172661 1122630615 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N#Cc1csc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000438379792 1122696113 /nfs/dbraw/zinc/69/61/13/1122696113.db2.gz YTYVWRLUFUBYCH-UHFFFAOYSA-N 1 1 260.406 3.776 20 30 CHEDMO CCC(CC)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506284159 1122712325 /nfs/dbraw/zinc/71/23/25/1122712325.db2.gz YSKBODOGBMSFSD-UHFFFAOYSA-N 1 1 299.462 3.502 20 30 CHEDMO C[C@H]([N@@H+](C)CC#Cc1cccc(Cl)c1)C1(C)CC1 ZINC000438569443 1122712523 /nfs/dbraw/zinc/71/25/23/1122712523.db2.gz SGEVUUZGXVFBRF-ZDUSSCGKSA-N 1 1 261.796 3.812 20 30 CHEDMO C[C@]1(F)CCC[N@H+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525296 1129073153 /nfs/dbraw/zinc/07/31/53/1129073153.db2.gz QKXAZVNKNJPZER-HNNXBMFYSA-N 1 1 282.309 3.551 20 30 CHEDMO C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525296 1129073154 /nfs/dbraw/zinc/07/31/54/1129073154.db2.gz QKXAZVNKNJPZER-HNNXBMFYSA-N 1 1 282.309 3.551 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@]1(CO)CCC ZINC001193962313 1122730520 /nfs/dbraw/zinc/73/05/20/1122730520.db2.gz FSXSQFPTFKFRGF-MRXNPFEDSA-N 1 1 255.446 3.974 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](OC)C1CCC1 ZINC001194051324 1122743882 /nfs/dbraw/zinc/74/38/82/1122743882.db2.gz BVMRGEPTXREPMC-GOSISDBHSA-N 1 1 273.420 3.880 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C ZINC000437899907 1122763170 /nfs/dbraw/zinc/76/31/70/1122763170.db2.gz XVJMKPUGNNJFEA-VXGBXAGGSA-N 1 1 294.345 3.780 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000439324297 1122772344 /nfs/dbraw/zinc/77/23/44/1122772344.db2.gz RWLWQDOVCGSBKU-GDBMZVCRSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCCC#N ZINC001205665467 1122780261 /nfs/dbraw/zinc/78/02/61/1122780261.db2.gz YXOZTRCWTRSKTB-SJLPKXTDSA-N 1 1 286.419 3.607 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C(C1CC1)C1CC1 ZINC000439451692 1122780834 /nfs/dbraw/zinc/78/08/34/1122780834.db2.gz MCWTVIHIWQGNKN-UHFFFAOYSA-N 1 1 274.795 3.832 20 30 CHEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCOc1ccccc1C#N ZINC001194533653 1122781813 /nfs/dbraw/zinc/78/18/13/1122781813.db2.gz GFOJMOQFAPRKEA-SFHVURJKSA-N 1 1 286.419 3.838 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@]1(C)CC(C)C ZINC001194534112 1122782438 /nfs/dbraw/zinc/78/24/38/1122782438.db2.gz OHINNBZLPFDNQD-GOSISDBHSA-N 1 1 286.419 3.967 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775603999 1122784324 /nfs/dbraw/zinc/78/43/24/1122784324.db2.gz NQMUKINQKLCXAH-UHFFFAOYSA-N 1 1 283.419 3.859 20 30 CHEDMO CCCCCCCCOC(=O)N[C@H]1CCC[N@@H+](C)CC1 ZINC001194748274 1122795070 /nfs/dbraw/zinc/79/50/70/1122795070.db2.gz REWXBWOKCJTUGO-HNNXBMFYSA-N 1 1 284.444 3.557 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)C2(C)CCCC2)cc(OC)c1O ZINC000426540864 1122815457 /nfs/dbraw/zinc/81/54/57/1122815457.db2.gz QVMUJMKSYVTDRW-UHFFFAOYSA-N 1 1 289.419 3.894 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000426557268 1122822095 /nfs/dbraw/zinc/82/20/95/1122822095.db2.gz FBGJZEVQWRMAOF-LBPRGKRZSA-N 1 1 250.411 3.807 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000426557268 1122822100 /nfs/dbraw/zinc/82/21/00/1122822100.db2.gz FBGJZEVQWRMAOF-LBPRGKRZSA-N 1 1 250.411 3.807 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(OC)c(OC)c1 ZINC000426568707 1122824413 /nfs/dbraw/zinc/82/44/13/1122824413.db2.gz SKPLYCPRGJNTAP-ZDUSSCGKSA-N 1 1 295.810 3.898 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)c(OC)c1 ZINC000426568707 1122824416 /nfs/dbraw/zinc/82/44/16/1122824416.db2.gz SKPLYCPRGJNTAP-ZDUSSCGKSA-N 1 1 295.810 3.898 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000229149293 1122867663 /nfs/dbraw/zinc/86/76/63/1122867663.db2.gz MOWCLGDILMXFTE-DYVFJYSZSA-N 1 1 256.393 3.877 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H]1CCCc2oc(C)nc21)c1ccncc1 ZINC000925075849 1122873637 /nfs/dbraw/zinc/87/36/37/1122873637.db2.gz RVQWYPIAPMMFSO-HUUCEWRRSA-N 1 1 283.375 3.662 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CC1CCCC1 ZINC000473744744 1122884286 /nfs/dbraw/zinc/88/42/86/1122884286.db2.gz ZTMHOYYSCKGAKM-OAHLLOKOSA-N 1 1 279.449 3.677 20 30 CHEDMO C=C(C)C[N@H+]1CCc2c(ccc(OC)c2OC)[C@@H]1CC ZINC001195788741 1122888794 /nfs/dbraw/zinc/88/87/94/1122888794.db2.gz IQBRGVKLQHZKMC-HNNXBMFYSA-N 1 1 275.392 3.589 20 30 CHEDMO C[N@H+](CCCC(C)(C)C#N)C(C)(C)CN1CCCCCC1 ZINC000426722776 1122911218 /nfs/dbraw/zinc/91/12/18/1122911218.db2.gz IUOUMIDOGXUMJD-UHFFFAOYSA-N 1 1 293.499 3.903 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)C(C)(C)CN1CCCCCC1 ZINC000426722776 1122911222 /nfs/dbraw/zinc/91/12/22/1122911222.db2.gz IUOUMIDOGXUMJD-UHFFFAOYSA-N 1 1 293.499 3.903 20 30 CHEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001196294321 1122916306 /nfs/dbraw/zinc/91/63/06/1122916306.db2.gz UGKOOZUDHNPTTP-OAHLLOKOSA-N 1 1 296.455 3.532 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@@H]1CCCC[C@H]1C ZINC001196323463 1122916903 /nfs/dbraw/zinc/91/69/03/1122916903.db2.gz VTUIHXRRRPNXTF-WCXIOVBPSA-N 1 1 263.425 3.765 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC001196442137 1122921367 /nfs/dbraw/zinc/92/13/67/1122921367.db2.gz NYNHJIBTHQHWAW-GFCCVEGCSA-N 1 1 283.387 3.955 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000507114937 1122925656 /nfs/dbraw/zinc/92/56/56/1122925656.db2.gz DBQHADGBHDVNMY-SFHVURJKSA-N 1 1 286.419 3.990 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000775731840 1122928268 /nfs/dbraw/zinc/92/82/68/1122928268.db2.gz IPHDRWDHRDLEQI-CYBMUJFWSA-N 1 1 292.810 3.864 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000507206720 1122937472 /nfs/dbraw/zinc/93/74/72/1122937472.db2.gz BZGXWLPXOXTOOG-RBUKOAKNSA-N 1 1 276.383 3.794 20 30 CHEDMO CCCCCCCC[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC001196907741 1122938952 /nfs/dbraw/zinc/93/89/52/1122938952.db2.gz NNQBQUQMICYKDV-UHFFFAOYSA-N 1 1 267.413 3.517 20 30 CHEDMO C=CCCC[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001196960458 1122940835 /nfs/dbraw/zinc/94/08/35/1122940835.db2.gz CXQTYDZWVSGIRX-BGYRXZFFSA-N 1 1 298.474 3.797 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000729474880 1122963936 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C=CC[C@H]1CC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC001198492139 1122994438 /nfs/dbraw/zinc/99/44/38/1122994438.db2.gz YMDDVDLSYYHZEJ-LBPRGKRZSA-N 1 1 271.282 3.578 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC001198492139 1122994441 /nfs/dbraw/zinc/99/44/41/1122994441.db2.gz YMDDVDLSYYHZEJ-LBPRGKRZSA-N 1 1 271.282 3.578 20 30 CHEDMO C#C[C@@H]1CCCC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001198527169 1122996549 /nfs/dbraw/zinc/99/65/49/1122996549.db2.gz YJIBCZMNWFFWLJ-CQSZACIVSA-N 1 1 298.213 3.860 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2ccccc2C1 ZINC000232531450 1123027761 /nfs/dbraw/zinc/02/77/61/1123027761.db2.gz VSAVOLVVNCVPQU-UHFFFAOYSA-N 1 1 272.392 3.601 20 30 CHEDMO C=CCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000473924688 1123093532 /nfs/dbraw/zinc/09/35/32/1123093532.db2.gz VXBZGEJWNIEYME-RDJZCZTQSA-N 1 1 259.393 3.641 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cs1 ZINC000894975254 1123095625 /nfs/dbraw/zinc/09/56/25/1123095625.db2.gz MWKILFLRSFQUDI-SNVBAGLBSA-N 1 1 288.338 3.784 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cs1 ZINC000894975254 1123095629 /nfs/dbraw/zinc/09/56/29/1123095629.db2.gz MWKILFLRSFQUDI-SNVBAGLBSA-N 1 1 288.338 3.784 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000155131630 1129098649 /nfs/dbraw/zinc/09/86/49/1129098649.db2.gz LCHJTXSGXQMBFC-HNNXBMFYSA-N 1 1 274.408 3.528 20 30 CHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001201423844 1123098286 /nfs/dbraw/zinc/09/82/86/1123098286.db2.gz UXEIXQJWKAGPSV-WMZOPIPTSA-N 1 1 296.414 3.758 20 30 CHEDMO Cc1coc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000895055015 1123126912 /nfs/dbraw/zinc/12/69/12/1123126912.db2.gz FZBAUYFDRLDHGP-ZDUSSCGKSA-N 1 1 254.333 3.653 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]2CCCC[C@H]12 ZINC000543908690 1123134648 /nfs/dbraw/zinc/13/46/48/1123134648.db2.gz LYEIMMCKAIGCOX-JLZZUVOBSA-N 1 1 272.367 3.708 20 30 CHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCCCCC)C2 ZINC001201746531 1123145254 /nfs/dbraw/zinc/14/52/54/1123145254.db2.gz KRBDZPRVYGCKHN-ROUUACIJSA-N 1 1 295.467 3.640 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201761425 1123147605 /nfs/dbraw/zinc/14/76/05/1123147605.db2.gz DPOPMVYGBSDTCA-QWHCGFSZSA-N 1 1 281.362 3.592 20 30 CHEDMO CCCCCCC[N@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001201762616 1123148555 /nfs/dbraw/zinc/14/85/55/1123148555.db2.gz QHSXFHKHIRGYHL-UHFFFAOYSA-N 1 1 275.440 3.612 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000520483502 1123149538 /nfs/dbraw/zinc/14/95/38/1123149538.db2.gz SJQPYVSYCKRGHA-OAHLLOKOSA-N 1 1 283.400 3.524 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000520483502 1123149541 /nfs/dbraw/zinc/14/95/41/1123149541.db2.gz SJQPYVSYCKRGHA-OAHLLOKOSA-N 1 1 283.400 3.524 20 30 CHEDMO CCCCCCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201797668 1123150546 /nfs/dbraw/zinc/15/05/46/1123150546.db2.gz BTUHNRZSNYUPPU-UHFFFAOYSA-N 1 1 277.408 3.816 20 30 CHEDMO CCCCCCC[N@H+]1CCc2onc(COCC)c2C1 ZINC001201777317 1123151142 /nfs/dbraw/zinc/15/11/42/1123151142.db2.gz VWDLBUMYGPYSHC-UHFFFAOYSA-N 1 1 280.412 3.540 20 30 CHEDMO CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001201852814 1123152041 /nfs/dbraw/zinc/15/20/41/1123152041.db2.gz MPNQPAJQGHSSBI-IYBDPMFKSA-N 1 1 253.430 3.705 20 30 CHEDMO CCCCCCCCCC[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001201852749 1123152507 /nfs/dbraw/zinc/15/25/07/1123152507.db2.gz JLULHHNMTNUBDM-JKSUJKDBSA-N 1 1 273.436 3.779 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2cnn(C)c2C1 ZINC001201852988 1123152518 /nfs/dbraw/zinc/15/25/18/1123152518.db2.gz WGGJGHWGXNLMMI-UHFFFAOYSA-N 1 1 263.429 3.529 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000181050916 1123161817 /nfs/dbraw/zinc/16/18/17/1123161817.db2.gz IYCZZAPTAQYREN-UHFFFAOYSA-N 1 1 250.411 3.809 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001202096797 1123175563 /nfs/dbraw/zinc/17/55/63/1123175563.db2.gz UBSBILJDHKOMKW-KRWDZBQOSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCO[C@H](CC)C1 ZINC000507791208 1123195810 /nfs/dbraw/zinc/19/58/10/1123195810.db2.gz BTFOHUMHKXMQFK-ZWKOTPCHSA-N 1 1 273.420 3.880 20 30 CHEDMO C=CCC[C@@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000320610683 1123212931 /nfs/dbraw/zinc/21/29/31/1123212931.db2.gz COXSOVKKPHKSFP-LBPRGKRZSA-N 1 1 276.767 3.627 20 30 CHEDMO C=CC[N@H+](CCC1(OC)CCC1)Cc1ccccc1F ZINC000338924598 1123229701 /nfs/dbraw/zinc/22/97/01/1123229701.db2.gz IQWGTCLKYJNMRQ-UHFFFAOYSA-N 1 1 277.383 3.773 20 30 CHEDMO CCCN(CCC)c1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000183817732 1129108018 /nfs/dbraw/zinc/10/80/18/1129108018.db2.gz ABBVNKRISDKYPV-OAHLLOKOSA-N 1 1 273.424 3.562 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc3ccccc3c2)CCCCC1 ZINC000850390307 1123261811 /nfs/dbraw/zinc/26/18/11/1123261811.db2.gz DUFULFMXBCTPHW-UHFFFAOYSA-N 1 1 279.387 3.798 20 30 CHEDMO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000270680733 1129110212 /nfs/dbraw/zinc/11/02/12/1129110212.db2.gz UPIIUHLBUIYJNF-UONOGXRCSA-N 1 1 260.381 3.992 20 30 CHEDMO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000850488183 1123274614 /nfs/dbraw/zinc/27/46/14/1123274614.db2.gz LUDBDCOAQNZIQY-QGZVFWFLSA-N 1 1 298.361 3.686 20 30 CHEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428221776 1123283858 /nfs/dbraw/zinc/28/38/58/1123283858.db2.gz LKRJTASHMQPXKQ-UHFFFAOYSA-N 1 1 268.335 3.722 20 30 CHEDMO C[C@H](c1ccco1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156397458 1129112315 /nfs/dbraw/zinc/11/23/15/1129112315.db2.gz WZZLRCSTMYTOGA-CYBMUJFWSA-N 1 1 273.763 3.978 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156397458 1129112316 /nfs/dbraw/zinc/11/23/16/1129112316.db2.gz WZZLRCSTMYTOGA-CYBMUJFWSA-N 1 1 273.763 3.978 20 30 CHEDMO C[C@@H](c1ccco1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156397329 1129112449 /nfs/dbraw/zinc/11/24/49/1129112449.db2.gz WZZLRCSTMYTOGA-ZDUSSCGKSA-N 1 1 273.763 3.978 20 30 CHEDMO C[C@@H](c1ccco1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156397329 1129112451 /nfs/dbraw/zinc/11/24/51/1129112451.db2.gz WZZLRCSTMYTOGA-ZDUSSCGKSA-N 1 1 273.763 3.978 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000442802980 1123340419 /nfs/dbraw/zinc/34/04/19/1123340419.db2.gz UVCKOTHVZIXJNS-GOSISDBHSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)ccc1C#N ZINC000442808824 1123340919 /nfs/dbraw/zinc/34/09/19/1123340919.db2.gz IOQPMHKTRKFASG-MRXNPFEDSA-N 1 1 298.411 3.965 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000851736453 1123376998 /nfs/dbraw/zinc/37/69/98/1123376998.db2.gz QDXVMYIEHUGGBS-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO C[N@@H+](C/C=C/c1ccc(F)cc1F)Cc1cccc(C#N)c1 ZINC000544609686 1123378146 /nfs/dbraw/zinc/37/81/46/1123378146.db2.gz QGEUUTKJHHDJMA-ZZXKWVIFSA-N 1 1 298.336 3.982 20 30 CHEDMO Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C#N)cc2c1C ZINC000335693644 1123396070 /nfs/dbraw/zinc/39/60/70/1123396070.db2.gz KSDPGBGOOYIGJX-CJNGLKHVSA-N 1 1 267.376 3.567 20 30 CHEDMO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C#N)cc2c1C ZINC000335693645 1123396461 /nfs/dbraw/zinc/39/64/61/1123396461.db2.gz KSDPGBGOOYIGJX-CZUORRHYSA-N 1 1 267.376 3.567 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccsc2)oc1C ZINC000852099063 1123396842 /nfs/dbraw/zinc/39/68/42/1123396842.db2.gz CRNAFNNLEBEZGR-HNNXBMFYSA-N 1 1 274.389 3.603 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2cccs2)oc1C ZINC000852097988 1123397298 /nfs/dbraw/zinc/39/72/98/1123397298.db2.gz BTKVBJNZOYRLKR-HNNXBMFYSA-N 1 1 274.389 3.603 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000852411054 1123404282 /nfs/dbraw/zinc/40/42/82/1123404282.db2.gz ROFNAQRNFBJWKL-LBPRGKRZSA-N 1 1 250.773 3.523 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852686462 1123411794 /nfs/dbraw/zinc/41/17/94/1123411794.db2.gz VIYYVXRDISDYKN-OKILXGFUSA-N 1 1 292.766 3.931 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2nccnc2C1 ZINC000852697538 1123412490 /nfs/dbraw/zinc/41/24/90/1123412490.db2.gz FRDAEMNIYMSGDD-UHFFFAOYSA-N 1 1 261.413 3.585 20 30 CHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CC2CCC2)cc1 ZINC000852712710 1123414076 /nfs/dbraw/zinc/41/40/76/1123414076.db2.gz UGOYJMKNCHTEMU-RTBURBONSA-N 1 1 298.430 3.636 20 30 CHEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](CC)C1)[C@@H]1CCc2ccccc21 ZINC000780753312 1123416763 /nfs/dbraw/zinc/41/67/63/1123416763.db2.gz FIVJOGJPMYUYHK-IMFGXOCKSA-N 1 1 297.442 3.814 20 30 CHEDMO C=C(C)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191345035 1123421648 /nfs/dbraw/zinc/42/16/48/1123421648.db2.gz WZGIHELDUSUIGX-UHFFFAOYSA-N 1 1 266.388 3.702 20 30 CHEDMO C#Cc1cccnc1NCc1ccccc1C[N@H+](C)C(C)C ZINC000853163915 1123427091 /nfs/dbraw/zinc/42/70/91/1123427091.db2.gz XINSIGUWDLOCOA-UHFFFAOYSA-N 1 1 293.414 3.515 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000111250619 1123436342 /nfs/dbraw/zinc/43/63/42/1123436342.db2.gz ILEFSQZEIICQBJ-OAHLLOKOSA-N 1 1 294.826 3.635 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000111250619 1123436343 /nfs/dbraw/zinc/43/63/43/1123436343.db2.gz ILEFSQZEIICQBJ-OAHLLOKOSA-N 1 1 294.826 3.635 20 30 CHEDMO Cc1ccc(F)cc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000853393619 1123438493 /nfs/dbraw/zinc/43/84/93/1123438493.db2.gz NHRFZCJVOUJRQT-UHFFFAOYSA-N 1 1 298.365 3.575 20 30 CHEDMO CCCCNc1[nH+]c2ccccc2n1CC1(CC#N)CC1 ZINC000853637350 1123444845 /nfs/dbraw/zinc/44/48/45/1123444845.db2.gz BBLNTLBYGDNTAB-UHFFFAOYSA-N 1 1 282.391 3.942 20 30 CHEDMO N#CCC[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000443639205 1123455228 /nfs/dbraw/zinc/45/52/28/1123455228.db2.gz NMVBURYBMKUXFZ-QGZVFWFLSA-N 1 1 256.393 3.777 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H](C)C1 ZINC000443659166 1123465736 /nfs/dbraw/zinc/46/57/36/1123465736.db2.gz SYPNIEQYNQTCPY-OLZOCXBDSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895556813 1123491479 /nfs/dbraw/zinc/49/14/79/1123491479.db2.gz CHYMMWAXQBTGPV-SNVBAGLBSA-N 1 1 290.354 3.646 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1cc2cc(C)c(C)cc2o1 ZINC000779807034 1129126191 /nfs/dbraw/zinc/12/61/91/1129126191.db2.gz MFWSHYFZSGBFLR-UHFFFAOYSA-N 1 1 279.343 3.703 20 30 CHEDMO CCc1c2ccccc2oc1C(C)=NNc1cc[nH+]cc1 ZINC000779812019 1129127759 /nfs/dbraw/zinc/12/77/59/1129127759.db2.gz WGYOHNYUVBNLBB-UHFFFAOYSA-N 1 1 279.343 3.648 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227710 1123564013 /nfs/dbraw/zinc/56/40/13/1123564013.db2.gz OKNNMHZFGWKRBZ-LBPRGKRZSA-N 1 1 292.320 3.683 20 30 CHEDMO Cc1cccc([C@H]2CCCCC[N@H+]2CCOCCC#N)c1 ZINC000338999402 1123571371 /nfs/dbraw/zinc/57/13/71/1123571371.db2.gz GSVWASSLEQOJCG-GOSISDBHSA-N 1 1 286.419 3.842 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C#N)C2)s1 ZINC000338999960 1123572809 /nfs/dbraw/zinc/57/28/09/1123572809.db2.gz LNNRAGJZMUOSMC-MJBXVCDLSA-N 1 1 260.406 3.886 20 30 CHEDMO CON=C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857206820 1123590761 /nfs/dbraw/zinc/59/07/61/1123590761.db2.gz IJGOTHQBXVWZSK-KRWDZBQOSA-N 1 1 274.408 3.557 20 30 CHEDMO C#Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)cn1 ZINC000857832633 1123620888 /nfs/dbraw/zinc/62/08/88/1123620888.db2.gz WTAJPLAHFCRERL-HNNXBMFYSA-N 1 1 276.383 3.714 20 30 CHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857869072 1123623148 /nfs/dbraw/zinc/62/31/48/1123623148.db2.gz JHYIRMLDBQYDSA-IRXDYDNUSA-N 1 1 281.403 3.564 20 30 CHEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857869071 1123623669 /nfs/dbraw/zinc/62/36/69/1123623669.db2.gz JHYIRMLDBQYDSA-IAGOWNOFSA-N 1 1 281.403 3.564 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000346510157 1123690629 /nfs/dbraw/zinc/69/06/29/1123690629.db2.gz PVICPBQLBZLGBJ-CYBMUJFWSA-N 1 1 291.354 3.892 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000346510157 1123690631 /nfs/dbraw/zinc/69/06/31/1123690631.db2.gz PVICPBQLBZLGBJ-CYBMUJFWSA-N 1 1 291.354 3.892 20 30 CHEDMO C=CCC1([NH2+]CC(F)(F)C(F)F)CCCCC1 ZINC000859746826 1123707818 /nfs/dbraw/zinc/70/78/18/1123707818.db2.gz XJILKGKDAZZXNP-UHFFFAOYSA-N 1 1 253.283 3.755 20 30 CHEDMO C=CCCC[N@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639498673 1123753326 /nfs/dbraw/zinc/75/33/26/1123753326.db2.gz AWARMAHRCCWQCI-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO C=C(C)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000103469020 1123786689 /nfs/dbraw/zinc/78/66/89/1123786689.db2.gz GCOBAFWOZRETGT-UHFFFAOYSA-N 1 1 282.387 3.842 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000862443168 1123809934 /nfs/dbraw/zinc/80/99/34/1123809934.db2.gz LIAIGINXJRMPAS-GFCCVEGCSA-N 1 1 267.294 3.551 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000862443679 1123811802 /nfs/dbraw/zinc/81/18/02/1123811802.db2.gz RWFNBRQLOBPSJM-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO C#CCCCCCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001168058669 1123815075 /nfs/dbraw/zinc/81/50/75/1123815075.db2.gz CNDHYKATOYUWEB-CEXWTWQISA-N 1 1 290.495 3.907 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CC(C)(C)COC ZINC000475278727 1123830872 /nfs/dbraw/zinc/83/08/72/1123830872.db2.gz JWHWCEPKXJGXQJ-UHFFFAOYSA-N 1 1 261.409 3.737 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000794461431 1123834617 /nfs/dbraw/zinc/83/46/17/1123834617.db2.gz JPSFNEZMWJAXOM-GOSISDBHSA-N 1 1 278.330 3.552 20 30 CHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000794487942 1123847635 /nfs/dbraw/zinc/84/76/35/1123847635.db2.gz NHEWRZYOBHOIHK-LLVKDONJSA-N 1 1 274.364 3.918 20 30 CHEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2C)s1 ZINC000186329334 1123849759 /nfs/dbraw/zinc/84/97/59/1123849759.db2.gz BISHBNNTYWFVPB-UHFFFAOYSA-N 1 1 285.416 3.657 20 30 CHEDMO C=C(C)C[NH+]1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000301248540 1123884990 /nfs/dbraw/zinc/88/49/90/1123884990.db2.gz INSTUBUHERRSNB-UHFFFAOYSA-N 1 1 299.393 3.826 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227195847 1129157368 /nfs/dbraw/zinc/15/73/68/1129157368.db2.gz XECLOJBKVBPIHE-CVEARBPZSA-N 1 1 255.446 3.830 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cncc(Cl)c1 ZINC000621275934 1129160125 /nfs/dbraw/zinc/16/01/25/1129160125.db2.gz NQMPZTPQOTUIBS-UHFFFAOYSA-N 1 1 276.767 3.559 20 30 CHEDMO Cc1cc(C2CC[NH+](CCCCC(C)(C)C#N)CC2)n[nH]1 ZINC000444667984 1124051175 /nfs/dbraw/zinc/05/11/75/1124051175.db2.gz BDHBIVNOKABJNK-UHFFFAOYSA-N 1 1 288.439 3.618 20 30 CHEDMO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc(C#N)c1O ZINC000866319669 1124051860 /nfs/dbraw/zinc/05/18/60/1124051860.db2.gz KPPKURJQSCNVSU-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO Cc1cc(C[N@@H+](C)CC#Cc2ccccc2)ccc1F ZINC000444737892 1124057916 /nfs/dbraw/zinc/05/79/16/1124057916.db2.gz CBINBTRFZPWKIS-UHFFFAOYSA-N 1 1 267.347 3.618 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C(=O)OC)co2)CCCC1(C)C ZINC000444773422 1124062979 /nfs/dbraw/zinc/06/29/79/1124062979.db2.gz DEVSUTJMHWGGQV-HNNXBMFYSA-N 1 1 291.391 3.633 20 30 CHEDMO C=CC[C@H]1[N@H+](CC[C@@H]2CCCO2)CCCC1(C)C ZINC000444777660 1124063621 /nfs/dbraw/zinc/06/36/21/1124063621.db2.gz SXTQHORTHKLPKV-LSDHHAIUSA-N 1 1 251.414 3.622 20 30 CHEDMO Cc1cccnc1[C@H]([NH2+]Cc1cccc(F)c1C#N)C(C)C ZINC000428388410 1124073295 /nfs/dbraw/zinc/07/32/95/1124073295.db2.gz IQFXECHNLDUTKT-QGZVFWFLSA-N 1 1 297.377 3.888 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(C)c(C)cc1OC(F)F ZINC000428388398 1124073373 /nfs/dbraw/zinc/07/33/73/1124073373.db2.gz IPJHYJPNPPKEJT-UHFFFAOYSA-N 1 1 255.308 3.523 20 30 CHEDMO C=CC[N@H+](C)C[C@H](C)c1cccc(Br)c1 ZINC000428396547 1124079362 /nfs/dbraw/zinc/07/93/62/1124079362.db2.gz CYICDZGXDUWVFF-NSHDSACASA-N 1 1 268.198 3.670 20 30 CHEDMO C=CC[N@H+](C)C[C@@H](C)c1cccc(Br)c1 ZINC000428396546 1124079398 /nfs/dbraw/zinc/07/93/98/1124079398.db2.gz CYICDZGXDUWVFF-LLVKDONJSA-N 1 1 268.198 3.670 20 30 CHEDMO C=CC[N@H+](Cc1c(C)nc2ccccn21)Cc1ccccc1 ZINC000508554359 1124108237 /nfs/dbraw/zinc/10/82/37/1124108237.db2.gz UMRAHKBICZMSSM-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000446830012 1124124242 /nfs/dbraw/zinc/12/42/42/1124124242.db2.gz NUAKMOKBWSQXRF-INIZCTEOSA-N 1 1 281.374 3.913 20 30 CHEDMO C=CCc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc(OC)c1O ZINC000428455539 1124125415 /nfs/dbraw/zinc/12/54/15/1124125415.db2.gz SPQQYWHLXSLDAB-ZBFHGGJFSA-N 1 1 287.403 3.504 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000428468022 1124132548 /nfs/dbraw/zinc/13/25/48/1124132548.db2.gz LYCWYVQIXZWTQV-QGZVFWFLSA-N 1 1 272.367 3.852 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc1C#N ZINC001238775850 1131244500 /nfs/dbraw/zinc/24/45/00/1131244500.db2.gz PHVBESVFPPQVJX-LJQANCHMSA-N 1 1 291.398 3.853 20 30 CHEDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001238781559 1131246304 /nfs/dbraw/zinc/24/63/04/1131246304.db2.gz NCAQLEDGQRHEJU-GFCCVEGCSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001238781559 1131246309 /nfs/dbraw/zinc/24/63/09/1131246309.db2.gz NCAQLEDGQRHEJU-GFCCVEGCSA-N 1 1 280.774 3.913 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)cc(F)cc2Cl)C1 ZINC001238786108 1131248103 /nfs/dbraw/zinc/24/81/03/1131248103.db2.gz XDGHFUZOENWRPE-LBPRGKRZSA-N 1 1 265.759 3.633 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935986 1131259948 /nfs/dbraw/zinc/25/99/48/1131259948.db2.gz WUQFOLPXHIOGNX-CQSZACIVSA-N 1 1 276.811 3.823 20 30 CHEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000122143533 1124469766 /nfs/dbraw/zinc/46/97/66/1124469766.db2.gz GYHLBYYDWGRSNL-JKSUJKDBSA-N 1 1 282.472 3.536 20 30 CHEDMO C#CC1CC[NH+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142118722 1124469851 /nfs/dbraw/zinc/46/98/51/1124469851.db2.gz XTFOLPUTORDPTA-UHFFFAOYSA-N 1 1 284.186 3.544 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ccc(F)nc1 ZINC001119702007 1131262823 /nfs/dbraw/zinc/26/28/23/1131262823.db2.gz JJDSOXMNXWQINY-CYBMUJFWSA-N 1 1 274.339 3.605 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449021934 1124639561 /nfs/dbraw/zinc/63/95/61/1124639561.db2.gz FVGMMNLZIXDLNO-UHFFFAOYSA-N 1 1 285.391 3.980 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449021934 1124639563 /nfs/dbraw/zinc/63/95/63/1124639563.db2.gz FVGMMNLZIXDLNO-UHFFFAOYSA-N 1 1 285.391 3.980 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449022831 1124639793 /nfs/dbraw/zinc/63/97/93/1124639793.db2.gz KYHDCERZDBKUDH-UHFFFAOYSA-N 1 1 271.364 3.590 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449022831 1124639796 /nfs/dbraw/zinc/63/97/96/1124639796.db2.gz KYHDCERZDBKUDH-UHFFFAOYSA-N 1 1 271.364 3.590 20 30 CHEDMO COc1cccc2c(C[N@H+](C)[C@H](C)CC#N)cccc12 ZINC000449023245 1124639865 /nfs/dbraw/zinc/63/98/65/1124639865.db2.gz OWRAGVQJWPXNON-CYBMUJFWSA-N 1 1 268.360 3.582 20 30 CHEDMO COc1cccc2c(C[N@@H+](C)[C@H](C)CC#N)cccc12 ZINC000449023245 1124639868 /nfs/dbraw/zinc/63/98/68/1124639868.db2.gz OWRAGVQJWPXNON-CYBMUJFWSA-N 1 1 268.360 3.582 20 30 CHEDMO C=CC[C@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449151722 1124656494 /nfs/dbraw/zinc/65/64/94/1124656494.db2.gz YHIOIYAOSIOKRX-IRXDYDNUSA-N 1 1 286.463 3.636 20 30 CHEDMO C=CCC[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449268242 1124680376 /nfs/dbraw/zinc/68/03/76/1124680376.db2.gz FJSIQSGUJCDZHS-UHFFFAOYSA-N 1 1 276.380 3.957 20 30 CHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000872175621 1124697810 /nfs/dbraw/zinc/69/78/10/1124697810.db2.gz KHHMRYLGTZKHKQ-IEBDPFPHSA-N 1 1 269.776 3.506 20 30 CHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000872176130 1124698096 /nfs/dbraw/zinc/69/80/96/1124698096.db2.gz NJZYQNNCJDPRDD-RFBVYIQQSA-N 1 1 269.776 3.506 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CC(C)=C[C@H](C)C1 ZINC000872417894 1124713807 /nfs/dbraw/zinc/71/38/07/1124713807.db2.gz SPUGIZNECOJGFF-GXSJLCMTSA-N 1 1 296.465 3.548 20 30 CHEDMO Cc1ccccc1CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000449380429 1124716839 /nfs/dbraw/zinc/71/68/39/1124716839.db2.gz MZRRHRSPTNKFLN-UHFFFAOYSA-N 1 1 270.401 3.603 20 30 CHEDMO C[N@@H+](Cn1ccc(=S)c2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000872684790 1124725372 /nfs/dbraw/zinc/72/53/72/1124725372.db2.gz RVAOQXKHTODNPM-ZFWWWQNUSA-N 1 1 297.427 3.952 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)o2)CC12CCCC2 ZINC000449791601 1124875618 /nfs/dbraw/zinc/87/56/18/1124875618.db2.gz POFYBAUOZWZRPV-HNNXBMFYSA-N 1 1 258.365 3.552 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)CC1CC(F)(F)C1 ZINC000450220124 1124949804 /nfs/dbraw/zinc/94/98/04/1124949804.db2.gz GULARJDNGYARDG-UHFFFAOYSA-N 1 1 257.349 3.781 20 30 CHEDMO CC[N@@H+](CC1(C#N)CCC1)[C@H](C)c1ccc(F)cc1 ZINC000450289359 1124967512 /nfs/dbraw/zinc/96/75/12/1124967512.db2.gz UZOMPNROQOWFOG-CYBMUJFWSA-N 1 1 260.356 3.902 20 30 CHEDMO N#Cc1ccc(C[N@H+](C[C@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC000450298839 1124970632 /nfs/dbraw/zinc/97/06/32/1124970632.db2.gz OBZVWUVMMMZLSH-HNNXBMFYSA-N 1 1 290.357 3.958 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876683252 1124971594 /nfs/dbraw/zinc/97/15/94/1124971594.db2.gz RCLWQUPPTRGSLW-CYBMUJFWSA-N 1 1 277.799 3.617 20 30 CHEDMO CC[N@@H+](CC1(C#N)CCC1)[C@@H](C)c1cccc(OC)c1 ZINC000450283585 1124971656 /nfs/dbraw/zinc/97/16/56/1124971656.db2.gz KCEHAGCXQRQZHM-AWEZNQCLSA-N 1 1 272.392 3.772 20 30 CHEDMO Cc1ccc2c(C)cc(NCCCS)[nH+]c2c1C ZINC001159871932 1131322520 /nfs/dbraw/zinc/32/25/20/1131322520.db2.gz WWBPBCHKWLKBPI-UHFFFAOYSA-N 1 1 260.406 3.892 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000876802102 1124980071 /nfs/dbraw/zinc/98/00/71/1124980071.db2.gz BNAUCGYXGGKINA-ILXRZTDVSA-N 1 1 292.448 3.576 20 30 CHEDMO CC[C@@H]1CCCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000610080187 1124997436 /nfs/dbraw/zinc/99/74/36/1124997436.db2.gz VREBGCKQUJBMCX-MRXNPFEDSA-N 1 1 281.403 3.966 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC001137120388 1125031051 /nfs/dbraw/zinc/03/10/51/1125031051.db2.gz IVSJBBBUFNSYMD-FUHWJXTLSA-N 1 1 284.403 3.744 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CCC(=O)CC1 ZINC000450453474 1125032218 /nfs/dbraw/zinc/03/22/18/1125032218.db2.gz PKEBDVCWZFXZNC-RTBURBONSA-N 1 1 296.414 3.517 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877509392 1125036785 /nfs/dbraw/zinc/03/67/85/1125036785.db2.gz JODHAZPVDBFOET-RISCZKNCSA-N 1 1 277.799 3.617 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001137122791 1125048768 /nfs/dbraw/zinc/04/87/68/1125048768.db2.gz SJSYDRPBBPEYBH-IAGOWNOFSA-N 1 1 284.403 3.601 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000877658298 1125060167 /nfs/dbraw/zinc/06/01/67/1125060167.db2.gz WHUHEHKTENWMPY-LEUOFYLZSA-N 1 1 268.404 3.662 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1scnc1C1CC1 ZINC000877705285 1125066908 /nfs/dbraw/zinc/06/69/08/1125066908.db2.gz YTYFBHBSWLDNIY-UHFFFAOYSA-N 1 1 297.427 3.567 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(Br)c1 ZINC000450669759 1125082685 /nfs/dbraw/zinc/08/26/85/1125082685.db2.gz QSTHQIMBMMFHJR-LLVKDONJSA-N 1 1 293.208 3.794 20 30 CHEDMO CC(C)([NH2+]CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000450672992 1125083599 /nfs/dbraw/zinc/08/35/99/1125083599.db2.gz MUUPXLPZFDKSLH-UHFFFAOYSA-N 1 1 262.784 3.859 20 30 CHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001168124282 1125093723 /nfs/dbraw/zinc/09/37/23/1125093723.db2.gz DCYHQUFYOYDDHR-YJBOKZPZSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CC[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000878304584 1125138099 /nfs/dbraw/zinc/13/80/99/1125138099.db2.gz OMQZXNVPPVGRGD-ZNMIVQPWSA-N 1 1 296.455 3.576 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000127057789 1125143141 /nfs/dbraw/zinc/14/31/41/1125143141.db2.gz AZQZWJVQPVPMDH-CYBMUJFWSA-N 1 1 298.411 3.597 20 30 CHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878453959 1125155387 /nfs/dbraw/zinc/15/53/87/1125155387.db2.gz PXOJKAZZYBVTNV-KFKAGJAMSA-N 1 1 298.430 3.547 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H](C)C1)c1ccccc1 ZINC000878452459 1125155410 /nfs/dbraw/zinc/15/54/10/1125155410.db2.gz UWCLLQUUIXOKRO-LPHOPBHVSA-N 1 1 298.430 3.549 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878523870 1125158409 /nfs/dbraw/zinc/15/84/09/1125158409.db2.gz JIRGWPAHNMUDAZ-HNNXBMFYSA-N 1 1 298.386 3.891 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878523870 1125158413 /nfs/dbraw/zinc/15/84/13/1125158413.db2.gz JIRGWPAHNMUDAZ-HNNXBMFYSA-N 1 1 298.386 3.891 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC(C)(C)C[C@H]1C)c1ccccc1 ZINC000878712521 1125175624 /nfs/dbraw/zinc/17/56/24/1125175624.db2.gz YYCOEHCBSDHFQA-DNVCBOLYSA-N 1 1 298.430 3.547 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000878729436 1125176488 /nfs/dbraw/zinc/17/64/88/1125176488.db2.gz ZXKACOUHESWDRB-WMLDXEAASA-N 1 1 284.403 3.653 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(Cl)n1 ZINC000878991546 1125188854 /nfs/dbraw/zinc/18/88/54/1125188854.db2.gz KXWFOFNFZXXYRB-OKILXGFUSA-N 1 1 262.784 3.726 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878992487 1125189087 /nfs/dbraw/zinc/18/90/87/1125189087.db2.gz ZNPYWRVXMDTWRD-RCCFBDPRSA-N 1 1 284.403 3.532 20 30 CHEDMO 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CC[NH+](CC)c1ccc(Nc2ncc(C)cc2C#N)cc1 ZINC001212969225 1129639862 /nfs/dbraw/zinc/63/98/62/1129639862.db2.gz UIYAOSBXXCEJRO-UHFFFAOYSA-N 1 1 280.375 3.852 20 30 CHEDMO C=CC[C@H](C)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC001168847957 1129679592 /nfs/dbraw/zinc/67/95/92/1129679592.db2.gz HOAVBKNDDKPVCL-CABCVRRESA-N 1 1 261.409 3.770 20 30 CHEDMO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000103028038 1129684064 /nfs/dbraw/zinc/68/40/64/1129684064.db2.gz NQTULGVNJSFIGW-HOTGVXAUSA-N 1 1 266.473 3.809 20 30 CHEDMO CCCCC[N@@H+](CCCOC)Cc1ccc(C#N)cc1C ZINC001169178052 1129707596 /nfs/dbraw/zinc/70/75/96/1129707596.db2.gz OLGNWQKUFQUMCB-UHFFFAOYSA-N 1 1 288.435 3.895 20 30 CHEDMO CC(C)CC(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000828639569 1131394550 /nfs/dbraw/zinc/39/45/50/1131394550.db2.gz IMPZFMUAOZSNII-CQSZACIVSA-N 1 1 272.392 3.556 20 30 CHEDMO C=CC[C@H]1[N@@H+](CC[C@@H]2COC(C)(C)O2)CCCC1(C)C ZINC001169844664 1129760101 /nfs/dbraw/zinc/76/01/01/1129760101.db2.gz OWHVSXKSXPLQCQ-HUUCEWRRSA-N 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ONAIORZDOYLOSH-AWEZNQCLSA-N 1 1 296.418 3.582 20 30 CHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000767907741 1129821214 /nfs/dbraw/zinc/82/12/14/1129821214.db2.gz SFWZLSRECFRRTC-CRAIPNDOSA-N 1 1 286.419 3.990 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000768153292 1129835684 /nfs/dbraw/zinc/83/56/84/1129835684.db2.gz CMYJEASWESVOIK-UHFFFAOYSA-N 1 1 288.420 3.510 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000768153292 1129835687 /nfs/dbraw/zinc/83/56/87/1129835687.db2.gz CMYJEASWESVOIK-UHFFFAOYSA-N 1 1 288.420 3.510 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC001139029438 1129837259 /nfs/dbraw/zinc/83/72/59/1129837259.db2.gz YCBQYHVCNKENJZ-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC001139029438 1129837262 /nfs/dbraw/zinc/83/72/62/1129837262.db2.gz YCBQYHVCNKENJZ-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001139029832 1129839245 /nfs/dbraw/zinc/83/92/45/1129839245.db2.gz QVZKZEUNYCUTMG-HUUCEWRRSA-N 1 1 259.393 3.872 20 30 CHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc3sccc3c2)no1 ZINC000822808794 1131401295 /nfs/dbraw/zinc/40/12/95/1131401295.db2.gz YTXKGAXFCFQZEC-GFCCVEGCSA-N 1 1 298.371 3.645 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768316262 1129851755 /nfs/dbraw/zinc/85/17/55/1129851755.db2.gz BNNJCZGJBMDQAO-RHSMWYFYSA-N 1 1 272.392 3.598 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cccnc1C ZINC001139030433 1129855919 /nfs/dbraw/zinc/85/59/19/1129855919.db2.gz GZRZPEJCCVYKAA-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cccnc1C ZINC001139030433 1129855920 /nfs/dbraw/zinc/85/59/20/1129855920.db2.gz GZRZPEJCCVYKAA-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000768549945 1129862091 /nfs/dbraw/zinc/86/20/91/1129862091.db2.gz GYKWNYAZACBCJL-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO C=CC[N@H+](Cc1cc2cc(OC)ccc2o1)C(C)C ZINC000768551615 1129862577 /nfs/dbraw/zinc/86/25/77/1129862577.db2.gz QLSWBNUHUOWPER-UHFFFAOYSA-N 1 1 259.349 3.838 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(C(C)(C)C)s1)C(C)C ZINC000768546671 1129863083 /nfs/dbraw/zinc/86/30/83/1129863083.db2.gz BZPZBIFRZZWZNJ-UHFFFAOYSA-N 1 1 252.427 3.837 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC1CC1 ZINC000768674139 1129868718 /nfs/dbraw/zinc/86/87/18/1129868718.db2.gz MJOINBAERZUAAI-UHFFFAOYSA-N 1 1 285.435 3.657 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000768766008 1129871117 /nfs/dbraw/zinc/87/11/17/1129871117.db2.gz XWFWUUGBDVQYQO-UHFFFAOYSA-N 1 1 285.435 3.801 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000768766008 1129871124 /nfs/dbraw/zinc/87/11/24/1129871124.db2.gz XWFWUUGBDVQYQO-UHFFFAOYSA-N 1 1 285.435 3.801 20 30 CHEDMO C#CC[N@H+](Cc1cccc(OCC)c1O)C1CCCCC1 ZINC000769145669 1129892591 /nfs/dbraw/zinc/89/25/91/1129892591.db2.gz MQUUJVHPAHBNFG-UHFFFAOYSA-N 1 1 287.403 3.559 20 30 CHEDMO C#CCCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000769655322 1129920506 /nfs/dbraw/zinc/92/05/06/1129920506.db2.gz ZUBHETZSYIHTAA-UHFFFAOYSA-N 1 1 291.354 3.577 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000801518067 1129923682 /nfs/dbraw/zinc/92/36/82/1129923682.db2.gz SPXBIFFNUOVKBT-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000801518067 1129923685 /nfs/dbraw/zinc/92/36/85/1129923685.db2.gz SPXBIFFNUOVKBT-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C#C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000801545118 1129926177 /nfs/dbraw/zinc/92/61/77/1129926177.db2.gz ZPPIYAUWDSHZJJ-MOPGFXCFSA-N 1 1 291.394 3.546 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000801550514 1129926770 /nfs/dbraw/zinc/92/67/70/1129926770.db2.gz FJIJYXLNXXAFFY-HNNXBMFYSA-N 1 1 290.455 3.599 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000769960353 1129932208 /nfs/dbraw/zinc/93/22/08/1129932208.db2.gz BIAWVDUCNGGVFT-VIFPVBQESA-N 1 1 286.600 3.556 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000769960353 1129932211 /nfs/dbraw/zinc/93/22/11/1129932211.db2.gz BIAWVDUCNGGVFT-VIFPVBQESA-N 1 1 286.600 3.556 20 30 CHEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCCC1(C)C ZINC000769954017 1129931595 /nfs/dbraw/zinc/93/15/95/1129931595.db2.gz QMTAMEXMELBIFU-ZWKOTPCHSA-N 1 1 298.430 3.658 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000769962088 1129932096 /nfs/dbraw/zinc/93/20/96/1129932096.db2.gz BCHMJNXSLJOLMD-CYBMUJFWSA-N 1 1 299.336 3.818 20 30 CHEDMO C=CCCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000769936710 1129933231 /nfs/dbraw/zinc/93/32/31/1129933231.db2.gz ODHZVXLQQNHTSB-UHFFFAOYSA-N 1 1 298.224 3.909 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1C[C@H]1c1ccccc1 ZINC000770349959 1129946005 /nfs/dbraw/zinc/94/60/05/1129946005.db2.gz OQHRVYGYCFDZPY-HOTGVXAUSA-N 1 1 268.385 3.608 20 30 CHEDMO C=CC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000771791691 1129989635 /nfs/dbraw/zinc/98/96/35/1129989635.db2.gz QSCLZMRNOJLUFG-UHFFFAOYSA-N 1 1 275.436 3.668 20 30 CHEDMO C#CCOc1ccccc1C[NH2+]Cc1cscc1Cl ZINC000771962530 1129998586 /nfs/dbraw/zinc/99/85/86/1129998586.db2.gz INRHPYLBDFPNEN-UHFFFAOYSA-N 1 1 291.803 3.703 20 30 CHEDMO C=CCCCC[N@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001171005193 1131413606 /nfs/dbraw/zinc/41/36/06/1131413606.db2.gz MULJVLVXQRKWSU-HNNXBMFYSA-N 1 1 261.384 3.971 20 30 CHEDMO CCC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902789336 1130058202 /nfs/dbraw/zinc/05/82/02/1130058202.db2.gz FHHFFLVWLVCZKN-BBRMVZONSA-N 1 1 280.375 3.540 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000785997759 1130072255 /nfs/dbraw/zinc/07/22/55/1130072255.db2.gz RZBRCBSVQKUQQB-HNNXBMFYSA-N 1 1 283.371 3.642 20 30 CHEDMO C=CCC[N@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000786102412 1130078184 /nfs/dbraw/zinc/07/81/84/1130078184.db2.gz XKFNIIDHMSQQJT-UHFFFAOYSA-N 1 1 258.390 3.836 20 30 CHEDMO C=CCC[N@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000786101407 1130078284 /nfs/dbraw/zinc/07/82/84/1130078284.db2.gz FTQLPQJCXOLGPC-UHFFFAOYSA-N 1 1 293.773 3.808 20 30 CHEDMO C=CCC[N@@H+](C)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000786103023 1130078919 /nfs/dbraw/zinc/07/89/19/1130078919.db2.gz ZOGNFDYORNIPMK-UHFFFAOYSA-N 1 1 287.432 3.782 20 30 CHEDMO C=CCC[N@H+](C)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000786103023 1130078925 /nfs/dbraw/zinc/07/89/25/1130078925.db2.gz ZOGNFDYORNIPMK-UHFFFAOYSA-N 1 1 287.432 3.782 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1cc(C#N)ccn1 ZINC000902999516 1130098297 /nfs/dbraw/zinc/09/82/97/1130098297.db2.gz PURMBKOTMGOMIP-GFCCVEGCSA-N 1 1 295.361 3.821 20 30 CHEDMO COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035382 1130102924 /nfs/dbraw/zinc/10/29/24/1130102924.db2.gz NSHKRIFSGWKJQF-NSHDSACASA-N 1 1 278.783 3.693 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1nccc2ccccc21 ZINC000903034711 1130102937 /nfs/dbraw/zinc/10/29/37/1130102937.db2.gz BJFNZFAIQVSBMJ-ZDUSSCGKSA-N 1 1 265.360 3.579 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1cscn1)c1cccc(C#N)c1 ZINC000903048493 1130105332 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ZINC000796691011 1130132216 /nfs/dbraw/zinc/13/22/16/1130132216.db2.gz CMARUTZBUSHNNI-AWEZNQCLSA-N 1 1 265.401 3.875 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1F ZINC000746654466 1130135240 /nfs/dbraw/zinc/13/52/40/1130135240.db2.gz ODISQSCUQNKJFW-UHFFFAOYSA-N 1 1 278.371 3.596 20 30 CHEDMO C=C(Cl)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000746658393 1130136653 /nfs/dbraw/zinc/13/66/53/1130136653.db2.gz IZKOYFZUGAHKOL-UHFFFAOYSA-N 1 1 262.784 3.769 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)C1CC1 ZINC000787274279 1130144695 /nfs/dbraw/zinc/14/46/95/1130144695.db2.gz FLKRELRAJCCYNY-UHFFFAOYSA-N 1 1 290.716 3.904 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)C1CC1 ZINC000787274279 1130144698 /nfs/dbraw/zinc/14/46/98/1130144698.db2.gz FLKRELRAJCCYNY-UHFFFAOYSA-N 1 1 290.716 3.904 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000787308779 1130146354 /nfs/dbraw/zinc/14/63/54/1130146354.db2.gz GEVNMIZCABDELK-GOEBONIOSA-N 1 1 270.376 3.518 20 30 CHEDMO C=CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000787406390 1130150102 /nfs/dbraw/zinc/15/01/02/1130150102.db2.gz JVNMSKMBFHNIGT-UVTDQMKNSA-N 1 1 274.364 3.895 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCCc1ccc(F)c(F)c1 ZINC001462161685 1130210043 /nfs/dbraw/zinc/21/00/43/1130210043.db2.gz IQXSVBFWUFZREK-CQSZACIVSA-N 1 1 265.347 3.938 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](C)c1ccc(OC)cc1 ZINC001170094084 1130220963 /nfs/dbraw/zinc/22/09/63/1130220963.db2.gz FTHCZNLFCGVUOO-KRWDZBQOSA-N 1 1 293.410 3.934 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)CC)cc1 ZINC001170094825 1130223634 /nfs/dbraw/zinc/22/36/34/1130223634.db2.gz KEOYIVAWLMHBAV-UHFFFAOYSA-N 1 1 292.426 3.778 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(C)C)cc2)n1 ZINC000789332296 1130245239 /nfs/dbraw/zinc/24/52/39/1130245239.db2.gz PXVSSJUIJQNWDL-UHFFFAOYSA-N 1 1 295.430 3.662 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(C)C)cc2)n1 ZINC000789332296 1130245244 /nfs/dbraw/zinc/24/52/44/1130245244.db2.gz PXVSSJUIJQNWDL-UHFFFAOYSA-N 1 1 295.430 3.662 20 30 CHEDMO Cc1cnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001240384879 1130284902 /nfs/dbraw/zinc/28/49/02/1130284902.db2.gz HPOQAUUMVCFPTJ-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO CC[C@H](C)NN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000790183957 1130294397 /nfs/dbraw/zinc/29/43/97/1130294397.db2.gz PWMURLAMUCDNDC-CGTJXYLNSA-N 1 1 299.462 3.663 20 30 CHEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000826877128 1130305201 /nfs/dbraw/zinc/30/52/01/1130305201.db2.gz AAUPAGIYKUNZSG-SJORKVTESA-N 1 1 296.499 3.831 20 30 CHEDMO C[C@H](C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C(C)(C)C ZINC000826881880 1130305921 /nfs/dbraw/zinc/30/59/21/1130305921.db2.gz GADDTGGPMPBLAZ-QAPCUYQASA-N 1 1 285.435 3.621 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000826947669 1130316989 /nfs/dbraw/zinc/31/69/89/1130316989.db2.gz ROMNOEOYDYIHOH-AWEZNQCLSA-N 1 1 275.392 3.579 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000678126043 1130354304 /nfs/dbraw/zinc/35/43/04/1130354304.db2.gz DODRNKPTZXCYBY-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO C=CC[N@H+](Cc1[nH]nc2ccccc21)Cc1ccccc1 ZINC000678153890 1130361003 /nfs/dbraw/zinc/36/10/03/1130361003.db2.gz IREMNHMVLUOSBX-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO C=CC[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccccc1 ZINC000678153890 1130361008 /nfs/dbraw/zinc/36/10/08/1130361008.db2.gz IREMNHMVLUOSBX-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000678239626 1130378344 /nfs/dbraw/zinc/37/83/44/1130378344.db2.gz KPYSDJVGDRKOOS-KRWDZBQOSA-N 1 1 257.377 3.626 20 30 CHEDMO CCCCCCCCC[N@H+](C)Cc1nccc(C)n1 ZINC000756487635 1130425768 /nfs/dbraw/zinc/42/57/68/1130425768.db2.gz UXECKQSLHKCATE-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1nccc(C)n1 ZINC000756487635 1130425772 /nfs/dbraw/zinc/42/57/72/1130425772.db2.gz UXECKQSLHKCATE-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO CCCCCCCCCN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000792297098 1130444092 /nfs/dbraw/zinc/44/40/92/1130444092.db2.gz HTULYDQTLDCLBQ-KRWDZBQOSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCCC[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000792297098 1130444096 /nfs/dbraw/zinc/44/40/96/1130444096.db2.gz HTULYDQTLDCLBQ-KRWDZBQOSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000792297098 1130444098 /nfs/dbraw/zinc/44/40/98/1130444098.db2.gz HTULYDQTLDCLBQ-KRWDZBQOSA-N 1 1 298.515 3.514 20 30 CHEDMO N#Cc1ccc(CNc2[nH+]cccc2C2CCOCC2)s1 ZINC001170200010 1130462303 /nfs/dbraw/zinc/46/23/03/1130462303.db2.gz QUPIFGQFDLDNPY-UHFFFAOYSA-N 1 1 299.399 3.521 20 30 CHEDMO CC[C@H]1COCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395762 1130488327 /nfs/dbraw/zinc/48/83/27/1130488327.db2.gz PFBKEADBLZFDTO-VIQWUECVSA-N 1 1 298.430 3.501 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001255155315 1130493294 /nfs/dbraw/zinc/49/32/94/1130493294.db2.gz PAVZXWUQVKSQPO-ZDUSSCGKSA-N 1 1 282.309 3.976 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC001255156676 1130500422 /nfs/dbraw/zinc/50/04/22/1130500422.db2.gz MREWJEIWXVKFDQ-ZDUSSCGKSA-N 1 1 293.208 3.720 20 30 CHEDMO Cc1ccccc1[C@@H](C)[N@H+](CCO[C@@H](C)C#N)CC(C)C ZINC000792923186 1130507843 /nfs/dbraw/zinc/50/78/43/1130507843.db2.gz BJWKQTUVNOTMIG-DLBZAZTESA-N 1 1 288.435 3.943 20 30 CHEDMO Cc1cc(C(F)(F)F)cc(NCC#Cc2ccccc2)[nH+]1 ZINC001170423749 1130509436 /nfs/dbraw/zinc/50/94/36/1130509436.db2.gz FYNWVTNCIYNUJI-UHFFFAOYSA-N 1 1 290.288 3.872 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CCOc2ccccc21 ZINC000679364734 1130523231 /nfs/dbraw/zinc/52/32/31/1130523231.db2.gz LQKFXOCJDAXRTK-INIZCTEOSA-N 1 1 297.398 3.876 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001255162977 1130524518 /nfs/dbraw/zinc/52/45/18/1130524518.db2.gz AMDIAZQRQAIUJK-IAQYHMDHSA-N 1 1 264.319 3.624 20 30 CHEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccccc2C)CC1 ZINC001255164227 1130531550 /nfs/dbraw/zinc/53/15/50/1130531550.db2.gz IRXQJAROIMIPHN-HNNXBMFYSA-N 1 1 272.392 3.531 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000827271130 1130534542 /nfs/dbraw/zinc/53/45/42/1130534542.db2.gz JNKYIGGAPXQVMZ-CABCVRRESA-N 1 1 290.382 3.549 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000793388653 1130552208 /nfs/dbraw/zinc/55/22/08/1130552208.db2.gz HLVIWRIKRYAMRV-OAHLLOKOSA-N 1 1 298.430 3.990 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000793498012 1130564525 /nfs/dbraw/zinc/56/45/25/1130564525.db2.gz NTUJBANTTBJYPF-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000793498012 1130564530 /nfs/dbraw/zinc/56/45/30/1130564530.db2.gz NTUJBANTTBJYPF-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000747681064 1130591485 /nfs/dbraw/zinc/59/14/85/1130591485.db2.gz GLVZLSNEHPDPLC-AWEZNQCLSA-N 1 1 290.838 3.655 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1OC(F)F ZINC000811495963 1130613227 /nfs/dbraw/zinc/61/32/27/1130613227.db2.gz NHEZQELITFQUKD-KXXVWKPMSA-N 1 1 279.330 3.645 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811474579 1130614141 /nfs/dbraw/zinc/61/41/41/1130614141.db2.gz MNDYBNKCNWHGHJ-UHFFFAOYSA-N 1 1 292.169 3.550 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000811516651 1130615057 /nfs/dbraw/zinc/61/50/57/1130615057.db2.gz QRUWFFZOLLGVFN-SFHVURJKSA-N 1 1 298.817 3.870 20 30 CHEDMO C=CCCCCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811529382 1130615159 /nfs/dbraw/zinc/61/51/59/1130615159.db2.gz NDPOOHFDGFWCDY-IRXDYDNUSA-N 1 1 294.483 3.750 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000811517039 1130615902 /nfs/dbraw/zinc/61/59/02/1130615902.db2.gz GEDUEAPNPMNVTE-MRXNPFEDSA-N 1 1 255.748 3.804 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000811513553 1130619614 /nfs/dbraw/zinc/61/96/14/1130619614.db2.gz KBUWGQKDVJKYBL-LJQANCHMSA-N 1 1 295.426 3.853 20 30 CHEDMO CC(=NOC/C=C/Cl)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000811669574 1130632937 /nfs/dbraw/zinc/63/29/37/1130632937.db2.gz GMUZXUBDFDLRIT-CURAXGSESA-N 1 1 289.766 3.674 20 30 CHEDMO C[C@@H]1CC(=NOC/C=C\Cl)CC[N@H+]1Cc1ccccc1 ZINC000811671132 1130634885 /nfs/dbraw/zinc/63/48/85/1130634885.db2.gz AIJBSZGNXOEFOD-DAZGDNQKSA-N 1 1 292.810 3.796 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1[nH]c(C)nc1C ZINC001234626022 1130663290 /nfs/dbraw/zinc/66/32/90/1130663290.db2.gz AUAAFHSHKKOKLO-UHFFFAOYSA-N 1 1 251.418 3.819 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001234857743 1130684439 /nfs/dbraw/zinc/68/44/39/1130684439.db2.gz YRUVZMFIINRNRO-INIZCTEOSA-N 1 1 286.419 3.933 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000812792956 1130716673 /nfs/dbraw/zinc/71/66/73/1130716673.db2.gz LRLPMQMTNRPNHZ-SFHVURJKSA-N 1 1 267.347 3.907 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(CC)s1)c1ccc(F)cc1 ZINC000812794297 1130716983 /nfs/dbraw/zinc/71/69/83/1130716983.db2.gz YFOCYDSWNIVKHM-INIZCTEOSA-N 1 1 273.376 3.914 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(CC)cc1)c1ccc(F)cc1 ZINC000812794689 1130717284 /nfs/dbraw/zinc/71/72/84/1130717284.db2.gz AZTMMQBDQQIDLK-SFHVURJKSA-N 1 1 267.347 3.852 20 30 CHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849231 1130722740 /nfs/dbraw/zinc/72/27/40/1130722740.db2.gz MMNPLUKYMKQMBC-HNAYVOBHSA-N 1 1 294.398 3.502 20 30 CHEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001235529578 1130752057 /nfs/dbraw/zinc/75/20/57/1130752057.db2.gz NKGIWGWFKAFELA-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO Cc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001235529981 1130752941 /nfs/dbraw/zinc/75/29/41/1130752941.db2.gz OPVVWVFJGYJDPV-DVSIDAKKSA-N 1 1 274.795 3.915 20 30 CHEDMO N#Cc1cc(F)c(C[NH+]2CCC3(CCCC3)CC2)c(F)c1 ZINC001235652165 1130761902 /nfs/dbraw/zinc/76/19/02/1130761902.db2.gz SULDMAGLDHWBOA-UHFFFAOYSA-N 1 1 290.357 3.993 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1N ZINC001235702441 1130770394 /nfs/dbraw/zinc/77/03/94/1130770394.db2.gz KLSGEJJBFXSWCJ-UHFFFAOYSA-N 1 1 296.414 3.856 20 30 CHEDMO N#Cc1cc(-c2cccc(C3=[NH+]CCC3)c2)ccc1F ZINC001235897622 1130796918 /nfs/dbraw/zinc/79/69/18/1130796918.db2.gz FFMHFRAHMVLMFP-UHFFFAOYSA-N 1 1 264.303 3.947 20 30 CHEDMO Clc1cccc(N2CCCC2)c1C=[NH+]OCC1CC1 ZINC000814245029 1130852618 /nfs/dbraw/zinc/85/26/18/1130852618.db2.gz QFDPQOJITBSGMQ-UHFFFAOYSA-N 1 1 278.783 3.701 20 30 CHEDMO C=C(C)C(C)(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001134221218 1130858180 /nfs/dbraw/zinc/85/81/80/1130858180.db2.gz OMKSMYQVSSKNNX-UHFFFAOYSA-N 1 1 287.407 3.613 20 30 CHEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(CC#N)cc1 ZINC000784156068 1130885984 /nfs/dbraw/zinc/88/59/84/1130885984.db2.gz BTUHIGSOTCSZCU-UHFFFAOYSA-N 1 1 282.362 3.566 20 30 CHEDMO CCC(=[NH+]Nc1ccc(F)cc1)c1cccc(N)c1 ZINC000814693445 1130901679 /nfs/dbraw/zinc/90/16/79/1130901679.db2.gz PXYBWICVSKVCQU-UHFFFAOYSA-N 1 1 257.312 3.634 20 30 CHEDMO CC(=[NH+]Nc1ccc(F)cc1)c1ccc(Cl)c(N)c1 ZINC000814693295 1130901775 /nfs/dbraw/zinc/90/17/75/1130901775.db2.gz HVOBTPMXRMBDEN-UHFFFAOYSA-N 1 1 277.730 3.897 20 30 CHEDMO CC#CC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484144 1130906752 /nfs/dbraw/zinc/90/67/52/1130906752.db2.gz XMHKJSRCNQQFAF-CYBMUJFWSA-N 1 1 267.294 3.518 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1ncc(CC)s1)c1ccccc1 ZINC000784586915 1130912371 /nfs/dbraw/zinc/91/23/71/1130912371.db2.gz BBRWWTZLJSWEDJ-HNNXBMFYSA-N 1 1 270.401 3.560 20 30 CHEDMO CCC(=[NH+]Nc1ccc(F)cc1C)c1cccc(N)c1 ZINC000814885007 1130929568 /nfs/dbraw/zinc/92/95/68/1130929568.db2.gz IQGXOIZUJJXNMQ-UHFFFAOYSA-N 1 1 271.339 3.943 20 30 CHEDMO C=C/C(=N\COC)C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001236470682 1130948643 /nfs/dbraw/zinc/94/86/43/1130948643.db2.gz KOWGQHVGUIRSQM-XNYADMQMSA-N 1 1 296.414 3.581 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3C=CCCCCC3)CCO2)c1 ZINC000815078027 1130956541 /nfs/dbraw/zinc/95/65/41/1130956541.db2.gz LSPWFRVVXYGFIM-MOPGFXCFSA-N 1 1 296.414 3.820 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@H+]([C@@H]3C=CCCCCC3)CCO2)c1 ZINC000815078027 1130956544 /nfs/dbraw/zinc/95/65/44/1130956544.db2.gz LSPWFRVVXYGFIM-MOPGFXCFSA-N 1 1 296.414 3.820 20 30 CHEDMO C=CCCCCCC[N@H+](C1CCC1)C1CCNCC1 ZINC001236632999 1130986771 /nfs/dbraw/zinc/98/67/71/1130986771.db2.gz DYRMARDZSZGMAW-UHFFFAOYSA-N 1 1 264.457 3.729 20 30 CHEDMO C=CCCCCCC[N@@H+](C1CCC1)C1CCNCC1 ZINC001236632999 1130986774 /nfs/dbraw/zinc/98/67/74/1130986774.db2.gz DYRMARDZSZGMAW-UHFFFAOYSA-N 1 1 264.457 3.729 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(Cl)cc(C)n1 ZINC001236646597 1130988311 /nfs/dbraw/zinc/98/83/11/1130988311.db2.gz JWXKZGUIMRRLFA-UHFFFAOYSA-N 1 1 252.789 3.832 20 30 CHEDMO C#CC1CC[NH+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236659587 1130990123 /nfs/dbraw/zinc/99/01/23/1130990123.db2.gz QFPYMUKZSNPZTG-UHFFFAOYSA-N 1 1 286.177 3.978 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000797873887 1131011277 /nfs/dbraw/zinc/01/12/77/1131011277.db2.gz YGZLPJPSDSQDFN-UHFFFAOYSA-N 1 1 287.794 3.692 20 30 CHEDMO C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)c1cccc(C#N)c1 ZINC000815650262 1131017398 /nfs/dbraw/zinc/01/73/98/1131017398.db2.gz NATNKDAKIYYQMQ-SNVBAGLBSA-N 1 1 290.288 3.826 20 30 CHEDMO Cc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001236853486 1131023573 /nfs/dbraw/zinc/02/35/73/1131023573.db2.gz MBCQOIGEJRQMNX-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3sccc3nc2Cl)C1 ZINC001236863038 1131025539 /nfs/dbraw/zinc/02/55/39/1131025539.db2.gz CDCPQBRTMWIFQR-LLVKDONJSA-N 1 1 290.819 3.795 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3sccc3nc2Cl)C1 ZINC001236863038 1131025541 /nfs/dbraw/zinc/02/55/41/1131025541.db2.gz CDCPQBRTMWIFQR-LLVKDONJSA-N 1 1 290.819 3.795 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(C#N)c(Br)c1 ZINC001236859455 1131025902 /nfs/dbraw/zinc/02/59/02/1131025902.db2.gz CGMJBRBRCYCFQJ-UHFFFAOYSA-N 1 1 293.208 3.719 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc(-n2cncn2)c1 ZINC001236885644 1131027174 /nfs/dbraw/zinc/02/71/74/1131027174.db2.gz SCVWNAOHLKFIRJ-UHFFFAOYSA-N 1 1 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CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC001171239489 1131717250 /nfs/dbraw/zinc/71/72/50/1131717250.db2.gz AMBKVFHFDMUCHV-GFCCVEGCSA-N 1 1 265.784 3.582 20 30 CHEDMO CCc1cccc(C)c1N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834975751 1131745812 /nfs/dbraw/zinc/74/58/12/1131745812.db2.gz DPRACCYYGOTVPV-UHFFFAOYSA-N 1 1 294.402 3.687 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000847031789 1131771964 /nfs/dbraw/zinc/77/19/64/1131771964.db2.gz UUBQCWZLPAVOPE-LBPRGKRZSA-N 1 1 288.441 3.717 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000847031789 1131771967 /nfs/dbraw/zinc/77/19/67/1131771967.db2.gz UUBQCWZLPAVOPE-LBPRGKRZSA-N 1 1 288.441 3.717 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC001140545828 1131787161 /nfs/dbraw/zinc/78/71/61/1131787161.db2.gz MJDFYVJHYWBCTC-GOSISDBHSA-N 1 1 291.398 3.723 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(C#N)nc1)C1CCCCCCC1 ZINC001140542769 1131787202 /nfs/dbraw/zinc/78/72/02/1131787202.db2.gz HQNPVPHNWJQTHU-UHFFFAOYSA-N 1 1 296.418 3.782 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(C#N)nc1)C1CCCCCCC1 ZINC001140542769 1131787208 /nfs/dbraw/zinc/78/72/08/1131787208.db2.gz HQNPVPHNWJQTHU-UHFFFAOYSA-N 1 1 296.418 3.782 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1ccc(C)c(C)c1 ZINC001140546744 1131788635 /nfs/dbraw/zinc/78/86/35/1131788635.db2.gz SLEVYBOUCMZVOO-UHFFFAOYSA-N 1 1 279.387 3.592 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001140562912 1131794364 /nfs/dbraw/zinc/79/43/64/1131794364.db2.gz KWRPVOVKFGKTOX-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC001140562912 1131794371 /nfs/dbraw/zinc/79/43/71/1131794371.db2.gz KWRPVOVKFGKTOX-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140566835 1131796953 /nfs/dbraw/zinc/79/69/53/1131796953.db2.gz SVLALESHAYDUGP-UHFFFAOYSA-N 1 1 263.690 3.977 20 30 CHEDMO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)cc1C#N ZINC001228147539 1131817683 /nfs/dbraw/zinc/81/76/83/1131817683.db2.gz OMSAIBGAYINJKW-PIIMJCKOSA-N 1 1 298.430 3.958 20 30 CHEDMO C[N@H+](Cc1cc(C#N)ccc1Cl)CC1CC(F)(F)C1 ZINC001140602712 1131823271 /nfs/dbraw/zinc/82/32/71/1131823271.db2.gz OHMOQCQNBFMGGK-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140603066 1131823781 /nfs/dbraw/zinc/82/37/81/1131823781.db2.gz YUAMRZXSISHCOF-LBPRGKRZSA-N 1 1 262.784 3.834 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2ccncc21 ZINC001140648587 1131844443 /nfs/dbraw/zinc/84/44/43/1131844443.db2.gz GMCDTTHDWSEPAG-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccccc1CC(=O)OC ZINC001140653592 1131848326 /nfs/dbraw/zinc/84/83/26/1131848326.db2.gz UCRIRLZMFRDIKM-UHFFFAOYSA-N 1 1 291.435 3.804 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(C)c(O)c(C)c1 ZINC001140658660 1131853560 /nfs/dbraw/zinc/85/35/60/1131853560.db2.gz MPBTYKYIOLGCON-UHFFFAOYSA-N 1 1 260.381 3.525 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(C)c(O)c(C)c1 ZINC001140658660 1131853568 /nfs/dbraw/zinc/85/35/68/1131853568.db2.gz MPBTYKYIOLGCON-UHFFFAOYSA-N 1 1 260.381 3.525 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1c(C)noc1C ZINC000348142732 1131893426 /nfs/dbraw/zinc/89/34/26/1131893426.db2.gz ZFXAXXKCICTCIB-CQSZACIVSA-N 1 1 287.338 3.543 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140745834 1131905465 /nfs/dbraw/zinc/90/54/65/1131905465.db2.gz NYNZCWZKEPNQAK-UHFFFAOYSA-N 1 1 265.397 3.808 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1F ZINC001140755214 1131907756 /nfs/dbraw/zinc/90/77/56/1131907756.db2.gz VMNIDPGIPFREBG-WBMJQRKESA-N 1 1 276.330 3.601 20 30 CHEDMO CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC(C)C ZINC001140756271 1131908543 /nfs/dbraw/zinc/90/85/43/1131908543.db2.gz JABKGYIQFDOAAH-UHFFFAOYSA-N 1 1 266.335 3.704 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC3(CCC3)C2)c1Cl ZINC001140810001 1131931707 /nfs/dbraw/zinc/93/17/07/1131931707.db2.gz QIRWSJHEKDMRHL-UHFFFAOYSA-N 1 1 260.768 3.588 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1Cl ZINC001140810683 1131932285 /nfs/dbraw/zinc/93/22/85/1131932285.db2.gz CEABWWXMAQJCRP-OCCSQVGLSA-N 1 1 274.795 3.834 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1Cl ZINC001140811076 1131933111 /nfs/dbraw/zinc/93/31/11/1131933111.db2.gz KPZKPSRSBBGRGE-INIZCTEOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1Cl ZINC001140811076 1131933115 /nfs/dbraw/zinc/93/31/15/1131933115.db2.gz KPZKPSRSBBGRGE-INIZCTEOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[NH+]2CC3(C2)CCCCC3)c1Cl ZINC001140813173 1131934496 /nfs/dbraw/zinc/93/44/96/1131934496.db2.gz YDSNRKAERXTFKP-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171380247 1131939954 /nfs/dbraw/zinc/93/99/54/1131939954.db2.gz KTYIIHXKSMFMMB-OAHLLOKOSA-N 1 1 292.373 3.838 20 30 CHEDMO C#CC[N@@H+](Cc1c(N)cccc1F)[C@@H]1CCc2ccccc21 ZINC001140875421 1131954832 /nfs/dbraw/zinc/95/48/32/1131954832.db2.gz LWTJUAYMWSEEAW-LJQANCHMSA-N 1 1 294.373 3.531 20 30 CHEDMO C#CC[N@H+](Cc1c(N)cccc1F)[C@@H]1CCc2ccccc21 ZINC001140875421 1131954836 /nfs/dbraw/zinc/95/48/36/1131954836.db2.gz LWTJUAYMWSEEAW-LJQANCHMSA-N 1 1 294.373 3.531 20 30 CHEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001247623150 1131960568 /nfs/dbraw/zinc/96/05/68/1131960568.db2.gz YDXMGTXRHYFSOE-LBPRGKRZSA-N 1 1 277.755 3.664 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171442483 1132018637 /nfs/dbraw/zinc/01/86/37/1132018637.db2.gz PTFODQQUSGKPDF-QGZVFWFLSA-N 1 1 294.373 3.687 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113751 1132022612 /nfs/dbraw/zinc/02/26/12/1132022612.db2.gz QZQFWSDPQDEAOQ-VIFPVBQESA-N 1 1 283.828 3.620 20 30 CHEDMO CC(C)(C)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141164173 1132033398 /nfs/dbraw/zinc/03/33/98/1132033398.db2.gz NRPUCNPAWKRQRQ-UHFFFAOYSA-N 1 1 274.383 3.955 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495234 1132038334 /nfs/dbraw/zinc/03/83/34/1132038334.db2.gz ZDXPJJPNHXILCE-AWEZNQCLSA-N 1 1 265.347 3.720 20 30 CHEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001171975236 1132118047 /nfs/dbraw/zinc/11/80/47/1132118047.db2.gz WTZSOGGVPGPZGF-OCCSQVGLSA-N 1 1 296.336 3.872 20 30 CHEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001171975236 1132118050 /nfs/dbraw/zinc/11/80/50/1132118050.db2.gz WTZSOGGVPGPZGF-OCCSQVGLSA-N 1 1 296.336 3.872 20 30 CHEDMO CC[C@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984472 1132119090 /nfs/dbraw/zinc/11/90/90/1132119090.db2.gz WBCAAUVKLRZZIP-PKOBYXMFSA-N 1 1 299.462 3.711 20 30 CHEDMO C=CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984284 1132120269 /nfs/dbraw/zinc/12/02/69/1132120269.db2.gz UKQKJQILEWEATE-SFHVURJKSA-N 1 1 286.463 3.985 20 30 CHEDMO C=CCC1(C(=O)OCCCCn2cc[nH+]c2C)CCCC1 ZINC000838279703 1132125488 /nfs/dbraw/zinc/12/54/88/1132125488.db2.gz JLOLTRBQVDASAL-UHFFFAOYSA-N 1 1 290.407 3.651 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CSc2ccccc2C1 ZINC001172207731 1132140970 /nfs/dbraw/zinc/14/09/70/1132140970.db2.gz DGNIQGWSJZYQIA-KRWDZBQOSA-N 1 1 294.423 3.707 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CSc2ccccc2C1 ZINC001172207733 1132141638 /nfs/dbraw/zinc/14/16/38/1132141638.db2.gz DGNIQGWSJZYQIA-QGZVFWFLSA-N 1 1 294.423 3.707 20 30 CHEDMO CCCCCCCC[N@@H+](C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172239841 1132149624 /nfs/dbraw/zinc/14/96/24/1132149624.db2.gz DHAPKAULNDAFHE-MQVJKMGUSA-N 1 1 251.414 3.765 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001172306600 1132152274 /nfs/dbraw/zinc/15/22/74/1132152274.db2.gz AAVKJMWQFLHWQO-OAHLLOKOSA-N 1 1 264.372 3.621 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccs1 ZINC001172304817 1132153375 /nfs/dbraw/zinc/15/33/75/1132153375.db2.gz AGUQZJGJMJXFOE-ZDUSSCGKSA-N 1 1 270.401 3.683 20 30 CHEDMO CC(C)[N@@H+](CC1CC1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307211 1132153419 /nfs/dbraw/zinc/15/34/19/1132153419.db2.gz NBFVVAXQPKIZGD-CQSZACIVSA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001172317001 1132157502 /nfs/dbraw/zinc/15/75/02/1132157502.db2.gz ZVEKLOYCFCZUAH-BZUAXINKSA-N 1 1 270.420 3.857 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+]C(C)(C)C(=O)OC ZINC001172347442 1132180087 /nfs/dbraw/zinc/18/00/87/1132180087.db2.gz UWYMQVCFXVUWIW-CYBMUJFWSA-N 1 1 257.418 3.667 20 30 CHEDMO CC[C@@H](C)OCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172348519 1132182056 /nfs/dbraw/zinc/18/20/56/1132182056.db2.gz QIBGDHOLYAWBFP-LSDHHAIUSA-N 1 1 274.408 3.584 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001172355508 1132184345 /nfs/dbraw/zinc/18/43/45/1132184345.db2.gz BTTWDKLPVAZSJJ-XHSDSOJGSA-N 1 1 273.436 3.778 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001172357657 1132185303 /nfs/dbraw/zinc/18/53/03/1132185303.db2.gz LLWCFBNVINVYSB-RBSFLKMASA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCN2CC[C@@H]2C1 ZINC001172361924 1132189215 /nfs/dbraw/zinc/18/92/15/1132189215.db2.gz PCFLSDJBQCDOCK-JKSUJKDBSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCC[C@H](CC)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001172361924 1132189218 /nfs/dbraw/zinc/18/92/18/1132189218.db2.gz PCFLSDJBQCDOCK-JKSUJKDBSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCC[C@H](CC)N1CC[N@H+]2CC[C@@H]2C1 ZINC001172361924 1132189221 /nfs/dbraw/zinc/18/92/21/1132189221.db2.gz PCFLSDJBQCDOCK-JKSUJKDBSA-N 1 1 252.446 3.515 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000839580003 1132225938 /nfs/dbraw/zinc/22/59/38/1132225938.db2.gz DSSQAOZZHUSJKK-UHFFFAOYSA-N 1 1 294.398 3.512 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000839602291 1132225990 /nfs/dbraw/zinc/22/59/90/1132225990.db2.gz ZPGPJROPNRHFMU-LBPRGKRZSA-N 1 1 294.609 3.759 20 30 CHEDMO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172478133 1132228332 /nfs/dbraw/zinc/22/83/32/1132228332.db2.gz BUJJXFBNZJTQGR-HKUYNNGSSA-N 1 1 299.462 3.571 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000839669234 1132229107 /nfs/dbraw/zinc/22/91/07/1132229107.db2.gz DRFAZUSMZTXRQH-CYBMUJFWSA-N 1 1 287.831 3.573 20 30 CHEDMO C[N@@H+](Cn1ccc(=S)c2ccccc21)CC(C)(C)C#N ZINC000840078293 1132245167 /nfs/dbraw/zinc/24/51/67/1132245167.db2.gz PRKRVHQGYXSBJJ-UHFFFAOYSA-N 1 1 285.416 3.810 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCc2cccc(Cl)c2C1 ZINC001172497776 1132248463 /nfs/dbraw/zinc/24/84/63/1132248463.db2.gz FQZGQWBWJOLREC-GFCCVEGCSA-N 1 1 262.784 3.780 20 30 CHEDMO COc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CCCC#N ZINC001172501143 1132249858 /nfs/dbraw/zinc/24/98/58/1132249858.db2.gz PKIYDVPCEZRBLX-ZIAGYGMSSA-N 1 1 260.381 3.770 20 30 CHEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172500040 1132250620 /nfs/dbraw/zinc/25/06/20/1132250620.db2.gz JAFBTHFQGQDQPB-CVEARBPZSA-N 1 1 272.392 3.531 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001172505814 1132253775 /nfs/dbraw/zinc/25/37/75/1132253775.db2.gz VOKLJFYPUSCSRQ-BZSNNMDCSA-N 1 1 299.499 3.581 20 30 CHEDMO 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C=CCCCC[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001209207679 1133990274 /nfs/dbraw/zinc/99/02/74/1133990274.db2.gz BPBIGKJMOZYKEN-UHFFFAOYSA-N 1 1 298.474 3.941 20 30 CHEDMO N#CCC[N@H+](CCc1ccc(F)c(F)c1)C1CCCC1 ZINC001209244721 1133995434 /nfs/dbraw/zinc/99/54/34/1133995434.db2.gz UBFMWJNJRICIKS-UHFFFAOYSA-N 1 1 278.346 3.666 20 30 CHEDMO C#CCCC[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001209266999 1134000353 /nfs/dbraw/zinc/00/03/53/1134000353.db2.gz HKEYTGOAHLGQGY-SLFFLAALSA-N 1 1 295.426 3.597 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209282678 1134001442 /nfs/dbraw/zinc/00/14/42/1134001442.db2.gz FWOAYQNUXGIREG-ZDUSSCGKSA-N 1 1 296.336 3.874 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001209423307 1134014285 /nfs/dbraw/zinc/01/42/85/1134014285.db2.gz MQCYUKJYBJAPCC-UHFFFAOYSA-N 1 1 275.392 3.636 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209423206 1134014556 /nfs/dbraw/zinc/01/45/56/1134014556.db2.gz 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UMXRMBZOKHISKL-UHFFFAOYSA-N 1 1 272.348 3.567 20 30 CHEDMO Cc1csc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209841431 1134078985 /nfs/dbraw/zinc/07/89/85/1134078985.db2.gz OHPYFJPCWMDXSA-UHFFFAOYSA-N 1 1 254.318 3.548 20 30 CHEDMO N#Cc1c(Cl)cccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848878 1134084065 /nfs/dbraw/zinc/08/40/65/1134084065.db2.gz PDIGFROBHVRTLZ-UHFFFAOYSA-N 1 1 268.707 3.832 20 30 CHEDMO CC1(C)CC(=O)C=C(Nc2cccc3cc[nH+]cc32)C1 ZINC001210152986 1134157502 /nfs/dbraw/zinc/15/75/02/1134157502.db2.gz HFLJXMSVOUSEQD-UHFFFAOYSA-N 1 1 266.344 3.920 20 30 CHEDMO CC(C)(CC[N@@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000406077614 1134990126 /nfs/dbraw/zinc/99/01/26/1134990126.db2.gz RTHLJPUBUNNXML-UHFFFAOYSA-N 1 1 254.377 3.700 20 30 CHEDMO CC(C)(CC[N@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000406077614 1134990133 /nfs/dbraw/zinc/99/01/33/1134990133.db2.gz RTHLJPUBUNNXML-UHFFFAOYSA-N 1 1 254.377 3.700 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccc(C(=O)C[NH3+])cc2)C1 ZINC001218216884 1135070896 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C=CCCCO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224511198 1135455447 /nfs/dbraw/zinc/45/54/47/1135455447.db2.gz LXIQCRCKNWJCOR-INIZCTEOSA-N 1 1 277.383 3.773 20 30 CHEDMO C#C[C@@H](CCC)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224825150 1135486132 /nfs/dbraw/zinc/48/61/32/1135486132.db2.gz IAZBRSGLSNQHMW-MOPGFXCFSA-N 1 1 285.431 3.717 20 30 CHEDMO C#CC[C@@H](CC)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224827395 1135487271 /nfs/dbraw/zinc/48/72/71/1135487271.db2.gz UXVLBVBECVMHPB-RTBURBONSA-N 1 1 285.431 3.717 20 30 CHEDMO C#C[C@H](OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001224827939 1135487439 /nfs/dbraw/zinc/48/74/39/1135487439.db2.gz YXUYJZQPWFKHPA-MOPGFXCFSA-N 1 1 285.431 3.573 20 30 CHEDMO C[N@H+]1CCC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001226584354 1135716090 /nfs/dbraw/zinc/71/60/90/1135716090.db2.gz GQUFPZVMLRCGMX-LLVKDONJSA-N 1 1 299.201 3.728 20 30 CHEDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001226923776 1135762230 /nfs/dbraw/zinc/76/22/30/1135762230.db2.gz ZSVFARZFJQFMGP-QGZVFWFLSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc2cccc(F)c2o1 ZINC000573417798 334936196 /nfs/dbraw/zinc/93/61/96/334936196.db2.gz GJDAPOLCRVJCDP-NEPJUHHUSA-N 1 1 285.322 3.666 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)C1CCC(F)(F)CC1 ZINC000336622373 529976187 /nfs/dbraw/zinc/97/61/87/529976187.db2.gz ARKHRNYPJCRWFP-UHFFFAOYSA-N 1 1 270.348 3.629 20 30 CHEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(F)c1 ZINC000573807512 334968039 /nfs/dbraw/zinc/96/80/39/334968039.db2.gz AAKMNYZRFLFQEI-SFHVURJKSA-N 1 1 298.361 3.969 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1CCC(C)CC1 ZINC000347317713 533494421 /nfs/dbraw/zinc/49/44/21/533494421.db2.gz VOAWWXJELQZMAL-UHFFFAOYSA-N 1 1 272.392 3.577 20 30 CHEDMO CCC[N@@H+](CCCOC(C)C)Cc1ccc(C#N)cc1 ZINC000171499007 335067405 /nfs/dbraw/zinc/06/74/05/335067405.db2.gz JODPJZBKBOTAPR-UHFFFAOYSA-N 1 1 274.408 3.585 20 30 CHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000347485181 226181953 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N#CC1(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000336490363 227061351 /nfs/dbraw/zinc/06/13/51/227061351.db2.gz YEVBVDDSXQRUIE-KRWDZBQOSA-N 1 1 279.387 3.999 20 30 CHEDMO O=C(Nc1ccc2c[nH]nc2c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000330129677 228045449 /nfs/dbraw/zinc/04/54/49/228045449.db2.gz KDNCGAGRHVYXFU-MRXNPFEDSA-N 1 1 298.390 3.558 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)o1 ZINC000353640289 228136853 /nfs/dbraw/zinc/13/68/53/228136853.db2.gz CCCAHDGLTPDTHD-HNNXBMFYSA-N 1 1 266.344 3.531 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356140167 228137439 /nfs/dbraw/zinc/13/74/39/228137439.db2.gz SZUQZOZHMBGOEH-KBPBESRZSA-N 1 1 297.427 3.701 20 30 CHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356140177 228137856 /nfs/dbraw/zinc/13/78/56/228137856.db2.gz SZUQZOZHMBGOEH-ZIAGYGMSSA-N 1 1 297.427 3.701 20 30 CHEDMO C[C@@]12CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]1C2(F)F ZINC000298277077 260149301 /nfs/dbraw/zinc/14/93/01/260149301.db2.gz OEULHMCHUNHKNZ-LSDHHAIUSA-N 1 1 295.760 3.669 20 30 CHEDMO C[C@@]12CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]1C2(F)F ZINC000298277077 260149303 /nfs/dbraw/zinc/14/93/03/260149303.db2.gz OEULHMCHUNHKNZ-LSDHHAIUSA-N 1 1 295.760 3.669 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000080260935 260178888 /nfs/dbraw/zinc/17/88/88/260178888.db2.gz BOSALRNPTSPXRJ-FZMZJTMJSA-N 1 1 271.389 3.817 20 30 CHEDMO Cc1csc([C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000086038567 260206422 /nfs/dbraw/zinc/20/64/22/260206422.db2.gz VILZPXMFKLTVEV-KTAKPFMOSA-N 1 1 297.427 3.726 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1ccc(Br)s1 ZINC000057642214 260225359 /nfs/dbraw/zinc/22/53/59/260225359.db2.gz LQZVJQVKFFBUPV-UHFFFAOYSA-N 1 1 287.226 3.636 20 30 CHEDMO CCC(CC)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000518274427 260365802 /nfs/dbraw/zinc/36/58/02/260365802.db2.gz DOYPGCYCRMWCQR-UHFFFAOYSA-N 1 1 278.440 3.740 20 30 CHEDMO C=C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000427022978 260549591 /nfs/dbraw/zinc/54/95/91/260549591.db2.gz YUUNUDDBVYLSRT-UHFFFAOYSA-N 1 1 279.305 3.709 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448270204 261076497 /nfs/dbraw/zinc/07/64/97/261076497.db2.gz DFGNOBAGIFJQDI-BDXSIMOUSA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448270204 261076499 /nfs/dbraw/zinc/07/64/99/261076499.db2.gz DFGNOBAGIFJQDI-BDXSIMOUSA-N 1 1 290.451 3.740 20 30 CHEDMO C=CC[C@H]1[N@H+](CCO[C@@H]2CCCCO2)CCCC1(C)C ZINC000444783971 261178636 /nfs/dbraw/zinc/17/86/36/261178636.db2.gz MGFORZCDLYULLM-HZPDHXFCSA-N 1 1 281.440 3.596 20 30 CHEDMO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103140762 261274404 /nfs/dbraw/zinc/27/44/04/261274404.db2.gz ZNGWJENFOFKQIK-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103140762 261274405 /nfs/dbraw/zinc/27/44/05/261274405.db2.gz ZNGWJENFOFKQIK-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO CCC[N@@H+](Cc1c(C)onc1CC)Cc1ccc(C#N)cc1 ZINC000162863963 261297415 /nfs/dbraw/zinc/29/74/15/261297415.db2.gz DAOPVGUDXCDLTD-UHFFFAOYSA-N 1 1 297.402 3.829 20 30 CHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162936704 261299824 /nfs/dbraw/zinc/29/98/24/261299824.db2.gz FLMHYJCBYLYFJM-NSHDSACASA-N 1 1 282.840 3.785 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000302735352 261354867 /nfs/dbraw/zinc/35/48/67/261354867.db2.gz GQXWHMAGDYKJJI-AWEZNQCLSA-N 1 1 250.345 3.751 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000174815241 261583725 /nfs/dbraw/zinc/58/37/25/261583725.db2.gz YYFWAGNANXHPQN-MRXNPFEDSA-N 1 1 256.393 3.936 20 30 CHEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCC#N ZINC000184265444 262014394 /nfs/dbraw/zinc/01/43/94/262014394.db2.gz MUUDBWOFWNRPIV-LLVKDONJSA-N 1 1 259.378 3.593 20 30 CHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCC#N ZINC000184265444 262014396 /nfs/dbraw/zinc/01/43/96/262014396.db2.gz MUUDBWOFWNRPIV-LLVKDONJSA-N 1 1 259.378 3.593 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000497197205 262099913 /nfs/dbraw/zinc/09/99/13/262099913.db2.gz DQAWPIZLJZCNIW-UHFFFAOYSA-N 1 1 286.331 3.863 20 30 CHEDMO COc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000120096559 262180424 /nfs/dbraw/zinc/18/04/24/262180424.db2.gz ALRYXVWKRSZFSY-LBPRGKRZSA-N 1 1 284.334 3.557 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000525785699 262235502 /nfs/dbraw/zinc/23/55/02/262235502.db2.gz HRUXUVPREWLELR-OAHLLOKOSA-N 1 1 260.356 3.708 20 30 CHEDMO C=CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000111260420 262258703 /nfs/dbraw/zinc/25/87/03/262258703.db2.gz SQNYSOVUMHZPQV-UHFFFAOYSA-N 1 1 274.389 3.801 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)cc1 ZINC000365440196 262365411 /nfs/dbraw/zinc/36/54/11/262365411.db2.gz AHBGDHOJLRZZKC-GJZGRUSLSA-N 1 1 284.403 3.742 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000027539724 262366601 /nfs/dbraw/zinc/36/66/01/262366601.db2.gz BBVNBTBGPPVBOV-HXUWFJFHSA-N 1 1 299.377 3.832 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000338347451 262524865 /nfs/dbraw/zinc/52/48/65/262524865.db2.gz JAVPLQLFNZCHIH-NSHDSACASA-N 1 1 293.208 3.573 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000338347451 262524869 /nfs/dbraw/zinc/52/48/69/262524869.db2.gz JAVPLQLFNZCHIH-NSHDSACASA-N 1 1 293.208 3.573 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000339009371 262581453 /nfs/dbraw/zinc/58/14/53/262581453.db2.gz BFAIWRMUODBZRE-ZFWWWQNUSA-N 1 1 263.381 3.564 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1 ZINC000339030158 262585301 /nfs/dbraw/zinc/58/53/01/262585301.db2.gz TVEVDUITUNYXDX-BPLDGKMQSA-N 1 1 283.400 3.514 20 30 CHEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411423315 262693580 /nfs/dbraw/zinc/69/35/80/262693580.db2.gz OODAXDCHJCQEKB-HNNXBMFYSA-N 1 1 271.408 3.939 20 30 CHEDMO N#CC1(CC[N@H+]2CCC[C@@H](OCC3CC3)C2)CCCCC1 ZINC000411571412 262699140 /nfs/dbraw/zinc/69/91/40/262699140.db2.gz PHVOCBWOSQLXPX-QGZVFWFLSA-N 1 1 290.451 3.742 20 30 CHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000272062823 263001995 /nfs/dbraw/zinc/00/19/95/263001995.db2.gz XEXJCSVDELPZCI-MRXNPFEDSA-N 1 1 296.418 3.650 20 30 CHEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H](C)Cc1ccsc1 ZINC000275177492 263032782 /nfs/dbraw/zinc/03/27/82/263032782.db2.gz WGCGALBQHBBLKW-CYBMUJFWSA-N 1 1 264.438 3.941 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000276645610 263037655 /nfs/dbraw/zinc/03/76/55/263037655.db2.gz YEQQQONIHSJAOE-DTWKUNHWSA-N 1 1 291.342 3.895 20 30 CHEDMO CSCCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000281443114 263068953 /nfs/dbraw/zinc/06/89/53/263068953.db2.gz QCFSSRQCLBMYAL-UHFFFAOYSA-N 1 1 276.449 3.673 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285365117 263092458 /nfs/dbraw/zinc/09/24/58/263092458.db2.gz FNEKHCAXJRVODJ-ZACQAIPSSA-N 1 1 254.377 3.558 20 30 CHEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285551516 263094137 /nfs/dbraw/zinc/09/41/37/263094137.db2.gz UQIDEOXFWKEVTK-KURKYZTESA-N 1 1 268.404 3.948 20 30 CHEDMO C[C@@H]([NH2+]CCCC#N)c1csc(-c2ccccc2F)n1 ZINC000291236691 263120817 /nfs/dbraw/zinc/12/08/17/263120817.db2.gz OLDHISMKTHSULC-LLVKDONJSA-N 1 1 289.379 3.904 20 30 CHEDMO N#CCCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450574 263155091 /nfs/dbraw/zinc/15/50/91/263155091.db2.gz NNOGPOFNBACNFW-QYZOEREBSA-N 1 1 297.446 3.638 20 30 CHEDMO N#CCCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450574 263155092 /nfs/dbraw/zinc/15/50/92/263155092.db2.gz NNOGPOFNBACNFW-QYZOEREBSA-N 1 1 297.446 3.638 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000294076869 263155608 /nfs/dbraw/zinc/15/56/08/263155608.db2.gz KZZJCHTXVMUTKJ-OCCSQVGLSA-N 1 1 260.406 3.533 20 30 CHEDMO CCC[N@@H+](CCc1cccs1)[C@H](C)CCC#N ZINC000299209119 263235053 /nfs/dbraw/zinc/23/50/53/263235053.db2.gz GOLWJLZGEFQDAD-CYBMUJFWSA-N 1 1 250.411 3.695 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000299648451 263250667 /nfs/dbraw/zinc/25/06/67/263250667.db2.gz KUDPIILCCAUKOK-SNVBAGLBSA-N 1 1 254.736 3.603 20 30 CHEDMO COc1cccc2c1CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000187720963 263267415 /nfs/dbraw/zinc/26/74/15/263267415.db2.gz UGTTZKYSRQGHLB-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000340903578 263308865 /nfs/dbraw/zinc/30/88/65/263308865.db2.gz WBKMIGMZZHJBOI-KUHUBIRLSA-N 1 1 279.449 3.601 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330943159 264084373 /nfs/dbraw/zinc/08/43/73/264084373.db2.gz FDZCIPFSTWHTJN-DOTOQJQBSA-N 1 1 299.418 3.893 20 30 CHEDMO C=C(C)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126102611 264122473 /nfs/dbraw/zinc/12/24/73/264122473.db2.gz SKZADEBHWMSAGV-GOSISDBHSA-N 1 1 291.398 3.828 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425371439 264201793 /nfs/dbraw/zinc/20/17/93/264201793.db2.gz LLKOWIKZGUSXOF-INIZCTEOSA-N 1 1 290.451 3.597 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425367328 264211806 /nfs/dbraw/zinc/21/18/06/264211806.db2.gz SKTITJNKTPTZJK-OAHLLOKOSA-N 1 1 289.382 3.931 20 30 CHEDMO CC(C)n1cncc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368069 264213329 /nfs/dbraw/zinc/21/33/29/264213329.db2.gz VMDKOAVVXSNEJX-AWEZNQCLSA-N 1 1 282.391 3.529 20 30 CHEDMO CC(C)n1cncc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368069 264213332 /nfs/dbraw/zinc/21/33/32/264213332.db2.gz VMDKOAVVXSNEJX-AWEZNQCLSA-N 1 1 282.391 3.529 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000129782233 264332843 /nfs/dbraw/zinc/33/28/43/264332843.db2.gz KGMRLDPBPFMVAZ-SECBINFHSA-N 1 1 258.818 3.978 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C(F)F)no2)CCCC1(C)C ZINC000425469727 264343082 /nfs/dbraw/zinc/34/30/82/264343082.db2.gz FBVMDEBLLRNYRE-JTQLQIEISA-N 1 1 285.338 3.574 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2nc(C(F)F)no2)CCCC1(C)C ZINC000425469727 264343084 /nfs/dbraw/zinc/34/30/84/264343084.db2.gz FBVMDEBLLRNYRE-JTQLQIEISA-N 1 1 285.338 3.574 20 30 CHEDMO N#CCCCOc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000093441932 265179850 /nfs/dbraw/zinc/17/98/50/265179850.db2.gz BIFXEGGRLBADFQ-HDICACEKSA-N 1 1 298.430 3.991 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000353166995 266035343 /nfs/dbraw/zinc/03/53/43/266035343.db2.gz XQZZJCICRUXCLT-UHFFFAOYSA-N 1 1 252.361 3.757 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356300905 266092106 /nfs/dbraw/zinc/09/21/06/266092106.db2.gz KGVZJGAUAHRUEI-ZFWWWQNUSA-N 1 1 297.427 3.783 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356300905 266092109 /nfs/dbraw/zinc/09/21/09/266092109.db2.gz KGVZJGAUAHRUEI-ZFWWWQNUSA-N 1 1 297.427 3.783 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000356402720 266107601 /nfs/dbraw/zinc/10/76/01/266107601.db2.gz ZFGPLTKYLBYCIL-CYBMUJFWSA-N 1 1 282.309 3.807 20 30 CHEDMO COc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1SC ZINC000356468218 266119350 /nfs/dbraw/zinc/11/93/50/266119350.db2.gz CKIKRENAAGEANA-UHFFFAOYSA-N 1 1 290.432 3.543 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC12CCC2 ZINC000357059812 266239474 /nfs/dbraw/zinc/23/94/74/266239474.db2.gz AXUVYUZGPOHMAC-CYBMUJFWSA-N 1 1 272.367 3.709 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472862 266292479 /nfs/dbraw/zinc/29/24/79/266292479.db2.gz LUIRCNBGLPFQMM-OAHLLOKOSA-N 1 1 283.419 3.983 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC(C)=C(C)C2)c1C ZINC000361623991 266859296 /nfs/dbraw/zinc/85/92/96/266859296.db2.gz PFJJCVKQELBHEX-UHFFFAOYSA-N 1 1 286.419 3.516 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC(C)=C(C)C2)c1C ZINC000361623991 266859299 /nfs/dbraw/zinc/85/92/99/266859299.db2.gz PFJJCVKQELBHEX-UHFFFAOYSA-N 1 1 286.419 3.516 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)ccc1C#N ZINC000362935566 267063039 /nfs/dbraw/zinc/06/30/39/267063039.db2.gz QCVNRZDIIFMXKD-CYBMUJFWSA-N 1 1 254.333 3.653 20 30 CHEDMO Cc1ccc2c(C3=CC[N@@H+](CCCC#N)CC3)c[nH]c2c1 ZINC000363013345 267072790 /nfs/dbraw/zinc/07/27/90/267072790.db2.gz JNHIIQLRWRJTHL-UHFFFAOYSA-N 1 1 279.387 3.869 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000367973851 267131694 /nfs/dbraw/zinc/13/16/94/267131694.db2.gz QRYMPKJZYPPULQ-CXAGYDPISA-N 1 1 284.403 3.598 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCSC1 ZINC000369492849 267246318 /nfs/dbraw/zinc/24/63/18/267246318.db2.gz WYDSPQLGZYCDHO-OIISXLGYSA-N 1 1 286.444 3.511 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369997645 267281372 /nfs/dbraw/zinc/28/13/72/267281372.db2.gz PSHKNOLSYIXTPN-QGZVFWFLSA-N 1 1 286.419 3.860 20 30 CHEDMO C[C@H]1[N@@H+](CCCCC(C)(C)C#N)CCC12CCOCC2 ZINC000370500707 267324290 /nfs/dbraw/zinc/32/42/90/267324290.db2.gz SVMSHZXNLYALRG-OAHLLOKOSA-N 1 1 278.440 3.597 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1)CC(C)(C)CCC#N ZINC000120023617 267352662 /nfs/dbraw/zinc/35/26/62/267352662.db2.gz OIKOKLHCEDDZJC-UHFFFAOYSA-N 1 1 262.372 3.978 20 30 CHEDMO N#CC1(C[NH2+]Cc2cscc2C(F)(F)F)CCC1 ZINC000418143023 267364215 /nfs/dbraw/zinc/36/42/15/267364215.db2.gz OBLFUCOBPKXDEY-UHFFFAOYSA-N 1 1 274.311 3.550 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000120114094 267381997 /nfs/dbraw/zinc/38/19/97/267381997.db2.gz RZDDCWHCJXVMBF-MRXNPFEDSA-N 1 1 288.435 3.837 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000121467589 267657899 /nfs/dbraw/zinc/65/78/99/267657899.db2.gz YMEBTAZZGIXUEP-ZDUSSCGKSA-N 1 1 292.448 3.530 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000336023614 533699179 /nfs/dbraw/zinc/69/91/79/533699179.db2.gz RMNUJUHZCWVEIL-ACJLOTCBSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000336023614 533699190 /nfs/dbraw/zinc/69/91/90/533699190.db2.gz RMNUJUHZCWVEIL-ACJLOTCBSA-N 1 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/nfs/dbraw/zinc/00/49/81/331004981.db2.gz QQWVYBNEAURNGT-UHFFFAOYSA-N 1 1 254.377 3.759 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000451006351 331011556 /nfs/dbraw/zinc/01/15/56/331011556.db2.gz RQNNCHJTMDLQCJ-IBGZPJMESA-N 1 1 291.398 3.527 20 30 CHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000451035895 331012753 /nfs/dbraw/zinc/01/27/53/331012753.db2.gz GNUXHJLBNIRNES-INIZCTEOSA-N 1 1 272.392 3.772 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000451112254 331015955 /nfs/dbraw/zinc/01/59/55/331015955.db2.gz HWQBTIHTTJEUNP-KRWDZBQOSA-N 1 1 274.383 3.812 20 30 CHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000451188934 331019599 /nfs/dbraw/zinc/01/95/99/331019599.db2.gz DYEMFMITRVTRCE-QGZVFWFLSA-N 1 1 280.346 3.769 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451344584 331025119 /nfs/dbraw/zinc/02/51/19/331025119.db2.gz QAIDHCJVHMRIDK-UTRMSSBJSA-N 1 1 298.430 3.635 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451354249 331025333 /nfs/dbraw/zinc/02/53/33/331025333.db2.gz QSVXCSJPLTYAJJ-NXOAAHMSSA-N 1 1 265.441 3.747 20 30 CHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000451407485 331028144 /nfs/dbraw/zinc/02/81/44/331028144.db2.gz LNIUOOIFFGCYLD-DZGCQCFKSA-N 1 1 281.321 3.701 20 30 CHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000451407485 331028145 /nfs/dbraw/zinc/02/81/45/331028145.db2.gz LNIUOOIFFGCYLD-DZGCQCFKSA-N 1 1 281.321 3.701 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451882067 331046062 /nfs/dbraw/zinc/04/60/62/331046062.db2.gz QQKCDBRTSLIULL-UONOGXRCSA-N 1 1 292.389 3.547 20 30 CHEDMO N#Cc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@]3(CCSC3)C1)CC2 ZINC000453345576 331119908 /nfs/dbraw/zinc/11/99/08/331119908.db2.gz FHUYFMDSJOSKQR-QZTJIDSGSA-N 1 1 298.455 3.765 20 30 CHEDMO C=C(CC)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000453352420 331120802 /nfs/dbraw/zinc/12/08/02/331120802.db2.gz IYFXCJPHEQDRSC-MRXNPFEDSA-N 1 1 289.810 3.719 20 30 CHEDMO C=C(CC)C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000453372049 331124292 /nfs/dbraw/zinc/12/42/92/331124292.db2.gz RYPYQVKDZCAHCZ-MRVPVSSYSA-N 1 1 275.215 3.522 20 30 CHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000459297665 331275003 /nfs/dbraw/zinc/27/50/03/331275003.db2.gz RPZYVBLGKQXKNB-CZUORRHYSA-N 1 1 299.374 3.621 20 30 CHEDMO C=CCN1CCC([NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459396000 331279785 /nfs/dbraw/zinc/27/97/85/331279785.db2.gz DKXNCXUNIMSZOH-UHFFFAOYSA-N 1 1 296.817 3.528 20 30 CHEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC(C)(C)C#N ZINC000459492193 331284748 /nfs/dbraw/zinc/28/47/48/331284748.db2.gz VVPFQZYZIVCTKQ-CYBMUJFWSA-N 1 1 256.393 3.718 20 30 CHEDMO CC#CCC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000462313658 331319217 /nfs/dbraw/zinc/31/92/17/331319217.db2.gz IQWQDHFJFQRMRU-CJNGLKHVSA-N 1 1 257.377 3.781 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000463199174 331341997 /nfs/dbraw/zinc/34/19/97/331341997.db2.gz GMYSGRLCWPKMDC-YYIAUSFCSA-N 1 1 265.441 3.604 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000464502489 331361629 /nfs/dbraw/zinc/36/16/29/331361629.db2.gz ZTFJWTADUOLXTJ-CVEARBPZSA-N 1 1 281.440 3.785 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000464569658 331362840 /nfs/dbraw/zinc/36/28/40/331362840.db2.gz KMQQOWSQFWNQDP-UHFFFAOYSA-N 1 1 292.423 3.805 20 30 CHEDMO N#CC1(F)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000510945290 332921435 /nfs/dbraw/zinc/92/14/35/332921435.db2.gz INICJRRURUMNRZ-OWOJBTEDSA-N 1 1 278.758 3.681 20 30 CHEDMO C=C(CC)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483234691 331864305 /nfs/dbraw/zinc/86/43/05/331864305.db2.gz MKPLZWGWLDFNFS-LBPRGKRZSA-N 1 1 274.191 3.583 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000488333563 332000530 /nfs/dbraw/zinc/00/05/30/332000530.db2.gz VASUDTVVSUNLMX-INIZCTEOSA-N 1 1 281.440 3.787 20 30 CHEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000488588822 332019446 /nfs/dbraw/zinc/01/94/46/332019446.db2.gz LNZHVKKKTDIFCV-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO COCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CC[C@@H](C)C1 ZINC000489032738 332038489 /nfs/dbraw/zinc/03/84/89/332038489.db2.gz AZVMMCLMZIMJEH-KDOFPFPSSA-N 1 1 286.419 3.504 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000489407948 332050428 /nfs/dbraw/zinc/05/04/28/332050428.db2.gz VKFXOMVTGUEOIM-OAHLLOKOSA-N 1 1 298.386 3.891 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000489407948 332050430 /nfs/dbraw/zinc/05/04/30/332050430.db2.gz VKFXOMVTGUEOIM-OAHLLOKOSA-N 1 1 298.386 3.891 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000489424809 332051106 /nfs/dbraw/zinc/05/11/06/332051106.db2.gz SLLXQASFWGHPSU-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000489421492 332051364 /nfs/dbraw/zinc/05/13/64/332051364.db2.gz CKVIRZUZVQAVIQ-HNNXBMFYSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000489421492 332051365 /nfs/dbraw/zinc/05/13/65/332051365.db2.gz CKVIRZUZVQAVIQ-HNNXBMFYSA-N 1 1 285.366 3.552 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(SC)c(OC)c1 ZINC000489446766 332053009 /nfs/dbraw/zinc/05/30/09/332053009.db2.gz JANXAZWRFZNCJK-AWEZNQCLSA-N 1 1 277.433 3.958 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CC1(C)C ZINC000489456884 332053940 /nfs/dbraw/zinc/05/39/40/332053940.db2.gz PCTKEXJRFCLKER-HNNXBMFYSA-N 1 1 256.393 3.718 20 30 CHEDMO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000489565574 332059489 /nfs/dbraw/zinc/05/94/89/332059489.db2.gz IRIAAPJXLLXIMP-UHFFFAOYSA-N 1 1 268.335 3.722 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1F ZINC000490410240 332088874 /nfs/dbraw/zinc/08/88/74/332088874.db2.gz QWPFAHUKHJUHQM-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO COCCCCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000491028543 332140812 /nfs/dbraw/zinc/14/08/12/332140812.db2.gz PLPNONOEHMTABF-UHFFFAOYSA-N 1 1 288.435 3.833 20 30 CHEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500790681 332619128 /nfs/dbraw/zinc/61/91/28/332619128.db2.gz LNSSDVIPSPDYRX-LBPRGKRZSA-N 1 1 294.826 3.942 20 30 CHEDMO COc1ccccc1/C=C/C[N@H+](CCC#N)CCC(C)C ZINC000513736949 333036669 /nfs/dbraw/zinc/03/66/69/333036669.db2.gz PXJLRAGMUZVLCQ-RMKNXTFCSA-N 1 1 286.419 3.970 20 30 CHEDMO COc1ccccc1/C=C/C[N@@H+](CCC#N)CCC(C)C ZINC000513736949 333036670 /nfs/dbraw/zinc/03/66/70/333036670.db2.gz PXJLRAGMUZVLCQ-RMKNXTFCSA-N 1 1 286.419 3.970 20 30 CHEDMO C=CC[N@H+](CCSC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000513892268 333047419 /nfs/dbraw/zinc/04/74/19/333047419.db2.gz VTYNFSYRDOHXKM-UHFFFAOYSA-N 1 1 294.420 3.724 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000513962315 333055159 /nfs/dbraw/zinc/05/51/59/333055159.db2.gz VJPMGILJVDFGMF-HNNXBMFYSA-N 1 1 264.372 3.945 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000513962315 333055160 /nfs/dbraw/zinc/05/51/60/333055160.db2.gz VJPMGILJVDFGMF-HNNXBMFYSA-N 1 1 264.372 3.945 20 30 CHEDMO N#CC1(CC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)CCCCC1 ZINC000516739576 333081492 /nfs/dbraw/zinc/08/14/92/333081492.db2.gz OMFGDQGPWANKGZ-INIZCTEOSA-N 1 1 286.423 3.801 20 30 CHEDMO N#CC1(CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)CCCCC1 ZINC000516739576 333081493 /nfs/dbraw/zinc/08/14/93/333081493.db2.gz OMFGDQGPWANKGZ-INIZCTEOSA-N 1 1 286.423 3.801 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185509659 333142261 /nfs/dbraw/zinc/14/22/61/333142261.db2.gz GZHZZTWNCZNIEQ-VOMCLLRMSA-N 1 1 262.319 3.589 20 30 CHEDMO N#CCC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000185604459 333144549 /nfs/dbraw/zinc/14/45/49/333144549.db2.gz KURMWFUYBNDTRR-QGZVFWFLSA-N 1 1 284.334 3.666 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000223521532 333208780 /nfs/dbraw/zinc/20/87/80/333208780.db2.gz MGIZQCFDWZZASU-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191773566 333225051 /nfs/dbraw/zinc/22/50/51/333225051.db2.gz GMUQALOUKCFSKS-NSHDSACASA-N 1 1 293.208 3.553 20 30 CHEDMO CC[N@@H+](CC#Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000192058775 333228991 /nfs/dbraw/zinc/22/89/91/333228991.db2.gz LCDBYEWLGCWECX-MRXNPFEDSA-N 1 1 279.383 3.827 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000227271877 333279099 /nfs/dbraw/zinc/27/90/99/333279099.db2.gz MICPTKZYORXJAC-DOTOQJQBSA-N 1 1 284.403 3.721 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522536503 333289417 /nfs/dbraw/zinc/28/94/17/333289417.db2.gz SZKMZNPHDBMRLA-UHFFFAOYSA-N 1 1 268.744 3.646 20 30 CHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748237 333309145 /nfs/dbraw/zinc/30/91/45/333309145.db2.gz MGJGAOMNACSAIJ-BLLLJJGKSA-N 1 1 260.356 3.708 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000230142233 333314779 /nfs/dbraw/zinc/31/47/79/333314779.db2.gz HDLQDJPQPQUTOR-CQSZACIVSA-N 1 1 260.356 3.565 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000230142225 333314829 /nfs/dbraw/zinc/31/48/29/333314829.db2.gz DFNWSJSMDCCUSU-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO C=C(C)CN1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000302756997 333335048 /nfs/dbraw/zinc/33/50/48/333335048.db2.gz QVOLFMLAOFSTOJ-UHFFFAOYSA-N 1 1 272.436 3.504 20 30 CHEDMO C=C(C)C[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000302755013 333335199 /nfs/dbraw/zinc/33/51/99/333335199.db2.gz KKWRNFLBFGZSQR-UHFFFAOYSA-N 1 1 280.415 3.534 20 30 CHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000232555748 333338595 /nfs/dbraw/zinc/33/85/95/333338595.db2.gz KZZWEEXMOLFHRB-CQSZACIVSA-N 1 1 294.439 3.513 20 30 CHEDMO COc1cc(C[N@H+]2CCCC(C)(C)CC2)ccc1C#N ZINC000234964644 333363470 /nfs/dbraw/zinc/36/34/70/333363470.db2.gz CAIPSEFTZOLRAD-UHFFFAOYSA-N 1 1 272.392 3.579 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1F ZINC000524757171 333387162 /nfs/dbraw/zinc/38/71/62/333387162.db2.gz JSZJAAJQMZHZIO-HACGYAERSA-N 1 1 272.367 3.850 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2sccc2C)cc1C#N ZINC000340127935 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254.462 3.765 20 30 CHEDMO CCCCCCCCCN1CCC[N@H+](CC)CC1 ZINC001201839617 1123153910 /nfs/dbraw/zinc/15/39/10/1123153910.db2.gz ODGMEQOGJXAXDR-UHFFFAOYSA-N 1 1 254.462 3.765 20 30 CHEDMO CCCCCCCCCN1CCC[N@@H+](CC)CC1 ZINC001201839617 1123153915 /nfs/dbraw/zinc/15/39/15/1123153915.db2.gz ODGMEQOGJXAXDR-UHFFFAOYSA-N 1 1 254.462 3.765 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@]12CCOC2 ZINC001201875293 1123156600 /nfs/dbraw/zinc/15/66/00/1123156600.db2.gz UISZIGAIXNDYPS-INIZCTEOSA-N 1 1 253.430 3.992 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487402425 1123235241 /nfs/dbraw/zinc/23/52/41/1123235241.db2.gz XGESALJEDISBPJ-OKILXGFUSA-N 1 1 256.393 3.576 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001252130657 1123227021 /nfs/dbraw/zinc/22/70/21/1123227021.db2.gz VVQSFENZRRDDQO-DLBZAZTESA-N 1 1 280.456 3.724 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(Cl)c(F)c1)C(C)(C)C ZINC000852554172 1123408702 /nfs/dbraw/zinc/40/87/02/1123408702.db2.gz FIHJTAGXZRHIHK-UHFFFAOYSA-N 1 1 256.752 3.661 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000877562746 1125045846 /nfs/dbraw/zinc/04/58/46/1125045846.db2.gz BKSWSHIICQHATF-KSZLIROESA-N 1 1 277.452 3.586 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399263640 1125339475 /nfs/dbraw/zinc/33/94/75/1125339475.db2.gz RBUYOFZXKPAVKG-KRWDZBQOSA-N 1 1 256.393 3.763 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000773004310 1131915248 /nfs/dbraw/zinc/91/52/48/1131915248.db2.gz KFJSAHPTUNACIB-CQSZACIVSA-N 1 1 265.784 3.859 20 30 CHEDMO C=CC[N@@H+](Cc1cnccc1C(F)(F)F)C(C)(C)C ZINC001140922835 1131965563 /nfs/dbraw/zinc/96/55/63/1131965563.db2.gz GFXUNSSHTPVRAH-UHFFFAOYSA-N 1 1 272.314 3.887 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156643 1132125623 /nfs/dbraw/zinc/12/56/23/1132125623.db2.gz RQYDYUBKMLAEGH-HZPDHXFCSA-N 1 1 272.452 3.888 20 30 CHEDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172348518 1132182017 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ZINC001206337972 1133692129 /nfs/dbraw/zinc/69/21/29/1133692129.db2.gz XMXUIYHBUSFZQB-INIZCTEOSA-N 1 1 270.436 3.666 20 30 CHEDMO C=CCCCCCCCN1CCCC[C@](F)(C[NH3+])C1 ZINC001206337972 1133692132 /nfs/dbraw/zinc/69/21/32/1133692132.db2.gz XMXUIYHBUSFZQB-INIZCTEOSA-N 1 1 270.436 3.666 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccncc1OC ZINC001206473248 1133707153 /nfs/dbraw/zinc/70/71/53/1133707153.db2.gz GFJVMSTVUKVMOX-UHFFFAOYSA-N 1 1 264.413 3.883 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC001207896300 1133856434 /nfs/dbraw/zinc/85/64/34/1133856434.db2.gz MFQNARXMOMZKID-HZPDHXFCSA-N 1 1 253.430 3.748 20 30 CHEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+](CC)CC2(C)C)CC1 ZINC001208178548 1133899716 /nfs/dbraw/zinc/89/97/16/1133899716.db2.gz JUQUMXREXCNGJE-QGZVFWFLSA-N 1 1 276.468 3.705 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN(CC)CC2(C)C)CC1 ZINC001208178548 1133899722 /nfs/dbraw/zinc/89/97/22/1133899722.db2.gz JUQUMXREXCNGJE-QGZVFWFLSA-N 1 1 276.468 3.705 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN(CC)CC2(C)C)CC1 ZINC001208178548 1133899725 /nfs/dbraw/zinc/89/97/25/1133899725.db2.gz JUQUMXREXCNGJE-QGZVFWFLSA-N 1 1 276.468 3.705 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)CCCCC#N)c1 ZINC000120574329 1125549569 /nfs/dbraw/zinc/54/95/69/1125549569.db2.gz ZODKJZUFEKDVST-UHFFFAOYSA-N 1 1 260.381 3.599 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000121493762 1125560840 /nfs/dbraw/zinc/56/08/40/1125560840.db2.gz LBIAKXHDDZBPDI-ZDUSSCGKSA-N 1 1 296.370 3.885 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000121493762 1125560845 /nfs/dbraw/zinc/56/08/45/1125560845.db2.gz LBIAKXHDDZBPDI-ZDUSSCGKSA-N 1 1 296.370 3.885 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000135864883 1125604338 /nfs/dbraw/zinc/60/43/38/1125604338.db2.gz NDEHIZVHTYSRMK-LLVKDONJSA-N 1 1 257.761 3.705 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000135864923 1125603936 /nfs/dbraw/zinc/60/39/36/1125603936.db2.gz NDEHIZVHTYSRMK-NSHDSACASA-N 1 1 257.761 3.705 20 30 CHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C(C1CC1)C1CC1 ZINC000533463106 1125608601 /nfs/dbraw/zinc/60/86/01/1125608601.db2.gz NQVSUQNSDREQAK-UHFFFAOYSA-N 1 1 273.807 3.812 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885961011 1125630359 /nfs/dbraw/zinc/63/03/59/1125630359.db2.gz SRKNPSVCLROCLF-AEFFLSMTSA-N 1 1 298.430 3.577 20 30 CHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1 ZINC000249037854 1125677140 /nfs/dbraw/zinc/67/71/40/1125677140.db2.gz TWBFNUXAKAXXQL-FVQBIDKESA-N 1 1 297.427 3.904 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000886541304 1125686759 /nfs/dbraw/zinc/68/67/59/1125686759.db2.gz TYKSRQJNUBRKQQ-GUYCJALGSA-N 1 1 266.344 3.734 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F ZINC000886603446 1125696917 /nfs/dbraw/zinc/69/69/17/1125696917.db2.gz ODTHCDRNOJDCDD-MEDUHNTESA-N 1 1 296.345 3.741 20 30 CHEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614963385 1125699770 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C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000093689512 1125772827 /nfs/dbraw/zinc/77/28/27/1125772827.db2.gz VTTGKEDKNQLCGW-GUYCJALGSA-N 1 1 266.344 3.529 20 30 CHEDMO C=C(Br)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736946555 1129382152 /nfs/dbraw/zinc/38/21/52/1129382152.db2.gz PSFNBZCNRCMWTC-WCQYABFASA-N 1 1 298.199 3.912 20 30 CHEDMO C=C(Br)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736946555 1129382156 /nfs/dbraw/zinc/38/21/56/1129382156.db2.gz PSFNBZCNRCMWTC-WCQYABFASA-N 1 1 298.199 3.912 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CCc1ccccc1Cl ZINC000739914910 1129410031 /nfs/dbraw/zinc/41/00/31/1129410031.db2.gz SBWHVKQUOBOCNZ-UHFFFAOYSA-N 1 1 264.800 3.754 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000740878018 1129422827 /nfs/dbraw/zinc/42/28/27/1129422827.db2.gz NUJQBAPBSGDNFG-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000743855914 1129541506 /nfs/dbraw/zinc/54/15/06/1129541506.db2.gz BPTXIOXGIBDFQK-HZMBPMFUSA-N 1 1 253.748 3.961 20 30 CHEDMO CCCCCCC[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000796528474 1129774822 /nfs/dbraw/zinc/77/48/22/1129774822.db2.gz USVIYKUUMMCHCQ-UHFFFAOYSA-N 1 1 253.430 3.848 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000768542037 1129861932 /nfs/dbraw/zinc/86/19/32/1129861932.db2.gz DIDAGGZZTCFBGQ-KGLIPLIRSA-N 1 1 274.408 3.844 20 30 CHEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@@H](CC)c1ccccc1 ZINC000801913207 1129958144 /nfs/dbraw/zinc/95/81/44/1129958144.db2.gz ABTITOILZGGVJD-RDJZCZTQSA-N 1 1 274.408 3.778 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc2c(ccnc2Cl)o1 ZINC000903101794 1130112748 /nfs/dbraw/zinc/11/27/48/1130112748.db2.gz MOPTWLLRFFYCJZ-SECBINFHSA-N 1 1 277.755 3.682 20 30 CHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000481731422 1126710053 /nfs/dbraw/zinc/71/00/53/1126710053.db2.gz QIKGHPTXFDFAGM-BXUZGUMPSA-N 1 1 282.309 3.721 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000159675851 1126750382 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CCCC1CCC([N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000483421617 1126786550 /nfs/dbraw/zinc/78/65/50/1126786550.db2.gz VBPLVAIMKQKACI-UHFFFAOYSA-N 1 1 273.424 3.687 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000483970396 1126806978 /nfs/dbraw/zinc/80/69/78/1126806978.db2.gz BORGIHGZHAZGOW-LJQANCHMSA-N 1 1 265.400 3.860 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC000483962467 1126805492 /nfs/dbraw/zinc/80/54/92/1126805492.db2.gz YTKVOWUHWKVNIR-MRXNPFEDSA-N 1 1 298.336 3.826 20 30 CHEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000483988677 1126808034 /nfs/dbraw/zinc/80/80/34/1126808034.db2.gz VWNBJFUTMKZNPC-OTWHNJEPSA-N 1 1 297.442 3.564 20 30 CHEDMO C=C(C)CN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811651309 1130629931 /nfs/dbraw/zinc/62/99/31/1130629931.db2.gz QSGGYLAOFYRDGQ-UHFFFAOYSA-N 1 1 286.206 3.559 20 30 CHEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)n1 ZINC001238728428 1131238189 /nfs/dbraw/zinc/23/81/89/1131238189.db2.gz PXFMASCDVFIETC-ZDUSSCGKSA-N 1 1 291.826 3.984 20 30 CHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)n1 ZINC001238728428 1131238192 /nfs/dbraw/zinc/23/81/92/1131238192.db2.gz PXFMASCDVFIETC-ZDUSSCGKSA-N 1 1 291.826 3.984 20 30 CHEDMO C#CCCCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000180435068 1126843163 /nfs/dbraw/zinc/84/31/63/1126843163.db2.gz CITLGZUNTYGTBC-UHFFFAOYSA-N 1 1 298.430 3.790 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000904602458 1126861857 /nfs/dbraw/zinc/86/18/57/1126861857.db2.gz PHVMBEASXWJVFO-CABCVRRESA-N 1 1 283.375 3.504 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000904576165 1126861151 /nfs/dbraw/zinc/86/11/51/1126861151.db2.gz GLVFJLNJHGKISD-XQQFMLRXSA-N 1 1 263.385 3.719 20 30 CHEDMO CC(C)Cn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000181810741 1126861508 /nfs/dbraw/zinc/86/15/08/1126861508.db2.gz VMAKSRRUGSYTPL-GOSISDBHSA-N 1 1 296.418 3.674 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)C(C)(C)C)no1 ZINC000904612186 1126862429 /nfs/dbraw/zinc/86/24/29/1126862429.db2.gz JHMJJDFLNMBYRE-GHMZBOCLSA-N 1 1 251.374 3.575 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)c2cccs2)no1 ZINC000904617312 1126863126 /nfs/dbraw/zinc/86/31/26/1126863126.db2.gz TZUYNUPLYYXTHL-GHMZBOCLSA-N 1 1 277.393 3.639 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2coc(C)n2)no1 ZINC000904711985 1126867792 /nfs/dbraw/zinc/86/77/92/1126867792.db2.gz CYTKAGILTACDLG-GFCCVEGCSA-N 1 1 292.383 3.783 20 30 CHEDMO CCCCCCCCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041512 1130705567 /nfs/dbraw/zinc/70/55/67/1130705567.db2.gz QZSIQFALRQICCF-KRWDZBQOSA-N 1 1 266.473 3.955 20 30 CHEDMO C=C(C)[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450950 1126906763 /nfs/dbraw/zinc/90/67/63/1126906763.db2.gz CZBVJZVBPVHICV-RVSPLBMKSA-N 1 1 294.389 3.654 20 30 CHEDMO C=CCN1CCC([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186325345 1126906837 /nfs/dbraw/zinc/90/68/37/1126906837.db2.gz NJFHBINUQRXBGP-ZDUSSCGKSA-N 1 1 293.480 3.568 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ncc(Cl)cn1 ZINC001235408616 1130738827 /nfs/dbraw/zinc/73/88/27/1130738827.db2.gz BCRFLHMGYGJWBH-UHFFFAOYSA-N 1 1 269.820 3.922 20 30 CHEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H](C)C(C)C ZINC000245558695 1129211920 /nfs/dbraw/zinc/21/19/20/1129211920.db2.gz KYTBHLDSRBIYHQ-MRXNPFEDSA-N 1 1 287.451 3.903 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000668493999 1126917939 /nfs/dbraw/zinc/91/79/39/1126917939.db2.gz TXXPYBXYNYHYHY-UKRRQHHQSA-N 1 1 292.448 3.783 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000189921835 1126935975 /nfs/dbraw/zinc/93/59/75/1126935975.db2.gz GVZJAXZPDBUZSB-GFCCVEGCSA-N 1 1 287.794 3.743 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(F)cccc1Cl ZINC000191276600 1126949828 /nfs/dbraw/zinc/94/98/28/1126949828.db2.gz PGJREHMCOFWLHZ-JTQLQIEISA-N 1 1 291.757 3.540 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2cc(F)cc(Cl)c2)CC1 ZINC000485718911 1126946444 /nfs/dbraw/zinc/94/64/44/1126946444.db2.gz KTZNGTLJUVMEGG-UHFFFAOYSA-N 1 1 296.817 3.609 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266589689 1126984759 /nfs/dbraw/zinc/98/47/59/1126984759.db2.gz LVAXMYFHQJIHIX-QGPMSJSTSA-N 1 1 284.403 3.742 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000266860654 1126988893 /nfs/dbraw/zinc/98/88/93/1126988893.db2.gz JOAFBUBAYNGTIA-HNAYVOBHSA-N 1 1 292.382 3.782 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267657202 1127003728 /nfs/dbraw/zinc/00/37/28/1127003728.db2.gz CFTQONGLNDMIRG-UHFFFAOYSA-N 1 1 278.346 3.653 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267657202 1127003730 /nfs/dbraw/zinc/00/37/30/1127003730.db2.gz CFTQONGLNDMIRG-UHFFFAOYSA-N 1 1 278.346 3.653 20 30 CHEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC#N ZINC000348365780 1127018045 /nfs/dbraw/zinc/01/80/45/1127018045.db2.gz DCOLOTXIRAGNEC-DHZHZOJOSA-N 1 1 268.282 3.612 20 30 CHEDMO CC[C@@H](C)CO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000814939159 1130941227 /nfs/dbraw/zinc/94/12/27/1130941227.db2.gz GTGKDGXOMLZNEA-SECBINFHSA-N 1 1 254.761 3.709 20 30 CHEDMO C[C@H](c1cccs1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000042315351 1127038320 /nfs/dbraw/zinc/03/83/20/1127038320.db2.gz FHTOSUFVRICVOM-CYBMUJFWSA-N 1 1 286.400 3.692 20 30 CHEDMO Cc1ccc(F)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000269610636 1127043231 /nfs/dbraw/zinc/04/32/31/1127043231.db2.gz LXOVHCCRRSSQMQ-UHFFFAOYSA-N 1 1 280.346 3.785 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000488127964 1127058297 /nfs/dbraw/zinc/05/82/97/1127058297.db2.gz PGLMEYWPZUXLBK-SFHVURJKSA-N 1 1 284.403 3.678 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000488127964 1127058301 /nfs/dbraw/zinc/05/83/01/1127058301.db2.gz PGLMEYWPZUXLBK-SFHVURJKSA-N 1 1 284.403 3.678 20 30 CHEDMO Cc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)ccc1C#N ZINC000488144518 1127059176 /nfs/dbraw/zinc/05/91/76/1127059176.db2.gz VOBACCMRWRNCIG-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cc(C[N@H+]2CCc3cc(F)ccc3C2)ccc1C#N ZINC000488144518 1127059177 /nfs/dbraw/zinc/05/91/77/1127059177.db2.gz VOBACCMRWRNCIG-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1C#N ZINC000488215465 1127062749 /nfs/dbraw/zinc/06/27/49/1127062749.db2.gz KQUNFDHIMAHCAN-INIZCTEOSA-N 1 1 298.411 3.502 20 30 CHEDMO Cc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1C#N ZINC000488215465 1127062755 /nfs/dbraw/zinc/06/27/55/1127062755.db2.gz KQUNFDHIMAHCAN-INIZCTEOSA-N 1 1 298.411 3.502 20 30 CHEDMO CCC1CCC([N@@H+](CCO)CCCC(C)(C)C#N)CC1 ZINC000488207167 1127062901 /nfs/dbraw/zinc/06/29/01/1127062901.db2.gz XQWBMHCOKMROLC-UHFFFAOYSA-N 1 1 280.456 3.579 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000150882414 1127108562 /nfs/dbraw/zinc/10/85/62/1127108562.db2.gz IZKQICDACWANDT-UHFFFAOYSA-N 1 1 269.820 3.560 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000150882414 1127108567 /nfs/dbraw/zinc/10/85/67/1127108567.db2.gz IZKQICDACWANDT-UHFFFAOYSA-N 1 1 269.820 3.560 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000348848694 1127131620 /nfs/dbraw/zinc/13/16/20/1127131620.db2.gz ORWHIFSAOIISLS-UHFFFAOYSA-N 1 1 269.392 3.501 20 30 CHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCCCC1 ZINC000034674090 1127134822 /nfs/dbraw/zinc/13/48/22/1127134822.db2.gz XWQNUPILYQHXEL-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000348933128 1127135828 /nfs/dbraw/zinc/13/58/28/1127135828.db2.gz HTYFGPIGIIWUQF-IBGZPJMESA-N 1 1 294.398 3.984 20 30 CHEDMO CC(C)CCOCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000348991905 1127136599 /nfs/dbraw/zinc/13/65/99/1127136599.db2.gz OFESCHMEVFNEKM-UHFFFAOYSA-N 1 1 286.419 3.585 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000349275716 1127145622 /nfs/dbraw/zinc/14/56/22/1127145622.db2.gz IIGBKBZMDSDTAX-UHFFFAOYSA-N 1 1 294.398 3.811 20 30 CHEDMO C=C(C[NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000349561752 1127154573 /nfs/dbraw/zinc/15/45/73/1127154573.db2.gz BQLWFFDHEAUVKC-UHFFFAOYSA-N 1 1 264.781 3.600 20 30 CHEDMO CC1=CC[N@@H+](CCNc2cccc(C(F)F)c2C#N)CC1 ZINC000571296964 1127158955 /nfs/dbraw/zinc/15/89/55/1127158955.db2.gz DIYXAURFURQSIB-UHFFFAOYSA-N 1 1 291.345 3.560 20 30 CHEDMO C[C@@H](CC1CCOCC1)C[N@@H+](CCC#N)CC(C)(C)C ZINC000349964646 1127168760 /nfs/dbraw/zinc/16/87/60/1127168760.db2.gz JYBAVYZCWRQXAG-HNNXBMFYSA-N 1 1 280.456 3.701 20 30 CHEDMO C[N@@H+](C/C=C\c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000571721368 1127165971 /nfs/dbraw/zinc/16/59/71/1127165971.db2.gz CQFHZKMLASHCGN-IHWYPQMZSA-N 1 1 298.336 3.982 20 30 CHEDMO C=CC[N@H+](Cc1cc2cc(OC)ccc2o1)C1CC1 ZINC000350316730 1127177375 /nfs/dbraw/zinc/17/73/75/1127177375.db2.gz LJMZTMDWFVPRMP-UHFFFAOYSA-N 1 1 257.333 3.592 20 30 CHEDMO CCCCCCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001274802847 1127186179 /nfs/dbraw/zinc/18/61/79/1127186179.db2.gz WTFDNBXUXIZNHK-HOTGVXAUSA-N 1 1 294.483 3.678 20 30 CHEDMO COCC[N@H+](Cc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000351594098 1127196098 /nfs/dbraw/zinc/19/60/98/1127196098.db2.gz CAFLIGPENIBWIY-INIZCTEOSA-N 1 1 294.398 3.768 20 30 CHEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000351594098 1127196100 /nfs/dbraw/zinc/19/61/00/1127196100.db2.gz CAFLIGPENIBWIY-INIZCTEOSA-N 1 1 294.398 3.768 20 30 CHEDMO C[N@@H+](CCCSCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000572320095 1127197301 /nfs/dbraw/zinc/19/73/01/1127197301.db2.gz PMEFWTKFIRWRSU-TXEJJXNPSA-N 1 1 294.386 3.686 20 30 CHEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC000572493820 1127201603 /nfs/dbraw/zinc/20/16/03/1127201603.db2.gz BHAHYAHXSTWXOX-QGZVFWFLSA-N 1 1 291.398 3.560 20 30 CHEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000284830894 1127208024 /nfs/dbraw/zinc/20/80/24/1127208024.db2.gz BFYAGNWYMFKERI-QGZVFWFLSA-N 1 1 279.387 3.627 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588977777 1127208939 /nfs/dbraw/zinc/20/89/39/1127208939.db2.gz IVPKPXQKFKKROK-DYVFJYSZSA-N 1 1 254.377 3.741 20 30 CHEDMO Cc1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000588980485 1127209475 /nfs/dbraw/zinc/20/94/75/1127209475.db2.gz NXTNHXYHZMSPEO-UHFFFAOYSA-N 1 1 294.398 3.515 20 30 CHEDMO C[C@@]1(F)CCCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237746760 1131137270 /nfs/dbraw/zinc/13/72/70/1131137270.db2.gz QAMYIJORXDQBTR-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@@]1(F)CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237746760 1131137273 /nfs/dbraw/zinc/13/72/73/1131137273.db2.gz QAMYIJORXDQBTR-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000589254900 1127216436 /nfs/dbraw/zinc/21/64/36/1127216436.db2.gz OZCCGKUUGXLXRG-IAGOWNOFSA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000589254900 1127216438 /nfs/dbraw/zinc/21/64/38/1127216438.db2.gz OZCCGKUUGXLXRG-IAGOWNOFSA-N 1 1 295.386 3.563 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000352338659 1127225390 /nfs/dbraw/zinc/22/53/90/1127225390.db2.gz UOJWZSAWQTUFRU-QGZVFWFLSA-N 1 1 286.419 3.860 20 30 CHEDMO C=CC[N@H+](Cc1occc1C)Cc1ccc(OC)cc1 ZINC000352376280 1127227652 /nfs/dbraw/zinc/22/76/52/1127227652.db2.gz MYZFGKAKWVLKEN-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=CC[N@@H+](Cc1occc1C)Cc1ccc(OC)cc1 ZINC000352376280 1127227654 /nfs/dbraw/zinc/22/76/54/1127227654.db2.gz MYZFGKAKWVLKEN-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352448567 1127233983 /nfs/dbraw/zinc/23/39/83/1127233983.db2.gz HXNRDFRVOXDXAM-LLVKDONJSA-N 1 1 266.747 3.729 20 30 CHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCCC ZINC001275112056 1127235634 /nfs/dbraw/zinc/23/56/34/1127235634.db2.gz XAXOQDDJYFBNGJ-GOSISDBHSA-N 1 1 292.467 3.600 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000285777312 1127243051 /nfs/dbraw/zinc/24/30/51/1127243051.db2.gz SJTPJDBGXGWLDX-MNOVXSKESA-N 1 1 287.313 3.643 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccco1 ZINC000286198231 1127262393 /nfs/dbraw/zinc/26/23/93/1127262393.db2.gz ROCMCLDSPXNLAH-CYBMUJFWSA-N 1 1 287.388 3.786 20 30 CHEDMO Cc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000353916656 1127278134 /nfs/dbraw/zinc/27/81/34/1127278134.db2.gz RAKJUPFWJZTOGO-MRXNPFEDSA-N 1 1 285.416 3.976 20 30 CHEDMO N#CC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000057875708 1127285250 /nfs/dbraw/zinc/28/52/50/1127285250.db2.gz ZFRPKUNUWWUWQR-UHFFFAOYSA-N 1 1 285.778 3.624 20 30 CHEDMO CCn1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)c1 ZINC000591032469 1127283235 /nfs/dbraw/zinc/28/32/35/1127283235.db2.gz DJPCHDYGRLTYQX-UHFFFAOYSA-N 1 1 273.424 3.804 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)nc1 ZINC000591039629 1127283927 /nfs/dbraw/zinc/28/39/27/1127283927.db2.gz QQOOPHVFPCJPMS-UHFFFAOYSA-N 1 1 271.408 3.686 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN([C@@H](C)CC)C2=O ZINC001275326596 1127308714 /nfs/dbraw/zinc/30/87/14/1127308714.db2.gz ZDGXTRLHMOKWLO-WMZOPIPTSA-N 1 1 292.467 3.598 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(C)c(Cl)cn1 ZINC001238424045 1131197051 /nfs/dbraw/zinc/19/70/51/1131197051.db2.gz VDDVBTBRWHVRPJ-UHFFFAOYSA-N 1 1 252.789 3.832 20 30 CHEDMO C[N@@H+](CCOc1cccc(Cl)c1)CCC(C)(C)C#N ZINC000157473257 1127317211 /nfs/dbraw/zinc/31/72/11/1127317211.db2.gz UMDAXGCQLIWHDO-UHFFFAOYSA-N 1 1 280.799 3.590 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000592154697 1127337720 /nfs/dbraw/zinc/33/77/20/1127337720.db2.gz TUMGTNTZTJVIMF-ARFHVFGLSA-N 1 1 273.424 3.578 20 30 CHEDMO CCC(CC)[N@H+](Cc1ccncc1C#N)CC(C)C ZINC000592071246 1127334264 /nfs/dbraw/zinc/33/42/64/1127334264.db2.gz DBAPKYUBNAZMEH-UHFFFAOYSA-N 1 1 259.397 3.600 20 30 CHEDMO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccncc2C#N)c(C)c1 ZINC000592064878 1127334461 /nfs/dbraw/zinc/33/44/61/1127334461.db2.gz WGSFXJULRAMMHT-OAHLLOKOSA-N 1 1 279.387 3.763 20 30 CHEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccncc2C#N)c(C)c1 ZINC000592064878 1127334464 /nfs/dbraw/zinc/33/44/64/1127334464.db2.gz WGSFXJULRAMMHT-OAHLLOKOSA-N 1 1 279.387 3.763 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000592071186 1127334964 /nfs/dbraw/zinc/33/49/64/1127334964.db2.gz CARJPNNGHAHDHV-QRQLOZEOSA-N 1 1 298.430 3.575 20 30 CHEDMO N#Cc1cnccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000592080517 1127335511 /nfs/dbraw/zinc/33/55/11/1127335511.db2.gz SRLDUPHANGUQLS-SFHVURJKSA-N 1 1 295.361 3.723 20 30 CHEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592116309 1127335594 /nfs/dbraw/zinc/33/55/94/1127335594.db2.gz ILBLBNMCYYQNIR-YJBOKZPZSA-N 1 1 291.398 3.640 20 30 CHEDMO N#Cc1cnccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000592080516 1127335917 /nfs/dbraw/zinc/33/59/17/1127335917.db2.gz SRLDUPHANGUQLS-GOSISDBHSA-N 1 1 295.361 3.723 20 30 CHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592125650 1127337279 /nfs/dbraw/zinc/33/72/79/1127337279.db2.gz ZBMWQXKPORSQTD-SFHVURJKSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592194653 1127338909 /nfs/dbraw/zinc/33/89/09/1127338909.db2.gz PVKDQSJIYYRBTC-OAHLLOKOSA-N 1 1 278.440 3.740 20 30 CHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000355446829 1127342102 /nfs/dbraw/zinc/34/21/02/1127342102.db2.gz LNZQANNVSOXPPR-MRXNPFEDSA-N 1 1 286.419 3.613 20 30 CHEDMO CC[N@@H+](CCC1CC1)Cc1cccc(OCCCC#N)c1 ZINC000355520712 1127346985 /nfs/dbraw/zinc/34/69/85/1127346985.db2.gz YEEBXGJDVMWRLH-UHFFFAOYSA-N 1 1 286.419 3.991 20 30 CHEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(C#N)nc2)c1 ZINC000592987331 1127366974 /nfs/dbraw/zinc/36/69/74/1127366974.db2.gz YGNGGRTYMZFTMM-AWEZNQCLSA-N 1 1 277.371 3.605 20 30 CHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CCCSCC#N ZINC000593046648 1127368907 /nfs/dbraw/zinc/36/89/07/1127368907.db2.gz QSWAUFGLWFNNEP-AWEZNQCLSA-N 1 1 294.489 3.746 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000593053922 1127370169 /nfs/dbraw/zinc/37/01/69/1127370169.db2.gz OIXFSZSBHQGRMJ-WMLDXEAASA-N 1 1 272.392 3.509 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000356055048 1127372991 /nfs/dbraw/zinc/37/29/91/1127372991.db2.gz KYBOWRGYIGEVDB-UHFFFAOYSA-N 1 1 270.298 3.807 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CC12CCC2 ZINC000357018619 1127386800 /nfs/dbraw/zinc/38/68/00/1127386800.db2.gz ALNKNPJVSKBMBN-CYBMUJFWSA-N 1 1 272.367 3.709 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593572207 1127390076 /nfs/dbraw/zinc/39/00/76/1127390076.db2.gz LBBWRNSINGHTQX-UHFFFAOYSA-N 1 1 285.391 3.980 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593572207 1127390079 /nfs/dbraw/zinc/39/00/79/1127390079.db2.gz LBBWRNSINGHTQX-UHFFFAOYSA-N 1 1 285.391 3.980 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCCC1 ZINC000593649855 1127392105 /nfs/dbraw/zinc/39/21/05/1127392105.db2.gz KZXGOVJZRMYSQO-UHFFFAOYSA-N 1 1 266.747 3.653 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2OCC2CC2)CCCC1 ZINC000593649953 1127392167 /nfs/dbraw/zinc/39/21/67/1127392167.db2.gz NOPFGOGHSNDECM-UHFFFAOYSA-N 1 1 284.403 3.649 20 30 CHEDMO CCc1cccc(F)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593655113 1127392762 /nfs/dbraw/zinc/39/27/62/1127392762.db2.gz WUSGBXHKWXFUBI-UHFFFAOYSA-N 1 1 260.356 3.562 20 30 CHEDMO N#Cc1ccc(COc2cc[nH+]c3c2CCCC3)c(F)c1 ZINC000594493447 1127418523 /nfs/dbraw/zinc/41/85/23/1127418523.db2.gz PBGZFLQJGOHELO-UHFFFAOYSA-N 1 1 282.318 3.550 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000594615163 1127426340 /nfs/dbraw/zinc/42/63/40/1127426340.db2.gz SJXHHIXBQHRRDU-MOPGFXCFSA-N 1 1 274.367 3.678 20 30 CHEDMO C=C(CC)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000358736159 1127432928 /nfs/dbraw/zinc/43/29/28/1127432928.db2.gz KWHYKMVVLCIVNO-UHFFFAOYSA-N 1 1 285.387 3.513 20 30 CHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000059371405 1127439511 /nfs/dbraw/zinc/43/95/11/1127439511.db2.gz RSUSHULNNNLJEG-CQSZACIVSA-N 1 1 298.361 3.769 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2)CCCCC1 ZINC000594993636 1127444259 /nfs/dbraw/zinc/44/42/59/1127444259.db2.gz DTXYJOVLWLUOIW-UHFFFAOYSA-N 1 1 264.319 3.528 20 30 CHEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081946 1127453348 /nfs/dbraw/zinc/45/33/48/1127453348.db2.gz UTXRPPOIWCIJSV-CRAIPNDOSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081946 1127453352 /nfs/dbraw/zinc/45/33/52/1127453352.db2.gz UTXRPPOIWCIJSV-CRAIPNDOSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[N@H+](Cc1nc(C)oc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295626 1127457287 /nfs/dbraw/zinc/45/72/87/1127457287.db2.gz NJVWKMYQYKRMCJ-LBPRGKRZSA-N 1 1 283.375 3.746 20 30 CHEDMO CC[N@@H+](Cc1nc(C)oc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295626 1127457290 /nfs/dbraw/zinc/45/72/90/1127457290.db2.gz NJVWKMYQYKRMCJ-LBPRGKRZSA-N 1 1 283.375 3.746 20 30 CHEDMO CCc1cccnc1[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092213 1127454620 /nfs/dbraw/zinc/45/46/20/1127454620.db2.gz ZHRNDTAIKGSNJT-CQSZACIVSA-N 1 1 271.408 3.769 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc2cnccc2o1 ZINC000595091983 1127454625 /nfs/dbraw/zinc/45/46/25/1127454625.db2.gz WAMNMBMTCSKHRA-ZDUSSCGKSA-N 1 1 283.375 3.952 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(C#N)cc1F ZINC000359254122 1127455153 /nfs/dbraw/zinc/45/51/53/1127455153.db2.gz ZHFNYXMMFFOXDG-WDEREUQCSA-N 1 1 287.313 3.643 20 30 CHEDMO COc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595097036 1127456086 /nfs/dbraw/zinc/45/60/86/1127456086.db2.gz GMYJISYWGSDFTH-CQSZACIVSA-N 1 1 272.392 3.820 20 30 CHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1cccs1 ZINC000595288862 1127457980 /nfs/dbraw/zinc/45/79/80/1127457980.db2.gz QMJDFCFJORWNLC-UHFFFAOYSA-N 1 1 270.401 3.684 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000359311341 1127458108 /nfs/dbraw/zinc/45/81/08/1127458108.db2.gz SWGPAZWHJSBOEU-DOMZBBRYSA-N 1 1 260.406 3.632 20 30 CHEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)o1)[C@H]2C ZINC000359308295 1127458407 /nfs/dbraw/zinc/45/84/07/1127458407.db2.gz ZEIRGVAZJFTFMZ-OLZOCXBDSA-N 1 1 296.370 3.668 20 30 CHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)o1)[C@H]2C ZINC000359308295 1127458410 /nfs/dbraw/zinc/45/84/10/1127458410.db2.gz 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CSc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620361 1127468856 /nfs/dbraw/zinc/46/88/56/1127468856.db2.gz MMKMMWZZFKXJQX-ZDUSSCGKSA-N 1 1 260.406 3.534 20 30 CHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621518 1127468950 /nfs/dbraw/zinc/46/89/50/1127468950.db2.gz VXBPTPSJLIHBTM-KGLIPLIRSA-N 1 1 287.363 3.590 20 30 CHEDMO CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623653 1127469040 /nfs/dbraw/zinc/46/90/40/1127469040.db2.gz WHHMARLRUCMLQP-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623653 1127469041 /nfs/dbraw/zinc/46/90/41/1127469041.db2.gz WHHMARLRUCMLQP-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000595613553 1127470063 /nfs/dbraw/zinc/47/00/63/1127470063.db2.gz FHUVEIWZONRIMH-MRXNPFEDSA-N 1 1 294.398 3.844 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611692 1127470650 /nfs/dbraw/zinc/47/06/50/1127470650.db2.gz MWZWNPKZQUQNSG-NWDGAFQWSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611692 1127470652 /nfs/dbraw/zinc/47/06/52/1127470652.db2.gz MWZWNPKZQUQNSG-NWDGAFQWSA-N 1 1 264.319 3.651 20 30 CHEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000595758811 1127474160 /nfs/dbraw/zinc/47/41/60/1127474160.db2.gz HIWCZSIOBJFZHI-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595703689 1127472746 /nfs/dbraw/zinc/47/27/46/1127472746.db2.gz NJCHSZWEBWFEDI-OAHLLOKOSA-N 1 1 260.356 3.902 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595705870 1127473132 /nfs/dbraw/zinc/47/31/32/1127473132.db2.gz XGZIMKAOAONWJO-SFHVURJKSA-N 1 1 280.346 3.953 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595705870 1127473135 /nfs/dbraw/zinc/47/31/35/1127473135.db2.gz XGZIMKAOAONWJO-SFHVURJKSA-N 1 1 280.346 3.953 20 30 CHEDMO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCCCC#N ZINC000595758911 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ZINC000602711919 1127607567 /nfs/dbraw/zinc/60/75/67/1127607567.db2.gz SBHRNZHDWQJCBY-YJBOKZPZSA-N 1 1 286.419 3.598 20 30 CHEDMO COc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000602709986 1127608027 /nfs/dbraw/zinc/60/80/27/1127608027.db2.gz UFNVLGCQEXKBLR-HZPDHXFCSA-N 1 1 286.419 3.999 20 30 CHEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000602827165 1127615854 /nfs/dbraw/zinc/61/58/54/1127615854.db2.gz ATSSHVLGODFTDS-TXEJJXNPSA-N 1 1 274.330 3.733 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602855944 1127617925 /nfs/dbraw/zinc/61/79/25/1127617925.db2.gz QRTKFLLZMLTFPL-BEFAXECRSA-N 1 1 291.398 3.894 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC1(CC#N)CC1 ZINC000602776652 1127612816 /nfs/dbraw/zinc/61/28/16/1127612816.db2.gz AFVLFKJPNVJMCY-HOCLYGCPSA-N 1 1 254.377 3.558 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(F)(F)F)CC1(CC#N)CC1 ZINC000602766687 1127613438 /nfs/dbraw/zinc/61/34/38/1127613438.db2.gz PEEODZPXOAZKRY-UHFFFAOYSA-N 1 1 282.309 3.831 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CC[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000362385004 1127631667 /nfs/dbraw/zinc/63/16/67/1127631667.db2.gz QACCIOLMYNVXJO-INIZCTEOSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[C@@H](NCCC[N@H+](C)CC(C)C)c1ccc(C#N)cc1 ZINC000593717125 1127665201 /nfs/dbraw/zinc/66/52/01/1127665201.db2.gz YAEGAOBKDBXIDF-GOSISDBHSA-N 1 1 287.451 3.577 20 30 CHEDMO CC[C@@H](NCCC[N@@H+](C)CC(C)C)c1ccc(C#N)cc1 ZINC000593717125 1127665203 /nfs/dbraw/zinc/66/52/03/1127665203.db2.gz YAEGAOBKDBXIDF-GOSISDBHSA-N 1 1 287.451 3.577 20 30 CHEDMO CCO[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000599303355 1127667504 /nfs/dbraw/zinc/66/75/04/1127667504.db2.gz BOIDBBDAGMHRKH-CEXWTWQISA-N 1 1 298.430 3.573 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1C#N ZINC000599337473 1127669104 /nfs/dbraw/zinc/66/91/04/1127669104.db2.gz XDGKXEGFNKAKHQ-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1C#N ZINC000599364543 1127669999 /nfs/dbraw/zinc/66/99/99/1127669999.db2.gz 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CC#CC[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747175 1127824671 /nfs/dbraw/zinc/82/46/71/1127824671.db2.gz SBKOGIGBZWHSBO-UHFFFAOYSA-N 1 1 253.389 3.729 20 30 CHEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000373268498 1127830642 /nfs/dbraw/zinc/83/06/42/1127830642.db2.gz CZPYOELLULRDOS-CQSZACIVSA-N 1 1 263.385 3.651 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000373268498 1127830649 /nfs/dbraw/zinc/83/06/49/1127830649.db2.gz CZPYOELLULRDOS-CQSZACIVSA-N 1 1 263.385 3.651 20 30 CHEDMO N#CC1(CC[N@H+]2CCc3sccc3C2)CCCCC1 ZINC000411146439 1127842837 /nfs/dbraw/zinc/84/28/37/1127842837.db2.gz UTZNPBRADQGJJJ-UHFFFAOYSA-N 1 1 274.433 3.970 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1cnc(C)cn1 ZINC000411178640 1127846033 /nfs/dbraw/zinc/84/60/33/1127846033.db2.gz MQJBXGCWVZGRLC-OAHLLOKOSA-N 1 1 297.402 3.543 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1cnc(C)cn1 ZINC000411178640 1127846037 /nfs/dbraw/zinc/84/60/37/1127846037.db2.gz MQJBXGCWVZGRLC-OAHLLOKOSA-N 1 1 297.402 3.543 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000411178144 1127846444 /nfs/dbraw/zinc/84/64/44/1127846444.db2.gz KVIUTVNWOMWGCD-ZDUSSCGKSA-N 1 1 280.799 3.733 20 30 CHEDMO CCC[N@H+](C)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411310938 1127852589 /nfs/dbraw/zinc/85/25/89/1127852589.db2.gz VYNOJDNODLCPPH-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411310938 1127852594 /nfs/dbraw/zinc/85/25/94/1127852594.db2.gz VYNOJDNODLCPPH-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCS1 ZINC000411304090 1127852867 /nfs/dbraw/zinc/85/28/67/1127852867.db2.gz VWGQOBKNXPXXND-CQSZACIVSA-N 1 1 266.454 3.678 20 30 CHEDMO CC(C)[N@@H+](CCC1(C#N)CCCCC1)C1CCOCC1 ZINC000411385151 1127857302 /nfs/dbraw/zinc/85/73/02/1127857302.db2.gz ICMYHRUVWFUKCO-UHFFFAOYSA-N 1 1 278.440 3.740 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000411545839 1127863783 /nfs/dbraw/zinc/86/37/83/1127863783.db2.gz ROIHIOLXCZILAK-GFCCVEGCSA-N 1 1 276.330 3.746 20 30 CHEDMO C[C@H](CCC#N)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000411545839 1127863786 /nfs/dbraw/zinc/86/37/86/1127863786.db2.gz ROIHIOLXCZILAK-GFCCVEGCSA-N 1 1 276.330 3.746 20 30 CHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@H](C)CCC#N)C2)cc1 ZINC000411683790 1127869345 /nfs/dbraw/zinc/86/93/45/1127869345.db2.gz HPYVTYSPQNJRKT-BFYDXBDKSA-N 1 1 256.393 3.865 20 30 CHEDMO Cc1ccncc1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411673271 1127868826 /nfs/dbraw/zinc/86/88/26/1127868826.db2.gz WKFAXZMOPRHGAG-UHFFFAOYSA-N 1 1 271.408 3.686 20 30 CHEDMO Cc1ccc([C@@]2(C)CC[N@H+]([C@H](C)CCC#N)C2)cc1 ZINC000411675039 1127869608 /nfs/dbraw/zinc/86/96/08/1127869608.db2.gz OMDVELILXJRHLQ-WBVHZDCISA-N 1 1 256.393 3.651 20 30 CHEDMO CO[C@@]1(C)CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411669070 1127869642 /nfs/dbraw/zinc/86/96/42/1127869642.db2.gz QHDZNQXFMCTLJO-INIZCTEOSA-N 1 1 278.440 3.742 20 30 CHEDMO N#CCC[C@@H](C#N)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411993824 1127884882 /nfs/dbraw/zinc/88/48/82/1127884882.db2.gz XWHNGHOIOBJRSD-WMZOPIPTSA-N 1 1 293.414 3.700 20 30 CHEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411993349 1127885112 /nfs/dbraw/zinc/88/51/12/1127885112.db2.gz WUVUEQOKRAXPRR-QGZVFWFLSA-N 1 1 268.404 3.950 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374282678 1127885159 /nfs/dbraw/zinc/88/51/59/1127885159.db2.gz GOSYLRSMUVRSID-UHFFFAOYSA-N 1 1 293.414 3.977 20 30 CHEDMO N#CCCCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411998413 1127886744 /nfs/dbraw/zinc/88/67/44/1127886744.db2.gz KXPCIOQAUHMXQA-QGZVFWFLSA-N 1 1 284.403 3.534 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1Cl ZINC000412049028 1127894703 /nfs/dbraw/zinc/89/47/03/1127894703.db2.gz XNNWGZAHPQQELT-UHFFFAOYSA-N 1 1 280.799 3.720 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412077842 1127894787 /nfs/dbraw/zinc/89/47/87/1127894787.db2.gz UAYSQGZCAMZELY-CABCVRRESA-N 1 1 294.439 3.513 20 30 CHEDMO C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000608976587 1127896132 /nfs/dbraw/zinc/89/61/32/1127896132.db2.gz AJANMGNLCUQCGM-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000516577396 1127901433 /nfs/dbraw/zinc/90/14/33/1127901433.db2.gz XEFLYGRKALWQQO-KRWDZBQOSA-N 1 1 259.393 3.643 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000509704265 1127904808 /nfs/dbraw/zinc/90/48/08/1127904808.db2.gz LNSYAEGQULBSJS-QGZVFWFLSA-N 1 1 258.409 3.856 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)cnc1C ZINC001232991261 1127907270 /nfs/dbraw/zinc/90/72/70/1127907270.db2.gz WZIIMDIQFLJCKB-UHFFFAOYSA-N 1 1 270.351 3.717 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cnc1C ZINC001232991261 1127907273 /nfs/dbraw/zinc/90/72/73/1127907273.db2.gz WZIIMDIQFLJCKB-UHFFFAOYSA-N 1 1 270.351 3.717 20 30 CHEDMO N#CCCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374537027 1127902792 /nfs/dbraw/zinc/90/27/92/1127902792.db2.gz KRSHCIXQYQAUTP-LBPRGKRZSA-N 1 1 274.330 3.735 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCC12CCCCC2 ZINC000535443287 1127915829 /nfs/dbraw/zinc/91/58/29/1127915829.db2.gz UBCLWZOTIPMBND-UHFFFAOYSA-N 1 1 272.367 3.996 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000442899736 1127920699 /nfs/dbraw/zinc/92/06/99/1127920699.db2.gz QPDJMGVLOODOLF-CJNGLKHVSA-N 1 1 256.393 3.987 20 30 CHEDMO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000539451289 1127923659 /nfs/dbraw/zinc/92/36/59/1127923659.db2.gz LCMPSEXLYOTWPP-NVXWUHKLSA-N 1 1 268.404 3.806 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001233080759 1127924316 /nfs/dbraw/zinc/92/43/16/1127924316.db2.gz WBWVUXORMCZKBT-CYBMUJFWSA-N 1 1 278.346 3.734 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)ccc1OC ZINC000539820690 1127943268 /nfs/dbraw/zinc/94/32/68/1127943268.db2.gz CZGIOUVGHZHCEN-LSDHHAIUSA-N 1 1 289.419 3.880 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@H]2CCCC[C@@H]12 ZINC000543893482 1127951351 /nfs/dbraw/zinc/95/13/51/1127951351.db2.gz VOGNKIIKCBLWLU-KCXAZCMYSA-N 1 1 272.367 3.708 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc2nccn21 ZINC001233362391 1127956447 /nfs/dbraw/zinc/95/64/47/1127956447.db2.gz AFWWFJWXJXIVJU-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000467387757 1127967442 /nfs/dbraw/zinc/96/74/42/1127967442.db2.gz IHPWZCHBFHXKDE-UHFFFAOYSA-N 1 1 299.370 3.741 20 30 CHEDMO C=CCC[N@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000467287536 1127962500 /nfs/dbraw/zinc/96/25/00/1127962500.db2.gz BWQJZVPNFJVRPD-UHFFFAOYSA-N 1 1 256.349 3.658 20 30 CHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000467282934 1127962574 /nfs/dbraw/zinc/96/25/74/1127962574.db2.gz FKKIFWHMMJDIMX-UHFFFAOYSA-N 1 1 276.380 3.957 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000540216089 1127969563 /nfs/dbraw/zinc/96/95/63/1127969563.db2.gz YUOAMLXKVUNGSU-ZDUSSCGKSA-N 1 1 264.438 3.981 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000540295792 1127972588 /nfs/dbraw/zinc/97/25/88/1127972588.db2.gz CUSNPHLIEUOKJL-HNNXBMFYSA-N 1 1 274.408 3.610 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540335762 1127974950 /nfs/dbraw/zinc/97/49/50/1127974950.db2.gz FVOMPOWDBZOUJI-ZDUSSCGKSA-N 1 1 274.364 3.698 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000540339021 1127975979 /nfs/dbraw/zinc/97/59/79/1127975979.db2.gz LTCLCUVCAFCFOQ-YOEHRIQHSA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000540339021 1127975980 /nfs/dbraw/zinc/97/59/80/1127975980.db2.gz LTCLCUVCAFCFOQ-YOEHRIQHSA-N 1 1 277.383 3.944 20 30 CHEDMO C=CC[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000544600317 1127978683 /nfs/dbraw/zinc/97/86/83/1127978683.db2.gz MVTKOCXKXXCPMS-UHFFFAOYSA-N 1 1 257.377 3.551 20 30 CHEDMO C[C@H](CCc1ccccc1)C[N@@H+](CCC#N)CC1CC1 ZINC000540497092 1127980870 /nfs/dbraw/zinc/98/08/70/1127980870.db2.gz ISRDWMUVUXPUDW-MRXNPFEDSA-N 1 1 270.420 3.881 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC)CC(C)C)cc1OC ZINC000507133126 1127991048 /nfs/dbraw/zinc/99/10/48/1127991048.db2.gz ZBHAIMYWPQXYMC-UHFFFAOYSA-N 1 1 277.408 3.738 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468282174 1128000997 /nfs/dbraw/zinc/00/09/97/1128000997.db2.gz OYHYKSIZNDPGEN-HNNXBMFYSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468271858 1128001466 /nfs/dbraw/zinc/00/14/66/1128001466.db2.gz QRMCJDYKKNAASE-SUYBPPKGSA-N 1 1 272.367 3.850 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)OC)C(C)(C)C)cc1 ZINC000541072546 1128006629 /nfs/dbraw/zinc/00/66/29/1128006629.db2.gz MSNLTUQCKCPJOE-HNNXBMFYSA-N 1 1 291.435 3.887 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)s2)CCS1 ZINC000468543651 1128011846 /nfs/dbraw/zinc/01/18/46/1128011846.db2.gz SFISCHXEIITFMJ-UHFFFAOYSA-N 1 1 280.462 3.727 20 30 CHEDMO N#CCc1ccc(CNc2cccc3cc[nH+]cc32)cc1 ZINC000541291759 1128015753 /nfs/dbraw/zinc/01/57/53/1128015753.db2.gz YAXSYKQULPOCTN-UHFFFAOYSA-N 1 1 273.339 3.913 20 30 CHEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCC1CC1 ZINC000545520414 1128018801 /nfs/dbraw/zinc/01/88/01/1128018801.db2.gz PAWAGSCAAGMZQV-UHFFFAOYSA-N 1 1 261.796 3.814 20 30 CHEDMO CC(C)c1ccc(CC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000469051805 1128033748 /nfs/dbraw/zinc/03/37/48/1128033748.db2.gz QHVUZRPZDBWWMU-OAHLLOKOSA-N 1 1 270.420 3.977 20 30 CHEDMO CC(C)c1ccc(CC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000469051805 1128033753 /nfs/dbraw/zinc/03/37/53/1128033753.db2.gz QHVUZRPZDBWWMU-OAHLLOKOSA-N 1 1 270.420 3.977 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2F)CC2CC2)nc1 ZINC000595768319 1128036818 /nfs/dbraw/zinc/03/68/18/1128036818.db2.gz YIFLXVBFAQBUAU-UHFFFAOYSA-N 1 1 295.361 3.505 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)nc1 ZINC000595768319 1128036822 /nfs/dbraw/zinc/03/68/22/1128036822.db2.gz YIFLXVBFAQBUAU-UHFFFAOYSA-N 1 1 295.361 3.505 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469453383 1128043875 /nfs/dbraw/zinc/04/38/75/1128043875.db2.gz YHZGUVDCJJQPME-GFCCVEGCSA-N 1 1 251.320 3.720 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542278650 1128060924 /nfs/dbraw/zinc/06/09/24/1128060924.db2.gz DKVBRNFYTROENT-OLMNPRSZSA-N 1 1 268.404 3.906 20 30 CHEDMO CC(C)(C)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542315475 1128063213 /nfs/dbraw/zinc/06/32/13/1128063213.db2.gz IKUBCSIXGHIKCM-UHFFFAOYSA-N 1 1 256.393 3.959 20 30 CHEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000470177813 1128065271 /nfs/dbraw/zinc/06/52/71/1128065271.db2.gz UMMHEJCEIWWYEK-CZAWJFPGSA-N 1 1 299.374 3.622 20 30 CHEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000470177813 1128065274 /nfs/dbraw/zinc/06/52/74/1128065274.db2.gz UMMHEJCEIWWYEK-CZAWJFPGSA-N 1 1 299.374 3.622 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000470766242 1128076448 /nfs/dbraw/zinc/07/64/48/1128076448.db2.gz QNMNOLMFEDPANO-KRWDZBQOSA-N 1 1 261.409 3.532 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000470782072 1128076896 /nfs/dbraw/zinc/07/68/96/1128076896.db2.gz PSXQSFIGEGQYAT-YOEHRIQHSA-N 1 1 277.383 3.801 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000470775257 1128077120 /nfs/dbraw/zinc/07/71/20/1128077120.db2.gz WSKZRFZNKSLSNW-GOSISDBHSA-N 1 1 273.420 3.595 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000470775548 1128077283 /nfs/dbraw/zinc/07/72/83/1128077283.db2.gz ZFQKSLJJVWKSQU-YOEHRIQHSA-N 1 1 277.383 3.801 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000470779809 1128077289 /nfs/dbraw/zinc/07/72/89/1128077289.db2.gz CRZPKFMBKHNOGG-SJLPKXTDSA-N 1 1 273.420 3.532 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925026189 1128119148 /nfs/dbraw/zinc/11/91/48/1128119148.db2.gz DMVBZAAWAJPZNF-AWEZNQCLSA-N 1 1 298.386 3.506 20 30 CHEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(C#N)cc1F ZINC000152384489 1128118875 /nfs/dbraw/zinc/11/88/75/1128118875.db2.gz ZSRLJBVHJFRIJL-UHFFFAOYSA-N 1 1 297.377 3.992 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000487664883 1128122508 /nfs/dbraw/zinc/12/25/08/1128122508.db2.gz HDCFSOOAWJDRBD-INIZCTEOSA-N 1 1 294.398 3.939 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](C)CCc1ncc(C)s1 ZINC000089266629 1128122609 /nfs/dbraw/zinc/12/26/09/1128122609.db2.gz DCXBSVZEUCTANL-LBPRGKRZSA-N 1 1 252.427 3.671 20 30 CHEDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000487673199 1128124102 /nfs/dbraw/zinc/12/41/02/1128124102.db2.gz IMIYGIORYKWGKS-INIZCTEOSA-N 1 1 294.398 3.939 20 30 CHEDMO N#CC1CCC(C[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000929813939 1128152866 /nfs/dbraw/zinc/15/28/66/1128152866.db2.gz HLQNYCGGTZQQEH-ABHNRTSZSA-N 1 1 268.404 3.633 20 30 CHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000926343272 1128167801 /nfs/dbraw/zinc/16/78/01/1128167801.db2.gz PLXBMOOOEXZRRP-DZKIICNBSA-N 1 1 295.373 3.738 20 30 CHEDMO C=CCCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000494461361 1128174258 /nfs/dbraw/zinc/17/42/58/1128174258.db2.gz PFCXMTIDZGQILB-UHFFFAOYSA-N 1 1 286.419 3.953 20 30 CHEDMO Cc1ncc(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)s1 ZINC000929287996 1128268270 /nfs/dbraw/zinc/26/82/70/1128268270.db2.gz NISCJOHNPBBHKW-UHFFFAOYSA-N 1 1 291.807 3.609 20 30 CHEDMO Cc1ncc(C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)s1 ZINC000929287996 1128268273 /nfs/dbraw/zinc/26/82/73/1128268273.db2.gz NISCJOHNPBBHKW-UHFFFAOYSA-N 1 1 291.807 3.609 20 30 CHEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cncc(C#N)c2)c(C)c1 ZINC000929324250 1128269000 /nfs/dbraw/zinc/26/90/00/1128269000.db2.gz AODOAFYRPHJSNN-HNNXBMFYSA-N 1 1 279.387 3.763 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000929314673 1128269044 /nfs/dbraw/zinc/26/90/44/1128269044.db2.gz CQTKWIXMZFNHKP-UHFFFAOYSA-N 1 1 297.446 3.529 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)no1 ZINC000929186401 1128263392 /nfs/dbraw/zinc/26/33/92/1128263392.db2.gz RLFFKJKSXRTPGO-SFHVURJKSA-N 1 1 295.386 3.809 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(C)cc(C#N)cc2C)no1 ZINC000929186401 1128263393 /nfs/dbraw/zinc/26/33/93/1128263393.db2.gz RLFFKJKSXRTPGO-SFHVURJKSA-N 1 1 295.386 3.809 20 30 CHEDMO COc1ccccc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929209996 1128264258 /nfs/dbraw/zinc/26/42/58/1128264258.db2.gz WFWJOXJPMFJYMY-UHFFFAOYSA-N 1 1 286.419 3.991 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCC3CCCC3)CCO2)c1 ZINC000761767593 1128211844 /nfs/dbraw/zinc/21/18/44/1128211844.db2.gz ZVXHAYOHNILGCL-IBGZPJMESA-N 1 1 298.430 3.902 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCC3CCCC3)CCO2)c1 ZINC000761767593 1128211848 /nfs/dbraw/zinc/21/18/48/1128211848.db2.gz ZVXHAYOHNILGCL-IBGZPJMESA-N 1 1 298.430 3.902 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC1(Cl)Cl ZINC000914595792 1128215859 /nfs/dbraw/zinc/21/58/59/1128215859.db2.gz KICHRZWEJVONFT-CYBMUJFWSA-N 1 1 270.203 3.868 20 30 CHEDMO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001168479708 1128241467 /nfs/dbraw/zinc/24/14/67/1128241467.db2.gz LAYJBMQXNZMHQF-AWEZNQCLSA-N 1 1 294.373 3.687 20 30 CHEDMO CC[N@@H+](CCc1ccns1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334337 1128270058 /nfs/dbraw/zinc/27/00/58/1128270058.db2.gz VQTWOGFTACHVLP-ZDUSSCGKSA-N 1 1 285.416 3.640 20 30 CHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000929345159 1128271145 /nfs/dbraw/zinc/27/11/45/1128271145.db2.gz ZASNOHAAYWZSFH-LOTPSLMQSA-N 1 1 298.430 3.778 20 30 CHEDMO C[C@@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000929366968 1128271818 /nfs/dbraw/zinc/27/18/18/1128271818.db2.gz HXYWWGACSHEIQF-HWWDLCQESA-N 1 1 298.430 3.726 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2cncc(C#N)c2)C1 ZINC000929680494 1128282638 /nfs/dbraw/zinc/28/26/38/1128282638.db2.gz PWEBHVVVABDUNG-YJBOKZPZSA-N 1 1 291.398 3.640 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1snnc1C ZINC000929693164 1128282679 /nfs/dbraw/zinc/28/26/79/1128282679.db2.gz BTLCANUAYWBVPU-GFCCVEGCSA-N 1 1 253.415 3.586 20 30 CHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCC1CCOCC1 ZINC000929825521 1128289049 /nfs/dbraw/zinc/28/90/49/1128289049.db2.gz JFJFJKQRCNNWQC-UHFFFAOYSA-N 1 1 278.440 3.599 20 30 CHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cncc(C#N)c2)o1 ZINC000929757870 1128285562 /nfs/dbraw/zinc/28/55/62/1128285562.db2.gz BDKONSQGTLAXKQ-GUYCJALGSA-N 1 1 295.386 3.828 20 30 CHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cncc(C#N)c2)o1 ZINC000929757870 1128285564 /nfs/dbraw/zinc/28/55/64/1128285564.db2.gz BDKONSQGTLAXKQ-GUYCJALGSA-N 1 1 295.386 3.828 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC000929835529 1128290369 /nfs/dbraw/zinc/29/03/69/1128290369.db2.gz RSKTXPHETDTLDD-UHFFFAOYSA-N 1 1 297.377 3.893 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000929884849 1128291928 /nfs/dbraw/zinc/29/19/28/1128291928.db2.gz HXQQBZOQCSRPBV-INIZCTEOSA-N 1 1 285.778 3.877 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000929884849 1128291930 /nfs/dbraw/zinc/29/19/30/1128291930.db2.gz HXQQBZOQCSRPBV-INIZCTEOSA-N 1 1 285.778 3.877 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](C)c1cccnc1 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C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000472576752 1119967743 /nfs/dbraw/zinc/96/77/43/1119967743.db2.gz HWIKVSKODYFKHZ-HZPDHXFCSA-N 1 1 261.409 3.623 20 30 CHEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1C#N ZINC001137704924 1119979027 /nfs/dbraw/zinc/97/90/27/1119979027.db2.gz ZPPSEXUWOWAGIL-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1C#N ZINC001137704924 1119979029 /nfs/dbraw/zinc/97/90/29/1119979029.db2.gz ZPPSEXUWOWAGIL-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000472589468 1119987653 /nfs/dbraw/zinc/98/76/53/1119987653.db2.gz JHLIXMXCOVYEQR-CJNGLKHVSA-N 1 1 281.827 3.530 20 30 CHEDMO CCCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000180896399 1120017805 /nfs/dbraw/zinc/01/78/05/1120017805.db2.gz MMJARSZZLGOBQN-UHFFFAOYSA-N 1 1 281.197 3.553 20 30 CHEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000120147842 1120028919 /nfs/dbraw/zinc/02/89/19/1120028919.db2.gz AMGGDEZMTXXNHA-ZDUSSCGKSA-N 1 1 298.361 3.865 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCC#N)C1(CC)CC ZINC000177404786 1120035987 /nfs/dbraw/zinc/03/59/87/1120035987.db2.gz PIVGGGXDDPOBTM-HUUCEWRRSA-N 1 1 266.429 3.596 20 30 CHEDMO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)C#N)CCS2 ZINC000903101861 1120069174 /nfs/dbraw/zinc/06/91/74/1120069174.db2.gz ODLARFVGNHABJN-AWEZNQCLSA-N 1 1 274.433 3.980 20 30 CHEDMO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2[nH+]ccn2c1 ZINC001167710848 1120078156 /nfs/dbraw/zinc/07/81/56/1120078156.db2.gz RHQZFHJPUWSAEA-ZDUSSCGKSA-N 1 1 276.343 3.688 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069610801 1128889535 /nfs/dbraw/zinc/88/95/35/1128889535.db2.gz YJKOHIWZWLJKSQ-CYBMUJFWSA-N 1 1 251.757 3.585 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069610801 1128889543 /nfs/dbraw/zinc/88/95/43/1128889543.db2.gz YJKOHIWZWLJKSQ-CYBMUJFWSA-N 1 1 251.757 3.585 20 30 CHEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000301615081 1120142544 /nfs/dbraw/zinc/14/25/44/1120142544.db2.gz UWUFRLKJIBCOGB-CYBMUJFWSA-N 1 1 291.826 3.601 20 30 CHEDMO C=CCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001205032021 1120153272 /nfs/dbraw/zinc/15/32/72/1120153272.db2.gz UNZXVVRGULHCFS-UHFFFAOYSA-N 1 1 279.383 3.663 20 30 CHEDMO C=C(C)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374411 1120154647 /nfs/dbraw/zinc/15/46/47/1120154647.db2.gz AAMNVBFSSIISOM-UHFFFAOYSA-N 1 1 287.382 3.656 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc2ccccc12 ZINC000387901249 1120156421 /nfs/dbraw/zinc/15/64/21/1120156421.db2.gz UTLZBTBYCLBHBO-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC001116552764 1120158779 /nfs/dbraw/zinc/15/87/79/1120158779.db2.gz OBOCUBLDFTWZBO-IAGOWNOFSA-N 1 1 273.420 3.950 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000472747769 1120159017 /nfs/dbraw/zinc/15/90/17/1120159017.db2.gz IPSGVPDHVZDNCK-ZWKOTPCHSA-N 1 1 273.420 3.931 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000472747765 1120159693 /nfs/dbraw/zinc/15/96/93/1120159693.db2.gz IPSGVPDHVZDNCK-MSOLQXFVSA-N 1 1 273.420 3.931 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000472761358 1120163730 /nfs/dbraw/zinc/16/37/30/1120163730.db2.gz DWDAMJVKVQPDEU-CVEARBPZSA-N 1 1 261.409 3.623 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000472782676 1120175437 /nfs/dbraw/zinc/17/54/37/1120175437.db2.gz CNENCDBBTOIKSE-CQSZACIVSA-N 1 1 288.218 3.752 20 30 CHEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000153787231 1120176907 /nfs/dbraw/zinc/17/69/07/1120176907.db2.gz TZGZKPSVNJSMDQ-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303554393 1120177887 /nfs/dbraw/zinc/17/78/87/1120177887.db2.gz KCVGAQYGEOUYMR-GOSISDBHSA-N 1 1 266.388 3.881 20 30 CHEDMO N#CC1(C[NH2+]Cc2csc(Br)c2)CCCC1 ZINC000405086657 1120188574 /nfs/dbraw/zinc/18/85/74/1120188574.db2.gz NXXRIXRYYJURFG-UHFFFAOYSA-N 1 1 299.237 3.684 20 30 CHEDMO N#Cc1cc(C[NH2+]C2(c3nccs3)CCCC2)cs1 ZINC000921750748 1120196290 /nfs/dbraw/zinc/19/62/90/1120196290.db2.gz YSWHHMPBTBWATI-UHFFFAOYSA-N 1 1 289.429 3.635 20 30 CHEDMO N#Cc1cc(C[NH2+]Cc2ccccc2OCC2CC2)cs1 ZINC000921768638 1120206297 /nfs/dbraw/zinc/20/62/97/1120206297.db2.gz KNGDJZSHMZHAPN-UHFFFAOYSA-N 1 1 298.411 3.698 20 30 CHEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000460969076 1120210296 /nfs/dbraw/zinc/21/02/96/1120210296.db2.gz JVQQZRZARWMIGP-KRWDZBQOSA-N 1 1 282.431 3.978 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CC12CCC2 ZINC000341150787 1120239180 /nfs/dbraw/zinc/23/91/80/1120239180.db2.gz XWKLDBUFTNFYDV-ZDUSSCGKSA-N 1 1 272.367 3.709 20 30 CHEDMO COc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000341187294 1120244454 /nfs/dbraw/zinc/24/44/54/1120244454.db2.gz BXPLHDLKHGYMDH-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000075683820 1120263940 /nfs/dbraw/zinc/26/39/40/1120263940.db2.gz VCMWVCIITOPHJF-CYBMUJFWSA-N 1 1 279.387 3.574 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccsc1 ZINC000678126239 1120271968 /nfs/dbraw/zinc/27/19/68/1120271968.db2.gz KKRZDVVBIQNRJQ-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccsc1 ZINC000678126239 1120271971 /nfs/dbraw/zinc/27/19/71/1120271971.db2.gz KKRZDVVBIQNRJQ-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751256 1120273477 /nfs/dbraw/zinc/27/34/77/1120273477.db2.gz SFCIKOCVAKDFFE-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO CSC[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930558686 1120277643 /nfs/dbraw/zinc/27/76/43/1120277643.db2.gz IHPXFTCWMLVMIV-HNNXBMFYSA-N 1 1 280.481 3.926 20 30 CHEDMO N#CCC[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1 ZINC000921922022 1120283244 /nfs/dbraw/zinc/28/32/44/1120283244.db2.gz DVYPKWBKIBVEFV-GOSISDBHSA-N 1 1 294.402 3.743 20 30 CHEDMO C[N@@H+](Cc1csc2ccccc12)C[C@@H](C#N)CCC#N ZINC000076494819 1120285461 /nfs/dbraw/zinc/28/54/61/1120285461.db2.gz IUTGKYUYSPXRIC-CYBMUJFWSA-N 1 1 283.400 3.777 20 30 CHEDMO C[N@H+](Cc1csc2ccccc12)C[C@@H](C#N)CCC#N ZINC000076494819 1120285465 /nfs/dbraw/zinc/28/54/65/1120285465.db2.gz IUTGKYUYSPXRIC-CYBMUJFWSA-N 1 1 283.400 3.777 20 30 CHEDMO C=CCCC[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000076735885 1120294024 /nfs/dbraw/zinc/29/40/24/1120294024.db2.gz BUDYIGGNAVYBRK-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO C=CCCC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000076737138 1120294230 /nfs/dbraw/zinc/29/42/30/1120294230.db2.gz XKVXHNOAPGYHHY-UHFFFAOYSA-N 1 1 274.339 3.879 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001118945002 1131243487 /nfs/dbraw/zinc/24/34/87/1131243487.db2.gz WLLVMDCHWOVHJO-OAHLLOKOSA-N 1 1 267.376 3.617 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001118945002 1131243490 /nfs/dbraw/zinc/24/34/90/1131243490.db2.gz WLLVMDCHWOVHJO-OAHLLOKOSA-N 1 1 267.376 3.617 20 30 CHEDMO CCc1cc(C[N@H+]2CCCCC23CC3)ccc1C#N ZINC001238768443 1131243686 /nfs/dbraw/zinc/24/36/86/1131243686.db2.gz IVUHIQXRQWCLSS-UHFFFAOYSA-N 1 1 254.377 3.639 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C[C@H]1C ZINC001141106722 1120354036 /nfs/dbraw/zinc/35/40/36/1120354036.db2.gz GFPDBEPYNOBRQC-VHSXEESVSA-N 1 1 297.855 3.723 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000066853210 1120414696 /nfs/dbraw/zinc/41/46/96/1120414696.db2.gz XKAQNTPBROIXJX-DNVCBOLYSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000066853210 1120414698 /nfs/dbraw/zinc/41/46/98/1120414698.db2.gz XKAQNTPBROIXJX-DNVCBOLYSA-N 1 1 292.382 3.520 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(CC#N)cc1 ZINC000543132280 1120439187 /nfs/dbraw/zinc/43/91/87/1120439187.db2.gz USABUXRMOFPZHP-UHFFFAOYSA-N 1 1 284.428 3.879 20 30 CHEDMO N#CC1(CCCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)CCC1 ZINC000930865795 1120455103 /nfs/dbraw/zinc/45/51/03/1120455103.db2.gz GSEFDYKYXWZVJF-CQSZACIVSA-N 1 1 268.351 3.582 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206551 1120462965 /nfs/dbraw/zinc/46/29/65/1120462965.db2.gz RPJWPVBYQVMKTA-CABCVRRESA-N 1 1 256.393 3.763 20 30 CHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC2(CCCCC2)O1 ZINC000930893660 1120469474 /nfs/dbraw/zinc/46/94/74/1120469474.db2.gz HMIZJYUSMHHCGO-KLAILNCOSA-N 1 1 290.451 3.740 20 30 CHEDMO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000925616285 1120470692 /nfs/dbraw/zinc/47/06/92/1120470692.db2.gz LTEUSLVUULSFGB-ZACQAIPSSA-N 1 1 285.435 3.527 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000426457654 1120471813 /nfs/dbraw/zinc/47/18/13/1120471813.db2.gz YRDSCLKXDWBXSA-GXTWGEPZSA-N 1 1 292.329 3.534 20 30 CHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000543245497 1120474753 /nfs/dbraw/zinc/47/47/53/1120474753.db2.gz SLNDXGHGRUUAGN-VIFPVBQESA-N 1 1 272.211 3.834 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000543245497 1120474755 /nfs/dbraw/zinc/47/47/55/1120474755.db2.gz SLNDXGHGRUUAGN-VIFPVBQESA-N 1 1 272.211 3.834 20 30 CHEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)cc1 ZINC000543252347 1120476818 /nfs/dbraw/zinc/47/68/18/1120476818.db2.gz KQNIZHHCLWLRQI-KRWDZBQOSA-N 1 1 294.373 3.995 20 30 CHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766721 1120483552 /nfs/dbraw/zinc/48/35/52/1120483552.db2.gz MPLCJZQBFXCEDZ-GFCCVEGCSA-N 1 1 285.778 3.800 20 30 CHEDMO C[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000543447471 1120526240 /nfs/dbraw/zinc/52/62/40/1120526240.db2.gz YPATWSYQADEWBW-MRXNPFEDSA-N 1 1 278.399 3.869 20 30 CHEDMO Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1CC#N ZINC001167753139 1120548722 /nfs/dbraw/zinc/54/87/22/1120548722.db2.gz LGVHOQLUQDTQMR-INIZCTEOSA-N 1 1 285.435 3.738 20 30 CHEDMO C=C(C)CC[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000508967136 1120563300 /nfs/dbraw/zinc/56/33/00/1120563300.db2.gz LOYLNZBDNBODJV-HNNXBMFYSA-N 1 1 275.392 3.579 20 30 CHEDMO C=C(C)CC[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000508967136 1120563305 /nfs/dbraw/zinc/56/33/05/1120563305.db2.gz LOYLNZBDNBODJV-HNNXBMFYSA-N 1 1 275.392 3.579 20 30 CHEDMO C=C(C)CC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000508976501 1120567791 /nfs/dbraw/zinc/56/77/91/1120567791.db2.gz HCZLCZSDUXRTGQ-DZFIZOCASA-N 1 1 286.463 3.699 20 30 CHEDMO Cc1ccc(C[NH2+]Cc2ncc(C(C)C)s2)cc1C#N ZINC000922759292 1120593695 /nfs/dbraw/zinc/59/36/95/1120593695.db2.gz LQJHULNKYQPSLJ-UHFFFAOYSA-N 1 1 285.416 3.736 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000428979887 1120597954 /nfs/dbraw/zinc/59/79/54/1120597954.db2.gz STFFOTPDMKUQQN-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000428979887 1120597959 /nfs/dbraw/zinc/59/79/59/1120597959.db2.gz STFFOTPDMKUQQN-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000155797593 1120600094 /nfs/dbraw/zinc/60/00/94/1120600094.db2.gz QAOOAACNBHDRFW-CQSZACIVSA-N 1 1 284.359 3.613 20 30 CHEDMO CC(C)CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000429050844 1120630625 /nfs/dbraw/zinc/63/06/25/1120630625.db2.gz YCINBXGVGFLEGS-UHFFFAOYSA-N 1 1 285.435 3.507 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC1CCC(C#N)CC1 ZINC001167767261 1120645256 /nfs/dbraw/zinc/64/52/56/1120645256.db2.gz SIHWJBHMOZYFQP-SJJHQCBESA-N 1 1 292.467 3.842 20 30 CHEDMO CC[N@@H+](Cc1cccc(OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000171859663 1128932686 /nfs/dbraw/zinc/93/26/86/1128932686.db2.gz BIJIMJGYKIJUKK-CQSZACIVSA-N 1 1 295.386 3.545 20 30 CHEDMO N#Cc1csc(CNc2cccc3cc[nH+]cc32)c1 ZINC000131132601 1120649144 /nfs/dbraw/zinc/64/91/44/1120649144.db2.gz GCWGDXZSUCCBFO-UHFFFAOYSA-N 1 1 265.341 3.780 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000131340419 1120656055 /nfs/dbraw/zinc/65/60/55/1120656055.db2.gz SHNVVTRJLKCESI-CQSZACIVSA-N 1 1 260.356 3.565 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCCCC3)C2)s1 ZINC000131555786 1120663001 /nfs/dbraw/zinc/66/30/01/1120663001.db2.gz QFDQCZRYTGXBRE-UHFFFAOYSA-N 1 1 292.473 3.871 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429113957 1120663984 /nfs/dbraw/zinc/66/39/84/1120663984.db2.gz JMYXLSVQWVQDPM-HUUCEWRRSA-N 1 1 292.382 3.902 20 30 CHEDMO C=CCCC[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673758492 1120669529 /nfs/dbraw/zinc/66/95/29/1120669529.db2.gz RLLZCDDFLVVDMS-KRWDZBQOSA-N 1 1 272.436 3.549 20 30 CHEDMO C[C@@H]1CCSCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000625368643 1120672924 /nfs/dbraw/zinc/67/29/24/1120672924.db2.gz HAXZICYKQBTKSX-CYBMUJFWSA-N 1 1 279.836 3.519 20 30 CHEDMO C[C@@H]1CCSCC[N@H+]1CC#Cc1ccccc1Cl ZINC000625368643 1120672926 /nfs/dbraw/zinc/67/29/26/1120672926.db2.gz HAXZICYKQBTKSX-CYBMUJFWSA-N 1 1 279.836 3.519 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162859474 1120694403 /nfs/dbraw/zinc/69/44/03/1120694403.db2.gz BNULCULVRNUGGA-TXEJJXNPSA-N 1 1 262.784 3.690 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1Cl ZINC000162851718 1120694558 /nfs/dbraw/zinc/69/45/58/1120694558.db2.gz IDXNQASPHRWXOU-UHFFFAOYSA-N 1 1 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C=CCOCCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000470778210 1121590559 /nfs/dbraw/zinc/59/05/59/1121590559.db2.gz CRKWVRALXRRYOO-OAHLLOKOSA-N 1 1 279.811 3.722 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411498597 1121595273 /nfs/dbraw/zinc/59/52/73/1121595273.db2.gz PGUZEDFWKIPECA-HZPDHXFCSA-N 1 1 292.467 3.579 20 30 CHEDMO CCCCCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000619535199 1128996076 /nfs/dbraw/zinc/99/60/76/1128996076.db2.gz HSCCLCMCWKVTNY-UHFFFAOYSA-N 1 1 272.392 3.649 20 30 CHEDMO C[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)(C)C#N ZINC000433315618 1121644509 /nfs/dbraw/zinc/64/45/09/1121644509.db2.gz YMELMGOYLXRJCV-LLVKDONJSA-N 1 1 295.224 3.992 20 30 CHEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)C#N ZINC000433315618 1121644511 /nfs/dbraw/zinc/64/45/11/1121644511.db2.gz YMELMGOYLXRJCV-LLVKDONJSA-N 1 1 295.224 3.992 20 30 CHEDMO Cc1cc(OCc2cc(Cl)ccc2OCC#N)cc[nH+]1 ZINC001327516171 1128996622 /nfs/dbraw/zinc/99/66/22/1128996622.db2.gz AAAKMWJJKPRELI-UHFFFAOYSA-N 1 1 288.734 3.525 20 30 CHEDMO CC[N@@H+](Cc1ccc(O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611208164 1121630400 /nfs/dbraw/zinc/63/04/00/1121630400.db2.gz MLRJYJRNDHPBBK-AWEZNQCLSA-N 1 1 280.371 3.847 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419305838 1121635959 /nfs/dbraw/zinc/63/59/59/1121635959.db2.gz XMCKXJABFIWCDR-HNNXBMFYSA-N 1 1 292.373 3.912 20 30 CHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC1(C#N)CC1 ZINC000611430353 1121647204 /nfs/dbraw/zinc/64/72/04/1121647204.db2.gz ABWDEBCSVRJMQQ-INIZCTEOSA-N 1 1 254.377 3.546 20 30 CHEDMO CC(C)c1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)on1 ZINC000611438590 1121647868 /nfs/dbraw/zinc/64/78/68/1121647868.db2.gz UJYSHVROJCYGSN-GFCCVEGCSA-N 1 1 269.348 3.520 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C#N)c(F)c1 ZINC000611465616 1121649938 /nfs/dbraw/zinc/64/99/38/1121649938.db2.gz FCCCAOKOYDRFMQ-LLVKDONJSA-N 1 1 297.308 3.559 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513268771 1121676780 /nfs/dbraw/zinc/67/67/80/1121676780.db2.gz YYDCICKHWMILJH-WBVHZDCISA-N 1 1 259.393 3.662 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000397682531 1121693505 /nfs/dbraw/zinc/69/35/05/1121693505.db2.gz UJXVXEMIYQMGBY-LBPRGKRZSA-N 1 1 293.208 3.575 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000397682531 1121693507 /nfs/dbraw/zinc/69/35/07/1121693507.db2.gz UJXVXEMIYQMGBY-LBPRGKRZSA-N 1 1 293.208 3.575 20 30 CHEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC001176767797 1121694808 /nfs/dbraw/zinc/69/48/08/1121694808.db2.gz UKKNHWJVNLVKDI-SNVBAGLBSA-N 1 1 256.802 3.727 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC001176767797 1121694811 /nfs/dbraw/zinc/69/48/11/1121694811.db2.gz UKKNHWJVNLVKDI-SNVBAGLBSA-N 1 1 256.802 3.727 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC001176815448 1121696069 /nfs/dbraw/zinc/69/60/69/1121696069.db2.gz VOHQGDVTHVQXRI-NSHDSACASA-N 1 1 271.282 3.578 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC001176815448 1121696072 /nfs/dbraw/zinc/69/60/72/1121696072.db2.gz VOHQGDVTHVQXRI-NSHDSACASA-N 1 1 271.282 3.578 20 30 CHEDMO C[C@H]1CSCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001176828222 1121696090 /nfs/dbraw/zinc/69/60/90/1121696090.db2.gz OOVAFVYPWCSBLE-ZDUSSCGKSA-N 1 1 279.836 3.519 20 30 CHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1Cl ZINC001176798572 1121697115 /nfs/dbraw/zinc/69/71/15/1121697115.db2.gz SXDGCVFJXMPAKD-CYBMUJFWSA-N 1 1 294.826 3.955 20 30 CHEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001176833114 1121697649 /nfs/dbraw/zinc/69/76/49/1121697649.db2.gz RXWMQZRIIGPUOH-LJQANCHMSA-N 1 1 296.458 3.973 20 30 CHEDMO CCCCCCC[N@H+]1CCCC[C@@]12CCCOC2 ZINC001177007780 1121705166 /nfs/dbraw/zinc/70/51/66/1121705166.db2.gz CTPHZLIADDTIEP-INIZCTEOSA-N 1 1 253.430 3.992 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CC=CC12CCCCC2 ZINC001176996171 1121705756 /nfs/dbraw/zinc/70/57/56/1121705756.db2.gz RKVFVDFNWQSJRO-UHFFFAOYSA-N 1 1 282.387 3.512 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C(C)C ZINC000614396796 1121707518 /nfs/dbraw/zinc/70/75/18/1121707518.db2.gz PHVDTXHIVKTWCD-UHFFFAOYSA-N 1 1 268.360 3.870 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000614402133 1121709434 /nfs/dbraw/zinc/70/94/34/1121709434.db2.gz LPTLVQSNHJTLGP-GOSISDBHSA-N 1 1 280.346 3.953 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000614402133 1121709440 /nfs/dbraw/zinc/70/94/40/1121709440.db2.gz LPTLVQSNHJTLGP-GOSISDBHSA-N 1 1 280.346 3.953 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000614402924 1121710674 /nfs/dbraw/zinc/71/06/74/1121710674.db2.gz ZAOJPDTWFPSZSM-SFHVURJKSA-N 1 1 294.373 3.995 20 30 CHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000614402934 1121711004 /nfs/dbraw/zinc/71/10/04/1121711004.db2.gz ZPECBOVDOYOEGC-MSOLQXFVSA-N 1 1 298.430 3.646 20 30 CHEDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000727830817 1121749536 /nfs/dbraw/zinc/74/95/36/1121749536.db2.gz PPZOXNCPQWDQDD-UHFFFAOYSA-N 1 1 298.361 3.815 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000729267599 1121769834 /nfs/dbraw/zinc/76/98/34/1121769834.db2.gz YSFWVLWOBHCKMF-UHFFFAOYSA-N 1 1 298.411 3.839 20 30 CHEDMO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178226146 1121775508 /nfs/dbraw/zinc/77/55/08/1121775508.db2.gz PKPYLDOXCOMIQQ-DQNIMJPHSA-N 1 1 294.483 3.892 20 30 CHEDMO C=CCC1(C[NH2+]Cc2n[nH]c3ccccc32)CCCC1 ZINC001178710124 1121809256 /nfs/dbraw/zinc/80/92/56/1121809256.db2.gz UILFEZRYLCPVKU-UHFFFAOYSA-N 1 1 269.392 3.789 20 30 CHEDMO CCCCCCCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000730786261 1121828328 /nfs/dbraw/zinc/82/83/28/1121828328.db2.gz ODSJPBHTHBOMOC-IYBDPMFKSA-N 1 1 282.472 3.726 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000731211738 1121853895 /nfs/dbraw/zinc/85/38/95/1121853895.db2.gz YRQBYJITHPIANZ-GOSISDBHSA-N 1 1 284.403 3.744 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000619784256 1129013827 /nfs/dbraw/zinc/01/38/27/1129013827.db2.gz IEVFDZLVVSEQMA-IBGZPJMESA-N 1 1 294.373 3.937 20 30 CHEDMO CCC(CC)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731211445 1121854394 /nfs/dbraw/zinc/85/43/94/1121854394.db2.gz JUTWEFOFOMSNPA-UHFFFAOYSA-N 1 1 272.392 3.742 20 30 CHEDMO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732033642 1121905156 /nfs/dbraw/zinc/90/51/56/1121905156.db2.gz ACVBFPFRLUWSNL-KRWDZBQOSA-N 1 1 294.483 3.822 20 30 CHEDMO CCCCCCCC[C@@H](CO)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC001179772137 1121906728 /nfs/dbraw/zinc/90/67/28/1121906728.db2.gz WVUWOXKWTLFSKP-IRXDYDNUSA-N 1 1 298.515 3.560 20 30 CHEDMO C=CC[N@H+](CCC(C)(C)OC)Cc1cccs1 ZINC000345786426 1121917744 /nfs/dbraw/zinc/91/77/44/1121917744.db2.gz NFUHTIBDENTCNN-UHFFFAOYSA-N 1 1 253.411 3.551 20 30 CHEDMO CC(C)CC[N@@H+](Cc1cccc(C#N)n1)C1CCCC1 ZINC001179994335 1121934166 /nfs/dbraw/zinc/93/41/66/1121934166.db2.gz ZIPLMMRKOABLBB-UHFFFAOYSA-N 1 1 271.408 3.744 20 30 CHEDMO C#CC[N@H+](C/C=C/c1c(C)cc(C)cc1C)CC1CC1 ZINC001180116914 1121954260 /nfs/dbraw/zinc/95/42/60/1121954260.db2.gz OPVYUMVJEXTNIP-VOTSOKGWSA-N 1 1 267.416 3.970 20 30 CHEDMO C#CC[N@@H+](CC1CC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001180116272 1121954663 /nfs/dbraw/zinc/95/46/63/1121954663.db2.gz IACGWYRKODPDDG-MOPGFXCFSA-N 1 1 267.416 3.842 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000625700475 1121959795 /nfs/dbraw/zinc/95/97/95/1121959795.db2.gz IMOZZZDNAZWTJS-CQSZACIVSA-N 1 1 252.361 3.633 20 30 CHEDMO C#CC[N@H+](CC#CC)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001180202812 1121961760 /nfs/dbraw/zinc/96/17/60/1121961760.db2.gz AQIRQOLLYSSBRM-CQSZACIVSA-N 1 1 293.332 3.767 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000501208097 1121962516 /nfs/dbraw/zinc/96/25/16/1121962516.db2.gz XPVXTFNOEGXNDB-UHFFFAOYSA-N 1 1 272.392 3.745 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414427406 1121968662 /nfs/dbraw/zinc/96/86/62/1121968662.db2.gz FNHMUSYSSUIKLC-GFCCVEGCSA-N 1 1 270.298 3.796 20 30 CHEDMO C#CC[N@H+](CCc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001180295850 1121976995 /nfs/dbraw/zinc/97/69/95/1121976995.db2.gz BIZXTRHJFRFRTG-FQEVSTJZSA-N 1 1 293.385 3.991 20 30 CHEDMO CC[N@@H+](Cc1ccc2ccccc2c1)CC1(C#N)CC1 ZINC000501530158 1121984495 /nfs/dbraw/zinc/98/44/95/1121984495.db2.gz GSXLEVTYGSHXEN-UHFFFAOYSA-N 1 1 264.372 3.965 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000501807031 1122009413 /nfs/dbraw/zinc/00/94/13/1122009413.db2.gz UPNQFTLVZSONGY-LSDHHAIUSA-N 1 1 270.420 3.966 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000501807029 1122010135 /nfs/dbraw/zinc/01/01/35/1122010135.db2.gz UPNQFTLVZSONGY-HUUCEWRRSA-N 1 1 270.420 3.966 20 30 CHEDMO C=CC[N@H+](C)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000501967258 1122027900 /nfs/dbraw/zinc/02/79/00/1122027900.db2.gz OWFJTPMUQPLSON-NSHDSACASA-N 1 1 257.299 3.927 20 30 CHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCC#N ZINC000420931715 1122044376 /nfs/dbraw/zinc/04/43/76/1122044376.db2.gz UARATQXQTIBTQL-MRXNPFEDSA-N 1 1 260.356 3.526 20 30 CHEDMO C=CC[C@H]1[N@@H+](C[C@@H](CCC)OC)CCCC1(C)C ZINC001181297066 1122046475 /nfs/dbraw/zinc/04/64/75/1122046475.db2.gz KUFYEWQGSBHOLS-HUUCEWRRSA-N 1 1 253.430 3.868 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@@H](CCC)OC)CCCC1(C)C ZINC001181297064 1122046282 /nfs/dbraw/zinc/04/62/82/1122046282.db2.gz KUFYEWQGSBHOLS-CABCVRRESA-N 1 1 253.430 3.868 20 30 CHEDMO C=CC[C@H]1[N@@H+](C[C@H](CCC)OC)CCCC1(C)C ZINC001181297067 1122046374 /nfs/dbraw/zinc/04/63/74/1122046374.db2.gz KUFYEWQGSBHOLS-LSDHHAIUSA-N 1 1 253.430 3.868 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946465 1122048609 /nfs/dbraw/zinc/04/86/09/1122048609.db2.gz LVTSOGAXVWMXCO-LLVKDONJSA-N 1 1 262.319 3.591 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CC(OC(C)(C)C)C1 ZINC000420998962 1122059555 /nfs/dbraw/zinc/05/95/55/1122059555.db2.gz BNUGIXXRRPNMJU-UHFFFAOYSA-N 1 1 280.456 3.984 20 30 CHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCCCC#N ZINC000421027791 1122060409 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C[C@@H](C#N)C[N@@H+](Cc1cccc(C2CC2)c1)C1CC1 ZINC000421319783 1122093433 /nfs/dbraw/zinc/09/34/33/1122093433.db2.gz OCANOZHADJIGKR-ZDUSSCGKSA-N 1 1 254.377 3.688 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc(CC)c1)c1ccc(F)cc1 ZINC001182021435 1122107828 /nfs/dbraw/zinc/10/78/28/1122107828.db2.gz VKRMNDQBAPKCJR-GOSISDBHSA-N 1 1 267.347 3.852 20 30 CHEDMO C=CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379887 1129033912 /nfs/dbraw/zinc/03/39/12/1129033912.db2.gz DLNHWEDGTNIQAG-DLBZAZTESA-N 1 1 264.457 3.587 20 30 CHEDMO C=CCCCCCCCN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379887 1129033914 /nfs/dbraw/zinc/03/39/14/1129033914.db2.gz DLNHWEDGTNIQAG-DLBZAZTESA-N 1 1 264.457 3.587 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC001182795843 1122187304 /nfs/dbraw/zinc/18/73/04/1122187304.db2.gz LYUGDICBDRYAQV-HNNXBMFYSA-N 1 1 283.419 3.844 20 30 CHEDMO CCC[N@H+](Cc1ccccc1F)C[C@H](C)CCC#N ZINC001182909896 1122196246 /nfs/dbraw/zinc/19/62/46/1122196246.db2.gz KQZPORFEQHYWHI-CQSZACIVSA-N 1 1 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/nfs/dbraw/zinc/49/96/97/1123499697.db2.gz BYRFXSLSQQGXLL-GFCCVEGCSA-N 1 1 254.308 3.548 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000474286880 1123501380 /nfs/dbraw/zinc/50/13/80/1123501380.db2.gz VIJOOYHTNNTUPL-INIZCTEOSA-N 1 1 261.409 3.614 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(Cl)ccc2n1C ZINC000114712379 1123506216 /nfs/dbraw/zinc/50/62/16/1123506216.db2.gz RBMSCECXLBRTIV-UHFFFAOYSA-N 1 1 277.799 3.625 20 30 CHEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000776787850 1123506091 /nfs/dbraw/zinc/50/60/91/1123506091.db2.gz WBSFHSFQAGSKTM-UHFFFAOYSA-N 1 1 276.383 3.733 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nc2cc(Cl)ccc2n1C ZINC000114712379 1123506213 /nfs/dbraw/zinc/50/62/13/1123506213.db2.gz RBMSCECXLBRTIV-UHFFFAOYSA-N 1 1 277.799 3.625 20 30 CHEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776852159 1123543752 /nfs/dbraw/zinc/54/37/52/1123543752.db2.gz PWJVFKDEJPXOMC-KZNAEPCWSA-N 1 1 253.389 3.668 20 30 CHEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OC)cc1 ZINC000428298727 1123544928 /nfs/dbraw/zinc/54/49/28/1123544928.db2.gz COCREXHSZZFVLM-SFHVURJKSA-N 1 1 298.361 3.947 20 30 CHEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCOCCC#N ZINC000338997511 1123564047 /nfs/dbraw/zinc/56/40/47/1123564047.db2.gz NMELLSNEACMFKG-INIZCTEOSA-N 1 1 294.826 3.899 20 30 CHEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCC1 ZINC000329537229 1123620390 /nfs/dbraw/zinc/62/03/90/1123620390.db2.gz UVCZEJGOYFQOAK-UHFFFAOYSA-N 1 1 291.420 3.861 20 30 CHEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857869073 1123623293 /nfs/dbraw/zinc/62/32/93/1123623293.db2.gz JHYIRMLDBQYDSA-SJORKVTESA-N 1 1 281.403 3.564 20 30 CHEDMO C=CC[C@@H]([NH2+][C@H]1CCCc2scnc21)c1ccncc1 ZINC000858365660 1123647709 /nfs/dbraw/zinc/64/77/09/1123647709.db2.gz QAVUQPLUWYWVLZ-KGLIPLIRSA-N 1 1 285.416 3.823 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccns1 ZINC000858578090 1123664850 /nfs/dbraw/zinc/66/48/50/1123664850.db2.gz SZGMLVFDRJBGHE-UWVGGRQHSA-N 1 1 275.352 3.566 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000859444893 1123698696 /nfs/dbraw/zinc/69/86/96/1123698696.db2.gz DLBHJIKFTUNQFV-HNNXBMFYSA-N 1 1 297.398 3.808 20 30 CHEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000860181073 1123724422 /nfs/dbraw/zinc/72/44/22/1123724422.db2.gz WRUXDRJKKZRHRN-KZSQQDEKSA-N 1 1 284.403 3.767 20 30 CHEDMO C=C(C)C[N@H+](CC)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195155917 1129142393 /nfs/dbraw/zinc/14/23/93/1129142393.db2.gz OARCDTNNDOEASW-KRWDZBQOSA-N 1 1 296.455 3.532 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000336278569 1123755679 /nfs/dbraw/zinc/75/56/79/1123755679.db2.gz QPBVFEINLMAMCD-UHFFFAOYSA-N 1 1 299.349 3.606 20 30 CHEDMO C=C(C)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000103481460 1123787548 /nfs/dbraw/zinc/78/75/48/1123787548.db2.gz LMBZJYZYTFKGQO-UHFFFAOYSA-N 1 1 284.378 3.842 20 30 CHEDMO CCc1ccc(CC[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000609671836 1123794106 /nfs/dbraw/zinc/79/41/06/1123794106.db2.gz UVBTZFWKMLARRL-UHFFFAOYSA-N 1 1 278.399 3.795 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862443465 1123811759 /nfs/dbraw/zinc/81/17/59/1123811759.db2.gz PHEQXFIXAPZNID-QGZVFWFLSA-N 1 1 282.431 3.522 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000862467067 1123813363 /nfs/dbraw/zinc/81/33/63/1123813363.db2.gz NXCPPBRXSXSEGV-CYBMUJFWSA-N 1 1 294.345 3.599 20 30 CHEDMO C=CCCCCCO[NH+]=C(N)CCC(F)(F)F ZINC000863491246 1123872569 /nfs/dbraw/zinc/87/25/69/1123872569.db2.gz XQBNZMOHXZSGOS-UHFFFAOYSA-N 1 1 252.280 3.574 20 30 CHEDMO CCc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000428346291 1123950703 /nfs/dbraw/zinc/95/07/03/1123950703.db2.gz FFIYLWMFUJYUOI-UHFFFAOYSA-N 1 1 295.386 3.582 20 30 CHEDMO CCc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000428346291 1123950709 /nfs/dbraw/zinc/95/07/09/1123950709.db2.gz FFIYLWMFUJYUOI-UHFFFAOYSA-N 1 1 295.386 3.582 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1scnc1C ZINC000173552199 1123971612 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1124031607 /nfs/dbraw/zinc/03/16/07/1124031607.db2.gz BKYZJTKNDNUQBI-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000610003613 1124031611 /nfs/dbraw/zinc/03/16/11/1124031611.db2.gz BKYZJTKNDNUQBI-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cccc(C#N)c1O ZINC000866227662 1124039941 /nfs/dbraw/zinc/03/99/41/1124039941.db2.gz BCPKRBJNFZPZIX-XHDPSFHLSA-N 1 1 282.343 3.585 20 30 CHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000444656363 1124048433 /nfs/dbraw/zinc/04/84/33/1124048433.db2.gz FAMJIAZDKPQFRO-RHSMWYFYSA-N 1 1 259.368 3.688 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C ZINC000444658201 1124048991 /nfs/dbraw/zinc/04/89/91/1124048991.db2.gz MWUMERWCFMTCJP-PBHICJAKSA-N 1 1 256.393 3.959 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC000444659264 1124049880 /nfs/dbraw/zinc/04/98/80/1124049880.db2.gz HIKZMJVDKKZYGI-YOEHRIQHSA-N 1 1 256.393 3.959 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000444681171 1124053329 /nfs/dbraw/zinc/05/33/29/1124053329.db2.gz YOFZSXWIVZRSQS-XJKSGUPXSA-N 1 1 272.392 3.577 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(C)c2)cc1C#N ZINC000444732403 1124056264 /nfs/dbraw/zinc/05/62/64/1124056264.db2.gz KFWSJGSPFZCPKT-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2F)ccc1F ZINC000444729119 1124058740 /nfs/dbraw/zinc/05/87/40/1124058740.db2.gz FZTINIMBGDOOIS-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2F)ccc1F ZINC000444729119 1124058742 /nfs/dbraw/zinc/05/87/42/1124058742.db2.gz FZTINIMBGDOOIS-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000444751004 1124059959 /nfs/dbraw/zinc/05/99/59/1124059959.db2.gz AMSRMGREDNEWPW-KRWDZBQOSA-N 1 1 256.393 3.621 20 30 CHEDMO C=CC[C@@H]1[N@@H+](CCCn2ccnc2C)CCCC1(C)C ZINC000444777110 1124062148 /nfs/dbraw/zinc/06/21/48/1124062148.db2.gz DMKSXTHTOSNMEI-INIZCTEOSA-N 1 1 275.440 3.648 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CCCC23CCC3)c1 ZINC000444779227 1124064408 /nfs/dbraw/zinc/06/44/08/1124064408.db2.gz BDIVHOVVQDOJDB-UHFFFAOYSA-N 1 1 259.780 3.710 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2cscn2)CCCC1(C)C ZINC000444788047 1124065197 /nfs/dbraw/zinc/06/51/97/1124065197.db2.gz ZVKUKSOUNPCBFS-ZDUSSCGKSA-N 1 1 250.411 3.710 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000508533607 1124090280 /nfs/dbraw/zinc/09/02/80/1124090280.db2.gz KLPYVDQEAGBODQ-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000508533607 1124090283 /nfs/dbraw/zinc/09/02/83/1124090283.db2.gz KLPYVDQEAGBODQ-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121872832 1124104118 /nfs/dbraw/zinc/10/41/18/1124104118.db2.gz GGJWMARDBJCZED-CVEARBPZSA-N 1 1 277.408 3.914 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121634193 1124108521 /nfs/dbraw/zinc/10/85/21/1124108521.db2.gz RUUWNJWMPRODRN-SFHVURJKSA-N 1 1 297.377 3.763 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121634193 1124108523 /nfs/dbraw/zinc/10/85/23/1124108523.db2.gz RUUWNJWMPRODRN-SFHVURJKSA-N 1 1 297.377 3.763 20 30 CHEDMO CCC1(CC)C[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428442217 1124113824 /nfs/dbraw/zinc/11/38/24/1124113824.db2.gz ZNYQSZVXOFVLCT-UHFFFAOYSA-N 1 1 292.423 3.805 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428442217 1124113825 /nfs/dbraw/zinc/11/38/25/1124113825.db2.gz ZNYQSZVXOFVLCT-UHFFFAOYSA-N 1 1 292.423 3.805 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](C)COC ZINC000621317644 1129166993 /nfs/dbraw/zinc/16/69/93/1129166993.db2.gz PSEDNCCBUVQWPI-LBPRGKRZSA-N 1 1 287.325 3.728 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000525124780 1124115887 /nfs/dbraw/zinc/11/58/87/1124115887.db2.gz JRJSVFATDATWJU-STQMWFEESA-N 1 1 260.356 3.708 20 30 CHEDMO C=CCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000525328215 1124122697 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CCc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C)ccc1C#N ZINC001238777758 1131244892 /nfs/dbraw/zinc/24/48/92/1131244892.db2.gz HQSOVTWMWYXHIJ-UONOGXRCSA-N 1 1 256.393 3.741 20 30 CHEDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001238780008 1131246558 /nfs/dbraw/zinc/24/65/58/1131246558.db2.gz BZAHGPKVPBNSPS-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001238780008 1131246564 /nfs/dbraw/zinc/24/65/64/1131246564.db2.gz BZAHGPKVPBNSPS-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000122143698 1124470488 /nfs/dbraw/zinc/47/04/88/1124470488.db2.gz GYHLBYYDWGRSNL-HOTGVXAUSA-N 1 1 282.472 3.536 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC001119800466 1131263594 /nfs/dbraw/zinc/26/35/94/1131263594.db2.gz IGYFARGYDRLFCX-CSHXORCISA-N 1 1 289.382 3.631 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1ccccn1)C1CC1 ZINC001119767888 1131264290 /nfs/dbraw/zinc/26/42/90/1131264290.db2.gz BHBRUBSRWIWSBM-UHFFFAOYSA-N 1 1 291.398 3.735 20 30 CHEDMO CC[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447603308 1124499657 /nfs/dbraw/zinc/49/96/57/1124499657.db2.gz XMARCFXJNRXVDE-GOSISDBHSA-N 1 1 299.462 3.721 20 30 CHEDMO CC[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447603308 1124499659 /nfs/dbraw/zinc/49/96/59/1124499659.db2.gz XMARCFXJNRXVDE-GOSISDBHSA-N 1 1 299.462 3.721 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1(F)CC1 ZINC000526969943 1124534612 /nfs/dbraw/zinc/53/46/12/1124534612.db2.gz BKOXEPURWQPPJT-UHFFFAOYSA-N 1 1 260.356 3.518 20 30 CHEDMO C#CCCCCCCN1CC[N@H+](C)Cc2ccccc21 ZINC001205960403 1124566318 /nfs/dbraw/zinc/56/63/18/1124566318.db2.gz OVXBGOMESMGWMI-UHFFFAOYSA-N 1 1 270.420 3.522 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000448203622 1124569171 /nfs/dbraw/zinc/56/91/71/1124569171.db2.gz YKVZWUJPKTUWKA-UHFFFAOYSA-N 1 1 267.347 3.618 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccs1 ZINC000448197480 1124569427 /nfs/dbraw/zinc/56/94/27/1124569427.db2.gz OFCXVYWPEILHHH-UHFFFAOYSA-N 1 1 273.376 3.761 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000448447354 1124581729 /nfs/dbraw/zinc/58/17/29/1124581729.db2.gz KFBNUZJQGMYZSV-UHFFFAOYSA-N 1 1 297.373 3.708 20 30 CHEDMO CC[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1OC ZINC000448461991 1124582185 /nfs/dbraw/zinc/58/21/85/1124582185.db2.gz PQMQWGXNAKNKRI-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1OC ZINC000448461991 1124582192 /nfs/dbraw/zinc/58/21/92/1124582192.db2.gz PQMQWGXNAKNKRI-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@H+](Cc1ccncc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000449015477 1124629989 /nfs/dbraw/zinc/62/99/89/1124629989.db2.gz STCXCULUZFXXNJ-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO CC[N@@H+](Cc1ccncc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000449015477 1124629991 /nfs/dbraw/zinc/62/99/91/1124629991.db2.gz STCXCULUZFXXNJ-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO C[N@H+](Cc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000449007665 1124631194 /nfs/dbraw/zinc/63/11/94/1124631194.db2.gz AGJZXMIPQJRGGA-UHFFFAOYSA-N 1 1 294.402 3.502 20 30 CHEDMO C[N@@H+](Cc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000449007665 1124631198 /nfs/dbraw/zinc/63/11/98/1124631198.db2.gz AGJZXMIPQJRGGA-UHFFFAOYSA-N 1 1 294.402 3.502 20 30 CHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000871785798 1124637375 /nfs/dbraw/zinc/63/73/75/1124637375.db2.gz WOCGYJSYAUINHB-LLVKDONJSA-N 1 1 269.776 3.650 20 30 CHEDMO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)cs1 ZINC000449021478 1124639362 /nfs/dbraw/zinc/63/93/62/1124639362.db2.gz CQEZGGUKRSGSRS-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cs1 ZINC000449021478 1124639367 /nfs/dbraw/zinc/63/93/67/1124639367.db2.gz CQEZGGUKRSGSRS-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO C[C@H](C[N@@H+](CCC#N)CC1CC1)c1cc(F)cc(F)c1 ZINC000449023467 1124639380 /nfs/dbraw/zinc/63/93/80/1124639380.db2.gz QVTJJOJLPZODNK-GFCCVEGCSA-N 1 1 278.346 3.694 20 30 CHEDMO CCCCCC(C)=[NH+]n1c(SC)nnc1SC ZINC000872417133 1124713462 /nfs/dbraw/zinc/71/34/62/1124713462.db2.gz MCVSBUDSOGSJFH-UHFFFAOYSA-N 1 1 272.443 3.526 20 30 CHEDMO C=C(C)CCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001120647156 1131277848 /nfs/dbraw/zinc/27/78/48/1131277848.db2.gz HUTWSVWBOJTQIO-UHFFFAOYSA-N 1 1 280.799 3.696 20 30 CHEDMO CC[C@@H]1CCC[C@H](C=[NH+]n2c(SC)nnc2SC)C1 ZINC000872417516 1124713607 /nfs/dbraw/zinc/71/36/07/1124713607.db2.gz DCFFPMPLNXOFMP-MNOVXSKESA-N 1 1 298.481 3.772 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=C[C@H](C)C1CCCCC1 ZINC000872417397 1124713633 /nfs/dbraw/zinc/71/36/33/1124713633.db2.gz APZAYMDNHSIBFK-JTQLQIEISA-N 1 1 298.481 3.772 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1nc(C#N)cs1 ZINC000449384311 1124719306 /nfs/dbraw/zinc/71/93/06/1124719306.db2.gz AVYCNSQXYBHUHE-XJKCOSOUSA-N 1 1 297.427 3.781 20 30 CHEDMO C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449486746 1124764824 /nfs/dbraw/zinc/76/48/24/1124764824.db2.gz VCHUNTSAMBVGRD-WMZOPIPTSA-N 1 1 286.463 3.699 20 30 CHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnoc2)cc1 ZINC001239194640 1131306088 /nfs/dbraw/zinc/30/60/88/1131306088.db2.gz RBLFYJHESACWRR-MRXNPFEDSA-N 1 1 254.333 3.665 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000449636838 1124831108 /nfs/dbraw/zinc/83/11/08/1124831108.db2.gz XGCOLLXUBHQLAB-QGZVFWFLSA-N 1 1 278.355 3.878 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000449636838 1124831111 /nfs/dbraw/zinc/83/11/11/1124831111.db2.gz XGCOLLXUBHQLAB-QGZVFWFLSA-N 1 1 278.355 3.878 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1CCC(C)C ZINC001168111526 1124833591 /nfs/dbraw/zinc/83/35/91/1124833591.db2.gz FOMHYUUXIDKBBA-KRWDZBQOSA-N 1 1 286.419 3.967 20 30 CHEDMO C=C(CC)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449734679 1124852113 /nfs/dbraw/zinc/85/21/13/1124852113.db2.gz NXRZJTDRHCFOGT-NVXWUHKLSA-N 1 1 264.457 3.585 20 30 CHEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@]12CCOC2 ZINC001252983205 1124929946 /nfs/dbraw/zinc/92/99/46/1124929946.db2.gz SOIOGIWMWVKDDB-ZWKOTPCHSA-N 1 1 297.483 3.743 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000876571066 1124961544 /nfs/dbraw/zinc/96/15/44/1124961544.db2.gz FTSLEBVMEZHSNP-UHFFFAOYSA-N 1 1 275.783 3.514 20 30 CHEDMO CC[N@@H+](Cc1cc2nc(Cl)ccc2s1)C[C@@H](C)C#N ZINC000876616833 1124967135 /nfs/dbraw/zinc/96/71/35/1124967135.db2.gz BFVJLTIUQIEHJF-JTQLQIEISA-N 1 1 293.823 3.931 20 30 CHEDMO CC[N@H+](Cc1cc2nc(Cl)ccc2s1)C[C@@H](C)C#N ZINC000876616833 1124967140 /nfs/dbraw/zinc/96/71/40/1124967140.db2.gz BFVJLTIUQIEHJF-JTQLQIEISA-N 1 1 293.823 3.931 20 30 CHEDMO C=C1CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876695026 1124970001 /nfs/dbraw/zinc/97/00/01/1124970001.db2.gz RQIZCUBQKNFFQM-UHFFFAOYSA-N 1 1 262.740 3.633 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000876767169 1124977541 /nfs/dbraw/zinc/97/75/41/1124977541.db2.gz CPTCPGPXZVDYRF-UHFFFAOYSA-N 1 1 289.810 3.763 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876802105 1124980131 /nfs/dbraw/zinc/98/01/31/1124980131.db2.gz BNAUCGYXGGKINA-QLFBSQMISA-N 1 1 292.448 3.576 20 30 CHEDMO C=C(Cl)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877149353 1125014385 /nfs/dbraw/zinc/01/43/85/1125014385.db2.gz MBHSSQMAZUDOKF-WBVHZDCISA-N 1 1 290.838 3.697 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)CC12CCC2 ZINC000877174981 1125017701 /nfs/dbraw/zinc/01/77/01/1125017701.db2.gz IPMKRGLQWOPILH-LBPRGKRZSA-N 1 1 289.810 3.619 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)CC12CCC2 ZINC000877174981 1125017708 /nfs/dbraw/zinc/01/77/08/1125017708.db2.gz IPMKRGLQWOPILH-LBPRGKRZSA-N 1 1 289.810 3.619 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCC#N ZINC000121174054 1125052070 /nfs/dbraw/zinc/05/20/70/1125052070.db2.gz TZJBDSGPWYUOSK-GFCCVEGCSA-N 1 1 265.426 3.872 20 30 CHEDMO CC(C)([NH2+]Cc1nc(Cl)cs1)c1cccc(C#N)c1 ZINC000877623125 1125054860 /nfs/dbraw/zinc/05/48/60/1125054860.db2.gz JAYOSBXRZSOCNV-UHFFFAOYSA-N 1 1 291.807 3.693 20 30 CHEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)CC(C)(C)CCC#N ZINC000877770002 1125078219 /nfs/dbraw/zinc/07/82/19/1125078219.db2.gz RTZLZCWHECCDRQ-UHFFFAOYSA-N 1 1 269.392 3.930 20 30 CHEDMO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC000877908604 1125100292 /nfs/dbraw/zinc/10/02/92/1125100292.db2.gz XSPOUIKRRKNHIR-IBGZPJMESA-N 1 1 298.430 3.549 20 30 CHEDMO CC[C@H]1CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000877927612 1125102386 /nfs/dbraw/zinc/10/23/86/1125102386.db2.gz CMKJVOCGPROCDD-HKUYNNGSSA-N 1 1 298.430 3.549 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000877927614 1125102675 /nfs/dbraw/zinc/10/26/75/1125102675.db2.gz CMKJVOCGPROCDD-IEBWSBKVSA-N 1 1 298.430 3.549 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878020799 1125113625 /nfs/dbraw/zinc/11/36/25/1125113625.db2.gz QKTYSDWRLSPGJY-NXHRZFHOSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878020799 1125113627 /nfs/dbraw/zinc/11/36/27/1125113627.db2.gz QKTYSDWRLSPGJY-NXHRZFHOSA-N 1 1 286.419 3.778 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC1(CC#N)CC1 ZINC000878095660 1125118400 /nfs/dbraw/zinc/11/84/00/1125118400.db2.gz ABLICSBSFVXRII-HLLBOEOZSA-N 1 1 284.403 3.531 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC1(CC#N)CC1 ZINC000878095660 1125118403 /nfs/dbraw/zinc/11/84/03/1125118403.db2.gz ABLICSBSFVXRII-HLLBOEOZSA-N 1 1 284.403 3.531 20 30 CHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878155120 1125126297 /nfs/dbraw/zinc/12/62/97/1125126297.db2.gz KVSNRGMBBUFING-IPELMVKDSA-N 1 1 298.430 3.547 20 30 CHEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000826030375 1125132642 /nfs/dbraw/zinc/13/26/42/1125132642.db2.gz YEYCVWMSAULKJL-INIZCTEOSA-N 1 1 272.367 3.566 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000487535920 1125143846 /nfs/dbraw/zinc/14/38/46/1125143846.db2.gz ITFWQIMPKYQXTQ-AWEZNQCLSA-N 1 1 298.361 3.769 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cccc(C)n1)c1ccco1 ZINC000530505949 1125160537 /nfs/dbraw/zinc/16/05/37/1125160537.db2.gz YLQFLMKOSVTJET-HNNXBMFYSA-N 1 1 256.349 3.780 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CC2CC2)CC2CCC2)s1 ZINC000475671741 1125170094 /nfs/dbraw/zinc/17/00/94/1125170094.db2.gz BOFVRLBLMRJBAH-UHFFFAOYSA-N 1 1 260.406 3.632 20 30 CHEDMO C[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878649803 1125170283 /nfs/dbraw/zinc/17/02/83/1125170283.db2.gz CPUCAQONDHBBJN-SJORKVTESA-N 1 1 286.419 3.778 20 30 CHEDMO C[N@@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878649803 1125170289 /nfs/dbraw/zinc/17/02/89/1125170289.db2.gz CPUCAQONDHBBJN-SJORKVTESA-N 1 1 286.419 3.778 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C)cn1 ZINC000122061456 1125170832 /nfs/dbraw/zinc/17/08/32/1125170832.db2.gz ATNTYXABGDHFLK-UHFFFAOYSA-N 1 1 252.361 3.578 20 30 CHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000530725451 1125176201 /nfs/dbraw/zinc/17/62/01/1125176201.db2.gz PWBCGLBXPVYTEA-BEFAXECRSA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)S1 ZINC000530939068 1125188314 /nfs/dbraw/zinc/18/83/14/1125188314.db2.gz NTFRJJKTUUCPNM-BETUJISGSA-N 1 1 279.836 3.517 20 30 CHEDMO CC(C)=CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000531209592 1125202000 /nfs/dbraw/zinc/20/20/00/1125202000.db2.gz VPNUVAIZFARBKV-SJORKVTESA-N 1 1 254.377 3.724 20 30 CHEDMO CC(C)=CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000531209592 1125202005 /nfs/dbraw/zinc/20/20/05/1125202005.db2.gz VPNUVAIZFARBKV-SJORKVTESA-N 1 1 254.377 3.724 20 30 CHEDMO C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[C@H]1C#N ZINC000879308358 1125208049 /nfs/dbraw/zinc/20/80/49/1125208049.db2.gz ARINKPHWOUBNSF-WNRNVDISSA-N 1 1 284.403 3.531 20 30 CHEDMO C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[C@H]1C#N ZINC000879308358 1125208050 /nfs/dbraw/zinc/20/80/50/1125208050.db2.gz ARINKPHWOUBNSF-WNRNVDISSA-N 1 1 284.403 3.531 20 30 CHEDMO CC(C)Oc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000879307972 1125208308 /nfs/dbraw/zinc/20/83/08/1125208308.db2.gz GSKDGXTWSQMXLB-RDJZCZTQSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000879307972 1125208316 /nfs/dbraw/zinc/20/83/16/1125208316.db2.gz GSKDGXTWSQMXLB-RDJZCZTQSA-N 1 1 272.392 3.598 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000532292786 1125246540 /nfs/dbraw/zinc/24/65/40/1125246540.db2.gz RSVINWVVFRHDFX-LJQANCHMSA-N 1 1 276.383 3.722 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880232910 1125258808 /nfs/dbraw/zinc/25/88/08/1125258808.db2.gz GSDRLISYNJFZAK-CQSZACIVSA-N 1 1 274.383 3.669 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880317962 1125263927 /nfs/dbraw/zinc/26/39/27/1125263927.db2.gz UIMMZZZQIHKIOY-SWLSCSKDSA-N 1 1 283.400 3.565 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000880388511 1125270836 /nfs/dbraw/zinc/27/08/36/1125270836.db2.gz KYHYNNREVYQXIM-HNNXBMFYSA-N 1 1 271.364 3.565 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000880389558 1125271049 /nfs/dbraw/zinc/27/10/49/1125271049.db2.gz IXIYSFUJCBXEQV-INIZCTEOSA-N 1 1 267.376 3.664 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000880389560 1125271381 /nfs/dbraw/zinc/27/13/81/1125271381.db2.gz IXIYSFUJCBXEQV-MRXNPFEDSA-N 1 1 267.376 3.664 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177193057 1125279380 /nfs/dbraw/zinc/27/93/80/1125279380.db2.gz BUBJUSSMUZRYLX-KBPBESRZSA-N 1 1 266.454 3.676 20 30 CHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000475725825 1125281173 /nfs/dbraw/zinc/28/11/73/1125281173.db2.gz FQNQPIXPJSQJDF-AGIUHOORSA-N 1 1 260.356 3.564 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1 ZINC000756995913 1125305223 /nfs/dbraw/zinc/30/52/23/1125305223.db2.gz MIALDZGOYDXXLE-KRWDZBQOSA-N 1 1 271.310 3.819 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000129804232 1125351330 /nfs/dbraw/zinc/35/13/30/1125351330.db2.gz CYMJBWNVLCRTEL-NSHDSACASA-N 1 1 257.761 3.705 20 30 CHEDMO CC(C)[N@@H+](CCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000610681428 1125365175 /nfs/dbraw/zinc/36/51/75/1125365175.db2.gz UWPWWFGAPRJKQQ-UHFFFAOYSA-N 1 1 288.435 3.974 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000016433609 1125376448 /nfs/dbraw/zinc/37/64/48/1125376448.db2.gz ZUUSYIZIRKDZFR-GUYCJALGSA-N 1 1 280.371 3.907 20 30 CHEDMO C=CCCCCC[N@H+](C)Cn1nccc1-c1cccnc1 ZINC000131397032 1125391280 /nfs/dbraw/zinc/39/12/80/1125391280.db2.gz JKWSONDELDOWDZ-UHFFFAOYSA-N 1 1 284.407 3.581 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1cn(CCC)nn1)c1ccccc1 ZINC000883324812 1125397292 /nfs/dbraw/zinc/39/72/92/1125397292.db2.gz FAFNOBCGCMECJH-SFHVURJKSA-N 1 1 298.434 3.875 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC001137188900 1125409738 /nfs/dbraw/zinc/40/97/38/1125409738.db2.gz XKVBGKPNPWCPAM-UHFFFAOYSA-N 1 1 270.376 3.729 20 30 CHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001253233582 1125412956 /nfs/dbraw/zinc/41/29/56/1125412956.db2.gz 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C[C@H](C#N)Oc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101158 1129417184 /nfs/dbraw/zinc/41/71/84/1129417184.db2.gz UNVIKPUWGSXBAV-OAHLLOKOSA-N 1 1 299.418 3.739 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101158 1129417185 /nfs/dbraw/zinc/41/71/85/1129417185.db2.gz UNVIKPUWGSXBAV-OAHLLOKOSA-N 1 1 299.418 3.739 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000093335763 1129421555 /nfs/dbraw/zinc/42/15/55/1129421555.db2.gz MYCHIPKAJWBPHC-OAHLLOKOSA-N 1 1 274.383 3.945 20 30 CHEDMO C=CCCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000740872962 1129421597 /nfs/dbraw/zinc/42/15/97/1129421597.db2.gz TVNOUIYMIWAODI-UHFFFAOYSA-N 1 1 262.397 3.667 20 30 CHEDMO CCCCCCCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000740876384 1129421821 /nfs/dbraw/zinc/42/18/21/1129421821.db2.gz SNHLKHCKRGLOTH-UHFFFAOYSA-N 1 1 291.439 3.621 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000740875382 1129421990 /nfs/dbraw/zinc/42/19/90/1129421990.db2.gz WVDZZYMDLNXTPR-UHFFFAOYSA-N 1 1 276.424 3.578 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000740877201 1129422634 /nfs/dbraw/zinc/42/26/34/1129422634.db2.gz GKJBFBFQSMDNKI-QGZVFWFLSA-N 1 1 294.483 3.824 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000740878018 1129422826 /nfs/dbraw/zinc/42/28/26/1129422826.db2.gz NUJQBAPBSGDNFG-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093704728 1129427329 /nfs/dbraw/zinc/42/73/29/1129427329.db2.gz OWYORRDPOSIGBV-JKSUJKDBSA-N 1 1 286.419 3.990 20 30 CHEDMO C=C(Cl)C[N@@H+](CCOCC)[C@H]1CCc2ccccc21 ZINC000741244972 1129432397 /nfs/dbraw/zinc/43/23/97/1129432397.db2.gz MJMIHUMDFXGMOQ-INIZCTEOSA-N 1 1 279.811 3.765 20 30 CHEDMO C=C(Cl)C[N@H+](CCOCC)[C@H]1CCc2ccccc21 ZINC000741244972 1129432398 /nfs/dbraw/zinc/43/23/98/1129432398.db2.gz MJMIHUMDFXGMOQ-INIZCTEOSA-N 1 1 279.811 3.765 20 30 CHEDMO C=CCCCCC[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000795918403 1129456711 /nfs/dbraw/zinc/45/67/11/1129456711.db2.gz 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C=CC[N@@H+](CCc1ccccc1)Cc1nc2c(s1)CCC2 ZINC000678819666 1130460819 /nfs/dbraw/zinc/46/08/19/1130460819.db2.gz SVCKVCYRCWKPRK-UHFFFAOYSA-N 1 1 298.455 3.863 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000678831173 1130462308 /nfs/dbraw/zinc/46/23/08/1130462308.db2.gz HJVLFIWFJBPNCO-UHFFFAOYSA-N 1 1 264.438 3.810 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCO[C@H](CC)C1 ZINC001170233518 1130463809 /nfs/dbraw/zinc/46/38/09/1130463809.db2.gz GROOPRBRDJAKDN-DLBZAZTESA-N 1 1 259.393 3.632 20 30 CHEDMO CC1(C)COCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389632 1130488350 /nfs/dbraw/zinc/48/83/50/1130488350.db2.gz WSQNHEAGEGMMAI-UHFFFAOYSA-N 1 1 298.430 3.501 20 30 CHEDMO Clc1cccc(C#CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001170378034 1130488947 /nfs/dbraw/zinc/48/89/47/1130488947.db2.gz TXPAYLUUSNLWLG-IYBDPMFKSA-N 1 1 273.807 3.814 20 30 CHEDMO C[N@@H+](Cc1ccno1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398669 1130489864 /nfs/dbraw/zinc/48/98/64/1130489864.db2.gz SPOWOXIREBQRTL-UHFFFAOYSA-N 1 1 295.386 3.511 20 30 CHEDMO Cc1ccccc1[C@@H](C)[N@H+](CCO[C@H](C)C#N)CC(C)C ZINC000792923189 1130508104 /nfs/dbraw/zinc/50/81/04/1130508104.db2.gz BJWKQTUVNOTMIG-IAGOWNOFSA-N 1 1 288.435 3.943 20 30 CHEDMO CC(C)c1cccc(NCC#Cc2ccccc2)[nH+]1 ZINC001170427562 1130529174 /nfs/dbraw/zinc/52/91/74/1130529174.db2.gz WOAPRSLNSKLRBG-UHFFFAOYSA-N 1 1 250.345 3.669 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000827271131 1130534831 /nfs/dbraw/zinc/53/48/31/1130534831.db2.gz JNKYIGGAPXQVMZ-GJZGRUSLSA-N 1 1 290.382 3.549 20 30 CHEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC1CCC1 ZINC000793352270 1130549261 /nfs/dbraw/zinc/54/92/61/1130549261.db2.gz KIFGFUFYNFDXHW-UHFFFAOYSA-N 1 1 285.435 3.658 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN(CCC)CC1 ZINC000793521175 1130562529 /nfs/dbraw/zinc/56/25/29/1130562529.db2.gz VPRJUSKESFNUBD-INIZCTEOSA-N 1 1 266.473 3.975 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000793498011 1130564243 /nfs/dbraw/zinc/56/42/43/1130564243.db2.gz NTUJBANTTBJYPF-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000793498011 1130564248 /nfs/dbraw/zinc/56/42/48/1130564248.db2.gz NTUJBANTTBJYPF-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO CC(=[NH+]Nc1ccc(F)cc1C)c1ccc(N)cc1C ZINC000758120541 1130598455 /nfs/dbraw/zinc/59/84/55/1130598455.db2.gz SMRKJOZIZJNSJS-UHFFFAOYSA-N 1 1 271.339 3.861 20 30 CHEDMO C#CC[N@H+](Cc1ccc(SC)s1)C1CCCC1 ZINC000811464942 1130612120 /nfs/dbraw/zinc/61/21/20/1130612120.db2.gz FCNVXJVKYKZHDZ-UHFFFAOYSA-N 1 1 265.447 3.848 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000811512923 1130618738 /nfs/dbraw/zinc/61/87/38/1130618738.db2.gz ARGSTEXRYMRHRN-GOSISDBHSA-N 1 1 283.415 3.709 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000811513093 1130618977 /nfs/dbraw/zinc/61/89/77/1130618977.db2.gz DKKDGQACUTWHGV-GOSISDBHSA-N 1 1 297.446 3.657 20 30 CHEDMO CC[C@@H](C)N[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811648002 1130628671 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C#C[C@H]([NH2+]Cc1cncc2ccccc21)c1ccc(F)cc1 ZINC000812793398 1130716993 /nfs/dbraw/zinc/71/69/93/1130716993.db2.gz RXSMUTHCYZHYQB-IBGZPJMESA-N 1 1 290.341 3.838 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000812793105 1130717293 /nfs/dbraw/zinc/71/72/93/1130717293.db2.gz OLXAGWZEICPXMP-INIZCTEOSA-N 1 1 273.738 3.943 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cc(C)ccc1C)c1ccc(F)cc1 ZINC000812793729 1130717302 /nfs/dbraw/zinc/71/73/02/1130717302.db2.gz CBOWZGLFLGTHIT-GOSISDBHSA-N 1 1 267.347 3.907 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000812793984 1130719164 /nfs/dbraw/zinc/71/91/64/1130719164.db2.gz MBXCCSRBXKUZRK-GOSISDBHSA-N 1 1 267.347 3.907 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848444 1130721493 /nfs/dbraw/zinc/72/14/93/1130721493.db2.gz CBKGZGSGMLOQIL-DNVCBOLYSA-N 1 1 294.398 3.502 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851184 1130722972 /nfs/dbraw/zinc/72/29/72/1130722972.db2.gz QJMQUGDTRLQQKO-DOTOQJQBSA-N 1 1 288.435 3.760 20 30 CHEDMO CCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001170689949 1130723704 /nfs/dbraw/zinc/72/37/04/1130723704.db2.gz CYQRSUCUHKJACQ-QZTJIDSGSA-N 1 1 293.426 3.757 20 30 CHEDMO CCCCCCC[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235218301 1130724387 /nfs/dbraw/zinc/72/43/87/1130724387.db2.gz NKWFUDBEJIFFQS-ZWKOTPCHSA-N 1 1 272.436 3.528 20 30 CHEDMO CCCCCCCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218301 1130724389 /nfs/dbraw/zinc/72/43/89/1130724389.db2.gz NKWFUDBEJIFFQS-ZWKOTPCHSA-N 1 1 272.436 3.528 20 30 CHEDMO CCCCCCCC[N@H+](C)Cc1ncc(Cl)cn1 ZINC001235408616 1130738821 /nfs/dbraw/zinc/73/88/21/1130738821.db2.gz BCRFLHMGYGJWBH-UHFFFAOYSA-N 1 1 269.820 3.922 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1ncc(Cl)cn1 ZINC001235410265 1130740711 /nfs/dbraw/zinc/74/07/11/1130740711.db2.gz HMVDPQKHVYUCMI-UHFFFAOYSA-N 1 1 255.793 3.532 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ncc(Cl)cn1 ZINC001235410265 1130740714 /nfs/dbraw/zinc/74/07/14/1130740714.db2.gz HMVDPQKHVYUCMI-UHFFFAOYSA-N 1 1 255.793 3.532 20 30 CHEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccccc1CC#N ZINC001235524911 1130750427 /nfs/dbraw/zinc/75/04/27/1130750427.db2.gz CHMLDFCTJIUJND-JXMROGBWSA-N 1 1 276.383 3.898 20 30 CHEDMO N#CCc1ccccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235523324 1130750863 /nfs/dbraw/zinc/75/08/63/1130750863.db2.gz QQIXVLBUUZEULC-KRWDZBQOSA-N 1 1 294.373 3.881 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001235524935 1130751100 /nfs/dbraw/zinc/75/11/00/1130751100.db2.gz CVTCCQYIVXIATD-NVXWUHKLSA-N 1 1 254.377 3.517 20 30 CHEDMO CCCCCCC[N@@H+](CC)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235662353 1130762488 /nfs/dbraw/zinc/76/24/88/1130762488.db2.gz SCKYMBDSCKNDHP-CABCVRRESA-N 1 1 290.442 3.770 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657189 1130762670 /nfs/dbraw/zinc/76/26/70/1130762670.db2.gz NKCGKQSIZFJKLR-ZDUSSCGKSA-N 1 1 278.346 3.991 20 30 CHEDMO CC(C)C1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235659782 1130762701 /nfs/dbraw/zinc/76/27/01/1130762701.db2.gz AAPWHXVNXXYGAA-UHFFFAOYSA-N 1 1 278.346 3.704 20 30 CHEDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(O)c1 ZINC001235686081 1130767024 /nfs/dbraw/zinc/76/70/24/1130767024.db2.gz XIAHVIRYSHUCGF-CQSZACIVSA-N 1 1 286.419 3.815 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc2cc(Br)cnc2c1 ZINC001235736594 1130775030 /nfs/dbraw/zinc/77/50/30/1130775030.db2.gz CFDJYLZEHRSULN-UHFFFAOYSA-N 1 1 291.192 3.615 20 30 CHEDMO Cc1nc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2s1 ZINC001235860581 1130789534 /nfs/dbraw/zinc/78/95/34/1130789534.db2.gz CZKKQBWXGPUBEQ-CYBMUJFWSA-N 1 1 285.416 3.730 20 30 CHEDMO C=C(CC)C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC001170723859 1130816005 /nfs/dbraw/zinc/81/60/05/1130816005.db2.gz WBQWJIYMOOMPNC-UHFFFAOYSA-N 1 1 253.748 3.803 20 30 CHEDMO C=C(CC)C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC001170723859 1130816008 /nfs/dbraw/zinc/81/60/08/1130816008.db2.gz WBQWJIYMOOMPNC-UHFFFAOYSA-N 1 1 253.748 3.803 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](C)c1ccc(F)cc1 ZINC000783506093 1130830426 /nfs/dbraw/zinc/83/04/26/1130830426.db2.gz BKJFSSLAAMFPHC-CQSZACIVSA-N 1 1 262.372 3.801 20 30 CHEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000814174939 1130833898 /nfs/dbraw/zinc/83/38/98/1130833898.db2.gz NMHFJZSNVRGBEK-CQSZACIVSA-N 1 1 284.359 3.511 20 30 CHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000783718016 1130850904 /nfs/dbraw/zinc/85/09/04/1130850904.db2.gz NBVYYFGMUHADRQ-SFHVURJKSA-N 1 1 299.462 3.904 20 30 CHEDMO C=CCCCCCC[N@H+]1CCc2cc(N)ccc2C1 ZINC001236104876 1130864932 /nfs/dbraw/zinc/86/49/32/1130864932.db2.gz GJKAXHHLDZBMDL-UHFFFAOYSA-N 1 1 258.409 3.763 20 30 CHEDMO CC(C)CCC(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000783984627 1130865856 /nfs/dbraw/zinc/86/58/56/1130865856.db2.gz PTCVZPSFBSJXOP-UHFFFAOYSA-N 1 1 279.771 3.646 20 30 CHEDMO C=CCCCCCCCCN1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236414186 1130932216 /nfs/dbraw/zinc/93/22/16/1130932216.db2.gz KLKJNDUQTPRTIH-JKSUJKDBSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCC[C@@H](N)[C@@H]1C ZINC001236414186 1130932221 /nfs/dbraw/zinc/93/22/21/1130932221.db2.gz KLKJNDUQTPRTIH-JKSUJKDBSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@@H](N)[C@@H]1C ZINC001236414186 1130932226 /nfs/dbraw/zinc/93/22/26/1130932226.db2.gz KLKJNDUQTPRTIH-JKSUJKDBSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCC[N@@H+](CCC)C1CCNCC1 ZINC001236180116 1130880024 /nfs/dbraw/zinc/88/00/24/1130880024.db2.gz AGNRGZYZXXNDDR-UHFFFAOYSA-N 1 1 266.473 3.977 20 30 CHEDMO C=CCCCCCCC[N@H+](CCC)C1CCNCC1 ZINC001236180116 1130880028 /nfs/dbraw/zinc/88/00/28/1130880028.db2.gz AGNRGZYZXXNDDR-UHFFFAOYSA-N 1 1 266.473 3.977 20 30 CHEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000814668821 1130896638 /nfs/dbraw/zinc/89/66/38/1130896638.db2.gz DYZAZXXLKPBXQZ-AWEZNQCLSA-N 1 1 262.784 3.809 20 30 CHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000784391346 1130903625 /nfs/dbraw/zinc/90/36/25/1130903625.db2.gz KOJDUHCOAJGTOF-QGZVFWFLSA-N 1 1 284.403 3.615 20 30 CHEDMO C#CCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000784531975 1130908918 /nfs/dbraw/zinc/90/89/18/1130908918.db2.gz URFBKAQVTXFWQG-JTQLQIEISA-N 1 1 284.222 3.671 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000784531975 1130908921 /nfs/dbraw/zinc/90/89/21/1130908921.db2.gz URFBKAQVTXFWQG-JTQLQIEISA-N 1 1 284.222 3.671 20 30 CHEDMO COc1ccccc1CO[NH+]=C1CCCc2ccc(N)cc21 ZINC000814924219 1130936956 /nfs/dbraw/zinc/93/69/56/1130936956.db2.gz XFQVJGAOYNSKTR-UHFFFAOYSA-N 1 1 296.370 3.535 20 30 CHEDMO CCOc1ccc(N[NH+]=C(C)c2ccc(N(C)C)cc2)cc1 ZINC000814984733 1130947851 /nfs/dbraw/zinc/94/78/51/1130947851.db2.gz GNMBUEQHDIEXJF-UHFFFAOYSA-N 1 1 297.402 3.987 20 30 CHEDMO C=CCCC[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815050885 1130952844 /nfs/dbraw/zinc/95/28/44/1130952844.db2.gz KEHXASYSSXTCQV-SFHVURJKSA-N 1 1 269.388 3.771 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cccc3sccc32)C1 ZINC001236689069 1130994565 /nfs/dbraw/zinc/99/45/65/1130994565.db2.gz IAWDNIBHXSSFAQ-GFCCVEGCSA-N 1 1 256.374 3.637 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001236689069 1130994568 /nfs/dbraw/zinc/99/45/68/1130994568.db2.gz IAWDNIBHXSSFAQ-GFCCVEGCSA-N 1 1 256.374 3.637 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(OC(F)F)cc1F ZINC001236721242 1130999242 /nfs/dbraw/zinc/99/92/42/1130999242.db2.gz YCVSPLCUAUXMFZ-UHFFFAOYSA-N 1 1 271.282 3.601 20 30 CHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNC2CCCC2)CC1 ZINC000797786989 1131003171 /nfs/dbraw/zinc/00/31/71/1131003171.db2.gz VYIUQMZDDGOLBP-UHFFFAOYSA-N 1 1 299.462 3.949 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2occc21 ZINC001236744202 1131004051 /nfs/dbraw/zinc/00/40/51/1131004051.db2.gz VPTIKILVSBAHNS-UHFFFAOYSA-N 1 1 276.339 3.936 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2ccoc21 ZINC001236744061 1131004951 /nfs/dbraw/zinc/00/49/51/1131004951.db2.gz XQUARLBVQAJBAL-UHFFFAOYSA-N 1 1 276.339 3.936 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc2ccccc2cc1O ZINC001236831083 1131017381 /nfs/dbraw/zinc/01/73/81/1131017381.db2.gz FBNHSILAULSODF-UHFFFAOYSA-N 1 1 255.361 3.943 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236833725 1131018945 /nfs/dbraw/zinc/01/89/45/1131018945.db2.gz PWWRGBBPSPUOJQ-CQSZACIVSA-N 1 1 280.371 3.671 20 30 CHEDMO CN1CCCc2cc(C=[NH+]Nc3ccccc3)ccc21 ZINC000748035704 1131028332 /nfs/dbraw/zinc/02/83/32/1131028332.db2.gz HQUBHPLKLZCVRR-UHFFFAOYSA-N 1 1 265.360 3.515 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236907285 1131031261 /nfs/dbraw/zinc/03/12/61/1131031261.db2.gz XNPFIIACCILZIN-LBPRGKRZSA-N 1 1 272.323 3.698 20 30 CHEDMO COc1cccc(N[NH+]=Cc2ccc3c(c2)CCCN3C)c1 ZINC000748034973 1131031831 /nfs/dbraw/zinc/03/18/31/1131031831.db2.gz XRFUYVYCUKMRQA-UHFFFAOYSA-N 1 1 295.386 3.524 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236989165 1131033069 /nfs/dbraw/zinc/03/30/69/1131033069.db2.gz AEBBNSWBEIKSTA-HNNXBMFYSA-N 1 1 294.373 3.733 20 30 CHEDMO C=CC[N@H+](C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC001236994836 1131034054 /nfs/dbraw/zinc/03/40/54/1131034054.db2.gz XGMHYRYZKXVLFI-UHFFFAOYSA-N 1 1 252.361 3.675 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001237070636 1131045924 /nfs/dbraw/zinc/04/59/24/1131045924.db2.gz FGUCXQNUJMCWEJ-CQSZACIVSA-N 1 1 280.371 3.671 20 30 CHEDMO C#CC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237085382 1131047527 /nfs/dbraw/zinc/04/75/27/1131047527.db2.gz YWQSACKPPYIOIW-UHFFFAOYSA-N 1 1 284.186 3.544 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237141044 1131059044 /nfs/dbraw/zinc/05/90/44/1131059044.db2.gz SUXKQEDLSYAVAC-NSHDSACASA-N 1 1 298.308 3.537 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc2cccccc1-2 ZINC001237191092 1131068988 /nfs/dbraw/zinc/06/89/88/1131068988.db2.gz PRTKVHBHUFYSFU-UHFFFAOYSA-N 1 1 252.361 3.917 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799192871 1131075070 /nfs/dbraw/zinc/07/50/70/1131075070.db2.gz ILPWHXOSVMWGOD-PBHICJAKSA-N 1 1 277.371 3.504 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC001237279927 1131076279 /nfs/dbraw/zinc/07/62/79/1131076279.db2.gz WSAQYDDYGRDWIP-UHFFFAOYSA-N 1 1 253.361 3.934 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193388 1131076835 /nfs/dbraw/zinc/07/68/35/1131076835.db2.gz JKNWZXDDWCLGOD-AWEZNQCLSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193388 1131076839 /nfs/dbraw/zinc/07/68/39/1131076839.db2.gz JKNWZXDDWCLGOD-AWEZNQCLSA-N 1 1 297.789 3.596 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC=C(Br)C1 ZINC000799328353 1131079543 /nfs/dbraw/zinc/07/95/43/1131079543.db2.gz IROOXHIBRZUYRI-NSHDSACASA-N 1 1 258.203 3.716 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(C(=O)OC)nc1 ZINC001237446173 1131098727 /nfs/dbraw/zinc/09/87/27/1131098727.db2.gz QHJMLTZNNUMKOV-UHFFFAOYSA-N 1 1 292.423 3.661 20 30 CHEDMO C=CCC[N@H+](Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237441308 1131098940 /nfs/dbraw/zinc/09/89/40/1131098940.db2.gz AYQWYSQERCCZMP-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO C=CCC[N@@H+](Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237441308 1131098944 /nfs/dbraw/zinc/09/89/44/1131098944.db2.gz AYQWYSQERCCZMP-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c2cc(C#N)ccc21 ZINC001237473220 1131102676 /nfs/dbraw/zinc/10/26/76/1131102676.db2.gz IGDXXVPOCSUUKW-HNNXBMFYSA-N 1 1 281.403 3.528 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)[C@H](C)C1 ZINC001237471093 1131103203 /nfs/dbraw/zinc/10/32/03/1131103203.db2.gz OIQIKFABABACGY-ZIAGYGMSSA-N 1 1 281.403 3.670 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1c(C)cccc1O ZINC001237487693 1131103452 /nfs/dbraw/zinc/10/34/52/1131103452.db2.gz LDLHTIPLELFXLT-UHFFFAOYSA-N 1 1 267.372 3.889 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cnn(C)c2Cl)CCCC1(C)C ZINC000816593220 1131110237 /nfs/dbraw/zinc/11/02/37/1131110237.db2.gz JYSPKZFYSZJOTR-ZDUSSCGKSA-N 1 1 281.831 3.640 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(F)cc1F ZINC001237529526 1131110807 /nfs/dbraw/zinc/11/08/07/1131110807.db2.gz GHLGQTRVZWNCNK-MEDUHNTESA-N 1 1 276.330 3.601 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(F)cc1F ZINC001237529530 1131111642 /nfs/dbraw/zinc/11/16/42/1131111642.db2.gz GHLGQTRVZWNCNK-ZBEGNZNMSA-N 1 1 276.330 3.601 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc2ncnc(Cl)c2c1 ZINC001237580745 1131115616 /nfs/dbraw/zinc/11/56/16/1131115616.db2.gz XLFQGGMOHNQTHJ-UHFFFAOYSA-N 1 1 275.783 3.681 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237668125 1131126893 /nfs/dbraw/zinc/12/68/93/1131126893.db2.gz HQTWAVAELLKUKC-LJQANCHMSA-N 1 1 292.382 3.795 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237668125 1131126895 /nfs/dbraw/zinc/12/68/95/1131126895.db2.gz HQTWAVAELLKUKC-LJQANCHMSA-N 1 1 292.382 3.795 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC(C)C ZINC001237710562 1131132568 /nfs/dbraw/zinc/13/25/68/1131132568.db2.gz DNQYSGSKCSFNFZ-INIZCTEOSA-N 1 1 286.419 3.908 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2C2CCOCC2)CC1 ZINC001237901893 1131148800 /nfs/dbraw/zinc/14/88/00/1131148800.db2.gz DXWKBWGXMJWQNY-INIZCTEOSA-N 1 1 298.430 3.706 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237904881 1131149610 /nfs/dbraw/zinc/14/96/10/1131149610.db2.gz LZZKNEUZRDETMG-INIZCTEOSA-N 1 1 298.430 3.706 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238199809 1131180810 /nfs/dbraw/zinc/18/08/10/1131180810.db2.gz YSHSMIZHMPIIJG-UHFFFAOYSA-N 1 1 295.773 3.715 20 30 CHEDMO Cc1ccc(N[NH+]=Cc2cccnc2N(C)C)cc1Cl ZINC001117482673 1131187906 /nfs/dbraw/zinc/18/79/06/1131187906.db2.gz XYAHAEJZOCLPTE-UHFFFAOYSA-N 1 1 288.782 3.555 20 30 CHEDMO C#Cc1cccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)c1 ZINC001117747886 1131195905 /nfs/dbraw/zinc/19/59/05/1131195905.db2.gz LPTXELLZHLSMQO-CYBMUJFWSA-N 1 1 296.439 3.539 20 30 CHEDMO C#CCC1(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCCCC1 ZINC000818055406 1131199760 /nfs/dbraw/zinc/19/97/60/1131199760.db2.gz DTTNXGWOCRMNBH-UHFFFAOYSA-N 1 1 295.386 3.555 20 30 CHEDMO C=CC[N@H+](Cc1cnc(F)c(OC)c1)C1CCCCC1 ZINC001238463203 1131204054 /nfs/dbraw/zinc/20/40/54/1131204054.db2.gz PXVRGSKPXJKPIN-UHFFFAOYSA-N 1 1 278.371 3.550 20 30 CHEDMO C=CC[N@H+](Cc1cncc(OC(C)C)c1)C(C)(C)C ZINC001238466302 1131204604 /nfs/dbraw/zinc/20/46/04/1131204604.db2.gz VFUGUVUBKHJINF-UHFFFAOYSA-N 1 1 262.397 3.655 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000818332932 1131208696 /nfs/dbraw/zinc/20/86/96/1131208696.db2.gz RWHKYXBJZLTJOQ-SECBINFHSA-N 1 1 260.164 3.752 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)cnc2-c2ccccc2)C1 ZINC001238623945 1131224479 /nfs/dbraw/zinc/22/44/79/1131224479.db2.gz GSQKXEIQZFOEIC-QGZVFWFLSA-N 1 1 290.410 3.902 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000829283543 1131416933 /nfs/dbraw/zinc/41/69/33/1131416933.db2.gz RPVRDXQIIOOLQN-NEPJUHHUSA-N 1 1 269.310 3.806 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1c(O)cccc1F ZINC001137837342 1131421483 /nfs/dbraw/zinc/42/14/83/1131421483.db2.gz BWFWKDBEDIEEQX-UHFFFAOYSA-N 1 1 253.361 3.934 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(O)cccc1F ZINC001137837342 1131421487 /nfs/dbraw/zinc/42/14/87/1131421487.db2.gz BWFWKDBEDIEEQX-UHFFFAOYSA-N 1 1 253.361 3.934 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000829778843 1131432388 /nfs/dbraw/zinc/43/23/88/1131432388.db2.gz IKFVIVUYZLCVTO-ZDUSSCGKSA-N 1 1 279.330 3.523 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000829788726 1131432977 /nfs/dbraw/zinc/43/29/77/1131432977.db2.gz FMIWIUDINMTXCJ-INIZCTEOSA-N 1 1 280.415 3.723 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@](C)(O)c1ccccc1 ZINC000823605370 1131433840 /nfs/dbraw/zinc/43/38/40/1131433840.db2.gz JKRJNVWLGRKFPK-SFHVURJKSA-N 1 1 288.435 3.546 20 30 CHEDMO CCCCCCCC[C@H](CCC)N[C@]1(CCO)CC[NH2+]C1 ZINC001246291499 1131447750 /nfs/dbraw/zinc/44/77/50/1131447750.db2.gz HCTAQBVWLLPGAA-ROUUACIJSA-N 1 1 298.515 3.610 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccc(C)c2ccccc12 ZINC001138016692 1131451977 /nfs/dbraw/zinc/45/19/77/1131451977.db2.gz NHMNJZYKNSOLPP-UHFFFAOYSA-N 1 1 252.361 3.884 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccc(C)c2ccccc12 ZINC001138016692 1131451980 /nfs/dbraw/zinc/45/19/80/1131451980.db2.gz NHMNJZYKNSOLPP-UHFFFAOYSA-N 1 1 252.361 3.884 20 30 CHEDMO C#CC1CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000830316618 1131452075 /nfs/dbraw/zinc/45/20/75/1131452075.db2.gz ZXKOKZKCKASGOG-UHFFFAOYSA-N 1 1 286.400 3.557 20 30 CHEDMO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCC[C@@H]1N ZINC001246307010 1131455255 /nfs/dbraw/zinc/45/52/55/1131455255.db2.gz CMEFGVVIDCUUDH-PMPSAXMXSA-N 1 1 254.462 3.985 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000824297514 1131461631 /nfs/dbraw/zinc/46/16/31/1131461631.db2.gz VOZGCUDAQOTCLK-SNVBAGLBSA-N 1 1 292.354 3.542 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000824297514 1131461638 /nfs/dbraw/zinc/46/16/38/1131461638.db2.gz VOZGCUDAQOTCLK-SNVBAGLBSA-N 1 1 292.354 3.542 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc2ncccc2c1)C1CCCC1 ZINC001138110703 1131466075 /nfs/dbraw/zinc/46/60/75/1131466075.db2.gz WMJVHSTVAYIILJ-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO N#Cc1cccc2c1CC[C@H]2Nc1ccc(C2CC2)c[nH+]1 ZINC001171062591 1131478987 /nfs/dbraw/zinc/47/89/87/1131478987.db2.gz JNFQRMYZMWZMNW-QGZVFWFLSA-N 1 1 275.355 3.930 20 30 CHEDMO CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001138314133 1131489326 /nfs/dbraw/zinc/48/93/26/1131489326.db2.gz BRYAIDXENDECNI-ZDUSSCGKSA-N 1 1 281.403 3.811 20 30 CHEDMO CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001138314133 1131489330 /nfs/dbraw/zinc/48/93/30/1131489330.db2.gz BRYAIDXENDECNI-ZDUSSCGKSA-N 1 1 281.403 3.811 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000824988597 1131493846 /nfs/dbraw/zinc/49/38/46/1131493846.db2.gz OQDXDRFJIAIOBF-XYTVBORESA-N 1 1 264.457 3.726 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)c(C)c1 ZINC001137007380 1131503560 /nfs/dbraw/zinc/50/35/60/1131503560.db2.gz BTHPRPWOWVKMHD-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C#CCOc1ccc(C[N@@H+](C)CC2CCCCC2)cc1 ZINC001138557246 1131520796 /nfs/dbraw/zinc/52/07/96/1131520796.db2.gz CQIGLQDHBKVPEX-UHFFFAOYSA-N 1 1 271.404 3.711 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001143680908 1131523146 /nfs/dbraw/zinc/52/31/46/1131523146.db2.gz OJWHPFQCFUJUBW-ZDUSSCGKSA-N 1 1 281.321 3.859 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001138608547 1131525588 /nfs/dbraw/zinc/52/55/88/1131525588.db2.gz JWDQXBKXJSTEED-KRWDZBQOSA-N 1 1 282.431 3.522 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001143719497 1131525933 /nfs/dbraw/zinc/52/59/33/1131525933.db2.gz ZOGXNNHINDLATP-GXTWGEPZSA-N 1 1 274.795 3.834 20 30 CHEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC001138627853 1131528815 /nfs/dbraw/zinc/52/88/15/1131528815.db2.gz HCDCCBSLLDKBOC-WMLDXEAASA-N 1 1 271.404 3.885 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731233 1131528915 /nfs/dbraw/zinc/52/89/15/1131528915.db2.gz PEDFRMKFFCICFU-UHFFFAOYSA-N 1 1 262.784 4.000 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731233 1131528919 /nfs/dbraw/zinc/52/89/19/1131528919.db2.gz PEDFRMKFFCICFU-UHFFFAOYSA-N 1 1 262.784 4.000 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cccn2-c2ccccc2F)CC1 ZINC001138633454 1131531094 /nfs/dbraw/zinc/53/10/94/1131531094.db2.gz XTNVNAVMHDACRQ-UHFFFAOYSA-N 1 1 297.377 3.742 20 30 CHEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001138682885 1131536014 /nfs/dbraw/zinc/53/60/14/1131536014.db2.gz FBBVTZYUWMPDHY-HNNXBMFYSA-N 1 1 280.346 3.838 20 30 CHEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001138682885 1131536019 /nfs/dbraw/zinc/53/60/19/1131536019.db2.gz FBBVTZYUWMPDHY-HNNXBMFYSA-N 1 1 280.346 3.838 20 30 CHEDMO COc1c(F)cc(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC001143847188 1131536808 /nfs/dbraw/zinc/53/68/08/1131536808.db2.gz CWOPGMKVGXFKMR-UHFFFAOYSA-N 1 1 296.773 3.613 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138687938 1131536848 /nfs/dbraw/zinc/53/68/48/1131536848.db2.gz NZZQORSTOIOLRR-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cccnc1NC ZINC001138692353 1131538616 /nfs/dbraw/zinc/53/86/16/1131538616.db2.gz HOOYKNFEJKTUOV-UHFFFAOYSA-N 1 1 263.429 3.916 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cnc(SC)nc1 ZINC001138705367 1131539569 /nfs/dbraw/zinc/53/95/69/1131539569.db2.gz NJSMHRHCSDYIMW-UHFFFAOYSA-N 1 1 281.469 3.991 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(F)cnc1Cl ZINC001138896145 1131559337 /nfs/dbraw/zinc/55/93/37/1131559337.db2.gz UCWJGHUWTLPBFO-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO COc1ccc(Cl)c(C[NH+]2CCC(CC#N)CC2)c1F ZINC001143898493 1131549519 /nfs/dbraw/zinc/54/95/19/1131549519.db2.gz UKNCCGGOANKHEN-UHFFFAOYSA-N 1 1 296.773 3.613 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2C)C1 ZINC001143930358 1131557774 /nfs/dbraw/zinc/55/77/74/1131557774.db2.gz NLWFRDWHXYBNLT-CYBMUJFWSA-N 1 1 281.321 3.859 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1cc(F)cnc1Cl ZINC001138896145 1131559333 /nfs/dbraw/zinc/55/93/33/1131559333.db2.gz UCWJGHUWTLPBFO-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO CCCCOc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001138953983 1131563480 /nfs/dbraw/zinc/56/34/80/1131563480.db2.gz OGTKHHNVBQPNFV-MRXNPFEDSA-N 1 1 286.419 3.991 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000844441318 1131565044 /nfs/dbraw/zinc/56/50/44/1131565044.db2.gz MDQMKAMLDNQIPQ-AWEZNQCLSA-N 1 1 296.748 3.833 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(OCC)c(OCC)c1 ZINC001138974227 1131567406 /nfs/dbraw/zinc/56/74/06/1131567406.db2.gz KKXWTJRIOVGMPE-UHFFFAOYSA-N 1 1 290.407 3.610 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCC)c(OCC)c1 ZINC001138974227 1131567409 /nfs/dbraw/zinc/56/74/09/1131567409.db2.gz KKXWTJRIOVGMPE-UHFFFAOYSA-N 1 1 290.407 3.610 20 30 CHEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171128787 1131570422 /nfs/dbraw/zinc/57/04/22/1131570422.db2.gz HMKLOLHVGGOUQI-GUYCJALGSA-N 1 1 288.822 3.823 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001139029161 1131575082 /nfs/dbraw/zinc/57/50/82/1131575082.db2.gz QBLZGPSGZIFIOM-CVEARBPZSA-N 1 1 271.404 3.873 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cncc(C#N)c1 ZINC001144080102 1131582106 /nfs/dbraw/zinc/58/21/06/1131582106.db2.gz VRFZVUDKKDKPNE-UHFFFAOYSA-N 1 1 259.397 3.746 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3ccn(CC)c3c2)C1 ZINC001139123999 1131584238 /nfs/dbraw/zinc/58/42/38/1131584238.db2.gz IGWVLKMWYRRLLR-HNNXBMFYSA-N 1 1 266.388 3.506 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc2c1ccn2C ZINC001139161042 1131589449 /nfs/dbraw/zinc/58/94/49/1131589449.db2.gz CZZJVXJQDIFWKK-UHFFFAOYSA-N 1 1 256.393 3.966 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC001139165667 1131590341 /nfs/dbraw/zinc/59/03/41/1131590341.db2.gz FZNAZUDQDPBUOS-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc2c(ccn2C)c1 ZINC001139192821 1131593906 /nfs/dbraw/zinc/59/39/06/1131593906.db2.gz OSOZPILTAWFAJD-UHFFFAOYSA-N 1 1 256.393 3.966 20 30 CHEDMO Cn1ccc2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc21 ZINC001139205585 1131595722 /nfs/dbraw/zinc/59/57/22/1131595722.db2.gz NHIJNJUHJKLUAD-UHFFFAOYSA-N 1 1 289.382 3.682 20 30 CHEDMO C#CC1CC[NH+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001139285608 1131600653 /nfs/dbraw/zinc/60/06/53/1131600653.db2.gz XNYBIQAFHHQBHJ-UHFFFAOYSA-N 1 1 299.805 3.575 20 30 CHEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407078 1131606974 /nfs/dbraw/zinc/60/69/74/1131606974.db2.gz OZAWMZAFRQNQDW-SFHVURJKSA-N 1 1 291.398 3.995 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402882 1131607191 /nfs/dbraw/zinc/60/71/91/1131607191.db2.gz ZYXNTBSHLIYILX-CQSZACIVSA-N 1 1 279.387 3.851 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519145 1131612700 /nfs/dbraw/zinc/61/27/00/1131612700.db2.gz NJIHDWPDJWZEMO-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001139527063 1131613828 /nfs/dbraw/zinc/61/38/28/1131613828.db2.gz VDJGHWKQXLJFPD-QWHCGFSZSA-N 1 1 260.356 3.565 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144391598 1131623112 /nfs/dbraw/zinc/62/31/12/1131623112.db2.gz RGWDXKDGFFLORO-LLVKDONJSA-N 1 1 298.308 3.537 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144391598 1131623115 /nfs/dbraw/zinc/62/31/15/1131623115.db2.gz RGWDXKDGFFLORO-LLVKDONJSA-N 1 1 298.308 3.537 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1C(C)C ZINC001139621654 1131624034 /nfs/dbraw/zinc/62/40/34/1131624034.db2.gz QAAIDBXTPOUDPX-OAHLLOKOSA-N 1 1 286.419 3.944 20 30 CHEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1CC ZINC001139624233 1131624280 /nfs/dbraw/zinc/62/42/80/1131624280.db2.gz VYGMDVUFSVKNBK-OAHLLOKOSA-N 1 1 286.419 3.773 20 30 CHEDMO CCCCC[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139701709 1131630060 /nfs/dbraw/zinc/63/00/60/1131630060.db2.gz OGGICVQXLKFFKG-UHFFFAOYSA-N 1 1 255.365 3.662 20 30 CHEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139692197 1131630165 /nfs/dbraw/zinc/63/01/65/1131630165.db2.gz QOZKQOKZWQQAQT-OAHLLOKOSA-N 1 1 292.810 3.601 20 30 CHEDMO Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)cc1C#N ZINC001139723290 1131632475 /nfs/dbraw/zinc/63/24/75/1131632475.db2.gz ZHHOKIVLCLMPHX-HNNXBMFYSA-N 1 1 276.383 3.986 20 30 CHEDMO C=CCn1cc(C[N@H+](CCCC)Cc2ccccc2)cn1 ZINC001139770073 1131635800 /nfs/dbraw/zinc/63/58/00/1131635800.db2.gz BSZYNRIRJKTKQX-UHFFFAOYSA-N 1 1 283.419 3.871 20 30 CHEDMO C=CCn1cc(C[N@H+](C)[C@H](CC)c2ccccc2)cn1 ZINC001139772871 1131636422 /nfs/dbraw/zinc/63/64/22/1131636422.db2.gz RPGKVTVRVLWJNN-QGZVFWFLSA-N 1 1 269.392 3.652 20 30 CHEDMO C=CCn1cc(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC001139772358 1131636944 /nfs/dbraw/zinc/63/69/44/1131636944.db2.gz GNKCDPMMEMJFML-CYBMUJFWSA-N 1 1 289.810 3.916 20 30 CHEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC001139876248 1131644213 /nfs/dbraw/zinc/64/42/13/1131644213.db2.gz OGKCTBBSHVQLRY-VMPITWQZSA-N 1 1 280.346 3.843 20 30 CHEDMO C#Cc1ccc(C[N@@H+](C)CCc2cccc(C)c2)cc1 ZINC001144576599 1131661956 /nfs/dbraw/zinc/66/19/56/1131661956.db2.gz OPCYJTJXTUIGTR-UHFFFAOYSA-N 1 1 263.384 3.651 20 30 CHEDMO C#Cc1ccc(C[N@H+](CC)Cc2cccc(OC)c2)cc1 ZINC001144576974 1131662071 /nfs/dbraw/zinc/66/20/71/1131662071.db2.gz ZBCNTVGLZBGOIX-UHFFFAOYSA-N 1 1 279.383 3.699 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110739 1131665444 /nfs/dbraw/zinc/66/54/44/1131665444.db2.gz RSRMSBALRFZKCN-CYBMUJFWSA-N 1 1 267.376 3.662 20 30 CHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001140141359 1131666995 /nfs/dbraw/zinc/66/69/95/1131666995.db2.gz UDQQFNCLEAOLRM-NNUKFRKNSA-N 1 1 260.356 3.708 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc2cnccc21)C1CCCC1 ZINC001140144931 1131668036 /nfs/dbraw/zinc/66/80/36/1131668036.db2.gz WURYRJNZPCLUSN-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO C#CC[N@@H+](Cc1cc2cnccc2o1)C1CCCCC1 ZINC000845904596 1131669248 /nfs/dbraw/zinc/66/92/48/1131669248.db2.gz FWWUWPVCVMPPBX-UHFFFAOYSA-N 1 1 268.360 3.596 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1 ZINC001140173138 1131672291 /nfs/dbraw/zinc/67/22/91/1131672291.db2.gz MYMYSFLPOPAIGT-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1 ZINC001140173138 1131672293 /nfs/dbraw/zinc/67/22/93/1131672293.db2.gz MYMYSFLPOPAIGT-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO N#CCC[N@@H+](Cc1c[nH]c2cccc(O)c12)C1CCCC1 ZINC001140233630 1131679583 /nfs/dbraw/zinc/67/95/83/1131679583.db2.gz RNXJDNQXZLZMRC-UHFFFAOYSA-N 1 1 283.375 3.532 20 30 CHEDMO N#CCC[N@H+](Cc1c[nH]c2cccc(O)c12)C1CCCC1 ZINC001140233630 1131679586 /nfs/dbraw/zinc/67/95/86/1131679586.db2.gz RNXJDNQXZLZMRC-UHFFFAOYSA-N 1 1 283.375 3.532 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144711392 1131686951 /nfs/dbraw/zinc/68/69/51/1131686951.db2.gz XHYODWPIZMLLAJ-UHFFFAOYSA-N 1 1 287.366 3.598 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140317875 1131695158 /nfs/dbraw/zinc/69/51/58/1131695158.db2.gz TYQXNRQKJCKDIC-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140317873 1131695550 /nfs/dbraw/zinc/69/55/50/1131695550.db2.gz TYQXNRQKJCKDIC-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001171220490 1131703901 /nfs/dbraw/zinc/70/39/01/1131703901.db2.gz AOHFTXWHEYFBDO-QLFBSQMISA-N 1 1 256.393 3.610 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140381401 1131709588 /nfs/dbraw/zinc/70/95/88/1131709588.db2.gz YKCBRSBYVWHAIB-MRXNPFEDSA-N 1 1 276.383 3.594 20 30 CHEDMO COc1cccc2c1C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171228359 1131711019 /nfs/dbraw/zinc/71/10/19/1131711019.db2.gz FWIXGOPPHCFLBQ-AWEZNQCLSA-N 1 1 292.382 3.514 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CC[C@@H](C)CC1 ZINC001171231855 1131712981 /nfs/dbraw/zinc/71/29/81/1131712981.db2.gz MUUCSBWTGFMXSY-MPGHIAIKSA-N 1 1 270.420 4.000 20 30 CHEDMO CC(C)(CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000846842378 1131748979 /nfs/dbraw/zinc/74/89/79/1131748979.db2.gz UIPGUVHNNIEJHW-GOSISDBHSA-N 1 1 298.430 3.758 20 30 CHEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000846855591 1131752352 /nfs/dbraw/zinc/75/23/52/1131752352.db2.gz HBEPTOLPILOTKG-GOSISDBHSA-N 1 1 296.418 3.581 20 30 CHEDMO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000846855591 1131752359 /nfs/dbraw/zinc/75/23/59/1131752359.db2.gz HBEPTOLPILOTKG-GOSISDBHSA-N 1 1 296.418 3.581 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140540335 1131785048 /nfs/dbraw/zinc/78/50/48/1131785048.db2.gz RXGRPZMBNCYGAJ-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO C=CC[C@H](Oc1cc2c(cc1OC)CC[NH+]=C2)C(C)C ZINC001228091930 1131808560 /nfs/dbraw/zinc/80/85/60/1131808560.db2.gz KPTYAZTUCXVRNB-HNNXBMFYSA-N 1 1 273.376 3.650 20 30 CHEDMO CCCCCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC001147112377 1131810094 /nfs/dbraw/zinc/81/00/94/1131810094.db2.gz VKNVLXCGQQHDBH-MRXNPFEDSA-N 1 1 282.472 3.680 20 30 CHEDMO C=CCCC1(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC001147182697 1131815072 /nfs/dbraw/zinc/81/50/72/1131815072.db2.gz KYEVPSWDUCCFAV-OAHLLOKOSA-N 1 1 292.467 3.502 20 30 CHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000772986127 1131844000 /nfs/dbraw/zinc/84/40/00/1131844000.db2.gz ADRUHOZSTOOBMH-AWEZNQCLSA-N 1 1 283.371 3.705 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CCC2)C1 ZINC000348171945 1131897562 /nfs/dbraw/zinc/89/75/62/1131897562.db2.gz WRNINURSMFXHEL-AWEZNQCLSA-N 1 1 254.377 3.885 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(F)cn1 ZINC000348222589 1131904409 /nfs/dbraw/zinc/90/44/09/1131904409.db2.gz FOKJCNNRARIRTK-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cn1 ZINC000348222589 1131904419 /nfs/dbraw/zinc/90/44/19/1131904419.db2.gz FOKJCNNRARIRTK-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C=CC[N@H+](Cc1ccc2ncn(C)c2c1)C1CCCCC1 ZINC001140743056 1131905144 /nfs/dbraw/zinc/90/51/44/1131905144.db2.gz WIRCYGADOZNNFU-UHFFFAOYSA-N 1 1 283.419 3.894 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140757308 1131908372 /nfs/dbraw/zinc/90/83/72/1131908372.db2.gz YGJQPDZBOGTXGF-UHFFFAOYSA-N 1 1 292.354 3.920 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1coc3ccccc13)CC2 ZINC001140782820 1131915635 /nfs/dbraw/zinc/91/56/35/1131915635.db2.gz XOBLJASMYYFZRV-UHFFFAOYSA-N 1 1 288.350 3.863 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2Cl)CCC1(F)F ZINC001140807997 1131931775 /nfs/dbraw/zinc/93/17/75/1131931775.db2.gz JHCWNIQQQWAWLH-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC1(F)F ZINC001140807997 1131931779 /nfs/dbraw/zinc/93/17/79/1131931779.db2.gz JHCWNIQQQWAWLH-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2Cl)CCC1(F)F ZINC001140807998 1131933265 /nfs/dbraw/zinc/93/32/65/1131933265.db2.gz JHCWNIQQQWAWLH-SNVBAGLBSA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC1(F)F ZINC001140807998 1131933269 /nfs/dbraw/zinc/93/32/69/1131933269.db2.gz JHCWNIQQQWAWLH-SNVBAGLBSA-N 1 1 284.737 3.689 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1Cl ZINC001140811210 1131933284 /nfs/dbraw/zinc/93/32/84/1131933284.db2.gz MLZFDKDNJKBBTE-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001247621824 1131956218 /nfs/dbraw/zinc/95/62/18/1131956218.db2.gz AANJCNVGBVFBLE-SECBINFHSA-N 1 1 299.708 3.634 20 30 CHEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228994240 1131995370 /nfs/dbraw/zinc/99/53/70/1131995370.db2.gz BRTAMWBMVQWXFW-HNNXBMFYSA-N 1 1 286.419 3.719 20 30 CHEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001171426408 1132009435 /nfs/dbraw/zinc/00/94/35/1132009435.db2.gz LNTXBGXWOIBUAN-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112221 1132020976 /nfs/dbraw/zinc/02/09/76/1132020976.db2.gz UJQLQCOKIMICJH-SECBINFHSA-N 1 1 283.828 3.620 20 30 CHEDMO Cc1cccc(C#N)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001229182892 1132035219 /nfs/dbraw/zinc/03/52/19/1132035219.db2.gz NJAHGZPIEUUBNU-FVQHAEBGSA-N 1 1 284.403 3.649 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC001141198893 1132042906 /nfs/dbraw/zinc/04/29/06/1132042906.db2.gz SLPYHJXBARSGFX-UHFFFAOYSA-N 1 1 299.801 3.984 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541139 1132046310 /nfs/dbraw/zinc/04/63/10/1132046310.db2.gz GCQDBOFZTPNSPO-GFCCVEGCSA-N 1 1 296.336 3.587 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171520345 1132050526 /nfs/dbraw/zinc/05/05/26/1132050526.db2.gz AURLRUDLKWRWMN-LSDHHAIUSA-N 1 1 281.440 3.642 20 30 CHEDMO C[N@H+]1CC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229375254 1132059020 /nfs/dbraw/zinc/05/90/20/1132059020.db2.gz ZTTKWLAYJHMDKJ-QGZVFWFLSA-N 1 1 298.361 3.659 20 30 CHEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](F)C3)cc2)cc1 ZINC001141289269 1132072941 /nfs/dbraw/zinc/07/29/41/1132072941.db2.gz FOAMUJMMFBHNRJ-MRXNPFEDSA-N 1 1 296.345 3.894 20 30 CHEDMO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](F)C3)cc2)cc1 ZINC001141289269 1132072949 /nfs/dbraw/zinc/07/29/49/1132072949.db2.gz FOAMUJMMFBHNRJ-MRXNPFEDSA-N 1 1 296.345 3.894 20 30 CHEDMO C=CC[N@H+]([C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)(C)C ZINC001171767434 1132092791 /nfs/dbraw/zinc/09/27/91/1132092791.db2.gz NTQITZTZWAFGKD-WMZOPIPTSA-N 1 1 286.463 3.936 20 30 CHEDMO C=CCN([C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001171767434 1132092795 /nfs/dbraw/zinc/09/27/95/1132092795.db2.gz NTQITZTZWAFGKD-WMZOPIPTSA-N 1 1 286.463 3.936 20 30 CHEDMO C=CCN([C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001171767434 1132092804 /nfs/dbraw/zinc/09/28/04/1132092804.db2.gz NTQITZTZWAFGKD-WMZOPIPTSA-N 1 1 286.463 3.936 20 30 CHEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171790212 1132101456 /nfs/dbraw/zinc/10/14/56/1132101456.db2.gz GRAPQIJKPIVXJQ-KRWDZBQOSA-N 1 1 294.373 3.709 20 30 CHEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171790212 1132101458 /nfs/dbraw/zinc/10/14/58/1132101458.db2.gz GRAPQIJKPIVXJQ-KRWDZBQOSA-N 1 1 294.373 3.709 20 30 CHEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001171966976 1132112303 /nfs/dbraw/zinc/11/23/03/1132112303.db2.gz QQLLKBCXHBTAMN-WFASDCNBSA-N 1 1 296.336 3.872 20 30 CHEDMO CCCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172107930 1132129021 /nfs/dbraw/zinc/12/90/21/1132129021.db2.gz LUBVGUPADJBYRI-OSYLJGHBSA-N 1 1 266.473 3.952 20 30 CHEDMO Cc1ccc2cc(C[N@H+]3CCC[C@H](C#N)CC3)ccc2n1 ZINC001141480730 1132140407 /nfs/dbraw/zinc/14/04/07/1132140407.db2.gz VIYGIDUFENMPOZ-HNNXBMFYSA-N 1 1 279.387 3.669 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCOc1ccccc1 ZINC001172307682 1132154111 /nfs/dbraw/zinc/15/41/11/1132154111.db2.gz QEOGXWQSCFRHBG-MRXNPFEDSA-N 1 1 294.398 3.500 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001172308773 1132154185 /nfs/dbraw/zinc/15/41/85/1132154185.db2.gz NDUVIJXTDRHACO-SWLSCSKDSA-N 1 1 296.336 3.558 20 30 CHEDMO CCC[N@@H+]([C@@H](C)CC)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308850 1132154231 /nfs/dbraw/zinc/15/42/31/1132154231.db2.gz NVVVAJKIZDUGKJ-GJZGRUSLSA-N 1 1 258.409 4.000 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001172313888 1132155256 /nfs/dbraw/zinc/15/52/56/1132155256.db2.gz GFGAWWLADXHRSU-KGLIPLIRSA-N 1 1 292.373 3.856 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC001172315986 1132156287 /nfs/dbraw/zinc/15/62/87/1132156287.db2.gz QODUITHAOLZSGR-HUUCEWRRSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001172315992 1132156361 /nfs/dbraw/zinc/15/63/61/1132156361.db2.gz QOOBQYHYQWFGAI-JCGIZDLHSA-N 1 1 268.404 3.611 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001172314586 1132156568 /nfs/dbraw/zinc/15/65/68/1132156568.db2.gz KFNUPQJKBJEDOF-DOMZBBRYSA-N 1 1 296.336 3.558 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccc(F)cc1 ZINC001172318266 1132157290 /nfs/dbraw/zinc/15/72/90/1132157290.db2.gz DKPCOOXXGILDIA-HNNXBMFYSA-N 1 1 296.389 3.803 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(F)c1 ZINC001172316752 1132157630 /nfs/dbraw/zinc/15/76/30/1132157630.db2.gz WYUQVWLJNMEJOR-CQSZACIVSA-N 1 1 282.362 3.760 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC001172316827 1132157641 /nfs/dbraw/zinc/15/76/41/1132157641.db2.gz YBGRTUAQCREDNX-CYBMUJFWSA-N 1 1 282.412 3.609 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]1c1ccccc1 ZINC001172318949 1132158501 /nfs/dbraw/zinc/15/85/01/1132158501.db2.gz JUKGFJJJBDORAZ-KXBFYZLASA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001172320995 1132158569 /nfs/dbraw/zinc/15/85/69/1132158569.db2.gz XXYSZAXOPAYWHC-ILXRZTDVSA-N 1 1 256.393 3.610 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001172355862 1132184505 /nfs/dbraw/zinc/18/45/05/1132184505.db2.gz DSRZVHJPPBIQID-ARFHVFGLSA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001172357654 1132185509 /nfs/dbraw/zinc/18/55/09/1132185509.db2.gz LLFDMSZOGAYTFB-HRCADAONSA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2ccnc2C1 ZINC001172359281 1132186634 /nfs/dbraw/zinc/18/66/34/1132186634.db2.gz UOXMMWRQWMHNQB-OAHLLOKOSA-N 1 1 263.429 3.838 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2ccnc2C1 ZINC001172359281 1132186636 /nfs/dbraw/zinc/18/66/36/1132186636.db2.gz UOXMMWRQWMHNQB-OAHLLOKOSA-N 1 1 263.429 3.838 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCCN(C(C)=O)CC1 ZINC001172358109 1132186904 /nfs/dbraw/zinc/18/69/04/1132186904.db2.gz OANUIHSZVWXLHK-KRWDZBQOSA-N 1 1 282.472 3.680 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2cncnc2C1 ZINC001172358597 1132187078 /nfs/dbraw/zinc/18/70/78/1132187078.db2.gz QUPSPDMYZDRCQQ-HNNXBMFYSA-N 1 1 261.413 3.931 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2cncnc2C1 ZINC001172358597 1132187081 /nfs/dbraw/zinc/18/70/81/1132187081.db2.gz QUPSPDMYZDRCQQ-HNNXBMFYSA-N 1 1 261.413 3.931 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2c(cnn2C)C1 ZINC001172362354 1132189027 /nfs/dbraw/zinc/18/90/27/1132189027.db2.gz WPRQFESRGDUELK-INIZCTEOSA-N 1 1 277.456 3.917 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001172362134 1132189419 /nfs/dbraw/zinc/18/94/19/1132189419.db2.gz SOUSLLPAAUBLOH-DLBZAZTESA-N 1 1 294.483 3.822 20 30 CHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](CC)CC(C)C)C2 ZINC001172397611 1132220435 /nfs/dbraw/zinc/22/04/35/1132220435.db2.gz LOSBTLBONZLHGD-FGTMMUONSA-N 1 1 295.467 3.637 20 30 CHEDMO CC(C)COCC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001172472651 1132226069 /nfs/dbraw/zinc/22/60/69/1132226069.db2.gz ZPIUUKYQEIDIAR-HNNXBMFYSA-N 1 1 266.429 3.596 20 30 CHEDMO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172478144 1132227664 /nfs/dbraw/zinc/22/76/64/1132227664.db2.gz BUJJXFBNZJTQGR-MJGOQNOKSA-N 1 1 299.462 3.571 20 30 CHEDMO CCCCCCCC[N@@H+](CCN)[C@@H](C)CCCC#N ZINC001172485729 1132230760 /nfs/dbraw/zinc/23/07/60/1132230760.db2.gz SZMIJPJAFMRTOW-INIZCTEOSA-N 1 1 267.461 3.690 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c3ccccc3oc2C1 ZINC001172498011 1132248043 /nfs/dbraw/zinc/24/80/43/1132248043.db2.gz IEABRCWXXLXWQT-ZDUSSCGKSA-N 1 1 268.360 3.873 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001172497245 1132248082 /nfs/dbraw/zinc/24/80/82/1132248082.db2.gz ADPOUIYJFGXPQD-WBVHZDCISA-N 1 1 256.393 3.948 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001172501085 1132250437 /nfs/dbraw/zinc/25/04/37/1132250437.db2.gz PEUMCCULQCJQRZ-HIFRSBDPSA-N 1 1 260.356 3.697 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001172504972 1132254230 /nfs/dbraw/zinc/25/42/30/1132254230.db2.gz IMYZLKFCIVQKBW-HOTGVXAUSA-N 1 1 282.472 3.713 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001172507412 1132255542 /nfs/dbraw/zinc/25/55/42/1132255542.db2.gz TZFSPIOLAXCARM-GFCCVEGCSA-N 1 1 250.773 3.854 20 30 CHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CCCC#N ZINC001172508958 1132257425 /nfs/dbraw/zinc/25/74/25/1132257425.db2.gz IBHNTDRSRBIIOI-HNNXBMFYSA-N 1 1 273.424 3.657 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172510410 1132257881 /nfs/dbraw/zinc/25/78/81/1132257881.db2.gz BOJAAKWRYMLMBR-ILXRZTDVSA-N 1 1 267.413 3.515 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172510410 1132257886 /nfs/dbraw/zinc/25/78/86/1132257886.db2.gz BOJAAKWRYMLMBR-ILXRZTDVSA-N 1 1 267.413 3.515 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)c(SC)n1)[C@@H](C)CC ZINC001141929043 1132270504 /nfs/dbraw/zinc/27/05/04/1132270504.db2.gz JHHMPWYXHLQTLK-LBPRGKRZSA-N 1 1 277.437 3.686 20 30 CHEDMO CCC(CC)[N@@H+](CC)Cc1ccc(C#N)c(SC)n1 ZINC001141941490 1132270903 /nfs/dbraw/zinc/27/09/03/1132270903.db2.gz LZMCUCQPXXMQOV-UHFFFAOYSA-N 1 1 277.437 3.686 20 30 CHEDMO CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H](O)CN ZINC001172564529 1132271228 /nfs/dbraw/zinc/27/12/28/1132271228.db2.gz IEDHIYHXCZTFQF-SJORKVTESA-N 1 1 286.504 3.595 20 30 CHEDMO CC[N@H+]1CC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200252 1132272003 /nfs/dbraw/zinc/27/20/03/1132272003.db2.gz LNAVYQXVFVCLQQ-YFQSIASUSA-N 1 1 294.398 3.910 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566929 1132272960 /nfs/dbraw/zinc/27/29/60/1132272960.db2.gz ALMPDEGMZGEOPV-ZACQAIPSSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545439 1132279732 /nfs/dbraw/zinc/27/97/32/1132279732.db2.gz ABKHXRSYYNYWGX-SQNIBIBYSA-N 1 1 268.404 3.948 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172618059 1132284433 /nfs/dbraw/zinc/28/44/33/1132284433.db2.gz QCIMSLAYNCGOEX-HUUCEWRRSA-N 1 1 269.429 3.620 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172632175 1132285163 /nfs/dbraw/zinc/28/51/63/1132285163.db2.gz IDMMLWLNCGPFRP-HOCLYGCPSA-N 1 1 279.424 3.539 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172632171 1132285954 /nfs/dbraw/zinc/28/59/54/1132285954.db2.gz IDMMLWLNCGPFRP-GDBMZVCRSA-N 1 1 279.424 3.539 20 30 CHEDMO Cc1[nH]c2ccc(Nc3c(F)cc(C#N)cc3F)cc2[nH+]1 ZINC001213074123 1132315044 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C=CCCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224509664 1135455809 /nfs/dbraw/zinc/45/58/09/1135455809.db2.gz OXFXDCDWBZMYHG-MRXNPFEDSA-N 1 1 279.811 3.897 20 30 CHEDMO CC#C[C@@H](CC)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224822113 1135486146 /nfs/dbraw/zinc/48/61/46/1135486146.db2.gz AEQGUOKJWWULSP-RTBURBONSA-N 1 1 285.431 3.717 20 30 CHEDMO CC#C[C@H](CC)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224822102 1135485820 /nfs/dbraw/zinc/48/58/20/1135485820.db2.gz AEQGUOKJWWULSP-OALUTQOASA-N 1 1 285.431 3.717 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cccnc2C[NH+](C)C)C1 ZINC001225280938 1135534679 /nfs/dbraw/zinc/53/46/79/1135534679.db2.gz PYDUDWXZGMLQDF-QAPCUYQASA-N 1 1 286.419 3.823 20 30 CHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc2cccc(F)c2o1 ZINC000573417801 334936200 /nfs/dbraw/zinc/93/62/00/334936200.db2.gz GJDAPOLCRVJCDP-VXGBXAGGSA-N 1 1 285.322 3.666 20 30 CHEDMO C=CC[N@@H+](CCOCC(F)F)Cc1ccc(Cl)s1 ZINC000188581962 262319322 /nfs/dbraw/zinc/31/93/22/262319322.db2.gz 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Cn1c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2[nH+]c1C1CC1 ZINC000333076538 228189519 /nfs/dbraw/zinc/18/95/19/228189519.db2.gz LFUBFPMKGDXXLB-DGCLKSJQSA-N 1 1 280.375 3.555 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(F)c(F)c1 ZINC000187374760 260033638 /nfs/dbraw/zinc/03/36/38/260033638.db2.gz WWQCVCDTUVFCGY-MRXNPFEDSA-N 1 1 291.345 3.588 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000179394003 260045376 /nfs/dbraw/zinc/04/53/76/260045376.db2.gz UGKQNQFORKFCRE-CYBMUJFWSA-N 1 1 295.810 3.516 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000179394003 260045379 /nfs/dbraw/zinc/04/53/79/260045379.db2.gz UGKQNQFORKFCRE-CYBMUJFWSA-N 1 1 295.810 3.516 20 30 CHEDMO CC[N@H+](C/C=C/c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000179816736 260074856 /nfs/dbraw/zinc/07/48/56/260074856.db2.gz AIORISLCHAPROK-MUBLQREKSA-N 1 1 262.784 3.835 20 30 CHEDMO CC[N@@H+](C/C=C/c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000179816736 260074858 /nfs/dbraw/zinc/07/48/58/260074858.db2.gz AIORISLCHAPROK-MUBLQREKSA-N 1 1 262.784 3.835 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cc(COC)on1)c1ccccc1 ZINC000297700474 260132129 /nfs/dbraw/zinc/13/21/29/260132129.db2.gz QLLGWCMKMVRPAJ-QGZVFWFLSA-N 1 1 286.375 3.618 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000054183893 260216624 /nfs/dbraw/zinc/21/66/24/260216624.db2.gz GZZYTRHCMZBWAS-LBPRGKRZSA-N 1 1 257.164 3.775 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cc1C#N ZINC000087833248 260219430 /nfs/dbraw/zinc/21/94/30/260219430.db2.gz WBRWNNYCWZRSNH-BBRMVZONSA-N 1 1 272.392 3.577 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000363468737 260274987 /nfs/dbraw/zinc/27/49/87/260274987.db2.gz MHYIJVZUGHCXGN-IRXDYDNUSA-N 1 1 286.419 3.514 20 30 CHEDMO N#CCCCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964792 260292036 /nfs/dbraw/zinc/29/20/36/260292036.db2.gz PGNIOXWCJPPQQB-OAHLLOKOSA-N 1 1 274.433 3.794 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000517853470 260312104 /nfs/dbraw/zinc/31/21/04/260312104.db2.gz 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ZINC000299688146 263252049 /nfs/dbraw/zinc/25/20/49/263252049.db2.gz NOQLDVCLCHHTMY-ZDUSSCGKSA-N 1 1 270.298 3.906 20 30 CHEDMO C=CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000341894895 263366822 /nfs/dbraw/zinc/36/68/22/263366822.db2.gz KHMDHESPMISNJC-CYBMUJFWSA-N 1 1 283.375 3.696 20 30 CHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000342156635 263401096 /nfs/dbraw/zinc/40/10/96/263401096.db2.gz CFNRMAAQSYPGSA-KBPBESRZSA-N 1 1 254.443 3.534 20 30 CHEDMO CC(C)C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330943172 264084219 /nfs/dbraw/zinc/08/42/19/264084219.db2.gz FDZCIPFSTWHTJN-NVXWUHKLSA-N 1 1 299.418 3.893 20 30 CHEDMO CCC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330964841 264090204 /nfs/dbraw/zinc/09/02/04/264090204.db2.gz BWTWPYWUKSCULO-GDBMZVCRSA-N 1 1 285.391 3.647 20 30 CHEDMO Cc1ccncc1CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425364423 264137653 /nfs/dbraw/zinc/13/76/53/264137653.db2.gz GJSBBBUDFILLIB-INIZCTEOSA-N 1 1 293.414 3.887 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000425364431 264137759 /nfs/dbraw/zinc/13/77/59/264137759.db2.gz GLXHWAWDTNHTPB-GFCCVEGCSA-N 1 1 281.384 3.684 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000425364432 264138112 /nfs/dbraw/zinc/13/81/12/264138112.db2.gz GLXHWAWDTNHTPB-LBPRGKRZSA-N 1 1 281.384 3.684 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343261830 264254365 /nfs/dbraw/zinc/25/43/65/264254365.db2.gz TUYRADFOXCBXSH-CQSZACIVSA-N 1 1 254.377 3.591 20 30 CHEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC2(C#N)CC2)CC1 ZINC000343294067 264388661 /nfs/dbraw/zinc/38/86/61/264388661.db2.gz APMNKPKHVSXQPC-UHFFFAOYSA-N 1 1 291.398 3.869 20 30 CHEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC2(C#N)CC2)CC1 ZINC000343294067 264388663 /nfs/dbraw/zinc/38/86/63/264388663.db2.gz APMNKPKHVSXQPC-UHFFFAOYSA-N 1 1 291.398 3.869 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cn(C(C)C)nn1)c1ccccc1 ZINC000289856817 264742487 /nfs/dbraw/zinc/74/24/87/264742487.db2.gz VSBXEZPNZINZQM-QGZVFWFLSA-N 1 1 284.407 3.656 20 30 CHEDMO C=CC[C@H]1[N@H+](CCOC2CCC2)CCCC1(C)C ZINC000347122329 265124562 /nfs/dbraw/zinc/12/45/62/265124562.db2.gz MXTXMIPIFZGNRQ-OAHLLOKOSA-N 1 1 251.414 3.622 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC3(CCCCC3)CC2)n1 ZINC000356404796 266108509 /nfs/dbraw/zinc/10/85/09/266108509.db2.gz JPVCPNSOSFRBFU-UHFFFAOYSA-N 1 1 289.448 3.951 20 30 CHEDMO C[C@H]1c2ccccc2C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000361074864 266779062 /nfs/dbraw/zinc/77/90/62/266779062.db2.gz VOWJVZXYTGVYCO-AWEZNQCLSA-N 1 1 278.355 3.514 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000361564663 266848463 /nfs/dbraw/zinc/84/84/63/266848463.db2.gz NNQLVDPFHYVZEL-UHFFFAOYSA-N 1 1 284.403 3.579 20 30 CHEDMO CCC[N@@H+](Cc1scnc1C)Cc1ccc(C#N)cc1 ZINC000119274579 267314358 /nfs/dbraw/zinc/31/43/58/267314358.db2.gz QJSREOSPEWYVLF-UHFFFAOYSA-N 1 1 285.416 3.735 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CCC1 ZINC000418139687 267361870 /nfs/dbraw/zinc/36/18/70/267361870.db2.gz IHYRKGXKOUULHQ-UHFFFAOYSA-N 1 1 284.403 3.791 20 30 CHEDMO C[C@H](F)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377125872 268049218 /nfs/dbraw/zinc/04/92/18/268049218.db2.gz JEQHKVDDRSJYCY-CWRNSKLLSA-N 1 1 260.356 3.506 20 30 CHEDMO C[C@H](F)CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000377125874 268049853 /nfs/dbraw/zinc/04/98/53/268049853.db2.gz JEQHKVDDRSJYCY-IMJJTQAJSA-N 1 1 260.356 3.506 20 30 CHEDMO CCOC1CC(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000377133148 268050620 /nfs/dbraw/zinc/05/06/20/268050620.db2.gz ZNGQNRJDHODWQD-JDGDGYACSA-N 1 1 298.430 3.573 20 30 CHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1C(F)(F)F ZINC000112534952 327962128 /nfs/dbraw/zinc/96/21/28/327962128.db2.gz ANSAAYVSNHCASE-NEPJUHHUSA-N 1 1 295.308 3.800 20 30 CHEDMO CCC(CC)[N@@H+](Cc1ccc(C#N)cc1OC)C1CC1 ZINC000534309697 328044938 /nfs/dbraw/zinc/04/49/38/328044938.db2.gz SNRSYHRUVHIBOS-UHFFFAOYSA-N 1 1 272.392 3.720 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000534337574 328049537 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CCOc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000353408110 328200526 /nfs/dbraw/zinc/20/05/26/328200526.db2.gz YHJHZBJVXPVQFU-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000353408110 328200527 /nfs/dbraw/zinc/20/05/27/328200527.db2.gz YHJHZBJVXPVQFU-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO Cc1cnc(CC[N@@H+](C)CCCCC(C)(C)C#N)s1 ZINC000277571154 328221693 /nfs/dbraw/zinc/22/16/93/328221693.db2.gz BLVZCFGIWGAYLP-UHFFFAOYSA-N 1 1 279.453 3.646 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000278553774 328227183 /nfs/dbraw/zinc/22/71/83/328227183.db2.gz HQTFVJXEOVYAGA-NXHRZFHOSA-N 1 1 268.404 3.732 20 30 CHEDMO CC[N@@H+](CCCSCC#N)Cc1cccc(Cl)c1 ZINC000074981785 328239502 /nfs/dbraw/zinc/23/95/02/328239502.db2.gz GYSZHBJCYOGKQC-UHFFFAOYSA-N 1 1 282.840 3.809 20 30 CHEDMO C[N@@H+](Cc1cc(Br)cs1)[C@H]1CC[C@H](C#N)C1 ZINC000293601900 328276982 /nfs/dbraw/zinc/27/69/82/328276982.db2.gz VCLRVWMKNCVEFL-ONGXEEELSA-N 1 1 299.237 3.635 20 30 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CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000042287589 1123783417 /nfs/dbraw/zinc/78/34/17/1123783417.db2.gz ZGHYZRUWDNLCRZ-NSHDSACASA-N 1 1 270.298 3.687 20 30 CHEDMO CC[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000042287589 1123783420 /nfs/dbraw/zinc/78/34/20/1123783420.db2.gz ZGHYZRUWDNLCRZ-NSHDSACASA-N 1 1 270.298 3.687 20 30 CHEDMO CC1(C)CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000446062358 1124108860 /nfs/dbraw/zinc/10/88/60/1124108860.db2.gz TXTRMPKPXRCGAS-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000103465915 1125364024 /nfs/dbraw/zinc/36/40/24/1125364024.db2.gz QMKHKGRJRPNKPM-UHFFFAOYSA-N 1 1 258.340 3.604 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(C)sc1C ZINC001138567836 1131522432 /nfs/dbraw/zinc/52/24/32/1131522432.db2.gz KMAMTCFUYKSSJN-UHFFFAOYSA-N 1 1 250.411 3.881 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(C)sc1C ZINC001138567836 1131522435 /nfs/dbraw/zinc/52/24/35/1131522435.db2.gz KMAMTCFUYKSSJN-UHFFFAOYSA-N 1 1 250.411 3.881 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143726498 1131527665 /nfs/dbraw/zinc/52/76/65/1131527665.db2.gz RXJVPJUQFBTILU-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143726498 1131527667 /nfs/dbraw/zinc/52/76/67/1131527667.db2.gz RXJVPJUQFBTILU-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139691970 1131629615 /nfs/dbraw/zinc/62/96/15/1131629615.db2.gz LSCZKAALZDEMKE-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139691970 1131629617 /nfs/dbraw/zinc/62/96/17/1131629617.db2.gz LSCZKAALZDEMKE-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C#N)c2)CC1 ZINC001139879562 1131645625 /nfs/dbraw/zinc/64/56/25/1131645625.db2.gz NVBHXMCFSSAJJI-YGUOUDRMSA-N 1 1 260.356 3.708 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000773004342 1131915628 /nfs/dbraw/zinc/91/56/28/1131915628.db2.gz KKOUMQNBRYPKLG-VIFPVBQESA-N 1 1 279.689 3.988 20 30 CHEDMO C[C@@]1(F)CCCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808274 1131931737 /nfs/dbraw/zinc/93/17/37/1131931737.db2.gz OJYAIYRTDMRIFN-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc(O)ccc1O ZINC001141158982 1132031150 /nfs/dbraw/zinc/03/11/50/1132031150.db2.gz USEBLWNKPKSQNO-UHFFFAOYSA-N 1 1 265.397 3.890 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+][C@H](CC)C(=O)OC ZINC001172347502 1132180925 /nfs/dbraw/zinc/18/09/25/1132180925.db2.gz WCKBORGDDDQBPZ-UONOGXRCSA-N 1 1 257.418 3.667 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc(Cl)nc1NC ZINC001142488478 1132401355 /nfs/dbraw/zinc/40/13/55/1132401355.db2.gz KGTRTCKMKUXMJN-UHFFFAOYSA-N 1 1 284.835 3.574 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1Cl ZINC001232115628 1132424289 /nfs/dbraw/zinc/42/42/89/1132424289.db2.gz XIEKTQBLOZXLRF-GFCCVEGCSA-N 1 1 284.737 3.689 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(OC)ccc1OC(C)C ZINC001232391301 1132464751 /nfs/dbraw/zinc/46/47/51/1132464751.db2.gz WNPSAQCXDUUUQN-UHFFFAOYSA-N 1 1 275.392 3.656 20 30 CHEDMO Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(C#N)c1 ZINC001232964299 1132549184 /nfs/dbraw/zinc/54/91/84/1132549184.db2.gz VCMKVKMEADOSFH-UHFFFAOYSA-N 1 1 282.309 3.641 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC001204300460 1133433046 /nfs/dbraw/zinc/43/30/46/1133433046.db2.gz RGMXWXBNYCQMBT-GJZGRUSLSA-N 1 1 259.393 3.872 20 30 CHEDMO C=CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001207898899 1133859346 /nfs/dbraw/zinc/85/93/46/1133859346.db2.gz HGZNKHRJOMUTOT-CALCHBBNSA-N 1 1 265.441 3.871 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]23CCOC3)CC1 ZINC001208178869 1133897884 /nfs/dbraw/zinc/89/78/84/1133897884.db2.gz XZZNNZCOTCDJCB-IAGOWNOFSA-N 1 1 261.409 3.544 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCC[C@@]12CCOC2 ZINC001209441331 1134021403 /nfs/dbraw/zinc/02/14/03/1134021403.db2.gz HWFWDGSPGLBJEP-INIZCTEOSA-N 1 1 251.414 3.768 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)c(OC)c1F ZINC001209700789 1134050299 /nfs/dbraw/zinc/05/02/99/1134050299.db2.gz NHTXUOLXCBVGLA-UHFFFAOYSA-N 1 1 271.763 3.886 20 30 CHEDMO C=C(C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224279415 1135434866 /nfs/dbraw/zinc/43/48/66/1135434866.db2.gz XGZJUHMKDASBFO-QGZVFWFLSA-N 1 1 259.393 3.634 20 30 CHEDMO C=CC[N@@H+](CCC1CCOCC1)C1CCCCC1 ZINC001202684374 1125508915 /nfs/dbraw/zinc/50/89/15/1125508915.db2.gz RSRLMIFNTSJGMQ-UHFFFAOYSA-N 1 1 251.414 3.624 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000532687844 1125515605 /nfs/dbraw/zinc/51/56/05/1125515605.db2.gz JMJSCPBCNNJYLM-UHFFFAOYSA-N 1 1 260.356 3.850 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134445929 1125519025 /nfs/dbraw/zinc/51/90/25/1125519025.db2.gz NFIDWRMJVOCZNO-VIFPVBQESA-N 1 1 276.327 3.527 20 30 CHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000135354445 1125524735 /nfs/dbraw/zinc/52/47/35/1125524735.db2.gz LODPBRBRYGHLKA-KGLIPLIRSA-N 1 1 254.443 3.534 20 30 CHEDMO CCC[N@H+](Cc1csc(C)n1)Cc1ccc(C#N)cc1 ZINC000120470830 1125546912 /nfs/dbraw/zinc/54/69/12/1125546912.db2.gz TZSQASMLERAWEX-UHFFFAOYSA-N 1 1 285.416 3.735 20 30 CHEDMO CCC[N@@H+](Cc1csc(C)n1)Cc1ccc(C#N)cc1 ZINC000120470830 1125546921 /nfs/dbraw/zinc/54/69/21/1125546921.db2.gz TZSQASMLERAWEX-UHFFFAOYSA-N 1 1 285.416 3.735 20 30 CHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)cc1 ZINC000120729448 1125550488 /nfs/dbraw/zinc/55/04/88/1125550488.db2.gz MJWNUEUJVDYKLU-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO Cc1ccc(C)c(OCCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532818337 1125584556 /nfs/dbraw/zinc/58/45/56/1125584556.db2.gz PJQBNKBVWLCPBT-HNNXBMFYSA-N 1 1 286.419 3.696 20 30 CHEDMO Cc1ccc(C)c(OCCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532818337 1125584562 /nfs/dbraw/zinc/58/45/62/1125584562.db2.gz PJQBNKBVWLCPBT-HNNXBMFYSA-N 1 1 286.419 3.696 20 30 CHEDMO Cc1ccc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc2c1 ZINC001137215910 1125595616 /nfs/dbraw/zinc/59/56/16/1125595616.db2.gz QMYVIDRGVWTBLJ-HNNXBMFYSA-N 1 1 279.387 3.669 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000886367015 1125674543 /nfs/dbraw/zinc/67/45/43/1125674543.db2.gz GDANGEXWXMWMHG-NZSAHSFTSA-N 1 1 283.415 3.642 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000886540718 1125687692 /nfs/dbraw/zinc/68/76/92/1125687692.db2.gz JRQVRJVFRBDODD-KBXCAEBGSA-N 1 1 277.371 3.536 20 30 CHEDMO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612353 1125698394 /nfs/dbraw/zinc/69/83/94/1125698394.db2.gz JHHYRDJFFVLHCQ-UWVGGRQHSA-N 1 1 298.146 3.559 20 30 CHEDMO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612353 1125698396 /nfs/dbraw/zinc/69/83/96/1125698396.db2.gz JHHYRDJFFVLHCQ-UWVGGRQHSA-N 1 1 298.146 3.559 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000614962682 1125700225 /nfs/dbraw/zinc/70/02/25/1125700225.db2.gz CFBQBLCTFJKYFB-CZUORRHYSA-N 1 1 266.344 3.702 20 30 CHEDMO Cc1csc(C[C@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000886692212 1125709644 /nfs/dbraw/zinc/70/96/44/1125709644.db2.gz UKPBYFFTVVTTFS-CQSZACIVSA-N 1 1 291.464 3.646 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCCC(C)(C)C#N ZINC000087608644 1125731303 /nfs/dbraw/zinc/73/13/03/1125731303.db2.gz ALGRBSIOOCCKNL-GFCCVEGCSA-N 1 1 262.422 3.997 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+](CC(F)F)C1CCC1 ZINC000887102087 1125740902 /nfs/dbraw/zinc/74/09/02/1125740902.db2.gz BKEKLYGDHGIORM-UHFFFAOYSA-N 1 1 258.356 3.826 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102087 1125740908 /nfs/dbraw/zinc/74/09/08/1125740908.db2.gz BKEKLYGDHGIORM-UHFFFAOYSA-N 1 1 258.356 3.826 20 30 CHEDMO CCOc1ccc(C2=CC[N@@H+](CCCCC#N)CC2)cc1 ZINC000091800320 1125754520 /nfs/dbraw/zinc/75/45/20/1125754520.db2.gz ABJGNVAFHLPAMQ-UHFFFAOYSA-N 1 1 284.403 3.868 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(C(F)(F)F)c1 ZINC000092125010 1125758384 /nfs/dbraw/zinc/75/83/84/1125758384.db2.gz FPTSJNKEUVYIOP-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(C(F)(F)F)c1 ZINC000092125010 1125758395 /nfs/dbraw/zinc/75/83/95/1125758395.db2.gz FPTSJNKEUVYIOP-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093612448 1125771490 /nfs/dbraw/zinc/77/14/90/1125771490.db2.gz RWWJMZCYXDBFTF-LLVKDONJSA-N 1 1 289.404 3.672 20 30 CHEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093612448 1125771496 /nfs/dbraw/zinc/77/14/96/1125771496.db2.gz RWWJMZCYXDBFTF-LLVKDONJSA-N 1 1 289.404 3.672 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](CC)CC(C)C)cc1 ZINC000768335413 1129850513 /nfs/dbraw/zinc/85/05/13/1129850513.db2.gz ORRCJWORQWTOEI-UHFFFAOYSA-N 1 1 259.393 3.567 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000768339714 1129851829 /nfs/dbraw/zinc/85/18/29/1129851829.db2.gz VEBHDSOJPZZWST-HNNXBMFYSA-N 1 1 273.424 3.657 20 30 CHEDMO CCOc1ccc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001238709238 1131236287 /nfs/dbraw/zinc/23/62/87/1131236287.db2.gz UJOJKWNLFDRUAJ-XGBSXSJOSA-N 1 1 284.403 3.660 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000769962671 1129931863 /nfs/dbraw/zinc/93/18/63/1129931863.db2.gz HFXFNXAWZSISRT-LBPRGKRZSA-N 1 1 265.784 3.581 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cccc(Br)c1OC ZINC000481713604 1126709106 /nfs/dbraw/zinc/70/91/06/1126709106.db2.gz RYJLPZPWPZGSNZ-UHFFFAOYSA-N 1 1 296.208 3.632 20 30 CHEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000150881379 1126746496 /nfs/dbraw/zinc/74/64/96/1126746496.db2.gz KUUSGWFUMUQCOG-GFCCVEGCSA-N 1 1 263.385 3.686 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000150881379 1126746499 /nfs/dbraw/zinc/74/64/99/1126746499.db2.gz KUUSGWFUMUQCOG-GFCCVEGCSA-N 1 1 263.385 3.686 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000138870123 1126747208 /nfs/dbraw/zinc/74/72/08/1126747208.db2.gz QBTBRRROUUTVQP-GOSISDBHSA-N 1 1 278.355 3.601 20 30 CHEDMO C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CC)cc(OC)c1O ZINC000482496228 1126762280 /nfs/dbraw/zinc/76/22/80/1126762280.db2.gz OBZZRMXSMBBULM-BBRMVZONSA-N 1 1 289.419 3.750 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCCC#N)C1 ZINC000174045535 1126765906 /nfs/dbraw/zinc/76/59/06/1126765906.db2.gz GTDPVOLALSJLDE-CJNGLKHVSA-N 1 1 260.356 3.902 20 30 CHEDMO CCC(CC)c1cc(C[NH2+]Cc2ccc(C#N)cc2)on1 ZINC000174547363 1126771317 /nfs/dbraw/zinc/77/13/17/1126771317.db2.gz YMYVOLFNKGSYIR-UHFFFAOYSA-N 1 1 283.375 3.740 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(OC)CCCC1 ZINC000483170240 1126771699 /nfs/dbraw/zinc/77/16/99/1126771699.db2.gz RURSYIRWNIJKAX-UHFFFAOYSA-N 1 1 286.419 3.729 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000174833590 1126773884 /nfs/dbraw/zinc/77/38/84/1126773884.db2.gz XMYIIVURMDFHSV-NVXWUHKLSA-N 1 1 286.419 3.778 20 30 CHEDMO C#CC[N@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000174835056 1126774006 /nfs/dbraw/zinc/77/40/06/1126774006.db2.gz STYFXDZRBNPRFR-UHFFFAOYSA-N 1 1 272.367 3.591 20 30 CHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000483283883 1126779007 /nfs/dbraw/zinc/77/90/07/1126779007.db2.gz JDXHQKXJULTDOK-SFHVURJKSA-N 1 1 295.430 3.740 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000175122201 1126777664 /nfs/dbraw/zinc/77/76/64/1126777664.db2.gz MOKHDGXTCXLYHR-SFHVURJKSA-N 1 1 279.387 3.624 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000483539639 1126792855 /nfs/dbraw/zinc/79/28/55/1126792855.db2.gz BNPDJWINKKZJID-LJQANCHMSA-N 1 1 261.368 3.657 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483601760 1126795008 /nfs/dbraw/zinc/79/50/08/1126795008.db2.gz XOXNZUUOYXKGAL-IBGZPJMESA-N 1 1 291.394 3.884 20 30 CHEDMO C[C@H](O[NH+]=C(N)C1CCCC1)c1ncc(C(C)(C)C)o1 ZINC000177068443 1126797277 /nfs/dbraw/zinc/79/72/77/1126797277.db2.gz NZZBRZORJUENPW-JTQLQIEISA-N 1 1 279.384 3.512 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000483737089 1126799399 /nfs/dbraw/zinc/79/93/99/1126799399.db2.gz ZOARNOCQZDUCEJ-RCCFBDPRSA-N 1 1 268.404 3.948 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000483953044 1126806947 /nfs/dbraw/zinc/80/69/47/1126806947.db2.gz AHYIRBIGEYZIQW-APWZRJJASA-N 1 1 261.368 3.731 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483963305 1126805613 /nfs/dbraw/zinc/80/56/13/1126805613.db2.gz QMWVRMQPYUFQMV-SUYBPPKGSA-N 1 1 272.367 3.850 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000483923118 1126805936 /nfs/dbraw/zinc/80/59/36/1126805936.db2.gz KRRWWRQZCSPVLJ-UHFFFAOYSA-N 1 1 285.456 3.790 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483923114 1126805945 /nfs/dbraw/zinc/80/59/45/1126805945.db2.gz KQSZGBPIBPIOMG-LJQANCHMSA-N 1 1 294.373 3.861 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1F ZINC000483937293 1126805985 /nfs/dbraw/zinc/80/59/85/1126805985.db2.gz FPIGMLAOBNKKNG-QGZVFWFLSA-N 1 1 280.346 3.514 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cc(F)cc(Cl)c1 ZINC001255165235 1130534760 /nfs/dbraw/zinc/53/47/60/1130534760.db2.gz VUFHWCJQQLBJGA-NOZJJQNGSA-N 1 1 254.736 3.822 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCC#N ZINC000483936557 1126806148 /nfs/dbraw/zinc/80/61/48/1126806148.db2.gz AELLTXPZOQOHTD-QGZVFWFLSA-N 1 1 258.409 3.942 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483939496 1126806382 /nfs/dbraw/zinc/80/63/82/1126806382.db2.gz JXILQQLZRMSJSP-STQMWFEESA-N 1 1 260.356 3.708 20 30 CHEDMO Cc1ncc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)s1 ZINC000178517288 1126815302 /nfs/dbraw/zinc/81/53/02/1126815302.db2.gz LZRMTAOIJWKFIL-UHFFFAOYSA-N 1 1 299.443 3.885 20 30 CHEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1cccc(Cl)c1F ZINC000484572010 1126828312 /nfs/dbraw/zinc/82/83/12/1126828312.db2.gz MOIOCCZIBSKDLB-NSHDSACASA-N 1 1 271.763 3.675 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cccc(Cl)c1F ZINC000484572010 1126828314 /nfs/dbraw/zinc/82/83/14/1126828314.db2.gz MOIOCCZIBSKDLB-NSHDSACASA-N 1 1 271.763 3.675 20 30 CHEDMO C=CC[N@H+](C[C@@H](O)Cc1ccccc1)CC1CCCCC1 ZINC000484571639 1126828796 /nfs/dbraw/zinc/82/87/96/1126828796.db2.gz UMUGECHMISMFPM-IBGZPJMESA-N 1 1 287.447 3.658 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](C)CCSc1ccccc1 ZINC000484587779 1126831022 /nfs/dbraw/zinc/83/10/22/1126831022.db2.gz VFOYMNSBPXJDES-HNNXBMFYSA-N 1 1 279.449 3.692 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cn1cc(C)cnc1=S ZINC000758333484 1130606089 /nfs/dbraw/zinc/60/60/89/1130606089.db2.gz VBDHSRQGMJYOLL-UHFFFAOYSA-N 1 1 265.426 3.557 20 30 CHEDMO C=CCCCCC[N@H+](C)Cn1cc(C)cnc1=S ZINC000758333484 1130606093 /nfs/dbraw/zinc/60/60/93/1130606093.db2.gz VBDHSRQGMJYOLL-UHFFFAOYSA-N 1 1 265.426 3.557 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(C)cc(F)c2)no1 ZINC000904544946 1126857004 /nfs/dbraw/zinc/85/70/04/1126857004.db2.gz AQSROFPSSLMFFQ-CYBMUJFWSA-N 1 1 275.327 3.540 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC000904602867 1126861949 /nfs/dbraw/zinc/86/19/49/1126861949.db2.gz WJSUHNRKLZJLQE-AWEZNQCLSA-N 1 1 271.364 3.710 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)C(C)(C)C)no1 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C=CC[N@H+](Cc1ccccc1)Cc1cccc(OCC)n1 ZINC000351594220 1127195869 /nfs/dbraw/zinc/19/58/69/1127195869.db2.gz COCOPNUVJATIGF-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OCC)n1 ZINC000351594220 1127195874 /nfs/dbraw/zinc/19/58/74/1127195874.db2.gz COCOPNUVJATIGF-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000351586355 1127196051 /nfs/dbraw/zinc/19/60/51/1127196051.db2.gz WNHZQBBKENGHQP-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccccc1 ZINC000056312468 1127211521 /nfs/dbraw/zinc/21/15/21/1127211521.db2.gz HQTOPBSIRQBKIV-GOSISDBHSA-N 1 1 285.362 3.547 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccccc1 ZINC000056312467 1127211635 /nfs/dbraw/zinc/21/16/35/1127211635.db2.gz HQTOPBSIRQBKIV-SFHVURJKSA-N 1 1 285.362 3.547 20 30 CHEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000589252816 1127216261 /nfs/dbraw/zinc/21/62/61/1127216261.db2.gz SRNLXKPWJBWXMP-UHFFFAOYSA-N 1 1 283.375 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C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542278648 1128060493 /nfs/dbraw/zinc/06/04/93/1128060493.db2.gz DKVBRNFYTROENT-FHLIZLRMSA-N 1 1 268.404 3.906 20 30 CHEDMO C=CCCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470175568 1128064683 /nfs/dbraw/zinc/06/46/83/1128064683.db2.gz ZYCDAUJIBIUOHX-SDNWHVSQSA-N 1 1 274.364 3.896 20 30 CHEDMO C=C(C)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470204909 1128065752 /nfs/dbraw/zinc/06/57/52/1128065752.db2.gz BRLCPRURMGVLNV-JYRVWZFOSA-N 1 1 260.337 3.506 20 30 CHEDMO C=CC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000470309303 1128068128 /nfs/dbraw/zinc/06/81/28/1128068128.db2.gz QCFCVJALPAACMS-ZDUSSCGKSA-N 1 1 277.383 3.663 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1)CC1CCCCC1 ZINC000303488727 1128069800 /nfs/dbraw/zinc/06/98/00/1128069800.db2.gz VMGOFNSHVJEGTD-UHFFFAOYSA-N 1 1 286.419 3.693 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000470778209 1128077161 /nfs/dbraw/zinc/07/71/61/1128077161.db2.gz 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ZINC000470953422 1128084225 /nfs/dbraw/zinc/08/42/25/1128084225.db2.gz ONAFVAZLNLPIET-SUNKGSAMSA-N 1 1 282.309 3.892 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943775 1128084830 /nfs/dbraw/zinc/08/48/30/1128084830.db2.gz AHMRJACAQPNWRM-OLZOCXBDSA-N 1 1 273.342 3.843 20 30 CHEDMO N#CCSCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000173881029 1128094618 /nfs/dbraw/zinc/09/46/18/1128094618.db2.gz FQLQEJMOVUAIQK-UHFFFAOYSA-N 1 1 266.454 3.678 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000487664884 1128122624 /nfs/dbraw/zinc/12/26/24/1128122624.db2.gz HDCFSOOAWJDRBD-MRXNPFEDSA-N 1 1 294.398 3.939 20 30 CHEDMO COc1ccnc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000925602727 1128133698 /nfs/dbraw/zinc/13/36/98/1128133698.db2.gz XGHXYNWBLSFFBM-RHSMWYFYSA-N 1 1 295.386 3.786 20 30 CHEDMO C=CCC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152630336 1128142756 /nfs/dbraw/zinc/14/27/56/1128142756.db2.gz AVYQBUNHCYDAOW-UHFFFAOYSA-N 1 1 296.455 3.674 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cccc2[nH]ccc21 ZINC000493999950 1128153582 /nfs/dbraw/zinc/15/35/82/1128153582.db2.gz NKSHYNDKRQEGQC-UHFFFAOYSA-N 1 1 274.367 3.651 20 30 CHEDMO C=CCCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001307635433 1128160652 /nfs/dbraw/zinc/16/06/52/1128160652.db2.gz MJVNUMWCYHRTTO-CABCVRRESA-N 1 1 296.455 3.672 20 30 CHEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000926318072 1128166566 /nfs/dbraw/zinc/16/65/66/1128166566.db2.gz STZLZBXJGHGMLH-HZPDHXFCSA-N 1 1 293.370 3.509 20 30 CHEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000926320612 1128166738 /nfs/dbraw/zinc/16/67/38/1128166738.db2.gz IZTBFRFWIQDBBI-MRVPVSSYSA-N 1 1 288.288 3.661 20 30 CHEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926343273 1128168108 /nfs/dbraw/zinc/16/81/08/1128168108.db2.gz PLXBMOOOEXZRRP-FMKPAKJESA-N 1 1 295.373 3.738 20 30 CHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000609204233 1128173355 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CCC(CC)C[N@@H+](C/C=C\c1ccncc1)CCC#N ZINC000494926751 1128213471 /nfs/dbraw/zinc/21/34/71/1128213471.db2.gz ZEXBUDOEKXYQFU-ALCCZGGFSA-N 1 1 271.408 3.747 20 30 CHEDMO CCC(CC)C[N@H+](C/C=C\c1ccncc1)CCC#N ZINC000494926751 1128213476 /nfs/dbraw/zinc/21/34/76/1128213476.db2.gz ZEXBUDOEKXYQFU-ALCCZGGFSA-N 1 1 271.408 3.747 20 30 CHEDMO CCc1cc(C[N@@H+](C2CCC2)C2CCOCC2)ccc1C#N ZINC001238773366 1131242849 /nfs/dbraw/zinc/24/28/49/1131242849.db2.gz WQNKMMMTNCXWNJ-UHFFFAOYSA-N 1 1 298.430 3.654 20 30 CHEDMO CC[N@@H+](Cc1cc(C)nnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000929332806 1128269981 /nfs/dbraw/zinc/26/99/81/1128269981.db2.gz KWVJPIKULASRDP-OAHLLOKOSA-N 1 1 294.402 3.548 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)cc(C)n1 ZINC000929363907 1128271100 /nfs/dbraw/zinc/27/11/00/1128271100.db2.gz LTAGTYONXPIPHG-UHFFFAOYSA-N 1 1 291.398 3.758 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)cc(C)n1 ZINC000929363907 1128271102 /nfs/dbraw/zinc/27/11/02/1128271102.db2.gz LTAGTYONXPIPHG-UHFFFAOYSA-N 1 1 291.398 3.758 20 30 CHEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000929383281 1128271720 /nfs/dbraw/zinc/27/17/20/1128271720.db2.gz QQYRORBXEPUUPY-IBGZPJMESA-N 1 1 291.398 3.853 20 30 CHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000153448667 1128276198 /nfs/dbraw/zinc/27/61/98/1128276198.db2.gz DMAKFPFLHMWVPN-DOTOQJQBSA-N 1 1 286.419 3.988 20 30 CHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H]1CCc2ccccc2C1 ZINC000929646650 1128280720 /nfs/dbraw/zinc/28/07/20/1128280720.db2.gz OZYXXXWFPILRSJ-RJYAGPCLSA-N 1 1 282.431 3.806 20 30 CHEDMO CCc1cc(C[N@H+]2CCCC[C@H](C)C2)ccc1C#N ZINC001238766522 1131243052 /nfs/dbraw/zinc/24/30/52/1131243052.db2.gz OCZUTRXWZMOCQO-AWEZNQCLSA-N 1 1 256.393 3.743 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cncc(C#N)c2)C1 ZINC000929720452 1128283459 /nfs/dbraw/zinc/28/34/59/1128283459.db2.gz OHFACAAKFUAIKR-ACJLOTCBSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929720452 1128283462 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C=CCCCC[N@@H+]1CCC[C@@H](c2nc(CCC)no2)C1 ZINC001209207198 1118012257 /nfs/dbraw/zinc/01/22/57/1118012257.db2.gz NWIUMMKLWQGUKB-CQSZACIVSA-N 1 1 277.412 3.558 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)CCc1cccc(F)c1 ZINC000183128030 1118037902 /nfs/dbraw/zinc/03/79/02/1118037902.db2.gz ZYPLQVGQCMUFQH-KBPBESRZSA-N 1 1 262.372 3.628 20 30 CHEDMO C=CCN(Cc1ccccc1)c1[nH+]c(C)ccc1CC#N ZINC001167126718 1118042089 /nfs/dbraw/zinc/04/20/89/1118042089.db2.gz KMYDRZASMABWTQ-UHFFFAOYSA-N 1 1 277.371 3.649 20 30 CHEDMO C[C@H](CCc1cccc(F)c1)[N@H+](CC#N)C1CCCC1 ZINC000183344132 1118042709 /nfs/dbraw/zinc/04/27/09/1118042709.db2.gz CZXDJZZCWXMMGH-CQSZACIVSA-N 1 1 274.383 3.915 20 30 CHEDMO C[C@H](CCc1cccc(F)c1)[N@@H+](CC#N)C1CCCC1 ZINC000183344132 1118042715 /nfs/dbraw/zinc/04/27/15/1118042715.db2.gz CZXDJZZCWXMMGH-CQSZACIVSA-N 1 1 274.383 3.915 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001209431750 1118053917 /nfs/dbraw/zinc/05/39/17/1118053917.db2.gz SAMUABOEDIDOFS-CQSZACIVSA-N 1 1 293.373 3.902 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(C#N)cc1 ZINC000615504314 1128752854 /nfs/dbraw/zinc/75/28/54/1128752854.db2.gz ZTBKDIJIXJFMBE-UHFFFAOYSA-N 1 1 294.398 3.922 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@H](CO)CC[C@H]1C ZINC001209443635 1118060368 /nfs/dbraw/zinc/06/03/68/1118060368.db2.gz YCZQOWMAHKWQKU-IAGOWNOFSA-N 1 1 267.457 3.996 20 30 CHEDMO C=CCCCCCCCC[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001209445205 1118061900 /nfs/dbraw/zinc/06/19/00/1118061900.db2.gz HFMOJAWPQVYGED-SFHVURJKSA-N 1 1 294.483 3.846 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC001209442275 1118062223 /nfs/dbraw/zinc/06/22/23/1118062223.db2.gz DJYPVOYWNHVXJG-INIZCTEOSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCCCCCN1CC[C@H]([NH+](C)C)C1 ZINC001209442275 1118062228 /nfs/dbraw/zinc/06/22/28/1118062228.db2.gz DJYPVOYWNHVXJG-INIZCTEOSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001209442222 1118062268 /nfs/dbraw/zinc/06/22/68/1118062268.db2.gz 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C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCc2ccccc21 ZINC000671720862 1118307092 /nfs/dbraw/zinc/30/70/92/1118307092.db2.gz UNIAPSBSRUKPIJ-IBGZPJMESA-N 1 1 297.398 3.838 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cn(C)nc2CC)CCCC1(C)C ZINC000683724057 1118311460 /nfs/dbraw/zinc/31/14/60/1118311460.db2.gz TVFZONNNQQLEDQ-INIZCTEOSA-N 1 1 275.440 3.549 20 30 CHEDMO N#Cc1cc(Cl)cc(Nc2c[nH+]c3ccccn23)c1 ZINC001210535763 1118316768 /nfs/dbraw/zinc/31/67/68/1118316768.db2.gz CJGUUOYETXXHKY-UHFFFAOYSA-N 1 1 268.707 3.603 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000165472503 1118331001 /nfs/dbraw/zinc/33/10/01/1118331001.db2.gz UDVOWYMNNHQFIY-LJQANCHMSA-N 1 1 276.383 3.856 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1ccccc1Br ZINC000042223492 1118331821 /nfs/dbraw/zinc/33/18/21/1118331821.db2.gz KJEMIRADKNCDSG-UHFFFAOYSA-N 1 1 281.197 3.575 20 30 CHEDMO C[C@H]([NH2+]Cc1csc(C2CC2)n1)c1cccc(C#N)c1 ZINC000610344829 1118337116 /nfs/dbraw/zinc/33/71/16/1118337116.db2.gz IUVHMJPQEHPDOZ-NSHDSACASA-N 1 1 283.400 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IJQRYUKGMWXPSB-LSDHHAIUSA-N 1 1 257.377 3.593 20 30 CHEDMO C[C@H](CC[N@H+]1CCC[C@@](C)(C#N)C1)OCc1ccccc1 ZINC000616113716 1128775845 /nfs/dbraw/zinc/77/58/45/1128775845.db2.gz FWSCNZSVWBSMMM-AEFFLSMTSA-N 1 1 286.419 3.607 20 30 CHEDMO C=CC[N@H+](C[C@H]1CC(C)(C)CO1)CC1CCCCC1 ZINC001167392375 1118444708 /nfs/dbraw/zinc/44/47/08/1118444708.db2.gz SYLOCANYEBIXGG-MRXNPFEDSA-N 1 1 265.441 3.870 20 30 CHEDMO C=CC[N@H+](C[C@@H]1CC(C)(C)CO1)CC1CCCCC1 ZINC001167392373 1118444747 /nfs/dbraw/zinc/44/47/47/1118444747.db2.gz SYLOCANYEBIXGG-INIZCTEOSA-N 1 1 265.441 3.870 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OC)cs1 ZINC001657378113 1118454999 /nfs/dbraw/zinc/45/49/99/1118454999.db2.gz SGMGDIRDOZVYSA-UHFFFAOYSA-N 1 1 281.421 3.713 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC001167406686 1118462315 /nfs/dbraw/zinc/46/23/15/1118462315.db2.gz TVAXKDVOIKSRBK-HOTGVXAUSA-N 1 1 292.467 3.579 20 30 CHEDMO Cc1ncc(C[N@@H+](C)CCCCC(C)(C)C#N)s1 ZINC000277670457 1118464836 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C=CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000628405529 1128855764 /nfs/dbraw/zinc/85/57/64/1128855764.db2.gz NYVCSXONCWUOEH-ZDUSSCGKSA-N 1 1 285.416 3.603 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000628405505 1128855951 /nfs/dbraw/zinc/85/59/51/1128855951.db2.gz NRORJPDMBHNQME-LBPRGKRZSA-N 1 1 297.345 3.695 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000628405828 1128856029 /nfs/dbraw/zinc/85/60/29/1128856029.db2.gz VTBXOAIVVBOMJO-LBPRGKRZSA-N 1 1 295.810 3.755 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000628405256 1128856119 /nfs/dbraw/zinc/85/61/19/1128856119.db2.gz HQPGMOILCJJKQE-ZDUSSCGKSA-N 1 1 285.366 3.614 20 30 CHEDMO COc1cc(C[N@@H+](C)CCC(C)(C)C#N)ccc1SC ZINC000157844070 1119593005 /nfs/dbraw/zinc/59/30/05/1119593005.db2.gz KANSJBOHZWBSOZ-UHFFFAOYSA-N 1 1 292.448 3.789 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000628406423 1128856923 /nfs/dbraw/zinc/85/69/23/1128856923.db2.gz JLSQAHDIASCLLK-SFHVURJKSA-N 1 1 295.430 3.524 20 30 CHEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000657908925 1119627269 /nfs/dbraw/zinc/62/72/69/1119627269.db2.gz NBHWTYUOCDWFIT-RDJZCZTQSA-N 1 1 278.484 3.974 20 30 CHEDMO C=CC[N@H+](CCCCn1ccnc1C)Cc1cccs1 ZINC000163407493 1119631480 /nfs/dbraw/zinc/63/14/80/1119631480.db2.gz SUABCLVQAPPTLS-UHFFFAOYSA-N 1 1 289.448 3.721 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CCC2(C)C)ccc1OC ZINC000093460494 1119660579 /nfs/dbraw/zinc/66/05/79/1119660579.db2.gz ZDMGNTJQORNVNR-UHFFFAOYSA-N 1 1 275.392 3.634 20 30 CHEDMO Cc1cc(N2CCC[C@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000612107591 1119698681 /nfs/dbraw/zinc/69/86/81/1119698681.db2.gz HICNVJVFLWZVGY-QGZVFWFLSA-N 1 1 265.360 3.673 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](C)c2csc3ccccc23)nn1 ZINC000926615413 1119719616 /nfs/dbraw/zinc/71/96/16/1119719616.db2.gz PTJRXELOMYFUAC-GFCCVEGCSA-N 1 1 298.415 3.530 20 30 CHEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000658334731 1119725528 /nfs/dbraw/zinc/72/55/28/1119725528.db2.gz AOSVAMWUBKOPHX-JGVFFNPUSA-N 1 1 294.609 3.844 20 30 CHEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157779 1119737686 /nfs/dbraw/zinc/73/76/86/1119737686.db2.gz DAAGNENXHVRZST-LRDDRELGSA-N 1 1 294.345 3.975 20 30 CHEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157779 1119737689 /nfs/dbraw/zinc/73/76/89/1119737689.db2.gz DAAGNENXHVRZST-LRDDRELGSA-N 1 1 294.345 3.975 20 30 CHEDMO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164769 1119739345 /nfs/dbraw/zinc/73/93/45/1119739345.db2.gz IQISBZUUDYIARC-RDJZCZTQSA-N 1 1 256.393 3.633 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000612165577 1119739895 /nfs/dbraw/zinc/73/98/95/1119739895.db2.gz MPHQRANDZNNAGH-MRXNPFEDSA-N 1 1 292.810 3.735 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000612165577 1119739896 /nfs/dbraw/zinc/73/98/96/1119739896.db2.gz MPHQRANDZNNAGH-MRXNPFEDSA-N 1 1 292.810 3.735 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179804929 1119763468 /nfs/dbraw/zinc/76/34/68/1119763468.db2.gz ZSXHKKKXRLAXOF-UHFFFAOYSA-N 1 1 296.395 3.615 20 30 CHEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406528 1119782855 /nfs/dbraw/zinc/78/28/55/1119782855.db2.gz ORYQMIJHASHGSW-YOEHRIQHSA-N 1 1 274.383 3.772 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000612406079 1119783731 /nfs/dbraw/zinc/78/37/31/1119783731.db2.gz HZHQMUMYSLZJOI-IBGZPJMESA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000612406079 1119783735 /nfs/dbraw/zinc/78/37/35/1119783735.db2.gz HZHQMUMYSLZJOI-IBGZPJMESA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406830 1119784038 /nfs/dbraw/zinc/78/40/38/1119784038.db2.gz VCZHBYXAADOGSQ-FUHWJXTLSA-N 1 1 270.420 3.881 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000612405634 1119784658 /nfs/dbraw/zinc/78/46/58/1119784658.db2.gz BNWSJIPJSKMSIE-MRXNPFEDSA-N 1 1 254.333 3.558 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000612405634 1119784662 /nfs/dbraw/zinc/78/46/62/1119784662.db2.gz BNWSJIPJSKMSIE-MRXNPFEDSA-N 1 1 254.333 3.558 20 30 CHEDMO C=CC[N@@H+](CCOC(C)(C)C)Cc1ccccc1F ZINC000065951244 1119793431 /nfs/dbraw/zinc/79/34/31/1119793431.db2.gz YGEIVVUTAVTYBO-UHFFFAOYSA-N 1 1 265.372 3.629 20 30 CHEDMO C=CC[N@H+](CCOC(C)(C)C)Cc1ccccc1F ZINC000065951244 1119793433 /nfs/dbraw/zinc/79/34/33/1119793433.db2.gz YGEIVVUTAVTYBO-UHFFFAOYSA-N 1 1 265.372 3.629 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000066468996 1119894965 /nfs/dbraw/zinc/89/49/65/1119894965.db2.gz KQMJFVIVEKYJGS-MNOVXSKESA-N 1 1 286.297 3.738 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000066468996 1119894968 /nfs/dbraw/zinc/89/49/68/1119894968.db2.gz KQMJFVIVEKYJGS-MNOVXSKESA-N 1 1 286.297 3.738 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708837049 1119915716 /nfs/dbraw/zinc/91/57/16/1119915716.db2.gz MPLMLVNALGPKAU-GOSISDBHSA-N 1 1 268.404 3.960 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)ccc1OC ZINC000539825049 1119985415 /nfs/dbraw/zinc/98/54/15/1119985415.db2.gz KPMDJZIFLBLIDM-GASCZTMLSA-N 1 1 289.419 3.738 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1F ZINC000180454982 1119993699 /nfs/dbraw/zinc/99/36/99/1119993699.db2.gz BVIRPQRIMXDFSI-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO C[N@H+](Cc1ccc(Br)cc1)[C@H]1CCC[C@H]1C#N ZINC000250231311 1120018939 /nfs/dbraw/zinc/01/89/39/1120018939.db2.gz MISYQQSNSVRMSB-JSGCOSHPSA-N 1 1 293.208 3.573 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCC[C@H]1C#N ZINC000250231311 1120018944 /nfs/dbraw/zinc/01/89/44/1120018944.db2.gz MISYQQSNSVRMSB-JSGCOSHPSA-N 1 1 293.208 3.573 20 30 CHEDMO CCCNc1nc(N[C@@H](C)c2cccc(C#N)c2)[nH+]cc1C ZINC001167708942 1120052892 /nfs/dbraw/zinc/05/28/92/1120052892.db2.gz PXKUUKNNYVNLKL-ZDUSSCGKSA-N 1 1 295.390 3.652 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000042738060 1120060272 /nfs/dbraw/zinc/06/02/72/1120060272.db2.gz XCHBUUMPUQWDNO-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000042738060 1120060276 /nfs/dbraw/zinc/06/02/76/1120060276.db2.gz XCHBUUMPUQWDNO-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO CC(=[NH+]OCc1ccccc1)c1ccc(N)cc1Cl ZINC000782899626 1120061074 /nfs/dbraw/zinc/06/10/74/1120061074.db2.gz AUSZVMLPJDDMDL-UHFFFAOYSA-N 1 1 274.751 3.863 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000122231762 1120075288 /nfs/dbraw/zinc/07/52/88/1120075288.db2.gz MQBSMADHSYFURQ-JTQLQIEISA-N 1 1 286.297 3.786 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000472751115 1120160415 /nfs/dbraw/zinc/16/04/15/1120160415.db2.gz NSYZSBJIBBUWPS-MRXNPFEDSA-N 1 1 281.827 3.878 20 30 CHEDMO C#CC[N@H+](C)CCCN[C@H](C)c1cccc(Cl)c1Cl ZINC000328264877 1120169089 /nfs/dbraw/zinc/16/90/89/1120169089.db2.gz MEBGQVIOADMACY-GFCCVEGCSA-N 1 1 299.245 3.599 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000303207935 1120172972 /nfs/dbraw/zinc/17/29/72/1120172972.db2.gz QINDJMIFEVAINE-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000303618936 1120177698 /nfs/dbraw/zinc/17/76/98/1120177698.db2.gz WTFIGBQZZZUCOK-SFHVURJKSA-N 1 1 266.388 3.881 20 30 CHEDMO C[C@@H]1[C@@H](C)[N@H+](CCCCC#N)C[C@H](C)N1Cc1ccccc1 ZINC000404430220 1120178742 /nfs/dbraw/zinc/17/87/42/1120178742.db2.gz OGSPCNHZCGBZFU-RCCFBDPRSA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000404430220 1120178745 /nfs/dbraw/zinc/17/87/45/1120178745.db2.gz OGSPCNHZCGBZFU-RCCFBDPRSA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000404430220 1120178746 /nfs/dbraw/zinc/17/87/46/1120178746.db2.gz OGSPCNHZCGBZFU-RCCFBDPRSA-N 1 1 299.462 3.664 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000472795702 1120180758 /nfs/dbraw/zinc/18/07/58/1120180758.db2.gz RTPKNCGSPCNFCU-CVEARBPZSA-N 1 1 291.435 3.795 20 30 CHEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205036812 1120181363 /nfs/dbraw/zinc/18/13/63/1120181363.db2.gz DXDBEPUNWHNGBQ-GFCCVEGCSA-N 1 1 286.202 3.770 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205036812 1120181365 /nfs/dbraw/zinc/18/13/65/1120181365.db2.gz DXDBEPUNWHNGBQ-GFCCVEGCSA-N 1 1 286.202 3.770 20 30 CHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000020088339 1120195454 /nfs/dbraw/zinc/19/54/54/1120195454.db2.gz JNUMTDDNMFXQJJ-UHFFFAOYSA-N 1 1 285.774 3.642 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000061801565 1120230365 /nfs/dbraw/zinc/23/03/65/1120230365.db2.gz ZMDOPUBIBYFVMJ-AWEZNQCLSA-N 1 1 250.345 3.751 20 30 CHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCCC#N ZINC000338736556 1120231413 /nfs/dbraw/zinc/23/14/13/1120231413.db2.gz QXFFKCNAVSNSDK-KRWDZBQOSA-N 1 1 272.392 3.698 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc2C1 ZINC000542914876 1120250122 /nfs/dbraw/zinc/25/01/22/1120250122.db2.gz JSCVVEGBKSJNRP-GOSISDBHSA-N 1 1 290.410 3.795 20 30 CHEDMO C=CC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000111256962 1120258243 /nfs/dbraw/zinc/25/82/43/1120258243.db2.gz JFGBYAUWFAIJMT-UHFFFAOYSA-N 1 1 264.438 3.839 20 30 CHEDMO N#CCC[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1 ZINC000921922023 1120283659 /nfs/dbraw/zinc/28/36/59/1120283659.db2.gz DVYPKWBKIBVEFV-SFHVURJKSA-N 1 1 294.402 3.743 20 30 CHEDMO N#CCC[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1 ZINC000921926248 1120284316 /nfs/dbraw/zinc/28/43/16/1120284316.db2.gz UONAYGFDKFGGOZ-SFHVURJKSA-N 1 1 292.382 3.756 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@H]2CCCC[C@H]12 ZINC000542969165 1120303183 /nfs/dbraw/zinc/30/31/83/1120303183.db2.gz KQIGJSLRLJGMCP-XYPHTWIQSA-N 1 1 254.377 3.569 20 30 CHEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc(C#N)ccn1 ZINC001168699697 1120339824 /nfs/dbraw/zinc/33/98/24/1120339824.db2.gz KRUWKEKNXZFWFE-QGZVFWFLSA-N 1 1 295.386 3.593 20 30 CHEDMO CC(C)(C)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000499593632 1120347584 /nfs/dbraw/zinc/34/75/84/1120347584.db2.gz RRGLBQHKMSKYNQ-QGZVFWFLSA-N 1 1 286.419 3.758 20 30 CHEDMO CC(C)(C)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000499593632 1120347586 /nfs/dbraw/zinc/34/75/86/1120347586.db2.gz RRGLBQHKMSKYNQ-QGZVFWFLSA-N 1 1 286.419 3.758 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCCOc1cccc(C(C)(C)C)c1 ZINC000511590419 1120384979 /nfs/dbraw/zinc/38/49/79/1120384979.db2.gz GMVNPSRKNJPDRC-HNNXBMFYSA-N 1 1 288.435 3.844 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCCOc1cccc(C(C)(C)C)c1 ZINC000511590419 1120384983 /nfs/dbraw/zinc/38/49/83/1120384983.db2.gz GMVNPSRKNJPDRC-HNNXBMFYSA-N 1 1 288.435 3.844 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cnn(CC(C)C)c1 ZINC000543094762 1120413859 /nfs/dbraw/zinc/41/38/59/1120413859.db2.gz MARDJZMFGJMDMQ-UHFFFAOYSA-N 1 1 263.429 3.717 20 30 CHEDMO C=C(C)CC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000775607496 1120437559 /nfs/dbraw/zinc/43/75/59/1120437559.db2.gz 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CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153835 1129047567 /nfs/dbraw/zinc/04/75/67/1129047567.db2.gz VPNUVAIZFARBKV-DLBZAZTESA-N 1 1 254.377 3.724 20 30 CHEDMO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000711898595 1122364737 /nfs/dbraw/zinc/36/47/37/1122364737.db2.gz CUVPMVNVELZYHF-CYBMUJFWSA-N 1 1 282.412 3.933 20 30 CHEDMO CCCCCCCCC[C@@H](C)n1c(C)ncc(C[NH3+])c1=N ZINC001258231074 1129050992 /nfs/dbraw/zinc/05/09/92/1129050992.db2.gz HIIFQEPVQGFDIE-CQSZACIVSA-N 1 1 292.471 3.831 20 30 CHEDMO C=CC[N@@H+](CCCc1ccccc1OC)CCc1ccco1 ZINC000505472246 1122394964 /nfs/dbraw/zinc/39/49/64/1122394964.db2.gz RAUUFTVOYHNROC-UHFFFAOYSA-N 1 1 299.414 3.952 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC(C)(C)CC1 ZINC000434709687 1122395997 /nfs/dbraw/zinc/39/59/97/1122395997.db2.gz YACXEIBGBPNTLG-ZDUSSCGKSA-N 1 1 274.433 3.837 20 30 CHEDMO C=CC[N@@H+](CCC#N)C[C@@H](c1ccccc1)C(C)C ZINC000430098818 1122404253 /nfs/dbraw/zinc/40/42/53/1122404253.db2.gz WWXYYVRTYOSSFH-QGZVFWFLSA-N 1 1 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C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000437593055 1122644954 /nfs/dbraw/zinc/64/49/54/1122644954.db2.gz MXVSQBHZKZZMLH-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO C=CCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001192928549 1122665828 /nfs/dbraw/zinc/66/58/28/1122665828.db2.gz KVYNMDRHLQKUBR-UHFFFAOYSA-N 1 1 274.364 3.916 20 30 CHEDMO C[C@H]1SCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000438100689 1122677766 /nfs/dbraw/zinc/67/77/66/1122677766.db2.gz MSKACRAFBPIDPZ-QWHCGFSZSA-N 1 1 279.836 3.517 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000438102406 1122678522 /nfs/dbraw/zinc/67/85/22/1122678522.db2.gz DUYXGPJQGYXQJL-STQMWFEESA-N 1 1 260.356 3.553 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438175371 1122683518 /nfs/dbraw/zinc/68/35/18/1122683518.db2.gz INOUQMLGHCPSJA-QGPMSJSTSA-N 1 1 271.379 3.830 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC001193485896 1122692617 /nfs/dbraw/zinc/69/26/17/1122692617.db2.gz WGOROVCKMBYJPH-XHSDSOJGSA-N 1 1 255.446 3.828 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)s1 ZINC000438358623 1122693020 /nfs/dbraw/zinc/69/30/20/1122693020.db2.gz VTUNDKDEILIPJU-UHFFFAOYSA-N 1 1 260.406 3.776 20 30 CHEDMO C[C@@H]([N@@H+](C)CC#Cc1cccc(Cl)c1)C1(C)CC1 ZINC000438569441 1122712359 /nfs/dbraw/zinc/71/23/59/1122712359.db2.gz SGEVUUZGXVFBRF-CYBMUJFWSA-N 1 1 261.796 3.812 20 30 CHEDMO Cc1cccc(C)c1OCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506361172 1122724527 /nfs/dbraw/zinc/72/45/27/1122724527.db2.gz GZOZKDHSLYHPFH-UHFFFAOYSA-N 1 1 294.398 3.686 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2[nH]c(C)nc2C)CCCC1(C)C ZINC001193920999 1122729885 /nfs/dbraw/zinc/72/98/85/1122729885.db2.gz SMVNHXDCABFXHJ-OAHLLOKOSA-N 1 1 261.413 3.593 20 30 CHEDMO CCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506439567 1122740079 /nfs/dbraw/zinc/74/00/79/1122740079.db2.gz PSONESWLTBFQOF-UHFFFAOYSA-N 1 1 294.398 3.979 20 30 CHEDMO CCCC1CCC([N@@H+](C)Cc2cncc(C#N)c2)CC1 ZINC001194052308 1122744309 /nfs/dbraw/zinc/74/43/09/1122744309.db2.gz SQOHXPGQNRILBT-UHFFFAOYSA-N 1 1 271.408 3.744 20 30 CHEDMO CO[C@H]1C[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)C12CCC2 ZINC001194385809 1122770688 /nfs/dbraw/zinc/77/06/88/1122770688.db2.gz SXXZWSPODMHFBM-CVEARBPZSA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000439324298 1122772442 /nfs/dbraw/zinc/77/24/42/1122772442.db2.gz RWLWQDOVCGSBKU-GOEBONIOSA-N 1 1 254.377 3.558 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(Cl)c1 ZINC000439436924 1122779135 /nfs/dbraw/zinc/77/91/35/1122779135.db2.gz HGWHQLZVAOAMGK-MRXNPFEDSA-N 1 1 274.795 3.976 20 30 CHEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccs1 ZINC000426386010 1122781015 /nfs/dbraw/zinc/78/10/15/1122781015.db2.gz UFBLTFSNXQENDS-UHFFFAOYSA-N 1 1 275.804 3.885 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cccs1 ZINC000426386010 1122781020 /nfs/dbraw/zinc/78/10/20/1122781020.db2.gz UFBLTFSNXQENDS-UHFFFAOYSA-N 1 1 275.804 3.885 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000426457658 1122797679 /nfs/dbraw/zinc/79/76/79/1122797679.db2.gz YRDSCLKXDWBXSA-JSGCOSHPSA-N 1 1 292.329 3.534 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000426558980 1122822412 /nfs/dbraw/zinc/82/24/12/1122822412.db2.gz LCCJMAHOTJJSFZ-CYBMUJFWSA-N 1 1 264.438 3.882 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C=C)cc1OC ZINC000426580409 1122828095 /nfs/dbraw/zinc/82/80/95/1122828095.db2.gz QQDAAQPODIHUNX-INIZCTEOSA-N 1 1 287.403 3.801 20 30 CHEDMO COc1ccc([C@H](C)C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000775643969 1122854548 /nfs/dbraw/zinc/85/45/48/1122854548.db2.gz WRPBNTKGWZOKPY-OAHLLOKOSA-N 1 1 274.408 3.670 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000775651033 1122864334 /nfs/dbraw/zinc/86/43/34/1122864334.db2.gz TWNZPRDDNHEKSI-INIZCTEOSA-N 1 1 294.402 3.548 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000775651033 1122864341 /nfs/dbraw/zinc/86/43/41/1122864341.db2.gz TWNZPRDDNHEKSI-INIZCTEOSA-N 1 1 294.402 3.548 20 30 CHEDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC001195368539 1122865737 /nfs/dbraw/zinc/86/57/37/1122865737.db2.gz WSMXQUQNAHYMOE-LPHOPBHVSA-N 1 1 299.462 3.814 20 30 CHEDMO CC1(C)c2ccccc2CC[N@H+]1Cc1ccc(F)cc1C#N ZINC001195385769 1122866704 /nfs/dbraw/zinc/86/67/04/1122866704.db2.gz ZEOUZKLXCFZQRT-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195385769 1122866710 /nfs/dbraw/zinc/86/67/10/1122866710.db2.gz ZEOUZKLXCFZQRT-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)C(C)C ZINC000775656623 1122868388 /nfs/dbraw/zinc/86/83/88/1122868388.db2.gz LFTBRHQVZZDBAW-UHFFFAOYSA-N 1 1 275.421 3.545 20 30 CHEDMO C#CCCCCCC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC001195648078 1122880057 /nfs/dbraw/zinc/88/00/57/1122880057.db2.gz DWUMSWIDTCATQR-KRWDZBQOSA-N 1 1 277.452 3.994 20 30 CHEDMO CCCCCCCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC001195884623 1122896640 /nfs/dbraw/zinc/89/66/40/1122896640.db2.gz RTDPOUVXJKXGSK-HNNXBMFYSA-N 1 1 253.430 3.990 20 30 CHEDMO C#CCCCCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC001196142484 1122907418 /nfs/dbraw/zinc/90/74/18/1122907418.db2.gz MSUGSYDFPHXNQI-GOSISDBHSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC001196142484 1122907421 /nfs/dbraw/zinc/90/74/21/1122907421.db2.gz MSUGSYDFPHXNQI-GOSISDBHSA-N 1 1 289.394 3.783 20 30 CHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440479624 1122908351 /nfs/dbraw/zinc/90/83/51/1122908351.db2.gz RRGFLZFTPBLXCQ-AWEZNQCLSA-N 1 1 261.413 3.777 20 30 CHEDMO C[N@H+](Cc1cc(F)cc(C#N)c1)CC1CCCCC1 ZINC000163571368 1122909095 /nfs/dbraw/zinc/90/90/95/1122909095.db2.gz BBVOMYYBOURWBZ-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C#CCCCCCC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC001196238446 1122914136 /nfs/dbraw/zinc/91/41/36/1122914136.db2.gz SGMBYGPTYHLPEP-SFHVURJKSA-N 1 1 293.451 3.672 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCC1(F)F 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CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001197297067 1122950640 /nfs/dbraw/zinc/95/06/40/1122950640.db2.gz NKWRTYMNFKCZSL-HNNXBMFYSA-N 1 1 292.423 3.661 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)ccc1Br)C(C)C ZINC000729473874 1122955730 /nfs/dbraw/zinc/95/57/30/1122955730.db2.gz WXVQDVQCVXVJDD-UHFFFAOYSA-N 1 1 286.188 3.985 20 30 CHEDMO C=CC[N@@H+](Cc1cc(F)ccc1Br)C(C)C ZINC000729473874 1122955733 /nfs/dbraw/zinc/95/57/33/1122955733.db2.gz WXVQDVQCVXVJDD-UHFFFAOYSA-N 1 1 286.188 3.985 20 30 CHEDMO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001197495894 1122959063 /nfs/dbraw/zinc/95/90/63/1122959063.db2.gz IAPZSZWPRFKHKC-AWEZNQCLSA-N 1 1 297.348 3.936 20 30 CHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001197495894 1122959065 /nfs/dbraw/zinc/95/90/65/1122959065.db2.gz IAPZSZWPRFKHKC-AWEZNQCLSA-N 1 1 297.348 3.936 20 30 CHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001197701155 1122966335 /nfs/dbraw/zinc/96/63/35/1122966335.db2.gz DBWHVDBWXGDJOJ-STQMWFEESA-N 1 1 297.320 3.991 20 30 CHEDMO C#CC[N@@H+](Cc1cccc(F)c1OC(F)F)C(C)(C)C ZINC001197938178 1122974793 /nfs/dbraw/zinc/97/47/93/1122974793.db2.gz XPBBKDAIIQEGCU-UHFFFAOYSA-N 1 1 285.309 3.661 20 30 CHEDMO C#CC[N@H+](C[C@@H](OC)C1CCC1)[C@H]1CCCc2ccccc21 ZINC001198104508 1122981808 /nfs/dbraw/zinc/98/18/08/1122981808.db2.gz OLQWLRXIEMMYIS-VQTJNVASSA-N 1 1 297.442 3.814 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001198489879 1122994306 /nfs/dbraw/zinc/99/43/06/1122994306.db2.gz DYWVLOUWVZGBEC-MRXNPFEDSA-N 1 1 287.403 3.792 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC001198492174 1122994420 /nfs/dbraw/zinc/99/44/20/1122994420.db2.gz ZBKMRJKURWCSDI-AWEZNQCLSA-N 1 1 262.422 3.951 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC001198492174 1122994418 /nfs/dbraw/zinc/99/44/18/1122994418.db2.gz ZBKMRJKURWCSDI-AWEZNQCLSA-N 1 1 262.422 3.951 20 30 CHEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C)cc2c1 ZINC001198526374 1122995907 /nfs/dbraw/zinc/99/59/07/1122995907.db2.gz RQVPAOLTIMQQBR-QGZVFWFLSA-N 1 1 264.372 3.531 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001198811165 1123012489 /nfs/dbraw/zinc/01/24/89/1123012489.db2.gz QJERQMXDJSJZRL-QGZVFWFLSA-N 1 1 281.440 3.766 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000519800762 1123028315 /nfs/dbraw/zinc/02/83/15/1123028315.db2.gz NCTIFMPRIQMSPI-UHFFFAOYSA-N 1 1 290.455 3.859 20 30 CHEDMO N#CC1(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000775976671 1123031006 /nfs/dbraw/zinc/03/10/06/1123031006.db2.gz WALMLDDXLUWBLS-ZWKOTPCHSA-N 1 1 298.430 3.658 20 30 CHEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1cccs1 ZINC000441169859 1123064076 /nfs/dbraw/zinc/06/40/76/1123064076.db2.gz PMQNBLPNSJBNDX-UHFFFAOYSA-N 1 1 289.831 3.928 20 30 CHEDMO N#CCC[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000441175342 1123069182 /nfs/dbraw/zinc/06/91/82/1123069182.db2.gz XGEOZOHQCIQJHU-CPFIRTDXSA-N 1 1 254.377 3.858 20 30 CHEDMO N#CCC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000441175342 1123069187 /nfs/dbraw/zinc/06/91/87/1123069187.db2.gz XGEOZOHQCIQJHU-CPFIRTDXSA-N 1 1 254.377 3.858 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000895018720 1123101842 /nfs/dbraw/zinc/10/18/42/1123101842.db2.gz UNRUMEUHVVYSFE-CQSZACIVSA-N 1 1 294.402 3.673 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000895018720 1123101845 /nfs/dbraw/zinc/10/18/45/1123101845.db2.gz UNRUMEUHVVYSFE-CQSZACIVSA-N 1 1 294.402 3.673 20 30 CHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(CC)cccc1CC ZINC000048617478 1123105227 /nfs/dbraw/zinc/10/52/27/1123105227.db2.gz YNTFYJLYHGWMSK-UHFFFAOYSA-N 1 1 288.435 3.648 20 30 CHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(CC)cccc1CC ZINC000048617478 1123105230 /nfs/dbraw/zinc/10/52/30/1123105230.db2.gz YNTFYJLYHGWMSK-UHFFFAOYSA-N 1 1 288.435 3.648 20 30 CHEDMO C=CC[N@H+](CCCOCC(F)(F)F)Cc1cccs1 ZINC000053702084 1123127078 /nfs/dbraw/zinc/12/70/78/1123127078.db2.gz UKSVNXXNUGXEKA-UHFFFAOYSA-N 1 1 293.354 3.705 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001201630589 1123129338 /nfs/dbraw/zinc/12/93/38/1123129338.db2.gz CHNUPRAZHBBUTN-JKSUJKDBSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001201631746 1123130078 /nfs/dbraw/zinc/13/00/78/1123130078.db2.gz ZYCADRZJGWTHNW-GOSISDBHSA-N 1 1 294.483 3.729 20 30 CHEDMO N#CCC[N@@H+](CCCc1ccccc1)C1CCCC1 ZINC001201665071 1123136707 /nfs/dbraw/zinc/13/67/07/1123136707.db2.gz XJPNQMSKTQPUFI-UHFFFAOYSA-N 1 1 256.393 3.777 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCc2c1cccc2Cl ZINC000155311967 1129101540 /nfs/dbraw/zinc/10/15/40/1129101540.db2.gz RQJLSIDHTAYIQQ-XHDPSFHLSA-N 1 1 262.784 3.809 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCc2c1cccc2Cl ZINC000155311967 1129101541 /nfs/dbraw/zinc/10/15/41/1129101541.db2.gz RQJLSIDHTAYIQQ-XHDPSFHLSA-N 1 1 262.784 3.809 20 30 CHEDMO CCCCC[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201737628 1123143655 /nfs/dbraw/zinc/14/36/55/1123143655.db2.gz YSSNDGYJWNUZSC-MRXNPFEDSA-N 1 1 272.392 3.592 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001201762441 1123148742 /nfs/dbraw/zinc/14/87/42/1123148742.db2.gz LEUVMHCBSBNRAA-QZTJIDSGSA-N 1 1 297.483 3.864 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001201798049 1123150165 /nfs/dbraw/zinc/15/01/65/1123150165.db2.gz MSTSURUILBRLLG-OAHLLOKOSA-N 1 1 292.423 3.514 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001201797909 1123150235 /nfs/dbraw/zinc/15/02/35/1123150235.db2.gz GDIAFWOMEHHUHV-QGZVFWFLSA-N 1 1 276.424 3.895 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001201813182 1123151455 /nfs/dbraw/zinc/15/14/55/1123151455.db2.gz BVZYRLUQTQWSNF-HRCADAONSA-N 1 1 253.430 3.846 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001201777257 1123151503 /nfs/dbraw/zinc/15/15/03/1123151503.db2.gz UPGHITXPQLOHML-WMZOPIPTSA-N 1 1 294.483 3.822 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001201776838 1123151514 /nfs/dbraw/zinc/15/15/14/1123151514.db2.gz NHNNYABAJVYXRX-SFHVURJKSA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCCCC[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001201852946 1123152006 /nfs/dbraw/zinc/15/20/06/1123152006.db2.gz TWQBBBSECMPCOI-GJZGRUSLSA-N 1 1 259.409 3.532 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)CCc1noc(C)n1 ZINC001201852939 1123152441 /nfs/dbraw/zinc/15/24/41/1123152441.db2.gz SYHGCODQXPVQLH-UHFFFAOYSA-N 1 1 281.444 3.993 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001201825625 1123153071 /nfs/dbraw/zinc/15/30/71/1123153071.db2.gz BAMOMMBWPADILH-KRWDZBQOSA-N 1 1 294.483 3.681 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001201840132 1123155206 /nfs/dbraw/zinc/15/52/06/1123155206.db2.gz NBGLXAOWNLATMS-INIZCTEOSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCCN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001201840132 1123155209 /nfs/dbraw/zinc/15/52/09/1123155209.db2.gz NBGLXAOWNLATMS-INIZCTEOSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCCN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001201840132 1123155212 /nfs/dbraw/zinc/15/52/12/1123155212.db2.gz NBGLXAOWNLATMS-INIZCTEOSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2ncncc2C1 ZINC001201845963 1123155999 /nfs/dbraw/zinc/15/59/99/1123155999.db2.gz BGVVRSFVINOCDI-UHFFFAOYSA-N 1 1 261.413 3.585 20 30 CHEDMO CCCCCCCCC[N@@H+](CCOC)C1CCN(C)CC1 ZINC001201846310 1123156113 /nfs/dbraw/zinc/15/61/13/1123156113.db2.gz HOKPSEWQQHFCCS-UHFFFAOYSA-N 1 1 298.515 3.780 20 30 CHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000106245743 1123156847 /nfs/dbraw/zinc/15/68/47/1123156847.db2.gz QYWFYFALBQSUQX-YOEHRIQHSA-N 1 1 288.435 3.533 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCc2nn(C)cc2C1 ZINC001201874626 1123157050 /nfs/dbraw/zinc/15/70/50/1123157050.db2.gz AVHQSJGCGPLMGP-UHFFFAOYSA-N 1 1 277.456 3.919 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000093533674 1123175778 /nfs/dbraw/zinc/17/57/78/1123175778.db2.gz XMEUFAFAGOFZOS-UHFFFAOYSA-N 1 1 250.411 3.809 20 30 CHEDMO C=C(C)C[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC001202375230 1123203384 /nfs/dbraw/zinc/20/33/84/1123203384.db2.gz QVOTZJIEBBYNLW-UHFFFAOYSA-N 1 1 292.579 3.907 20 30 CHEDMO CC#CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000155826104 1129106777 /nfs/dbraw/zinc/10/67/77/1129106777.db2.gz ISISFJXECBMFRH-HNNXBMFYSA-N 1 1 259.418 3.514 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(C)=O ZINC001252129838 1123225235 /nfs/dbraw/zinc/22/52/35/1123225235.db2.gz FNHIHIMDSNQCFC-SJORKVTESA-N 1 1 283.456 3.541 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](OCC)C1 ZINC001252128703 1123225548 /nfs/dbraw/zinc/22/55/48/1123225548.db2.gz PXUHVZQTZNLYGT-SJORKVTESA-N 1 1 285.472 3.599 20 30 CHEDMO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000579617710 1123230463 /nfs/dbraw/zinc/23/04/63/1123230463.db2.gz FYUPAORKFOXDRW-BCDXTJNWSA-N 1 1 271.404 3.600 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)o1 ZINC000507872016 1123242627 /nfs/dbraw/zinc/24/26/27/1123242627.db2.gz BGERPAXNDVODSP-QWGSZXSUSA-N 1 1 278.355 3.829 20 30 CHEDMO CC(=NOC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779789232 1129110865 /nfs/dbraw/zinc/11/08/65/1129110865.db2.gz ZXRVBDWJZIQOMY-KRWDZBQOSA-N 1 1 286.419 3.844 20 30 CHEDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(C#N)cc1F ZINC000850529002 1123284007 /nfs/dbraw/zinc/28/40/07/1123284007.db2.gz OTWOTDIFARNDQU-UZCIPKQKSA-N 1 1 296.345 3.526 20 30 CHEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCc2ccccc2C1 ZINC000428240357 1123295018 /nfs/dbraw/zinc/29/50/18/1123295018.db2.gz BIUAWIQVTSVUQJ-QGZVFWFLSA-N 1 1 294.373 3.687 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1 ZINC000776485886 1123297552 /nfs/dbraw/zinc/29/75/52/1123297552.db2.gz BGRPXGKCMHTVRO-HNNXBMFYSA-N 1 1 296.439 3.876 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@@H]21 ZINC000543901862 1123316883 /nfs/dbraw/zinc/31/68/83/1123316883.db2.gz IKHCNGUECZHWTP-ZTFGCOKTSA-N 1 1 271.379 3.688 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442893248 1123348285 /nfs/dbraw/zinc/34/82/85/1123348285.db2.gz XFCXOADCOBKVDQ-CYBMUJFWSA-N 1 1 292.448 3.530 20 30 CHEDMO C=CC[N@H+](CCc1nsc2ccccc21)C(C)C ZINC000851731373 1123376366 /nfs/dbraw/zinc/37/63/66/1123376366.db2.gz OAXMXLXUGODJLX-UHFFFAOYSA-N 1 1 260.406 3.735 20 30 CHEDMO C#CC[N@H+](Cc1cc(C2CC2)no1)[C@H]1CCc2ccccc21 ZINC000851736732 1123377331 /nfs/dbraw/zinc/37/73/31/1123377331.db2.gz VREJLYBDMNWXCU-IBGZPJMESA-N 1 1 292.382 3.675 20 30 CHEDMO C#CC[N@@H+](Cc1cc(C2CC2)no1)[C@H]1CCc2ccccc21 ZINC000851736732 1123377335 /nfs/dbraw/zinc/37/73/35/1123377335.db2.gz VREJLYBDMNWXCU-IBGZPJMESA-N 1 1 292.382 3.675 20 30 CHEDMO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000851870509 1123386183 /nfs/dbraw/zinc/38/61/83/1123386183.db2.gz GOOKWEFJWVJYRA-ZDUSSCGKSA-N 1 1 299.805 3.632 20 30 CHEDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000851870509 1123386187 /nfs/dbraw/zinc/38/61/87/1123386187.db2.gz GOOKWEFJWVJYRA-ZDUSSCGKSA-N 1 1 299.805 3.632 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000852099144 1123396764 /nfs/dbraw/zinc/39/67/64/1123396764.db2.gz FQCAVZBALWMGQF-MRXNPFEDSA-N 1 1 288.778 3.887 20 30 CHEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000852101681 1123397176 /nfs/dbraw/zinc/39/71/76/1123397176.db2.gz GPMOYWYNSVDSDM-KBXCAEBGSA-N 1 1 297.402 3.806 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852297350 1123402311 /nfs/dbraw/zinc/40/23/11/1123402311.db2.gz JBLULRYBOLYIEZ-UHFFFAOYSA-N 1 1 278.440 3.607 20 30 CHEDMO C#CCC[NH+]1CCN([C@H](C)c2cccc3ccccc32)CC1 ZINC000776594522 1123405869 /nfs/dbraw/zinc/40/58/69/1123405869.db2.gz KUDAZRAOWHQVKU-QGZVFWFLSA-N 1 1 292.426 3.542 20 30 CHEDMO C=CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C(C)(C)C ZINC000852554799 1123409083 /nfs/dbraw/zinc/40/90/83/1123409083.db2.gz WPUBNTBNEHLNNE-CQSZACIVSA-N 1 1 273.376 3.753 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000852688431 1123412551 /nfs/dbraw/zinc/41/25/51/1123412551.db2.gz UAYNSELRVXYZNA-ZENOOKHLSA-N 1 1 295.785 3.696 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000121117991 1123435769 /nfs/dbraw/zinc/43/57/69/1123435769.db2.gz CXENHBLTQBQWBT-UHFFFAOYSA-N 1 1 254.377 3.941 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1cc(Cl)ccc1Cl ZINC000779810072 1129126748 /nfs/dbraw/zinc/12/67/48/1129126748.db2.gz ZOLCPJLKPPVGDA-UHFFFAOYSA-N 1 1 280.158 3.646 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895313709 1123453250 /nfs/dbraw/zinc/45/32/50/1123453250.db2.gz LVOHSEYFJYIFCZ-NSHDSACASA-N 1 1 282.309 3.889 20 30 CHEDMO CC(C)C[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000474161253 1123476071 /nfs/dbraw/zinc/47/60/71/1123476071.db2.gz YBMZKPGAYOEXFV-NVXWUHKLSA-N 1 1 258.409 3.908 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895562080 1123492095 /nfs/dbraw/zinc/49/20/95/1123492095.db2.gz ARTVDILCKMLNEM-LLVKDONJSA-N 1 1 267.294 3.609 20 30 CHEDMO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](C#N)C2)c1C ZINC000895651121 1123499684 /nfs/dbraw/zinc/49/96/84/1123499684.db2.gz UHSYERLICPSLHM-AWEZNQCLSA-N 1 1 265.360 3.592 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000025359712 1123503696 /nfs/dbraw/zinc/50/36/96/1123503696.db2.gz DTXDONQVOGZRMN-SFHVURJKSA-N 1 1 294.373 3.904 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000776794321 1123505919 /nfs/dbraw/zinc/50/59/19/1123505919.db2.gz AWCFHSBQPFMSNF-HXUWFJFHSA-N 1 1 290.410 3.856 20 30 CHEDMO CCCCCCCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855160193 1123508699 /nfs/dbraw/zinc/50/86/99/1123508699.db2.gz PUMHFHMHWOQEMD-MRXNPFEDSA-N 1 1 296.499 3.974 20 30 CHEDMO C#CCCCC[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168035328 1123533314 /nfs/dbraw/zinc/53/33/14/1123533314.db2.gz SFRHDJDMXMTQQW-QZTJIDSGSA-N 1 1 298.474 3.821 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346084588 1123608718 /nfs/dbraw/zinc/60/87/18/1123608718.db2.gz SSSJUENTLRRKEG-HNNXBMFYSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346084588 1123608721 /nfs/dbraw/zinc/60/87/21/1123608721.db2.gz SSSJUENTLRRKEG-HNNXBMFYSA-N 1 1 298.336 3.826 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857870147 1123623125 /nfs/dbraw/zinc/62/31/25/1123623125.db2.gz CTDJWEPTJKDPLK-YUELXQCFSA-N 1 1 259.397 3.512 20 30 CHEDMO N#CCCC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857866635 1123623176 /nfs/dbraw/zinc/62/31/76/1123623176.db2.gz CYYGQMCFGYECOQ-SJORKVTESA-N 1 1 294.402 3.812 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858039693 1123628925 /nfs/dbraw/zinc/62/89/25/1123628925.db2.gz HAZLRCCKVCVWRM-INIZCTEOSA-N 1 1 274.408 3.590 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000216461537 1123642040 /nfs/dbraw/zinc/64/20/40/1123642040.db2.gz MBODXZKHQIKHHX-UHFFFAOYSA-N 1 1 283.419 3.887 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(Cl)n1 ZINC000320362485 1123651749 /nfs/dbraw/zinc/65/17/49/1123651749.db2.gz BMZRSGIIQUXVBS-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(Cl)n1 ZINC000320362485 1123651750 /nfs/dbraw/zinc/65/17/50/1123651750.db2.gz BMZRSGIIQUXVBS-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000397675760 1123662180 /nfs/dbraw/zinc/66/21/80/1123662180.db2.gz GZZYRJQHEQTNLI-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000397675760 1123662182 /nfs/dbraw/zinc/66/21/82/1123662182.db2.gz GZZYRJQHEQTNLI-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(C#N)c(F)c1 ZINC000346149599 1123667276 /nfs/dbraw/zinc/66/72/76/1123667276.db2.gz DILVTMNRXLCHOB-JTQLQIEISA-N 1 1 289.741 3.597 20 30 CHEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCOCCC#N)o1 ZINC000339012649 1123669817 /nfs/dbraw/zinc/66/98/17/1123669817.db2.gz UIHRDFLFDHCIRD-GDBMZVCRSA-N 1 1 290.407 3.545 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1 ZINC000859235013 1123692099 /nfs/dbraw/zinc/69/20/99/1123692099.db2.gz HRGPRWUEOGAPHG-OAHLLOKOSA-N 1 1 289.810 3.871 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(OC)c(OC)cc1SC ZINC000158119886 1129139177 /nfs/dbraw/zinc/13/91/77/1129139177.db2.gz NDJUPOCHIYFXCS-UHFFFAOYSA-N 1 1 293.432 3.600 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000859446129 1123698549 /nfs/dbraw/zinc/69/85/49/1123698549.db2.gz VAKOMMICIMDMQM-LBPRGKRZSA-N 1 1 297.320 3.830 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccccc1OCc1cccnc1 ZINC000158137743 1129139834 /nfs/dbraw/zinc/13/98/34/1129139834.db2.gz TYTWOGZSBQFADS-UHFFFAOYSA-N 1 1 294.398 3.835 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000862444655 1123812019 /nfs/dbraw/zinc/81/20/19/1123812019.db2.gz FCKXPMYAPRBRTK-CQSZACIVSA-N 1 1 298.411 3.671 20 30 CHEDMO FC(F)(F)c1ccc(C#CCn2cc[nH+]c2C2CC2)cc1 ZINC000863387418 1123866177 /nfs/dbraw/zinc/86/61/77/1123866177.db2.gz XVUWJXVFZKUNMI-UHFFFAOYSA-N 1 1 290.288 3.831 20 30 CHEDMO CC(C)OCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000171500471 1123867592 /nfs/dbraw/zinc/86/75/92/1123867592.db2.gz GXFSSOXQDHYYFZ-UHFFFAOYSA-N 1 1 274.408 3.584 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(C#N)cs1 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ZINC000509644750 1124134366 /nfs/dbraw/zinc/13/43/66/1124134366.db2.gz VGFYNXVBPNKXTI-KRWDZBQOSA-N 1 1 261.409 3.532 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001237749236 1129175951 /nfs/dbraw/zinc/17/59/51/1129175951.db2.gz RCOCHQXANAKIQR-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO CC[N@H+](c1ccc(NC[C@@H](C#N)CCC#N)cc1)C(C)C ZINC000819398962 1131244078 /nfs/dbraw/zinc/24/40/78/1131244078.db2.gz WVVDJFRGRBCNKN-OAHLLOKOSA-N 1 1 284.407 3.777 20 30 CHEDMO CCc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1C#N ZINC001238774587 1131244101 /nfs/dbraw/zinc/24/41/01/1131244101.db2.gz JSPARIBZWLWQSY-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO COc1cc(F)c(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC001238790455 1131249410 /nfs/dbraw/zinc/24/94/10/1131249410.db2.gz NRQFODBUQCAKCR-UHFFFAOYSA-N 1 1 296.773 3.613 20 30 CHEDMO C[C@H](CC[N@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000447727911 1124512500 /nfs/dbraw/zinc/51/25/00/1124512500.db2.gz CRPZXMBPJVCUPO-HUUCEWRRSA-N 1 1 256.393 3.804 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC001120008103 1131270848 /nfs/dbraw/zinc/27/08/48/1131270848.db2.gz KCZPVDKCZKEEQQ-IBGZPJMESA-N 1 1 298.430 3.566 20 30 CHEDMO CC#CC[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001168105657 1124625786 /nfs/dbraw/zinc/62/57/86/1124625786.db2.gz MBGIDYUDZJDOLI-UHFFFAOYSA-N 1 1 285.387 3.573 20 30 CHEDMO C=CCCCC[C@@H](C)[NH2+]C1CC(N2CCCCC2)C1 ZINC000449297347 1124685528 /nfs/dbraw/zinc/68/55/28/1124685528.db2.gz FXQKEPBAFKBJGK-KLAILNCOSA-N 1 1 264.457 3.728 20 30 CHEDMO C[C@H](C[N@@H+](C)CC(C)(C)C#N)c1cc(F)cc(F)c1 ZINC000449339947 1124694912 /nfs/dbraw/zinc/69/49/12/1124694912.db2.gz LVYUABXEAYUFOG-LLVKDONJSA-N 1 1 266.335 3.550 20 30 CHEDMO C[C@]1(F)CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000449353131 1124708027 /nfs/dbraw/zinc/70/80/27/1124708027.db2.gz YJAFNWSDDBRYJM-KRWDZBQOSA-N 1 1 290.382 3.693 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1C(C)=CCC[C@@H]1C ZINC000872417848 1124713217 /nfs/dbraw/zinc/71/32/17/1124713217.db2.gz QXZHYDFOQZNASX-QWRGUYRKSA-N 1 1 296.465 3.548 20 30 CHEDMO CC[C@H]1CCC[C@H](C=[NH+]n2c(SC)nnc2SC)C1 ZINC000872417518 1124713420 /nfs/dbraw/zinc/71/34/20/1124713420.db2.gz DCFFPMPLNXOFMP-QWRGUYRKSA-N 1 1 298.481 3.772 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000805752571 1131297238 /nfs/dbraw/zinc/29/72/38/1131297238.db2.gz HFZFCEOBXCSLLR-KRWDZBQOSA-N 1 1 276.424 3.643 20 30 CHEDMO C=C(Br)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000125076853 1124842917 /nfs/dbraw/zinc/84/29/17/1124842917.db2.gz MGTDJWXUODJKFN-NSHDSACASA-N 1 1 284.197 3.563 20 30 CHEDMO C=C(CC)C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000449731874 1124850650 /nfs/dbraw/zinc/85/06/50/1124850650.db2.gz JXUJEVLGVXFOEP-UHFFFAOYSA-N 1 1 288.416 3.778 20 30 CHEDMO C=C(CC)C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449736819 1124855181 /nfs/dbraw/zinc/85/51/81/1124855181.db2.gz WMYHLDOPUNDLGC-KRWDZBQOSA-N 1 1 286.463 3.638 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Br)c(C)c2)C1 ZINC001137616667 1124879915 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CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)CC ZINC001137114448 1124990036 /nfs/dbraw/zinc/99/00/36/1124990036.db2.gz JOKUMCDJFZKCNL-CQSZACIVSA-N 1 1 260.381 3.599 20 30 CHEDMO C=C(Cl)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877149351 1125015106 /nfs/dbraw/zinc/01/51/06/1125015106.db2.gz MBHSSQMAZUDOKF-NVXWUHKLSA-N 1 1 290.838 3.697 20 30 CHEDMO C[C@@H]1SCC[N@H+](CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000450415046 1125019145 /nfs/dbraw/zinc/01/91/45/1125019145.db2.gz AIPODOSCHPZABQ-HOCLYGCPSA-N 1 1 286.444 3.859 20 30 CHEDMO C[C@@H]1SCC[N@@H+](CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000450415046 1125019152 /nfs/dbraw/zinc/01/91/52/1125019152.db2.gz AIPODOSCHPZABQ-HOCLYGCPSA-N 1 1 286.444 3.859 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)C1 ZINC000877192925 1125019505 /nfs/dbraw/zinc/01/95/05/1125019505.db2.gz ULZRERIYRJPLHD-WBMJQRKESA-N 1 1 289.810 3.619 20 30 CHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450441691 1125025494 /nfs/dbraw/zinc/02/54/94/1125025494.db2.gz 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ZINC000743263199 1129518612 /nfs/dbraw/zinc/51/86/12/1129518612.db2.gz HYZVSEDSLYCCEV-LJQANCHMSA-N 1 1 299.389 3.856 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000743860144 1129541324 /nfs/dbraw/zinc/54/13/24/1129541324.db2.gz RXFGNLSMHKWXHF-CYBMUJFWSA-N 1 1 267.825 3.853 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1cccc(F)c1 ZINC000744211425 1129559892 /nfs/dbraw/zinc/55/98/92/1129559892.db2.gz NINXKKOAAVHPKY-IBGZPJMESA-N 1 1 299.389 3.590 20 30 CHEDMO C#CC[N@H+](CCCCCCCO)[C@H]1CCc2ccccc21 ZINC000744388664 1129575620 /nfs/dbraw/zinc/57/56/20/1129575620.db2.gz SQQFUNDLHXJMBG-IBGZPJMESA-N 1 1 285.431 3.552 20 30 CHEDMO C=CCC[C@H](C)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258728787 1129587875 /nfs/dbraw/zinc/58/78/75/1129587875.db2.gz QEXCLROLAHEYHS-INIZCTEOSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCC[C@H](C)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258728787 1129587877 /nfs/dbraw/zinc/58/78/77/1129587877.db2.gz QEXCLROLAHEYHS-INIZCTEOSA-N 1 1 276.468 3.682 20 30 CHEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745345909 1129603240 /nfs/dbraw/zinc/60/32/40/1129603240.db2.gz NGPLOKCQTPJUSU-HZPDHXFCSA-N 1 1 297.487 3.519 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000746119524 1129626360 /nfs/dbraw/zinc/62/63/60/1129626360.db2.gz YHURKXSNAYMTTL-UHFFFAOYSA-N 1 1 294.373 3.904 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000746309361 1129630293 /nfs/dbraw/zinc/63/02/93/1129630293.db2.gz ANRWOKKLGCWHPC-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ncccc12 ZINC001137629364 1131387882 /nfs/dbraw/zinc/38/78/82/1131387882.db2.gz KEONJKCENXWCAT-MKZZRHPPSA-N 1 1 277.371 3.501 20 30 CHEDMO C=CCC[C@@H](C)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001258734057 1129651701 /nfs/dbraw/zinc/65/17/01/1129651701.db2.gz QPEMSAUWPDOZLM-CQSZACIVSA-N 1 1 284.444 3.578 20 30 CHEDMO C#CC[N@H+](Cc1cnccc1C)[C@H]1CCc2ccccc21 ZINC000746451005 1129664311 /nfs/dbraw/zinc/66/43/11/1129664311.db2.gz QITUXARTWDXDJZ-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO CCCCCCCC[N@H+](C)Cc1nnc2ccccn21 ZINC000746458012 1129665978 /nfs/dbraw/zinc/66/59/78/1129665978.db2.gz BFYHJTMWPUHIOH-UHFFFAOYSA-N 1 1 274.412 3.522 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000746458012 1129665982 /nfs/dbraw/zinc/66/59/82/1129665982.db2.gz BFYHJTMWPUHIOH-UHFFFAOYSA-N 1 1 274.412 3.522 20 30 CHEDMO C=CCc1cc(C)c[nH+]c1NCCCCc1ccccn1 ZINC001168793531 1129666414 /nfs/dbraw/zinc/66/64/14/1129666414.db2.gz URNRSINQSCYWNS-UHFFFAOYSA-N 1 1 281.403 3.948 20 30 CHEDMO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000103028042 1129684277 /nfs/dbraw/zinc/68/42/77/1129684277.db2.gz NQTULGVNJSFIGW-HZPDHXFCSA-N 1 1 266.473 3.809 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030258 1129690859 /nfs/dbraw/zinc/69/08/59/1129690859.db2.gz XLAFYDAZVMZJHN-LSDHHAIUSA-N 1 1 270.417 3.724 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@H]1CCCC[C@H]1CC ZINC001169331192 1129718301 /nfs/dbraw/zinc/71/83/01/1129718301.db2.gz HMXIMEPEOFUXIA-NEPJUHHUSA-N 1 1 260.219 3.796 20 30 CHEDMO Cc1cc(C)c2c(c1)C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC001169420610 1129725861 /nfs/dbraw/zinc/72/58/61/1129725861.db2.gz RCORRKRWZHGKDA-UHFFFAOYSA-N 1 1 293.385 3.852 20 30 CHEDMO CC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC001169496582 1129730422 /nfs/dbraw/zinc/73/04/22/1129730422.db2.gz UENIMKVXVUJRMW-ZFWWWQNUSA-N 1 1 261.796 3.812 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(-c2ccccc2)nc2sccn12 ZINC000766857188 1129760370 /nfs/dbraw/zinc/76/03/70/1129760370.db2.gz ZFWGFVLKIQJVOY-ZDUSSCGKSA-N 1 1 295.411 3.516 20 30 CHEDMO C#CCCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000766896389 1129768626 /nfs/dbraw/zinc/76/86/26/1129768626.db2.gz NKRIJKCDQRVDFW-CJNGLKHVSA-N 1 1 257.377 3.781 20 30 CHEDMO C#CCCC[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000766894927 1129768697 /nfs/dbraw/zinc/76/86/97/1129768697.db2.gz HHSXFGXOKJWPEW-PKOBYXMFSA-N 1 1 284.447 3.557 20 30 CHEDMO C#CCCC[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000766894917 1129768706 /nfs/dbraw/zinc/76/87/06/1129768706.db2.gz HHSXFGXOKJWPEW-HKUYNNGSSA-N 1 1 284.447 3.557 20 30 CHEDMO C#CCCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000766896285 1129769046 /nfs/dbraw/zinc/76/90/46/1129769046.db2.gz YSAGGSNEVIDSKW-AWEZNQCLSA-N 1 1 270.401 3.847 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000766933869 1129769526 /nfs/dbraw/zinc/76/95/26/1129769526.db2.gz CFTGMOIDBQMUDP-HNNXBMFYSA-N 1 1 291.822 3.844 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000766987927 1129771124 /nfs/dbraw/zinc/77/11/24/1129771124.db2.gz IEFSTDPMQFBMAH-QWHCGFSZSA-N 1 1 292.810 3.720 20 30 CHEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877778 1129818232 /nfs/dbraw/zinc/81/82/32/1129818232.db2.gz WRJNDMLUZGLASS-GFCCVEGCSA-N 1 1 255.283 3.681 20 30 CHEDMO CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000767906347 1129821204 /nfs/dbraw/zinc/82/12/04/1129821204.db2.gz MSXOIKXICARRNC-ZWKOTPCHSA-N 1 1 286.419 3.636 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000112984897 1129835352 /nfs/dbraw/zinc/83/53/52/1129835352.db2.gz VXINJRHNEXAPKV-SFHVURJKSA-N 1 1 292.382 3.602 20 30 CHEDMO COc1cccc2cc(C[N@H+](CCC#N)CC(C)C)oc21 ZINC000768153929 1129836058 /nfs/dbraw/zinc/83/60/58/1129836058.db2.gz QJLRBXZJAHUAMG-UHFFFAOYSA-N 1 1 286.375 3.813 20 30 CHEDMO COc1cccc2cc(C[N@@H+](CCC#N)CC(C)C)oc21 ZINC000768153929 1129836061 /nfs/dbraw/zinc/83/60/61/1129836061.db2.gz QJLRBXZJAHUAMG-UHFFFAOYSA-N 1 1 286.375 3.813 20 30 CHEDMO COc1ccccc1/C=C/C[N@H+](CCC#N)CC(C)C ZINC000768153760 1129836672 /nfs/dbraw/zinc/83/66/72/1129836672.db2.gz JEMIZWWAASJXCP-RMKNXTFCSA-N 1 1 272.392 3.580 20 30 CHEDMO COc1ccccc1/C=C/C[N@@H+](CCC#N)CC(C)C ZINC000768153760 1129836679 /nfs/dbraw/zinc/83/66/79/1129836679.db2.gz JEMIZWWAASJXCP-RMKNXTFCSA-N 1 1 272.392 3.580 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001137685458 1131401203 /nfs/dbraw/zinc/40/12/03/1131401203.db2.gz MQFCBZYIEYIZKV-ZDUSSCGKSA-N 1 1 255.386 3.747 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768316263 1129852018 /nfs/dbraw/zinc/85/20/18/1129852018.db2.gz BNNJCZGJBMDQAO-WMLDXEAASA-N 1 1 272.392 3.598 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C(C)C ZINC000768546339 1129863165 /nfs/dbraw/zinc/86/31/65/1129863165.db2.gz AIAPWXPRNMHJBK-UHFFFAOYSA-N 1 1 273.405 3.602 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C(C)C ZINC000768547819 1129863441 /nfs/dbraw/zinc/86/34/41/1129863441.db2.gz QOIUXNZDMOJYIN-UHFFFAOYSA-N 1 1 273.298 3.824 20 30 CHEDMO COc1ccc(C[N@@H+](Cc2ccccc2)C(C)C)c(C#N)c1 ZINC001137698074 1131402970 /nfs/dbraw/zinc/40/29/70/1131402970.db2.gz IUAYXTFBIXCDPS-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO C=C(Cl)C[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000743855699 1129877812 /nfs/dbraw/zinc/87/78/12/1129877812.db2.gz XEBHDCBOOOQSCC-UHFFFAOYSA-N 1 1 251.801 3.957 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1 ZINC001137704477 1131404220 /nfs/dbraw/zinc/40/42/20/1131404220.db2.gz HOJVVZOZTPQWGQ-KDOFPFPSSA-N 1 1 284.403 3.721 20 30 CHEDMO C#CC[N@@H+](Cc1cscc1Cl)C1CCCC1 ZINC000769529839 1129915737 /nfs/dbraw/zinc/91/57/37/1129915737.db2.gz GAXSIWGOERPPAS-UHFFFAOYSA-N 1 1 253.798 3.779 20 30 CHEDMO C#CC[N@H+](Cc1cscc1Cl)C1CCCC1 ZINC000769529839 1129915740 /nfs/dbraw/zinc/91/57/40/1129915740.db2.gz GAXSIWGOERPPAS-UHFFFAOYSA-N 1 1 253.798 3.779 20 30 CHEDMO C#CC[N@H+](Cc1cn(-c2ccccc2)nc1C)C1CCCC1 ZINC000769531093 1129915784 /nfs/dbraw/zinc/91/57/84/1129915784.db2.gz RYJFEURJVMWKBJ-UHFFFAOYSA-N 1 1 293.414 3.559 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000769911868 1129929723 /nfs/dbraw/zinc/92/97/23/1129929723.db2.gz CLTXYMCCJBBZCC-UHFFFAOYSA-N 1 1 298.789 3.730 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000769911868 1129929725 /nfs/dbraw/zinc/92/97/25/1129929725.db2.gz CLTXYMCCJBBZCC-UHFFFAOYSA-N 1 1 298.789 3.730 20 30 CHEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000801915694 1129958192 /nfs/dbraw/zinc/95/81/92/1129958192.db2.gz MDRHXUNHIUZNKL-UONOGXRCSA-N 1 1 286.375 3.744 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000801915719 1129958667 /nfs/dbraw/zinc/95/86/67/1129958667.db2.gz MRESVJJNTQUZRY-OAHLLOKOSA-N 1 1 294.398 3.733 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000801916218 1129958796 /nfs/dbraw/zinc/95/87/96/1129958796.db2.gz ROKNNIICKWJOTC-BEFAXECRSA-N 1 1 294.398 3.905 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000801943776 1129961889 /nfs/dbraw/zinc/96/18/89/1129961889.db2.gz HVUFLXULMIRHGN-LULLPPNCSA-N 1 1 298.430 3.573 20 30 CHEDMO CCc1cc(NCc2ccc(C3(C#N)CC3)cc2)nc(C)[nH+]1 ZINC000902228549 1129992110 /nfs/dbraw/zinc/99/21/10/1129992110.db2.gz INFSYNSKYMQKOO-UHFFFAOYSA-N 1 1 292.386 3.515 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000771939280 1129996959 /nfs/dbraw/zinc/99/69/59/1129996959.db2.gz PJMDMSKNFZKGSF-HNAYVOBHSA-N 1 1 292.382 3.924 20 30 CHEDMO CCC(CC)[C@H](CC/[NH+]=C/c1ccccc1O)OC ZINC000746522681 1130002304 /nfs/dbraw/zinc/00/23/04/1130002304.db2.gz PKNZJTVFDBKJHI-WLSWZUKCSA-N 1 1 263.381 3.652 20 30 CHEDMO Cc1[nH+]ccn1CCCSCC1CCC(C#N)CC1 ZINC000902410853 1130007619 /nfs/dbraw/zinc/00/76/19/1130007619.db2.gz ROUOVNXWHLPBHY-UHFFFAOYSA-N 1 1 277.437 3.645 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1OC ZINC000902741399 1130049806 /nfs/dbraw/zinc/04/98/06/1130049806.db2.gz QHWZPTPCSOLEHH-BBRMVZONSA-N 1 1 295.386 3.764 20 30 CHEDMO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1cc(C#N)ccn1 ZINC000902776045 1130056106 /nfs/dbraw/zinc/05/61/06/1130056106.db2.gz DANFJKFUEZZOAW-SJCJKPOMSA-N 1 1 295.411 3.592 20 30 CHEDMO CCC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902789338 1130057523 /nfs/dbraw/zinc/05/75/23/1130057523.db2.gz FHHFFLVWLVCZKN-CZUORRHYSA-N 1 1 280.375 3.540 20 30 CHEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000902884879 1130078605 /nfs/dbraw/zinc/07/86/05/1130078605.db2.gz OSSQPAODESNNGN-PBHICJAKSA-N 1 1 290.370 3.649 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1cccc(C#N)c1 ZINC000903010954 1130100069 /nfs/dbraw/zinc/10/00/69/1130100069.db2.gz UMBBGXLDFFGNJK-CJNGLKHVSA-N 1 1 282.391 3.577 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000903035746 1130102779 /nfs/dbraw/zinc/10/27/79/1130102779.db2.gz UQRJFTDFMNNDJS-INIZCTEOSA-N 1 1 299.374 3.646 20 30 CHEDMO C=CCC[N@@H+](C)Cc1c(C)nn(CCCC)c1Cl ZINC000786579300 1130106790 /nfs/dbraw/zinc/10/67/90/1130106790.db2.gz RJQBPCXZGJHXRX-UHFFFAOYSA-N 1 1 269.820 3.653 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(C)nn(CCCC)c1Cl ZINC000786579300 1130106794 /nfs/dbraw/zinc/10/67/94/1130106794.db2.gz RJQBPCXZGJHXRX-UHFFFAOYSA-N 1 1 269.820 3.653 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106810 1130111371 /nfs/dbraw/zinc/11/13/71/1130111371.db2.gz VZBSYGHKWMNLHV-JTQLQIEISA-N 1 1 263.410 3.529 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000903100786 1130112006 /nfs/dbraw/zinc/11/20/06/1130112006.db2.gz XRZJXOZLPDSARK-INIZCTEOSA-N 1 1 284.403 3.528 20 30 CHEDMO Cc1ccc([C@H]([NH2+]CC(C)(C)C#N)C2CCCC2)o1 ZINC000903100216 1130112136 /nfs/dbraw/zinc/11/21/36/1130112136.db2.gz KJUFXIWBTGJSSM-OAHLLOKOSA-N 1 1 260.381 3.959 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000903101791 1130112483 /nfs/dbraw/zinc/11/24/83/1130112483.db2.gz MJDPIHZRGHQJDQ-GFCCVEGCSA-N 1 1 278.808 3.770 20 30 CHEDMO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903102108 1130112644 /nfs/dbraw/zinc/11/26/44/1130112644.db2.gz SIVXZISOSPCUBO-LLVKDONJSA-N 1 1 280.318 3.551 20 30 CHEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cn1 ZINC000903109302 1130114408 /nfs/dbraw/zinc/11/44/08/1130114408.db2.gz MYWMHMMHCZUPLC-HNNXBMFYSA-N 1 1 275.371 3.591 20 30 CHEDMO COc1cc(C)ccc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107892 1130114809 /nfs/dbraw/zinc/11/48/09/1130114809.db2.gz HNSIFZLJDSXOBJ-AWEZNQCLSA-N 1 1 272.392 3.738 20 30 CHEDMO CCOc1ccccc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107845 1130115061 /nfs/dbraw/zinc/11/50/61/1130115061.db2.gz GJVVXXFEGKYIOC-AWEZNQCLSA-N 1 1 272.392 3.820 20 30 CHEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCCC2)cnn1C(C)(C)C ZINC000903110046 1130115365 /nfs/dbraw/zinc/11/53/65/1130115365.db2.gz ZHJMOGCZNMVLBO-ZDUSSCGKSA-N 1 1 288.439 3.681 20 30 CHEDMO CC1(C)C[C@H]([NH2+]CC2(C#N)CC2)c2ccccc2S1 ZINC000903109895 1130115568 /nfs/dbraw/zinc/11/55/68/1130115568.db2.gz WVUZFPULIFZJFT-ZDUSSCGKSA-N 1 1 272.417 3.895 20 30 CHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001461929459 1130115862 /nfs/dbraw/zinc/11/58/62/1130115862.db2.gz WMDVXOYXVVVOBZ-SJLPKXTDSA-N 1 1 255.405 3.939 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)nc1C)[C@H]1CCc2ccccc21 ZINC000787044186 1130127565 /nfs/dbraw/zinc/12/75/65/1130127565.db2.gz YVVJOYAEEOHDED-SFHVURJKSA-N 1 1 294.373 3.652 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)nc1C)[C@H]1CCc2ccccc21 ZINC000787044186 1130127566 /nfs/dbraw/zinc/12/75/66/1130127566.db2.gz YVVJOYAEEOHDED-SFHVURJKSA-N 1 1 294.373 3.652 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(N)nc2F)cc1 ZINC001239837715 1130130482 /nfs/dbraw/zinc/13/04/82/1130130482.db2.gz LHZQEDZFYXYSRJ-INIZCTEOSA-N 1 1 297.377 3.793 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC(F)(F)C1 ZINC000787707373 1130159395 /nfs/dbraw/zinc/15/93/95/1130159395.db2.gz DQGKMHINDPMBTC-CQSZACIVSA-N 1 1 281.321 3.696 20 30 CHEDMO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F ZINC000903335334 1130160858 /nfs/dbraw/zinc/16/08/58/1130160858.db2.gz NZKUYMTXDDXWFM-KPZWWZAWSA-N 1 1 295.361 3.894 20 30 CHEDMO CCCCc1nc(NCc2ccc(C#N)c(F)c2)cc(C)[nH+]1 ZINC001170090408 1130213718 /nfs/dbraw/zinc/21/37/18/1130213718.db2.gz BVDDLIXAIXTCBC-UHFFFAOYSA-N 1 1 298.365 3.751 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1 ZINC000789586373 1130261112 /nfs/dbraw/zinc/26/11/12/1130261112.db2.gz NEBTUXGSFWVJIY-QXSJWSMHSA-N 1 1 286.419 3.844 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@H](C)c2ccccc2)n1 ZINC000789762247 1130275102 /nfs/dbraw/zinc/27/51/02/1130275102.db2.gz UKHPTLIBSVKYBV-KRWDZBQOSA-N 1 1 295.430 3.532 20 30 CHEDMO Cc1cnc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001240386204 1130285393 /nfs/dbraw/zinc/28/53/93/1130285393.db2.gz FJOJCRXOBKIUNI-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)n1 ZINC001240388127 1130286307 /nfs/dbraw/zinc/28/63/07/1130286307.db2.gz BYCUEYXPDNQLNG-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672226 1130291096 /nfs/dbraw/zinc/29/10/96/1130291096.db2.gz ZHEZVONZJAFSBA-WCXIOVBPSA-N 1 1 278.440 3.942 20 30 CHEDMO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672226 1130291101 /nfs/dbraw/zinc/29/11/01/1130291101.db2.gz ZHEZVONZJAFSBA-WCXIOVBPSA-N 1 1 278.440 3.942 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](CCCc2cnccc2C)C1 ZINC000826947458 1130316933 /nfs/dbraw/zinc/31/69/33/1130316933.db2.gz QNKCEGZVKDFSKI-INIZCTEOSA-N 1 1 258.409 3.611 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000826947671 1130316968 /nfs/dbraw/zinc/31/69/68/1130316968.db2.gz ROMNOEOYDYIHOH-CQSZACIVSA-N 1 1 275.392 3.579 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000826946115 1130317191 /nfs/dbraw/zinc/31/71/91/1130317191.db2.gz DVGLLVXCDSJITJ-SNVBAGLBSA-N 1 1 288.222 3.515 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000826946115 1130317195 /nfs/dbraw/zinc/31/71/95/1130317195.db2.gz DVGLLVXCDSJITJ-SNVBAGLBSA-N 1 1 288.222 3.515 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001137313790 1130334054 /nfs/dbraw/zinc/33/40/54/1130334054.db2.gz SNJMXDGBZVILMS-UHFFFAOYSA-N 1 1 287.366 3.598 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001137313790 1130334058 /nfs/dbraw/zinc/33/40/58/1130334058.db2.gz SNJMXDGBZVILMS-UHFFFAOYSA-N 1 1 287.366 3.598 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001170149052 1130354980 /nfs/dbraw/zinc/35/49/80/1130354980.db2.gz JYXGUSMUKXJYTP-HFTRVMKXSA-N 1 1 284.403 3.590 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001170151818 1130360020 /nfs/dbraw/zinc/36/00/20/1130360020.db2.gz SHBJONJAKMIUPB-PVAVHDDUSA-N 1 1 284.403 3.590 20 30 CHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2C2CC2)cc(OC)c1O ZINC000678240371 1130379109 /nfs/dbraw/zinc/37/91/09/1130379109.db2.gz XOOOOYZAWZQNAX-INIZCTEOSA-N 1 1 287.403 3.504 20 30 CHEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(NCCCCC#N)nc1 ZINC001157643175 1130423869 /nfs/dbraw/zinc/42/38/69/1130423869.db2.gz NXSSFPXKYRMQMU-MRXNPFEDSA-N 1 1 286.423 3.734 20 30 CHEDMO CCCCCCCCC[N@H+](C)Cc1nnc2ccccn21 ZINC000792235703 1130438974 /nfs/dbraw/zinc/43/89/74/1130438974.db2.gz PKWFOPPIFCJRHF-UHFFFAOYSA-N 1 1 288.439 3.912 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000792235703 1130438983 /nfs/dbraw/zinc/43/89/83/1130438983.db2.gz PKWFOPPIFCJRHF-UHFFFAOYSA-N 1 1 288.439 3.912 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000792269649 1130442586 /nfs/dbraw/zinc/44/25/86/1130442586.db2.gz SJHFNVBGKIHRII-DLBZAZTESA-N 1 1 294.483 3.728 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678723057 1130447354 /nfs/dbraw/zinc/44/73/54/1130447354.db2.gz BIZLAYWJFFEROH-BBWFWOEESA-N 1 1 265.441 3.870 20 30 CHEDMO CC1(C)[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170389636 1130488219 /nfs/dbraw/zinc/48/82/19/1130488219.db2.gz WWBUZXFIADJWGG-OYBTXZFASA-N 1 1 294.442 3.978 20 30 CHEDMO C[C@@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376557 1130488861 /nfs/dbraw/zinc/48/88/61/1130488861.db2.gz PFXPPUIEOKCSES-FAEJEUNOSA-N 1 1 268.404 3.875 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@@H](c1ccccc1F)C1CCC1 ZINC001255156290 1130496431 /nfs/dbraw/zinc/49/64/31/1130496431.db2.gz HRDTZDGGMPJXDG-XJKSGUPXSA-N 1 1 260.356 3.949 20 30 CHEDMO C=C(Br)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000792923145 1130507712 /nfs/dbraw/zinc/50/77/12/1130507712.db2.gz CYLTYKLWHYCKKC-UHFFFAOYSA-N 1 1 268.198 3.762 20 30 CHEDMO C=C(Br)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000792923145 1130507714 /nfs/dbraw/zinc/50/77/14/1130507714.db2.gz CYLTYKLWHYCKKC-UHFFFAOYSA-N 1 1 268.198 3.762 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793054621 1130514455 /nfs/dbraw/zinc/51/44/55/1130514455.db2.gz MRVAYNXUJSTIPS-UHFFFAOYSA-N 1 1 286.341 3.779 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CCOc2ccccc21 ZINC000679364735 1130523506 /nfs/dbraw/zinc/52/35/06/1130523506.db2.gz LQKFXOCJDAXRTK-MRXNPFEDSA-N 1 1 297.398 3.876 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000793227185 1130531777 /nfs/dbraw/zinc/53/17/77/1130531777.db2.gz PFFYPALJOVUUEI-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO CC(C)(C)c1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001170429414 1130537491 /nfs/dbraw/zinc/53/74/91/1130537491.db2.gz FFXXTRACQAYPLK-UHFFFAOYSA-N 1 1 264.372 3.843 20 30 CHEDMO C#CC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000758423158 1130610438 /nfs/dbraw/zinc/61/04/38/1130610438.db2.gz IPAVKASSHFDAGS-MRXNPFEDSA-N 1 1 273.738 3.791 20 30 CHEDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000758748984 1130624306 /nfs/dbraw/zinc/62/43/06/1130624306.db2.gz SJYQNCJZOHDVAU-INIZCTEOSA-N 1 1 292.810 3.864 20 30 CHEDMO CC(=NOC/C=C\Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000811669642 1130632549 /nfs/dbraw/zinc/63/25/49/1130632549.db2.gz RPIGFXGHOCUSRC-ZKUHRFBOSA-N 1 1 292.810 3.654 20 30 CHEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759154097 1130639959 /nfs/dbraw/zinc/63/99/59/1130639959.db2.gz TWVSEDMPCMHRKW-CQSZACIVSA-N 1 1 288.218 3.925 20 30 CHEDMO C=C(C)C[C@H](Oc1cccc2c1CC[N@H+](C)C2)C(=C)C ZINC001234424475 1130642803 /nfs/dbraw/zinc/64/28/03/1130642803.db2.gz QTJMQRWVJMOYOY-SFHVURJKSA-N 1 1 271.404 3.964 20 30 CHEDMO CC#CC[C@H](CC)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588690 1130658990 /nfs/dbraw/zinc/65/89/90/1130658990.db2.gz PYCISLHGTCXPRA-AWEZNQCLSA-N 1 1 259.349 3.619 20 30 CHEDMO CCCC(N)=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000105605125 1130670641 /nfs/dbraw/zinc/67/06/41/1130670641.db2.gz VCQWNXGPXPJREZ-UHFFFAOYSA-N 1 1 293.754 3.584 20 30 CHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NOC2CCC2)CC1 ZINC000812236164 1130675916 /nfs/dbraw/zinc/67/59/16/1130675916.db2.gz XONGLCVDOSNMRG-UHFFFAOYSA-N 1 1 286.419 3.986 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001234857186 1130684037 /nfs/dbraw/zinc/68/40/37/1130684037.db2.gz RJNBDTXXPDGBLG-MNZLEMJZSA-N 1 1 298.430 3.791 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235115134 1130711900 /nfs/dbraw/zinc/71/19/00/1130711900.db2.gz OLHIMZBCJXPZJT-MRXNPFEDSA-N 1 1 292.382 3.719 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1cc(F)c(F)c(F)c1F ZINC001235351377 1130735009 /nfs/dbraw/zinc/73/50/09/1130735009.db2.gz OLOCPDSUASPELW-UHFFFAOYSA-N 1 1 261.262 3.641 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(F)c(F)c1F ZINC001235351377 1130735014 /nfs/dbraw/zinc/73/50/14/1130735014.db2.gz OLOCPDSUASPELW-UHFFFAOYSA-N 1 1 261.262 3.641 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(C#N)cc1F ZINC000781419667 1130716282 /nfs/dbraw/zinc/71/62/82/1130716282.db2.gz BNMKPGMWEGDVQT-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO Cc1cccc(F)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000781423498 1130716810 /nfs/dbraw/zinc/71/68/10/1130716810.db2.gz RBQWXNXLYUMVLA-GFCCVEGCSA-N 1 1 286.325 3.996 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cccc(C)c1)c1ccc(F)cc1 ZINC000812793368 1130717140 /nfs/dbraw/zinc/71/71/40/1130717140.db2.gz QYBMCCWXZRBMRA-KRWDZBQOSA-N 1 1 253.320 3.598 20 30 CHEDMO CCc1cc(-c2c[nH+]c(N(C)C)cc2C)ccc1C#N ZINC001244953552 1130729002 /nfs/dbraw/zinc/72/90/02/1130729002.db2.gz XYUBBXOCMLXNPW-UHFFFAOYSA-N 1 1 265.360 3.557 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(Br)cc(C)c1F ZINC001235728613 1130774252 /nfs/dbraw/zinc/77/42/52/1130774252.db2.gz MJERVTDPZDIEDM-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Br)cc(C)c1F ZINC001235728613 1130774255 /nfs/dbraw/zinc/77/42/55/1130774255.db2.gz MJERVTDPZDIEDM-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO Cc1cccc(CC[N@H+](C)Cc2ccccc2CC#N)c1 ZINC001235523253 1130750170 /nfs/dbraw/zinc/75/01/70/1130750170.db2.gz OYJNVYQBOCNETF-UHFFFAOYSA-N 1 1 278.399 3.736 20 30 CHEDMO C#CCCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000781947399 1130750330 /nfs/dbraw/zinc/75/03/30/1130750330.db2.gz JSDYUPJKKOUBLH-BBRMVZONSA-N 1 1 277.795 3.515 20 30 CHEDMO C#CCCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000781947399 1130750333 /nfs/dbraw/zinc/75/03/33/1130750333.db2.gz JSDYUPJKKOUBLH-BBRMVZONSA-N 1 1 277.795 3.515 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1CC#N ZINC001235524801 1130750367 /nfs/dbraw/zinc/75/03/67/1130750367.db2.gz GUIKQYFCPMUCDK-OAHLLOKOSA-N 1 1 276.383 3.699 20 30 CHEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccccc1CC#N ZINC001235528077 1130751841 /nfs/dbraw/zinc/75/18/41/1130751841.db2.gz MBJRDCHRPASESK-HNNXBMFYSA-N 1 1 294.398 3.954 20 30 CHEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccccc1CC#N ZINC001235525537 1130752933 /nfs/dbraw/zinc/75/29/33/1130752933.db2.gz NKAZWJKBSWSUDI-UHFFFAOYSA-N 1 1 282.362 3.566 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1c(C)cncc1Br ZINC001235640668 1130760247 /nfs/dbraw/zinc/76/02/47/1130760247.db2.gz DOUOASSAWQJOGW-UHFFFAOYSA-N 1 1 283.213 3.551 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(C)cncc1Br ZINC001235640668 1130760251 /nfs/dbraw/zinc/76/02/51/1130760251.db2.gz DOUOASSAWQJOGW-UHFFFAOYSA-N 1 1 283.213 3.551 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(N)c(F)c1 ZINC001235706390 1130771079 /nfs/dbraw/zinc/77/10/79/1130771079.db2.gz UHQPSCJWSODXMT-UHFFFAOYSA-N 1 1 284.378 3.986 20 30 CHEDMO C=CCCCCCCCN1CCC([NH2+]CC)CC1 ZINC001235726512 1130774194 /nfs/dbraw/zinc/77/41/94/1130774194.db2.gz REOMIMRYYQCVSE-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(C)ccc1OC ZINC000783293440 1130813385 /nfs/dbraw/zinc/81/33/85/1130813385.db2.gz HQANHBDIWFGTEY-KRWDZBQOSA-N 1 1 295.386 3.511 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](C)c1ccc(F)cc1 ZINC000783506092 1130831583 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N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001143726265 1131527246 /nfs/dbraw/zinc/52/72/46/1131527246.db2.gz JVDOYYAMXBIVIR-LRDDRELGSA-N 1 1 274.795 3.976 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccccc1N1CCCC1 ZINC001138613569 1131527344 /nfs/dbraw/zinc/52/73/44/1131527344.db2.gz LJEYSYXVBLORSA-UHFFFAOYSA-N 1 1 258.409 3.685 20 30 CHEDMO C=CCc1cccc(C[N@@H+](C)C[C@H]2CC2(C)C)c1O ZINC001138627990 1131528019 /nfs/dbraw/zinc/52/80/19/1131528019.db2.gz LCEZZVIOIWBKTK-OAHLLOKOSA-N 1 1 259.393 3.599 20 30 CHEDMO C[N@@H+](Cc1c(Cl)cccc1C#N)C[C@H]1CC1(C)C ZINC001143731065 1131528490 /nfs/dbraw/zinc/52/84/90/1131528490.db2.gz KSKVYWSYWDLNTL-GFCCVEGCSA-N 1 1 262.784 3.690 20 30 CHEDMO C[N@H+](Cc1c(Cl)cccc1C#N)C[C@H]1CC1(C)C ZINC001143731065 1131528493 /nfs/dbraw/zinc/52/84/93/1131528493.db2.gz KSKVYWSYWDLNTL-GFCCVEGCSA-N 1 1 262.784 3.690 20 30 CHEDMO C=CCc1cccc(C[N@@H+](Cc2ccco2)C2CC2)c1O ZINC001138629866 1131529547 /nfs/dbraw/zinc/52/95/47/1131529547.db2.gz JSPSWTDQYQGIFN-UHFFFAOYSA-N 1 1 283.371 3.878 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001138662274 1131534088 /nfs/dbraw/zinc/53/40/88/1131534088.db2.gz SBVDWKJBVPIEGU-GDBMZVCRSA-N 1 1 277.383 3.821 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001138662274 1131534094 /nfs/dbraw/zinc/53/40/94/1131534094.db2.gz SBVDWKJBVPIEGU-GDBMZVCRSA-N 1 1 277.383 3.821 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001138664856 1131534330 /nfs/dbraw/zinc/53/43/30/1131534330.db2.gz YBDIDSHJKJCXMK-OAHLLOKOSA-N 1 1 263.356 3.575 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](F)C1 ZINC001138664856 1131534334 /nfs/dbraw/zinc/53/43/34/1131534334.db2.gz YBDIDSHJKJCXMK-OAHLLOKOSA-N 1 1 263.356 3.575 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001138663002 1131534528 /nfs/dbraw/zinc/53/45/28/1131534528.db2.gz KPHABUBSHYCADO-UKRRQHHQSA-N 1 1 263.356 3.574 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001138663002 1131534533 /nfs/dbraw/zinc/53/45/33/1131534533.db2.gz KPHABUBSHYCADO-UKRRQHHQSA-N 1 1 263.356 3.574 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001138663280 1131534556 /nfs/dbraw/zinc/53/45/56/1131534556.db2.gz RFUOUBOVAWGCCY-UHFFFAOYSA-N 1 1 281.346 3.871 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001138663280 1131534559 /nfs/dbraw/zinc/53/45/59/1131534559.db2.gz RFUOUBOVAWGCCY-UHFFFAOYSA-N 1 1 281.346 3.871 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cccnc1NC ZINC001138692718 1131538394 /nfs/dbraw/zinc/53/83/94/1131538394.db2.gz KGALPIPSPFXKTH-UHFFFAOYSA-N 1 1 263.429 3.916 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138780577 1131549060 /nfs/dbraw/zinc/54/90/60/1131549060.db2.gz WSRPUULBSVSBEY-QGZVFWFLSA-N 1 1 293.455 3.984 20 30 CHEDMO N#CCC[N@@H+](Cc1ccccc1OC(F)F)C1CCCC1 ZINC001138908907 1131559983 /nfs/dbraw/zinc/55/99/83/1131559983.db2.gz URYWCMMUHUPMGR-UHFFFAOYSA-N 1 1 294.345 3.946 20 30 CHEDMO N#CCC[N@H+](Cc1ccccc1OC(F)F)C1CCCC1 ZINC001138908907 1131559987 /nfs/dbraw/zinc/55/99/87/1131559987.db2.gz URYWCMMUHUPMGR-UHFFFAOYSA-N 1 1 294.345 3.946 20 30 CHEDMO CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001139009515 1131571080 /nfs/dbraw/zinc/57/10/80/1131571080.db2.gz OMCWNZZUKGETMT-CYBMUJFWSA-N 1 1 292.810 3.864 20 30 CHEDMO CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001139009515 1131571083 /nfs/dbraw/zinc/57/10/83/1131571083.db2.gz OMCWNZZUKGETMT-CYBMUJFWSA-N 1 1 292.810 3.864 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Oc2ncccn2)cc1 ZINC001139081859 1131581521 /nfs/dbraw/zinc/58/15/21/1131581521.db2.gz VOAOFQTULXCIRW-UHFFFAOYSA-N 1 1 283.375 3.667 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001144084447 1131581604 /nfs/dbraw/zinc/58/16/04/1131581604.db2.gz DEMCPGTYBCGEBI-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001144084447 1131581607 /nfs/dbraw/zinc/58/16/07/1131581607.db2.gz DEMCPGTYBCGEBI-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139158335 1131588127 /nfs/dbraw/zinc/58/81/27/1131588127.db2.gz MRNPAYGHAUPHNL-OAHLLOKOSA-N 1 1 281.403 3.787 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(CC)c1O ZINC001144148138 1131592171 /nfs/dbraw/zinc/59/21/71/1131592171.db2.gz MGQQYJHHGNPIDG-AWEZNQCLSA-N 1 1 286.419 3.643 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144246080 1131605478 /nfs/dbraw/zinc/60/54/78/1131605478.db2.gz SEHKZQFUWIOKHQ-MRXNPFEDSA-N 1 1 279.387 3.603 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(-n2cccc2)cc1 ZINC001144245764 1131605672 /nfs/dbraw/zinc/60/56/72/1131605672.db2.gz FGHAGOSMSIZZFK-UHFFFAOYSA-N 1 1 254.377 3.875 20 30 CHEDMO CC1(C)C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139423562 1131607993 /nfs/dbraw/zinc/60/79/93/1131607993.db2.gz FTKPFPFQIOSJFH-UHFFFAOYSA-N 1 1 293.370 3.587 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(=O)[nH]c1)C1CCCCCCC1 ZINC001139466378 1131609919 /nfs/dbraw/zinc/60/99/19/1131609919.db2.gz KITWTPMJDKOOLQ-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO N#CCC1C[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171157870 1131611865 /nfs/dbraw/zinc/61/18/65/1131611865.db2.gz KHKGKOKNCKAUDM-CYBMUJFWSA-N 1 1 295.213 3.696 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519869 1131612777 /nfs/dbraw/zinc/61/27/77/1131612777.db2.gz YKFOBCDOVNINAU-MRXNPFEDSA-N 1 1 276.383 3.594 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1F ZINC001139527872 1131613718 /nfs/dbraw/zinc/61/37/18/1131613718.db2.gz SCBPAKQAKLUTGL-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1F ZINC001139527872 1131613721 /nfs/dbraw/zinc/61/37/21/1131613721.db2.gz SCBPAKQAKLUTGL-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139648570 1131627018 /nfs/dbraw/zinc/62/70/18/1131627018.db2.gz XGOLGOUNLCNFTM-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703830 1131629875 /nfs/dbraw/zinc/62/98/75/1131629875.db2.gz UYHJDDZWDVZDNJ-QWHCGFSZSA-N 1 1 267.376 3.660 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139704669 1131630053 /nfs/dbraw/zinc/63/00/53/1131630053.db2.gz AXVZLOOMQCLXFM-BETUJISGSA-N 1 1 267.376 3.517 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC1(F)F ZINC001139701871 1131630104 /nfs/dbraw/zinc/63/01/04/1131630104.db2.gz RCEGIYCOUXCENT-NSHDSACASA-N 1 1 289.329 3.517 20 30 CHEDMO C[N@H+](Cc1cccc(Cl)c1C#N)CC1CCCC1 ZINC001139691935 1131630299 /nfs/dbraw/zinc/63/02/99/1131630299.db2.gz KGYSPEQUIQSCBD-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C)c(C#N)c1 ZINC001139725766 1131632294 /nfs/dbraw/zinc/63/22/94/1131632294.db2.gz BKIDHBMVMAHJOH-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cn1 ZINC001139765474 1131635824 /nfs/dbraw/zinc/63/58/24/1131635824.db2.gz DCTLDLHEOKXLCL-SFHVURJKSA-N 1 1 281.403 3.715 20 30 CHEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cn1 ZINC001139770241 1131636241 /nfs/dbraw/zinc/63/62/41/1131636241.db2.gz IMHVHTUADDHBSG-QGZVFWFLSA-N 1 1 285.366 3.545 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cn1 ZINC001139770241 1131636244 /nfs/dbraw/zinc/63/62/44/1131636244.db2.gz IMHVHTUADDHBSG-QGZVFWFLSA-N 1 1 285.366 3.545 20 30 CHEDMO C=CCn1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)cn1 ZINC001139770447 1131636993 /nfs/dbraw/zinc/63/69/93/1131636993.db2.gz NOVXNBAMOKMBBL-GOSISDBHSA-N 1 1 299.393 3.935 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)cn1 ZINC001139770447 1131636999 /nfs/dbraw/zinc/63/69/99/1131636999.db2.gz NOVXNBAMOKMBBL-GOSISDBHSA-N 1 1 299.393 3.935 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2sc(-c3ccccc3)nc2C)C1 ZINC001139823326 1131639132 /nfs/dbraw/zinc/63/91/32/1131639132.db2.gz HMCWBRIXVFXXOZ-OAHLLOKOSA-N 1 1 296.439 3.964 20 30 CHEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(F)cc(C#N)c1 ZINC001139875956 1131643943 /nfs/dbraw/zinc/64/39/43/1131643943.db2.gz IZHCILQXBSMOBB-GORDUTHDSA-N 1 1 295.361 3.628 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](C(F)F)C3)c2c1 ZINC001140115266 1131665229 /nfs/dbraw/zinc/66/52/29/1131665229.db2.gz SIPFRZDEYSTDGT-LBPRGKRZSA-N 1 1 289.329 3.517 20 30 CHEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1F ZINC001140140031 1131666359 /nfs/dbraw/zinc/66/63/59/1131666359.db2.gz RTBNIMLFIJWLII-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC001140136064 1131666384 /nfs/dbraw/zinc/66/63/84/1131666384.db2.gz HPXFIKUQDCLIDY-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC001140136064 1131666386 /nfs/dbraw/zinc/66/63/86/1131666386.db2.gz HPXFIKUQDCLIDY-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001171202684 1131670773 /nfs/dbraw/zinc/67/07/73/1131670773.db2.gz DNFSNWCIDZDTGG-OXJNMPFZSA-N 1 1 290.410 3.979 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1F ZINC000846010281 1131677692 /nfs/dbraw/zinc/67/76/92/1131677692.db2.gz IGENIFQXZQGFPV-OAHLLOKOSA-N 1 1 260.356 3.950 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(Cl)cs2)CCCC1 ZINC000846009739 1131677952 /nfs/dbraw/zinc/67/79/52/1131677952.db2.gz DCUDRUXEVVYDJY-UHFFFAOYSA-N 1 1 254.786 3.575 20 30 CHEDMO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008703 1131678027 /nfs/dbraw/zinc/67/80/27/1131678027.db2.gz XCDOSNALEKCVDB-SNRMKQJTSA-N 1 1 298.430 3.516 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171210008 1131685292 /nfs/dbraw/zinc/68/52/92/1131685292.db2.gz OXMQJFDWNQVQSE-OAHLLOKOSA-N 1 1 294.398 3.630 20 30 CHEDMO CC(C)[N@@H+](CC1CC1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221714 1131706808 /nfs/dbraw/zinc/70/68/08/1131706808.db2.gz SVORSJSDVSVXPP-CQSZACIVSA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1F ZINC001171221722 1131707260 /nfs/dbraw/zinc/70/72/60/1131707260.db2.gz TVGSAWRMKJMVPQ-CQSZACIVSA-N 1 1 282.362 3.760 20 30 CHEDMO Cc1cccc(CC[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171223848 1131708669 /nfs/dbraw/zinc/70/86/69/1131708669.db2.gz OCNPEXDZRLKWMY-KRWDZBQOSA-N 1 1 292.426 3.972 20 30 CHEDMO FC(F)(F)c1ccccc1N[NH2+]C=C1CC1(F)F ZINC000834915505 1131732985 /nfs/dbraw/zinc/73/29/85/1131732985.db2.gz KTSYOLYVEUPBME-SSDOTTSWSA-N 1 1 264.197 3.758 20 30 CHEDMO FC(F)(F)c1ccccc1N[NH2+]C=C1CC1(F)F ZINC000834915506 1131733781 /nfs/dbraw/zinc/73/37/81/1131733781.db2.gz KTSYOLYVEUPBME-ZETCQYMHSA-N 1 1 264.197 3.758 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001246629792 1131735586 /nfs/dbraw/zinc/73/55/86/1131735586.db2.gz JVDGIDVQWKRKAN-SQNIBIBYSA-N 1 1 296.499 3.578 20 30 CHEDMO N#Cc1ccc(N[NH2+]C=C2CC2(F)F)cc1C(F)(F)F ZINC000834952755 1131740189 /nfs/dbraw/zinc/74/01/89/1131740189.db2.gz XECZGMCYOQNQNX-QMMMGPOBSA-N 1 1 289.207 3.630 20 30 CHEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2c2ccccc2)nn1 ZINC000846855592 1131752135 /nfs/dbraw/zinc/75/21/35/1131752135.db2.gz HBEPTOLPILOTKG-SFHVURJKSA-N 1 1 296.418 3.581 20 30 CHEDMO C=CCCn1cc(C[N@H+]2CCCC[C@H]2c2ccccc2)nn1 ZINC000846855592 1131752141 /nfs/dbraw/zinc/75/21/41/1131752141.db2.gz HBEPTOLPILOTKG-SFHVURJKSA-N 1 1 296.418 3.581 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000847023393 1131772102 /nfs/dbraw/zinc/77/21/02/1131772102.db2.gz LYFNYEPSAJOKDB-ZDUSSCGKSA-N 1 1 274.433 3.646 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000847023393 1131772108 /nfs/dbraw/zinc/77/21/08/1131772108.db2.gz LYFNYEPSAJOKDB-ZDUSSCGKSA-N 1 1 274.433 3.646 20 30 CHEDMO Cc1c(C#N)cccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228032759 1131793128 /nfs/dbraw/zinc/79/31/28/1131793128.db2.gz ZZBIXXGLFIJMMA-SFHVURJKSA-N 1 1 292.382 3.520 20 30 CHEDMO C=CCC(CC=C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228088131 1131806186 /nfs/dbraw/zinc/80/61/86/1131806186.db2.gz RRMJVSLPTZVQMS-UHFFFAOYSA-N 1 1 271.360 3.570 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001140601395 1131823284 /nfs/dbraw/zinc/82/32/84/1131823284.db2.gz QOFDDWOJKIQXIS-LLVKDONJSA-N 1 1 288.700 3.596 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001140601395 1131823289 /nfs/dbraw/zinc/82/32/89/1131823289.db2.gz QOFDDWOJKIQXIS-LLVKDONJSA-N 1 1 288.700 3.596 20 30 CHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000772986129 1131844063 /nfs/dbraw/zinc/84/40/63/1131844063.db2.gz ADRUHOZSTOOBMH-CQSZACIVSA-N 1 1 283.371 3.705 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ccc(OC)cc1Br ZINC001140760315 1131909867 /nfs/dbraw/zinc/90/98/67/1131909867.db2.gz DNSAZWVFUUEFGO-UHFFFAOYSA-N 1 1 298.224 3.856 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1Br ZINC001140760315 1131909871 /nfs/dbraw/zinc/90/98/71/1131909871.db2.gz DNSAZWVFUUEFGO-UHFFFAOYSA-N 1 1 298.224 3.856 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348175760 1131899509 /nfs/dbraw/zinc/89/95/09/1131899509.db2.gz FGONONNJHSBLJI-AWEZNQCLSA-N 1 1 254.377 3.885 20 30 CHEDMO COc1ccc2oc([C@@H](C)[NH2+]CC3(C#N)CC3)c(C)c2c1 ZINC000348177370 1131900517 /nfs/dbraw/zinc/90/05/17/1131900517.db2.gz YLFVBUKNAPMJEU-GFCCVEGCSA-N 1 1 284.359 3.704 20 30 CHEDMO C=CC[C@@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228550195 1131907625 /nfs/dbraw/zinc/90/76/25/1131907625.db2.gz UFRGKBONFCMMFX-LLVKDONJSA-N 1 1 298.224 3.854 20 30 CHEDMO C=CCOc1ccccc1[C@H](C)Nc1nc2[nH]ccc2c[nH+]1 ZINC001171368441 1131917692 /nfs/dbraw/zinc/91/76/92/1131917692.db2.gz FMKPOOHOTVXVIM-LBPRGKRZSA-N 1 1 294.358 3.647 20 30 CHEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)c1 ZINC001140800516 1131923810 /nfs/dbraw/zinc/92/38/10/1131923810.db2.gz IWVIXDKRRSOUKH-XMQYKBBCSA-N 1 1 274.795 3.915 20 30 CHEDMO C[C@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140808503 1131931666 /nfs/dbraw/zinc/93/16/66/1131931666.db2.gz UEUFDUVPLSUJMO-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@@]1(F)CCCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808274 1131931734 /nfs/dbraw/zinc/93/17/34/1131931734.db2.gz OJYAIYRTDMRIFN-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO C=CCc1ccccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001228845351 1131965285 /nfs/dbraw/zinc/96/52/85/1131965285.db2.gz BNYFGMWNSOSUAQ-VQFNDLOPSA-N 1 1 271.404 3.524 20 30 CHEDMO C=CC[N@H+](C)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140941693 1131967064 /nfs/dbraw/zinc/96/70/64/1131967064.db2.gz RQKMBHYCTHMAKS-UHFFFAOYSA-N 1 1 260.768 3.749 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2C)C1 ZINC001140965019 1131974861 /nfs/dbraw/zinc/97/48/61/1131974861.db2.gz CSIFTUHXKLMSDW-CYBMUJFWSA-N 1 1 297.320 3.739 20 30 CHEDMO C=C[C@H](C#CC(C)(C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228943000 1131982919 /nfs/dbraw/zinc/98/29/19/1131982919.db2.gz CGAPQAREGIROED-QGZVFWFLSA-N 1 1 283.415 3.657 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141006638 1131983900 /nfs/dbraw/zinc/98/39/00/1131983900.db2.gz DDCXAUMQLDVETN-MRXNPFEDSA-N 1 1 283.400 3.546 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141006638 1131983908 /nfs/dbraw/zinc/98/39/08/1131983908.db2.gz DDCXAUMQLDVETN-MRXNPFEDSA-N 1 1 283.400 3.546 20 30 CHEDMO N#Cc1ccc2ccc(OC3CC[NH+](CCF)CC3)cc2c1 ZINC001228968875 1131987961 /nfs/dbraw/zinc/98/79/61/1131987961.db2.gz SMYONJMFPFUJGE-UHFFFAOYSA-N 1 1 298.361 3.524 20 30 CHEDMO C=C[C@H](C)Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229057128 1132008701 /nfs/dbraw/zinc/00/87/01/1132008701.db2.gz CIVJSRSESOFYHF-HNNXBMFYSA-N 1 1 294.398 3.593 20 30 CHEDMO C=C[C@H](C)Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229057128 1132008707 /nfs/dbraw/zinc/00/87/07/1132008707.db2.gz CIVJSRSESOFYHF-HNNXBMFYSA-N 1 1 294.398 3.593 20 30 CHEDMO C=CCCCC[N@H+](C)[C@@H]1CCc2c(F)cccc2C1 ZINC001171442912 1132019276 /nfs/dbraw/zinc/01/92/76/1132019276.db2.gz UNHSYJGAZGJXBX-OAHLLOKOSA-N 1 1 261.384 3.971 20 30 CHEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1Cl ZINC001141114051 1132022070 /nfs/dbraw/zinc/02/20/70/1132022070.db2.gz BYICMCJOYXSFGA-GXSJLCMTSA-N 1 1 295.839 3.620 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488761 1132035813 /nfs/dbraw/zinc/03/58/13/1132035813.db2.gz OUXIIIVPXBUJKL-OAHLLOKOSA-N 1 1 292.373 3.838 20 30 CHEDMO C=CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C(C)(C)C ZINC001171641672 1132082154 /nfs/dbraw/zinc/08/21/54/1132082154.db2.gz SOCDEZXTAYNOJP-UHFFFAOYSA-N 1 1 266.473 3.924 20 30 CHEDMO C=CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C(C)(C)C ZINC001171641672 1132082162 /nfs/dbraw/zinc/08/21/62/1132082162.db2.gz SOCDEZXTAYNOJP-UHFFFAOYSA-N 1 1 266.473 3.924 20 30 CHEDMO C=CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C(C)(C)C ZINC001171641672 1132082171 /nfs/dbraw/zinc/08/21/71/1132082171.db2.gz SOCDEZXTAYNOJP-UHFFFAOYSA-N 1 1 266.473 3.924 20 30 CHEDMO CC(C)C[C@](C)(C#N)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171741439 1132097444 /nfs/dbraw/zinc/09/74/44/1132097444.db2.gz PNQZTMVZCLENJF-QXAKKESOSA-N 1 1 299.462 3.567 20 30 CHEDMO C=CC[NH+]1CCN(Cc2cccc(-c3ccsc3)c2)CC1 ZINC001141384592 1132108956 /nfs/dbraw/zinc/10/89/56/1132108956.db2.gz PPUDVVKYNSEJEO-UHFFFAOYSA-N 1 1 298.455 3.719 20 30 CHEDMO CCC[N@@H+](CCC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171928900 1132114499 /nfs/dbraw/zinc/11/44/99/1132114499.db2.gz ZNCDCEFKQPTPLT-UHFFFAOYSA-N 1 1 294.439 3.513 20 30 CHEDMO C=C(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062540 1132125190 /nfs/dbraw/zinc/12/51/90/1132125190.db2.gz PCJLVEZSCZYMQA-LDLYASANSA-N 1 1 284.447 3.738 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CSc2ccccc2C1 ZINC001172201746 1132148567 /nfs/dbraw/zinc/14/85/67/1132148567.db2.gz IYAQAOMXTPFNTB-QGZVFWFLSA-N 1 1 294.423 3.707 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccs1 ZINC001172308666 1132153804 /nfs/dbraw/zinc/15/38/04/1132153804.db2.gz YXVVSZILOIUYSN-AWEZNQCLSA-N 1 1 284.428 3.725 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001172308383 1132154087 /nfs/dbraw/zinc/15/40/87/1132154087.db2.gz XJZVLBIWDYQOBX-KFWWJZLASA-N 1 1 256.393 3.610 20 30 CHEDMO COc1cccc2c1C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172310014 1132154860 /nfs/dbraw/zinc/15/48/60/1132154860.db2.gz DEGBOSTVCFVQPI-AWEZNQCLSA-N 1 1 292.382 3.514 20 30 CHEDMO Cc1cccc2c1C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172316292 1132157227 /nfs/dbraw/zinc/15/72/27/1132157227.db2.gz REOIKRSSOJUKPW-OAHLLOKOSA-N 1 1 276.383 3.814 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC1CCCC1 ZINC001172319108 1132158441 /nfs/dbraw/zinc/15/84/41/1132158441.db2.gz LIGBIZDDJIRLKY-AWEZNQCLSA-N 1 1 256.393 3.611 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCN(C)C1 ZINC001172345789 1132180759 /nfs/dbraw/zinc/18/07/59/1132180759.db2.gz COANLEKBDTTXJV-HOTGVXAUSA-N 1 1 254.462 3.667 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC001172355212 1132184619 /nfs/dbraw/zinc/18/46/19/1132184619.db2.gz ADGDZKQLBQBTQQ-OWCLPIDISA-N 1 1 255.446 3.828 20 30 CHEDMO CCCCCCC[C@H](CC)N1CC([NH+]2CCCC2)C1 ZINC001172355388 1132184658 /nfs/dbraw/zinc/18/46/58/1132184658.db2.gz OCDFDIFJGOTSBD-INIZCTEOSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN(C)[C@H](C)C1 ZINC001172354496 1132184702 /nfs/dbraw/zinc/18/47/02/1132184702.db2.gz IDEOTMJOELOSNS-HZPDHXFCSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172356021 1132185105 /nfs/dbraw/zinc/18/51/05/1132185105.db2.gz FYSXICHPHUYTSR-AEFFLSMTSA-N 1 1 294.483 3.728 20 30 CHEDMO C=C[C@H](CCCCC)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230508508 1132188655 /nfs/dbraw/zinc/18/86/55/1132188655.db2.gz WYRLZPNUVRZCOX-LLVKDONJSA-N 1 1 259.353 3.659 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141586213 1132191823 /nfs/dbraw/zinc/19/18/23/1132191823.db2.gz XHPYQEWEMRZBAC-LBPRGKRZSA-N 1 1 287.794 3.947 20 30 CHEDMO CC[C@H](CC(C)C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172395414 1132218511 /nfs/dbraw/zinc/21/85/11/1132218511.db2.gz GFWCAAOWXHIWDX-QGZVFWFLSA-N 1 1 256.393 3.741 20 30 CHEDMO C#CC[N@H+]([C@@H](C)CCOC(C)C)[C@@H]1CCc2ccccc21 ZINC001172449531 1132237363 /nfs/dbraw/zinc/23/73/63/1132237363.db2.gz VJCBBZIIUXSASH-QFBILLFUSA-N 1 1 285.431 3.813 20 30 CHEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)CCCC#N)C2)cc1 ZINC001172498150 1132248527 /nfs/dbraw/zinc/24/85/27/1132248527.db2.gz JGAPYSQKJFLEPV-HOCLYGCPSA-N 1 1 272.392 3.567 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001172494454 1132248911 /nfs/dbraw/zinc/24/89/11/1132248911.db2.gz UXJIKQOVBKGPII-QFBILLFUSA-N 1 1 293.414 3.975 20 30 CHEDMO CCCCCCC[C@H](CCC)[NH2+][C@@H](C)C(=O)OC ZINC001172502517 1132251062 /nfs/dbraw/zinc/25/10/62/1132251062.db2.gz QYLHCYRTMJAZOR-KBPBESRZSA-N 1 1 257.418 3.667 20 30 CHEDMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172504261 1132252720 /nfs/dbraw/zinc/25/27/20/1132252720.db2.gz FLFNFXXZRRWFQE-YOEHRIQHSA-N 1 1 272.392 3.914 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001172504657 1132254805 /nfs/dbraw/zinc/25/48/05/1132254805.db2.gz HPOBOWSTAWJEEJ-RHSMWYFYSA-N 1 1 274.383 3.915 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001172506987 1132255711 /nfs/dbraw/zinc/25/57/11/1132255711.db2.gz NHMWSJXVGMSIHV-DOTOQJQBSA-N 1 1 256.393 3.633 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172508245 1132255789 /nfs/dbraw/zinc/25/57/89/1132255789.db2.gz BYDAYHWVUHABTL-HLLBOEOZSA-N 1 1 272.392 3.531 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001172507526 1132256062 /nfs/dbraw/zinc/25/60/62/1132256062.db2.gz VTLSTRMJKSBVGB-CWJHNBGESA-N 1 1 260.425 3.969 20 30 CHEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172506781 1132256368 /nfs/dbraw/zinc/25/63/68/1132256368.db2.gz JAFBTHFQGQDQPB-JKSUJKDBSA-N 1 1 272.392 3.531 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001172508377 1132256523 /nfs/dbraw/zinc/25/65/23/1132256523.db2.gz JQOZVUIOFSBQLS-ARFHVFGLSA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@](F)(CO)C1 ZINC001172509113 1132257479 /nfs/dbraw/zinc/25/74/79/1132257479.db2.gz SUEMKDLSEUXBED-HZPDHXFCSA-N 1 1 273.436 3.922 20 30 CHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)CCCC#N)CCC2 ZINC001172509949 1132257564 /nfs/dbraw/zinc/25/75/64/1132257564.db2.gz 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/nfs/dbraw/zinc/47/20/36/1135472036.db2.gz OWVSGPGYFHUJGL-RBUKOAKNSA-N 1 1 285.431 3.708 20 30 CHEDMO C#C[C@@H](CCCCC)Oc1cc(N)[nH+]c2ccccc21 ZINC001226418877 1135694674 /nfs/dbraw/zinc/69/46/74/1135694674.db2.gz RLNHUSPAKTZKMM-ZDUSSCGKSA-N 1 1 268.360 3.778 20 30 CHEDMO CC(C)[N@@H+]1CC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226585444 1135715580 /nfs/dbraw/zinc/71/55/80/1135715580.db2.gz NTLRSFSYNBKGKT-LLVKDONJSA-N 1 1 299.201 3.727 20 30 CHEDMO CC(C)[N@H+]1CC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226585444 1135715584 /nfs/dbraw/zinc/71/55/84/1135715584.db2.gz NTLRSFSYNBKGKT-LLVKDONJSA-N 1 1 299.201 3.727 20 30 CHEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226813180 1135744772 /nfs/dbraw/zinc/74/47/72/1135744772.db2.gz MNWYDPZYLZAAME-LJQANCHMSA-N 1 1 294.398 3.963 20 30 CHEDMO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103140764 261274385 /nfs/dbraw/zinc/27/43/85/261274385.db2.gz ZNGWJENFOFKQIK-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103140764 261274386 /nfs/dbraw/zinc/27/43/86/261274386.db2.gz ZNGWJENFOFKQIK-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177358139 261350523 /nfs/dbraw/zinc/35/05/23/261350523.db2.gz OKBLVMKPUMZFRI-GFCCVEGCSA-N 1 1 267.294 3.541 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000347262433 533496021 /nfs/dbraw/zinc/49/60/21/533496021.db2.gz DHHLEFPNHJUBDI-GFCCVEGCSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2sccc2[C@H]1C ZINC000347262433 533496026 /nfs/dbraw/zinc/49/60/26/533496026.db2.gz DHHLEFPNHJUBDI-GFCCVEGCSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC000347251739 533496869 /nfs/dbraw/zinc/49/68/69/533496869.db2.gz HFGDAVKVUMASEX-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1ccc(CNc2[nH+]cccc2C(C)C)cc1C#N ZINC000341949006 130155614 /nfs/dbraw/zinc/15/56/14/130155614.db2.gz KXEQFUDXKHWTAX-UHFFFAOYSA-N 1 1 281.359 3.697 20 30 CHEDMO CSc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338379240 262530767 /nfs/dbraw/zinc/53/07/67/262530767.db2.gz KBESNJYMLQOWQT-GFCCVEGCSA-N 1 1 260.406 3.533 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000035164199 172025919 /nfs/dbraw/zinc/02/59/19/172025919.db2.gz DMRSXMYXJJFSCK-SJORKVTESA-N 1 1 254.377 3.713 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)CCC#N ZINC000411201572 262684279 /nfs/dbraw/zinc/68/42/79/262684279.db2.gz LQGPWDLVOLBLIF-LBPRGKRZSA-N 1 1 250.773 3.854 20 30 CHEDMO CC(C)(C)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411675156 262703920 /nfs/dbraw/zinc/70/39/20/262703920.db2.gz OTBZBOHFGDMADW-OAHLLOKOSA-N 1 1 278.440 3.597 20 30 CHEDMO N#CCC1CC[NH+](Cc2cscc2Br)CC1 ZINC000336486543 227059764 /nfs/dbraw/zinc/05/97/64/227059764.db2.gz IWJZVGURELPCFY-UHFFFAOYSA-N 1 1 299.237 3.636 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000336516148 227082192 /nfs/dbraw/zinc/08/21/92/227082192.db2.gz HVIZZROYXUWNHK-KRWDZBQOSA-N 1 1 296.345 3.570 20 30 CHEDMO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2)CCC1 ZINC000329205391 227351627 /nfs/dbraw/zinc/35/16/27/227351627.db2.gz DJOJXELZUSVULU-INIZCTEOSA-N 1 1 297.402 3.616 20 30 CHEDMO Cc1cc(C)c(C[N@@H+](CCC#N)CC2CC2)c(C)c1 ZINC000353415344 228098892 /nfs/dbraw/zinc/09/88/92/228098892.db2.gz HMGYQVJDWYXJNT-UHFFFAOYSA-N 1 1 256.393 3.738 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000353843618 228158480 /nfs/dbraw/zinc/15/84/80/228158480.db2.gz IZCXBLOEOSLDGV-ZFWWWQNUSA-N 1 1 260.406 3.774 20 30 CHEDMO C=CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000522554138 260044841 /nfs/dbraw/zinc/04/48/41/260044841.db2.gz JSSWUXLWDHIYLQ-UHFFFAOYSA-N 1 1 280.755 3.646 20 30 CHEDMO C=CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccs1 ZINC000179719413 260065178 /nfs/dbraw/zinc/06/51/78/260065178.db2.gz ANDVPCBLGFYAJY-UHFFFAOYSA-N 1 1 275.421 3.714 20 30 CHEDMO C=CC[N@H+](Cc1cnn(C(C)C)c1)Cc1cccs1 ZINC000179719413 260065179 /nfs/dbraw/zinc/06/51/79/260065179.db2.gz ANDVPCBLGFYAJY-UHFFFAOYSA-N 1 1 275.421 3.714 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000497132930 260072064 /nfs/dbraw/zinc/07/20/64/260072064.db2.gz SPLVQXMWVCABCD-UHFFFAOYSA-N 1 1 275.726 3.949 20 30 CHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCc2ccccc21 ZINC000179909562 260079737 /nfs/dbraw/zinc/07/97/37/260079737.db2.gz YEACASWMWHXJJJ-INIZCTEOSA-N 1 1 256.393 3.936 20 30 CHEDMO N#Cc1cc(C[N@@H+](Cc2cccs2)C2CC2)ccc1F ZINC000160754342 260115729 /nfs/dbraw/zinc/11/57/29/260115729.db2.gz QATINUVQYIIAEJ-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO C[C@]12CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]1C2(F)F ZINC000298289556 260150049 /nfs/dbraw/zinc/15/00/49/260150049.db2.gz OWVPXHCJSZDNTL-CABCVRRESA-N 1 1 295.760 3.669 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000080260945 260179050 /nfs/dbraw/zinc/17/90/50/260179050.db2.gz BOSALRNPTSPXRJ-RISCZKNCSA-N 1 1 271.389 3.817 20 30 CHEDMO COc1ccc(C[N@@H+](CCCC#N)[C@H](C)C2CC2)cc1 ZINC000053097895 260212975 /nfs/dbraw/zinc/21/29/75/260212975.db2.gz UOYYHVNHQRNYNZ-CQSZACIVSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000363468738 260274963 /nfs/dbraw/zinc/27/49/63/260274963.db2.gz MHYIJVZUGHCXGN-SJORKVTESA-N 1 1 286.419 3.514 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCSCC#N)C1 ZINC000074991203 260289513 /nfs/dbraw/zinc/28/95/13/260289513.db2.gz WUIOOBWLIHJYIA-CVEARBPZSA-N 1 1 288.460 3.820 20 30 CHEDMO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000093515134 260290126 /nfs/dbraw/zinc/29/01/26/260290126.db2.gz XCXIKWQMLZFANS-RVKKMQEKSA-N 1 1 285.435 3.520 20 30 CHEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000093515132 260290439 /nfs/dbraw/zinc/29/04/39/260290439.db2.gz XCXIKWQMLZFANS-VKJFTORMSA-N 1 1 285.435 3.520 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000130430474 260396284 /nfs/dbraw/zinc/39/62/84/260396284.db2.gz GJGHUMBFTQLXSI-GFCCVEGCSA-N 1 1 286.400 3.821 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000448198261 260965910 /nfs/dbraw/zinc/96/59/10/260965910.db2.gz QVIQQFNPXGCRRV-OAHLLOKOSA-N 1 1 297.373 3.879 20 30 CHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCCCC#N)CCC2 ZINC000152650885 261067508 /nfs/dbraw/zinc/06/75/08/261067508.db2.gz LKIIBIQMECMBIF-CYBMUJFWSA-N 1 1 277.437 3.709 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448270207 261076603 /nfs/dbraw/zinc/07/66/03/261076603.db2.gz DFGNOBAGIFJQDI-ZJPYXAASSA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448270207 261076605 /nfs/dbraw/zinc/07/66/05/261076605.db2.gz DFGNOBAGIFJQDI-ZJPYXAASSA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@H]1COc2ccccc2C[N@H+]1CCCCC(C)(C)C#N ZINC000444690974 261077853 /nfs/dbraw/zinc/07/78/53/261077853.db2.gz WIAHIILKINTTOD-HNNXBMFYSA-N 1 1 286.419 3.990 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449013091 261093221 /nfs/dbraw/zinc/09/32/21/261093221.db2.gz ATLFDVOAGNTOFN-VXGBXAGGSA-N 1 1 266.335 3.550 20 30 CHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000173004392 261156168 /nfs/dbraw/zinc/15/61/68/261156168.db2.gz URNLRZWSOPHEOX-OAHLLOKOSA-N 1 1 294.398 3.630 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)ccc1C#N ZINC000300196267 261182620 /nfs/dbraw/zinc/18/26/20/261182620.db2.gz HNSKTZGLXQHWML-BBRMVZONSA-N 1 1 272.392 3.577 20 30 CHEDMO CC1CCC([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000229747857 261218828 /nfs/dbraw/zinc/21/88/28/261218828.db2.gz SVQFSQVVNLEQJJ-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162869120 261296741 /nfs/dbraw/zinc/29/67/41/261296741.db2.gz DTZLJWRTOUBPJX-LLVKDONJSA-N 1 1 250.773 3.832 20 30 CHEDMO N#CCC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000335876733 261332673 /nfs/dbraw/zinc/33/26/73/261332673.db2.gz IEHKJYZVZPWQNA-UHFFFAOYSA-N 1 1 266.747 3.605 20 30 CHEDMO C[N@@H+](CCCCc1ccccc1)CCCSCC#N ZINC000173868611 261547073 /nfs/dbraw/zinc/54/70/73/261547073.db2.gz QJARDDCGIWCADO-UHFFFAOYSA-N 1 1 276.449 3.588 20 30 CHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCC#N ZINC000184265426 262013901 /nfs/dbraw/zinc/01/39/01/262013901.db2.gz MUUDBWOFWNRPIV-NSHDSACASA-N 1 1 259.378 3.593 20 30 CHEDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCC#N ZINC000184265426 262013899 /nfs/dbraw/zinc/01/38/99/262013899.db2.gz MUUDBWOFWNRPIV-NSHDSACASA-N 1 1 259.378 3.593 20 30 CHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCCSCC#N ZINC000186036336 262076535 /nfs/dbraw/zinc/07/65/35/262076535.db2.gz CALWJYUZRHBHCO-QGZVFWFLSA-N 1 1 288.460 3.730 20 30 CHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000364316603 262199468 /nfs/dbraw/zinc/19/94/68/262199468.db2.gz BGTBYXTWXYUYAT-QGZVFWFLSA-N 1 1 286.419 3.698 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000364350512 262212986 /nfs/dbraw/zinc/21/29/86/262212986.db2.gz GOSJCSUEVXMOTR-QGZVFWFLSA-N 1 1 291.483 3.657 20 30 CHEDMO CC(C)(C#N)CCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000364350512 262212987 /nfs/dbraw/zinc/21/29/87/262212987.db2.gz GOSJCSUEVXMOTR-QGZVFWFLSA-N 1 1 291.483 3.657 20 30 CHEDMO CC(C)(C#N)CCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000365442363 262365390 /nfs/dbraw/zinc/36/53/90/262365390.db2.gz JQLJGUPBXJWZCZ-QGZVFWFLSA-N 1 1 291.483 3.657 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000508962405 262372973 /nfs/dbraw/zinc/37/29/73/262372973.db2.gz FPSXNKBLGGZYKW-ZDUSSCGKSA-N 1 1 264.438 3.981 20 30 CHEDMO CSc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338379240 262530766 /nfs/dbraw/zinc/53/07/66/262530766.db2.gz KBESNJYMLQOWQT-GFCCVEGCSA-N 1 1 260.406 3.533 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000411753093 262706182 /nfs/dbraw/zinc/70/61/82/262706182.db2.gz FEVKJAGKBOEBNK-TZMCWYRMSA-N 1 1 262.784 3.822 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411867043 262708749 /nfs/dbraw/zinc/70/87/49/262708749.db2.gz IKIZLCXCVFWLQD-CQSZACIVSA-N 1 1 286.444 3.981 20 30 CHEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000414520206 262979586 /nfs/dbraw/zinc/97/95/86/262979586.db2.gz CJUABXHGXPMXEC-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000272029321 263001492 /nfs/dbraw/zinc/00/14/92/263001492.db2.gz OTDDRIVTIJIDHT-OAHLLOKOSA-N 1 1 274.408 3.636 20 30 CHEDMO COc1c(O)cccc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000272419227 263004042 /nfs/dbraw/zinc/00/40/42/263004042.db2.gz LPMBXKKNFHCXOW-MRXNPFEDSA-N 1 1 296.370 3.535 20 30 CHEDMO COc1c(O)cccc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000272419223 263004198 /nfs/dbraw/zinc/00/41/98/263004198.db2.gz LPMBXKKNFHCXOW-INIZCTEOSA-N 1 1 296.370 3.535 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000272527021 263005654 /nfs/dbraw/zinc/00/56/54/263005654.db2.gz MGDDDWYYBZAQDE-JSGCOSHPSA-N 1 1 258.365 3.529 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000276290720 263035836 /nfs/dbraw/zinc/03/58/36/263035836.db2.gz HRDZCCZJXAXMIP-NSHDSACASA-N 1 1 270.298 3.829 20 30 CHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H](C)CCC#N)C3)nc2c1 ZINC000276306128 263036160 /nfs/dbraw/zinc/03/61/60/263036160.db2.gz LDEPZMVMTUBMGQ-LSDHHAIUSA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306128 263036161 /nfs/dbraw/zinc/03/61/61/263036161.db2.gz LDEPZMVMTUBMGQ-LSDHHAIUSA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306128 263036162 /nfs/dbraw/zinc/03/61/62/263036162.db2.gz LDEPZMVMTUBMGQ-LSDHHAIUSA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1cccc2c1C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000277077645 263039550 /nfs/dbraw/zinc/03/95/50/263039550.db2.gz FAYUNTMNMICGLT-UHFFFAOYSA-N 1 1 256.393 3.683 20 30 CHEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000277732947 263043022 /nfs/dbraw/zinc/04/30/22/263043022.db2.gz OHHZVEWRNDQDHP-INIZCTEOSA-N 1 1 273.424 3.882 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nc2ccccc2o1 ZINC000277838365 263043864 /nfs/dbraw/zinc/04/38/64/263043864.db2.gz WTHUVYNOSOPQOM-UHFFFAOYSA-N 1 1 285.391 3.980 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CC[C@H](C#N)C1 ZINC000278578710 263049064 /nfs/dbraw/zinc/04/90/64/263049064.db2.gz JWSWCJCPMQYSFN-WDEREUQCSA-N 1 1 268.813 3.916 20 30 CHEDMO C[N@@H+](Cc1csc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278750921 263050634 /nfs/dbraw/zinc/05/06/34/263050634.db2.gz WZVDKRKONDNLEA-KOLCDFICSA-N 1 1 299.237 3.635 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281925816 263073153 /nfs/dbraw/zinc/07/31/53/263073153.db2.gz HQOJJCMAYJHPDZ-MRXNPFEDSA-N 1 1 286.419 3.780 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)s1 ZINC000281948813 263073293 /nfs/dbraw/zinc/07/32/93/263073293.db2.gz JKRBDEAAQFIVBS-UHFFFAOYSA-N 1 1 292.448 3.589 20 30 CHEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccco1 ZINC000282124542 263074509 /nfs/dbraw/zinc/07/45/09/263074509.db2.gz YDDZGBULWSGHCD-UHFFFAOYSA-N 1 1 290.407 3.591 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353544743 263138452 /nfs/dbraw/zinc/13/84/52/263138452.db2.gz QJCKQUAVLPJONF-CQSZACIVSA-N 1 1 263.385 3.651 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000293218236 263138737 /nfs/dbraw/zinc/13/87/37/263138737.db2.gz VJWKYXVZNCIANR-JHNDHUHGSA-N 1 1 254.377 3.557 20 30 CHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293347746 263139348 /nfs/dbraw/zinc/13/93/48/263139348.db2.gz DLVVMSIZGHISFB-BXUZGUMPSA-N 1 1 282.309 3.829 20 30 CHEDMO COc1ccc2cc(C[N@@H+](C)[C@@H]3CC[C@@H](C#N)C3)ccc2c1 ZINC000293508091 263142264 /nfs/dbraw/zinc/14/22/64/263142264.db2.gz OCSGNQLYMMUIMQ-RDTXWAMCSA-N 1 1 294.398 3.972 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000294076874 263155533 /nfs/dbraw/zinc/15/55/33/263155533.db2.gz KZZJCHTXVMUTKJ-TZMCWYRMSA-N 1 1 260.406 3.533 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccncc1C ZINC000294803822 263167816 /nfs/dbraw/zinc/16/78/16/263167816.db2.gz LNBVEBJKXQEUQC-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccncc1C ZINC000294803822 263167817 /nfs/dbraw/zinc/16/78/17/263167817.db2.gz LNBVEBJKXQEUQC-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000299280366 263237509 /nfs/dbraw/zinc/23/75/09/263237509.db2.gz MZQIHNNPQXIEMS-OCCSQVGLSA-N 1 1 262.784 3.822 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000299280378 263237536 /nfs/dbraw/zinc/23/75/36/263237536.db2.gz MZQIHNNPQXIEMS-TZMCWYRMSA-N 1 1 262.784 3.822 20 30 CHEDMO CCCCCOc1ccc([C@@H](C)[NH2+]CCC#N)cc1OC ZINC000299704275 263253232 /nfs/dbraw/zinc/25/32/32/263253232.db2.gz PIHZUKJUIOBJOL-CQSZACIVSA-N 1 1 290.407 3.828 20 30 CHEDMO N#CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000299732723 263253898 /nfs/dbraw/zinc/25/38/98/263253898.db2.gz XXGUQWBTEODHBZ-GOSISDBHSA-N 1 1 264.372 3.864 20 30 CHEDMO C=CC[N@@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000121209750 263292175 /nfs/dbraw/zinc/29/21/75/263292175.db2.gz YQFXYHCUIXLLLF-SNVBAGLBSA-N 1 1 265.307 3.610 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000121209750 263292177 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C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000425367513 264211913 /nfs/dbraw/zinc/21/19/13/264211913.db2.gz TYNSURRYGHLKAP-GFCCVEGCSA-N 1 1 281.384 3.684 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000425367514 264212461 /nfs/dbraw/zinc/21/24/61/264212461.db2.gz TYNSURRYGHLKAP-LBPRGKRZSA-N 1 1 281.384 3.684 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000075750012 264327218 /nfs/dbraw/zinc/32/72/18/264327218.db2.gz MTWMVSHFUCBROF-UHFFFAOYSA-N 1 1 280.437 3.510 20 30 CHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000130136268 264340640 /nfs/dbraw/zinc/34/06/40/264340640.db2.gz YZWMFVRNMXOADA-UHFFFAOYSA-N 1 1 274.408 3.530 20 30 CHEDMO C=C(C)CCc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000285105870 264548752 /nfs/dbraw/zinc/54/87/52/264548752.db2.gz LPCHTVPHODOYEE-FRRDWIJNSA-N 1 1 263.385 3.512 20 30 CHEDMO N#Cc1csc(C[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000356214551 266072834 /nfs/dbraw/zinc/07/28/34/266072834.db2.gz AOXSCYYRMHOZJL-UHFFFAOYSA-N 1 1 275.421 3.561 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000356225614 266075799 /nfs/dbraw/zinc/07/57/99/266075799.db2.gz VHYGBBDXFNBINR-INIZCTEOSA-N 1 1 297.427 3.612 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356299333 266091842 /nfs/dbraw/zinc/09/18/42/266091842.db2.gz KFNGIXSYCOAIPE-WFASDCNBSA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356299333 266091845 /nfs/dbraw/zinc/09/18/45/266091845.db2.gz KFNGIXSYCOAIPE-WFASDCNBSA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356319309 266094940 /nfs/dbraw/zinc/09/49/40/266094940.db2.gz MTEMZBGMJVFFGY-VXGBXAGGSA-N 1 1 277.437 3.661 20 30 CHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356319309 266094943 /nfs/dbraw/zinc/09/49/43/266094943.db2.gz MTEMZBGMJVFFGY-VXGBXAGGSA-N 1 1 277.437 3.661 20 30 CHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000359306546 266563077 /nfs/dbraw/zinc/56/30/77/266563077.db2.gz XFHDKDDUPGTZDX-SUMWQHHRSA-N 1 1 272.367 3.709 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccccc2F)ccc1C#N ZINC000362954168 267065883 /nfs/dbraw/zinc/06/58/83/267065883.db2.gz HSJNVRBEAQMDLD-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2ccccc2F)ccc1C#N ZINC000362954168 267065885 /nfs/dbraw/zinc/06/58/85/267065885.db2.gz HSJNVRBEAQMDLD-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO N#CCCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000368359463 267165758 /nfs/dbraw/zinc/16/57/58/267165758.db2.gz CWCPGWRYSRIWEV-CYBMUJFWSA-N 1 1 282.309 3.798 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000368827650 267207210 /nfs/dbraw/zinc/20/72/10/267207210.db2.gz YQTZHCLKMIDXEH-INIZCTEOSA-N 1 1 278.440 3.597 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000369292151 267232192 /nfs/dbraw/zinc/23/21/92/267232192.db2.gz CWKQTWDLUGXPPY-UHFFFAOYSA-N 1 1 290.382 3.740 20 30 CHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000119275565 267314949 /nfs/dbraw/zinc/31/49/49/267314949.db2.gz XFHVUGBENZRPQL-UHFFFAOYSA-N 1 1 295.411 3.904 20 30 CHEDMO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435724 267375872 /nfs/dbraw/zinc/37/58/72/267375872.db2.gz OWMIFJXMKOPSIS-MRXNPFEDSA-N 1 1 299.462 3.863 20 30 CHEDMO CC1(C)CC[C@H]2C[C@@H]([NH2+]CCC#N)c3cccc1c32 ZINC000580184639 327724066 /nfs/dbraw/zinc/72/40/66/327724066.db2.gz LYUBJLAKXKLBKE-SWLSCSKDSA-N 1 1 254.377 3.790 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534218240 328039786 /nfs/dbraw/zinc/03/97/86/328039786.db2.gz UYSWCLLYFLSKAH-GOSISDBHSA-N 1 1 270.420 3.980 20 30 CHEDMO COc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1C#N ZINC000534350285 328047988 /nfs/dbraw/zinc/04/79/88/328047988.db2.gz FTJUZFKBIFAAKL-SFYZZRBRSA-N 1 1 296.414 3.577 20 30 CHEDMO CCC[N@@H+](CCc1cccc(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000411284113 328081842 /nfs/dbraw/zinc/08/18/42/328081842.db2.gz RQBQSHZEXOBBNS-WBVHZDCISA-N 1 1 274.383 3.772 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000571176075 328089617 /nfs/dbraw/zinc/08/96/17/328089617.db2.gz QSFUVYFHMQNFHV-HZPDHXFCSA-N 1 1 258.409 3.924 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000571176071 328089744 /nfs/dbraw/zinc/08/97/44/328089744.db2.gz QSFUVYFHMQNFHV-CVEARBPZSA-N 1 1 258.409 3.924 20 30 CHEDMO CSC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411760777 328099010 /nfs/dbraw/zinc/09/90/10/328099010.db2.gz STPPTVQXJZNOOY-HNNXBMFYSA-N 1 1 280.481 3.926 20 30 CHEDMO CCN(CC)CC[N@H+](CCCCC#N)Cc1ccccc1 ZINC000267392230 328177656 /nfs/dbraw/zinc/17/76/56/328177656.db2.gz PCZMBQXFCIMUBG-UHFFFAOYSA-N 1 1 287.451 3.524 20 30 CHEDMO CCN(CC)CC[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000267392230 328177658 /nfs/dbraw/zinc/17/76/58/328177658.db2.gz PCZMBQXFCIMUBG-UHFFFAOYSA-N 1 1 287.451 3.524 20 30 CHEDMO CC[N@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1O ZINC000271043240 328194633 /nfs/dbraw/zinc/19/46/33/328194633.db2.gz ONEYLVDRBTXNNP-UHFFFAOYSA-N 1 1 280.371 3.795 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1O ZINC000271043240 328194634 /nfs/dbraw/zinc/19/46/34/328194634.db2.gz ONEYLVDRBTXNNP-UHFFFAOYSA-N 1 1 280.371 3.795 20 30 CHEDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278623401 328228737 /nfs/dbraw/zinc/22/87/37/328228737.db2.gz NMVKVEGBKOYMQD-YPMHNXCESA-N 1 1 298.308 3.709 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccncc1F ZINC000340308579 328254443 /nfs/dbraw/zinc/25/44/43/328254443.db2.gz JAIPPZHAXJHHGM-CXAGYDPISA-N 1 1 283.350 3.916 20 30 CHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](CCOCCC#N)C1CC1 ZINC000293277082 328274922 /nfs/dbraw/zinc/27/49/22/328274922.db2.gz YHQONTNLLAFXLR-ZDUSSCGKSA-N 1 1 292.810 3.796 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H]2CCCC[C@H]12 ZINC000535072793 328384389 /nfs/dbraw/zinc/38/43/89/328384389.db2.gz OVKVMZJSZVZDMH-WQVCFCJDSA-N 1 1 258.365 3.552 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000516903585 327039403 /nfs/dbraw/zinc/03/94/03/327039403.db2.gz 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ZINC000559985418 327275644 /nfs/dbraw/zinc/27/56/44/327275644.db2.gz YTWCENKQLUBQBK-QGZVFWFLSA-N 1 1 282.391 3.577 20 30 CHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000112560562 327286662 /nfs/dbraw/zinc/28/66/62/327286662.db2.gz FGEINKIDBKBIGB-DZGCQCFKSA-N 1 1 287.794 3.573 20 30 CHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000112560562 327286664 /nfs/dbraw/zinc/28/66/64/327286664.db2.gz FGEINKIDBKBIGB-DZGCQCFKSA-N 1 1 287.794 3.573 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000150895145 327396005 /nfs/dbraw/zinc/39/60/05/327396005.db2.gz FGIFKDZGZAMPDB-OAHLLOKOSA-N 1 1 299.418 3.563 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000561485252 327398128 /nfs/dbraw/zinc/39/81/28/327398128.db2.gz CDIUBPDIDAUBOU-SFHVURJKSA-N 1 1 280.346 3.629 20 30 CHEDMO C=CC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000536672318 328679647 /nfs/dbraw/zinc/67/96/47/328679647.db2.gz USTLYSMYERDRIX-UHFFFAOYSA-N 1 1 255.283 3.502 20 30 CHEDMO CC(C)(C)OC(=O)C1([NH2+]CCCC(C)(C)C#N)CCCC1 ZINC000532704481 328806073 /nfs/dbraw/zinc/80/60/73/328806073.db2.gz RBKCSGIHFZYTGL-UHFFFAOYSA-N 1 1 294.439 3.560 20 30 CHEDMO N#Cc1ccc(OCCNc2cc[nH+]c3ccsc32)cc1 ZINC000361125183 328914639 /nfs/dbraw/zinc/91/46/39/328914639.db2.gz WAUDBFUWIYNMCS-UHFFFAOYSA-N 1 1 295.367 3.659 20 30 CHEDMO CC[N@@H+](C[C@@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760507 329061787 /nfs/dbraw/zinc/06/17/87/329061787.db2.gz JDNMMSQBBVHWRL-YOEHRIQHSA-N 1 1 272.392 3.510 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)s1 ZINC000360035811 329070359 /nfs/dbraw/zinc/07/03/59/329070359.db2.gz KQILVECGUVIYTH-UHFFFAOYSA-N 1 1 295.367 3.565 20 30 CHEDMO C=CCCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582610468 329116392 /nfs/dbraw/zinc/11/63/92/329116392.db2.gz XRXDXZWPYSQNIL-INIZCTEOSA-N 1 1 292.492 3.776 20 30 CHEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582610468 329116393 /nfs/dbraw/zinc/11/63/93/329116393.db2.gz XRXDXZWPYSQNIL-INIZCTEOSA-N 1 1 292.492 3.776 20 30 CHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCC#N)o1 ZINC000174446870 329158799 /nfs/dbraw/zinc/15/87/99/329158799.db2.gz WVXKTSKEPNRWHB-ZFWWWQNUSA-N 1 1 260.381 3.919 20 30 CHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCC#N)o1 ZINC000174446846 329158805 /nfs/dbraw/zinc/15/88/05/329158805.db2.gz WVXKTSKEPNRWHB-HIFRSBDPSA-N 1 1 260.381 3.919 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000174693967 329160748 /nfs/dbraw/zinc/16/07/48/329160748.db2.gz MKAYKRWOQWLSGZ-UHFFFAOYSA-N 1 1 282.309 3.831 20 30 CHEDMO N#CCC[N@H+](Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000174693967 329160750 /nfs/dbraw/zinc/16/07/50/329160750.db2.gz MKAYKRWOQWLSGZ-UHFFFAOYSA-N 1 1 282.309 3.831 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000179787305 329212154 /nfs/dbraw/zinc/21/21/54/329212154.db2.gz ICCIPIUDYQWBKA-UHFFFAOYSA-N 1 1 282.318 3.580 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000179787305 329212155 /nfs/dbraw/zinc/21/21/55/329212155.db2.gz 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ZINC000421839090 330092707 /nfs/dbraw/zinc/09/27/07/330092707.db2.gz WMLFDVMWYNXUBT-GFCCVEGCSA-N 1 1 297.789 3.947 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274844458 330107966 /nfs/dbraw/zinc/10/79/66/330107966.db2.gz PEKQCHCOWRNPCE-SJORKVTESA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCC[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000276445454 330113603 /nfs/dbraw/zinc/11/36/03/330113603.db2.gz OXYWFWKSVUGFTN-UHFFFAOYSA-N 1 1 256.349 3.658 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2nc(C3CC3)no2)CCCC1(C)C ZINC000277668161 330116679 /nfs/dbraw/zinc/11/66/79/330116679.db2.gz FMHKDAIIHJJMRY-ZDUSSCGKSA-N 1 1 275.396 3.514 20 30 CHEDMO C=C1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000278403854 330116998 /nfs/dbraw/zinc/11/69/98/330116998.db2.gz GCMBRCUDLGFIDV-UHFFFAOYSA-N 1 1 260.362 3.555 20 30 CHEDMO C=C(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034652 330166465 /nfs/dbraw/zinc/16/64/65/330166465.db2.gz XVOQDJGUCWSKAJ-GBESFXJTSA-N 1 1 284.447 3.600 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000396778139 330225980 /nfs/dbraw/zinc/22/59/80/330225980.db2.gz KNAOSXMNQAETCV-HNNXBMFYSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000528774396 330283293 /nfs/dbraw/zinc/28/32/93/330283293.db2.gz VDJZAKCIXLOZTF-SNVBAGLBSA-N 1 1 284.737 3.831 20 30 CHEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000528774396 330283294 /nfs/dbraw/zinc/28/32/94/330283294.db2.gz VDJZAKCIXLOZTF-SNVBAGLBSA-N 1 1 284.737 3.831 20 30 CHEDMO C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945273 330294167 /nfs/dbraw/zinc/29/41/67/330294167.db2.gz FKKDVBUYOULOHV-KXBFYZLASA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945273 330294168 /nfs/dbraw/zinc/29/41/68/330294168.db2.gz FKKDVBUYOULOHV-KXBFYZLASA-N 1 1 297.446 3.616 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000532968720 330323519 /nfs/dbraw/zinc/32/35/19/330323519.db2.gz MROQXWVPIXGOHN-MRXNPFEDSA-N 1 1 282.472 3.699 20 30 CHEDMO C[C@H]([NH2+][C@@H]1C[C@]1(F)c1ccccc1)c1cccc(C#N)c1 ZINC000424328894 330341808 /nfs/dbraw/zinc/34/18/08/330341808.db2.gz RDQRLXRZROECEK-VHSSKADRSA-N 1 1 280.346 3.846 20 30 CHEDMO C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)c1cccc(C#N)c1 ZINC000424328890 330341861 /nfs/dbraw/zinc/34/18/61/330341861.db2.gz RDQRLXRZROECEK-DOPJRALCSA-N 1 1 280.346 3.846 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2cccnc21 ZINC000046529109 330353508 /nfs/dbraw/zinc/35/35/08/330353508.db2.gz GGPOGTNHZPTHKA-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000533288775 330356068 /nfs/dbraw/zinc/35/60/68/330356068.db2.gz ZWTXJUAQYJPXRN-MRXNPFEDSA-N 1 1 288.435 3.716 20 30 CHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC000533322770 330357465 /nfs/dbraw/zinc/35/74/65/330357465.db2.gz HQBATLHIHRXORG-WMLDXEAASA-N 1 1 259.368 3.688 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000084068359 330360343 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C=CCCCC[C@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453298003 331112669 /nfs/dbraw/zinc/11/26/69/331112669.db2.gz ZTLVOSAODBTXBQ-HOTGVXAUSA-N 1 1 294.483 3.735 20 30 CHEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000453369586 331124004 /nfs/dbraw/zinc/12/40/04/331124004.db2.gz VDQDTXCUEZQQDM-DYVFJYSZSA-N 1 1 294.402 3.503 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459461679 331282713 /nfs/dbraw/zinc/28/27/13/331282713.db2.gz LZSNLNGKBHGYDR-UHFFFAOYSA-N 1 1 275.421 3.590 20 30 CHEDMO C=CC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459502334 331285138 /nfs/dbraw/zinc/28/51/38/331285138.db2.gz OWGGCLBAJZQRIW-UHFFFAOYSA-N 1 1 296.418 3.678 20 30 CHEDMO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459665986 331293084 /nfs/dbraw/zinc/29/30/84/331293084.db2.gz BEZQLDKBZLWGSO-HZPDHXFCSA-N 1 1 297.427 3.783 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459688742 331294587 /nfs/dbraw/zinc/29/45/87/331294587.db2.gz YJMNBMGJWDHHPC-QZTJIDSGSA-N 1 1 280.371 3.919 20 30 CHEDMO CC#CCC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000462318931 331319287 /nfs/dbraw/zinc/31/92/87/331319287.db2.gz ZJOFOZUDPGRZRY-UHFFFAOYSA-N 1 1 256.176 3.839 20 30 CHEDMO C=CC[N@H+](CCC(C)(C)O)Cc1ccc(Cl)s1 ZINC000462309917 331319054 /nfs/dbraw/zinc/31/90/54/331319054.db2.gz DPQFIZWWMWBWIC-UHFFFAOYSA-N 1 1 273.829 3.551 20 30 CHEDMO CC#CCC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000462357741 331320317 /nfs/dbraw/zinc/32/03/17/331320317.db2.gz UEQLEWQGJRXZLQ-CQSZACIVSA-N 1 1 277.795 3.597 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000464579205 331363009 /nfs/dbraw/zinc/36/30/09/331363009.db2.gz RHOVFVBSZPZTDL-UHFFFAOYSA-N 1 1 292.423 3.805 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817611 331369546 /nfs/dbraw/zinc/36/95/46/331369546.db2.gz HGITVTYIEHAZFZ-IAGOWNOFSA-N 1 1 254.377 3.724 20 30 CHEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000464843737 331370815 /nfs/dbraw/zinc/37/08/15/331370815.db2.gz YZVKWFVXPLKMLD-KRWDZBQOSA-N 1 1 256.393 3.960 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000488442268 332009252 /nfs/dbraw/zinc/00/92/52/332009252.db2.gz TWJJKYQUTIJFAU-RDJZCZTQSA-N 1 1 254.377 3.631 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C1 ZINC000488472145 332012395 /nfs/dbraw/zinc/01/23/95/332012395.db2.gz XDGSBBJPGRNMEH-IAGOWNOFSA-N 1 1 288.460 3.973 20 30 CHEDMO Cc1cc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)ccc1C#N ZINC000489012242 332037578 /nfs/dbraw/zinc/03/75/78/332037578.db2.gz LCZITKGOZZYPAH-UHFFFAOYSA-N 1 1 298.430 3.790 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000489083654 332040969 /nfs/dbraw/zinc/04/09/69/332040969.db2.gz YIVWBHMTHIYWGC-CYBMUJFWSA-N 1 1 295.342 3.659 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000489410701 332050770 /nfs/dbraw/zinc/05/07/70/332050770.db2.gz ZGQBXPNRIOMAMW-HNNXBMFYSA-N 1 1 286.419 3.789 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000489410701 332050771 /nfs/dbraw/zinc/05/07/71/332050771.db2.gz ZGQBXPNRIOMAMW-HNNXBMFYSA-N 1 1 286.419 3.789 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC000489432625 332051764 /nfs/dbraw/zinc/05/17/64/332051764.db2.gz GNXLBCAORBUJKY-CYBMUJFWSA-N 1 1 265.784 3.889 20 30 CHEDMO C[C@H](C[N@@H+](C)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000489647747 332062876 /nfs/dbraw/zinc/06/28/76/332062876.db2.gz KDVCMAAQIDQPOD-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000489851309 332069997 /nfs/dbraw/zinc/06/99/97/332069997.db2.gz WJEYRCBAOJGCAX-KRWDZBQOSA-N 1 1 297.348 3.806 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1N(C)C ZINC000491399584 332204990 /nfs/dbraw/zinc/20/49/90/332204990.db2.gz XCLKBPWSUATBDQ-UHFFFAOYSA-N 1 1 284.403 3.576 20 30 CHEDMO Cc1ccoc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000491483119 332219161 /nfs/dbraw/zinc/21/91/61/332219161.db2.gz FUSMGPFRMZFGQB-UHFFFAOYSA-N 1 1 294.276 3.768 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(CC)nc1)c1ccc(Cl)cc1 ZINC000491784547 332347831 /nfs/dbraw/zinc/34/78/31/332347831.db2.gz QXSDNOJEFJMVGA-QGZVFWFLSA-N 1 1 284.790 3.762 20 30 CHEDMO C=CCC[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC000513102351 333004358 /nfs/dbraw/zinc/00/43/58/333004358.db2.gz YGEHXPNIJVRZQN-QINSGFPZSA-N 1 1 259.393 3.744 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000513472555 333021430 /nfs/dbraw/zinc/02/14/30/333021430.db2.gz HGLXCQAAKDBOER-QGZVFWFLSA-N 1 1 280.346 3.687 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000513701856 333033675 /nfs/dbraw/zinc/03/36/75/333033675.db2.gz APVZAUIXBKWBFV-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000513701856 333033677 /nfs/dbraw/zinc/03/36/77/333033677.db2.gz APVZAUIXBKWBFV-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO CC(C)c1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000513741577 333036930 /nfs/dbraw/zinc/03/69/30/333036930.db2.gz PJBNMPQTRWZDBW-UHFFFAOYSA-N 1 1 256.393 3.936 20 30 CHEDMO CC(C)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000513741577 333036931 /nfs/dbraw/zinc/03/69/31/333036931.db2.gz PJBNMPQTRWZDBW-UHFFFAOYSA-N 1 1 256.393 3.936 20 30 CHEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000310324250 333057280 /nfs/dbraw/zinc/05/72/80/333057280.db2.gz YHVKVYVFDGGAPH-LLVKDONJSA-N 1 1 295.224 3.799 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000311400364 333067934 /nfs/dbraw/zinc/06/79/34/333067934.db2.gz UOUPKXHLCHKTAY-UHFFFAOYSA-N 1 1 254.377 3.714 20 30 CHEDMO CC(C)c1[nH+]ccn1CC#Cc1ccc(Cl)cc1 ZINC000182824139 333117852 /nfs/dbraw/zinc/11/78/52/333117852.db2.gz OFXRFISBVNOHSF-UHFFFAOYSA-N 1 1 258.752 3.712 20 30 CHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000521860896 333194413 /nfs/dbraw/zinc/19/44/13/333194413.db2.gz XNEDEZQBEBRWCE-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO CC[N@H+](Cc1cc(C#N)ccc1Br)CC1CC1 ZINC000191789785 333225432 /nfs/dbraw/zinc/22/54/32/333225432.db2.gz LOLNINLLVYMTQK-UHFFFAOYSA-N 1 1 293.208 3.553 20 30 CHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000195134509 333246471 /nfs/dbraw/zinc/24/64/71/333246471.db2.gz HBHDSIMRLLQSOY-SFHVURJKSA-N 1 1 292.382 3.556 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCCCC1 ZINC000229748009 333309118 /nfs/dbraw/zinc/30/91/18/333309118.db2.gz CECZUGDFZYGTQB-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCSC(C)(C)C1 ZINC000232786644 333342829 /nfs/dbraw/zinc/34/28/29/333342829.db2.gz BMDMKQFYJHRFCQ-UHFFFAOYSA-N 1 1 254.443 3.534 20 30 CHEDMO C=C1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000524564109 333366595 /nfs/dbraw/zinc/36/65/95/333366595.db2.gz AHVLZIGUUOZAAR-UHFFFAOYSA-N 1 1 268.360 3.802 20 30 CHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)N1CCCCCC1 ZINC000236677944 333374544 /nfs/dbraw/zinc/37/45/44/333374544.db2.gz GYPZUMGEZFEZSB-IBGZPJMESA-N 1 1 299.462 3.548 20 30 CHEDMO CC(C)C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000524907142 333393383 /nfs/dbraw/zinc/39/33/83/333393383.db2.gz ZLDLSENJUWYJDE-UHFFFAOYSA-N 1 1 284.325 3.969 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000576028112 335142903 /nfs/dbraw/zinc/14/29/03/335142903.db2.gz ZHQNRLGIQGHFFQ-AWEZNQCLSA-N 1 1 288.782 3.657 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000576028112 335142904 /nfs/dbraw/zinc/14/29/04/335142904.db2.gz ZHQNRLGIQGHFFQ-AWEZNQCLSA-N 1 1 288.782 3.657 20 30 CHEDMO CC[N@H+](CCCCC(C)(C)C#N)CCN1CCCCCC1 ZINC000576333631 335190660 /nfs/dbraw/zinc/19/06/60/335190660.db2.gz LPRBDPZEHICVOZ-UHFFFAOYSA-N 1 1 293.499 3.904 20 30 CHEDMO CC[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCCC1 ZINC000576333631 335190662 /nfs/dbraw/zinc/19/06/62/335190662.db2.gz LPRBDPZEHICVOZ-UHFFFAOYSA-N 1 1 293.499 3.904 20 30 CHEDMO C=CCC[C@H](Nc1ccc2c(c1)[nH+]cn2C)C1CC1 ZINC000538637387 333610190 /nfs/dbraw/zinc/61/01/90/333610190.db2.gz YKLQIDMJDVHLAJ-AWEZNQCLSA-N 1 1 255.365 3.730 20 30 CHEDMO C=CC[N@@H+](CCCSCC#N)CC1CCCCC1 ZINC000074990755 334022104 /nfs/dbraw/zinc/02/21/04/334022104.db2.gz UXZWRISDHRBUEG-UHFFFAOYSA-N 1 1 266.454 3.702 20 30 CHEDMO CCC[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000133237652 334029346 /nfs/dbraw/zinc/02/93/46/334029346.db2.gz BXVZDCBUFZCLHL-UHFFFAOYSA-N 1 1 272.392 3.744 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CC1(C)C ZINC000546833371 334051608 /nfs/dbraw/zinc/05/16/08/334051608.db2.gz QBARSUGNIOVXDH-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000546829749 334051648 /nfs/dbraw/zinc/05/16/48/334051648.db2.gz GKBVKDUIJZLURU-KBPBESRZSA-N 1 1 256.393 3.987 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135096341 334115290 /nfs/dbraw/zinc/11/52/90/334115290.db2.gz WWYAVBRTVJKKLW-CQSZACIVSA-N 1 1 256.393 3.862 20 30 CHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000548075526 334138425 /nfs/dbraw/zinc/13/84/25/334138425.db2.gz RSLVVKWCGKPEPZ-SJORKVTESA-N 1 1 256.393 3.959 20 30 CHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CCC(C)(C)C#N ZINC000548496965 334160490 /nfs/dbraw/zinc/16/04/90/334160490.db2.gz YYCAUKAVFXCMCN-QWRGUYRKSA-N 1 1 262.319 3.589 20 30 CHEDMO COC1(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000549464354 334194794 /nfs/dbraw/zinc/19/47/94/334194794.db2.gz WYDFWGIGSQXVQU-MSOLQXFVSA-N 1 1 298.430 3.717 20 30 CHEDMO C=CCOCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000549748689 334203569 /nfs/dbraw/zinc/20/35/69/334203569.db2.gz KLXOHFJADSXPGO-UHFFFAOYSA-N 1 1 274.191 3.628 20 30 CHEDMO C=CCOCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000549748689 334203570 /nfs/dbraw/zinc/20/35/70/334203570.db2.gz KLXOHFJADSXPGO-UHFFFAOYSA-N 1 1 274.191 3.628 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000550210725 334215912 /nfs/dbraw/zinc/21/59/12/334215912.db2.gz NAOKVNXCSTWJBQ-AWEZNQCLSA-N 1 1 274.383 3.945 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCc2ccc(F)cc21 ZINC000245774793 334218788 /nfs/dbraw/zinc/21/87/88/334218788.db2.gz LFNYLEHTUSULFL-LRDDRELGSA-N 1 1 260.356 3.685 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCc2ccc(F)cc21 ZINC000245774793 334218790 /nfs/dbraw/zinc/21/87/90/334218790.db2.gz LFNYLEHTUSULFL-LRDDRELGSA-N 1 1 260.356 3.685 20 30 CHEDMO C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000245937861 334224771 /nfs/dbraw/zinc/22/47/71/334224771.db2.gz UIBRVKSNCGJYKU-JKSUJKDBSA-N 1 1 299.462 3.719 20 30 CHEDMO C[C@@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000245937861 334224773 /nfs/dbraw/zinc/22/47/73/334224773.db2.gz UIBRVKSNCGJYKU-JKSUJKDBSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[N@@H+](CCn1ccc2cc(Cl)ccc21)C[C@@H](C)C#N ZINC000564384385 334267512 /nfs/dbraw/zinc/26/75/12/334267512.db2.gz OLIZVHHURWWTCO-ZDUSSCGKSA-N 1 1 289.810 3.776 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nc2ccccc2[nH]1 ZINC000085301500 334285684 /nfs/dbraw/zinc/28/56/84/334285684.db2.gz NNLJYTDFSVMILF-MRXNPFEDSA-N 1 1 294.358 3.514 20 30 CHEDMO C=CCC[C@H](NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000552224215 334305302 /nfs/dbraw/zinc/30/53/02/334305302.db2.gz OBZBRNVVIPIJBG-ULQDDVLXSA-N 1 1 290.451 3.997 20 30 CHEDMO C=CCC[C@H](NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000552224215 334305303 /nfs/dbraw/zinc/30/53/03/334305303.db2.gz OBZBRNVVIPIJBG-ULQDDVLXSA-N 1 1 290.451 3.997 20 30 CHEDMO C=CCC[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000552254627 334309376 /nfs/dbraw/zinc/30/93/76/334309376.db2.gz NYOLELHYHALUAQ-JKSUJKDBSA-N 1 1 276.424 3.608 20 30 CHEDMO C=CCC[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000552254627 334309377 /nfs/dbraw/zinc/30/93/77/334309377.db2.gz NYOLELHYHALUAQ-JKSUJKDBSA-N 1 1 276.424 3.608 20 30 CHEDMO C[C@H](C[N@@H+](C)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000552316791 334316370 /nfs/dbraw/zinc/31/63/70/334316370.db2.gz MFSVVPKVPBDPIG-GFCCVEGCSA-N 1 1 264.800 3.925 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249775435 334340427 /nfs/dbraw/zinc/34/04/27/334340427.db2.gz KGLCGJMICRGHQZ-PVAVHDDUSA-N 1 1 256.393 3.731 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000158143444 334793845 /nfs/dbraw/zinc/79/38/45/334793845.db2.gz YTBFTGYHBHUYJA-UHFFFAOYSA-N 1 1 274.389 3.886 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000179680581 335507686 /nfs/dbraw/zinc/50/76/86/335507686.db2.gz YCCJGLFZQLXJHM-UHFFFAOYSA-N 1 1 284.309 3.615 20 30 CHEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(F)c1F ZINC000181961847 335792615 /nfs/dbraw/zinc/79/26/15/335792615.db2.gz YNBXZSYJLRJUMW-LBPRGKRZSA-N 1 1 289.300 3.806 20 30 CHEDMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000182451420 335820611 /nfs/dbraw/zinc/82/06/11/335820611.db2.gz UOAVZPHGZOFKAF-LBPRGKRZSA-N 1 1 285.416 3.909 20 30 CHEDMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C[C@@H](C#N)CCC#N ZINC000581483470 336087079 /nfs/dbraw/zinc/08/70/79/336087079.db2.gz OWLWAGLQVVAQCI-HIFRSBDPSA-N 1 1 285.391 3.635 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000581484855 336087412 /nfs/dbraw/zinc/08/74/12/336087412.db2.gz SIHKQBVHIBNUIC-AWEZNQCLSA-N 1 1 291.398 3.635 20 30 CHEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000383347255 336107349 /nfs/dbraw/zinc/10/73/49/336107349.db2.gz NBCLHTYDAVXRSC-LLVKDONJSA-N 1 1 295.224 3.797 20 30 CHEDMO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000356119345 533963240 /nfs/dbraw/zinc/96/32/40/533963240.db2.gz YXKXTGPDYLWXPN-XJKSGUPXSA-N 1 1 297.427 3.640 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000356119345 533963250 /nfs/dbraw/zinc/96/32/50/533963250.db2.gz YXKXTGPDYLWXPN-XJKSGUPXSA-N 1 1 297.427 3.640 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000336520886 534005079 /nfs/dbraw/zinc/00/50/79/534005079.db2.gz KQOVVBFLCGBSJU-RDTXWAMCSA-N 1 1 277.371 3.536 20 30 CHEDMO COc1c(C[NH2+]Cc2ccc(C#N)s2)oc2ccccc21 ZINC000353203723 521831570 /nfs/dbraw/zinc/83/15/70/521831570.db2.gz AWNBKHYYIOVBAZ-UHFFFAOYSA-N 1 1 298.367 3.664 20 30 CHEDMO CC[C@H](NC1CC[NH+](CC(C)C)CC1)c1ccc(C#N)cc1 ZINC000278173397 522564002 /nfs/dbraw/zinc/56/40/02/522564002.db2.gz CPYHQSJSWKFNKR-IBGZPJMESA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(C#N)cc1 ZINC000278188436 522669482 /nfs/dbraw/zinc/66/94/82/522669482.db2.gz FEIHAXSRPUUGNC-AWEZNQCLSA-N 1 1 271.389 3.564 20 30 CHEDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000280588952 523809189 /nfs/dbraw/zinc/80/91/89/523809189.db2.gz UEFMUFBPSBCYTC-PBHICJAKSA-N 1 1 272.392 3.510 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000055386687 524131059 /nfs/dbraw/zinc/13/10/59/524131059.db2.gz OIRYOENQDIIZPV-WBMJQRKESA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000265590765 526036394 /nfs/dbraw/zinc/03/63/94/526036394.db2.gz ZPWRXOOFCZUPPU-KXBFYZLASA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000265590765 526036404 /nfs/dbraw/zinc/03/64/04/526036404.db2.gz ZPWRXOOFCZUPPU-KXBFYZLASA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289690442 526044360 /nfs/dbraw/zinc/04/43/60/526044360.db2.gz VTVURTGQGPXIDK-ZTFGCOKTSA-N 1 1 296.414 3.653 20 30 CHEDMO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)s1 ZINC000129730574 526115648 /nfs/dbraw/zinc/11/56/48/526115648.db2.gz PPSFJPZKLJEDAE-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000129730574 526115652 /nfs/dbraw/zinc/11/56/52/526115652.db2.gz PPSFJPZKLJEDAE-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccc(C2CCC2)cc1 ZINC000353198801 526299909 /nfs/dbraw/zinc/29/99/09/526299909.db2.gz IAGUHEHNOHOMKY-UHFFFAOYSA-N 1 1 259.393 3.589 20 30 CHEDMO C=CC[N@@H+](CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000347389466 526307822 /nfs/dbraw/zinc/30/78/22/526307822.db2.gz FWYBVMNPEKVSOZ-KRWDZBQOSA-N 1 1 259.393 3.634 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2cc3ccccc3o2)CC1 ZINC000106245794 526602433 /nfs/dbraw/zinc/60/24/33/526602433.db2.gz NBCCSVKDDQORFD-UHFFFAOYSA-N 1 1 284.403 3.563 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1F ZINC000340895486 526705495 /nfs/dbraw/zinc/70/54/95/526705495.db2.gz IUSHVFMNKPTAFE-QGZVFWFLSA-N 1 1 280.346 3.514 20 30 CHEDMO C=CCOCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000347969301 526749374 /nfs/dbraw/zinc/74/93/74/526749374.db2.gz KXDKNSSYZXDWMN-UHFFFAOYSA-N 1 1 263.381 3.617 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000347963493 526752877 /nfs/dbraw/zinc/75/28/77/526752877.db2.gz CSTRHVVQFBCJON-OAHLLOKOSA-N 1 1 294.464 3.532 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000347967525 526754298 /nfs/dbraw/zinc/75/42/98/526754298.db2.gz OYJMCWWHGMSYDI-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000351978793 526870752 /nfs/dbraw/zinc/87/07/52/526870752.db2.gz ABOOIYCZVKNNOB-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000351978793 526870756 /nfs/dbraw/zinc/87/07/56/526870756.db2.gz ABOOIYCZVKNNOB-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000351914885 526897240 /nfs/dbraw/zinc/89/72/40/526897240.db2.gz GKBPIDDLYBLFND-UHFFFAOYSA-N 1 1 257.377 3.627 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000353841642 526899504 /nfs/dbraw/zinc/89/95/04/526899504.db2.gz FGJCYWXBZKFHRT-UONOGXRCSA-N 1 1 277.433 3.577 20 30 CHEDMO C=CCCC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000353740413 527192537 /nfs/dbraw/zinc/19/25/37/527192537.db2.gz PGWCTCHELYRGSQ-UHFFFAOYSA-N 1 1 277.799 3.625 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCCOCc1ccccc1 ZINC000347431121 527681065 /nfs/dbraw/zinc/68/10/65/527681065.db2.gz DHSKOTBULAOGQT-UHFFFAOYSA-N 1 1 288.435 3.855 20 30 CHEDMO CC(C)C[N@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000350665719 527955756 /nfs/dbraw/zinc/95/57/56/527955756.db2.gz YWIFULSHNAGAIV-UHFFFAOYSA-N 1 1 285.416 3.673 20 30 CHEDMO CC(C)C[N@@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000350665719 527955761 /nfs/dbraw/zinc/95/57/61/527955761.db2.gz YWIFULSHNAGAIV-UHFFFAOYSA-N 1 1 285.416 3.673 20 30 CHEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000353481926 527998261 /nfs/dbraw/zinc/99/82/61/527998261.db2.gz LDWHVRWTRMSEOE-YJBOKZPZSA-N 1 1 287.451 3.719 20 30 CHEDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353481926 527998270 /nfs/dbraw/zinc/99/82/70/527998270.db2.gz LDWHVRWTRMSEOE-YJBOKZPZSA-N 1 1 287.451 3.719 20 30 CHEDMO CC[N@@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000344473200 528374172 /nfs/dbraw/zinc/37/41/72/528374172.db2.gz DBEPVBFLNAVGFF-UHFFFAOYSA-N 1 1 262.319 3.591 20 30 CHEDMO CCOc1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000353404261 528644237 /nfs/dbraw/zinc/64/42/37/528644237.db2.gz OCTZMEAODNFJNG-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CCOc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000353404261 528644239 /nfs/dbraw/zinc/64/42/39/528644239.db2.gz OCTZMEAODNFJNG-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000335974276 528841863 /nfs/dbraw/zinc/84/18/63/528841863.db2.gz XOIVOUDPATVANO-UHFFFAOYSA-N 1 1 299.349 3.606 20 30 CHEDMO CC(C)[N@@H+](CC[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000347392966 528913121 /nfs/dbraw/zinc/91/31/21/528913121.db2.gz LQJPUEHKOUKIRH-SFHVURJKSA-N 1 1 286.419 3.728 20 30 CHEDMO N#CCC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000046437885 1125466874 /nfs/dbraw/zinc/46/68/74/1125466874.db2.gz KHCNRIAIBUOICB-UHFFFAOYSA-N 1 1 264.372 3.645 20 30 CHEDMO N#CCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000046437885 1125466877 /nfs/dbraw/zinc/46/68/77/1125466877.db2.gz KHCNRIAIBUOICB-UHFFFAOYSA-N 1 1 264.372 3.645 20 30 CHEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccccc1C#N)CCC2 ZINC000111311863 1125482433 /nfs/dbraw/zinc/48/24/33/1125482433.db2.gz MSKTZMUELWAZMN-MRXNPFEDSA-N 1 1 297.427 3.833 20 30 CHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccccc1C#N)CCC2 ZINC000111311863 1125482436 /nfs/dbraw/zinc/48/24/36/1125482436.db2.gz MSKTZMUELWAZMN-MRXNPFEDSA-N 1 1 297.427 3.833 20 30 CHEDMO C#CC[N@H+](CC[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC001167273657 1118137262 /nfs/dbraw/zinc/13/72/62/1118137262.db2.gz OGPZKUIJZGZYAI-LBPRGKRZSA-N 1 1 274.235 3.838 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000891402714 1118596647 /nfs/dbraw/zinc/59/66/47/1118596647.db2.gz VZWQSIMNSDYGOG-HNNXBMFYSA-N 1 1 254.358 3.567 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000891402714 1118596650 /nfs/dbraw/zinc/59/66/50/1118596650.db2.gz VZWQSIMNSDYGOG-HNNXBMFYSA-N 1 1 254.358 3.567 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000510767840 1118813385 /nfs/dbraw/zinc/81/33/85/1118813385.db2.gz XCLFWGATPUMNGK-UHFFFAOYSA-N 1 1 251.320 3.895 20 30 CHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)CC ZINC000068450485 1120013551 /nfs/dbraw/zinc/01/35/51/1120013551.db2.gz MBNZKJKRQQWNJU-ZDUSSCGKSA-N 1 1 292.448 3.634 20 30 CHEDMO CC(C)[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCCO1 ZINC000930590872 1120295934 /nfs/dbraw/zinc/29/59/34/1120295934.db2.gz SZAVZBCYOVFGSH-INIZCTEOSA-N 1 1 278.440 3.597 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Cl)c(F)c1 ZINC000020045608 1120580745 /nfs/dbraw/zinc/58/07/45/1120580745.db2.gz GHKAXYPIZQMNKX-UHFFFAOYSA-N 1 1 274.726 3.641 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC001176871033 1121699152 /nfs/dbraw/zinc/69/91/52/1121699152.db2.gz HOQSOAXIXXTWEY-MRXNPFEDSA-N 1 1 260.381 3.583 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000733614752 1122001158 /nfs/dbraw/zinc/00/11/58/1122001158.db2.gz ZAAGFYRHAOFRFW-OAHLLOKOSA-N 1 1 294.236 3.949 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000733614752 1122001166 /nfs/dbraw/zinc/00/11/66/1122001166.db2.gz ZAAGFYRHAOFRFW-OAHLLOKOSA-N 1 1 294.236 3.949 20 30 CHEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC001167957537 1122432680 /nfs/dbraw/zinc/43/26/80/1122432680.db2.gz BMFINSWSFHYZOS-HUUCEWRRSA-N 1 1 280.456 3.842 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC[C@H]1COC(=O)NCC ZINC001194269965 1122763836 /nfs/dbraw/zinc/76/38/36/1122763836.db2.gz UCZIOHOUNASHQC-INIZCTEOSA-N 1 1 298.471 3.948 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000519908278 1123036916 /nfs/dbraw/zinc/03/69/16/1123036916.db2.gz PZVSLLQHRVTZJJ-UHFFFAOYSA-N 1 1 286.188 3.985 20 30 CHEDMO C=C(C)C[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000441449209 1123128104 /nfs/dbraw/zinc/12/81/04/1123128104.db2.gz OSNISKTUKHCBLW-UYSNPLJNSA-N 1 1 251.414 3.622 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@](C)(CO)CC1 ZINC001201804156 1123150505 /nfs/dbraw/zinc/15/05/05/1123150505.db2.gz DOJFMYMSRDCISQ-INIZCTEOSA-N 1 1 255.446 3.831 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001201840391 1123154711 /nfs/dbraw/zinc/15/47/11/1123154711.db2.gz ZKDOLRFGIVZIMN-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCCN1CC[N@@H+](C)CC12CCCC2 ZINC001201839858 1123155139 /nfs/dbraw/zinc/15/51/39/1123155139.db2.gz LIWDQNKMIBAAJY-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000059422211 1123309024 /nfs/dbraw/zinc/30/90/24/1123309024.db2.gz QHXGWGWMKPXROT-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443638684 1123455260 /nfs/dbraw/zinc/45/52/60/1123455260.db2.gz DZXHKWAJYWAAQC-ZDUSSCGKSA-N 1 1 265.784 3.759 20 30 CHEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCCC(C)(C)C#N ZINC000444780559 1124059512 /nfs/dbraw/zinc/05/95/12/1124059512.db2.gz NETBQOXDJTYXRW-QGZVFWFLSA-N 1 1 294.439 3.514 20 30 CHEDMO CC1(F)CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000879380988 1125211614 /nfs/dbraw/zinc/21/16/14/1125211614.db2.gz HFSLRWMZRFPAHV-UHFFFAOYSA-N 1 1 296.773 3.566 20 30 CHEDMO CCC(CC)[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000532345722 1125250342 /nfs/dbraw/zinc/25/03/42/1125250342.db2.gz RHVVYWTXTRVSRW-UHFFFAOYSA-N 1 1 260.356 3.850 20 30 CHEDMO C=CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532625603 1125429652 /nfs/dbraw/zinc/42/96/52/1125429652.db2.gz KKKUFUKWDZINAE-LBPRGKRZSA-N 1 1 258.390 3.662 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139691023 1131629187 /nfs/dbraw/zinc/62/91/87/1131629187.db2.gz PGLLKMSMIPWLKC-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692205 1131630534 /nfs/dbraw/zinc/63/05/34/1131630534.db2.gz QWYPYCQEQVFYEH-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692205 1131630536 /nfs/dbraw/zinc/63/05/36/1131630536.db2.gz QWYPYCQEQVFYEH-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccccc1C(F)F ZINC001139799639 1131638103 /nfs/dbraw/zinc/63/81/03/1131638103.db2.gz VHQPGZCAFJNROJ-UHFFFAOYSA-N 1 1 252.308 3.750 20 30 CHEDMO CCC(CC)[N@@H+](CC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171222401 1131708264 /nfs/dbraw/zinc/70/82/64/1131708264.db2.gz HBYCTQPELFPVBB-CQSZACIVSA-N 1 1 258.409 4.000 20 30 CHEDMO C=CCOCCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000348193710 1131895126 /nfs/dbraw/zinc/89/51/26/1131895126.db2.gz NXIXXCXMXSVXOT-UHFFFAOYSA-N 1 1 271.763 3.504 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)[C@@H](C)C1 ZINC001140809992 1131932566 /nfs/dbraw/zinc/93/25/66/1131932566.db2.gz PVZIQYHMKWQNGF-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1Cl ZINC001141114053 1132021151 /nfs/dbraw/zinc/02/11/51/1132021151.db2.gz BYICMCJOYXSFGA-MWLCHTKSSA-N 1 1 295.839 3.620 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001172507151 1132255833 /nfs/dbraw/zinc/25/58/33/1132255833.db2.gz QDEGMTZGVUOKBS-KGLIPLIRSA-N 1 1 260.356 3.697 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001172508473 1132256396 /nfs/dbraw/zinc/25/63/96/1132256396.db2.gz KOOCRDBRFALCLP-RCCFBDPRSA-N 1 1 299.499 3.581 20 30 CHEDMO C=CCOC1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC001173319516 1132477095 /nfs/dbraw/zinc/47/70/95/1132477095.db2.gz KZVILQQBIARABZ-UHFFFAOYSA-N 1 1 251.414 3.765 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(O)cc(Br)c1 ZINC001232998766 1132560414 /nfs/dbraw/zinc/56/04/14/1132560414.db2.gz GZENJSCKSWOLOB-UHFFFAOYSA-N 1 1 284.197 3.553 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC(C)C)cc1 ZINC001204456537 1133450350 /nfs/dbraw/zinc/45/03/50/1133450350.db2.gz TURAZLIXFWUEHV-UHFFFAOYSA-N 1 1 260.381 3.599 20 30 CHEDMO Fc1ccc(C[NH+]2CCC(S)CC2)cc1C(F)(F)F ZINC001204490565 1133453199 /nfs/dbraw/zinc/45/31/99/1133453199.db2.gz VYNZBLMJZBZVNO-UHFFFAOYSA-N 1 1 293.329 3.739 20 30 CHEDMO N#CC1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001204857093 1133492722 /nfs/dbraw/zinc/49/27/22/1133492722.db2.gz SMUVRZHDSHINIU-UHFFFAOYSA-N 1 1 286.272 3.580 20 30 CHEDMO C=CCCC[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001209161727 1133981699 /nfs/dbraw/zinc/98/16/99/1133981699.db2.gz CCGTVIATRVKLLQ-QGZVFWFLSA-N 1 1 259.393 3.509 20 30 CHEDMO C=CCCCCCCC[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001209443663 1134021701 /nfs/dbraw/zinc/02/17/01/1134021701.db2.gz ZAMFTCSZRFCWTI-HZPDHXFCSA-N 1 1 263.425 3.814 20 30 CHEDMO C=CCCCCCCC[N@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001209443362 1134022642 /nfs/dbraw/zinc/02/26/42/1134022642.db2.gz RJIXNJGEEJNBEN-OWCLPIDISA-N 1 1 279.424 3.539 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001209443197 1134023293 /nfs/dbraw/zinc/02/32/93/1134023293.db2.gz OTZJJAXOFAVGCW-SJORKVTESA-N 1 1 265.441 3.871 20 30 CHEDMO N#Cc1cccc(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000116373967 1125508497 /nfs/dbraw/zinc/50/84/97/1125508497.db2.gz SPNWFHHOLVVOPR-UHFFFAOYSA-N 1 1 283.400 3.574 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134028049 1125520851 /nfs/dbraw/zinc/52/08/51/1125520851.db2.gz KDOAAGUEWYFVFD-HUUCEWRRSA-N 1 1 296.455 3.578 20 30 CHEDMO CC(C)CC[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000135321591 1125524178 /nfs/dbraw/zinc/52/41/78/1125524178.db2.gz WBMSUCQNRHJVHY-AWEZNQCLSA-N 1 1 254.443 3.534 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000134792267 1125567819 /nfs/dbraw/zinc/56/78/19/1125567819.db2.gz YRBXGJSGVAVIJK-UHFFFAOYSA-N 1 1 265.715 3.928 20 30 CHEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135122765 1125578521 /nfs/dbraw/zinc/57/85/21/1125578521.db2.gz KGEMPZIDBAXCFY-UHFFFAOYSA-N 1 1 297.402 3.725 20 30 CHEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135122765 1125578524 /nfs/dbraw/zinc/57/85/24/1125578524.db2.gz KGEMPZIDBAXCFY-UHFFFAOYSA-N 1 1 297.402 3.725 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1cc2cc(F)ccc2o1 ZINC000536638903 1125579338 /nfs/dbraw/zinc/57/93/38/1125579338.db2.gz MTJMDYRMVLPORR-UHFFFAOYSA-N 1 1 260.312 3.696 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1cc2cc(F)ccc2o1 ZINC000536638903 1125579342 /nfs/dbraw/zinc/57/93/42/1125579342.db2.gz MTJMDYRMVLPORR-UHFFFAOYSA-N 1 1 260.312 3.696 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2ccccc21)C1CC1 ZINC000532817946 1125584125 /nfs/dbraw/zinc/58/41/25/1125584125.db2.gz OEWRAMNAUWUSKH-CQSZACIVSA-N 1 1 264.372 3.964 20 30 CHEDMO C=C(CC)C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000358514364 1125585722 /nfs/dbraw/zinc/58/57/22/1125585722.db2.gz WJJQEQRRXZZHNG-UHFFFAOYSA-N 1 1 295.448 3.824 20 30 CHEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000533387665 1125604533 /nfs/dbraw/zinc/60/45/33/1125604533.db2.gz KMMYRFXNJQXLMR-KRWDZBQOSA-N 1 1 296.418 3.794 20 30 CHEDMO C=C(C)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533524829 1125611610 /nfs/dbraw/zinc/61/16/10/1125611610.db2.gz YSOJIKVQQXIGGQ-INIZCTEOSA-N 1 1 269.392 3.676 20 30 CHEDMO CN(C)c1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000075765348 1125656192 /nfs/dbraw/zinc/65/61/92/1125656192.db2.gz PVDLGZBJVFPVBE-UHFFFAOYSA-N 1 1 273.424 3.514 20 30 CHEDMO CN(C)c1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000075765348 1125656194 /nfs/dbraw/zinc/65/61/94/1125656194.db2.gz PVDLGZBJVFPVBE-UHFFFAOYSA-N 1 1 273.424 3.514 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000886355180 1125673134 /nfs/dbraw/zinc/67/31/34/1125673134.db2.gz DNXKJAHUSJUGKP-ZDUSSCGKSA-N 1 1 286.400 3.557 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000076513485 1125680391 /nfs/dbraw/zinc/68/03/91/1125680391.db2.gz NXZKTAIHEXBMCS-KRWDZBQOSA-N 1 1 299.393 3.524 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000886540275 1125687089 /nfs/dbraw/zinc/68/70/89/1125687089.db2.gz BTBRHKSDTQXDPK-MLGOLLRUSA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000886540275 1125687093 /nfs/dbraw/zinc/68/70/93/1125687093.db2.gz BTBRHKSDTQXDPK-MLGOLLRUSA-N 1 1 283.400 3.598 20 30 CHEDMO C#CC[N@@H+](Cc1scnc1C)[C@@H]1CCc2ccccc21 ZINC000179204518 1125695941 /nfs/dbraw/zinc/69/59/41/1125695941.db2.gz UPKJBXDRMBPOPE-MRXNPFEDSA-N 1 1 282.412 3.574 20 30 CHEDMO C#CC[N@H+](Cc1scnc1C)[C@@H]1CCc2ccccc21 ZINC000179204518 1125695942 /nfs/dbraw/zinc/69/59/42/1125695942.db2.gz UPKJBXDRMBPOPE-MRXNPFEDSA-N 1 1 282.412 3.574 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000614963532 1125700558 /nfs/dbraw/zinc/70/05/58/1125700558.db2.gz HKQXARRCGPGTRU-MAUKXSAKSA-N 1 1 291.398 3.579 20 30 CHEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cncc(F)c1 ZINC000090664664 1125744282 /nfs/dbraw/zinc/74/42/82/1125744282.db2.gz XBBPJIYIPVSUAJ-DYVFJYSZSA-N 1 1 283.350 3.916 20 30 CHEDMO COCCCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092507056 1125758653 /nfs/dbraw/zinc/75/86/53/1125758653.db2.gz ROEGIZYOHQVGPS-UHFFFAOYSA-N 1 1 298.386 3.580 20 30 CHEDMO COCc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101160 1125763962 /nfs/dbraw/zinc/76/39/62/1125763962.db2.gz SYAQHJYWUVIXTA-UHFFFAOYSA-N 1 1 274.408 3.595 20 30 CHEDMO COCc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101160 1125763965 /nfs/dbraw/zinc/76/39/65/1125763965.db2.gz SYAQHJYWUVIXTA-UHFFFAOYSA-N 1 1 274.408 3.595 20 30 CHEDMO CCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1OCC ZINC000536645273 1125768076 /nfs/dbraw/zinc/76/80/76/1125768076.db2.gz HLNPTDWUCQZGHQ-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OCC ZINC000536645273 1125768085 /nfs/dbraw/zinc/76/80/85/1125768085.db2.gz HLNPTDWUCQZGHQ-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccccc1C#N ZINC000508708114 1125777950 /nfs/dbraw/zinc/77/79/50/1125777950.db2.gz YXXUGDQFNHJMHM-UHFFFAOYSA-N 1 1 270.401 3.684 20 30 CHEDMO C#CCCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000766896405 1129769276 /nfs/dbraw/zinc/76/92/76/1129769276.db2.gz NXRXGBADKPFREF-UHFFFAOYSA-N 1 1 292.220 3.827 20 30 CHEDMO CC(C)c1ccc[nH+]c1NCc1csc(C#N)c1 ZINC000902066128 1129976841 /nfs/dbraw/zinc/97/68/41/1129976841.db2.gz NKEHJUPWBMCQQX-UHFFFAOYSA-N 1 1 257.362 3.750 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C1CC1 ZINC000785980374 1130070675 /nfs/dbraw/zinc/07/06/75/1130070675.db2.gz XSGRIYCSOUVFTN-UHFFFAOYSA-N 1 1 267.294 3.611 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccncc1F ZINC000338019033 1126711733 /nfs/dbraw/zinc/71/17/33/1126711733.db2.gz PEZZXEZCMKJBAE-GHMZBOCLSA-N 1 1 287.313 3.643 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000481749091 1126712149 /nfs/dbraw/zinc/71/21/49/1126712149.db2.gz VZUPMCRXYPEDNQ-RISCZKNCSA-N 1 1 282.309 3.721 20 30 CHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000600616506 1126723396 /nfs/dbraw/zinc/72/33/96/1126723396.db2.gz XXWKURKLPYPNDN-MLGOLLRUSA-N 1 1 287.794 3.751 20 30 CHEDMO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccc(C#N)cc1 ZINC000338349651 1126736702 /nfs/dbraw/zinc/73/67/02/1126736702.db2.gz PCVHNMIWPIWPAX-LBPRGKRZSA-N 1 1 277.327 3.550 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000150896772 1126747694 /nfs/dbraw/zinc/74/76/94/1126747694.db2.gz YMWYNKMMODPVBW-UHFFFAOYSA-N 1 1 288.435 3.567 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000174812394 1126773837 /nfs/dbraw/zinc/77/38/37/1126773837.db2.gz ATTJQZXVYXALPO-UHFFFAOYSA-N 1 1 296.418 3.634 20 30 CHEDMO Cc1c(C)c(C)c(C[N@@H+](C)C[C@H](C)C#N)c(C)c1C ZINC000483262756 1126776550 /nfs/dbraw/zinc/77/65/50/1126776550.db2.gz RLEWDJURCFQCHX-LLVKDONJSA-N 1 1 258.409 3.820 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+](C)C[C@H](C)C#N)c(C)c1C ZINC000483262756 1126776553 /nfs/dbraw/zinc/77/65/53/1126776553.db2.gz RLEWDJURCFQCHX-LLVKDONJSA-N 1 1 258.409 3.820 20 30 CHEDMO Clc1ccccc1C#CC[N@@H+](CC1CC1)C1CCC1 ZINC000483310764 1126780659 /nfs/dbraw/zinc/78/06/59/1126780659.db2.gz WTUKBBGPJINOGR-UHFFFAOYSA-N 1 1 273.807 3.956 20 30 CHEDMO C[N@H+](CCOc1ccccc1C(C)(C)C)CC1(C#N)CC1 ZINC000483329595 1126782555 /nfs/dbraw/zinc/78/25/55/1126782555.db2.gz FWZILQRIJTYEMA-UHFFFAOYSA-N 1 1 286.419 3.598 20 30 CHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)CC1(C#N)CC1 ZINC000483329595 1126782560 /nfs/dbraw/zinc/78/25/60/1126782560.db2.gz FWZILQRIJTYEMA-UHFFFAOYSA-N 1 1 286.419 3.598 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2ccccc2F)o1 ZINC000483425496 1126786439 /nfs/dbraw/zinc/78/64/39/1126786439.db2.gz ZSRYUQVDJZSTOZ-UHFFFAOYSA-N 1 1 289.350 3.720 20 30 CHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483520975 1126792024 /nfs/dbraw/zinc/79/20/24/1126792024.db2.gz XADOLBLJLQNEGL-OAHLLOKOSA-N 1 1 267.347 3.870 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000483661285 1126795919 /nfs/dbraw/zinc/79/59/19/1126795919.db2.gz NKZBIUYISRVTQF-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000483661285 1126795924 /nfs/dbraw/zinc/79/59/24/1126795924.db2.gz NKZBIUYISRVTQF-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000483737087 1126799311 /nfs/dbraw/zinc/79/93/11/1126799311.db2.gz ZOARNOCQZDUCEJ-KURKYZTESA-N 1 1 268.404 3.948 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)C1 ZINC000483726199 1126799372 /nfs/dbraw/zinc/79/93/72/1126799372.db2.gz MGOJWVBOCQKQEE-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483935128 1126805468 /nfs/dbraw/zinc/80/54/68/1126805468.db2.gz ZVJCJEZXKKZJSA-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483935128 1126805470 /nfs/dbraw/zinc/80/54/70/1126805470.db2.gz ZVJCJEZXKKZJSA-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC#Cc1ccccc1 ZINC000483960001 1126805544 /nfs/dbraw/zinc/80/55/44/1126805544.db2.gz KURHVWJARHSTOF-BPQIPLTHSA-N 1 1 253.389 3.691 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC23CCCCC3)cc1F ZINC000484083501 1126809885 /nfs/dbraw/zinc/80/98/85/1126809885.db2.gz OBUZELIOTFZJPH-UHFFFAOYSA-N 1 1 272.367 3.996 20 30 CHEDMO C=CCCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000484326914 1126815221 /nfs/dbraw/zinc/81/52/21/1126815221.db2.gz TXPYOJBMASVINM-UHFFFAOYSA-N 1 1 251.320 3.895 20 30 CHEDMO C=CCCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000484326914 1126815223 /nfs/dbraw/zinc/81/52/23/1126815223.db2.gz TXPYOJBMASVINM-UHFFFAOYSA-N 1 1 251.320 3.895 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCCCO1 ZINC000484538148 1126826428 /nfs/dbraw/zinc/82/64/28/1126826428.db2.gz ASKWMJAGIGYVBG-INIZCTEOSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CC[N@H+](Cc1cn2ccccc2n1)CC1CCCCC1 ZINC000484625058 1126837372 /nfs/dbraw/zinc/83/73/72/1126837372.db2.gz XUJPRTUGKGUXFX-UHFFFAOYSA-N 1 1 283.419 3.903 20 30 CHEDMO C[N@@H+](CCc1ccncc1)Cc1ccccc1C(C)(C)C#N ZINC000181481197 1126855851 /nfs/dbraw/zinc/85/58/51/1126855851.db2.gz ZEBBJKUOAWEJJU-UHFFFAOYSA-N 1 1 293.414 3.557 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2F)no1 ZINC000904682110 1126865478 /nfs/dbraw/zinc/86/54/78/1126865478.db2.gz ITVGXESGCNFIFF-CYBMUJFWSA-N 1 1 275.327 3.540 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2occc2C(C)C)no1 ZINC000904723233 1126866569 /nfs/dbraw/zinc/86/65/69/1126866569.db2.gz BDUBVUAZTVLIJF-GFCCVEGCSA-N 1 1 275.352 3.809 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(C(C)(C)c2ccccc2)no1 ZINC000904691064 1126867100 /nfs/dbraw/zinc/86/71/00/1126867100.db2.gz VRLCFGQVRQIAFY-AWEZNQCLSA-N 1 1 285.391 3.752 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000904613990 1126862744 /nfs/dbraw/zinc/86/27/44/1126862744.db2.gz BYUQZSDUGDRRNP-HZPDHXFCSA-N 1 1 297.402 3.698 20 30 CHEDMO C=CC[N@H+](CCCOC(C)C)CC1CCCCC1 ZINC000484990728 1126870416 /nfs/dbraw/zinc/87/04/16/1126870416.db2.gz AFNVMHYIPVGSJE-UHFFFAOYSA-N 1 1 253.430 3.870 20 30 CHEDMO CC(C)Oc1ccc(C[NH+]2CCC(C#N)CC2)cc1Cl ZINC000187789248 1126914472 /nfs/dbraw/zinc/91/44/72/1126914472.db2.gz ZVJCQCJTHPLXBI-UHFFFAOYSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(COC)cs2)C1 ZINC000668494366 1126917578 /nfs/dbraw/zinc/91/75/78/1126917578.db2.gz YCAPXBNEDGNCNI-ZDUSSCGKSA-N 1 1 265.422 3.683 20 30 CHEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000485726130 1126946195 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ZINC000267342496 1126997984 /nfs/dbraw/zinc/99/79/84/1126997984.db2.gz DXKWRVFAAZGGPA-KRWDZBQOSA-N 1 1 284.790 3.857 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000486789745 1127002669 /nfs/dbraw/zinc/00/26/69/1127002669.db2.gz UQMZQWKCHJAKLD-KRWDZBQOSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000486789745 1127002671 /nfs/dbraw/zinc/00/26/71/1127002671.db2.gz UQMZQWKCHJAKLD-KRWDZBQOSA-N 1 1 277.383 3.945 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000486804290 1127004847 /nfs/dbraw/zinc/00/48/47/1127004847.db2.gz UZXBONQIGSWQAC-LJQANCHMSA-N 1 1 276.383 3.986 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)CCc1cc(Cl)ccc1Cl ZINC000487899106 1127046489 /nfs/dbraw/zinc/04/64/89/1127046489.db2.gz QAAJQDNLENCGFI-SNVBAGLBSA-N 1 1 271.191 3.627 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000487899106 1127046491 /nfs/dbraw/zinc/04/64/91/1127046491.db2.gz QAAJQDNLENCGFI-SNVBAGLBSA-N 1 1 271.191 3.627 20 30 CHEDMO Cc1[nH+]ccn1CCCSc1ccc(C#N)cc1Cl ZINC000269921793 1127048531 /nfs/dbraw/zinc/04/85/31/1127048531.db2.gz AQIJZGUQVKFEAD-UHFFFAOYSA-N 1 1 291.807 3.899 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000488078568 1127054987 /nfs/dbraw/zinc/05/49/87/1127054987.db2.gz JDGVZNIXHXSKQG-INIZCTEOSA-N 1 1 251.414 3.624 20 30 CHEDMO Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)ccc1C#N ZINC000488231086 1127063383 /nfs/dbraw/zinc/06/33/83/1127063383.db2.gz LWPHWENFIDHOTE-IAGOWNOFSA-N 1 1 286.444 3.727 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)s1 ZINC000271049198 1127066119 /nfs/dbraw/zinc/06/61/19/1127066119.db2.gz UABYRXQFLTTXDA-JTQLQIEISA-N 1 1 274.414 3.801 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000271049198 1127066120 /nfs/dbraw/zinc/06/61/20/1127066120.db2.gz UABYRXQFLTTXDA-JTQLQIEISA-N 1 1 274.414 3.801 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1cccs1 ZINC000271050752 1127066866 /nfs/dbraw/zinc/06/68/66/1127066866.db2.gz AAGKTASTZCONPH-UHFFFAOYSA-N 1 1 260.362 3.623 20 30 CHEDMO CC[N@@H+](Cc1ccc(COC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271098757 1127068233 /nfs/dbraw/zinc/06/82/33/1127068233.db2.gz OHWLURLRKMCGGY-AWEZNQCLSA-N 1 1 298.386 3.881 20 30 CHEDMO C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)Cc1ccc(C#N)cc1 ZINC000488294823 1127069991 /nfs/dbraw/zinc/06/99/91/1127069991.db2.gz KYPQDGJNPXMYIJ-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO C=C(C[NH2+][C@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000924841030 1127083596 /nfs/dbraw/zinc/08/35/96/1127083596.db2.gz IHZYZERMUITUMR-HNNXBMFYSA-N 1 1 268.360 3.663 20 30 CHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H]1CC[C@H](C#N)C1 ZINC000339113673 1127113330 /nfs/dbraw/zinc/11/33/30/1127113330.db2.gz IIAOFOMTMFKAMR-DZGCQCFKSA-N 1 1 267.376 3.682 20 30 CHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000339130421 1127114513 /nfs/dbraw/zinc/11/45/13/1127114513.db2.gz VELKGJHEROERJC-MRXNPFEDSA-N 1 1 292.810 3.797 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000348927287 1127135028 /nfs/dbraw/zinc/13/50/28/1127135028.db2.gz ZVJRPUOMOZFTIR-HNNXBMFYSA-N 1 1 257.381 3.548 20 30 CHEDMO Cc1[nH+]ccn1CCCNc1cccc(C(F)F)c1C#N ZINC000571734303 1127167115 /nfs/dbraw/zinc/16/71/15/1127167115.db2.gz ZXUWQRCNXYMIJS-UHFFFAOYSA-N 1 1 290.317 3.503 20 30 CHEDMO C=CCO[C@@H]1CC[N@@H+](Cc2csc(CCC(C)C)n2)C1 ZINC001320898798 1127167670 /nfs/dbraw/zinc/16/76/70/1127167670.db2.gz NJHDEEXUIIXZFW-OAHLLOKOSA-N 1 1 294.464 3.509 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+](Cc2csc(CCC(C)C)n2)C1 ZINC001320898798 1127167672 /nfs/dbraw/zinc/16/76/72/1127167672.db2.gz NJHDEEXUIIXZFW-OAHLLOKOSA-N 1 1 294.464 3.509 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c(O)c(OC)c1 ZINC000164473791 1127167850 /nfs/dbraw/zinc/16/78/50/1127167850.db2.gz OJDKXCRKCNRDCN-ZDUSSCGKSA-N 1 1 289.419 3.750 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)C(C)C)ccc1Cl ZINC000543744144 1127177593 /nfs/dbraw/zinc/17/75/93/1127177593.db2.gz DGJYSPBYHQITQO-UHFFFAOYSA-N 1 1 250.773 3.773 20 30 CHEDMO Cc1cc(C[N@H+](CCC#N)C(C)C)ccc1Cl ZINC000543744144 1127177595 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N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588978058 1127209169 /nfs/dbraw/zinc/20/91/69/1127209169.db2.gz PVUZDBVIAVIBFQ-CYBMUJFWSA-N 1 1 274.795 3.834 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1N(C)C ZINC000588978545 1127209268 /nfs/dbraw/zinc/20/92/68/1127209268.db2.gz OLYAJUUNMFEMEN-UHFFFAOYSA-N 1 1 293.414 3.565 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752998 1131139456 /nfs/dbraw/zinc/13/94/56/1131139456.db2.gz HMHJSAYRMRBKTN-HNNXBMFYSA-N 1 1 262.784 3.832 20 30 CHEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000589254897 1127216373 /nfs/dbraw/zinc/21/63/73/1127216373.db2.gz OZCCGKUUGXLXRG-DLBZAZTESA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000589254897 1127216375 /nfs/dbraw/zinc/21/63/75/1127216375.db2.gz OZCCGKUUGXLXRG-DLBZAZTESA-N 1 1 295.386 3.563 20 30 CHEDMO C=CCC[N@H+](Cc1ccccc1)C1CCN(CC2CC2)CC1 ZINC001168388111 1127216788 /nfs/dbraw/zinc/21/67/88/1127216788.db2.gz ASAHWFUJICXSPG-UHFFFAOYSA-N 1 1 298.474 3.939 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)C1CCN(CC2CC2)CC1 ZINC001168388111 1127216789 /nfs/dbraw/zinc/21/67/89/1127216789.db2.gz ASAHWFUJICXSPG-UHFFFAOYSA-N 1 1 298.474 3.939 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H]1CCOC(C)(C)C1 ZINC000589274684 1127216935 /nfs/dbraw/zinc/21/69/35/1127216935.db2.gz PGDJWPWQNGMZEJ-KRWDZBQOSA-N 1 1 286.419 3.646 20 30 CHEDMO N#Cc1csc(C[NH2+][C@@H](CC2CC2)c2ccccc2)n1 ZINC000589314109 1127218793 /nfs/dbraw/zinc/21/87/93/1127218793.db2.gz LIPVQVUQNFEMKM-HNNXBMFYSA-N 1 1 283.400 3.646 20 30 CHEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000589990458 1127243158 /nfs/dbraw/zinc/24/31/58/1127243158.db2.gz FOSIQMGGHFCMBV-CYBMUJFWSA-N 1 1 298.361 3.947 20 30 CHEDMO N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2CCC2)n1 ZINC000352836674 1127246369 /nfs/dbraw/zinc/24/63/69/1127246369.db2.gz WHRLWGUISMJCIY-MRXNPFEDSA-N 1 1 283.400 3.646 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285910430 1127247229 /nfs/dbraw/zinc/24/72/29/1127247229.db2.gz DDXMUJRJXSTKLB-OAHLLOKOSA-N 1 1 282.387 3.806 20 30 CHEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000590119707 1127248575 /nfs/dbraw/zinc/24/85/75/1127248575.db2.gz MEDOMQTXPDUKCE-SFHVURJKSA-N 1 1 291.398 3.505 20 30 CHEDMO Cc1cc(CNc2cc(C3CC3)cc[nH+]2)ccc1C#N ZINC000353074197 1127260192 /nfs/dbraw/zinc/26/01/92/1127260192.db2.gz TVTHDQIAPGAFMS-UHFFFAOYSA-N 1 1 263.344 3.751 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353602856 1127271573 /nfs/dbraw/zinc/27/15/73/1127271573.db2.gz FIUXZUUYBWDNNV-INIZCTEOSA-N 1 1 274.433 3.666 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000353935673 1127280536 /nfs/dbraw/zinc/28/05/36/1127280536.db2.gz VFNXCKCVPMQNLP-MOPGFXCFSA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000353935673 1127280539 /nfs/dbraw/zinc/28/05/39/1127280539.db2.gz VFNXCKCVPMQNLP-MOPGFXCFSA-N 1 1 291.398 3.662 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1coc2ccccc12)C1CC1 ZINC000354033221 1127287444 /nfs/dbraw/zinc/28/74/44/1127287444.db2.gz JKAVBERZPKQOAD-GFCCVEGCSA-N 1 1 254.333 3.557 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1coc2ccccc12)C1CC1 ZINC000354033221 1127287446 /nfs/dbraw/zinc/28/74/46/1127287446.db2.gz JKAVBERZPKQOAD-GFCCVEGCSA-N 1 1 254.333 3.557 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000760816732 1127293467 /nfs/dbraw/zinc/29/34/67/1127293467.db2.gz IPPMKLIUHGBKOY-GFCCVEGCSA-N 1 1 265.759 3.509 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591267703 1127294087 /nfs/dbraw/zinc/29/40/87/1127294087.db2.gz CBZNTDHTDLMFEC-SFHVURJKSA-N 1 1 298.430 3.991 20 30 CHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000591377860 1127299454 /nfs/dbraw/zinc/29/94/54/1127299454.db2.gz NNNPYJLKKHWSLV-JKSUJKDBSA-N 1 1 271.408 3.600 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000679359068 1127307065 /nfs/dbraw/zinc/30/70/65/1127307065.db2.gz KIDKPKGACYHGLP-UHFFFAOYSA-N 1 1 295.386 3.841 20 30 CHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287624842 1127311433 /nfs/dbraw/zinc/31/14/33/1127311433.db2.gz ZXXLSQLJVMSSIL-AWEZNQCLSA-N 1 1 275.396 3.830 20 30 CHEDMO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](C)c1cccc(C#N)c1 ZINC000591571004 1127309330 /nfs/dbraw/zinc/30/93/30/1127309330.db2.gz SKQZWQHEPXDANV-IIDMSEBBSA-N 1 1 285.435 3.520 20 30 CHEDMO C#CCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000760845703 1127311209 /nfs/dbraw/zinc/31/12/09/1127311209.db2.gz YXPNWNQEIDTHCQ-UHFFFAOYSA-N 1 1 263.331 3.733 20 30 CHEDMO CCCCCCCC[N@@H+](C)C1CCC(CO)CC1 ZINC000760870604 1127314161 /nfs/dbraw/zinc/31/41/61/1127314161.db2.gz VFPGUEOQOILJKK-UHFFFAOYSA-N 1 1 255.446 3.830 20 30 CHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138087 1127320901 /nfs/dbraw/zinc/32/09/01/1127320901.db2.gz SBLHLKQFUMAROR-HOTGVXAUSA-N 1 1 290.407 3.567 20 30 CHEDMO CCCCCCC[NH+]1CCN(C2CCCC2)CC1 ZINC000157535423 1127322904 /nfs/dbraw/zinc/32/29/04/1127322904.db2.gz IERPNZWLOSEQPQ-UHFFFAOYSA-N 1 1 252.446 3.517 20 30 CHEDMO CCC[N@H+](Cc1ccc(C)cc1)Cc1ccncc1C#N ZINC000592059143 1127332855 /nfs/dbraw/zinc/33/28/55/1127332855.db2.gz NVDYQHFULDAJQY-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1ccncc1C#N ZINC000592059143 1127332858 /nfs/dbraw/zinc/33/28/58/1127332858.db2.gz NVDYQHFULDAJQY-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO N#Cc1cnccc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000592099795 1127333178 /nfs/dbraw/zinc/33/31/78/1127333178.db2.gz UILLGBKHKNTWQJ-LJQANCHMSA-N 1 1 291.398 3.974 20 30 CHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000592102086 1127333663 /nfs/dbraw/zinc/33/36/63/1127333663.db2.gz PSITVGCMPAUOAR-OLHLWXQYSA-N 1 1 289.382 3.631 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000592102086 1127333667 /nfs/dbraw/zinc/33/36/67/1127333667.db2.gz PSITVGCMPAUOAR-OLHLWXQYSA-N 1 1 289.382 3.631 20 30 CHEDMO CC(C)(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592073981 1127334669 /nfs/dbraw/zinc/33/46/69/1127334669.db2.gz UQAIOQRGBXKOBG-QGZVFWFLSA-N 1 1 279.387 3.830 20 30 CHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592123187 1127335606 /nfs/dbraw/zinc/33/56/06/1127335606.db2.gz QJDWQLFREPTKAA-DNVCBOLYSA-N 1 1 291.398 3.926 20 30 CHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592123187 1127335608 /nfs/dbraw/zinc/33/56/08/1127335608.db2.gz QJDWQLFREPTKAA-DNVCBOLYSA-N 1 1 291.398 3.926 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccs3)CC2)cc1 ZINC000355358866 1127335880 /nfs/dbraw/zinc/33/58/80/1127335880.db2.gz ZNTHBWDNWCOLCM-UHFFFAOYSA-N 1 1 280.396 3.909 20 30 CHEDMO CC(C)[N@H+](Cc1ccncc1C#N)[C@@H](C)c1ccccc1 ZINC000592123088 1127336109 /nfs/dbraw/zinc/33/61/09/1127336109.db2.gz UZCLUHVJTLKRMK-HNNXBMFYSA-N 1 1 279.387 3.925 20 30 CHEDMO CC(C)[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1ccccc1 ZINC000592123088 1127336112 /nfs/dbraw/zinc/33/61/12/1127336112.db2.gz UZCLUHVJTLKRMK-HNNXBMFYSA-N 1 1 279.387 3.925 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000592154707 1127337695 /nfs/dbraw/zinc/33/76/95/1127337695.db2.gz TUMGTNTZTJVIMF-HRCADAONSA-N 1 1 273.424 3.578 20 30 CHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1CC1(C#N)CC1 ZINC000592143771 1127337349 /nfs/dbraw/zinc/33/73/49/1127337349.db2.gz MZOHKELLDVNATB-MRXNPFEDSA-N 1 1 272.367 3.526 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccncc1C#N ZINC000592127253 1127337370 /nfs/dbraw/zinc/33/73/70/1127337370.db2.gz YKAIQWBFLBPDEN-SPYBWZPUSA-N 1 1 291.398 3.720 20 30 CHEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000592153551 1127341704 /nfs/dbraw/zinc/34/17/04/1127341704.db2.gz GOPXZVSZVRXJNX-OCCSQVGLSA-N 1 1 289.448 3.663 20 30 CHEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000592153824 1127342365 /nfs/dbraw/zinc/34/23/65/1127342365.db2.gz IGWJWZYGFZEMPF-RDJZCZTQSA-N 1 1 283.419 3.601 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195896 1127344417 /nfs/dbraw/zinc/34/44/17/1127344417.db2.gz VNOBHRRAOWJTKZ-CABCVRRESA-N 1 1 284.403 3.653 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2n(n1)CCCC2 ZINC000592386833 1127346119 /nfs/dbraw/zinc/34/61/19/1127346119.db2.gz CIDBNYVECWCYCD-UONOGXRCSA-N 1 1 294.402 3.503 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)cc2)CC12CC=CC2 ZINC000592526781 1127353861 /nfs/dbraw/zinc/35/38/61/1127353861.db2.gz JXLMSHLEMACSHB-QGZVFWFLSA-N 1 1 266.388 3.735 20 30 CHEDMO N#Cc1ccccc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000355739025 1127361657 /nfs/dbraw/zinc/36/16/57/1127361657.db2.gz XGHTZGYGQRECFD-UHFFFAOYSA-N 1 1 254.377 3.570 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)CCOc1ccc(C#N)cc1 ZINC000058581065 1127361964 /nfs/dbraw/zinc/36/19/64/1127361964.db2.gz VZGKKKFWHJEFBQ-UHFFFAOYSA-N 1 1 294.398 3.502 20 30 CHEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cncc(C#N)c2)cc1 ZINC000592986851 1127366807 /nfs/dbraw/zinc/36/68/07/1127366807.db2.gz MDDSJPAWRHPXBA-LJQANCHMSA-N 1 1 291.398 3.995 20 30 CHEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(C#N)nc2)c1 ZINC000592987332 1127366989 /nfs/dbraw/zinc/36/69/89/1127366989.db2.gz YGNGGRTYMZFTMM-CQSZACIVSA-N 1 1 277.371 3.605 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593040616 1127368747 /nfs/dbraw/zinc/36/87/47/1127368747.db2.gz KWEWGOUNDNFVOG-KRWDZBQOSA-N 1 1 274.383 3.729 20 30 CHEDMO N#CCCCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051832 1127369803 /nfs/dbraw/zinc/36/98/03/1127369803.db2.gz ONZQIDPBKZCILT-UHFFFAOYSA-N 1 1 280.371 3.999 20 30 CHEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CCCC#N ZINC000593104469 1127373825 /nfs/dbraw/zinc/37/38/25/1127373825.db2.gz DZLQHWOZPNFOHI-CQSZACIVSA-N 1 1 292.810 3.962 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289269729 1127379553 /nfs/dbraw/zinc/37/95/53/1127379553.db2.gz DXHJOKXCDHRCKQ-HNNXBMFYSA-N 1 1 255.365 3.584 20 30 CHEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289269729 1127379558 /nfs/dbraw/zinc/37/95/58/1127379558.db2.gz DXHJOKXCDHRCKQ-HNNXBMFYSA-N 1 1 255.365 3.584 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289269729 1127379560 /nfs/dbraw/zinc/37/95/60/1127379560.db2.gz DXHJOKXCDHRCKQ-HNNXBMFYSA-N 1 1 255.365 3.584 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000157797945 1127382111 /nfs/dbraw/zinc/38/21/11/1127382111.db2.gz DJBAZYXEPOWXKT-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000157797945 1127382115 /nfs/dbraw/zinc/38/21/15/1127382115.db2.gz DJBAZYXEPOWXKT-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356322126 1127382506 /nfs/dbraw/zinc/38/25/06/1127382506.db2.gz QWTRSPJRUNYVSA-BBRMVZONSA-N 1 1 297.427 3.988 20 30 CHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356322126 1127382509 /nfs/dbraw/zinc/38/25/09/1127382509.db2.gz QWTRSPJRUNYVSA-BBRMVZONSA-N 1 1 297.427 3.988 20 30 CHEDMO CC[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000593407335 1127383136 /nfs/dbraw/zinc/38/31/36/1127383136.db2.gz RMDXTAMZYYQQKO-GDBMZVCRSA-N 1 1 299.418 3.549 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1F)CC1CCC(=O)CC1 ZINC000289986058 1127385615 /nfs/dbraw/zinc/38/56/15/1127385615.db2.gz JZNIWKGHPJKAIJ-UHFFFAOYSA-N 1 1 275.367 3.573 20 30 CHEDMO CCCOc1ccc(C[N@H+](CCC)CCC#N)cc1OC ZINC000046437921 1127400586 /nfs/dbraw/zinc/40/05/86/1127400586.db2.gz ZFWLITXZPOPUNN-UHFFFAOYSA-N 1 1 290.407 3.610 20 30 CHEDMO CCCOc1ccc(C[N@@H+](CCC)CCC#N)cc1OC ZINC000046437921 1127400589 /nfs/dbraw/zinc/40/05/89/1127400589.db2.gz ZFWLITXZPOPUNN-UHFFFAOYSA-N 1 1 290.407 3.610 20 30 CHEDMO C=CCCCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291109506 1127403852 /nfs/dbraw/zinc/40/38/52/1127403852.db2.gz BUPUWHHRHUSWFF-UHFFFAOYSA-N 1 1 283.375 3.784 20 30 CHEDMO FC(F)(F)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000761049343 1127411883 /nfs/dbraw/zinc/41/18/83/1127411883.db2.gz HDTOWABAMGJEQX-GFCCVEGCSA-N 1 1 287.712 3.576 20 30 CHEDMO FC(F)(F)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000761049343 1127411885 /nfs/dbraw/zinc/41/18/85/1127411885.db2.gz HDTOWABAMGJEQX-GFCCVEGCSA-N 1 1 287.712 3.576 20 30 CHEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506886 1127419089 /nfs/dbraw/zinc/41/90/89/1127419089.db2.gz GWKAQWJTMIERQF-AWEZNQCLSA-N 1 1 296.418 3.555 20 30 CHEDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000594600419 1127423669 /nfs/dbraw/zinc/42/36/69/1127423669.db2.gz GMWZAMHSBNBBLC-INIZCTEOSA-N 1 1 256.393 3.718 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCCCC1 ZINC000594717153 1127429049 /nfs/dbraw/zinc/42/90/49/1127429049.db2.gz HSZFWXOIOIYEGG-INIZCTEOSA-N 1 1 272.367 3.877 20 30 CHEDMO C[C@@H](Cc1ccsc1)[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613591 1127426310 /nfs/dbraw/zinc/42/63/10/1127426310.db2.gz PRYQTPMNKRDEIT-LBPRGKRZSA-N 1 1 268.385 3.567 20 30 CHEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000358560532 1127427272 /nfs/dbraw/zinc/42/72/72/1127427272.db2.gz FBWYESPOHIXLQG-ACJLOTCBSA-N 1 1 298.361 3.736 20 30 CHEDMO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000358562619 1127427411 /nfs/dbraw/zinc/42/74/11/1127427411.db2.gz HPIIFADSZGJJPC-NSHDSACASA-N 1 1 272.298 3.687 20 30 CHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000059393633 1127438284 /nfs/dbraw/zinc/43/82/84/1127438284.db2.gz ASZIPIVGBHYUNF-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO CC(C)([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1 ZINC000594968615 1127441421 /nfs/dbraw/zinc/44/14/21/1127441421.db2.gz KKTXPBGZDNEHJZ-UHFFFAOYSA-N 1 1 297.427 3.528 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(F)cc(F)c2)CCCCC1 ZINC000594981578 1127443037 /nfs/dbraw/zinc/44/30/37/1127443037.db2.gz ROWWVXJGVXRJPH-UHFFFAOYSA-N 1 1 264.319 3.528 20 30 CHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1Cl ZINC000594981456 1127443081 /nfs/dbraw/zinc/44/30/81/1127443081.db2.gz QLLSGMAATJNQGU-UHFFFAOYSA-N 1 1 292.810 3.912 20 30 CHEDMO Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1F ZINC000594981189 1127443164 /nfs/dbraw/zinc/44/31/64/1127443164.db2.gz JVOJOZHKFXIGTF-UHFFFAOYSA-N 1 1 260.356 3.698 20 30 CHEDMO COc1ccsc1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091582 1127454243 /nfs/dbraw/zinc/45/42/43/1127454243.db2.gz RMCGMAXUNQBMFB-LBPRGKRZSA-N 1 1 278.421 3.881 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000595092045 1127454679 /nfs/dbraw/zinc/45/46/79/1127454679.db2.gz VMLDFNVAKYYQIP-LBPRGKRZSA-N 1 1 299.374 3.658 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595097525 1127455805 /nfs/dbraw/zinc/45/58/05/1127455805.db2.gz KEZCAKDBVFHTCD-CYBMUJFWSA-N 1 1 287.363 3.719 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1C#N ZINC000359292445 1127456507 /nfs/dbraw/zinc/45/65/07/1127456507.db2.gz DXVNISYXHWFNKN-KSSFIOAISA-N 1 1 284.403 3.579 20 30 CHEDMO CC[N@@H+](CCc1cccs1)CCc1ccc(C#N)cc1 ZINC000595296358 1127457018 /nfs/dbraw/zinc/45/70/18/1127457018.db2.gz BMFWCLXYYNQKBS-UHFFFAOYSA-N 1 1 284.428 3.727 20 30 CHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595285443 1127457854 /nfs/dbraw/zinc/45/78/54/1127457854.db2.gz YVMWHQBHVFRSGL-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595342864 1127458689 /nfs/dbraw/zinc/45/86/89/1127458689.db2.gz ARQHGNCNEMGUFY-BFYDXBDKSA-N 1 1 256.393 3.804 20 30 CHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000595342603 1127458931 /nfs/dbraw/zinc/45/89/31/1127458931.db2.gz NOMDOFMTPQJZPN-HNNXBMFYSA-N 1 1 294.398 3.889 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)n1 ZINC000595346928 1127458971 /nfs/dbraw/zinc/45/89/71/1127458971.db2.gz YKGMHROSPOJKHZ-LJQANCHMSA-N 1 1 291.398 3.641 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CCCc3sccc3C2)cc1 ZINC000595314272 1127459428 /nfs/dbraw/zinc/45/94/28/1127459428.db2.gz STXWEGNVACYWDH-UHFFFAOYSA-N 1 1 282.412 3.611 20 30 CHEDMO CC[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@H](C)C#N ZINC000595305822 1127459441 /nfs/dbraw/zinc/45/94/41/1127459441.db2.gz RKCKCEUIXIERDI-ZBFHGGJFSA-N 1 1 256.393 3.588 20 30 CHEDMO C[C@@H](c1ccco1)[N@@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595380106 1127461817 /nfs/dbraw/zinc/46/18/17/1127461817.db2.gz KANMRBGPFBPBAA-AWEZNQCLSA-N 1 1 280.371 3.919 20 30 CHEDMO Cc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)o1 ZINC000595502880 1127464348 /nfs/dbraw/zinc/46/43/48/1127464348.db2.gz ONFQTPILRBFLKI-MRXNPFEDSA-N 1 1 283.375 3.816 20 30 CHEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000761112757 1127465450 /nfs/dbraw/zinc/46/54/50/1127465450.db2.gz BKFXMMVXMMSUNB-LLVKDONJSA-N 1 1 286.202 3.636 20 30 CHEDMO CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](CC#N)C3)c2O1 ZINC000595622923 1127468548 /nfs/dbraw/zinc/46/85/48/1127468548.db2.gz FYIWDGPFJFCKSE-AWEZNQCLSA-N 1 1 284.403 3.526 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000595617458 1127467955 /nfs/dbraw/zinc/46/79/55/1127467955.db2.gz TVZZKHDUJQLRIU-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000595617458 1127467956 /nfs/dbraw/zinc/46/79/56/1127467956.db2.gz TVZZKHDUJQLRIU-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611238 1127470607 /nfs/dbraw/zinc/47/06/07/1127470607.db2.gz ICQMHMLEWSRZEZ-VXGBXAGGSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611238 1127470608 /nfs/dbraw/zinc/47/06/08/1127470608.db2.gz ICQMHMLEWSRZEZ-VXGBXAGGSA-N 1 1 264.319 3.651 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000595615399 1127471311 /nfs/dbraw/zinc/47/13/11/1127471311.db2.gz QQVYKWWGFUHRKA-HNNXBMFYSA-N 1 1 276.811 3.898 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)C1 ZINC000595673914 1127471783 /nfs/dbraw/zinc/47/17/83/1127471783.db2.gz GIAHLSIMIPYYLZ-YCPHGPKFSA-N 1 1 270.376 3.889 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC3(CCCC3)[C@H]2c2ccco2)C1 ZINC000595673519 1127472172 /nfs/dbraw/zinc/47/21/72/1127472172.db2.gz GIAHLSIMIPYYLZ-IIAWOOMASA-N 1 1 270.376 3.889 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702236 1127472583 /nfs/dbraw/zinc/47/25/83/1127472583.db2.gz 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/nfs/dbraw/zinc/52/74/19/1127527419.db2.gz URPJQRIJHFIPJO-UHFFFAOYSA-N 1 1 285.416 3.758 20 30 CHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597087975 1127527875 /nfs/dbraw/zinc/52/78/75/1127527875.db2.gz KLHKWHZAWMHYQR-RHSMWYFYSA-N 1 1 268.404 3.862 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000597087204 1127527896 /nfs/dbraw/zinc/52/78/96/1127527896.db2.gz QZCRUYJKASFSNJ-OAHLLOKOSA-N 1 1 299.349 3.795 20 30 CHEDMO CCCOc1ccc(C[NH2+][C@@H](CC)CC#N)c(C)c1 ZINC000597085706 1127528074 /nfs/dbraw/zinc/52/80/74/1127528074.db2.gz HSFJARZXOCBAKA-HNNXBMFYSA-N 1 1 260.381 3.566 20 30 CHEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597157693 1127530810 /nfs/dbraw/zinc/53/08/10/1127530810.db2.gz IAKFJWMHNSKIBG-QGZVFWFLSA-N 1 1 298.430 3.631 20 30 CHEDMO CC1(C)CCc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2O1 ZINC000597173947 1127531653 /nfs/dbraw/zinc/53/16/53/1127531653.db2.gz OGRCOPJSXOUKFE-OAHLLOKOSA-N 1 1 298.430 3.916 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000597176173 1127532269 /nfs/dbraw/zinc/53/22/69/1127532269.db2.gz GDAWYGNAONBLMS-YOUVMVQBSA-N 1 1 276.330 3.604 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(COC)CCC1 ZINC000361296220 1127554981 /nfs/dbraw/zinc/55/49/81/1127554981.db2.gz MZCXJFILXXSGBN-UHFFFAOYSA-N 1 1 286.419 3.587 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000602436273 1127578429 /nfs/dbraw/zinc/57/84/29/1127578429.db2.gz MPXVHFGGILHDAD-INIZCTEOSA-N 1 1 285.435 3.658 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000602435601 1127578496 /nfs/dbraw/zinc/57/84/96/1127578496.db2.gz ICSOUFLBYGVOMH-ZDUSSCGKSA-N 1 1 280.799 3.590 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602434282 1127578665 /nfs/dbraw/zinc/57/86/65/1127578665.db2.gz PDWUHFQDUIZXJG-HNNXBMFYSA-N 1 1 291.398 3.754 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccccc1CC(F)(F)F ZINC000602438990 1127579146 /nfs/dbraw/zinc/57/91/46/1127579146.db2.gz UOJWYTFEMDLDCR-UHFFFAOYSA-N 1 1 270.298 3.527 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccccc1CC(F)(F)F ZINC000602438990 1127579149 /nfs/dbraw/zinc/57/91/49/1127579149.db2.gz UOJWYTFEMDLDCR-UHFFFAOYSA-N 1 1 270.298 3.527 20 30 CHEDMO CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(C#N)n1 ZINC000602431853 1127579210 /nfs/dbraw/zinc/57/92/10/1127579210.db2.gz FOISZWFPHRABHO-UHFFFAOYSA-N 1 1 291.807 3.690 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C#N)n1 ZINC000602431853 1127579213 /nfs/dbraw/zinc/57/92/13/1127579213.db2.gz FOISZWFPHRABHO-UHFFFAOYSA-N 1 1 291.807 3.690 20 30 CHEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000602442195 1127579690 /nfs/dbraw/zinc/57/96/90/1127579690.db2.gz UCNKQPJYCDHAEY-HZPDHXFCSA-N 1 1 288.435 3.888 20 30 CHEDMO CC(C)[N@H+](Cc1cccs1)C[C@@H](C)CCC#N ZINC000602439741 1127579757 /nfs/dbraw/zinc/57/97/57/1127579757.db2.gz MNGQBJSXCGULNI-ZDUSSCGKSA-N 1 1 250.411 3.898 20 30 CHEDMO CC1(C)C[N@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602447775 1127580589 /nfs/dbraw/zinc/58/05/89/1127580589.db2.gz FYTNWNXCFGXFGX-QGZVFWFLSA-N 1 1 277.371 3.536 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602447775 1127580590 /nfs/dbraw/zinc/58/05/90/1127580590.db2.gz FYTNWNXCFGXFGX-QGZVFWFLSA-N 1 1 277.371 3.536 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000602474396 1127581360 /nfs/dbraw/zinc/58/13/60/1127581360.db2.gz VOOGNINMXBIQAZ-JKIFEVAISA-N 1 1 290.382 3.527 20 30 CHEDMO CC(C)[C@H](C)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000361692546 1127581537 /nfs/dbraw/zinc/58/15/37/1127581537.db2.gz LUDANYUOLBQJFD-LBPRGKRZSA-N 1 1 260.356 3.706 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000602472233 1127582543 /nfs/dbraw/zinc/58/25/43/1127582543.db2.gz QAXHCBZRUHQITF-GDBMZVCRSA-N 1 1 274.433 3.716 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000602468188 1127582499 /nfs/dbraw/zinc/58/24/99/1127582499.db2.gz JXBZLUHKPGIDEI-QWHCGFSZSA-N 1 1 260.356 3.685 20 30 CHEDMO CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H](C)CCC#N)cs1 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CC[C@H](c1ccccc1OC)[N@@H+](C)CC1(CC#N)CC1 ZINC000602832569 1127616299 /nfs/dbraw/zinc/61/62/99/1127616299.db2.gz JPPIGTSAHKRGKY-OAHLLOKOSA-N 1 1 272.392 3.772 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602853619 1127617036 /nfs/dbraw/zinc/61/70/36/1127617036.db2.gz JMZQYJQNNKXRMJ-QGZVFWFLSA-N 1 1 285.435 3.981 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)cc1C#N ZINC000602856862 1127617719 /nfs/dbraw/zinc/61/77/19/1127617719.db2.gz SKBKYBIWEAFHBB-SFHVURJKSA-N 1 1 291.398 3.641 20 30 CHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC1(CC#N)CC1 ZINC000602755224 1127612762 /nfs/dbraw/zinc/61/27/62/1127612762.db2.gz BGXYMDOXQDZTGF-UHFFFAOYSA-N 1 1 282.309 3.831 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(CC#N)CC2)[C@@H](c2ccco2)C1 ZINC000602783636 1127613477 /nfs/dbraw/zinc/61/34/77/1127613477.db2.gz PRLJXJJNIJNCMG-UONOGXRCSA-N 1 1 258.365 3.746 20 30 CHEDMO N#CCC1(C[N@H+](Cc2ccco2)Cc2ccccc2)CC1 ZINC000602766435 1127613884 /nfs/dbraw/zinc/61/38/84/1127613884.db2.gz 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C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCc2ccccc21 ZINC000593680649 1127658008 /nfs/dbraw/zinc/65/80/08/1127658008.db2.gz ZYMPCVPRYHHVQV-CYBMUJFWSA-N 1 1 282.412 3.782 20 30 CHEDMO C#C[C@@H](CC)[NH2+]Cc1cccc(Cl)c1Br ZINC000719440823 1127663561 /nfs/dbraw/zinc/66/35/61/1127663561.db2.gz WBTYLQFBMUUIKL-JTQLQIEISA-N 1 1 286.600 3.604 20 30 CHEDMO Cc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1C#N ZINC000599329669 1127668140 /nfs/dbraw/zinc/66/81/40/1127668140.db2.gz BNUJAFDILZCBIJ-UHFFFAOYSA-N 1 1 297.427 3.882 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1nc(C)cs1 ZINC000599360887 1127669742 /nfs/dbraw/zinc/66/97/42/1127669742.db2.gz XKYAPUIWOWDCKC-HNNXBMFYSA-N 1 1 285.416 3.873 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1nccs1 ZINC000599360786 1127669959 /nfs/dbraw/zinc/66/99/59/1127669959.db2.gz WCRMQIAGWXFXLN-CQSZACIVSA-N 1 1 271.389 3.564 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1nccs1 ZINC000599360785 1127670147 /nfs/dbraw/zinc/67/01/47/1127670147.db2.gz WCRMQIAGWXFXLN-AWEZNQCLSA-N 1 1 271.389 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N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000930861734 1128337507 /nfs/dbraw/zinc/33/75/07/1128337507.db2.gz DEFKXCFTHDMLIU-CQSZACIVSA-N 1 1 296.748 3.833 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC(OCc2ccccc2)C1 ZINC000931061840 1128345359 /nfs/dbraw/zinc/34/53/59/1128345359.db2.gz DNIYGBSVKXXKCD-LPOKXYRGSA-N 1 1 283.415 3.917 20 30 CHEDMO N#Cc1ccc(CNc2cccc3cc[nH+]cc32)cc1 ZINC000094966863 1128350501 /nfs/dbraw/zinc/35/05/01/1128350501.db2.gz VQJOYJAQYWWGIF-UHFFFAOYSA-N 1 1 259.312 3.719 20 30 CHEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CCN1CCCCCC1 ZINC000561908301 1128361191 /nfs/dbraw/zinc/36/11/91/1128361191.db2.gz ZQDGXCUQJGYZCT-UHFFFAOYSA-N 1 1 293.499 3.903 20 30 CHEDMO CC(C)N(CCCC(C)(C)C#N)CC[NH+]1CCCCCC1 ZINC000561908301 1128361194 /nfs/dbraw/zinc/36/11/94/1128361194.db2.gz ZQDGXCUQJGYZCT-UHFFFAOYSA-N 1 1 293.499 3.903 20 30 CHEDMO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N)cc1 ZINC000915964605 1128400458 /nfs/dbraw/zinc/40/04/58/1128400458.db2.gz FJPOGUIWNVMVHC-UHFFFAOYSA-N 1 1 276.343 3.653 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932250569 1128402010 /nfs/dbraw/zinc/40/20/10/1128402010.db2.gz YHCPSLXHFMFTSO-CQSZACIVSA-N 1 1 295.224 3.947 20 30 CHEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000932276034 1128402969 /nfs/dbraw/zinc/40/29/69/1128402969.db2.gz RXPGFWPUNZREDY-CJNGLKHVSA-N 1 1 297.427 3.783 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153977348 1128418762 /nfs/dbraw/zinc/41/87/62/1128418762.db2.gz OVEFFIOJGKMAFE-UHFFFAOYSA-N 1 1 268.744 3.646 20 30 CHEDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000932898280 1128426075 /nfs/dbraw/zinc/42/60/75/1128426075.db2.gz KJJUSQDHTNYQFW-SFHVURJKSA-N 1 1 291.398 3.721 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000497153106 1128455873 /nfs/dbraw/zinc/45/58/73/1128455873.db2.gz XJYPMUOVARWTHS-UHFFFAOYSA-N 1 1 264.419 3.880 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1 ZINC000778234297 1128455888 /nfs/dbraw/zinc/45/58/88/1128455888.db2.gz JMNFARPYKALKSU-MRXNPFEDSA-N 1 1 270.763 3.589 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934331412 1128458334 /nfs/dbraw/zinc/45/83/34/1128458334.db2.gz AOHKJSUITBLZKO-HIFRSBDPSA-N 1 1 297.427 3.640 20 30 CHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934339655 1128458680 /nfs/dbraw/zinc/45/86/80/1128458680.db2.gz PUXFSWFIOTUUCZ-WFASDCNBSA-N 1 1 290.794 3.617 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)cccc1C(C)C ZINC000934472341 1128461660 /nfs/dbraw/zinc/46/16/60/1128461660.db2.gz LZDCMOIPWIZTDB-HNNXBMFYSA-N 1 1 286.419 3.707 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)cccc1C(C)C ZINC000934472341 1128461662 /nfs/dbraw/zinc/46/16/62/1128461662.db2.gz LZDCMOIPWIZTDB-HNNXBMFYSA-N 1 1 286.419 3.707 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000934471883 1128461839 /nfs/dbraw/zinc/46/18/39/1128461839.db2.gz VXTCIKINDVVLES-AWEZNQCLSA-N 1 1 284.359 3.501 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000934471883 1128461842 /nfs/dbraw/zinc/46/18/42/1128461842.db2.gz VXTCIKINDVVLES-AWEZNQCLSA-N 1 1 284.359 3.501 20 30 CHEDMO C#C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1c(C)cccc1C ZINC000934508697 1128462567 /nfs/dbraw/zinc/46/25/67/1128462567.db2.gz FGYKGKDYOJDMTK-KRWDZBQOSA-N 1 1 298.430 3.510 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000039203928 1128462659 /nfs/dbraw/zinc/46/26/59/1128462659.db2.gz GFJJAJGHEPQGHH-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837714 1128470626 /nfs/dbraw/zinc/47/06/26/1128470626.db2.gz KPQBWSRTGIFONX-OALUTQOASA-N 1 1 298.430 3.505 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837716 1128470893 /nfs/dbraw/zinc/47/08/93/1128470893.db2.gz KPQBWSRTGIFONX-RTBURBONSA-N 1 1 298.430 3.505 20 30 CHEDMO C=CC[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC000917069816 1128474709 /nfs/dbraw/zinc/47/47/09/1128474709.db2.gz WNYHLDISHDELSF-GOSISDBHSA-N 1 1 269.388 3.770 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000154327358 1128491625 /nfs/dbraw/zinc/49/16/25/1128491625.db2.gz XXBVORGNCAHNLM-UHFFFAOYSA-N 1 1 288.395 3.534 20 30 CHEDMO Cc1ccoc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154380345 1128497831 /nfs/dbraw/zinc/49/78/31/1128497831.db2.gz RJOWSAUFJBDVCL-UHFFFAOYSA-N 1 1 268.360 3.870 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)ccc1C#N ZINC000488217785 1128499803 /nfs/dbraw/zinc/49/98/03/1128499803.db2.gz ZOGOKBABHFBPQK-IBGZPJMESA-N 1 1 276.383 3.684 20 30 CHEDMO CC(=[NH+]Nc1cccc2c1CCCC2)c1ccc(N)cc1 ZINC000917552279 1128507086 /nfs/dbraw/zinc/50/70/86/1128507086.db2.gz PJERGGUJGNUEFT-UHFFFAOYSA-N 1 1 279.387 3.984 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000567103406 1128558251 /nfs/dbraw/zinc/55/82/51/1128558251.db2.gz ZPJIPODZAXIZTO-LJQANCHMSA-N 1 1 291.398 3.507 20 30 CHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565663801 1128530779 /nfs/dbraw/zinc/53/07/79/1128530779.db2.gz BUQDKBPUJUSNCQ-SFHVURJKSA-N 1 1 295.386 3.545 20 30 CHEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154650976 1128536544 /nfs/dbraw/zinc/53/65/44/1128536544.db2.gz UQSACDMTOULGDX-DLBZAZTESA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCCCCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000918393759 1128543351 /nfs/dbraw/zinc/54/33/51/1128543351.db2.gz BSKZWQVKKHXDRN-MRXNPFEDSA-N 1 1 282.472 3.728 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000566681750 1128549153 /nfs/dbraw/zinc/54/91/53/1128549153.db2.gz LMIUDDMDSBUYSU-UHFFFAOYSA-N 1 1 287.363 3.619 20 30 CHEDMO CC[N@H+](CCOc1ccc2ccccc2c1)C[C@@H](C)C#N ZINC000064248611 1128557216 /nfs/dbraw/zinc/55/72/16/1128557216.db2.gz VWXFZDHAPXRUQK-HNNXBMFYSA-N 1 1 282.387 3.700 20 30 CHEDMO CC[N@@H+](CCOc1ccc2ccccc2c1)C[C@@H](C)C#N ZINC000064248611 1128557219 /nfs/dbraw/zinc/55/72/19/1128557219.db2.gz VWXFZDHAPXRUQK-HNNXBMFYSA-N 1 1 282.387 3.700 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000567520460 1128566387 /nfs/dbraw/zinc/56/63/87/1128566387.db2.gz QLRRYNVDTQFHTE-SFHVURJKSA-N 1 1 297.402 3.702 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000567520460 1128566390 /nfs/dbraw/zinc/56/63/90/1128566390.db2.gz QLRRYNVDTQFHTE-SFHVURJKSA-N 1 1 297.402 3.702 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174868965 1128567331 /nfs/dbraw/zinc/56/73/31/1128567331.db2.gz XHKIHKMHNUMIEA-UHFFFAOYSA-N 1 1 268.744 3.646 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000568399340 1128584376 /nfs/dbraw/zinc/58/43/76/1128584376.db2.gz KCCJGJNXTPYHLQ-UHFFFAOYSA-N 1 1 299.374 3.623 20 30 CHEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCC(C)(C)C#N)[C@H]2C ZINC000543846276 1128605950 /nfs/dbraw/zinc/60/59/50/1128605950.db2.gz ADGKKOFJMMXBQD-KBPBESRZSA-N 1 1 286.419 3.943 20 30 CHEDMO CC[N@@H+](CCc1nccs1)Cc1c(C)cc(C#N)cc1C ZINC000930087368 1128616652 /nfs/dbraw/zinc/61/66/52/1128616652.db2.gz MYGJSILVOMTDAL-UHFFFAOYSA-N 1 1 299.443 3.696 20 30 CHEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCCCCC1 ZINC000155923543 1128619403 /nfs/dbraw/zinc/61/94/03/1128619403.db2.gz PNTBHPGWTUHTQA-GOSISDBHSA-N 1 1 286.419 3.636 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@@H]2CCC[C@@H]21 ZINC000556958473 1128651903 /nfs/dbraw/zinc/65/19/03/1128651903.db2.gz GGCDKXYPUBCEHD-UONOGXRCSA-N 1 1 260.406 3.630 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000930118339 1128665685 /nfs/dbraw/zinc/66/56/85/1128665685.db2.gz DAEFZKXYSSOLEG-OAHLLOKOSA-N 1 1 279.387 3.763 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000574118993 1128662259 /nfs/dbraw/zinc/66/22/59/1128662259.db2.gz JMNIRWOJZMCKNB-OAHLLOKOSA-N 1 1 274.408 3.528 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C\c2ccccc2O)C1 ZINC000920174989 1128670968 /nfs/dbraw/zinc/67/09/68/1128670968.db2.gz SDGTWQSRTZUIBQ-GRZREVBKSA-N 1 1 294.398 3.647 20 30 CHEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1F ZINC000047726117 1128672823 /nfs/dbraw/zinc/67/28/23/1128672823.db2.gz APTIZCMFYMFQLM-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1F ZINC000047726117 1128672826 /nfs/dbraw/zinc/67/28/26/1128672826.db2.gz APTIZCMFYMFQLM-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1 ZINC000047740207 1128673218 /nfs/dbraw/zinc/67/32/18/1128673218.db2.gz AELBLHZJICCQTK-IBGZPJMESA-N 1 1 294.398 3.504 20 30 CHEDMO CC(C)[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1F ZINC000048273284 1128691142 /nfs/dbraw/zinc/69/11/42/1128691142.db2.gz BNRHUBZLRJGYIP-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1F ZINC000048273284 1128691143 /nfs/dbraw/zinc/69/11/43/1128691143.db2.gz BNRHUBZLRJGYIP-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CCCCCCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001258050398 1128691827 /nfs/dbraw/zinc/69/18/27/1128691827.db2.gz UCBOLCXOUZUJDJ-WBVHZDCISA-N 1 1 282.472 3.678 20 30 CHEDMO CC(C)c1ncc(C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000130746636 1128711766 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C=CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000428454484 1124123449 /nfs/dbraw/zinc/12/34/49/1124123449.db2.gz RGJJPMDQGJHZCA-RDJZCZTQSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCC23CCC3)cc1 ZINC000446836465 1124124892 /nfs/dbraw/zinc/12/48/92/1124124892.db2.gz REZDAQYLBVAMAR-UHFFFAOYSA-N 1 1 257.377 3.770 20 30 CHEDMO CC1CCC([N@@H+](C)Cc2cccc(F)c2C#N)CC1 ZINC000428469561 1124133074 /nfs/dbraw/zinc/13/30/74/1124133074.db2.gz VQKVRGOQNMUJDG-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc(C(C)(C)C)cs1 ZINC000447277051 1124459653 /nfs/dbraw/zinc/45/96/53/1124459653.db2.gz FKAFCQRMBPZGEU-UHFFFAOYSA-N 1 1 252.427 3.839 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nc(C(C)(C)C)cs1 ZINC000447277051 1124459650 /nfs/dbraw/zinc/45/96/50/1124459650.db2.gz FKAFCQRMBPZGEU-UHFFFAOYSA-N 1 1 252.427 3.839 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001119691255 1131261565 /nfs/dbraw/zinc/26/15/65/1131261565.db2.gz HKXYWHMMDFQEPQ-CYBMUJFWSA-N 1 1 282.309 3.559 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268.360 3.584 20 30 CHEDMO CC(C)(C)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000871932242 1124653181 /nfs/dbraw/zinc/65/31/81/1124653181.db2.gz RTBUZESCZNEEOA-LBPRGKRZSA-N 1 1 275.421 3.579 20 30 CHEDMO C=CC[N@@H+](Cc1nc2cc(C)ccc2s1)C1CC1 ZINC000528430624 1124660648 /nfs/dbraw/zinc/66/06/48/1124660648.db2.gz KJZYKTDKLKXOBS-UHFFFAOYSA-N 1 1 258.390 3.755 20 30 CHEDMO C=CC[N@H+](Cc1nc2cc(C)ccc2s1)C1CC1 ZINC000528430624 1124660651 /nfs/dbraw/zinc/66/06/51/1124660651.db2.gz KJZYKTDKLKXOBS-UHFFFAOYSA-N 1 1 258.390 3.755 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2cc1OC ZINC000449243850 1124679051 /nfs/dbraw/zinc/67/90/51/1124679051.db2.gz NWWYCCCVSQSGQH-INIZCTEOSA-N 1 1 268.360 3.630 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1C#N ZINC000872283392 1124701243 /nfs/dbraw/zinc/70/12/43/1124701243.db2.gz KPNCUUVBWPAHAP-LJQANCHMSA-N 1 1 298.430 3.790 20 30 CHEDMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000528604686 1124705948 /nfs/dbraw/zinc/70/59/48/1124705948.db2.gz 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C#CC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000769529965 1129915911 /nfs/dbraw/zinc/91/59/11/1129915911.db2.gz JFSKBPTZZLKPPS-AEFFLSMTSA-N 1 1 253.389 3.668 20 30 CHEDMO C#CC[N@H+](Cc1ccc(OCC=C)c(OC)c1)C1CCCC1 ZINC000769529479 1129915915 /nfs/dbraw/zinc/91/59/15/1129915915.db2.gz BIRZZXCCMLDQLL-UHFFFAOYSA-N 1 1 299.414 3.638 20 30 CHEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccco2)c2ccccn21 ZINC000769771481 1129923388 /nfs/dbraw/zinc/92/33/88/1129923388.db2.gz NZXNRKQZCPSNIH-CMDGGOBGSA-N 1 1 280.327 3.947 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C ZINC000769954885 1129932220 /nfs/dbraw/zinc/93/22/20/1129932220.db2.gz XXJOWRAVHLXWBJ-GJZGRUSLSA-N 1 1 291.435 3.539 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000769978408 1129934059 /nfs/dbraw/zinc/93/40/59/1129934059.db2.gz XYMNMJMPEPYTIR-VGVVRCBHSA-N 1 1 292.220 3.806 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1cccc(F)c1Br ZINC001137722515 1131409075 /nfs/dbraw/zinc/40/90/75/1131409075.db2.gz TUVDDPHCABIIAS-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(F)c1Br ZINC001137722515 1131409080 /nfs/dbraw/zinc/40/90/80/1131409080.db2.gz TUVDDPHCABIIAS-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000823110482 1131413140 /nfs/dbraw/zinc/41/31/40/1131413140.db2.gz VYJQAFXLDBKVNJ-HOTGVXAUSA-N 1 1 286.419 3.921 20 30 CHEDMO CC1CCC(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000770393636 1129946127 /nfs/dbraw/zinc/94/61/27/1129946127.db2.gz ZMEPWWNTYHJFTP-RJYAGPCLSA-N 1 1 298.430 3.758 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000801928900 1129960044 /nfs/dbraw/zinc/96/00/44/1129960044.db2.gz ANSSHMCVHYHUHD-WBVHZDCISA-N 1 1 278.440 3.740 20 30 CHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCO[C@@H](C)C#N ZINC000801924543 1129960068 /nfs/dbraw/zinc/96/00/68/1129960068.db2.gz WSMUXLJLOAOPSU-WMZOPIPTSA-N 1 1 288.435 3.567 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)nc1 ZINC001137741201 1131410907 /nfs/dbraw/zinc/41/09/07/1131410907.db2.gz QPOPMWJDDURHDC-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000771453708 1129980167 /nfs/dbraw/zinc/98/01/67/1129980167.db2.gz FIUGPDLEHNLJHT-AYBZRNKSSA-N 1 1 298.430 3.758 20 30 CHEDMO C=CC[N@H+](Cc1c(C)nn(C)c1Cl)C1CCCCC1 ZINC001137752821 1131412232 /nfs/dbraw/zinc/41/22/32/1131412232.db2.gz MPJINAOWOGNPTN-UHFFFAOYSA-N 1 1 281.831 3.703 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000771929293 1129994960 /nfs/dbraw/zinc/99/49/60/1129994960.db2.gz WJAQDXQJPNLEFK-UHFFFAOYSA-N 1 1 279.383 3.721 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cscc2Cl)c1 ZINC000771970343 1129999376 /nfs/dbraw/zinc/99/93/76/1129999376.db2.gz OYVAKFLJPXUQCG-UHFFFAOYSA-N 1 1 280.755 3.702 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](CCOCCC#N)C1CCCC1 ZINC000823109812 1131412917 /nfs/dbraw/zinc/41/29/17/1131412917.db2.gz DSKXXWUAPNDTBB-MRXNPFEDSA-N 1 1 286.419 3.922 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C)cc1-c1ccnn1C)C(C)C ZINC000802638132 1130023634 /nfs/dbraw/zinc/02/36/34/1130023634.db2.gz LNDCKCOINNLOGN-UHFFFAOYSA-N 1 1 283.419 3.792 20 30 CHEDMO C#CC[N@@H+](Cc1ccsc1)[C@@H]1CCc2ccccc21 ZINC000772598245 1130032871 /nfs/dbraw/zinc/03/28/71/1130032871.db2.gz JWVIPNCSGOPLDL-QGZVFWFLSA-N 1 1 267.397 3.871 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(C)o1)[C@H]1CCc2ccccc21 ZINC000772600154 1130033847 /nfs/dbraw/zinc/03/38/47/1130033847.db2.gz VCVRFSKHEWBWPP-SFHVURJKSA-N 1 1 265.356 3.711 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C)o1)[C@H]1CCc2ccccc21 ZINC000772600154 1130033856 /nfs/dbraw/zinc/03/38/56/1130033856.db2.gz VCVRFSKHEWBWPP-SFHVURJKSA-N 1 1 265.356 3.711 20 30 CHEDMO CC[C@H]([NH2+]Cc1nc(C)cs1)c1cccc(C#N)c1 ZINC000902735725 1130048383 /nfs/dbraw/zinc/04/83/83/1130048383.db2.gz IVHHNWMKRUTSNF-AWEZNQCLSA-N 1 1 271.389 3.564 20 30 CHEDMO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902806308 1130060985 /nfs/dbraw/zinc/06/09/85/1130060985.db2.gz JUWAKLUGFFRYBL-WMLDXEAASA-N 1 1 294.402 3.705 20 30 CHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000902884881 1130078563 /nfs/dbraw/zinc/07/85/63/1130078563.db2.gz OSSQPAODESNNGN-WMLDXEAASA-N 1 1 290.370 3.649 20 30 CHEDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000903010395 1130100357 /nfs/dbraw/zinc/10/03/57/1130100357.db2.gz LEHSEFYEFPCLOM-VBNZEHGJSA-N 1 1 280.375 3.501 20 30 CHEDMO CC1(C)Cc2occc2[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000903030460 1130102098 /nfs/dbraw/zinc/10/20/98/1130102098.db2.gz BXYUCQOPRWGQJW-ZDUSSCGKSA-N 1 1 258.365 3.577 20 30 CHEDMO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)c2ccsc2S1 ZINC000903032115 1130102739 /nfs/dbraw/zinc/10/27/39/1130102739.db2.gz PZIWWMWFSRNIFB-JQWIXIFHSA-N 1 1 278.446 3.957 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(Br)cs1 ZINC000903032488 1130102850 /nfs/dbraw/zinc/10/28/50/1130102850.db2.gz JCBIIVAGUZAXRL-VIFPVBQESA-N 1 1 299.237 3.855 20 30 CHEDMO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(C)ccn1 ZINC000903035122 1130103020 /nfs/dbraw/zinc/10/30/20/1130103020.db2.gz IRBIXDKZMCOTFJ-CQSZACIVSA-N 1 1 257.381 3.515 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(C)ccc1OC ZINC000903033299 1130103047 /nfs/dbraw/zinc/10/30/47/1130103047.db2.gz SLOSDRMLFSYBQI-OAHLLOKOSA-N 1 1 272.392 3.738 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCC1 ZINC000903032576 1130103084 /nfs/dbraw/zinc/10/30/84/1130103084.db2.gz KARXWWHYQISYMB-CQSZACIVSA-N 1 1 290.794 3.837 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1F ZINC000903039742 1130103787 /nfs/dbraw/zinc/10/37/87/1130103787.db2.gz XCDNKPYHYNPDAP-WBMJQRKESA-N 1 1 283.350 3.894 20 30 CHEDMO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cc(C#N)ccn1 ZINC000903065722 1130107435 /nfs/dbraw/zinc/10/74/35/1130107435.db2.gz XXWKHLIZAHBFHP-UGSOOPFHSA-N 1 1 292.386 3.540 20 30 CHEDMO C=CCCC[C@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000903089654 1130110345 /nfs/dbraw/zinc/11/03/45/1130110345.db2.gz VABVUNZUJUABNF-HOCLYGCPSA-N 1 1 284.407 3.563 20 30 CHEDMO CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1 ZINC000903093879 1130111480 /nfs/dbraw/zinc/11/14/80/1130111480.db2.gz LFQBJINLXOQIKN-INIZCTEOSA-N 1 1 281.359 3.665 20 30 CHEDMO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903105583 1130113273 /nfs/dbraw/zinc/11/32/73/1130113273.db2.gz FGMMEYRJVLAZNP-LLVKDONJSA-N 1 1 293.208 3.712 20 30 CHEDMO Cc1ccc2cc([C@@H](C)[NH2+]CC3(C#N)CC3)oc2c1 ZINC000903105534 1130113576 /nfs/dbraw/zinc/11/35/76/1130113576.db2.gz DLBZMONEGJGZBJ-GFCCVEGCSA-N 1 1 254.333 3.696 20 30 CHEDMO Cc1ccc([C@@H]([NH2+]CC2(C#N)CC2)C2CCCC2)o1 ZINC000903105390 1130113826 /nfs/dbraw/zinc/11/38/26/1130113826.db2.gz BVWOLMICPPGXPL-HNNXBMFYSA-N 1 1 258.365 3.713 20 30 CHEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107930 1130114315 /nfs/dbraw/zinc/11/43/15/1130114315.db2.gz IKURQLNXFVYXAX-ZDUSSCGKSA-N 1 1 287.363 3.638 20 30 CHEDMO CCc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCCC2)s1 ZINC000903108462 1130114957 /nfs/dbraw/zinc/11/49/57/1130114957.db2.gz SGEAJZFKVIJHRF-NSHDSACASA-N 1 1 277.437 3.749 20 30 CHEDMO CC[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1 ZINC000903191442 1130127329 /nfs/dbraw/zinc/12/73/29/1130127329.db2.gz WRTHSEQYSKYMIH-AWEZNQCLSA-N 1 1 297.427 3.744 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(F)nc1C ZINC000787173382 1130137465 /nfs/dbraw/zinc/13/74/65/1130137465.db2.gz IDZYIIRBNYEWLC-UHFFFAOYSA-N 1 1 250.361 3.707 20 30 CHEDMO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903262867 1130139236 /nfs/dbraw/zinc/13/92/36/1130139236.db2.gz IDCDMIHYNDGZOS-BXUZGUMPSA-N 1 1 283.400 3.661 20 30 CHEDMO CC(C)c1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000903263980 1130139421 /nfs/dbraw/zinc/13/94/21/1130139421.db2.gz PUHXLJOEWRKEIN-GFCCVEGCSA-N 1 1 285.416 3.989 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000746677774 1130148905 /nfs/dbraw/zinc/14/89/05/1130148905.db2.gz GXIKUZVDURPLHT-MRXNPFEDSA-N 1 1 277.456 3.645 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000787997675 1130168070 /nfs/dbraw/zinc/16/80/70/1130168070.db2.gz OXKBIYUIQHJVLS-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000787997675 1130168072 /nfs/dbraw/zinc/16/80/72/1130168072.db2.gz OXKBIYUIQHJVLS-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1cncn1C ZINC000751468204 1130180120 /nfs/dbraw/zinc/18/01/20/1130180120.db2.gz FVDRUJIALUBQTF-UHFFFAOYSA-N 1 1 251.418 3.603 20 30 CHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCCCC(C)(C)C#N ZINC000803856492 1130202602 /nfs/dbraw/zinc/20/26/02/1130202602.db2.gz RMOKHXZGNKMYGE-HNNXBMFYSA-N 1 1 294.439 3.514 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000753575051 1130218656 /nfs/dbraw/zinc/21/86/56/1130218656.db2.gz FVVOKAFWJVYLPS-HOTGVXAUSA-N 1 1 284.403 3.766 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000753588599 1130222180 /nfs/dbraw/zinc/22/21/80/1130222180.db2.gz YBMQEPBSSKJKSC-IBGZPJMESA-N 1 1 297.446 3.803 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000753588599 1130222184 /nfs/dbraw/zinc/22/21/84/1130222184.db2.gz YBMQEPBSSKJKSC-IBGZPJMESA-N 1 1 297.446 3.803 20 30 CHEDMO C#CC[N@H+](CCCCOC(C)(C)C)C1CCCCC1 ZINC000789311840 1130243049 /nfs/dbraw/zinc/24/30/49/1130243049.db2.gz MYEQORPNJWYPTB-UHFFFAOYSA-N 1 1 265.441 3.850 20 30 CHEDMO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C#N)C1 ZINC001254497988 1130255523 /nfs/dbraw/zinc/25/55/23/1130255523.db2.gz GMNYUVYTASJHRE-IAGOWNOFSA-N 1 1 256.393 3.633 20 30 CHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000789586731 1130260988 /nfs/dbraw/zinc/26/09/88/1130260988.db2.gz OCTQEGHSBGMBBS-IXDOHACOSA-N 1 1 299.462 3.903 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(C)c2C)cc1 ZINC001240385465 1130284923 /nfs/dbraw/zinc/28/49/23/1130284923.db2.gz UHOIAAXABDACCO-GOSISDBHSA-N 1 1 281.403 3.718 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000826862018 1130297714 /nfs/dbraw/zinc/29/77/14/1130297714.db2.gz RDAKLVQWWWFITR-KRWDZBQOSA-N 1 1 297.446 3.803 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1F ZINC000791566622 1130385323 /nfs/dbraw/zinc/38/53/23/1130385323.db2.gz BHVXZFIKNGKPKT-IBGZPJMESA-N 1 1 299.389 3.937 20 30 CHEDMO C=CC[N@H+](Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000792162538 1130434435 /nfs/dbraw/zinc/43/44/35/1130434435.db2.gz KSISAUAWQMEDDB-UHFFFAOYSA-N 1 1 257.736 3.581 20 30 CHEDMO C=CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000792162538 1130434437 /nfs/dbraw/zinc/43/44/37/1130434437.db2.gz KSISAUAWQMEDDB-UHFFFAOYSA-N 1 1 257.736 3.581 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000792193727 1130437646 /nfs/dbraw/zinc/43/76/46/1130437646.db2.gz ZBISWEWKGMTKTD-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000792193727 1130437650 /nfs/dbraw/zinc/43/76/50/1130437650.db2.gz ZBISWEWKGMTKTD-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCO[C@@H](CC)C1 ZINC001170233521 1130463780 /nfs/dbraw/zinc/46/37/80/1130463780.db2.gz GROOPRBRDJAKDN-SJORKVTESA-N 1 1 259.393 3.632 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N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](F)CC1 ZINC001143716553 1131525518 /nfs/dbraw/zinc/52/55/18/1131525518.db2.gz QTHVDSMHBXPEPN-GFCCVEGCSA-N 1 1 266.747 3.536 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001143716553 1131525521 /nfs/dbraw/zinc/52/55/21/1131525521.db2.gz QTHVDSMHBXPEPN-GFCCVEGCSA-N 1 1 266.747 3.536 20 30 CHEDMO C=CC[N@@H+](Cc1cnn(-c2ccccc2)c1)C(C)(C)C ZINC001138603130 1131525878 /nfs/dbraw/zinc/52/58/78/1131525878.db2.gz FHLQNJMFPDLRTA-UHFFFAOYSA-N 1 1 269.392 3.659 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)[C@@H](C)C1 ZINC001143726131 1131527767 /nfs/dbraw/zinc/52/77/67/1131527767.db2.gz HHDUIJUWMAOJFQ-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)[C@@H](C)C1 ZINC001143726131 1131527773 /nfs/dbraw/zinc/52/77/73/1131527773.db2.gz HHDUIJUWMAOJFQ-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143723743 1131528032 /nfs/dbraw/zinc/52/80/32/1131528032.db2.gz SNBKBWSESMHCEU-LBPRGKRZSA-N 1 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FAYBZDZWXYQJPP-QGZVFWFLSA-N 1 1 287.403 3.585 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC[C@@H]1C(C)=O ZINC001138665010 1131533939 /nfs/dbraw/zinc/53/39/39/1131533939.db2.gz FAYBZDZWXYQJPP-QGZVFWFLSA-N 1 1 287.403 3.585 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001138666957 1131534738 /nfs/dbraw/zinc/53/47/38/1131534738.db2.gz JFOAHSFYLXIQAH-NVXWUHKLSA-N 1 1 289.419 3.641 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001138665890 1131534892 /nfs/dbraw/zinc/53/48/92/1131534892.db2.gz ZQAFNVDTSZEAQG-OAHLLOKOSA-N 1 1 277.383 3.823 20 30 CHEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1C ZINC001138730158 1131543723 /nfs/dbraw/zinc/54/37/23/1131543723.db2.gz ZJNGIYYJTXJRLM-INIZCTEOSA-N 1 1 286.419 3.746 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc2ccnn21 ZINC001138806875 1131551264 /nfs/dbraw/zinc/55/12/64/1131551264.db2.gz VCXGZEGUCLPNOQ-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc2ccnn21 ZINC001138805944 1131551325 /nfs/dbraw/zinc/55/13/25/1131551325.db2.gz IPXOKDWSNBCXHV-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001139030218 1131574614 /nfs/dbraw/zinc/57/46/14/1131574614.db2.gz HNESBJDFDNLPLN-HNNXBMFYSA-N 1 1 259.393 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC001139029361 1131574965 /nfs/dbraw/zinc/57/49/65/1131574965.db2.gz VQDVJBFYZZELMK-OAHLLOKOSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H]1CCOC ZINC001139029705 1131575115 /nfs/dbraw/zinc/57/51/15/1131575115.db2.gz HVUYVODRVWROPP-KRWDZBQOSA-N 1 1 289.419 3.642 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001144084443 1131581625 /nfs/dbraw/zinc/58/16/25/1131581625.db2.gz DEMCPGTYBCGEBI-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001144084443 1131581628 /nfs/dbraw/zinc/58/16/28/1131581628.db2.gz DEMCPGTYBCGEBI-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001144080090 1131581781 /nfs/dbraw/zinc/58/17/81/1131581781.db2.gz VCQRYVUOQAJLGC-UHFFFAOYSA-N 1 1 277.371 3.532 20 30 CHEDMO C=C[C@@H](C)O[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000844620785 1131586171 /nfs/dbraw/zinc/58/61/71/1131586171.db2.gz POMOBYJTTXIMHC-SECBINFHSA-N 1 1 252.745 3.627 20 30 CHEDMO C#CC[N@H+](C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001139199777 1131595544 /nfs/dbraw/zinc/59/55/44/1131595544.db2.gz LEWSQZPBURSCRM-UHFFFAOYSA-N 1 1 274.367 3.900 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc2nonc2c1 ZINC001139221708 1131599140 /nfs/dbraw/zinc/59/91/40/1131599140.db2.gz RIEQDWXIUWJCTE-UHFFFAOYSA-N 1 1 261.369 3.625 20 30 CHEDMO CCCC[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400337 1131606927 /nfs/dbraw/zinc/60/69/27/1131606927.db2.gz OTFBBZGUURVIQG-UHFFFAOYSA-N 1 1 279.387 3.852 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC001139421631 1131607739 /nfs/dbraw/zinc/60/77/39/1131607739.db2.gz VZZKAAYUDRCZGT-UHFFFAOYSA-N 1 1 286.423 3.670 20 30 CHEDMO CC(C)[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423936 1131607905 /nfs/dbraw/zinc/60/79/05/1131607905.db2.gz LGENONQSMABYFR-UHFFFAOYSA-N 1 1 281.359 3.586 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC001171155979 1131609118 /nfs/dbraw/zinc/60/91/18/1131609118.db2.gz KNFAJHCETQEPIL-INIZCTEOSA-N 1 1 273.807 3.814 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(C(=O)OC)cn1 ZINC001139495501 1131611458 /nfs/dbraw/zinc/61/14/58/1131611458.db2.gz UIGLGHAAKNAULH-UHFFFAOYSA-N 1 1 292.423 3.661 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC001139527062 1131613853 /nfs/dbraw/zinc/61/38/53/1131613853.db2.gz VDJGHWKQXLJFPD-OLZOCXBDSA-N 1 1 260.356 3.565 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc[nH]c1C(=O)OCC ZINC001144334640 1131618154 /nfs/dbraw/zinc/61/81/54/1131618154.db2.gz WEAYCEBBVUFVHJ-UHFFFAOYSA-N 1 1 280.412 3.594 20 30 CHEDMO CCC(CC)[N@@H+](C)Cc1cccc(Cl)c1C#N ZINC001139691648 1131628801 /nfs/dbraw/zinc/62/88/01/1131628801.db2.gz CPKSXNUBTMPOBC-UHFFFAOYSA-N 1 1 250.773 3.832 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139691023 1131629185 /nfs/dbraw/zinc/62/91/85/1131629185.db2.gz PGLLKMSMIPWLKC-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cn2ccncc2n1 ZINC001139697175 1131629803 /nfs/dbraw/zinc/62/98/03/1131629803.db2.gz FYGAPTXKFOPDML-UHFFFAOYSA-N 1 1 274.412 3.522 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139706450 1131630849 /nfs/dbraw/zinc/63/08/49/1131630849.db2.gz UKEWHQNYZGUEAQ-CYBMUJFWSA-N 1 1 267.376 3.662 20 30 CHEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C)c(C#N)c1 ZINC001139726113 1131632114 /nfs/dbraw/zinc/63/21/14/1131632114.db2.gz SKAIKRZGBQCGLP-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)cc1C#N ZINC001139725847 1131632621 /nfs/dbraw/zinc/63/26/21/1131632621.db2.gz GIVDEQMKZHFFQW-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)cc1C#N ZINC001139725847 1131632625 /nfs/dbraw/zinc/63/26/25/1131632625.db2.gz GIVDEQMKZHFFQW-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)cn1 ZINC001139768266 1131635734 /nfs/dbraw/zinc/63/57/34/1131635734.db2.gz LUTZAMZCUNSOQT-SFHVURJKSA-N 1 1 281.403 3.715 20 30 CHEDMO C#CC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000792434053 1131635854 /nfs/dbraw/zinc/63/58/54/1131635854.db2.gz YTEKGYUUYIUBBO-UHFFFAOYSA-N 1 1 273.685 3.571 20 30 CHEDMO C=CCn1cc(C[N@H+](C)C(C)(C)Cc2ccccc2)cn1 ZINC001139771384 1131636482 /nfs/dbraw/zinc/63/64/82/1131636482.db2.gz YJSSCVGPKITTCD-UHFFFAOYSA-N 1 1 283.419 3.522 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccccc1C(F)F ZINC001139799639 1131638101 /nfs/dbraw/zinc/63/81/01/1131638101.db2.gz VHQPGZCAFJNROJ-UHFFFAOYSA-N 1 1 252.308 3.750 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccccc2C(F)F)C1 ZINC001139798888 1131638254 /nfs/dbraw/zinc/63/82/54/1131638254.db2.gz HAKCOAQUTCPENM-GFCCVEGCSA-N 1 1 264.319 3.750 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCCC1(F)F ZINC001171189663 1131639651 /nfs/dbraw/zinc/63/96/51/1131639651.db2.gz ISZPRWJHBWHAJR-DOMZBBRYSA-N 1 1 278.346 3.657 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCCc3ccc(OC)cc3C2)cc1 ZINC001144578904 1131660942 /nfs/dbraw/zinc/66/09/42/1131660942.db2.gz SPTPPFJAUAXCNA-UHFFFAOYSA-N 1 1 291.394 3.625 20 30 CHEDMO C#Cc1ccc(C[N@@H+](C)C/C=C/c2ccccc2)cc1 ZINC001144576184 1131662168 /nfs/dbraw/zinc/66/21/68/1131662168.db2.gz DUSYHLSVUFUGPC-JXMROGBWSA-N 1 1 261.368 3.813 20 30 CHEDMO CCC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)CC(C)C ZINC001140117460 1131665149 /nfs/dbraw/zinc/66/51/49/1131665149.db2.gz RKQSROXUTVFWKG-UHFFFAOYSA-N 1 1 269.392 3.908 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C(C)(C)C ZINC001140116756 1131665200 /nfs/dbraw/zinc/66/52/00/1131665200.db2.gz GPJXYBYTHGERRH-UHFFFAOYSA-N 1 1 267.376 3.826 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)c2c1 ZINC001140110939 1131665555 /nfs/dbraw/zinc/66/55/55/1131665555.db2.gz VJYOHXFYRZJZBC-CABCVRRESA-N 1 1 279.387 3.662 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001171202801 1131671160 /nfs/dbraw/zinc/67/11/60/1131671160.db2.gz GTMIWRDTVVNIRY-WFASDCNBSA-N 1 1 296.336 3.558 20 30 CHEDMO Cc1cccc2c1C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171203656 1131673589 /nfs/dbraw/zinc/67/35/89/1131673589.db2.gz OITVQLIZSMOFMY-OAHLLOKOSA-N 1 1 276.383 3.814 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC(F)(F)CC1 ZINC001171204445 1131678541 /nfs/dbraw/zinc/67/85/41/1131678541.db2.gz XZQZZABQGAJMBD-CYBMUJFWSA-N 1 1 278.346 3.610 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(O)cccc1Cl ZINC001140341961 1131703615 /nfs/dbraw/zinc/70/36/15/1131703615.db2.gz NBLQMHXTGSTFJD-UHFFFAOYSA-N 1 1 253.773 3.834 20 30 CHEDMO Cc1ccccc1C[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221835 1131707064 /nfs/dbraw/zinc/70/70/64/1131707064.db2.gz VUNDRZIBWCLPHJ-INIZCTEOSA-N 1 1 278.399 3.930 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140387617 1131710668 /nfs/dbraw/zinc/71/06/68/1131710668.db2.gz SJAQKLLRJGERES-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC2(CCC2)C1 ZINC001171232426 1131716360 /nfs/dbraw/zinc/71/63/60/1131716360.db2.gz RZPJYHWIPWNMPB-HNNXBMFYSA-N 1 1 268.404 3.755 20 30 CHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC001171239491 1131717509 /nfs/dbraw/zinc/71/75/09/1131717509.db2.gz AMBKVFHFDMUCHV-LBPRGKRZSA-N 1 1 265.784 3.582 20 30 CHEDMO CCCCCCCC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000772948012 1131718532 /nfs/dbraw/zinc/71/85/32/1131718532.db2.gz DHVCHRFBBCZGDN-CVEARBPZSA-N 1 1 254.462 3.667 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000847023757 1131771830 /nfs/dbraw/zinc/77/18/30/1131771830.db2.gz FMNGPHBROHSVFQ-OLZOCXBDSA-N 1 1 279.330 3.694 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000847025193 1131771939 /nfs/dbraw/zinc/77/19/39/1131771939.db2.gz VJSLXLDPRKKNJD-OAHLLOKOSA-N 1 1 296.439 3.579 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000847025193 1131771942 /nfs/dbraw/zinc/77/19/42/1131771942.db2.gz VJSLXLDPRKKNJD-OAHLLOKOSA-N 1 1 296.439 3.579 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CCc3ccccc31)C2 ZINC000847043161 1131775874 /nfs/dbraw/zinc/77/58/74/1131775874.db2.gz ALZFGZWRCLRCTF-QGZVFWFLSA-N 1 1 274.367 3.604 20 30 CHEDMO N#Cc1ccc(C2([NH2+]Cc3cccnc3Cl)CCC2)cc1 ZINC000847055018 1131778225 /nfs/dbraw/zinc/77/82/25/1131778225.db2.gz WGPMQFGESUOPKX-UHFFFAOYSA-N 1 1 297.789 3.776 20 30 CHEDMO C=C(C)C[C@H](Oc1cc2c(cc1OC)CC[NH+]=C2)C(=C)C ZINC001228092657 1131807747 /nfs/dbraw/zinc/80/77/47/1131807747.db2.gz SVOPDSJUTYUGJR-INIZCTEOSA-N 1 1 285.387 3.960 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(OC(F)F)c(O)c1 ZINC001140629765 1131835215 /nfs/dbraw/zinc/83/52/15/1131835215.db2.gz HYROTUCDLCUXBC-UHFFFAOYSA-N 1 1 285.334 3.782 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c2ccncc12 ZINC001140803099 1131925730 /nfs/dbraw/zinc/92/57/30/1131925730.db2.gz KPFIWAYMXZBURW-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1cnc2cc[nH]cc1-2 ZINC001140803099 1131925735 /nfs/dbraw/zinc/92/57/35/1131925735.db2.gz KPFIWAYMXZBURW-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc2cc[nH]cc1-2 ZINC001140803099 1131925737 /nfs/dbraw/zinc/92/57/37/1131925737.db2.gz KPFIWAYMXZBURW-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CC(C)OC1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140811427 1131931855 /nfs/dbraw/zinc/93/18/55/1131931855.db2.gz SNLHPMSATGOLKM-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140811343 1131933016 /nfs/dbraw/zinc/93/30/16/1131933016.db2.gz PTDNTRZTSADGFR-HNNXBMFYSA-N 1 1 292.810 3.603 20 30 CHEDMO CCCOC1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140811291 1131933367 /nfs/dbraw/zinc/93/33/67/1131933367.db2.gz NUZXEWBMCQWPIX-UHFFFAOYSA-N 1 1 292.810 3.603 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1Cl ZINC001140809793 1131933440 /nfs/dbraw/zinc/93/34/40/1131933440.db2.gz HXOGDRFQVIBMIL-WFASDCNBSA-N 1 1 274.795 3.976 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1Cl ZINC001140814945 1131934094 /nfs/dbraw/zinc/93/40/94/1131934094.db2.gz VJOXVWZSXXSGRE-UHFFFAOYSA-N 1 1 295.773 3.715 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1Cl ZINC001140814945 1131934097 /nfs/dbraw/zinc/93/40/97/1131934097.db2.gz VJOXVWZSXXSGRE-UHFFFAOYSA-N 1 1 295.773 3.715 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171380245 1131940338 /nfs/dbraw/zinc/94/03/38/1131940338.db2.gz KTYIIHXKSMFMMB-HNNXBMFYSA-N 1 1 292.373 3.838 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc(F)c1 ZINC001171400552 1131969445 /nfs/dbraw/zinc/96/94/45/1131969445.db2.gz ZEXWZEMMUUKBDX-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141000371 1131981440 /nfs/dbraw/zinc/98/14/40/1131981440.db2.gz BRNWJDHWZRBBTR-AWEZNQCLSA-N 1 1 297.427 3.936 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc2cccc(O)c2n1)C1CCCC1 ZINC001141023119 1131987562 /nfs/dbraw/zinc/98/75/62/1131987562.db2.gz FTBXDAVLQVYXPP-UHFFFAOYSA-N 1 1 295.386 3.599 20 30 CHEDMO N#CCC[N@H+](Cc1ccc2cccc(O)c2n1)C1CCCC1 ZINC001141023119 1131987568 /nfs/dbraw/zinc/98/75/68/1131987568.db2.gz FTBXDAVLQVYXPP-UHFFFAOYSA-N 1 1 295.386 3.599 20 30 CHEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228994628 1131994864 /nfs/dbraw/zinc/99/48/64/1131994864.db2.gz DSRZCPWDTMFHBV-OAHLLOKOSA-N 1 1 286.419 3.717 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2c(F)cccc2C1 ZINC001171442482 1132018780 /nfs/dbraw/zinc/01/87/80/1132018780.db2.gz PTFODQQUSGKPDF-KRWDZBQOSA-N 1 1 294.373 3.687 20 30 CHEDMO C#CC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001141108400 1132019014 /nfs/dbraw/zinc/01/90/14/1132019014.db2.gz UPTKSMKNEZESAK-UHFFFAOYSA-N 1 1 295.226 3.789 20 30 CHEDMO C#CC[N@H+](C)Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001141108400 1132019021 /nfs/dbraw/zinc/01/90/21/1132019021.db2.gz UPTKSMKNEZESAK-UHFFFAOYSA-N 1 1 295.226 3.789 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(O)c(OC)c(OC)c1 ZINC001141171523 1132034523 /nfs/dbraw/zinc/03/45/23/1132034523.db2.gz BBKIPIHJEBTQDU-UHFFFAOYSA-N 1 1 295.423 3.812 20 30 CHEDMO C=CC[N@H+](C)Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141207881 1132044066 /nfs/dbraw/zinc/04/40/66/1132044066.db2.gz SJLWAVRPMITOSJ-UHFFFAOYSA-N 1 1 256.324 3.506 20 30 CHEDMO CCc1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001141224457 1132047192 /nfs/dbraw/zinc/04/71/92/1132047192.db2.gz WRXBDABOVUEXOD-UHFFFAOYSA-N 1 1 276.383 3.679 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(C)c1 ZINC001141254564 1132060935 /nfs/dbraw/zinc/06/09/35/1132060935.db2.gz VRFRLYLDQIRDOM-UHFFFAOYSA-N 1 1 279.383 3.639 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001171631186 1132060978 /nfs/dbraw/zinc/06/09/78/1132060978.db2.gz ITPBUFBNBKWOTD-SFHVURJKSA-N 1 1 298.430 3.982 20 30 CHEDMO CCC[N@@H+](Cc1cc(C#N)ccc1Br)C(C)C ZINC001171598749 1132063422 /nfs/dbraw/zinc/06/34/22/1132063422.db2.gz KIUNITBHZJXAAR-UHFFFAOYSA-N 1 1 295.224 3.941 20 30 CHEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@H](F)C3)cc2)cc1 ZINC001141289267 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C=CCn1cc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)nn1 ZINC000424296529 330336150 /nfs/dbraw/zinc/33/61/50/330336150.db2.gz OYCMWCDDHCQVRF-OAHLLOKOSA-N 1 1 298.434 3.513 20 30 CHEDMO C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)c1cccc(C#N)c1 ZINC000424328892 330341747 /nfs/dbraw/zinc/34/17/47/330341747.db2.gz RDQRLXRZROECEK-KKXDTOCCSA-N 1 1 280.346 3.846 20 30 CHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000538514739 330367873 /nfs/dbraw/zinc/36/78/73/330367873.db2.gz PQYPIPGIRCNIHU-HNNXBMFYSA-N 1 1 288.435 3.745 20 30 CHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCSCC#N ZINC000120844588 330392995 /nfs/dbraw/zinc/39/29/95/330392995.db2.gz FDHWPVWDEMOGOW-KBPBESRZSA-N 1 1 254.443 3.534 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000537048659 330394752 /nfs/dbraw/zinc/39/47/52/330394752.db2.gz WBWQIBALIXSTQX-OLZOCXBDSA-N 1 1 279.346 3.775 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cncc(F)c1 ZINC000439416030 330738079 /nfs/dbraw/zinc/73/80/79/330738079.db2.gz 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N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000459297662 331274989 /nfs/dbraw/zinc/27/49/89/331274989.db2.gz RPZYVBLGKQXKNB-CJNGLKHVSA-N 1 1 299.374 3.621 20 30 CHEDMO N#CC1(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459576877 331288891 /nfs/dbraw/zinc/28/88/91/331288891.db2.gz LIKMLVKMWLZQIA-INIZCTEOSA-N 1 1 266.388 3.907 20 30 CHEDMO N#CC1(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459576877 331288892 /nfs/dbraw/zinc/28/88/92/331288892.db2.gz LIKMLVKMWLZQIA-INIZCTEOSA-N 1 1 266.388 3.907 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459759421 331298825 /nfs/dbraw/zinc/29/88/25/331298825.db2.gz JAYNZPJMBAMAFN-UHFFFAOYSA-N 1 1 262.784 3.986 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459759421 331298826 /nfs/dbraw/zinc/29/88/26/331298826.db2.gz JAYNZPJMBAMAFN-UHFFFAOYSA-N 1 1 262.784 3.986 20 30 CHEDMO CC#CCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000462337041 331319935 /nfs/dbraw/zinc/31/99/35/331319935.db2.gz RPBBZGSJMOQSCN-OAHLLOKOSA-N 1 1 291.822 3.844 20 30 CHEDMO C[C@@H](CNc1c(Cl)cccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000462781263 331328718 /nfs/dbraw/zinc/32/87/18/331328718.db2.gz XRXBBBGOASOSCL-OLZOCXBDSA-N 1 1 291.826 3.744 20 30 CHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(Cl)ccc1C#N ZINC000463069737 331339243 /nfs/dbraw/zinc/33/92/43/331339243.db2.gz MCNKCEAVIWSZAY-HNNXBMFYSA-N 1 1 291.826 3.522 20 30 CHEDMO CCC[C@]1(C)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000464843665 331370236 /nfs/dbraw/zinc/37/02/36/331370236.db2.gz XLXPSOPJUDAGRQ-QGZVFWFLSA-N 1 1 256.393 3.960 20 30 CHEDMO C=CCCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000488440310 332008642 /nfs/dbraw/zinc/00/86/42/332008642.db2.gz PSIDOWQQNDHBIJ-SJORKVTESA-N 1 1 264.457 3.680 20 30 CHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000488452885 332010643 /nfs/dbraw/zinc/01/06/43/332010643.db2.gz GXLSDUGVPRLESL-AWEZNQCLSA-N 1 1 282.362 3.760 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000489083655 332041047 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ZINC000489492670 332056523 /nfs/dbraw/zinc/05/65/23/332056523.db2.gz GIPMHVLTFAXVDV-ZDUSSCGKSA-N 1 1 293.208 3.551 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000489503943 332057264 /nfs/dbraw/zinc/05/72/64/332057264.db2.gz ZSBWYXVIEXKXIV-CQSZACIVSA-N 1 1 290.382 3.503 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000489503942 332057394 /nfs/dbraw/zinc/05/73/94/332057394.db2.gz ZSBWYXVIEXKXIV-AWEZNQCLSA-N 1 1 290.382 3.503 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000489507671 332057637 /nfs/dbraw/zinc/05/76/37/332057637.db2.gz IRNCJFSWSLQXIJ-MRXNPFEDSA-N 1 1 259.393 3.886 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000489564289 332059330 /nfs/dbraw/zinc/05/93/30/332059330.db2.gz FWXCOXMPXKLYBR-LJQANCHMSA-N 1 1 294.373 3.904 20 30 CHEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000490100471 332081394 /nfs/dbraw/zinc/08/13/94/332081394.db2.gz IKFXIHOENIUHKG-MRXNPFEDSA-N 1 1 292.467 3.502 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491182499 332162027 /nfs/dbraw/zinc/16/20/27/332162027.db2.gz LASUVDPKCBMLFT-FUHWJXTLSA-N 1 1 273.420 3.532 20 30 CHEDMO C=CC[N@@H+](CCCc1cccc(OC)c1)CCc1ccco1 ZINC000491258235 332175744 /nfs/dbraw/zinc/17/57/44/332175744.db2.gz CIQAHKJKABEYAG-UHFFFAOYSA-N 1 1 299.414 3.952 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1 ZINC000491628529 332251653 /nfs/dbraw/zinc/25/16/53/332251653.db2.gz KTKRLLUYYVAKJC-INIZCTEOSA-N 1 1 295.773 3.680 20 30 CHEDMO CC(C)([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000553277659 334373316 /nfs/dbraw/zinc/37/33/16/334373316.db2.gz SJEOKSMLTSCNBN-UHFFFAOYSA-N 1 1 282.309 3.834 20 30 CHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000553708784 334396251 /nfs/dbraw/zinc/39/62/51/334396251.db2.gz NBROWCCFCCPADN-INIZCTEOSA-N 1 1 286.419 3.642 20 30 CHEDMO C=CC[NH+](CC=C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000505906462 332757378 /nfs/dbraw/zinc/75/73/78/332757378.db2.gz AHQXANQNURHEGL-UHFFFAOYSA-N 1 1 281.403 3.663 20 30 CHEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000307830120 333017664 /nfs/dbraw/zinc/01/76/64/333017664.db2.gz JMKOGLPDAWAFRV-ZDUSSCGKSA-N 1 1 260.356 3.565 20 30 CHEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000513450329 333019974 /nfs/dbraw/zinc/01/99/74/333019974.db2.gz JISBQWQVTDEPGG-KBPBESRZSA-N 1 1 256.393 3.957 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513461065 333020923 /nfs/dbraw/zinc/02/09/23/333020923.db2.gz KCHNHMRZUAVAGN-QGZVFWFLSA-N 1 1 280.346 3.687 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000404771505 333026013 /nfs/dbraw/zinc/02/60/13/333026013.db2.gz WZBOXOBEIHNSMQ-XHDPSFHLSA-N 1 1 284.334 3.704 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCC(F)(F)C1 ZINC000312132300 333077230 /nfs/dbraw/zinc/07/72/30/333077230.db2.gz FGUQTVVTPCVXLR-HNNXBMFYSA-N 1 1 278.346 3.816 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088420220 333088975 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C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCO[C@H](C)C1 ZINC000352741119 526377590 /nfs/dbraw/zinc/37/75/90/526377590.db2.gz WEAGCJJFFIDHBW-ZIAGYGMSSA-N 1 1 265.422 3.551 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000348219985 526567784 /nfs/dbraw/zinc/56/77/84/526567784.db2.gz BOBIJIVWRSQQII-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)s1 ZINC000130256170 526610456 /nfs/dbraw/zinc/61/04/56/526610456.db2.gz WZJDNDWJSDXDHH-UHFFFAOYSA-N 1 1 274.414 3.846 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)s1 ZINC000130256170 526610460 /nfs/dbraw/zinc/61/04/60/526610460.db2.gz WZJDNDWJSDXDHH-UHFFFAOYSA-N 1 1 274.414 3.846 20 30 CHEDMO N#Cc1cccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084137890 526701693 /nfs/dbraw/zinc/70/16/93/526701693.db2.gz AZIBCSQGBDMQED-UHFFFAOYSA-N 1 1 282.309 3.723 20 30 CHEDMO CC(C)(C)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352834933 526779511 /nfs/dbraw/zinc/77/95/11/526779511.db2.gz MJYROSSJGTYGEM-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351957853 526933998 /nfs/dbraw/zinc/93/39/98/526933998.db2.gz IKZLKJZSECGXBZ-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351957853 526934001 /nfs/dbraw/zinc/93/40/01/526934001.db2.gz IKZLKJZSECGXBZ-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccco1 ZINC000353452476 527448662 /nfs/dbraw/zinc/44/86/62/527448662.db2.gz ZNKGPTORXNOPSE-OAHLLOKOSA-N 1 1 285.391 3.538 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccco1 ZINC000353406171 527449079 /nfs/dbraw/zinc/44/90/79/527449079.db2.gz PXDJFTTWZZCHFJ-CQSZACIVSA-N 1 1 260.312 3.611 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1CCCCO1 ZINC000347449547 528749975 /nfs/dbraw/zinc/74/99/75/528749975.db2.gz WZANCBQYKOZORN-INIZCTEOSA-N 1 1 266.429 3.597 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(F)cc1 ZINC000353419235 528750191 /nfs/dbraw/zinc/75/01/91/528750191.db2.gz BOOKDJZPOWSRME-UHFFFAOYSA-N 1 1 262.372 3.978 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(F)cc1 ZINC000353419235 528750194 /nfs/dbraw/zinc/75/01/94/528750194.db2.gz BOOKDJZPOWSRME-UHFFFAOYSA-N 1 1 262.372 3.978 20 30 CHEDMO CC(C)C[N@@H+](CCCC#N)[C@H]1CCCc2cccnc21 ZINC000127057567 1125458555 /nfs/dbraw/zinc/45/85/55/1125458555.db2.gz ZFOYJDYCJSTBFL-INIZCTEOSA-N 1 1 271.408 3.721 20 30 CHEDMO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000185077938 1117758914 /nfs/dbraw/zinc/75/89/14/1117758914.db2.gz CUHGHJTWHLGYSN-AWEZNQCLSA-N 1 1 290.819 3.889 20 30 CHEDMO C#CC[N@@H+](Cc1coc(-c2cccs2)n1)C(C)(C)C ZINC000932465675 1118008840 /nfs/dbraw/zinc/00/88/40/1118008840.db2.gz LIZURXUMURVKAT-UHFFFAOYSA-N 1 1 274.389 3.637 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000307778566 1118442927 /nfs/dbraw/zinc/44/29/27/1118442927.db2.gz ROPOPEXACNHHRL-MRXNPFEDSA-N 1 1 256.393 3.735 20 30 CHEDMO C[N@@H+](CCCc1ccsc1)Cc1cc(C#N)cs1 ZINC000933773833 1118794307 /nfs/dbraw/zinc/79/43/07/1118794307.db2.gz ROZITVPFWWSNCS-UHFFFAOYSA-N 1 1 276.430 3.746 20 30 CHEDMO C=C(C)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000472230144 1119107454 /nfs/dbraw/zinc/10/74/54/1119107454.db2.gz DPMRANNBERNMMX-WBVHZDCISA-N 1 1 259.393 3.641 20 30 CHEDMO C=C(C)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000472230144 1119107455 /nfs/dbraw/zinc/10/74/55/1119107455.db2.gz DPMRANNBERNMMX-WBVHZDCISA-N 1 1 259.393 3.641 20 30 CHEDMO CC[N@H+](CCC#N)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000081040651 1119508461 /nfs/dbraw/zinc/50/84/61/1119508461.db2.gz OSTCQQVSKLNZEE-LLVKDONJSA-N 1 1 268.307 3.585 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000081040651 1119508462 /nfs/dbraw/zinc/50/84/62/1119508462.db2.gz OSTCQQVSKLNZEE-LLVKDONJSA-N 1 1 268.307 3.585 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000472572262 1119963036 /nfs/dbraw/zinc/96/30/36/1119963036.db2.gz AHZASYNWHZWMHD-QZTJIDSGSA-N 1 1 275.436 3.575 20 30 CHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1csc(C#N)c1 ZINC000893479621 1120789120 /nfs/dbraw/zinc/78/91/20/1120789120.db2.gz WYQZYDUSJIDBEY-ONGXEEELSA-N 1 1 288.338 3.783 20 30 CHEDMO Cc1sc(C[NH2+]Cc2cc(C#N)cs2)nc1C(C)C ZINC000344190073 1121116260 /nfs/dbraw/zinc/11/62/60/1121116260.db2.gz ZWIGITQJNSIASP-UHFFFAOYSA-N 1 1 291.445 3.798 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000076068209 1121143913 /nfs/dbraw/zinc/14/39/13/1121143913.db2.gz ZLWIODONMJJDNJ-HOTGVXAUSA-N 1 1 274.433 3.664 20 30 CHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)CCC(F)(F)F ZINC000676715045 1121457976 /nfs/dbraw/zinc/45/79/76/1121457976.db2.gz RMYCKHNRQSMCKI-UHFFFAOYSA-N 1 1 289.728 3.966 20 30 CHEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCC(F)(F)F ZINC000676715045 1121457985 /nfs/dbraw/zinc/45/79/85/1121457985.db2.gz RMYCKHNRQSMCKI-UHFFFAOYSA-N 1 1 289.728 3.966 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC(C)(C)C2)cc1 ZINC000614168792 1121500699 /nfs/dbraw/zinc/50/06/99/1121500699.db2.gz UVEVJVDZPXTKMR-UHFFFAOYSA-N 1 1 256.393 3.720 20 30 CHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001176063161 1121545967 /nfs/dbraw/zinc/54/59/67/1121545967.db2.gz XAPCMDGPUUYUKC-INIZCTEOSA-N 1 1 265.441 3.892 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC000397660457 1121692450 /nfs/dbraw/zinc/69/24/50/1121692450.db2.gz CKPRPQKPPQVJQN-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000397755886 1121695283 /nfs/dbraw/zinc/69/52/83/1121695283.db2.gz QKPQSYHEJBLTAS-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000397755886 1121695288 /nfs/dbraw/zinc/69/52/88/1121695288.db2.gz QKPQSYHEJBLTAS-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO C=CC[N@H+](CCC#N)C[C@H](c1ccccc1)C(C)C ZINC000430098817 1122404681 /nfs/dbraw/zinc/40/46/81/1122404681.db2.gz WWXYYVRTYOSSFH-KRWDZBQOSA-N 1 1 256.393 3.828 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000505604266 1122433272 /nfs/dbraw/zinc/43/32/72/1122433272.db2.gz FAVRGICJPXJEQX-UHFFFAOYSA-N 1 1 270.401 3.814 20 30 CHEDMO CCCCCCCC[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC001193273740 1122683462 /nfs/dbraw/zinc/68/34/62/1122683462.db2.gz WFDKKLPAJRWOQF-OAHLLOKOSA-N 1 1 269.429 3.765 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc2ccccc21 ZINC001193921458 1122730039 /nfs/dbraw/zinc/73/00/39/1122730039.db2.gz XIFXNZCCAAMVPG-LBPRGKRZSA-N 1 1 257.764 3.947 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000440368730 1122842251 /nfs/dbraw/zinc/84/22/51/1122842251.db2.gz UJDVPDJXINHUFL-AWEZNQCLSA-N 1 1 279.424 3.641 20 30 CHEDMO N#CC1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000850390309 1123261708 /nfs/dbraw/zinc/26/17/08/1123261708.db2.gz DUVGKCWOYFNRHD-UHFFFAOYSA-N 1 1 278.783 3.609 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000191065486 1123362982 /nfs/dbraw/zinc/36/29/82/1123362982.db2.gz URTSHAHDKOZTKG-NSHDSACASA-N 1 1 270.298 3.748 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443638683 1123455255 /nfs/dbraw/zinc/45/52/55/1123455255.db2.gz DZXHKWAJYWAAQC-CYBMUJFWSA-N 1 1 265.784 3.759 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2cnn(C=C)c2)CCCC1(C)C ZINC000446832439 1124124848 /nfs/dbraw/zinc/12/48/48/1124124848.db2.gz OTENFCNQRJJLNX-HNNXBMFYSA-N 1 1 259.397 3.550 20 30 CHEDMO Cc1[nH+]ccn1CCCSc1ccc(C)cc1C#N ZINC000871687347 1124626025 /nfs/dbraw/zinc/62/60/25/1124626025.db2.gz ZKTRLFHINHHBCG-UHFFFAOYSA-N 1 1 271.389 3.554 20 30 CHEDMO CC[C@@H]1CCCC[C@H]1C=[NH+]n1c(SC)nnc1SC ZINC000872417547 1124714009 /nfs/dbraw/zinc/71/40/09/1124714009.db2.gz DRKWPXKWBTXOQP-MNOVXSKESA-N 1 1 298.481 3.772 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000876617365 1124967208 /nfs/dbraw/zinc/96/72/08/1124967208.db2.gz LYIOVXMMKZHUNI-VIFPVBQESA-N 1 1 279.796 3.541 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000876617365 1124967213 /nfs/dbraw/zinc/96/72/13/1124967213.db2.gz LYIOVXMMKZHUNI-VIFPVBQESA-N 1 1 279.796 3.541 20 30 CHEDMO CC(C)(C)Oc1cccc(C[NH2+]CC(C)(C)C#N)c1 ZINC000877322708 1125022999 /nfs/dbraw/zinc/02/29/99/1125022999.db2.gz BXECXHLERYSGHC-UHFFFAOYSA-N 1 1 260.381 3.503 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000877543248 1125042017 /nfs/dbraw/zinc/04/20/17/1125042017.db2.gz AXWLRBIBUBLVPW-UONOGXRCSA-N 1 1 255.352 3.547 20 30 CHEDMO C=CC[N@H+](Cc1cc(Br)c(C)cn1)C(C)(C)C ZINC001143667828 1131521901 /nfs/dbraw/zinc/52/19/01/1131521901.db2.gz AUEQWACJDOKDMC-UHFFFAOYSA-N 1 1 297.240 3.939 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832390183 1131557021 /nfs/dbraw/zinc/55/70/21/1131557021.db2.gz QXQDTVYJNGHHMJ-UHFFFAOYSA-N 1 1 282.453 3.549 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832390183 1131557024 /nfs/dbraw/zinc/55/70/24/1131557024.db2.gz QXQDTVYJNGHHMJ-UHFFFAOYSA-N 1 1 282.453 3.549 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000773005120 1131915264 /nfs/dbraw/zinc/91/52/64/1131915264.db2.gz OJEGIQVMHVWOMM-ZDUSSCGKSA-N 1 1 251.757 3.551 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114502 1132021902 /nfs/dbraw/zinc/02/19/02/1132021902.db2.gz QZQFWSDPQDEAOQ-SECBINFHSA-N 1 1 283.828 3.620 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+]C(C)(C)C(=O)OC ZINC001172347443 1132180729 /nfs/dbraw/zinc/18/07/29/1132180729.db2.gz UWYMQVCFXVUWIW-ZDUSSCGKSA-N 1 1 257.418 3.667 20 30 CHEDMO C=CC[N@H+]([C@H](C)CCC(=O)OC(C)C)C1CCCCC1 ZINC001172763038 1132311638 /nfs/dbraw/zinc/31/16/38/1132311638.db2.gz SUAQLPXDYLIICA-OAHLLOKOSA-N 1 1 281.440 3.927 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC001142624756 1132414631 /nfs/dbraw/zinc/41/46/31/1132414631.db2.gz IJRBFEWJGCSIPC-UHFFFAOYSA-N 1 1 281.396 3.859 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ncccc1OC ZINC001206637884 1133730574 /nfs/dbraw/zinc/73/05/74/1133730574.db2.gz TYNNFYWOSILYJC-UHFFFAOYSA-N 1 1 264.413 3.883 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001208120464 1133881411 /nfs/dbraw/zinc/88/14/11/1133881411.db2.gz QEYDERPDKHLGCL-XVJNWHFHSA-N 1 1 289.410 3.853 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208860852 1133955158 /nfs/dbraw/zinc/95/51/58/1133955158.db2.gz ULXUHMFSPLIUQU-OAHLLOKOSA-N 1 1 256.393 3.613 20 30 CHEDMO C=CC[N@H+](CCc1cc(F)cc(F)c1)C(C)(C)C ZINC001209131864 1133978963 /nfs/dbraw/zinc/97/89/63/1133978963.db2.gz DHKHVKTYXIJUCM-UHFFFAOYSA-N 1 1 253.336 3.794 20 30 CHEDMO C=CCCCCCCCC[N@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001209443540 1134023001 /nfs/dbraw/zinc/02/30/01/1134023001.db2.gz UXUABHCERWFDQR-GJZGRUSLSA-N 1 1 257.393 3.572 20 30 CHEDMO Cc1occc1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000118532708 1125523405 /nfs/dbraw/zinc/52/34/05/1125523405.db2.gz SPBRUTQLVRAHNQ-LBPRGKRZSA-N 1 1 254.333 3.653 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)s1 ZINC000120000002 1125540492 /nfs/dbraw/zinc/54/04/92/1125540492.db2.gz ZTBOHGDCPRXRKX-UHFFFAOYSA-N 1 1 262.403 3.703 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccc(OC)c1 ZINC000120155998 1125543395 /nfs/dbraw/zinc/54/33/95/1125543395.db2.gz INXSVQYGGSJEND-CYBMUJFWSA-N 1 1 284.359 3.743 20 30 CHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000121010888 1125555190 /nfs/dbraw/zinc/55/51/90/1125555190.db2.gz VYGQESRCHYPRMW-RYUDHWBXSA-N 1 1 295.308 3.800 20 30 CHEDMO CC[C@@](C)([NH2+]Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000121405369 1125561373 /nfs/dbraw/zinc/56/13/73/1125561373.db2.gz AEIZOHZHYMIIRO-OAHLLOKOSA-N 1 1 289.379 3.569 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000134725188 1125566995 /nfs/dbraw/zinc/56/69/95/1125566995.db2.gz FYRFHMHMIXLVLW-KRWDZBQOSA-N 1 1 286.419 3.982 20 30 CHEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCCCC#N ZINC000533387666 1125605033 /nfs/dbraw/zinc/60/50/33/1125605033.db2.gz KMMYRFXNJQXLMR-QGZVFWFLSA-N 1 1 296.418 3.794 20 30 CHEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000533426262 1125605856 /nfs/dbraw/zinc/60/58/56/1125605856.db2.gz GTYRMSRXFFRHGV-UHFFFAOYSA-N 1 1 274.408 3.693 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000533437361 1125607781 /nfs/dbraw/zinc/60/77/81/1125607781.db2.gz IZYLKNPCOPETHM-LBPRGKRZSA-N 1 1 280.799 3.565 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066897671 1125623930 /nfs/dbraw/zinc/62/39/30/1125623930.db2.gz XXXSMZDVUHMTGY-QGZVFWFLSA-N 1 1 256.393 3.950 20 30 CHEDMO COc1ccc([C@@H]2CCCCC[N@@H+]2CCC#N)cc1 ZINC000052711740 1125649081 /nfs/dbraw/zinc/64/90/81/1125649081.db2.gz KISLIEDCCKTSJC-INIZCTEOSA-N 1 1 258.365 3.526 20 30 CHEDMO COc1ccc([C@@H]2CCCCC[N@H+]2CCC#N)cc1 ZINC000052711740 1125649085 /nfs/dbraw/zinc/64/90/85/1125649085.db2.gz KISLIEDCCKTSJC-INIZCTEOSA-N 1 1 258.365 3.526 20 30 CHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccccc2)CCC1 ZINC000886136920 1125655288 /nfs/dbraw/zinc/65/52/88/1125655288.db2.gz YYYPACQVFOJYAV-MSOLQXFVSA-N 1 1 298.430 3.658 20 30 CHEDMO N#Cc1csc(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000611254839 1125668693 /nfs/dbraw/zinc/66/86/93/1125668693.db2.gz GGXVRSFOJKNQFM-UHFFFAOYSA-N 1 1 260.406 3.917 20 30 CHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1F ZINC000037493847 1125680144 /nfs/dbraw/zinc/68/01/44/1125680144.db2.gz GJEDZEHLGFMPOI-AWEZNQCLSA-N 1 1 283.346 3.689 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000076735258 1125684537 /nfs/dbraw/zinc/68/45/37/1125684537.db2.gz WPDHOULVVRAKCA-CYBMUJFWSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000886541302 1125686769 /nfs/dbraw/zinc/68/67/69/1125686769.db2.gz TYKSRQJNUBRKQQ-CXAGYDPISA-N 1 1 266.344 3.734 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000886540721 1125687058 /nfs/dbraw/zinc/68/70/58/1125687058.db2.gz JRQVRJVFRBDODD-RDTXWAMCSA-N 1 1 277.371 3.536 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000886540652 1125687100 /nfs/dbraw/zinc/68/71/00/1125687100.db2.gz IVTWPQKFFYYTDO-HOCLYGCPSA-N 1 1 254.377 3.763 20 30 CHEDMO N#CC1(CC[N@H+]2CCC[C@@H](c3ncccn3)C2)CCCCC1 ZINC000886688160 1125708453 /nfs/dbraw/zinc/70/84/53/1125708453.db2.gz LPPLMJCIENPZBK-MRXNPFEDSA-N 1 1 298.434 3.520 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(F)c1F ZINC000121910589 1125719892 /nfs/dbraw/zinc/71/98/92/1125719892.db2.gz 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N#Cc1ccc(F)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161441931 1126815250 /nfs/dbraw/zinc/81/52/50/1126815250.db2.gz IEQSIOFOOHFMPO-JKSUJKDBSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161441931 1126815253 /nfs/dbraw/zinc/81/52/53/1126815253.db2.gz IEQSIOFOOHFMPO-JKSUJKDBSA-N 1 1 290.407 3.557 20 30 CHEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC001255172345 1130545581 /nfs/dbraw/zinc/54/55/81/1130545581.db2.gz NOTICCWNDYPTNS-UKRRQHHQSA-N 1 1 258.365 3.524 20 30 CHEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC001255172345 1130545588 /nfs/dbraw/zinc/54/55/88/1130545588.db2.gz NOTICCWNDYPTNS-UKRRQHHQSA-N 1 1 258.365 3.524 20 30 CHEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001255175942 1130552139 /nfs/dbraw/zinc/55/21/39/1130552139.db2.gz TZKVRYICECSUGD-IRXDYDNUSA-N 1 1 256.393 3.948 20 30 CHEDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000179561306 1126829300 /nfs/dbraw/zinc/82/93/00/1126829300.db2.gz 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C=C(C)[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(F)c(F)c1 ZINC000193302548 1126968795 /nfs/dbraw/zinc/96/87/95/1126968795.db2.gz OGACQYQUZCMARY-BDJLRTHQSA-N 1 1 291.345 3.666 20 30 CHEDMO N#CCSCCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267361999 1126998124 /nfs/dbraw/zinc/99/81/24/1126998124.db2.gz PRJNTHPDTGFTJJ-AWEZNQCLSA-N 1 1 280.824 3.734 20 30 CHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000267568209 1127002392 /nfs/dbraw/zinc/00/23/92/1127002392.db2.gz COKDMZPJSRINJF-OALUTQOASA-N 1 1 295.430 3.775 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487557984 1127034937 /nfs/dbraw/zinc/03/49/37/1127034937.db2.gz LCUXOZWQTOBUHH-UHFFFAOYSA-N 1 1 291.345 3.549 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487557984 1127034939 /nfs/dbraw/zinc/03/49/39/1127034939.db2.gz LCUXOZWQTOBUHH-UHFFFAOYSA-N 1 1 291.345 3.549 20 30 CHEDMO C=CC[N@H+](Cc1cc(OCC)ncc1F)C1CCCCC1 ZINC001238734036 1131239321 /nfs/dbraw/zinc/23/93/21/1131239321.db2.gz IKJXZSYCNKXZMH-UHFFFAOYSA-N 1 1 292.398 3.940 20 30 CHEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487905309 1127047526 /nfs/dbraw/zinc/04/75/26/1127047526.db2.gz GNLAPJLJXMBVEA-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO Cc1cc(F)ccc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000488083883 1127054914 /nfs/dbraw/zinc/05/49/14/1127054914.db2.gz ZNQANVQKSBHECL-UHFFFAOYSA-N 1 1 285.337 3.757 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC000489432626 1127103597 /nfs/dbraw/zinc/10/35/97/1127103597.db2.gz GNXLBCAORBUJKY-ZDUSSCGKSA-N 1 1 265.784 3.889 20 30 CHEDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)ccn1 ZINC000348751132 1127126809 /nfs/dbraw/zinc/12/68/09/1127126809.db2.gz DNCVSEXECJQRNO-NWDGAFQWSA-N 1 1 299.349 3.513 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000349373755 1127149120 /nfs/dbraw/zinc/14/91/20/1127149120.db2.gz OTMGRCFMDLKMBC-INIZCTEOSA-N 1 1 296.418 3.617 20 30 CHEDMO C=CCCC[N@@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284264064 1127179470 /nfs/dbraw/zinc/17/94/70/1127179470.db2.gz XAUNDUGMXWUSPE-ZDUSSCGKSA-N 1 1 271.364 3.696 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284264064 1127179472 /nfs/dbraw/zinc/17/94/72/1127179472.db2.gz XAUNDUGMXWUSPE-ZDUSSCGKSA-N 1 1 271.364 3.696 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(F)cc1F ZINC001237526635 1131111405 /nfs/dbraw/zinc/11/14/05/1131111405.db2.gz CZKDJBUXRJMWRD-SJKOYZFVSA-N 1 1 290.357 3.991 20 30 CHEDMO CCCCCCCC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001274801226 1127185582 /nfs/dbraw/zinc/18/55/82/1127185582.db2.gz AKQDQBSUIBRMTI-JKSUJKDBSA-N 1 1 294.483 3.536 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000351322911 1127188145 /nfs/dbraw/zinc/18/81/45/1127188145.db2.gz DCVFCPWKCLGEHJ-WBVHZDCISA-N 1 1 256.393 3.948 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000351470732 1127188818 /nfs/dbraw/zinc/18/88/18/1127188818.db2.gz FMKIVZLBZIWPPW-RHSMWYFYSA-N 1 1 271.408 3.582 20 30 CHEDMO CC[N@H+](CCC#N)C[C@@H](C)c1cccc(Cl)c1 ZINC000351518157 1127191058 /nfs/dbraw/zinc/19/10/58/1127191058.db2.gz LJFJXYWRWRXIKV-GFCCVEGCSA-N 1 1 250.773 3.679 20 30 CHEDMO CC[N@@H+](CCC#N)C[C@@H](C)c1cccc(Cl)c1 ZINC000351518157 1127191061 /nfs/dbraw/zinc/19/10/61/1127191061.db2.gz LJFJXYWRWRXIKV-GFCCVEGCSA-N 1 1 250.773 3.679 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000588899131 1127203254 /nfs/dbraw/zinc/20/32/54/1127203254.db2.gz VITOLXLNLWHQIZ-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CCOC1CC2(C1)CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000285401162 1127225774 /nfs/dbraw/zinc/22/57/74/1127225774.db2.gz FBYUDUMSHUATLA-RWBZWWBESA-N 1 1 284.403 3.510 20 30 CHEDMO C=CCC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccco1 ZINC000285494545 1127233133 /nfs/dbraw/zinc/23/31/33/1127233133.db2.gz ANZLMDOXXUHDBH-ZIAGYGMSSA-N 1 1 275.348 3.593 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001275114492 1127237617 /nfs/dbraw/zinc/23/76/17/1127237617.db2.gz OBMGCLAKQSGAFX-GOSISDBHSA-N 1 1 294.483 3.537 20 30 CHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCCCCCC)C1=O ZINC001275114168 1127237652 /nfs/dbraw/zinc/23/76/52/1127237652.db2.gz KHUWTMOIQXCYFV-GOSISDBHSA-N 1 1 292.467 3.600 20 30 CHEDMO C=C(C)C[N@H+](CCSCC)Cc1cnn(C(C)C)c1 ZINC000352905789 1127249510 /nfs/dbraw/zinc/24/95/10/1127249510.db2.gz ZMIASRXIRPSSFC-UHFFFAOYSA-N 1 1 281.469 3.595 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1sccc1OC ZINC000352989564 1127256380 /nfs/dbraw/zinc/25/63/80/1127256380.db2.gz MEWARAHWYVTMMY-UHFFFAOYSA-N 1 1 277.389 3.580 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000590715580 1127269099 /nfs/dbraw/zinc/26/90/99/1127269099.db2.gz RNJLFWZUQHWISH-HQWZXOHUSA-N 1 1 254.377 3.716 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC2(CCC2)C1 ZINC000353700589 1127273341 /nfs/dbraw/zinc/27/33/41/1127273341.db2.gz DDVVYPAMMGXENU-UHFFFAOYSA-N 1 1 257.377 3.627 20 30 CHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000590754068 1127270783 /nfs/dbraw/zinc/27/07/83/1127270783.db2.gz WAALGPUYJSJFTR-UHFFFAOYSA-N 1 1 279.387 3.515 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(Cl)c(C#N)c2)CCC1(F)F ZINC001238189663 1131177715 /nfs/dbraw/zinc/17/77/15/1131177715.db2.gz VHEZVFIVHCYQJI-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC1(F)F ZINC001238189663 1131177718 /nfs/dbraw/zinc/17/77/18/1131177718.db2.gz VHEZVFIVHCYQJI-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO Cc1ncsc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353929568 1127279463 /nfs/dbraw/zinc/27/94/63/1127279463.db2.gz DDSKABFRGCHNOG-CVEARBPZSA-N 1 1 297.427 3.723 20 30 CHEDMO Cc1ncsc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353929568 1127279465 /nfs/dbraw/zinc/27/94/65/1127279465.db2.gz DDSKABFRGCHNOG-CVEARBPZSA-N 1 1 297.427 3.723 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000590959824 1127279647 /nfs/dbraw/zinc/27/96/47/1127279647.db2.gz PNFUDXKCHSWBFF-KRWDZBQOSA-N 1 1 254.377 3.690 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000590959824 1127279650 /nfs/dbraw/zinc/27/96/50/1127279650.db2.gz PNFUDXKCHSWBFF-KRWDZBQOSA-N 1 1 254.377 3.690 20 30 CHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000590971075 1127279901 /nfs/dbraw/zinc/27/99/01/1127279901.db2.gz IHLDUYFMCYFFTK-RBUKOAKNSA-N 1 1 291.398 3.721 20 30 CHEDMO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)cc2cccnc12 ZINC000354017753 1127285663 /nfs/dbraw/zinc/28/56/63/1127285663.db2.gz MAIAOXQQDFBUDP-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO Cc1cc(C[N@H+](C)CC(C)(C)C#N)cc2cccnc12 ZINC000354017753 1127285666 /nfs/dbraw/zinc/28/56/66/1127285666.db2.gz MAIAOXQQDFBUDP-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO C#CCC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC000760816962 1127293440 /nfs/dbraw/zinc/29/34/40/1127293440.db2.gz ASGILQRLECXWMD-UHFFFAOYSA-N 1 1 280.209 3.683 20 30 CHEDMO C#CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000760820540 1127293925 /nfs/dbraw/zinc/29/39/25/1127293925.db2.gz QHIRTZDKVRXQJM-UHFFFAOYSA-N 1 1 267.347 3.851 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591267702 1127294429 /nfs/dbraw/zinc/29/44/29/1127294429.db2.gz CBZNTDHTDLMFEC-GOSISDBHSA-N 1 1 298.430 3.991 20 30 CHEDMO C#CCC[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000760817967 1127294981 /nfs/dbraw/zinc/29/49/81/1127294981.db2.gz HCIOYACPKVLAAD-UHFFFAOYSA-N 1 1 259.374 3.675 20 30 CHEDMO C#CCC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000760821597 1127296513 /nfs/dbraw/zinc/29/65/13/1127296513.db2.gz VKVRFYVBLGGHSQ-NSHDSACASA-N 1 1 255.283 3.722 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000591502723 1127305986 /nfs/dbraw/zinc/30/59/86/1127305986.db2.gz RERNALZPHFDCLK-QGZVFWFLSA-N 1 1 254.377 3.690 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000760831638 1127303842 /nfs/dbraw/zinc/30/38/42/1127303842.db2.gz RECYUUGUIOVBFW-AWEZNQCLSA-N 1 1 267.294 3.866 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000591502723 1127305984 /nfs/dbraw/zinc/30/59/84/1127305984.db2.gz RERNALZPHFDCLK-QGZVFWFLSA-N 1 1 254.377 3.690 20 30 CHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000287644368 1127310915 /nfs/dbraw/zinc/31/09/15/1127310915.db2.gz USYAOFJAXBHIKO-MJEQTWJJSA-N 1 1 293.382 3.553 20 30 CHEDMO C#CCC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000760843404 1127311533 /nfs/dbraw/zinc/31/15/33/1127311533.db2.gz JKDCFYKKQJUHTB-UHFFFAOYSA-N 1 1 259.368 3.636 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000760845720 1127311172 /nfs/dbraw/zinc/31/11/72/1127311172.db2.gz ZGEBFFFMTMQRFT-AWEZNQCLSA-N 1 1 278.193 3.609 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1ccccc1C#N ZINC000045943869 1127317098 /nfs/dbraw/zinc/31/70/98/1127317098.db2.gz PZFBHPGWEBHUCV-UHFFFAOYSA-N 1 1 264.372 3.623 20 30 CHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000355204746 1127324786 /nfs/dbraw/zinc/32/47/86/1127324786.db2.gz HXJNNRQIRHQYJN-GJZGRUSLSA-N 1 1 292.448 3.645 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355209039 1127325194 /nfs/dbraw/zinc/32/51/94/1127325194.db2.gz QCRWLZJANUKDFO-QZTJIDSGSA-N 1 1 262.356 3.546 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000355204748 1127325358 /nfs/dbraw/zinc/32/53/58/1127325358.db2.gz HXJNNRQIRHQYJN-LSDHHAIUSA-N 1 1 292.448 3.645 20 30 CHEDMO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046054169 1127327634 /nfs/dbraw/zinc/32/76/34/1127327634.db2.gz BFSWONAKVSYZKF-YJBOKZPZSA-N 1 1 286.419 3.585 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000592061125 1127332582 /nfs/dbraw/zinc/33/25/82/1127332582.db2.gz YCZIZKDBDNFWDF-LJQANCHMSA-N 1 1 291.398 3.550 20 30 CHEDMO N#Cc1cnccc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000592061309 1127332902 /nfs/dbraw/zinc/33/29/02/1127332902.db2.gz HRNHOIMRMAYWAX-UHFFFAOYSA-N 1 1 291.398 3.756 20 30 CHEDMO N#Cc1cnccc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000592061309 1127332905 /nfs/dbraw/zinc/33/29/05/1127332905.db2.gz HRNHOIMRMAYWAX-UHFFFAOYSA-N 1 1 291.398 3.756 20 30 CHEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccncc1C#N ZINC000592072917 1127334567 /nfs/dbraw/zinc/33/45/67/1127334567.db2.gz RIBDXXPEHZIPIQ-QGZVFWFLSA-N 1 1 271.408 3.744 20 30 CHEDMO CC[N@@H+](CCC[C@@H]1CCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000592063868 1127334662 /nfs/dbraw/zinc/33/46/62/1127334662.db2.gz KQVROFGZAUEHPB-NVXWUHKLSA-N 1 1 286.419 3.758 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[C@H]1CCOC1 ZINC000592071190 1127334742 /nfs/dbraw/zinc/33/47/42/1127334742.db2.gz CARJPNNGHAHDHV-QXAKKESOSA-N 1 1 298.430 3.575 20 30 CHEDMO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592072376 1127334994 /nfs/dbraw/zinc/33/49/94/1127334994.db2.gz JIMTXSXNTDSDQT-KRWDZBQOSA-N 1 1 295.386 3.972 20 30 CHEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592072376 1127334998 /nfs/dbraw/zinc/33/49/98/1127334998.db2.gz JIMTXSXNTDSDQT-KRWDZBQOSA-N 1 1 295.386 3.972 20 30 CHEDMO N#Cc1cnccc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000592073965 1127335069 /nfs/dbraw/zinc/33/50/69/1127335069.db2.gz UDEWUFMULPCOJK-LJQANCHMSA-N 1 1 289.382 3.605 20 30 CHEDMO N#Cc1cnccc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000592073965 1127335071 /nfs/dbraw/zinc/33/50/71/1127335071.db2.gz UDEWUFMULPCOJK-LJQANCHMSA-N 1 1 289.382 3.605 20 30 CHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)ccc1OC ZINC000355351257 1127336201 /nfs/dbraw/zinc/33/62/01/1127336201.db2.gz DBCTWRCDWODESG-QGZVFWFLSA-N 1 1 293.382 3.584 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@](C)(F)C2)ccc1OC ZINC000355351257 1127336205 /nfs/dbraw/zinc/33/62/05/1127336205.db2.gz DBCTWRCDWODESG-QGZVFWFLSA-N 1 1 293.382 3.584 20 30 CHEDMO CCC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592094042 1127336224 /nfs/dbraw/zinc/33/62/24/1127336224.db2.gz AJVQEGZMAVYZRQ-QGZVFWFLSA-N 1 1 265.360 3.584 20 30 CHEDMO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000592124668 1127336312 /nfs/dbraw/zinc/33/63/12/1127336312.db2.gz IXDJRKKFNBPYJM-RTBURBONSA-N 1 1 291.398 3.721 20 30 CHEDMO CC(C)C[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592095154 1127336453 /nfs/dbraw/zinc/33/64/53/1127336453.db2.gz GBDLUSTZCKWUEL-SFHVURJKSA-N 1 1 279.387 3.830 20 30 CHEDMO N#CCCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592189082 1127338499 /nfs/dbraw/zinc/33/84/99/1127338499.db2.gz XZRDZNDJFZZORZ-INIZCTEOSA-N 1 1 252.361 3.683 20 30 CHEDMO N#Cc1ccccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592145627 1127339672 /nfs/dbraw/zinc/33/96/72/1127339672.db2.gz UYDUNVIWENILHY-UHFFFAOYSA-N 1 1 280.346 3.866 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592182656 1127341734 /nfs/dbraw/zinc/34/17/34/1127341734.db2.gz NUILXTDWBWQHAS-LSDHHAIUSA-N 1 1 284.403 3.510 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592182655 1127342489 /nfs/dbraw/zinc/34/24/89/1127342489.db2.gz NUILXTDWBWQHAS-HUUCEWRRSA-N 1 1 284.403 3.510 20 30 CHEDMO CC(C)(C)c1nc(C[NH2+]Cc2ccc(CC#N)cc2)cs1 ZINC000592371136 1127343515 /nfs/dbraw/zinc/34/35/15/1127343515.db2.gz QKMUCORMRFEBJH-UHFFFAOYSA-N 1 1 299.443 3.796 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592184681 1127343927 /nfs/dbraw/zinc/34/39/27/1127343927.db2.gz 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1127373194 /nfs/dbraw/zinc/37/31/94/1127373194.db2.gz KAOGUMBNZMBHNB-OAHLLOKOSA-N 1 1 298.430 3.631 20 30 CHEDMO CC[N@@H+](CC1CCC(=O)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289251851 1127378945 /nfs/dbraw/zinc/37/89/45/1127378945.db2.gz BLJJASSHPAIKRN-CQSZACIVSA-N 1 1 284.403 3.700 20 30 CHEDMO CC[N@@H+](CCNc1ccc(C(F)(F)F)c(C#N)c1)C(C)C ZINC000357234795 1127387851 /nfs/dbraw/zinc/38/78/51/1127387851.db2.gz HCFIEIYUIOCEOG-UHFFFAOYSA-N 1 1 299.340 3.719 20 30 CHEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000290214820 1127388363 /nfs/dbraw/zinc/38/83/63/1127388363.db2.gz FDARLCSEIMSRMK-LBPRGKRZSA-N 1 1 270.401 3.538 20 30 CHEDMO C=CC[N@@H+](CCCc1cnccc1C)CCc1ccco1 ZINC000290492213 1127390720 /nfs/dbraw/zinc/39/07/20/1127390720.db2.gz WBEXQDAAFSAGJR-UHFFFAOYSA-N 1 1 284.403 3.646 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CCCC1 ZINC000593654525 1127394472 /nfs/dbraw/zinc/39/44/72/1127394472.db2.gz FOZUQXIZKVJNJL-UHFFFAOYSA-N 1 1 289.766 3.655 20 30 CHEDMO 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CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc2C1 ZINC000511622238 1120438958 /nfs/dbraw/zinc/43/89/58/1120438958.db2.gz CQFHVLBADVDULE-QGZVFWFLSA-N 1 1 294.398 3.921 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000543140242 1120442494 /nfs/dbraw/zinc/44/24/94/1120442494.db2.gz QKCQDGFAGBSLEE-GJZGRUSLSA-N 1 1 256.393 3.621 20 30 CHEDMO C=CC[N@@H+](CCCCCn1cccn1)Cc1ccccc1 ZINC000068457699 1120476080 /nfs/dbraw/zinc/47/60/80/1120476080.db2.gz NSKCBBHPYPUVQH-UHFFFAOYSA-N 1 1 283.419 3.742 20 30 CHEDMO Cc1cnc(Cl)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000922238413 1120479900 /nfs/dbraw/zinc/47/99/00/1120479900.db2.gz DVSGZOQQSCSOIM-UHFFFAOYSA-N 1 1 299.805 3.940 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)ccc1C#N ZINC000618593481 1128920851 /nfs/dbraw/zinc/92/08/51/1128920851.db2.gz NVLYZZHEDQNFGR-IBGZPJMESA-N 1 1 292.382 3.909 20 30 CHEDMO C[C@H](CC(C)(C)C#N)NCCC[N@H+](C)C1CCCCC1 ZINC000695843765 1120517295 /nfs/dbraw/zinc/51/72/95/1120517295.db2.gz RIEFOZZBUADFRP-OAHLLOKOSA-N 1 1 279.472 3.559 20 30 CHEDMO C[C@H](CC(C)(C)C#N)NCCC[N@@H+](C)C1CCCCC1 ZINC000695843765 1120517297 /nfs/dbraw/zinc/51/72/97/1120517297.db2.gz RIEFOZZBUADFRP-OAHLLOKOSA-N 1 1 279.472 3.559 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000378824236 1120530424 /nfs/dbraw/zinc/53/04/24/1120530424.db2.gz GSADQFCXEPTATI-HOCLYGCPSA-N 1 1 272.367 3.708 20 30 CHEDMO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(C#N)cc1 ZINC000182023605 1128922677 /nfs/dbraw/zinc/92/26/77/1128922677.db2.gz MXGOZZXHVNIOBL-NSHDSACASA-N 1 1 283.400 3.743 20 30 CHEDMO C=C(C)c1ccc(NCCC[N@@H+]2CCCC[C@H]2C)nc1 ZINC001167750732 1120539631 /nfs/dbraw/zinc/53/96/31/1120539631.db2.gz ARRURBMVKQEQMB-OAHLLOKOSA-N 1 1 273.424 3.791 20 30 CHEDMO C[C@H](c1ccco1)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000092484206 1120543540 /nfs/dbraw/zinc/54/35/40/1120543540.db2.gz WDSRGRKNWXYHLL-LLVKDONJSA-N 1 1 272.373 3.938 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000092484206 1120543544 /nfs/dbraw/zinc/54/35/44/1120543544.db2.gz WDSRGRKNWXYHLL-LLVKDONJSA-N 1 1 272.373 3.938 20 30 CHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccccc1CS ZINC001167754003 1120551490 /nfs/dbraw/zinc/55/14/90/1120551490.db2.gz OIPHIHZENPNREA-AWEZNQCLSA-N 1 1 278.465 3.793 20 30 CHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc(CC#N)c1F ZINC001167754162 1120551747 /nfs/dbraw/zinc/55/17/47/1120551747.db2.gz WBHCKGJLOFNSJS-AWEZNQCLSA-N 1 1 289.398 3.568 20 30 CHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000276243065 1120552722 /nfs/dbraw/zinc/55/27/22/1120552722.db2.gz MGOASLNAWHGQMA-CYBMUJFWSA-N 1 1 282.309 3.721 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093149676 1120553486 /nfs/dbraw/zinc/55/34/86/1120553486.db2.gz IDIVZCFAMLBRHN-GFCCVEGCSA-N 1 1 268.385 3.739 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC000759820833 1120559682 /nfs/dbraw/zinc/55/96/82/1120559682.db2.gz WAXDIAYXSXYBOF-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093531923 1120562330 /nfs/dbraw/zinc/56/23/30/1120562330.db2.gz LGLGXBNPRZXONX-LBPRGKRZSA-N 1 1 288.778 3.868 20 30 CHEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCCOc1cccc(C#N)c1 ZINC000124639922 1120577168 /nfs/dbraw/zinc/57/71/68/1120577168.db2.gz XDAJGDYGDNASGI-HOCLYGCPSA-N 1 1 272.392 3.590 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C)nc(C)n2)CCCC1(C)C ZINC000660423758 1120594531 /nfs/dbraw/zinc/59/45/31/1120594531.db2.gz VWFPNKPXAOZWPF-INIZCTEOSA-N 1 1 273.424 3.660 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000759871148 1120597312 /nfs/dbraw/zinc/59/73/12/1120597312.db2.gz UKEZITGIJYBHJC-QAPCUYQASA-N 1 1 273.486 3.580 20 30 CHEDMO C=CCOCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000338881243 1120603261 /nfs/dbraw/zinc/60/32/61/1120603261.db2.gz QZDHXLIZEDEDOM-ZDUSSCGKSA-N 1 1 259.349 3.628 20 30 CHEDMO C=CCn1cc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cn1 ZINC000629702333 1128927820 /nfs/dbraw/zinc/92/78/20/1128927820.db2.gz LSDKPZREDMUFAA-OAHLLOKOSA-N 1 1 281.403 3.720 20 30 CHEDMO C[C@H](c1ccccc1Br)[N@H+](C)CCCC#N ZINC000194975330 1120611615 /nfs/dbraw/zinc/61/16/15/1120611615.db2.gz QASCSZVJDSEWCE-LLVKDONJSA-N 1 1 281.197 3.746 20 30 CHEDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCCC#N ZINC000194975330 1120611616 /nfs/dbraw/zinc/61/16/16/1120611616.db2.gz QASCSZVJDSEWCE-LLVKDONJSA-N 1 1 281.197 3.746 20 30 CHEDMO Cc1cncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000334390880 1120638647 /nfs/dbraw/zinc/63/86/47/1120638647.db2.gz UJRRHHBIMIUZRJ-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000131306871 1120654882 /nfs/dbraw/zinc/65/48/82/1120654882.db2.gz DEBQTQWIYQKGQV-CXAGYDPISA-N 1 1 282.412 3.998 20 30 CHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162762394 1120692333 /nfs/dbraw/zinc/69/23/33/1120692333.db2.gz CEKYUZIZTSAKLP-SECBINFHSA-N 1 1 289.766 3.667 20 30 CHEDMO COc1ccc([C@H](C)[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000030002576 1120694751 /nfs/dbraw/zinc/69/47/51/1120694751.db2.gz AQHFNLQXYUGLOU-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000030002576 1120694752 /nfs/dbraw/zinc/69/47/52/1120694752.db2.gz AQHFNLQXYUGLOU-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(C2CC2)n1 ZINC000618741471 1128935936 /nfs/dbraw/zinc/93/59/36/1128935936.db2.gz GODUPPHPBCCVGZ-INIZCTEOSA-N 1 1 295.411 3.669 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H](C)COC ZINC000661240094 1120742535 /nfs/dbraw/zinc/74/25/35/1120742535.db2.gz LHOJQGIGNYFVCW-LBPRGKRZSA-N 1 1 269.335 3.647 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C(C)C)nc1C)[C@H](C)COC ZINC000661239313 1120742619 /nfs/dbraw/zinc/74/26/19/1120742619.db2.gz FJGQQZVSYZHFFM-CQSZACIVSA-N 1 1 276.424 3.536 20 30 CHEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nc(C)no1 ZINC000662874004 1120774563 /nfs/dbraw/zinc/77/45/63/1120774563.db2.gz KKAYRRZCVHHKFW-LBPRGKRZSA-N 1 1 263.385 3.507 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nc(C)no1 ZINC000662874004 1120774566 /nfs/dbraw/zinc/77/45/66/1120774566.db2.gz KKAYRRZCVHHKFW-LBPRGKRZSA-N 1 1 263.385 3.507 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595710597 1120787705 /nfs/dbraw/zinc/78/77/05/1120787705.db2.gz AHLGHSQYEHVOBV-CYBMUJFWSA-N 1 1 297.427 3.860 20 30 CHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1csc(C#N)c1 ZINC000893479621 1120789118 /nfs/dbraw/zinc/78/91/18/1120789118.db2.gz WYQZYDUSJIDBEY-ONGXEEELSA-N 1 1 288.338 3.783 20 30 CHEDMO C=CCC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661639210 1120789479 /nfs/dbraw/zinc/78/94/79/1120789479.db2.gz PLMSHOPDXSFMNM-GFCCVEGCSA-N 1 1 274.191 3.535 20 30 CHEDMO C[C@@H](c1cccnc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000093235109 1128940832 /nfs/dbraw/zinc/94/08/32/1128940832.db2.gz ZJGIMLFNVUOYFP-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000093235109 1128940835 /nfs/dbraw/zinc/94/08/35/1128940835.db2.gz ZJGIMLFNVUOYFP-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511894961 1120803140 /nfs/dbraw/zinc/80/31/40/1120803140.db2.gz IXWJHXGDXRSYBP-RCCFBDPRSA-N 1 1 253.389 3.668 20 30 CHEDMO C=CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C(C)(C)C ZINC000661756136 1120808785 /nfs/dbraw/zinc/80/87/85/1120808785.db2.gz DJOYPFMPLADLKB-LLVKDONJSA-N 1 1 268.426 3.637 20 30 CHEDMO C=CC[N@H+](Cc1csc([C@@H](C)OC)n1)C(C)(C)C ZINC000661756136 1120808786 /nfs/dbraw/zinc/80/87/86/1120808786.db2.gz DJOYPFMPLADLKB-LLVKDONJSA-N 1 1 268.426 3.637 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)C(C)(C)C ZINC000661754722 1120809021 /nfs/dbraw/zinc/80/90/21/1120809021.db2.gz BYBGJYMWJNNCEE-UHFFFAOYSA-N 1 1 288.435 3.782 20 30 CHEDMO C=CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661800651 1120816224 /nfs/dbraw/zinc/81/62/24/1120816224.db2.gz XTFNIXCDZLMJAV-DOMZBBRYSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661800651 1120816227 /nfs/dbraw/zinc/81/62/27/1120816227.db2.gz XTFNIXCDZLMJAV-DOMZBBRYSA-N 1 1 265.784 3.678 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000054178996 1120846951 /nfs/dbraw/zinc/84/69/51/1120846951.db2.gz WMGIHQWSSCFWQU-OAHLLOKOSA-N 1 1 280.371 3.515 20 30 CHEDMO C[C@@H](C#N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000054181637 1120847751 /nfs/dbraw/zinc/84/77/51/1120847751.db2.gz HUHHCEUFCNDRSL-LBPRGKRZSA-N 1 1 256.374 3.664 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000054183293 1120850210 /nfs/dbraw/zinc/85/02/10/1120850210.db2.gz HNSHTYPUUGQRLT-ONGXEEELSA-N 1 1 254.736 3.822 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2cc(Cl)ccc2n1 ZINC000662078520 1120871152 /nfs/dbraw/zinc/87/11/52/1120871152.db2.gz HPARKKQGQVOYSZ-GASCZTMLSA-N 1 1 287.794 3.671 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(-c2ccccc2)c1 ZINC000662078115 1120871740 /nfs/dbraw/zinc/87/17/40/1120871740.db2.gz AYGWOJFNXIONSL-HDICACEKSA-N 1 1 279.387 3.555 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1C ZINC000662080747 1120871779 /nfs/dbraw/zinc/87/17/79/1120871779.db2.gz MBMCNRMKEYEGHC-OAGGEKHMSA-N 1 1 284.403 3.505 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000585754112 1121028613 /nfs/dbraw/zinc/02/86/13/1121028613.db2.gz QVFRNSSITXLIMX-QZTJIDSGSA-N 1 1 298.430 3.631 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnn2ccccc12 ZINC000512047130 1121036715 /nfs/dbraw/zinc/03/67/15/1121036715.db2.gz XPRYSQOHZNMPIX-UHFFFAOYSA-N 1 1 291.398 3.565 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000625702141 1121062223 /nfs/dbraw/zinc/06/22/23/1121062223.db2.gz DLMXCOPRPJLAPY-AWEZNQCLSA-N 1 1 298.386 3.748 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000625704547 1121064010 /nfs/dbraw/zinc/06/40/10/1121064010.db2.gz OLPMNAJVBWJVMC-HNNXBMFYSA-N 1 1 279.387 3.542 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000625705044 1121065460 /nfs/dbraw/zinc/06/54/60/1121065460.db2.gz WTUPCCSEVBLJNW-AWEZNQCLSA-N 1 1 268.360 3.740 20 30 CHEDMO CC(C)(C)c1cc[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001167846374 1121091409 /nfs/dbraw/zinc/09/14/09/1121091409.db2.gz ZHZPAOJOZXCLQK-MQMHXKEQSA-N 1 1 257.381 3.873 20 30 CHEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000585816777 1121091429 /nfs/dbraw/zinc/09/14/29/1121091429.db2.gz KRTHSMOEJMDJJM-AWEZNQCLSA-N 1 1 288.460 3.815 20 30 CHEDMO C=C(CC)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000773428658 1121115275 /nfs/dbraw/zinc/11/52/75/1121115275.db2.gz LYXVPLAKJZFUNY-HZPDHXFCSA-N 1 1 277.408 3.914 20 30 CHEDMO CCOc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117245 1121141976 /nfs/dbraw/zinc/14/19/76/1121141976.db2.gz KGOXLMDPNLQOFY-ZDUSSCGKSA-N 1 1 298.361 3.947 20 30 CHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000172450797 1121151050 /nfs/dbraw/zinc/15/10/50/1121151050.db2.gz DOXFEZXLUVZTLD-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cn2ccsc2n1 ZINC000172654081 1121159194 /nfs/dbraw/zinc/15/91/94/1121159194.db2.gz ADAWXKRAGZPABC-UHFFFAOYSA-N 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ZINC000856721905 1123565578 /nfs/dbraw/zinc/56/55/78/1123565578.db2.gz LKOKRANPRVWXDS-LJQANCHMSA-N 1 1 276.383 3.513 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000157649202 1129131606 /nfs/dbraw/zinc/13/16/06/1129131606.db2.gz WDRZWUFRTQXXTR-NEPJUHHUSA-N 1 1 282.334 3.831 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000157649202 1129131608 /nfs/dbraw/zinc/13/16/08/1129131608.db2.gz WDRZWUFRTQXXTR-NEPJUHHUSA-N 1 1 282.334 3.831 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1F ZINC000859060004 1123681861 /nfs/dbraw/zinc/68/18/61/1123681861.db2.gz ZAINEJPFEIYRIP-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO Cc1ccc(C[N@H+](CCO[C@H](C)C#N)C(C)(C)C)cc1 ZINC000859437599 1123697631 /nfs/dbraw/zinc/69/76/31/1123697631.db2.gz BBDFTTYSZPLAOX-OAHLLOKOSA-N 1 1 274.408 3.524 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000859445404 1123698540 /nfs/dbraw/zinc/69/85/40/1123698540.db2.gz IJVMQBUVAZJNOI-JTQLQIEISA-N 1 1 271.191 3.786 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000859445404 1123698543 /nfs/dbraw/zinc/69/85/43/1123698543.db2.gz IJVMQBUVAZJNOI-JTQLQIEISA-N 1 1 271.191 3.786 20 30 CHEDMO CC(C)(C)[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000930268036 1123702965 /nfs/dbraw/zinc/70/29/65/1123702965.db2.gz LYHVMTKNMLQHDW-HNNXBMFYSA-N 1 1 278.440 3.597 20 30 CHEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000860181074 1123724112 /nfs/dbraw/zinc/72/41/12/1123724112.db2.gz WRUXDRJKKZRHRN-RXYHWBRQSA-N 1 1 284.403 3.767 20 30 CHEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(CCC)c1C ZINC000346956154 1123737260 /nfs/dbraw/zinc/73/72/60/1123737260.db2.gz COVVHRPBKYPQQZ-UHFFFAOYSA-N 1 1 276.424 3.596 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(CCC)c1C ZINC000346956154 1123737264 /nfs/dbraw/zinc/73/72/64/1123737264.db2.gz COVVHRPBKYPQQZ-UHFFFAOYSA-N 1 1 276.424 3.596 20 30 CHEDMO Cc1c(F)nccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000862398151 1123807402 /nfs/dbraw/zinc/80/74/02/1123807402.db2.gz ZCFOQGQRIALTNG-ZDUSSCGKSA-N 1 1 283.350 3.594 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000862442305 1123810174 /nfs/dbraw/zinc/81/01/74/1123810174.db2.gz BKRROJIAFFLPFV-LBPRGKRZSA-N 1 1 267.294 3.551 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1oc(CCC)nc1C)c1ccccc1 ZINC000794464320 1123834480 /nfs/dbraw/zinc/83/44/80/1123834480.db2.gz YVUINVUPZXNYCP-MRXNPFEDSA-N 1 1 282.387 3.790 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c(C)c1 ZINC000475344867 1123847469 /nfs/dbraw/zinc/84/74/69/1123847469.db2.gz XVAUGRRDZLULBP-OAHLLOKOSA-N 1 1 280.371 3.758 20 30 CHEDMO CCCCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119327489 1123852163 /nfs/dbraw/zinc/85/21/63/1123852163.db2.gz JJOBZWTVBJPFPM-SJORKVTESA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCCC[N@@H+](C)CC1(O)CCCC1 ZINC000162217848 1123859758 /nfs/dbraw/zinc/85/97/58/1123859758.db2.gz MURKUHDLPDGIQF-UHFFFAOYSA-N 1 1 255.446 3.974 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000794813866 1123957304 /nfs/dbraw/zinc/95/73/04/1123957304.db2.gz FTTUGKGQYIRWKP-HNNXBMFYSA-N 1 1 287.794 3.592 20 30 CHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC(C)=C(C)C2)c1O ZINC000794883163 1124025524 /nfs/dbraw/zinc/02/55/24/1124025524.db2.gz YUPWLELSPKVDNN-UHFFFAOYSA-N 1 1 287.403 3.671 20 30 CHEDMO C=CC[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000428369480 1124042540 /nfs/dbraw/zinc/04/25/40/1124042540.db2.gz IVEJENICXZELOY-UHFFFAOYSA-N 1 1 267.372 3.883 20 30 CHEDMO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1cccc(C#N)c1O ZINC000866319823 1124052309 /nfs/dbraw/zinc/05/23/09/1124052309.db2.gz CHOWNLABDFYTBS-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)CC1(c2ccccc2)CC1 ZINC000444677755 1124052318 /nfs/dbraw/zinc/05/23/18/1124052318.db2.gz UUOGDCUAOLGAJJ-UHFFFAOYSA-N 1 1 290.410 3.916 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2)cc1C#N ZINC000444690109 1124053199 /nfs/dbraw/zinc/05/31/99/1124053199.db2.gz IVQQCQXZEBGMFI-UHFFFAOYSA-N 1 1 294.398 3.816 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444710998 1124056418 /nfs/dbraw/zinc/05/64/18/1124056418.db2.gz WIXVNULQYUXUQC-GFCCVEGCSA-N 1 1 276.346 3.981 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000444758576 1124058924 /nfs/dbraw/zinc/05/89/24/1124058924.db2.gz YSUOSOSCEPCWLC-PBHICJAKSA-N 1 1 256.393 3.987 20 30 CHEDMO C=CC[C@H]1[N@@H+](CCCn2ccnc2C)CCCC1(C)C ZINC000444777111 1124062022 /nfs/dbraw/zinc/06/20/22/1124062022.db2.gz DMKSXTHTOSNMEI-MRXNPFEDSA-N 1 1 275.440 3.648 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccc3c(c2)nnn3C)CCCC1(C)C ZINC000444772839 1124062249 /nfs/dbraw/zinc/06/22/49/1124062249.db2.gz BMLBBTIUQDOMMG-QGZVFWFLSA-N 1 1 298.434 3.535 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC000508532795 1124088005 /nfs/dbraw/zinc/08/80/05/1124088005.db2.gz GQYBCOQQOQDPNR-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C=CC[N@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC000508532795 1124088009 /nfs/dbraw/zinc/08/80/09/1124088009.db2.gz GQYBCOQQOQDPNR-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000121587657 1124092099 /nfs/dbraw/zinc/09/20/99/1124092099.db2.gz FPRBBUZIEHXHLD-UGSOOPFHSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000121587657 1124092104 /nfs/dbraw/zinc/09/21/04/1124092104.db2.gz FPRBBUZIEHXHLD-UGSOOPFHSA-N 1 1 280.346 3.890 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000794951154 1124096241 /nfs/dbraw/zinc/09/62/41/1124096241.db2.gz BOPAURSMNMTLAX-DLBZAZTESA-N 1 1 266.473 3.763 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H](C)COC ZINC000621317736 1129166917 /nfs/dbraw/zinc/16/69/17/1129166917.db2.gz WRMVUQNKYCJHDL-LBPRGKRZSA-N 1 1 287.325 3.728 20 30 CHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1 ZINC000428445628 1124115025 /nfs/dbraw/zinc/11/50/25/1124115025.db2.gz HAUKSQQYJNHODJ-JSGCOSHPSA-N 1 1 260.356 3.708 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000428452763 1124119631 /nfs/dbraw/zinc/11/96/31/1124119631.db2.gz NAIUWPXWVDINCC-AEFFLSMTSA-N 1 1 284.403 3.744 20 30 CHEDMO C=CCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000525328361 1124122401 /nfs/dbraw/zinc/12/24/01/1124122401.db2.gz RAPAFVVPAJYPES-UHFFFAOYSA-N 1 1 256.176 3.928 20 30 CHEDMO C=CCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000525328361 1124122403 /nfs/dbraw/zinc/12/24/03/1124122403.db2.gz RAPAFVVPAJYPES-UHFFFAOYSA-N 1 1 256.176 3.928 20 30 CHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000525328545 1124122487 /nfs/dbraw/zinc/12/24/87/1124122487.db2.gz BCEAKTGXXQCGEK-RDJZCZTQSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCC23CCC3)cc1OC ZINC000446846492 1124124783 /nfs/dbraw/zinc/12/47/83/1124124783.db2.gz ALVGJIDYWXMKJH-UHFFFAOYSA-N 1 1 287.403 3.779 20 30 CHEDMO Cc1nc(C(C)C)oc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000428455550 1124125228 /nfs/dbraw/zinc/12/52/28/1124125228.db2.gz JNJURBYTHGPSAR-UHFFFAOYSA-N 1 1 283.375 3.610 20 30 CHEDMO Cc1nc(C(C)C)oc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000428455550 1124125230 /nfs/dbraw/zinc/12/52/30/1124125230.db2.gz JNJURBYTHGPSAR-UHFFFAOYSA-N 1 1 283.375 3.610 20 30 CHEDMO Cc1ccc(OCC[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428463223 1124130649 /nfs/dbraw/zinc/13/06/49/1124130649.db2.gz PCNSFHAJIRNBOB-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO Cc1ccc(OCC[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428463223 1124130651 /nfs/dbraw/zinc/13/06/51/1124130651.db2.gz PCNSFHAJIRNBOB-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO CCc1cc(C[N@@H+](C)CC2CC(F)(F)C2)ccc1C#N ZINC001238778469 1131244028 /nfs/dbraw/zinc/24/40/28/1131244028.db2.gz NLUWKAPAQYKIPC-UHFFFAOYSA-N 1 1 278.346 3.598 20 30 CHEDMO C#CC[N@@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000071954100 1129175863 /nfs/dbraw/zinc/17/58/63/1129175863.db2.gz JYDMCHUBDNDDAC-LBPRGKRZSA-N 1 1 280.209 3.855 20 30 CHEDMO C#CC[N@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000071954100 1129175864 /nfs/dbraw/zinc/17/58/64/1129175864.db2.gz JYDMCHUBDNDDAC-LBPRGKRZSA-N 1 1 280.209 3.855 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000071956309 1129176091 /nfs/dbraw/zinc/17/60/91/1129176091.db2.gz IQCBDXGRGJYBPR-IBGZPJMESA-N 1 1 279.358 3.948 20 30 CHEDMO Cc1csc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)n1 ZINC000184189443 1129176442 /nfs/dbraw/zinc/17/64/42/1129176442.db2.gz JKNDBZRAIVLMEA-LBPRGKRZSA-N 1 1 290.819 3.807 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934248 1131257957 /nfs/dbraw/zinc/25/79/57/1131257957.db2.gz LUVMEHWFPVPZAT-ZFWWWQNUSA-N 1 1 288.822 3.823 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935985 1131260024 /nfs/dbraw/zinc/26/00/24/1131260024.db2.gz WUQFOLPXHIOGNX-AWEZNQCLSA-N 1 1 276.811 3.823 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000525637095 1124451198 /nfs/dbraw/zinc/45/11/98/1124451198.db2.gz YULFCOINYSIOOQ-QGZVFWFLSA-N 1 1 294.373 3.762 20 30 CHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428476394 1124459636 /nfs/dbraw/zinc/45/96/36/1124459636.db2.gz DTCNZVRBAHXYKD-BLLLJJGKSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428476395 1124460021 /nfs/dbraw/zinc/46/00/21/1124460021.db2.gz DTCNZVRBAHXYKD-LRDDRELGSA-N 1 1 260.356 3.708 20 30 CHEDMO C=CCCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447402725 1124472277 /nfs/dbraw/zinc/47/22/77/1124472277.db2.gz LTSAWLFRCIWQNM-INIZCTEOSA-N 1 1 295.430 3.712 20 30 CHEDMO CCc1nc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)cs1 ZINC000447532349 1124482753 /nfs/dbraw/zinc/48/27/53/1124482753.db2.gz SZCYFCHJTYKQGQ-OAHLLOKOSA-N 1 1 285.416 3.818 20 30 CHEDMO C=CCC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527327635 1124568775 /nfs/dbraw/zinc/56/87/75/1124568775.db2.gz BHXRFSPTPQMADO-CYBMUJFWSA-N 1 1 296.208 3.781 20 30 CHEDMO Cc1cc(C)c(CON=Cc2ccc(F)cc2)c(C)[nH+]1 ZINC000871721017 1124633441 /nfs/dbraw/zinc/63/34/41/1124633441.db2.gz IDAKRIIQJVAXPQ-UHFFFAOYSA-N 1 1 272.323 3.697 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000449227136 1124674184 /nfs/dbraw/zinc/67/41/84/1124674184.db2.gz OWWSEKDNNXCOBC-UHFFFAOYSA-N 1 1 276.380 3.957 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528545189 1124687283 /nfs/dbraw/zinc/68/72/83/1124687283.db2.gz DGSVEZZAFSNIEJ-GFCCVEGCSA-N 1 1 250.773 3.523 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2F ZINC001137057421 1124698286 /nfs/dbraw/zinc/69/82/86/1124698286.db2.gz BMWCQHCREZINND-DEZZGGKRSA-N 1 1 283.350 3.574 20 30 CHEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000389626704 1124728559 /nfs/dbraw/zinc/72/85/59/1124728559.db2.gz DDXQIBAQUWHFSO-GOSISDBHSA-N 1 1 299.462 3.695 20 30 CHEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000389626704 1124728564 /nfs/dbraw/zinc/72/85/64/1124728564.db2.gz DDXQIBAQUWHFSO-GOSISDBHSA-N 1 1 299.462 3.695 20 30 CHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000389626704 1124728572 /nfs/dbraw/zinc/72/85/72/1124728572.db2.gz DDXQIBAQUWHFSO-GOSISDBHSA-N 1 1 299.462 3.695 20 30 CHEDMO C=CCC[C@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449468483 1124751110 /nfs/dbraw/zinc/75/11/10/1124751110.db2.gz DRCLMNBDWRLMHS-HNNXBMFYSA-N 1 1 288.439 3.693 20 30 CHEDMO C=C(Cl)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000124675700 1124803798 /nfs/dbraw/zinc/80/37/98/1124803798.db2.gz GYQJJWLHKICIDA-UHFFFAOYSA-N 1 1 289.810 3.694 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000449636837 1124831764 /nfs/dbraw/zinc/83/17/64/1124831764.db2.gz XGCOLLXUBHQLAB-KRWDZBQOSA-N 1 1 278.355 3.878 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000449636837 1124831772 /nfs/dbraw/zinc/83/17/72/1124831772.db2.gz XGCOLLXUBHQLAB-KRWDZBQOSA-N 1 1 278.355 3.878 20 30 CHEDMO C[N@H+]1CCc2ccc(/C=C/c3ccc(C#N)cc3)cc2C1 ZINC001239309435 1131313291 /nfs/dbraw/zinc/31/32/91/1131313291.db2.gz FVJRDHRKVPLABQ-GORDUTHDSA-N 1 1 274.367 3.717 20 30 CHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(C#N)cnc2Cl)C1 ZINC000876573567 1124961790 /nfs/dbraw/zinc/96/17/90/1124961790.db2.gz VNDMHQXDQPKROG-RISCZKNCSA-N 1 1 277.799 3.617 20 30 CHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)cnc2Cl)C1 ZINC000876573568 1124962354 /nfs/dbraw/zinc/96/23/54/1124962354.db2.gz VNDMHQXDQPKROG-SMDDNHRTSA-N 1 1 277.799 3.617 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)CCC#N ZINC000876584913 1124962992 /nfs/dbraw/zinc/96/29/92/1124962992.db2.gz SMYXXBLZESYYGX-INIZCTEOSA-N 1 1 287.451 3.903 20 30 CHEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC1(C#N)CCC1 ZINC000450303217 1124972955 /nfs/dbraw/zinc/97/29/55/1124972955.db2.gz MNZQDDQSDNAWJV-QGZVFWFLSA-N 1 1 284.403 3.698 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876802106 1124980035 /nfs/dbraw/zinc/98/00/35/1124980035.db2.gz BNAUCGYXGGKINA-RBSFLKMASA-N 1 1 292.448 3.576 20 30 CHEDMO CCCC[N@H+](C)c1ccc(NCc2cccc(C#N)n2)cc1 ZINC000876857957 1124984651 /nfs/dbraw/zinc/98/46/51/1124984651.db2.gz LFNPKKRYSXCUQT-UHFFFAOYSA-N 1 1 294.402 3.802 20 30 CHEDMO CCCC[N@@H+](C)c1ccc(NCc2cccc(C#N)n2)cc1 ZINC000876857957 1124984656 /nfs/dbraw/zinc/98/46/56/1124984656.db2.gz LFNPKKRYSXCUQT-UHFFFAOYSA-N 1 1 294.402 3.802 20 30 CHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876947285 1124991850 /nfs/dbraw/zinc/99/18/50/1124991850.db2.gz BPJDOJSIQSKDDE-GFCCVEGCSA-N 1 1 285.778 3.766 20 30 CHEDMO C=CC[N@H+](Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000877329576 1125022664 /nfs/dbraw/zinc/02/26/64/1125022664.db2.gz SFHIBWMNVDYZSN-UHFFFAOYSA-N 1 1 256.324 3.524 20 30 CHEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC2(C#N)CCC2)o1 ZINC000450440745 1125026539 /nfs/dbraw/zinc/02/65/39/1125026539.db2.gz ZQMFVKFHYWUUNR-AWEZNQCLSA-N 1 1 258.365 3.809 20 30 CHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)o1 ZINC000450440745 1125026546 /nfs/dbraw/zinc/02/65/46/1125026546.db2.gz ZQMFVKFHYWUUNR-AWEZNQCLSA-N 1 1 258.365 3.809 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)CCc1c(Cl)cccc1Cl ZINC000450488186 1125045038 /nfs/dbraw/zinc/04/50/38/1125045038.db2.gz XFILDXYOYCMTAK-JTQLQIEISA-N 1 1 271.191 3.770 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC000450488186 1125045048 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C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001136465043 1131338475 /nfs/dbraw/zinc/33/84/75/1131338475.db2.gz CTSNQZGAHUJEOV-KRWDZBQOSA-N 1 1 292.467 3.504 20 30 CHEDMO C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[C@H]1C#N ZINC000879308359 1125207671 /nfs/dbraw/zinc/20/76/71/1125207671.db2.gz ARINKPHWOUBNSF-XLAORIBOSA-N 1 1 284.403 3.531 20 30 CHEDMO C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[C@H]1C#N ZINC000879308359 1125207677 /nfs/dbraw/zinc/20/76/77/1125207677.db2.gz ARINKPHWOUBNSF-XLAORIBOSA-N 1 1 284.403 3.531 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477529 1125215062 /nfs/dbraw/zinc/21/50/62/1125215062.db2.gz AMYRQFKZMVZDBK-INIZCTEOSA-N 1 1 260.356 3.641 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)c1 ZINC000879753135 1125231762 /nfs/dbraw/zinc/23/17/62/1125231762.db2.gz XNCALIKIIVNSFK-IBGZPJMESA-N 1 1 291.398 3.907 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000879752327 1125231913 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20 30 CHEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000399000993 1125338945 /nfs/dbraw/zinc/33/89/45/1125338945.db2.gz CBVYPBKZCIKQKI-LJQANCHMSA-N 1 1 276.383 3.742 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc2cccnc21)C1CCCC1 ZINC001137175758 1125342334 /nfs/dbraw/zinc/34/23/34/1125342334.db2.gz IVUYKNAODUKCKU-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191167914 1125345307 /nfs/dbraw/zinc/34/53/07/1125345307.db2.gz OXXZAKWVPBKZQJ-HNNXBMFYSA-N 1 1 293.414 3.697 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C2CC2)cc1C ZINC000191393102 1125359965 /nfs/dbraw/zinc/35/99/65/1125359965.db2.gz ARMBQCIOCLHBQP-UHFFFAOYSA-N 1 1 293.414 3.678 20 30 CHEDMO C=CC[N@H+](CCCOC(C)(C)C)Cc1cccc(C#N)c1 ZINC000610681441 1125365545 /nfs/dbraw/zinc/36/55/45/1125365545.db2.gz XJTLSWPJZDBITB-UHFFFAOYSA-N 1 1 286.419 3.751 20 30 CHEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000883171657 1125375079 /nfs/dbraw/zinc/37/50/79/1125375079.db2.gz 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266.747 3.605 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001137661226 1131378398 /nfs/dbraw/zinc/37/83/98/1131378398.db2.gz KANXSIMHQHCIAJ-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO C=CCOCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646119380 1129524451 /nfs/dbraw/zinc/52/44/51/1129524451.db2.gz SWTGHBSGEUJNSQ-QGZVFWFLSA-N 1 1 269.388 3.582 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000743854226 1129540318 /nfs/dbraw/zinc/54/03/18/1129540318.db2.gz PTVLHPXLHQAHSW-SZVBFZGTSA-N 1 1 298.430 3.980 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000743860145 1129541300 /nfs/dbraw/zinc/54/13/00/1129541300.db2.gz RXFGNLSMHKWXHF-ZDUSSCGKSA-N 1 1 267.825 3.853 20 30 CHEDMO CCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001137583804 1131381716 /nfs/dbraw/zinc/38/17/16/1131381716.db2.gz SZTIWFJLSISFQF-ZACQAIPSSA-N 1 1 294.483 3.584 20 30 CHEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000303735978 1129556502 /nfs/dbraw/zinc/55/65/02/1129556502.db2.gz 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CCCCCCC[N@@H+](C)[C@@H](C)CC(=O)N(CC)CC ZINC001169475942 1129730232 /nfs/dbraw/zinc/73/02/32/1129730232.db2.gz OPFGMEFSSDCQEU-HNNXBMFYSA-N 1 1 270.461 3.536 20 30 CHEDMO C#C[C@@](C)(CC)Nc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001169698013 1129747657 /nfs/dbraw/zinc/74/76/57/1129747657.db2.gz QHSXUEIUNSTRLG-KRWDZBQOSA-N 1 1 267.376 3.656 20 30 CHEDMO C#C[C@](C)(CC)Nc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001169701833 1129749404 /nfs/dbraw/zinc/74/94/04/1129749404.db2.gz VAIVIPRQLXKAMX-CYBMUJFWSA-N 1 1 282.309 3.889 20 30 CHEDMO CCc1ccc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001169747004 1129751729 /nfs/dbraw/zinc/75/17/29/1129751729.db2.gz UVVCXGWHZILVAV-UHFFFAOYSA-N 1 1 255.365 3.672 20 30 CHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170995384 1131396325 /nfs/dbraw/zinc/39/63/25/1131396325.db2.gz DJASRDBODCNEBT-MRXNPFEDSA-N 1 1 286.394 3.841 20 30 CHEDMO C=CCCC[N@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839498722 1129768130 /nfs/dbraw/zinc/76/81/30/1129768130.db2.gz VMVFRWVBMACBPZ-HNNXBMFYSA-N 1 1 296.455 3.532 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000766896346 1129769185 /nfs/dbraw/zinc/76/91/85/1129769185.db2.gz RTSLOMIYKIPELA-HNNXBMFYSA-N 1 1 261.796 3.760 20 30 CHEDMO C#CCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000766924917 1129769845 /nfs/dbraw/zinc/76/98/45/1129769845.db2.gz UOZUOXQSXMIQEH-INIZCTEOSA-N 1 1 263.331 3.905 20 30 CHEDMO C=CCCn1cc(C[N@@H+](CC)[C@H](CC)c2ccccc2)nn1 ZINC000653515232 1129782643 /nfs/dbraw/zinc/78/26/43/1129782643.db2.gz QGEATMYJUNGQMR-GOSISDBHSA-N 1 1 298.434 3.827 20 30 CHEDMO C=CCCn1cc(C[N@H+](CC)[C@H](CC)c2ccccc2)nn1 ZINC000653515232 1129782646 /nfs/dbraw/zinc/78/26/46/1129782646.db2.gz QGEATMYJUNGQMR-GOSISDBHSA-N 1 1 298.434 3.827 20 30 CHEDMO C=CCCn1cc(C[N@H+](Cc2ccccc2)C(C)(C)C)nn1 ZINC000653570025 1129785843 /nfs/dbraw/zinc/78/58/43/1129785843.db2.gz YHDMQRWKYOYHRY-UHFFFAOYSA-N 1 1 298.434 3.655 20 30 CHEDMO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C(C)(C)C)nn1 ZINC000653570025 1129785844 /nfs/dbraw/zinc/78/58/44/1129785844.db2.gz YHDMQRWKYOYHRY-UHFFFAOYSA-N 1 1 298.434 3.655 20 30 CHEDMO C=CCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000381540211 1129841763 /nfs/dbraw/zinc/84/17/63/1129841763.db2.gz HJYVCTZAYGDVEB-UHFFFAOYSA-N 1 1 284.197 3.519 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000767435623 1129793991 /nfs/dbraw/zinc/79/39/91/1129793991.db2.gz UNOXFPGBIKPXLB-CVEARBPZSA-N 1 1 263.429 3.736 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cc2cc(F)ccc2o1 ZINC000768153863 1129835853 /nfs/dbraw/zinc/83/58/53/1129835853.db2.gz NIKHOOVNDGWSEW-UHFFFAOYSA-N 1 1 274.339 3.944 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2cc(F)ccc2o1 ZINC000768153863 1129835858 /nfs/dbraw/zinc/83/58/58/1129835858.db2.gz NIKHOOVNDGWSEW-UHFFFAOYSA-N 1 1 274.339 3.944 20 30 CHEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000768236231 1129846990 /nfs/dbraw/zinc/84/69/90/1129846990.db2.gz CLSCJZHEQBBIPZ-QGZVFWFLSA-N 1 1 291.435 3.602 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 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C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc2c(ccnc2Cl)o1 ZINC000903034679 1130102997 /nfs/dbraw/zinc/10/29/97/1130102997.db2.gz AOLRHHMVCLBJHF-SNVBAGLBSA-N 1 1 289.766 3.826 20 30 CHEDMO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)c2ccsc2S1 ZINC000903032107 1130103111 /nfs/dbraw/zinc/10/31/11/1130103111.db2.gz PZIWWMWFSRNIFB-CMPLNLGQSA-N 1 1 278.446 3.957 20 30 CHEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC001170062028 1130113352 /nfs/dbraw/zinc/11/33/52/1130113352.db2.gz IWZVWGCXWBCCFY-RCCFBDPRSA-N 1 1 280.415 3.948 20 30 CHEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC001170062026 1130113374 /nfs/dbraw/zinc/11/33/74/1130113374.db2.gz IWZVWGCXWBCCFY-KURKYZTESA-N 1 1 280.415 3.948 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCOc3ccccc32)CCCC1 ZINC000903109040 1130114258 /nfs/dbraw/zinc/11/42/58/1130114258.db2.gz KWFCZRKKQHCPGM-OAHLLOKOSA-N 1 1 270.376 3.574 20 30 CHEDMO CCC[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccnc1 ZINC000903109013 1130114353 /nfs/dbraw/zinc/11/43/53/1130114353.db2.gz 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C[C@@H](CCCC#N)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001172499776 1132250063 /nfs/dbraw/zinc/25/00/63/1132250063.db2.gz ABHPLMIIPJNFRA-LBPRGKRZSA-N 1 1 250.773 3.854 20 30 CHEDMO COc1cccc([C@H]2CCC[N@H+]2[C@@H](C)CCCC#N)c1 ZINC001172499185 1132250401 /nfs/dbraw/zinc/25/04/01/1132250401.db2.gz BSSHQDUKTIMPOW-WMLDXEAASA-N 1 1 272.392 3.914 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001172505267 1132254141 /nfs/dbraw/zinc/25/41/41/1132254141.db2.gz LESSJNWMVAHHMB-KSZLIROESA-N 1 1 296.499 3.530 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+](CC)CCC(N)=O ZINC001172505776 1132254366 /nfs/dbraw/zinc/25/43/66/1132254366.db2.gz USRRXSRNKIKYEE-HNNXBMFYSA-N 1 1 270.461 3.713 20 30 CHEDMO CCCCCCCC[C@@H](CC)[NH2+]Cc1ncon1 ZINC001172506244 1132254419 /nfs/dbraw/zinc/25/44/19/1132254419.db2.gz QMFWBSXBOSCDPU-CYBMUJFWSA-N 1 1 253.390 3.688 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001172504659 1132254620 /nfs/dbraw/zinc/25/46/20/1132254620.db2.gz HPOBOWSTAWJEEJ-YOEHRIQHSA-N 1 1 274.383 3.915 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001172506950 1132255320 /nfs/dbraw/zinc/25/53/20/1132255320.db2.gz MKABYJKRDMDMBX-ZBFHGGJFSA-N 1 1 289.448 3.720 20 30 CHEDMO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCC[C@@H]1N ZINC001172508346 1132255392 /nfs/dbraw/zinc/25/53/92/1132255392.db2.gz JJAPZOBNSIQVIP-OWCLPIDISA-N 1 1 254.462 3.985 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]1[C@H](C)CCCC#N ZINC001172507468 1132256326 /nfs/dbraw/zinc/25/63/26/1132256326.db2.gz VGIUJFVRSMNEOU-GDBMZVCRSA-N 1 1 272.392 3.914 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC12COC2 ZINC001172510523 1132257328 /nfs/dbraw/zinc/25/73/28/1132257328.db2.gz DQXNRVBJPHSFAE-OAHLLOKOSA-N 1 1 253.430 3.990 20 30 CHEDMO CCCCCCCCC(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC001141857693 1132258308 /nfs/dbraw/zinc/25/83/08/1132258308.db2.gz LIFGKTGYFUNJFX-INIZCTEOSA-N 1 1 282.472 3.680 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001172510997 1132259268 /nfs/dbraw/zinc/25/92/68/1132259268.db2.gz LLTVXDXUVDOTNQ-OAGGEKHMSA-N 1 1 253.430 3.989 20 30 CHEDMO CSc1nc(C[N@@H+](C)Cc2ccc(C)cc2)ccc1C#N ZINC001141939058 1132270002 /nfs/dbraw/zinc/27/00/02/1132270002.db2.gz LLXSTMZFMQCPEK-UHFFFAOYSA-N 1 1 297.427 3.616 20 30 CHEDMO C[N@H+]1CC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231201181 1132271576 /nfs/dbraw/zinc/27/15/76/1132271576.db2.gz ZOXNCCINFAMDLW-UIMCMNAESA-N 1 1 280.371 3.520 20 30 CHEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001231423741 1132292050 /nfs/dbraw/zinc/29/20/50/1132292050.db2.gz GKKWKGJPMQASGF-QKDCVEJESA-N 1 1 274.795 3.915 20 30 CHEDMO CN(C)c1ccc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001231444124 1132297112 /nfs/dbraw/zinc/29/71/12/1132297112.db2.gz JMWNKVOZMDZJGE-IBGZPJMESA-N 1 1 293.414 3.641 20 30 CHEDMO CN(C)c1ccc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001231444124 1132297116 /nfs/dbraw/zinc/29/71/16/1132297116.db2.gz JMWNKVOZMDZJGE-IBGZPJMESA-N 1 1 293.414 3.641 20 30 CHEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1C ZINC001231483837 1132301911 /nfs/dbraw/zinc/30/19/11/1132301911.db2.gz BHLPKNNVHFIEBD-MRXNPFEDSA-N 1 1 256.393 3.738 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231523285 1132312603 /nfs/dbraw/zinc/31/26/03/1132312603.db2.gz UAEHFJKWEUSNKS-UHFFFAOYSA-N 1 1 273.298 3.809 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ccc(C)cc1 ZINC001231619903 1132326983 /nfs/dbraw/zinc/32/69/83/1132326983.db2.gz LTMHKAVCTSZMMJ-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001231621192 1132327387 /nfs/dbraw/zinc/32/73/87/1132327387.db2.gz SIGBXRDMKZVZKK-QGZVFWFLSA-N 1 1 277.383 3.966 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1 ZINC001231656076 1132335309 /nfs/dbraw/zinc/33/53/09/1132335309.db2.gz FJGFRAKEWKSANE-ZDUSSCGKSA-N 1 1 263.331 3.535 20 30 CHEDMO C#Cc1cccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC001231657738 1132335932 /nfs/dbraw/zinc/33/59/32/1132335932.db2.gz MHEQFDBOQVZKOJ-HNNXBMFYSA-N 1 1 261.368 3.787 20 30 CHEDMO CC[N@H+](CCC#N)[C@H](C)Cc1c(F)cccc1Cl ZINC001172851512 1132339289 /nfs/dbraw/zinc/33/92/89/1132339289.db2.gz AJWXZOZPTXOVCQ-LLVKDONJSA-N 1 1 268.763 3.646 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)Cc1c(F)cccc1Cl ZINC001172851512 1132339296 /nfs/dbraw/zinc/33/92/96/1132339296.db2.gz AJWXZOZPTXOVCQ-LLVKDONJSA-N 1 1 268.763 3.646 20 30 CHEDMO C#Cc1cccc(CN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001231659505 1132340069 /nfs/dbraw/zinc/34/00/69/1132340069.db2.gz NTOQQZMHVZAGQL-FQEVSTJZSA-N 1 1 296.458 3.508 20 30 CHEDMO C#Cc1cccc(C[N@@H+](C)C/C=C/c2ccccc2)c1 ZINC001231664088 1132341712 /nfs/dbraw/zinc/34/17/12/1132341712.db2.gz VSNMAALWAJJDIT-MDWZMJQESA-N 1 1 261.368 3.813 20 30 CHEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172884197 1132359074 /nfs/dbraw/zinc/35/90/74/1132359074.db2.gz ZMGQDSBUNUURIE-RYUDHWBXSA-N 1 1 280.824 3.666 20 30 CHEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001172884197 1132359080 /nfs/dbraw/zinc/35/90/80/1132359080.db2.gz ZMGQDSBUNUURIE-RYUDHWBXSA-N 1 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ZNIIHZQNHNJEOH-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232118480 1132425456 /nfs/dbraw/zinc/42/54/56/1132425456.db2.gz NNUKSFBBNYATNC-UHFFFAOYSA-N 1 1 295.773 3.715 20 30 CHEDMO CC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001173266284 1132432936 /nfs/dbraw/zinc/43/29/36/1132432936.db2.gz ZSQUTAOCULOUQR-JGVFFNPUSA-N 1 1 295.242 3.988 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(CC)cc2)C1 ZINC001173242020 1132440849 /nfs/dbraw/zinc/44/08/49/1132440849.db2.gz CGCNDIQIHCUXPT-RDJZCZTQSA-N 1 1 255.405 3.525 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](C)[C@H](C)C2)CC1 ZINC001173322150 1132460127 /nfs/dbraw/zinc/46/01/27/1132460127.db2.gz WPLINSKXJPFNJF-NJINODPHSA-N 1 1 265.441 3.868 20 30 CHEDMO C=CCOC1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001173322840 1132460396 /nfs/dbraw/zinc/46/03/96/1132460396.db2.gz MROVHBHSJJHFPP-UHFFFAOYSA-N 1 1 284.403 3.504 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001173321812 1132460586 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Cc1ccc(C[N@H+](C)CC(C)(C)CCC#N)s1 ZINC000093049492 260507298 /nfs/dbraw/zinc/50/72/98/260507298.db2.gz ZXKPBBMPKXHMPV-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO C=CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccs1 ZINC000448377427 261134491 /nfs/dbraw/zinc/13/44/91/261134491.db2.gz SHJDVHKVHWKFCZ-UHFFFAOYSA-N 1 1 285.387 3.927 20 30 CHEDMO C=CC[N@H+](CC#Cc1ccc(F)cc1)Cc1cccs1 ZINC000448377427 261134493 /nfs/dbraw/zinc/13/44/93/261134493.db2.gz SHJDVHKVHWKFCZ-UHFFFAOYSA-N 1 1 285.387 3.927 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000361468333 261282896 /nfs/dbraw/zinc/28/28/96/261282896.db2.gz GFXYJOWJODKQAC-OAHLLOKOSA-N 1 1 260.356 3.708 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000177311069 261346848 /nfs/dbraw/zinc/34/68/48/261346848.db2.gz VWOUJRLBQUPRDJ-UHFFFAOYSA-N 1 1 267.294 3.541 20 30 CHEDMO C[C@H](C[N@@H+](C)CCCC(C)(C)C#N)c1nccs1 ZINC000183922685 261998781 /nfs/dbraw/zinc/99/87/81/261998781.db2.gz ODKRCDLWPGRZPE-GFCCVEGCSA-N 1 1 265.426 3.508 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000184081615 262007267 /nfs/dbraw/zinc/00/72/67/262007267.db2.gz VFZGURYEEQCDNT-OAHLLOKOSA-N 1 1 272.392 3.790 20 30 CHEDMO CCCCOc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OC ZINC000184090095 262008411 /nfs/dbraw/zinc/00/84/11/262008411.db2.gz CQZAFDITQKJBGC-HNNXBMFYSA-N 1 1 290.407 3.656 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000184087788 262008484 /nfs/dbraw/zinc/00/84/84/262008484.db2.gz DRXQTMPKBBTURZ-JTQLQIEISA-N 1 1 288.725 3.723 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000184085259 262008592 /nfs/dbraw/zinc/00/85/92/262008592.db2.gz FSJKKFGJRKTYIZ-ZDUSSCGKSA-N 1 1 271.389 3.592 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000093003704 262056966 /nfs/dbraw/zinc/05/69/66/262056966.db2.gz PVVAYVJBTPOMFJ-MRXNPFEDSA-N 1 1 280.371 3.921 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000187395906 262135402 /nfs/dbraw/zinc/13/54/02/262135402.db2.gz DMRRHHCWGMOWBI-QGZVFWFLSA-N 1 1 295.386 3.539 20 30 CHEDMO COc1ccc(CCC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000497476663 262168105 /nfs/dbraw/zinc/16/81/05/262168105.db2.gz SCVUACDTZYKDBQ-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CC[C@H](C#N)C1 ZINC000335903360 262195965 /nfs/dbraw/zinc/19/59/65/262195965.db2.gz MWGMZTSYPSRMDX-VHSXEESVSA-N 1 1 299.237 3.635 20 30 CHEDMO C=C(C)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000365277909 262357803 /nfs/dbraw/zinc/35/78/03/262357803.db2.gz KAXYBUCDLRVADE-MRXNPFEDSA-N 1 1 272.779 3.990 20 30 CHEDMO CC(C)(C#N)CCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365436333 262365189 /nfs/dbraw/zinc/36/51/89/262365189.db2.gz ZCEUBUNVSVUFDX-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)on1 ZINC000336828170 262398213 /nfs/dbraw/zinc/39/82/13/262398213.db2.gz VNJHZDNFPMIJFK-AWEZNQCLSA-N 1 1 275.396 3.840 20 30 CHEDMO C=CCCOCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000339704862 262661686 /nfs/dbraw/zinc/66/16/86/262661686.db2.gz JOJKTDVLGCRZKA-UHFFFAOYSA-N 1 1 286.375 3.556 20 30 CHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@H](c2ccccc2)O1 ZINC000245563281 262666378 /nfs/dbraw/zinc/66/63/78/262666378.db2.gz PSGPCEWKHVFARL-WBVHZDCISA-N 1 1 286.419 3.778 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nc(C(C)C)no1 ZINC000411192619 262682933 /nfs/dbraw/zinc/68/29/33/262682933.db2.gz DMEFBJXCSWJVSR-OAHLLOKOSA-N 1 1 299.418 3.985 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(C(C)C)no1 ZINC000411192619 262682934 /nfs/dbraw/zinc/68/29/34/262682934.db2.gz DMEFBJXCSWJVSR-OAHLLOKOSA-N 1 1 299.418 3.985 20 30 CHEDMO C[C@H]1SCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411282120 262686835 /nfs/dbraw/zinc/68/68/35/262686835.db2.gz WYFDXTHQQXTBKP-ZIAGYGMSSA-N 1 1 266.454 3.676 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000411380388 262691157 /nfs/dbraw/zinc/69/11/57/262691157.db2.gz AUSIYWVKLQDUMN-HOCLYGCPSA-N 1 1 256.393 3.804 20 30 CHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(C)(C)C#N ZINC000271949061 263000582 /nfs/dbraw/zinc/00/05/82/263000582.db2.gz AQNLLRYHOVVTFV-HOCLYGCPSA-N 1 1 256.393 3.804 20 30 CHEDMO COCCCC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272032335 263001422 /nfs/dbraw/zinc/00/14/22/263001422.db2.gz PMOTZPXNQJZOMM-UHFFFAOYSA-N 1 1 288.435 3.855 20 30 CHEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000273521725 263017572 /nfs/dbraw/zinc/01/75/72/263017572.db2.gz QRGMVWSQLQPONG-QWRGUYRKSA-N 1 1 281.812 3.886 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000274616010 263027828 /nfs/dbraw/zinc/02/78/28/263027828.db2.gz LDHSXAFTLNGKQP-DJLDLDEBSA-N 1 1 289.326 3.505 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000276285194 263035839 /nfs/dbraw/zinc/03/58/39/263035839.db2.gz GNNSCROVHXTLFG-UMVBOHGHSA-N 1 1 260.356 3.696 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000276304788 263035995 /nfs/dbraw/zinc/03/59/95/263035995.db2.gz KUGQHOCCUOIIBB-LSDHHAIUSA-N 1 1 274.433 3.793 20 30 CHEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277592433 263042017 /nfs/dbraw/zinc/04/20/17/263042017.db2.gz DJEJMGDARPOJQW-AWEZNQCLSA-N 1 1 259.397 3.794 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CCO)c1ccccc1 ZINC000277655564 263042539 /nfs/dbraw/zinc/04/25/39/263042539.db2.gz IQYOQABRJZHNSO-KRWDZBQOSA-N 1 1 288.435 3.762 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000277638958 263042718 /nfs/dbraw/zinc/04/27/18/263042718.db2.gz HJUIHJIIAPMQRX-AWEZNQCLSA-N 1 1 292.448 3.841 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000277638958 263042719 /nfs/dbraw/zinc/04/27/19/263042719.db2.gz HJUIHJIIAPMQRX-AWEZNQCLSA-N 1 1 292.448 3.841 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000277855662 263043983 /nfs/dbraw/zinc/04/39/83/263043983.db2.gz XUYWCKGWRBWKJD-HNNXBMFYSA-N 1 1 292.448 3.841 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000277855662 263043984 /nfs/dbraw/zinc/04/39/84/263043984.db2.gz XUYWCKGWRBWKJD-HNNXBMFYSA-N 1 1 292.448 3.841 20 30 CHEDMO N#CCOc1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000280827833 263064632 /nfs/dbraw/zinc/06/46/32/263064632.db2.gz VRKREYOOZSKCAY-UHFFFAOYSA-N 1 1 284.403 3.601 20 30 CHEDMO CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000281770106 263071857 /nfs/dbraw/zinc/07/18/57/263071857.db2.gz SGXFBKVQWVDEED-QWHCGFSZSA-N 1 1 273.405 3.503 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)CC(C)(C)CCC#N ZINC000289977416 263113689 /nfs/dbraw/zinc/11/36/89/263113689.db2.gz ZNMZHIZCGVWXBF-UHFFFAOYSA-N 1 1 273.424 3.666 20 30 CHEDMO COc1ccc2cc(C[N@@H+](C)[C@H]3CC[C@H](C#N)C3)ccc2c1 ZINC000293508086 263142398 /nfs/dbraw/zinc/14/23/98/263142398.db2.gz OCSGNQLYMMUIMQ-KSSFIOAISA-N 1 1 294.398 3.972 20 30 CHEDMO N#CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000298890178 263227329 /nfs/dbraw/zinc/22/73/29/263227329.db2.gz LDQVUUZGDUZTLI-UHFFFAOYSA-N 1 1 268.282 3.588 20 30 CHEDMO C[C@H]([NH2+]CCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000299633373 263249835 /nfs/dbraw/zinc/24/98/35/263249835.db2.gz KDIBDFJCGUINOR-AWEZNQCLSA-N 1 1 298.361 3.969 20 30 CHEDMO CC(C)[C@@H]([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000299688140 263252070 /nfs/dbraw/zinc/25/20/70/263252070.db2.gz NOQLDVCLCHHTMY-CYBMUJFWSA-N 1 1 270.298 3.906 20 30 CHEDMO COc1cccc2c1CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000187720982 263267026 /nfs/dbraw/zinc/26/70/26/263267026.db2.gz UGTTZKYSRQGHLB-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C=C1CC[NH+](Cc2c3ccccc3oc2C(=O)OCC)CC1 ZINC000341991191 263381898 /nfs/dbraw/zinc/38/18/98/263381898.db2.gz GBXAEAJRIDIUTM-UHFFFAOYSA-N 1 1 299.370 3.762 20 30 CHEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@@H](C)C2CC2)cc1 ZINC000343144798 263593091 /nfs/dbraw/zinc/59/30/91/263593091.db2.gz AWHUPOQZBKMRIN-AWEZNQCLSA-N 1 1 284.403 3.599 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127407437 264255784 /nfs/dbraw/zinc/25/57/84/264255784.db2.gz CQVYUFLFFDFWQS-LJQANCHMSA-N 1 1 294.398 3.754 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ccoc1C(=O)OC)c1ccccc1 ZINC000180047759 264394544 /nfs/dbraw/zinc/39/45/44/264394544.db2.gz VIZYPRKZLZKOTD-INIZCTEOSA-N 1 1 299.370 3.863 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000350097250 265222180 /nfs/dbraw/zinc/22/21/80/265222180.db2.gz GNQAIXNIUSPEEP-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000350097250 265222184 /nfs/dbraw/zinc/22/21/84/265222184.db2.gz GNQAIXNIUSPEEP-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000518996072 265286927 /nfs/dbraw/zinc/28/69/27/265286927.db2.gz RZWLTLHRGUKCKZ-SJCJKPOMSA-N 1 1 297.789 3.632 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000516692399 266029322 /nfs/dbraw/zinc/02/93/22/266029322.db2.gz OTYWOJLVGHFPCQ-CYBMUJFWSA-N 1 1 281.346 3.729 20 30 CHEDMO C=CC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000356423221 266110922 /nfs/dbraw/zinc/11/09/22/266110922.db2.gz VSKNXTOKNURNON-UHFFFAOYSA-N 1 1 271.282 3.561 20 30 CHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356422096 266111032 /nfs/dbraw/zinc/11/10/32/266111032.db2.gz UPRWWZYBWWLRDE-QGZVFWFLSA-N 1 1 297.427 3.612 20 30 CHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000356818534 266179772 /nfs/dbraw/zinc/17/97/72/266179772.db2.gz SOJDZHFFKZHUKY-MRXNPFEDSA-N 1 1 286.419 3.571 20 30 CHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@H+]1C ZINC000356818534 266179774 /nfs/dbraw/zinc/17/97/74/266179774.db2.gz SOJDZHFFKZHUKY-MRXNPFEDSA-N 1 1 286.419 3.571 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC12CCC2 ZINC000357007576 266232315 /nfs/dbraw/zinc/23/23/15/266232315.db2.gz DRGFHSGWBOITTG-AWEZNQCLSA-N 1 1 254.377 3.570 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357019312 266232871 /nfs/dbraw/zinc/23/28/71/266232871.db2.gz COVZFQQRCALDMG-CQSZACIVSA-N 1 1 284.403 3.579 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)nc2ccccc12)C1CC1 ZINC000357550898 266321138 /nfs/dbraw/zinc/32/11/38/266321138.db2.gz HTRGFFSMFLYMSM-UHFFFAOYSA-N 1 1 252.361 3.694 20 30 CHEDMO C=CCCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357942020 266387799 /nfs/dbraw/zinc/38/77/99/266387799.db2.gz JMVDEEVQCJLDMC-UHFFFAOYSA-N 1 1 280.799 3.696 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566496 266601345 /nfs/dbraw/zinc/60/13/45/266601345.db2.gz VUGVEGVROMALRA-GUYCJALGSA-N 1 1 272.367 3.709 20 30 CHEDMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000363285372 267085218 /nfs/dbraw/zinc/08/52/18/267085218.db2.gz JIVBLGMOPBKEGL-SJLPKXTDSA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000363285372 267085222 /nfs/dbraw/zinc/08/52/22/267085222.db2.gz JIVBLGMOPBKEGL-SJLPKXTDSA-N 1 1 295.386 3.563 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000016340758 267091014 /nfs/dbraw/zinc/09/10/14/267091014.db2.gz PECKUHGYZKCGTG-HNNXBMFYSA-N 1 1 268.385 3.957 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000368443376 267173116 /nfs/dbraw/zinc/17/31/16/267173116.db2.gz WRLPYWMSPMWCHO-GFCCVEGCSA-N 1 1 274.339 3.722 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOCC2(CCCC2)C1 ZINC000369962843 267279624 /nfs/dbraw/zinc/27/96/24/267279624.db2.gz ACARQHRCNJKTMU-OAHLLOKOSA-N 1 1 284.403 3.512 20 30 CHEDMO C[C@@H]1[N@@H+](CCCCC(C)(C)C#N)CCC12CCOCC2 ZINC000370500705 267324330 /nfs/dbraw/zinc/32/43/30/267324330.db2.gz SVMSHZXNLYALRG-HNNXBMFYSA-N 1 1 278.440 3.597 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000119382170 267326269 /nfs/dbraw/zinc/32/62/69/267326269.db2.gz SGRBYPZVFBXVQS-LBPRGKRZSA-N 1 1 256.374 3.813 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000370690074 267339862 /nfs/dbraw/zinc/33/98/62/267339862.db2.gz LTWALFFIXSTWOP-KBAYOESNSA-N 1 1 298.430 3.758 20 30 CHEDMO Cc1cc2[nH]c(C[NH2+]CC3(C#N)CCC3)cc2c(C)c1 ZINC000418144037 267364714 /nfs/dbraw/zinc/36/47/14/267364714.db2.gz SCADANQHGZXTKM-UHFFFAOYSA-N 1 1 267.376 3.568 20 30 CHEDMO Cc1cc(C[NH2+]CC2(C#N)CCC2)c(OC(F)F)cc1C ZINC000418143744 267365264 /nfs/dbraw/zinc/36/52/64/267365264.db2.gz QUMFRCFOFCMYFS-UHFFFAOYSA-N 1 1 294.345 3.688 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000376614802 268001558 /nfs/dbraw/zinc/00/15/58/268001558.db2.gz JVEVNJWBJMVTHD-INIZCTEOSA-N 1 1 290.382 3.609 20 30 CHEDMO N#CCCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000123468569 268054605 /nfs/dbraw/zinc/05/46/05/268054605.db2.gz XDUDERRAFVZKIR-UHFFFAOYSA-N 1 1 274.383 3.917 20 30 CHEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1cccc(Cl)c1F ZINC000185848304 327847860 /nfs/dbraw/zinc/84/78/60/327847860.db2.gz RQLWUQUHOGCSRW-UHFFFAOYSA-N 1 1 292.741 3.969 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]2CCCC[C@H]21 ZINC000541107049 328046808 /nfs/dbraw/zinc/04/68/08/328046808.db2.gz LMRMPFAYMTZYLW-ISTRZQFTSA-N 1 1 272.367 3.708 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000160880947 328091177 /nfs/dbraw/zinc/09/11/77/328091177.db2.gz MEACAJQATJNZBJ-CVEARBPZSA-N 1 1 292.423 3.803 20 30 CHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCC1(F)F ZINC000411744936 328098859 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260.356 3.850 20 30 CHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000192151741 333230901 /nfs/dbraw/zinc/23/09/01/333230901.db2.gz YVRWMEPGKRELRY-CQSZACIVSA-N 1 1 283.346 3.537 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1C#N ZINC000226108153 333250108 /nfs/dbraw/zinc/25/01/08/333250108.db2.gz GJJSGEFJHOTJJI-NVXWUHKLSA-N 1 1 284.403 3.721 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000227354286 333281613 /nfs/dbraw/zinc/28/16/13/333281613.db2.gz QVKGDXIPTCJAQV-UHFFFAOYSA-N 1 1 282.309 3.831 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234036902 333357515 /nfs/dbraw/zinc/35/75/15/333357515.db2.gz VFVWMKNKLXNGNM-INIZCTEOSA-N 1 1 272.392 3.721 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cccc(C#N)c1 ZINC000234272475 333359202 /nfs/dbraw/zinc/35/92/02/333359202.db2.gz KOTOQXJCWFFPDC-UHFFFAOYSA-N 1 1 269.392 3.710 20 30 CHEDMO Cc1cccc(C[N@@H+](C)CCCCC(C)(C)C#N)n1 ZINC000234272514 333359297 /nfs/dbraw/zinc/35/92/97/333359297.db2.gz 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/nfs/dbraw/zinc/10/18/64/334101864.db2.gz WAZAJCBPDHEIQO-OAHLLOKOSA-N 1 1 260.356 3.852 20 30 CHEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135150434 334118036 /nfs/dbraw/zinc/11/80/36/334118036.db2.gz QATUKZOAPHGHLS-ZDUSSCGKSA-N 1 1 284.359 3.789 20 30 CHEDMO CCCC[N@@H+](CCOC)Cc1ccccc1C(C)(C)C#N ZINC000135213272 334119806 /nfs/dbraw/zinc/11/98/06/334119806.db2.gz OGEPRTKQBIVDRM-UHFFFAOYSA-N 1 1 288.435 3.736 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCSC(C)(C)C1 ZINC000135279938 334123350 /nfs/dbraw/zinc/12/33/50/334123350.db2.gz QFODYMVLTBVGJZ-UHFFFAOYSA-N 1 1 288.460 3.815 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000135715027 334136923 /nfs/dbraw/zinc/13/69/23/334136923.db2.gz PCBPWZYZVZHVJK-NSHDSACASA-N 1 1 250.411 3.827 20 30 CHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000548075523 334138330 /nfs/dbraw/zinc/13/83/30/334138330.db2.gz RSLVVKWCGKPEPZ-DLBZAZTESA-N 1 1 256.393 3.959 20 30 CHEDMO Cc1cc(Cl)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000136187682 334149115 /nfs/dbraw/zinc/14/91/15/334149115.db2.gz JUNFXINHDHQIKZ-UHFFFAOYSA-N 1 1 262.784 3.774 20 30 CHEDMO Cc1cc(Cl)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000136187682 334149117 /nfs/dbraw/zinc/14/91/17/334149117.db2.gz JUNFXINHDHQIKZ-UHFFFAOYSA-N 1 1 262.784 3.774 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 ZINC000245412637 334190791 /nfs/dbraw/zinc/19/07/91/334190791.db2.gz ATTZRAPHAGZPSE-FZKQIMNGSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 ZINC000245412637 334190792 /nfs/dbraw/zinc/19/07/92/334190792.db2.gz ATTZRAPHAGZPSE-FZKQIMNGSA-N 1 1 280.346 3.890 20 30 CHEDMO C=CC[N@H+](CCc1ccnn1CC)CC1CCCCC1 ZINC000549350354 334191089 /nfs/dbraw/zinc/19/10/89/334191089.db2.gz UMZZQMZPUPYTIX-UHFFFAOYSA-N 1 1 275.440 3.514 20 30 CHEDMO C=CCOCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000549398705 334192177 /nfs/dbraw/zinc/19/21/77/334192177.db2.gz UKPHZSCXQXSVQH-LBPRGKRZSA-N 1 1 298.224 3.645 20 30 CHEDMO C=CCOCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000549398705 334192178 /nfs/dbraw/zinc/19/21/78/334192178.db2.gz UKPHZSCXQXSVQH-LBPRGKRZSA-N 1 1 298.224 3.645 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081573322 334197193 /nfs/dbraw/zinc/19/71/93/334197193.db2.gz FFBAOURQHBVIBV-KSSFIOAISA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081573322 334197194 /nfs/dbraw/zinc/19/71/94/334197194.db2.gz FFBAOURQHBVIBV-KSSFIOAISA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000081575073 334197536 /nfs/dbraw/zinc/19/75/36/334197536.db2.gz PTZXTCCCHHFNSD-UGSOOPFHSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000081575073 334197538 /nfs/dbraw/zinc/19/75/38/334197538.db2.gz PTZXTCCCHHFNSD-UGSOOPFHSA-N 1 1 280.346 3.890 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000549686486 334201974 /nfs/dbraw/zinc/20/19/74/334201974.db2.gz AHZGEGHBKLIDAS-AWEZNQCLSA-N 1 1 295.224 3.947 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000549844849 334206706 /nfs/dbraw/zinc/20/67/06/334206706.db2.gz AHHOGSCVURHYHJ-XNRPHZJLSA-N 1 1 274.795 3.822 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000549844850 334206743 /nfs/dbraw/zinc/20/67/43/334206743.db2.gz AHHOGSCVURHYHJ-XPKDYRNWSA-N 1 1 274.795 3.822 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000550105714 334213314 /nfs/dbraw/zinc/21/33/14/334213314.db2.gz TWPRUPZLVPVDAU-HNNXBMFYSA-N 1 1 297.851 3.709 20 30 CHEDMO C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000245825297 334220760 /nfs/dbraw/zinc/22/07/60/334220760.db2.gz ATYAPLZDLTXCLL-IXDOHACOSA-N 1 1 299.462 3.577 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000552061508 334283234 /nfs/dbraw/zinc/28/32/34/334283234.db2.gz NYIBTCJQIOQJPE-SFHVURJKSA-N 1 1 276.383 3.938 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@H]2CCC[C@H]21 ZINC000552139687 334294397 /nfs/dbraw/zinc/29/43/97/334294397.db2.gz RVXHQUJQCCDFNG-KGLIPLIRSA-N 1 1 260.406 3.630 20 30 CHEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000552273194 334310960 /nfs/dbraw/zinc/31/09/60/334310960.db2.gz WTVNFMSPAQWLLZ-MRXNPFEDSA-N 1 1 280.371 3.703 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249775423 334340420 /nfs/dbraw/zinc/34/04/20/334340420.db2.gz KGLCGJMICRGHQZ-HYVNUMGLSA-N 1 1 256.393 3.731 20 30 CHEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)c1ccc(C#N)cc1 ZINC000251268167 334359128 /nfs/dbraw/zinc/35/91/28/334359128.db2.gz XCXIKWQMLZFANS-RKVPGOIHSA-N 1 1 285.435 3.520 20 30 CHEDMO CCc1[nH+]c2ccccc2c(N(C)C[C@@H](C)C#N)c1C ZINC000554286876 334420043 /nfs/dbraw/zinc/42/00/43/334420043.db2.gz ODDGTHPYKWRDNQ-LBPRGKRZSA-N 1 1 267.376 3.702 20 30 CHEDMO CC(C)(C)c1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000566172519 334631662 /nfs/dbraw/zinc/63/16/62/334631662.db2.gz DIYPXCNHXPBZDL-UHFFFAOYSA-N 1 1 291.464 3.956 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(Br)c1C ZINC000566429583 334648303 /nfs/dbraw/zinc/64/83/03/334648303.db2.gz WQVBXNKGHLOHEN-LBPRGKRZSA-N 1 1 281.197 3.539 20 30 CHEDMO C=CCCCC[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000576345223 335192263 /nfs/dbraw/zinc/19/22/63/335192263.db2.gz CBLWPZGRZCFMKI-UHFFFAOYSA-N 1 1 271.404 3.646 20 30 CHEDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000577252745 335329999 /nfs/dbraw/zinc/32/99/99/335329999.db2.gz XBYMEFLDVJMMEG-AWEZNQCLSA-N 1 1 282.309 3.807 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000577405200 335349102 /nfs/dbraw/zinc/34/91/02/335349102.db2.gz FLJCFGJMTMFPIH-BETUJISGSA-N 1 1 279.346 3.632 20 30 CHEDMO CCC[N@@H+](Cc1cccc(OCCCC#N)c1)C(C)C ZINC000577747292 335396429 /nfs/dbraw/zinc/39/64/29/335396429.db2.gz VTXXBKZZNGVPMK-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(F)c1F ZINC000181959422 335792515 /nfs/dbraw/zinc/79/25/15/335792515.db2.gz GOOLWTXZAOVDMX-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)c1ccc(Br)cc1 ZINC000194971034 336041352 /nfs/dbraw/zinc/04/13/52/336041352.db2.gz MEXXADSNZOJERX-SNVBAGLBSA-N 1 1 254.171 3.628 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000381086516 336049527 /nfs/dbraw/zinc/04/95/27/336049527.db2.gz CEXARNOCQQHPIU-HZPDHXFCSA-N 1 1 254.377 3.569 20 30 CHEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000383347256 336107485 /nfs/dbraw/zinc/10/74/85/336107485.db2.gz NBCLHTYDAVXRSC-NSHDSACASA-N 1 1 295.224 3.797 20 30 CHEDMO Cc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1F ZINC000353416609 533880788 /nfs/dbraw/zinc/88/07/88/533880788.db2.gz OUCDUQSWUPNVQB-UHFFFAOYSA-N 1 1 262.372 3.896 20 30 CHEDMO Cc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1F ZINC000353416609 533880801 /nfs/dbraw/zinc/88/08/01/533880801.db2.gz OUCDUQSWUPNVQB-UHFFFAOYSA-N 1 1 262.372 3.896 20 30 CHEDMO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000332234118 534054471 /nfs/dbraw/zinc/05/44/71/534054471.db2.gz QEWSCCUGCUZPGN-WWGRRREGSA-N 1 1 285.391 3.503 20 30 CHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCCC#N ZINC000354842481 534060577 /nfs/dbraw/zinc/06/05/77/534060577.db2.gz WJKFUIFCQRHMGK-OLZOCXBDSA-N 1 1 260.356 3.827 20 30 CHEDMO C=CC[N@@H+](Cc1ccnn1C(C)C)Cc1ccccc1 ZINC000279648585 518791348 /nfs/dbraw/zinc/79/13/48/518791348.db2.gz MKYCPINBGNMTJU-UHFFFAOYSA-N 1 1 269.392 3.652 20 30 CHEDMO C=CC[N@H+](Cc1ccnn1C(C)C)Cc1ccccc1 ZINC000279648585 518791354 /nfs/dbraw/zinc/79/13/54/518791354.db2.gz MKYCPINBGNMTJU-UHFFFAOYSA-N 1 1 269.392 3.652 20 30 CHEDMO CC[N@@H+](CCCCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000103226873 521001702 /nfs/dbraw/zinc/00/17/02/521001702.db2.gz XWPAFZILILSYOV-HNNXBMFYSA-N 1 1 274.408 3.758 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)Cc1ccc(OC)cc1 ZINC000128410552 521298399 /nfs/dbraw/zinc/29/83/99/521298399.db2.gz HJWJFSBALZQQQU-CQSZACIVSA-N 1 1 298.386 3.613 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128410308 521299406 /nfs/dbraw/zinc/29/94/06/521299406.db2.gz HJWJFSBALZQQQU-AWEZNQCLSA-N 1 1 298.386 3.613 20 30 CHEDMO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000293279988 521495459 /nfs/dbraw/zinc/49/54/59/521495459.db2.gz CUUURKWZRXUWBC-LBPRGKRZSA-N 1 1 283.375 3.658 20 30 CHEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265872539 521685132 /nfs/dbraw/zinc/68/51/32/521685132.db2.gz MRDYZVXPEHBNNG-KURKYZTESA-N 1 1 298.430 3.584 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000354525677 534615041 /nfs/dbraw/zinc/61/50/41/534615041.db2.gz KNDWEDUFCMHUBF-GOSISDBHSA-N 1 1 298.430 3.991 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356097112 524232485 /nfs/dbraw/zinc/23/24/85/524232485.db2.gz ZNZZMQZHEFLFNB-LLVKDONJSA-N 1 1 282.309 3.809 20 30 CHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356111054 524659915 /nfs/dbraw/zinc/65/99/15/524659915.db2.gz NHCIWTILBWIPAK-PHIMTYICSA-N 1 1 282.309 3.950 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000129852259 524814436 /nfs/dbraw/zinc/81/44/36/524814436.db2.gz HZUSXNQLQSNSCE-ZDUSSCGKSA-N 1 1 298.411 3.618 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000125827192 525128798 /nfs/dbraw/zinc/12/87/98/525128798.db2.gz AIESLSFTMMRYQX-GFCCVEGCSA-N 1 1 286.400 3.821 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000127567962 525288498 /nfs/dbraw/zinc/28/84/98/525288498.db2.gz SVNMNYXNYMRTOW-UKRRQHHQSA-N 1 1 266.344 3.529 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289689826 526042339 /nfs/dbraw/zinc/04/23/39/526042339.db2.gz ICHOQUDSSIVFSB-KBRIMQKVSA-N 1 1 284.403 3.509 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278610238 526042806 /nfs/dbraw/zinc/04/28/06/526042806.db2.gz FJMAUQGSFUJIEB-YPMHNXCESA-N 1 1 282.309 3.894 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289690430 526043234 /nfs/dbraw/zinc/04/32/34/526043234.db2.gz VTVURTGQGPXIDK-JLSDUUJJSA-N 1 1 296.414 3.653 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000290011566 526044139 /nfs/dbraw/zinc/04/41/39/526044139.db2.gz ZSOQANIEBABSAL-VXGBXAGGSA-N 1 1 264.319 3.596 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000275027891 526072998 /nfs/dbraw/zinc/07/29/98/526072998.db2.gz RNFGYAQSVLUQNG-DNVCBOLYSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000275027891 526073005 /nfs/dbraw/zinc/07/30/05/526073005.db2.gz RNFGYAQSVLUQNG-DNVCBOLYSA-N 1 1 292.382 3.693 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352741118 526376756 /nfs/dbraw/zinc/37/67/56/526376756.db2.gz WEAGCJJFFIDHBW-UONOGXRCSA-N 1 1 265.422 3.551 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(C)n1 ZINC000347355602 526377059 /nfs/dbraw/zinc/37/70/59/526377059.db2.gz COVCJXOFBHNPHU-UHFFFAOYSA-N 1 1 258.390 3.640 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C)n1 ZINC000347355602 526377069 /nfs/dbraw/zinc/37/70/69/526377069.db2.gz COVCJXOFBHNPHU-UHFFFAOYSA-N 1 1 258.390 3.640 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cncc(F)c1 ZINC000347071488 526568309 /nfs/dbraw/zinc/56/83/09/526568309.db2.gz BTEWAYDAZOFWIL-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cncc(F)c1 ZINC000347071488 526568314 /nfs/dbraw/zinc/56/83/14/526568314.db2.gz BTEWAYDAZOFWIL-UHFFFAOYSA-N 1 1 270.351 3.799 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCCC2(CC2)C1 ZINC000351890818 526932185 /nfs/dbraw/zinc/93/21/85/526932185.db2.gz KXEJOGHHSJSXJG-UHFFFAOYSA-N 1 1 257.377 3.627 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000344399326 527199791 /nfs/dbraw/zinc/19/97/91/527199791.db2.gz JLNVKPSOGFKMGS-ZDUSSCGKSA-N 1 1 263.406 3.752 20 30 CHEDMO CCC[N@@H+](CC[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000347377537 528103418 /nfs/dbraw/zinc/10/34/18/528103418.db2.gz CUZRCIPVJBUZGJ-GOSISDBHSA-N 1 1 286.419 3.729 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 ZINC000351918902 528430389 /nfs/dbraw/zinc/43/03/89/528430389.db2.gz KRIHRUBDVKQPEI-CQSZACIVSA-N 1 1 266.429 3.596 20 30 CHEDMO CC(C)c1nnc(NC(=O)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000330293327 528453469 /nfs/dbraw/zinc/45/34/69/528453469.db2.gz HRVAFDGAGUWXGI-LLVKDONJSA-N 1 1 296.440 3.514 20 30 CHEDMO CC[N@@H+](CC[C@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000347396859 528586598 /nfs/dbraw/zinc/58/65/98/528586598.db2.gz WZYGQVFPZOJFFZ-MAUKXSAKSA-N 1 1 286.419 3.900 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1OC ZINC000347300087 528811214 /nfs/dbraw/zinc/81/12/14/528811214.db2.gz HDWAHTGLCPXXSS-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC(C)c1ccc[nH+]c1NCc1cccc(C#N)c1 ZINC000342021363 535376734 /nfs/dbraw/zinc/37/67/34/535376734.db2.gz RXBXBJVCOAARBZ-UHFFFAOYSA-N 1 1 251.333 3.689 20 30 CHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H]1C ZINC000251664900 1125480702 /nfs/dbraw/zinc/48/07/02/1125480702.db2.gz GFBDVHXGLAZVCP-CPUCHLNUSA-N 1 1 256.393 3.815 20 30 CHEDMO C=CCCCCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001209435331 1118055367 /nfs/dbraw/zinc/05/53/67/1118055367.db2.gz AWETYXFUISOTFM-OAHLLOKOSA-N 1 1 281.440 3.787 20 30 CHEDMO C=CCCCCCCC[N@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001209442436 1118060285 /nfs/dbraw/zinc/06/02/85/1118060285.db2.gz SAXVPARRBWKFOT-SFHVURJKSA-N 1 1 294.483 3.844 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCCCC12COC2 ZINC001209439575 1118059436 /nfs/dbraw/zinc/05/94/36/1118059436.db2.gz TUPGDUUMHKAXRJ-UHFFFAOYSA-N 1 1 251.414 3.768 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1 ZINC000119698096 1119003045 /nfs/dbraw/zinc/00/30/45/1119003045.db2.gz VOZPYCUZPAKQDR-CHWSQXEVSA-N 1 1 254.443 3.532 20 30 CHEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000934298128 1119013596 /nfs/dbraw/zinc/01/35/96/1119013596.db2.gz VCFKYYCIMXXJEY-NSHDSACASA-N 1 1 280.824 3.539 20 30 CHEDMO C=C(C)[C@H]([NH2+]C/C=C\Cl)c1ccc(F)c(F)c1 ZINC000588513356 1119052865 /nfs/dbraw/zinc/05/28/65/1119052865.db2.gz WPLNFSYIFNSTSK-RJNRQISESA-N 1 1 257.711 3.924 20 30 CHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC2(C#N)CC2)C1 ZINC000343312418 1119381897 /nfs/dbraw/zinc/38/18/97/1119381897.db2.gz BKGCHBGDHJKDNY-WFASDCNBSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC2(C#N)CC2)C1 ZINC000343312418 1119381899 /nfs/dbraw/zinc/38/18/99/1119381899.db2.gz BKGCHBGDHJKDNY-WFASDCNBSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 ZINC000131599569 1125495456 /nfs/dbraw/zinc/49/54/56/1125495456.db2.gz VPRITBLRRWQEJQ-RYRKJORJSA-N 1 1 281.403 3.556 20 30 CHEDMO C=CC[C@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(CC)n1 ZINC000709334906 1120520861 /nfs/dbraw/zinc/52/08/61/1120520861.db2.gz PWWBNVLWMYOVAP-UONOGXRCSA-N 1 1 259.397 3.894 20 30 CHEDMO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C#N)CC1 ZINC000154501370 1120548420 /nfs/dbraw/zinc/54/84/20/1120548420.db2.gz TXIUCFCCWNKSKA-HNNXBMFYSA-N 1 1 264.319 3.651 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001174890487 1121057221 /nfs/dbraw/zinc/05/72/21/1121057221.db2.gz HIJWPSYVLXBSEX-LBPRGKRZSA-N 1 1 260.768 3.610 20 30 CHEDMO C=CCOCCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512247478 1121226102 /nfs/dbraw/zinc/22/61/02/1121226102.db2.gz ZVKDNPBBVNXLJG-HNNXBMFYSA-N 1 1 259.393 3.805 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)CCS1 ZINC000411629353 1121613929 /nfs/dbraw/zinc/61/39/29/1121613929.db2.gz CNMGPSJWAJGSHL-CQSZACIVSA-N 1 1 266.454 3.678 20 30 CHEDMO C#CC[N@@H+](Cc1cc(Br)ccc1C)C(C)C ZINC001176373528 1121618489 /nfs/dbraw/zinc/61/84/89/1121618489.db2.gz RMORZWDBEGCFDZ-UHFFFAOYSA-N 1 1 280.209 3.601 20 30 CHEDMO CCOc1ccc(Cl)cc1C[NH2+]CC1(C#N)CCCC1 ZINC001179775670 1121908652 /nfs/dbraw/zinc/90/86/52/1121908652.db2.gz BRCKQFMZIKGBKZ-UHFFFAOYSA-N 1 1 292.810 3.912 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC000505660233 1122458746 /nfs/dbraw/zinc/45/87/46/1122458746.db2.gz LGDKROBZGVRESP-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CC[N@@H+](CCCOc1cc(C)cc(C)c1)C[C@@H](C)C#N ZINC000506066550 1122639404 /nfs/dbraw/zinc/63/94/04/1122639404.db2.gz KVGVATWCPPOXRY-INIZCTEOSA-N 1 1 274.408 3.554 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426462058 1122799675 /nfs/dbraw/zinc/79/96/75/1122799675.db2.gz RWPMKPCCJCTXCO-ZBFHGGJFSA-N 1 1 259.780 3.566 20 30 CHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894707300 1122896585 /nfs/dbraw/zinc/89/65/85/1122896585.db2.gz IYJVUJXOQZPKQT-MWLCHTKSSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894707300 1122896588 /nfs/dbraw/zinc/89/65/88/1122896588.db2.gz IYJVUJXOQZPKQT-MWLCHTKSSA-N 1 1 288.338 3.783 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001198491189 1122994039 /nfs/dbraw/zinc/99/40/39/1122994039.db2.gz PFUDFQPLPPRKTK-RISCZKNCSA-N 1 1 286.202 3.677 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001201847405 1123156017 /nfs/dbraw/zinc/15/60/17/1123156017.db2.gz VRLGPBNFHLUBRK-MRXNPFEDSA-N 1 1 253.430 3.992 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CC2)[C@@H]1c1cccc(F)c1 ZINC000343313220 1123199891 /nfs/dbraw/zinc/19/98/91/1123199891.db2.gz GDVWQOLDVISLCF-DOMZBBRYSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC2(C#N)CC2)C1 ZINC000343312416 1123199964 /nfs/dbraw/zinc/19/99/64/1123199964.db2.gz BKGCHBGDHJKDNY-SWLSCSKDSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC2(C#N)CC2)C1 ZINC000343312416 1123199965 /nfs/dbraw/zinc/19/99/65/1123199965.db2.gz BKGCHBGDHJKDNY-SWLSCSKDSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@@H]1c1cccc(F)c1 ZINC000343313220 1123199890 /nfs/dbraw/zinc/19/98/90/1123199890.db2.gz GDVWQOLDVISLCF-DOMZBBRYSA-N 1 1 258.340 3.512 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1COC ZINC001252123116 1123224007 /nfs/dbraw/zinc/22/40/07/1123224007.db2.gz CNIJAHOIKAPKGC-SJORKVTESA-N 1 1 285.472 3.599 20 30 CHEDMO C=CC[C@H]1[N@H+](CC[C@@H]2CCCN2C)CCCC1(C)C ZINC000444794102 1124065964 /nfs/dbraw/zinc/06/59/64/1124065964.db2.gz UPWHZIXQQZQPMY-JKSUJKDBSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CC[C@H]1[N@@H+](CC[C@@H]2CCCN2C)CCCC1(C)C ZINC000444794102 1124065969 /nfs/dbraw/zinc/06/59/69/1124065969.db2.gz UPWHZIXQQZQPMY-JKSUJKDBSA-N 1 1 264.457 3.537 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000530410727 1125151115 /nfs/dbraw/zinc/15/11/15/1125151115.db2.gz MFPOFFMNLCKUCV-INIZCTEOSA-N 1 1 278.440 3.740 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000530410727 1125151116 /nfs/dbraw/zinc/15/11/16/1125151116.db2.gz MFPOFFMNLCKUCV-INIZCTEOSA-N 1 1 278.440 3.740 20 30 CHEDMO C=CCCCCC[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000531255009 1125204846 /nfs/dbraw/zinc/20/48/46/1125204846.db2.gz QVFNTCYIJWSTLT-UHFFFAOYSA-N 1 1 276.424 3.503 20 30 CHEDMO C=CCCCCC[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000531255009 1125204852 /nfs/dbraw/zinc/20/48/52/1125204852.db2.gz QVFNTCYIJWSTLT-UHFFFAOYSA-N 1 1 276.424 3.503 20 30 CHEDMO C[N@H+](Cc1c(Cl)cccc1C#N)CC1CCCC1 ZINC001143731124 1131528714 /nfs/dbraw/zinc/52/87/14/1131528714.db2.gz LWWLVVRMQNDMJO-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cnc(OC)s1 ZINC001139817465 1131638447 /nfs/dbraw/zinc/63/84/47/1131638447.db2.gz RHRLIYWDSFWNHK-UHFFFAOYSA-N 1 1 270.442 3.944 20 30 CHEDMO Cc1ccc(C(F)(F)F)cc1C[NH+]1CCC(C#N)CC1 ZINC001139883642 1131646632 /nfs/dbraw/zinc/64/66/32/1131646632.db2.gz BCBILMICAFSAGD-UHFFFAOYSA-N 1 1 282.309 3.749 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1C ZINC001141164063 1132032516 /nfs/dbraw/zinc/03/25/16/1132032516.db2.gz HZKXHNCWCDWPHV-CHWSQXEVSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171520343 1132050887 /nfs/dbraw/zinc/05/08/87/1132050887.db2.gz AURLRUDLKWRWMN-HUUCEWRRSA-N 1 1 281.440 3.642 20 30 CHEDMO CCCC[N@H+](CC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171929813 1132113887 /nfs/dbraw/zinc/11/38/87/1132113887.db2.gz LUYFXTCAFKXVBX-UHFFFAOYSA-N 1 1 294.439 3.513 20 30 CHEDMO CCCC[N@@H+](CC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171929813 1132113891 /nfs/dbraw/zinc/11/38/91/1132113891.db2.gz LUYFXTCAFKXVBX-UHFFFAOYSA-N 1 1 294.439 3.513 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+]Cc1noc(C)n1 ZINC001172347438 1132180914 /nfs/dbraw/zinc/18/09/14/1132180914.db2.gz UVJAINKYJNVZEI-CYBMUJFWSA-N 1 1 253.390 3.607 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001172355537 1132184164 /nfs/dbraw/zinc/18/41/64/1132184164.db2.gz CGBRWKAZBHQRPH-ARFHVFGLSA-N 1 1 253.430 3.989 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+]C1(C(=O)OC)CCC1 ZINC001172347732 1132181204 /nfs/dbraw/zinc/18/12/04/1132181204.db2.gz YUEPHJHXYXUCCX-AWEZNQCLSA-N 1 1 269.429 3.811 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CCOCC ZINC001172429152 1132205704 /nfs/dbraw/zinc/20/57/04/1132205704.db2.gz UIWKBLCXZRDBQZ-MRXNPFEDSA-N 1 1 261.409 3.880 20 30 CHEDMO CC(C)COCC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001172472653 1132225824 /nfs/dbraw/zinc/22/58/24/1132225824.db2.gz ZPIUUKYQEIDIAR-OAHLLOKOSA-N 1 1 266.429 3.596 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172501345 1132249908 /nfs/dbraw/zinc/24/99/08/1132249908.db2.gz QARRDRLUWPCVPH-KGLIPLIRSA-N 1 1 260.381 3.770 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@](F)(CO)C1 ZINC001172509114 1132256809 /nfs/dbraw/zinc/25/68/09/1132256809.db2.gz SUEMKDLSEUXBED-JKSUJKDBSA-N 1 1 273.436 3.922 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC001231620924 1132326235 /nfs/dbraw/zinc/32/62/35/1132326235.db2.gz IHOVHOLWINJSCF-OAHLLOKOSA-N 1 1 259.393 3.873 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC001232115307 1132423729 /nfs/dbraw/zinc/42/37/29/1132423729.db2.gz KDTPXDASWWLPLO-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO CCCCCCCC[C@@H](CCC)n1cnc(C[NH3+])n1 ZINC001173309291 1132449609 /nfs/dbraw/zinc/44/96/09/1132449609.db2.gz GWGQADYNAQQZQY-CQSZACIVSA-N 1 1 266.433 3.829 20 30 CHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001173308657 1132449626 /nfs/dbraw/zinc/44/96/26/1132449626.db2.gz BYTPXWXBUODRMH-BZSNNMDCSA-N 1 1 299.499 3.581 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCCC[C@H](C)C2)CC1 ZINC001173321550 1132460624 /nfs/dbraw/zinc/46/06/24/1132460624.db2.gz LWOWHQRIUYYOED-FHERZECASA-N 1 1 251.414 3.622 20 30 CHEDMO Fc1ccc(C[NH+]2CCC(S)CC2)c(Cl)c1F ZINC001232877628 1132535281 /nfs/dbraw/zinc/53/52/81/1132535281.db2.gz LBWZTUGHHSBXES-UHFFFAOYSA-N 1 1 277.767 3.512 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001232888844 1132536761 /nfs/dbraw/zinc/53/67/61/1132536761.db2.gz QULNASUBKJYWKQ-CHWSQXEVSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CCCCCCCCCC[N@H+](C)CCC1OCCO1 ZINC001207898896 1133858584 /nfs/dbraw/zinc/85/85/84/1133858584.db2.gz HEBDPSITZNILSJ-UHFFFAOYSA-N 1 1 283.456 3.988 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@@H](C)C1 ZINC001209443641 1134021670 /nfs/dbraw/zinc/02/16/70/1134021670.db2.gz YGBAERZQBDIMCR-INIZCTEOSA-N 1 1 253.430 3.871 20 30 CHEDMO C=CCCCCCCCCCOC[C@@H]1C[N@H+](C)CCO1 ZINC001224915247 1135493316 /nfs/dbraw/zinc/49/33/16/1135493316.db2.gz FGRUUZXUUAZOJI-KRWDZBQOSA-N 1 1 283.456 3.640 20 30 CHEDMO C=CCCCCCCCCCOC[C@@H]1C[N@@H+](C)CCO1 ZINC001224915247 1135493323 /nfs/dbraw/zinc/49/33/23/1135493323.db2.gz FGRUUZXUUAZOJI-KRWDZBQOSA-N 1 1 283.456 3.640 20 30 CHEDMO C=CCCCCCCCCCOC[C@H]1C[N@H+](C)CCO1 ZINC001224915248 1135493680 /nfs/dbraw/zinc/49/36/80/1135493680.db2.gz FGRUUZXUUAZOJI-QGZVFWFLSA-N 1 1 283.456 3.640 20 30 CHEDMO C=CCCCCCCCCCOC[C@H]1C[N@@H+](C)CCO1 ZINC001224915248 1135493681 /nfs/dbraw/zinc/49/36/81/1135493681.db2.gz FGRUUZXUUAZOJI-QGZVFWFLSA-N 1 1 283.456 3.640 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000118390682 1125522262 /nfs/dbraw/zinc/52/22/62/1125522262.db2.gz SBHPKAILSSAZAX-CYBMUJFWSA-N 1 1 254.333 3.653 20 30 CHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCC(C)(C)C#N)CCC2 ZINC000119919331 1125539330 /nfs/dbraw/zinc/53/93/30/1125539330.db2.gz ZOERLHPGLFRHCG-CYBMUJFWSA-N 1 1 277.437 3.701 20 30 CHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000057620966 1125540308 /nfs/dbraw/zinc/54/03/08/1125540308.db2.gz BOHVHBFVPYFSLL-MRXNPFEDSA-N 1 1 288.391 3.535 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000245411579 1125571573 /nfs/dbraw/zinc/57/15/73/1125571573.db2.gz XMYIIVURMDFHSV-RDJZCZTQSA-N 1 1 286.419 3.778 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CC[C@H]1c1ccccc1 ZINC000245494799 1125576044 /nfs/dbraw/zinc/57/60/44/1125576044.db2.gz ODRWWMNADYIEKD-NVXWUHKLSA-N 1 1 288.460 3.759 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000532744780 1125576063 /nfs/dbraw/zinc/57/60/63/1125576063.db2.gz GWMYGAKXJJCDQR-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)oc1C ZINC000800482120 1125587109 /nfs/dbraw/zinc/58/71/09/1125587109.db2.gz OPLQQOQUCCFECN-NSHDSACASA-N 1 1 272.323 3.758 20 30 CHEDMO C=CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000533538214 1125613180 /nfs/dbraw/zinc/61/31/80/1125613180.db2.gz YMLDXEXMCHAOEH-CQSZACIVSA-N 1 1 256.349 3.931 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000053906507 1125626104 /nfs/dbraw/zinc/62/61/04/1125626104.db2.gz JPDBMZYGCGMDQE-CYBMUJFWSA-N 1 1 268.335 3.890 20 30 CHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885961012 1125629803 /nfs/dbraw/zinc/62/98/03/1125629803.db2.gz SRKNPSVCLROCLF-FUHWJXTLSA-N 1 1 298.430 3.577 20 30 CHEDMO N#CCSCCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000074981925 1125644196 /nfs/dbraw/zinc/64/41/96/1125644196.db2.gz AZJBMXYYNVOYNU-KRWDZBQOSA-N 1 1 288.460 3.730 20 30 CHEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886072891 1125644585 /nfs/dbraw/zinc/64/45/85/1125644585.db2.gz OCWPTPDKIMQTAE-SJORKVTESA-N 1 1 298.430 3.514 20 30 CHEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886072889 1125644692 /nfs/dbraw/zinc/64/46/92/1125644692.db2.gz OCWPTPDKIMQTAE-IAGOWNOFSA-N 1 1 298.430 3.514 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000049525849 1125649325 /nfs/dbraw/zinc/64/93/25/1125649325.db2.gz OAEBAXFGVIVVQU-ZWNOBZJWSA-N 1 1 281.197 3.792 20 30 CHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC000886136923 1125655283 /nfs/dbraw/zinc/65/52/83/1125655283.db2.gz YYYPACQVFOJYAV-ZWKOTPCHSA-N 1 1 298.430 3.658 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000218981525 1125666792 /nfs/dbraw/zinc/66/67/92/1125666792.db2.gz YMUPACBEYFFYOD-UHFFFAOYSA-N 1 1 271.335 3.720 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCc2ccccc21 ZINC000179203698 1125695418 /nfs/dbraw/zinc/69/54/18/1125695418.db2.gz BHMVKCQGAIHQGF-SFHVURJKSA-N 1 1 292.407 3.742 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCc2ccccc21 ZINC000179203698 1125695423 /nfs/dbraw/zinc/69/54/23/1125695423.db2.gz BHMVKCQGAIHQGF-SFHVURJKSA-N 1 1 292.407 3.742 20 30 CHEDMO COc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000614963950 1125699789 /nfs/dbraw/zinc/69/97/89/1125699789.db2.gz PEVXBQIUXDDTNE-CRAIPNDOSA-N 1 1 286.419 3.999 20 30 CHEDMO COc1cc(C)c([C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000614963950 1125699795 /nfs/dbraw/zinc/69/97/95/1125699795.db2.gz PEVXBQIUXDDTNE-CRAIPNDOSA-N 1 1 286.419 3.999 20 30 CHEDMO CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)cc1 ZINC000886683960 1125707409 /nfs/dbraw/zinc/70/74/09/1125707409.db2.gz AZYCJZDCRSPWEL-INIZCTEOSA-N 1 1 281.359 3.665 20 30 CHEDMO CSc1ccc(C[NH2+][C@H](C)c2nccs2)cc1C#N ZINC000886688364 1125709157 /nfs/dbraw/zinc/70/91/57/1125709157.db2.gz PWZKRBAPHHETPB-SNVBAGLBSA-N 1 1 289.429 3.587 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)CCCOc1ccc2ccccc2c1 ZINC000161947762 1125714821 /nfs/dbraw/zinc/71/48/21/1125714821.db2.gz DPCXAFKYAVFCMO-OAHLLOKOSA-N 1 1 282.387 3.843 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1ccc2ccccc2c1 ZINC000161947762 1125714827 /nfs/dbraw/zinc/71/48/27/1125714827.db2.gz DPCXAFKYAVFCMO-OAHLLOKOSA-N 1 1 282.387 3.843 20 30 CHEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238685475 1131231251 /nfs/dbraw/zinc/23/12/51/1131231251.db2.gz QSBDVYHTTNKSOL-AWEZNQCLSA-N 1 1 297.789 3.747 20 30 CHEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238685475 1131231254 /nfs/dbraw/zinc/23/12/54/1131231254.db2.gz QSBDVYHTTNKSOL-AWEZNQCLSA-N 1 1 297.789 3.747 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)CCCSCc1ccccc1 ZINC000090552288 1125742488 /nfs/dbraw/zinc/74/24/88/1125742488.db2.gz POZFTOIOUGYLAN-AWEZNQCLSA-N 1 1 262.422 3.544 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCCSCc1ccccc1 ZINC000090552288 1125742492 /nfs/dbraw/zinc/74/24/92/1125742492.db2.gz POZFTOIOUGYLAN-AWEZNQCLSA-N 1 1 262.422 3.544 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000092224913 1125758203 /nfs/dbraw/zinc/75/82/03/1125758203.db2.gz HDOZZVWLVJOSAL-SFHVURJKSA-N 1 1 282.362 3.655 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C)cs1 ZINC000192176994 1125759965 /nfs/dbraw/zinc/75/99/65/1125759965.db2.gz UDPLFRGBKLARSM-AWEZNQCLSA-N 1 1 289.379 3.703 20 30 CHEDMO Cc1cccnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000093168609 1125767711 /nfs/dbraw/zinc/76/77/11/1125767711.db2.gz FPVFRULFIRKQHR-UHFFFAOYSA-N 1 1 279.387 3.672 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000348056854 1129278286 /nfs/dbraw/zinc/27/82/86/1129278286.db2.gz OKHOFIOFEBTZMC-NSHDSACASA-N 1 1 264.319 3.748 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000348056854 1129278289 /nfs/dbraw/zinc/27/82/89/1129278289.db2.gz OKHOFIOFEBTZMC-NSHDSACASA-N 1 1 264.319 3.748 20 30 CHEDMO C=C(Cl)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736945244 1129382174 /nfs/dbraw/zinc/38/21/74/1129382174.db2.gz FSXMXKURIKJOJZ-WCQYABFASA-N 1 1 253.748 3.756 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000739930192 1129409579 /nfs/dbraw/zinc/40/95/79/1129409579.db2.gz JWBYVFARXQKBKX-INIZCTEOSA-N 1 1 265.372 3.537 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000740877725 1129423334 /nfs/dbraw/zinc/42/33/34/1129423334.db2.gz XXSGIJCOXFWURI-KRWDZBQOSA-N 1 1 279.424 3.631 20 30 CHEDMO C=C(C)C[N@H+](CCCCCC)Cc1ccc(CO)o1 ZINC000796382524 1129581207 /nfs/dbraw/zinc/58/12/07/1129581207.db2.gz AZKRVMZQOYQGOG-UHFFFAOYSA-N 1 1 265.397 3.730 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000766907191 1129770307 /nfs/dbraw/zinc/77/03/07/1129770307.db2.gz WRUPFCXKLFKBRO-OAHLLOKOSA-N 1 1 292.220 3.999 20 30 CHEDMO CCOc1ccc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001238710401 1131236147 /nfs/dbraw/zinc/23/61/47/1131236147.db2.gz COINOPWREILSEZ-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@H]2CCCO2)no1 ZINC000900012012 1129856509 /nfs/dbraw/zinc/85/65/09/1129856509.db2.gz PEASJYQGMOZEOC-QWHCGFSZSA-N 1 1 281.400 3.672 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788646877 1130197595 /nfs/dbraw/zinc/19/75/95/1130197595.db2.gz TUJOWGBNAVVBKM-MRVPVSSYSA-N 1 1 279.689 3.814 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000150899058 1126747741 /nfs/dbraw/zinc/74/77/41/1126747741.db2.gz MJGQTEGDMLBCNY-CQSZACIVSA-N 1 1 299.418 3.662 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(C)cc1Br ZINC000159638190 1126749162 /nfs/dbraw/zinc/74/91/62/1126749162.db2.gz RYFRGCAXNSEJAJ-UHFFFAOYSA-N 1 1 274.589 3.600 20 30 CHEDMO CCCCCCCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224570879 1126752492 /nfs/dbraw/zinc/75/24/92/1126752492.db2.gz VZXPIOFLRIZBLR-ZSHCYNCHSA-N 1 1 253.430 3.989 20 30 CHEDMO Fc1ccc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000483096040 1126766679 /nfs/dbraw/zinc/76/66/79/1126766679.db2.gz BZPHWEBPJCWWHJ-SFHVURJKSA-N 1 1 279.358 3.667 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000174882198 1126774689 /nfs/dbraw/zinc/77/46/89/1126774689.db2.gz ODJUFPIJSGRQOB-WBVHZDCISA-N 1 1 286.419 3.778 20 30 CHEDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cccc(C#N)c1)CCC2 ZINC000780408496 1126784093 /nfs/dbraw/zinc/78/40/93/1126784093.db2.gz KPXSIJKGXBHROY-QGZVFWFLSA-N 1 1 294.402 3.503 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](CC#N)C1 ZINC001170283389 1130479034 /nfs/dbraw/zinc/47/90/34/1130479034.db2.gz KSBIXRLFABJZCD-ZIAGYGMSSA-N 1 1 276.811 3.897 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)ccc1Cl ZINC000483529490 1126790787 /nfs/dbraw/zinc/79/07/87/1126790787.db2.gz ZLRUMLFXRXWQLC-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO N#CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175863365 1126786216 /nfs/dbraw/zinc/78/62/16/1126786216.db2.gz QVPQSDPBQSDXLN-GJZGRUSLSA-N 1 1 292.448 3.720 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000483518196 1126790910 /nfs/dbraw/zinc/79/09/10/1126790910.db2.gz LMSGBWMCGUOYMY-UHFFFAOYSA-N 1 1 269.775 3.824 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000483516683 1126791140 /nfs/dbraw/zinc/79/11/40/1126791140.db2.gz QAZTZIDYLKCJHA-KRWDZBQOSA-N 1 1 267.397 3.937 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000483589444 1126793711 /nfs/dbraw/zinc/79/37/11/1126793711.db2.gz FQLZMMYMYKXAAL-UHFFFAOYSA-N 1 1 288.391 3.823 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483939491 1126806982 /nfs/dbraw/zinc/80/69/82/1126806982.db2.gz JXILQQLZRMSJSP-CHWSQXEVSA-N 1 1 260.356 3.708 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@H](CC)c1ccc(F)c(F)c1 ZINC001255163906 1130530169 /nfs/dbraw/zinc/53/01/69/1130530169.db2.gz ITZIDPKDCXAKJQ-BXUZGUMPSA-N 1 1 252.308 3.698 20 30 CHEDMO C=CC[C@@H](OC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001224701843 1126814278 /nfs/dbraw/zinc/81/42/78/1126814278.db2.gz IRJRYAGTZZKMIM-IAGOWNOFSA-N 1 1 259.393 3.805 20 30 CHEDMO CCn1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000181578356 1126857547 /nfs/dbraw/zinc/85/75/47/1126857547.db2.gz UOFPFWJLCKKLPT-WMLDXEAASA-N 1 1 282.391 3.599 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc3[nH]ccc32)no1 ZINC000904563099 1126858770 /nfs/dbraw/zinc/85/87/70/1126858770.db2.gz HOCVHSYFBCGQQK-CYBMUJFWSA-N 1 1 282.347 3.574 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC000904723932 1126866676 /nfs/dbraw/zinc/86/66/76/1126866676.db2.gz IGUXLFGGZHUXOP-LBPRGKRZSA-N 1 1 295.745 3.885 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000904722174 1126867170 /nfs/dbraw/zinc/86/71/70/1126867170.db2.gz QUNXRJDXXAMLLD-OAHLLOKOSA-N 1 1 297.402 3.814 20 30 CHEDMO C=C(C)[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450914 1126906805 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COCc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)o1 ZINC000192191698 1126958951 /nfs/dbraw/zinc/95/89/51/1126958951.db2.gz IQDWKPRITUVXGL-GOSISDBHSA-N 1 1 295.382 3.615 20 30 CHEDMO COCc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)o1 ZINC000192191698 1126958952 /nfs/dbraw/zinc/95/89/52/1126958952.db2.gz IQDWKPRITUVXGL-GOSISDBHSA-N 1 1 295.382 3.615 20 30 CHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)o1 ZINC000192191695 1126959424 /nfs/dbraw/zinc/95/94/24/1126959424.db2.gz IQDWKPRITUVXGL-SFHVURJKSA-N 1 1 295.382 3.615 20 30 CHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)o1 ZINC000192191695 1126959427 /nfs/dbraw/zinc/95/94/27/1126959427.db2.gz IQDWKPRITUVXGL-SFHVURJKSA-N 1 1 295.382 3.615 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000906598178 1126961003 /nfs/dbraw/zinc/96/10/03/1126961003.db2.gz UEUZICHMQAAWPQ-HOTGVXAUSA-N 1 1 286.375 3.747 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000267166912 1126994274 /nfs/dbraw/zinc/99/42/74/1126994274.db2.gz 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COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)ccn1 ZINC000348751131 1127126856 /nfs/dbraw/zinc/12/68/56/1127126856.db2.gz DNCVSEXECJQRNO-NEPJUHHUSA-N 1 1 299.349 3.513 20 30 CHEDMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(C#N)cc1 ZINC000348810483 1127128310 /nfs/dbraw/zinc/12/83/10/1127128310.db2.gz RUQYPOYZOFGPND-LBPRGKRZSA-N 1 1 276.343 3.618 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000350115301 1127173089 /nfs/dbraw/zinc/17/30/89/1127173089.db2.gz MBEUHKWYDNLICZ-ZDUSSCGKSA-N 1 1 256.459 3.780 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CC1 ZINC000350258222 1127176040 /nfs/dbraw/zinc/17/60/40/1127176040.db2.gz BWJXLLYQDRHHHG-UHFFFAOYSA-N 1 1 264.372 3.899 20 30 CHEDMO CC[N@@H+](CCc1cscn1)[C@H](C)c1ccc(C#N)cc1 ZINC000284353776 1127181294 /nfs/dbraw/zinc/18/12/94/1127181294.db2.gz SHOKJAXUKKLGQU-CYBMUJFWSA-N 1 1 285.416 3.640 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000588216020 1127182296 /nfs/dbraw/zinc/18/22/96/1127182296.db2.gz DBEKTMMXKASYFS-UHFFFAOYSA-N 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C[C@H]([NH2+]Cc1cccc(O)c1Cl)c1cccc(C#N)c1 ZINC000590186877 1127250416 /nfs/dbraw/zinc/25/04/16/1127250416.db2.gz RBYYYQWYUANWFR-NSHDSACASA-N 1 1 286.762 3.768 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOC(C)(C)C ZINC000591853670 1127255481 /nfs/dbraw/zinc/25/54/81/1127255481.db2.gz VYILKMYWQKMVHE-CQSZACIVSA-N 1 1 274.408 3.756 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000286177938 1127262104 /nfs/dbraw/zinc/26/21/04/1127262104.db2.gz OZMNCWWFRDOKFX-UHFFFAOYSA-N 1 1 274.389 3.555 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000286177938 1127262106 /nfs/dbraw/zinc/26/21/06/1127262106.db2.gz OZMNCWWFRDOKFX-UHFFFAOYSA-N 1 1 274.389 3.555 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1Cl ZINC001238188835 1131178269 /nfs/dbraw/zinc/17/82/69/1131178269.db2.gz IITTWECBAJGGQJ-UHFFFAOYSA-N 1 1 284.737 3.833 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CCCC(F)(F)CC2)ccc1Cl ZINC001238188835 1131178274 /nfs/dbraw/zinc/17/82/74/1131178274.db2.gz IITTWECBAJGGQJ-UHFFFAOYSA-N 1 1 284.737 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CCCC[N@@H+](CCCCC#N)[C@H]1CCc2ncsc2C1 ZINC000592188817 1127337887 /nfs/dbraw/zinc/33/78/87/1127337887.db2.gz PVVWIMVEVKASTF-AWEZNQCLSA-N 1 1 291.464 3.796 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592194030 1127346313 /nfs/dbraw/zinc/34/63/13/1127346313.db2.gz OFEBYPNDJJEDHD-HUUCEWRRSA-N 1 1 284.403 3.653 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1C#N ZINC000355576484 1127350314 /nfs/dbraw/zinc/35/03/14/1127350314.db2.gz BZJZOFQWNIFEFA-HNNXBMFYSA-N 1 1 272.392 3.577 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000355726385 1127360527 /nfs/dbraw/zinc/36/05/27/1127360527.db2.gz ARDHCJHQIPAVHC-OAHLLOKOSA-N 1 1 282.387 3.839 20 30 CHEDMO CC(C)(C)OC(=O)C1([NH2+]CCCCC#N)CCCCCC1 ZINC000593063411 1127367260 /nfs/dbraw/zinc/36/72/60/1127367260.db2.gz OWPPFHJMXNPBCR-UHFFFAOYSA-N 1 1 294.439 3.705 20 30 CHEDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1CCC#N ZINC000593049902 1127370033 /nfs/dbraw/zinc/37/00/33/1127370033.db2.gz PZPUYXVFLJLYRJ-HNNXBMFYSA-N 1 1 262.784 3.651 20 30 CHEDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCC#N ZINC000593049902 1127370037 /nfs/dbraw/zinc/37/00/37/1127370037.db2.gz PZPUYXVFLJLYRJ-HNNXBMFYSA-N 1 1 262.784 3.651 20 30 CHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CCCCC#N)cc1 ZINC000593080083 1127372751 /nfs/dbraw/zinc/37/27/51/1127372751.db2.gz DSNLZFQHAVHISK-QGZVFWFLSA-N 1 1 286.419 3.786 20 30 CHEDMO CC[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000593407347 1127383144 /nfs/dbraw/zinc/38/31/44/1127383144.db2.gz RMDXTAMZYYQQKO-ZBFHGGJFSA-N 1 1 299.418 3.549 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1n[nH]cc1C)c1ccccc1 ZINC000289480362 1127383238 /nfs/dbraw/zinc/38/32/38/1127383238.db2.gz JZTLTZIZLNKTMC-HNNXBMFYSA-N 1 1 255.365 3.515 20 30 CHEDMO CC[N@@H+](CCNc1cc(C#N)ccc1C(F)(F)F)C(C)C ZINC000357230312 1127388352 /nfs/dbraw/zinc/38/83/52/1127388352.db2.gz BWYWLIGYINQCRJ-UHFFFAOYSA-N 1 1 299.340 3.719 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](CC)c2ccncc2)cc1 ZINC000290296596 1127389028 /nfs/dbraw/zinc/38/90/28/1127389028.db2.gz AWZGXWBEGWCMMG-SFHVURJKSA-N 1 1 264.372 3.646 20 30 CHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000058822987 1127389612 /nfs/dbraw/zinc/38/96/12/1127389612.db2.gz QNLNCMBTABDXBE-UHFFFAOYSA-N 1 1 294.398 3.848 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCCC1 ZINC000593654373 1127393812 /nfs/dbraw/zinc/39/38/12/1127393812.db2.gz BKEKEOXPTJJQGY-UHFFFAOYSA-N 1 1 266.747 3.653 20 30 CHEDMO CC(C)Cn1nccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000592516636 1127394111 /nfs/dbraw/zinc/39/41/11/1127394111.db2.gz ROZQOFOFCIBGLO-OAHLLOKOSA-N 1 1 296.418 3.604 20 30 CHEDMO CC(C)Cn1nccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000592516636 1127394116 /nfs/dbraw/zinc/39/41/16/1127394116.db2.gz ROZQOFOFCIBGLO-OAHLLOKOSA-N 1 1 296.418 3.604 20 30 CHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000592525363 1127396604 /nfs/dbraw/zinc/39/66/04/1127396604.db2.gz KQRMJPDUZAVDED-SFHVURJKSA-N 1 1 298.361 3.888 20 30 CHEDMO FC(F)(F)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000761045315 1127409166 /nfs/dbraw/zinc/40/91/66/1127409166.db2.gz FYTNGTLOKZLKTO-LBPRGKRZSA-N 1 1 287.712 3.576 20 30 CHEDMO FC(F)(F)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000761045315 1127409168 /nfs/dbraw/zinc/40/91/68/1127409168.db2.gz FYTNGTLOKZLKTO-LBPRGKRZSA-N 1 1 287.712 3.576 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000358293470 1127413724 /nfs/dbraw/zinc/41/37/24/1127413724.db2.gz XAHFJWGIWYWQLL-LLVKDONJSA-N 1 1 277.418 3.653 20 30 CHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000358498119 1127424374 /nfs/dbraw/zinc/42/43/74/1127424374.db2.gz POZSKKITYMWCQB-INIZCTEOSA-N 1 1 292.467 3.504 20 30 CHEDMO C[C@@H](Cc1ccccc1)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594610281 1127425415 /nfs/dbraw/zinc/42/54/15/1127425415.db2.gz ADFXEUKNTYIWPH-HNNXBMFYSA-N 1 1 276.383 3.753 20 30 CHEDMO CCc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000594970566 1127437497 /nfs/dbraw/zinc/43/74/97/1127437497.db2.gz YKQFDMASQDLOTH-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO Cc1ccc(F)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980797 1127443334 /nfs/dbraw/zinc/44/33/34/1127443334.db2.gz BBFYEAGMIILQLZ-UHFFFAOYSA-N 1 1 260.356 3.698 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC000595290211 1127457139 /nfs/dbraw/zinc/45/71/39/1127457139.db2.gz STBNUIMQWUTWAO-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595101658 1127452589 /nfs/dbraw/zinc/45/25/89/1127452589.db2.gz YSUCRLVDEGKRON-CQSZACIVSA-N 1 1 299.418 3.770 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCOc3ccccc32)CCCCC1 ZINC000595091073 1127454690 /nfs/dbraw/zinc/45/46/90/1127454690.db2.gz MZAJEEDMWHSCRV-INIZCTEOSA-N 1 1 284.403 3.964 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1N(C)C ZINC000595092001 1127454714 /nfs/dbraw/zinc/45/47/14/1127454714.db2.gz UJTNSRBKTYSYST-OAHLLOKOSA-N 1 1 285.435 3.877 20 30 CHEDMO CC[N@@H+](C[C@H](OC)C1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295597 1127457035 /nfs/dbraw/zinc/45/70/35/1127457035.db2.gz MJWRNGICVYWKFY-KSSFIOAISA-N 1 1 286.419 3.756 20 30 CHEDMO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)co1 ZINC000595296916 1127457714 /nfs/dbraw/zinc/45/77/14/1127457714.db2.gz NXFJVXWMMOXDPA-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)co1 ZINC000595296916 1127457717 /nfs/dbraw/zinc/45/77/17/1127457717.db2.gz NXFJVXWMMOXDPA-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000595297430 1127458080 /nfs/dbraw/zinc/45/80/80/1127458080.db2.gz TXIUALJMAAFVQM-IBGZPJMESA-N 1 1 276.383 3.590 20 30 CHEDMO C[C@H]1c2ccccc2C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595337476 1127458952 /nfs/dbraw/zinc/45/89/52/1127458952.db2.gz MJYOCVWZJJAKQV-AWEZNQCLSA-N 1 1 262.356 3.678 20 30 CHEDMO N#CCC[N@@H+](CC[C@@H]1CCc2ccccc21)CC1CC1 ZINC000595334679 1127459130 /nfs/dbraw/zinc/45/91/30/1127459130.db2.gz SZIDSEXSWMGGCD-KRWDZBQOSA-N 1 1 268.404 3.732 20 30 CHEDMO N#Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000595325372 1127459409 /nfs/dbraw/zinc/45/94/09/1127459409.db2.gz GTISHOVBDSBZJK-LJQANCHMSA-N 1 1 298.430 3.524 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595380107 1127461411 /nfs/dbraw/zinc/46/14/11/1127461411.db2.gz KANMRBGPFBPBAA-CQSZACIVSA-N 1 1 280.371 3.919 20 30 CHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595429729 1127462243 /nfs/dbraw/zinc/46/22/43/1127462243.db2.gz JGSUDQXNIADBGT-SWLSCSKDSA-N 1 1 296.336 3.764 20 30 CHEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCCC#N ZINC000595516242 1127464732 /nfs/dbraw/zinc/46/47/32/1127464732.db2.gz RBDDZEGOFVWDNQ-JTQLQIEISA-N 1 1 276.771 3.513 20 30 CHEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCC#N ZINC000595516242 1127464733 /nfs/dbraw/zinc/46/47/33/1127464733.db2.gz RBDDZEGOFVWDNQ-JTQLQIEISA-N 1 1 276.771 3.513 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359551908 1127467040 /nfs/dbraw/zinc/46/70/40/1127467040.db2.gz FQMVKJVYRODZBJ-RDTXWAMCSA-N 1 1 284.403 3.579 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359551905 1127467349 /nfs/dbraw/zinc/46/73/49/1127467349.db2.gz FQMVKJVYRODZBJ-KBXCAEBGSA-N 1 1 284.403 3.579 20 30 CHEDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616733 1127467927 /nfs/dbraw/zinc/46/79/27/1127467927.db2.gz WQBPIWGVBWVYED-CJNGLKHVSA-N 1 1 260.356 3.902 20 30 CHEDMO CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623652 1127468990 /nfs/dbraw/zinc/46/89/90/1127468990.db2.gz WHHMARLRUCMLQP-CYBMUJFWSA-N 1 1 292.810 3.864 20 30 CHEDMO CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623652 1127468992 /nfs/dbraw/zinc/46/89/92/1127468992.db2.gz WHHMARLRUCMLQP-CYBMUJFWSA-N 1 1 292.810 3.864 20 30 CHEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000595593688 1127469218 /nfs/dbraw/zinc/46/92/18/1127469218.db2.gz SOWLUFUWRIWRAN-NSHDSACASA-N 1 1 282.334 3.780 20 30 CHEDMO CC1(C)C[C@@H]([N@@H+](CCCCC#N)Cc2ccccc2)CO1 ZINC000595638772 1127469688 /nfs/dbraw/zinc/46/96/88/1127469688.db2.gz UZTRGZAFQJNFAE-QGZVFWFLSA-N 1 1 286.419 3.750 20 30 CHEDMO Cc1ccc(OCCC[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000595610970 1127469893 /nfs/dbraw/zinc/46/98/93/1127469893.db2.gz FHBKNPTYGNOFEC-KRWDZBQOSA-N 1 1 286.419 3.698 20 30 CHEDMO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cscn1 ZINC000595666970 1127471984 /nfs/dbraw/zinc/47/19/84/1127471984.db2.gz NHFVQVJPXAGHNR-LBPRGKRZSA-N 1 1 263.410 3.658 20 30 CHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595704350 1127472570 /nfs/dbraw/zinc/47/25/70/1127472570.db2.gz PTFYFOWBWAKVKV-GOSISDBHSA-N 1 1 296.345 3.523 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784876 1127476433 /nfs/dbraw/zinc/47/64/33/1127476433.db2.gz CEELIBHWNWTDEU-DLBZAZTESA-N 1 1 292.467 3.988 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595785335 1127476629 /nfs/dbraw/zinc/47/66/29/1127476629.db2.gz DPGRSWNQPTZAEL-OALUTQOASA-N 1 1 298.430 3.534 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784877 1127476703 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CCC[N@H+](CC)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360655897 1127504279 /nfs/dbraw/zinc/50/42/79/1127504279.db2.gz FJRWXMPWQSVUAG-IBGZPJMESA-N 1 1 299.462 3.647 20 30 CHEDMO CCC[N@@H+](CC)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360655897 1127504280 /nfs/dbraw/zinc/50/42/80/1127504280.db2.gz FJRWXMPWQSVUAG-IBGZPJMESA-N 1 1 299.462 3.647 20 30 CHEDMO CC(C)[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000060208215 1127508821 /nfs/dbraw/zinc/50/88/21/1127508821.db2.gz TUUWTYCPJQDQLM-UHFFFAOYSA-N 1 1 294.398 3.848 20 30 CHEDMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596978411 1127522633 /nfs/dbraw/zinc/52/26/33/1127522633.db2.gz XKOPTMFGEKIMHC-HNNXBMFYSA-N 1 1 291.398 3.620 20 30 CHEDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596978411 1127522635 /nfs/dbraw/zinc/52/26/35/1127522635.db2.gz XKOPTMFGEKIMHC-HNNXBMFYSA-N 1 1 291.398 3.620 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000596983537 1127523168 /nfs/dbraw/zinc/52/31/68/1127523168.db2.gz 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1127605829 /nfs/dbraw/zinc/60/58/29/1127605829.db2.gz HTNDRDVIYQUQGK-UHFFFAOYSA-N 1 1 298.217 3.749 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000602663158 1127603540 /nfs/dbraw/zinc/60/35/40/1127603540.db2.gz JREYGOWKLBKQGU-UPJWGTAASA-N 1 1 276.346 3.979 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000602696153 1127605071 /nfs/dbraw/zinc/60/50/71/1127605071.db2.gz ILTWBAOTHBHMQS-CPUCHLNUSA-N 1 1 290.382 3.527 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000602696153 1127605072 /nfs/dbraw/zinc/60/50/72/1127605072.db2.gz ILTWBAOTHBHMQS-CPUCHLNUSA-N 1 1 290.382 3.527 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000602720375 1127608520 /nfs/dbraw/zinc/60/85/20/1127608520.db2.gz CNSASZXJIICCHG-GOEBONIOSA-N 1 1 256.393 3.588 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000602720378 1127608738 /nfs/dbraw/zinc/60/87/38/1127608738.db2.gz CNSASZXJIICCHG-ZBFHGGJFSA-N 1 1 256.393 3.588 20 30 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C[C@H](CCC#N)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602928693 1127621642 /nfs/dbraw/zinc/62/16/42/1127621642.db2.gz OQPXFUBQCAPSTQ-LLVKDONJSA-N 1 1 282.309 3.756 20 30 CHEDMO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000602927941 1127621727 /nfs/dbraw/zinc/62/17/27/1127621727.db2.gz ZNKDVCPRIULHHR-AWEZNQCLSA-N 1 1 296.418 3.585 20 30 CHEDMO C[N@@H+](CCCc1c(F)cccc1F)[C@H]1CCC[C@H]1C#N ZINC000602982702 1127624112 /nfs/dbraw/zinc/62/41/12/1127624112.db2.gz WZDUVHBNIBXBBR-LRDDRELGSA-N 1 1 278.346 3.521 20 30 CHEDMO CSc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602975464 1127624785 /nfs/dbraw/zinc/62/47/85/1127624785.db2.gz BGEZKTYJGITAGI-HIFRSBDPSA-N 1 1 260.406 3.533 20 30 CHEDMO CSc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602975464 1127624787 /nfs/dbraw/zinc/62/47/87/1127624787.db2.gz BGEZKTYJGITAGI-HIFRSBDPSA-N 1 1 260.406 3.533 20 30 CHEDMO CCC[N@H+](Cc1ccc(C)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598584408 1127626379 /nfs/dbraw/zinc/62/63/79/1127626379.db2.gz 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N#Cc1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)ccc1F ZINC000468277054 1128001558 /nfs/dbraw/zinc/00/15/58/1128001558.db2.gz CTBNQSNAMRSOJL-QGZVFWFLSA-N 1 1 280.346 3.514 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000542210168 1128058162 /nfs/dbraw/zinc/05/81/62/1128058162.db2.gz QCTXLLIUHKFBGO-HXUWFJFHSA-N 1 1 290.410 3.960 20 30 CHEDMO C=CCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470208859 1128065652 /nfs/dbraw/zinc/06/56/52/1128065652.db2.gz USUXFSSTVJQKRC-JLHYYAGUSA-N 1 1 260.337 3.506 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000470775547 1128076985 /nfs/dbraw/zinc/07/69/85/1128076985.db2.gz ZFQKSLJJVWKSQU-WMLDXEAASA-N 1 1 277.383 3.801 20 30 CHEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000030002573 1128072944 /nfs/dbraw/zinc/07/29/44/1128072944.db2.gz KLQXSSWINVZCFA-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000030002573 1128072948 /nfs/dbraw/zinc/07/29/48/1128072948.db2.gz KLQXSSWINVZCFA-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO C=CCOCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000470763903 1128075629 /nfs/dbraw/zinc/07/56/29/1128075629.db2.gz DQADEDRXGDHAOI-MAUKXSAKSA-N 1 1 289.419 3.671 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470944731 1128082647 /nfs/dbraw/zinc/08/26/47/1128082647.db2.gz JSUFXJDTHSMYPR-GYSYKLTISA-N 1 1 282.309 3.892 20 30 CHEDMO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000471022403 1128085217 /nfs/dbraw/zinc/08/52/17/1128085217.db2.gz MZFSNLTUDDWHRN-KXBFYZLASA-N 1 1 292.382 3.630 20 30 CHEDMO C#CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000925161138 1128124136 /nfs/dbraw/zinc/12/41/36/1128124136.db2.gz ILAKGWIQEHUJBU-IHWFROFDSA-N 1 1 296.458 3.575 20 30 CHEDMO C[C@H](CC(C)(C)C#N)NC1CC[NH+](C2CCCCC2)CC1 ZINC000925209036 1128125797 /nfs/dbraw/zinc/12/57/97/1128125797.db2.gz WASIMXUAIKACFB-OAHLLOKOSA-N 1 1 291.483 3.701 20 30 CHEDMO CC(C)CC[N@@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000094848786 1128130227 /nfs/dbraw/zinc/13/02/27/1128130227.db2.gz NZJPZLAJJYDZMY-UHFFFAOYSA-N 1 1 271.408 3.744 20 30 CHEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245780431 1129224801 /nfs/dbraw/zinc/22/48/01/1129224801.db2.gz UGOSLNDEJBJBSJ-CRAIPNDOSA-N 1 1 286.419 3.990 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cn2c(n1)CCCC2)c1ccccc1 ZINC000925635231 1128135233 /nfs/dbraw/zinc/13/52/33/1128135233.db2.gz PKDVBSHENINITM-DOTOQJQBSA-N 1 1 293.414 3.635 20 30 CHEDMO C=CCC[C@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925581008 1128133084 /nfs/dbraw/zinc/13/30/84/1128133084.db2.gz UYFWTGABFWLYFI-YOEHRIQHSA-N 1 1 298.434 3.965 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000542465875 1128139994 /nfs/dbraw/zinc/13/99/94/1128139994.db2.gz APGUMGZPJLCQJX-UHFFFAOYSA-N 1 1 254.377 3.941 20 30 CHEDMO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000494144832 1128157238 /nfs/dbraw/zinc/15/72/38/1128157238.db2.gz JXMIKQPGYYUGHA-CYBMUJFWSA-N 1 1 279.836 3.519 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000494144832 1128157241 /nfs/dbraw/zinc/15/72/41/1128157241.db2.gz JXMIKQPGYYUGHA-CYBMUJFWSA-N 1 1 279.836 3.519 20 30 CHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000926318070 1128166752 /nfs/dbraw/zinc/16/67/52/1128166752.db2.gz STZLZBXJGHGMLH-CVEARBPZSA-N 1 1 293.370 3.509 20 30 CHEDMO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ncco1 ZINC000926479439 1128174334 /nfs/dbraw/zinc/17/43/34/1128174334.db2.gz JYOANCIYCPKLOK-HIFRSBDPSA-N 1 1 269.348 3.760 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)c1cccc(C#N)c1O ZINC000926569183 1128181514 /nfs/dbraw/zinc/18/15/14/1128181514.db2.gz PEPNRCYBTGZPEE-QGZVFWFLSA-N 1 1 295.386 3.517 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1coc2ccccc12 ZINC000926627760 1128184724 /nfs/dbraw/zinc/18/47/24/1128184724.db2.gz QLVSEZJWWURREU-GFCCVEGCSA-N 1 1 254.333 3.777 20 30 CHEDMO C=CC[N@@H+](C)CCCOc1ccc2ccccc2c1 ZINC000494697805 1128187058 /nfs/dbraw/zinc/18/70/58/1128187058.db2.gz FZYGFUZVBXJFAE-UHFFFAOYSA-N 1 1 255.361 3.727 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccnn1C1CCC1 ZINC000926711045 1128189786 /nfs/dbraw/zinc/18/97/86/1128189786.db2.gz CUJBNLKNPDWJKX-AWEZNQCLSA-N 1 1 286.423 3.733 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(C)cc(C#N)cc2C)on1 ZINC000929289788 1128268319 /nfs/dbraw/zinc/26/83/19/1128268319.db2.gz ZBKZHQWQXUVHMJ-KRWDZBQOSA-N 1 1 295.386 3.809 20 30 CHEDMO CCc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)ccc1C#N ZINC001238767977 1131242469 /nfs/dbraw/zinc/24/24/69/1131242469.db2.gz DSGHVJQXHZQAGH-UHFFFAOYSA-N 1 1 294.373 3.818 20 30 CHEDMO CCc1cc(C[N@H+]2CCc3cc(F)ccc3C2)ccc1C#N ZINC001238767977 1131242474 /nfs/dbraw/zinc/24/24/74/1131242474.db2.gz DSGHVJQXHZQAGH-UHFFFAOYSA-N 1 1 294.373 3.818 20 30 CHEDMO COc1ccc(C[N@@H+](CC2CCC(C#N)CC2)C2CC2)cc1 ZINC000929136777 1128259916 /nfs/dbraw/zinc/25/99/16/1128259916.db2.gz YNMJXWUFQNYRHD-UHFFFAOYSA-N 1 1 298.430 3.990 20 30 CHEDMO COCC[N@H+](Cc1cccs1)CC1CCC(C#N)CC1 ZINC000929144811 1128261077 /nfs/dbraw/zinc/26/10/77/1128261077.db2.gz QNPVGGPSNPFNNG-UHFFFAOYSA-N 1 1 292.448 3.526 20 30 CHEDMO CCC[N@@H+](CCCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000929268651 1128266550 /nfs/dbraw/zinc/26/65/50/1128266550.db2.gz GWTARUGECWGZFT-UHFFFAOYSA-N 1 1 293.414 3.798 20 30 CHEDMO CCc1ccc(C[N@@H+](Cc2cncc(C#N)c2)C2CC2)cc1 ZINC000929258392 1128266578 /nfs/dbraw/zinc/26/65/78/1128266578.db2.gz YEHOQPDQNRDKOB-UHFFFAOYSA-N 1 1 291.398 3.680 20 30 CHEDMO Cc1ncc(C[N@@H+](C)CCCCC2(C#N)CCC2)s1 ZINC000929286831 1128267882 /nfs/dbraw/zinc/26/78/82/1128267882.db2.gz VSRJPAGEFJUJME-UHFFFAOYSA-N 1 1 277.437 3.748 20 30 CHEDMO CC[N@@H+](C/C=C(\C)COC)[C@@H](C)c1ccc(C#N)cc1 ZINC000929330124 1128269907 /nfs/dbraw/zinc/26/99/07/1128269907.db2.gz CJWVGWSZRDSXMM-IPJDOKCGSA-N 1 1 272.392 3.534 20 30 CHEDMO CC[N@@H+](C/C=C(\C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000929330126 1128270495 /nfs/dbraw/zinc/27/04/95/1128270495.db2.gz CJWVGWSZRDSXMM-YVGNARHYSA-N 1 1 272.392 3.534 20 30 CHEDMO CC(C)[N@@H+](CCCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000929379659 1128271935 /nfs/dbraw/zinc/27/19/35/1128271935.db2.gz OOBBUHIZUAESPB-UHFFFAOYSA-N 1 1 293.414 3.796 20 30 CHEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000929415421 1128273814 /nfs/dbraw/zinc/27/38/14/1128273814.db2.gz QGTHBOUBLAZORW-HTWSVDAQSA-N 1 1 268.404 3.806 20 30 CHEDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)cc(C#N)c1 ZINC000929466348 1128274300 /nfs/dbraw/zinc/27/43/00/1128274300.db2.gz NKQIOSIMQGVLOC-UHFFFAOYSA-N 1 1 290.716 3.986 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000929618397 1128279638 /nfs/dbraw/zinc/27/96/38/1128279638.db2.gz HUQRYGIYVBEAMG-CQSZACIVSA-N 1 1 286.762 3.794 20 30 CHEDMO COC1CCC([N@@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929653574 1128280371 /nfs/dbraw/zinc/28/03/71/1128280371.db2.gz DUKQNRLAHCBGOM-UHFFFAOYSA-N 1 1 286.419 3.565 20 30 CHEDMO N#CC[N@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC000929684336 1128282587 /nfs/dbraw/zinc/28/25/87/1128282587.db2.gz DHFOCBBLUPVVQV-UHFFFAOYSA-N 1 1 259.397 3.619 20 30 CHEDMO N#CC[N@@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC000929684336 1128282588 /nfs/dbraw/zinc/28/25/88/1128282588.db2.gz DHFOCBBLUPVVQV-UHFFFAOYSA-N 1 1 259.397 3.619 20 30 CHEDMO Cc1ccccc1[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000929707907 1128283405 /nfs/dbraw/zinc/28/34/05/1128283405.db2.gz NGVOBVXUAULYCE-FAFZWHIHSA-N 1 1 298.430 3.698 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H]2C2CCC2)ccc1C#N ZINC000487911420 1128283791 /nfs/dbraw/zinc/28/37/91/1128283791.db2.gz MAXBDIJTBBFZBQ-KRWDZBQOSA-N 1 1 254.377 3.631 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)ccc1C#N ZINC000487912745 1128284110 /nfs/dbraw/zinc/28/41/10/1128284110.db2.gz GZMJFBKMKFAGAH-INIZCTEOSA-N 1 1 297.427 3.703 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C1 ZINC000929750553 1128285180 /nfs/dbraw/zinc/28/51/80/1128285180.db2.gz PCRPQWJPPOVQLJ-QDIHITRGSA-N 1 1 280.481 3.922 20 30 CHEDMO N#CC1CCC(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000929789696 1128286890 /nfs/dbraw/zinc/28/68/90/1128286890.db2.gz YUBOALZFTIVJCS-MQBCKMQZSA-N 1 1 272.367 3.902 20 30 CHEDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929782508 1128286956 /nfs/dbraw/zinc/28/69/56/1128286956.db2.gz ZNQPPIJZBWMKRE-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@H+](C)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929782508 1128286965 /nfs/dbraw/zinc/28/69/65/1128286965.db2.gz ZNQPPIJZBWMKRE-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929782508 1128286967 /nfs/dbraw/zinc/28/69/67/1128286967.db2.gz ZNQPPIJZBWMKRE-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO N#CC1(CCCC[N@H+]2CC[C@@H](C3CCOCC3)C2)CCC1 ZINC000930098229 1128300282 /nfs/dbraw/zinc/30/02/82/1128300282.db2.gz VHEHNBJAAUYRGS-QGZVFWFLSA-N 1 1 290.451 3.599 20 30 CHEDMO N#CC1(CCCC[N@@H+](Cc2ccncc2)C2CC2)CCC1 ZINC000930111955 1128301522 /nfs/dbraw/zinc/30/15/22/1128301522.db2.gz JIHWPEWUYDJZQE-UHFFFAOYSA-N 1 1 283.419 3.910 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000930112079 1128301572 /nfs/dbraw/zinc/30/15/72/1128301572.db2.gz NFAHHRNZQHJIHY-UHFFFAOYSA-N 1 1 291.398 3.735 20 30 CHEDMO CC[C@@H](CSC)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930180567 1128304363 /nfs/dbraw/zinc/30/43/63/1128304363.db2.gz XAGLELHMJYWGFL-AWEZNQCLSA-N 1 1 268.470 3.924 20 30 CHEDMO C=CCCCCCCCCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186858 1128312808 /nfs/dbraw/zinc/31/28/08/1128312808.db2.gz OBPQXLRCMYMLCS-MSOLQXFVSA-N 1 1 278.484 3.835 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000930448961 1128319799 /nfs/dbraw/zinc/31/97/99/1128319799.db2.gz YUPXDRCQTMVXEG-SFHVURJKSA-N 1 1 294.402 3.625 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000930448961 1128319803 /nfs/dbraw/zinc/31/98/03/1128319803.db2.gz YUPXDRCQTMVXEG-SFHVURJKSA-N 1 1 294.402 3.625 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCSc1ccncc1 ZINC000930763297 1128334043 /nfs/dbraw/zinc/33/40/43/1128334043.db2.gz FMESSFABGSFXEA-AWEZNQCLSA-N 1 1 297.427 3.738 20 30 CHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccsc1 ZINC000035719215 1128330624 /nfs/dbraw/zinc/33/06/24/1128330624.db2.gz ZFHGBSVCQVOTAA-UHFFFAOYSA-N 1 1 286.400 3.521 20 30 CHEDMO N#CC1(CCCC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CCC1 ZINC000930716574 1128331602 /nfs/dbraw/zinc/33/16/02/1128331602.db2.gz YUAZAXDKDJHMGM-ZWKOTPCHSA-N 1 1 298.430 3.658 20 30 CHEDMO CC[N@@H+](CCCCC1(C#N)CCC1)CCSC ZINC000930825562 1128336885 /nfs/dbraw/zinc/33/68/85/1128336885.db2.gz MBXUBGGBLORDII-UHFFFAOYSA-N 1 1 254.443 3.535 20 30 CHEDMO N#CC1(CCCC[N@@H+]2CCC[C@]3(CC3(F)F)C2)CCC1 ZINC000930864699 1128338949 /nfs/dbraw/zinc/33/89/49/1128338949.db2.gz VXXFBYUASDIRBV-HNNXBMFYSA-N 1 1 282.378 3.972 20 30 CHEDMO CCSc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000930925366 1128340078 /nfs/dbraw/zinc/34/00/78/1128340078.db2.gz YMEBKGIKHRDRKE-CQSZACIVSA-N 1 1 274.433 3.924 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000931026103 1128344126 /nfs/dbraw/zinc/34/41/26/1128344126.db2.gz PZBKFWXVOLYXTM-ZGUYJTEBSA-N 1 1 290.451 3.597 20 30 CHEDMO CCSc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000931064000 1128345655 /nfs/dbraw/zinc/34/56/55/1128345655.db2.gz YLKGYXPFVBRFRK-HNNXBMFYSA-N 1 1 260.406 3.534 20 30 CHEDMO CCSc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000931064000 1128345659 /nfs/dbraw/zinc/34/56/59/1128345659.db2.gz YLKGYXPFVBRFRK-HNNXBMFYSA-N 1 1 260.406 3.534 20 30 CHEDMO CCCCCCCC[N@@H+](C)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235663868 1128346342 /nfs/dbraw/zinc/34/63/42/1128346342.db2.gz MNHJJKQZRIWHCC-GJZGRUSLSA-N 1 1 290.442 3.770 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)nc1 ZINC000562629657 1128413646 /nfs/dbraw/zinc/41/36/46/1128413646.db2.gz KREDMDHRYQEAPN-MRXNPFEDSA-N 1 1 281.359 3.664 20 30 CHEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)cc1 ZINC000916246988 1128413681 /nfs/dbraw/zinc/41/36/81/1128413681.db2.gz SHDKHIBCWANLEN-UHFFFAOYSA-N 1 1 273.767 3.852 20 30 CHEDMO C#CC1(O)CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000931145411 1128349507 /nfs/dbraw/zinc/34/95/07/1128349507.db2.gz QZQZJNUOGJVLKS-NSHDSACASA-N 1 1 298.213 3.515 20 30 CHEDMO C=CCOCCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000470780301 1128379277 /nfs/dbraw/zinc/37/92/77/1128379277.db2.gz RIMULMLARIWTIZ-QGZVFWFLSA-N 1 1 259.393 3.806 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000931746692 1128380447 /nfs/dbraw/zinc/38/04/47/1128380447.db2.gz KOVUIJDXUXDZBY-KBXCAEBGSA-N 1 1 277.371 3.536 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000763304935 1128390792 /nfs/dbraw/zinc/39/07/92/1128390792.db2.gz PVQRZAIIOHJWKQ-KBPBESRZSA-N 1 1 267.413 3.585 20 30 CHEDMO CC(C)[N@@H+](CCC#N)CCc1cccc(Cl)c1 ZINC000562679519 1128417379 /nfs/dbraw/zinc/41/73/79/1128417379.db2.gz UQGGTELHJDRQRI-UHFFFAOYSA-N 1 1 250.773 3.507 20 30 CHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000562383745 1128399432 /nfs/dbraw/zinc/39/94/32/1128399432.db2.gz YXDKNUUHBGCLPS-ZDUSSCGKSA-N 1 1 291.354 3.892 20 30 CHEDMO N#Cc1ccc(NN=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000915961301 1128400474 /nfs/dbraw/zinc/40/04/74/1128400474.db2.gz FFRCDLKSKBLOCE-UHFFFAOYSA-N 1 1 294.358 3.588 20 30 CHEDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000932274576 1128402243 /nfs/dbraw/zinc/40/22/43/1128402243.db2.gz IVJLGPUOJOOTBB-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000932898279 1128426255 /nfs/dbraw/zinc/42/62/55/1128426255.db2.gz KJJUSQDHTNYQFW-GOSISDBHSA-N 1 1 291.398 3.721 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccsc1 ZINC000778156154 1128430409 /nfs/dbraw/zinc/43/04/09/1128430409.db2.gz ODKYQPGTMBVFEK-UHFFFAOYSA-N 1 1 291.803 3.703 20 30 CHEDMO C#CCCCCC[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933125228 1128430465 /nfs/dbraw/zinc/43/04/65/1128430465.db2.gz JPNXJDHNRJRSPV-OAHLLOKOSA-N 1 1 276.449 3.510 20 30 CHEDMO CC[C@H](CC(F)F)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771496 1128442335 /nfs/dbraw/zinc/44/23/35/1128442335.db2.gz SEEIAQSNESLEOQ-SNVBAGLBSA-N 1 1 272.364 3.733 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000778202446 1128445270 /nfs/dbraw/zinc/44/52/70/1128445270.db2.gz HUBZAHNABDZRIB-GOSISDBHSA-N 1 1 286.419 3.553 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCCSC[C@H]2C2CC2)CC1 ZINC000933913985 1128446857 /nfs/dbraw/zinc/44/68/57/1128446857.db2.gz XGAIPIHBEVYZOY-XUJLQICISA-N 1 1 278.465 3.534 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1 ZINC000778234293 1128455924 /nfs/dbraw/zinc/45/59/24/1128455924.db2.gz JMNFARPYKALKSU-INIZCTEOSA-N 1 1 270.763 3.589 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934331408 1128458394 /nfs/dbraw/zinc/45/83/94/1128458394.db2.gz AOHKJSUITBLZKO-DZGCQCFKSA-N 1 1 297.427 3.640 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000934464126 1128461237 /nfs/dbraw/zinc/46/12/37/1128461237.db2.gz CCZCODLALWPPFO-KBPBESRZSA-N 1 1 283.375 3.756 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000934464126 1128461239 /nfs/dbraw/zinc/46/12/39/1128461239.db2.gz CCZCODLALWPPFO-KBPBESRZSA-N 1 1 283.375 3.756 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837511 1128470811 /nfs/dbraw/zinc/47/08/11/1128470811.db2.gz JDJHKFSFRZFBBC-LZQZEXGQSA-N 1 1 298.430 3.758 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836706 1128470983 /nfs/dbraw/zinc/47/09/83/1128470983.db2.gz GHWQHVIHOXCOOO-IRXDYDNUSA-N 1 1 292.467 3.845 20 30 CHEDMO C=CC[N@H+](Cc1csc(C(C)(C)C)n1)C(C)C ZINC000917069812 1128474643 /nfs/dbraw/zinc/47/46/43/1128474643.db2.gz WILLDQBOXDBCBI-UHFFFAOYSA-N 1 1 252.427 3.837 20 30 CHEDMO C=CC[N@@H+](Cc1csc(C(C)(C)C)n1)C(C)C ZINC000917069812 1128474644 /nfs/dbraw/zinc/47/46/44/1128474644.db2.gz WILLDQBOXDBCBI-UHFFFAOYSA-N 1 1 252.427 3.837 20 30 CHEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935833026 1128504375 /nfs/dbraw/zinc/50/43/75/1128504375.db2.gz QBIFECOSZXQRTC-KRWDZBQOSA-N 1 1 286.419 3.617 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)cc2C)CC1 ZINC000129490132 1128541574 /nfs/dbraw/zinc/54/15/74/1128541574.db2.gz 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/nfs/dbraw/zinc/57/78/95/1128577895.db2.gz KCLNELFSGJTWTQ-JARZOMNASA-N 1 1 289.382 3.631 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000568103763 1128578218 /nfs/dbraw/zinc/57/82/18/1128578218.db2.gz KCLNELFSGJTWTQ-ZMOVQZPESA-N 1 1 289.382 3.631 20 30 CHEDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC[C@@H](C#N)C1 ZINC000568419694 1128584102 /nfs/dbraw/zinc/58/41/02/1128584102.db2.gz JTHHPERLVFESHH-KDOFPFPSSA-N 1 1 264.372 3.964 20 30 CHEDMO C=CCC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000556533613 1128599582 /nfs/dbraw/zinc/59/95/82/1128599582.db2.gz FVMLBPODENOSCL-UHFFFAOYSA-N 1 1 278.827 3.737 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000131213394 1128610642 /nfs/dbraw/zinc/61/06/42/1128610642.db2.gz HJQSPPMHOPDJSJ-OAHLLOKOSA-N 1 1 260.356 3.902 20 30 CHEDMO C=CC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000194974309 1128616638 /nfs/dbraw/zinc/61/66/38/1128616638.db2.gz QFGSDEBAIZFWKR-SNVBAGLBSA-N 1 1 254.171 3.628 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000194974309 1128616641 /nfs/dbraw/zinc/61/66/41/1128616641.db2.gz QFGSDEBAIZFWKR-SNVBAGLBSA-N 1 1 254.171 3.628 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000570525089 1128626138 /nfs/dbraw/zinc/62/61/38/1128626138.db2.gz HDJYAOPBXCBNQL-RBUKOAKNSA-N 1 1 291.398 3.721 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000156107132 1128626160 /nfs/dbraw/zinc/62/61/60/1128626160.db2.gz MHSYSXUYUSLNIF-MRXNPFEDSA-N 1 1 298.411 3.965 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053667 1128635692 /nfs/dbraw/zinc/63/56/92/1128635692.db2.gz GOSHZZSYDRWISG-UHFFFAOYSA-N 1 1 283.375 3.667 20 30 CHEDMO N#C[C@@H]1CC=C([NH2+]c2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC001212859220 1128636602 /nfs/dbraw/zinc/63/66/02/1128636602.db2.gz DAUAZLSPQVFIQF-LLVKDONJSA-N 1 1 265.316 3.560 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000570913956 1128634475 /nfs/dbraw/zinc/63/44/75/1128634475.db2.gz IABXDKRGYZILAO-UHFFFAOYSA-N 1 1 283.419 3.720 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000570913956 1128634477 /nfs/dbraw/zinc/63/44/77/1128634477.db2.gz IABXDKRGYZILAO-UHFFFAOYSA-N 1 1 283.419 3.720 20 30 CHEDMO C[N@H+](Cc1cccc(OC2CCCC2)c1)CC(C)(C)C#N ZINC000556909437 1128641013 /nfs/dbraw/zinc/64/10/13/1128641013.db2.gz FPQRBMBIFRSQPE-UHFFFAOYSA-N 1 1 286.419 3.990 20 30 CHEDMO C[N@@H+](Cc1cccc(OC2CCCC2)c1)CC(C)(C)C#N ZINC000556909437 1128641015 /nfs/dbraw/zinc/64/10/15/1128641015.db2.gz FPQRBMBIFRSQPE-UHFFFAOYSA-N 1 1 286.419 3.990 20 30 CHEDMO CC(C)COc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000556909664 1128641032 /nfs/dbraw/zinc/64/10/32/1128641032.db2.gz KFKRXVQSGUGBNW-UHFFFAOYSA-N 1 1 274.408 3.703 20 30 CHEDMO CC(C)COc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000556909664 1128641033 /nfs/dbraw/zinc/64/10/33/1128641033.db2.gz KFKRXVQSGUGBNW-UHFFFAOYSA-N 1 1 274.408 3.703 20 30 CHEDMO N#CCC[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000572834444 1128648351 /nfs/dbraw/zinc/64/83/51/1128648351.db2.gz KFEGUWUWQVLNOV-UHFFFAOYSA-N 1 1 293.581 3.529 20 30 CHEDMO C=CCCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000573196216 1128652395 /nfs/dbraw/zinc/65/23/95/1128652395.db2.gz HYEXSYSGWXEKNM-KRWDZBQOSA-N 1 1 297.402 3.834 20 30 CHEDMO C=CCCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000573196216 1128652397 /nfs/dbraw/zinc/65/23/97/1128652397.db2.gz HYEXSYSGWXEKNM-KRWDZBQOSA-N 1 1 297.402 3.834 20 30 CHEDMO CCCCCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000158354680 1128666514 /nfs/dbraw/zinc/66/65/14/1128666514.db2.gz SENJTWYNXNGAMS-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000158354680 1128666515 /nfs/dbraw/zinc/66/65/15/1128666515.db2.gz SENJTWYNXNGAMS-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Cl)nc(Cl)c1)C(C)C ZINC000920086906 1128664182 /nfs/dbraw/zinc/66/41/82/1128664182.db2.gz REWLOVGUHQOXGD-UHFFFAOYSA-N 1 1 259.180 3.785 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CC1(Cl)Cl ZINC000778995518 1128674659 /nfs/dbraw/zinc/67/46/59/1128674659.db2.gz AZXPCTNGZSTSBZ-LLVKDONJSA-N 1 1 274.191 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PRXFOFLSYMKWRF-UHFFFAOYSA-N 1 1 297.789 3.639 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000578903412 1128732868 /nfs/dbraw/zinc/73/28/68/1128732868.db2.gz GICPOHJISRVZAJ-SFHVURJKSA-N 1 1 279.387 3.782 20 30 CHEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(C#N)cc1 ZINC000072560870 1117764955 /nfs/dbraw/zinc/76/49/55/1117764955.db2.gz OCJJQTDLWYMKKH-CYBMUJFWSA-N 1 1 295.342 3.659 20 30 CHEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000072560870 1117764959 /nfs/dbraw/zinc/76/49/59/1117764959.db2.gz OCJJQTDLWYMKKH-CYBMUJFWSA-N 1 1 295.342 3.659 20 30 CHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000610001884 1128734441 /nfs/dbraw/zinc/73/44/41/1128734441.db2.gz KDYKQDKKEUMDDF-RHSMWYFYSA-N 1 1 256.393 3.959 20 30 CHEDMO C=C(C)CN(CC)c1[nH+]cnc2c1ccn2C1CCCC1 ZINC001167051158 1117787611 /nfs/dbraw/zinc/78/76/11/1117787611.db2.gz VNDLYLWNVSDCAA-UHFFFAOYSA-N 1 1 284.407 3.949 20 30 CHEDMO C=C(C)CN(CC)c1[nH+]ccc2ccc(OC)cc21 ZINC001167050997 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1 286.202 3.677 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001198489878 1122994550 /nfs/dbraw/zinc/99/45/50/1122994550.db2.gz DYWVLOUWVZGBEC-INIZCTEOSA-N 1 1 287.403 3.792 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685836 1123006849 /nfs/dbraw/zinc/00/68/49/1123006849.db2.gz OYDSOVCKHJVLBH-HOTGVXAUSA-N 1 1 278.440 3.740 20 30 CHEDMO N#CC1(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000334477421 1123040462 /nfs/dbraw/zinc/04/04/62/1123040462.db2.gz QEMUECSCPGNJOD-UHFFFAOYSA-N 1 1 295.361 3.700 20 30 CHEDMO N#CC1(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000334477421 1123040464 /nfs/dbraw/zinc/04/04/64/1123040464.db2.gz QEMUECSCPGNJOD-UHFFFAOYSA-N 1 1 295.361 3.700 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000441063230 1123054397 /nfs/dbraw/zinc/05/43/97/1123054397.db2.gz GORHLJZCSQXXGL-UHFFFAOYSA-N 1 1 286.419 3.773 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1Cc2ccccc2C1 ZINC000441139192 1123060847 /nfs/dbraw/zinc/06/08/47/1123060847.db2.gz HJLASEBTATURBL-UHFFFAOYSA-N 1 1 295.813 3.791 20 30 CHEDMO N#CCC[N@H+](Cc1ccccc1)CC1CCCCC1 ZINC001201383047 1123095509 /nfs/dbraw/zinc/09/55/09/1123095509.db2.gz ZWPMUYCRESOBJW-UHFFFAOYSA-N 1 1 256.393 3.983 20 30 CHEDMO COC1CCC(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000895019115 1123101978 /nfs/dbraw/zinc/10/19/78/1123101978.db2.gz ZLGYCZJXRVAUFX-SYJJWHGVSA-N 1 1 286.419 3.756 20 30 CHEDMO Cc1cc(F)ncc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000895018424 1123102086 /nfs/dbraw/zinc/10/20/86/1123102086.db2.gz PENXIPDHYSDCJF-CYBMUJFWSA-N 1 1 283.350 3.594 20 30 CHEDMO Cc1cc(F)ncc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000895018425 1123102383 /nfs/dbraw/zinc/10/23/83/1123102383.db2.gz PENXIPDHYSDCJF-ZDUSSCGKSA-N 1 1 283.350 3.594 20 30 CHEDMO CC(C)=CCC[C@H](C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201485492 1123106963 /nfs/dbraw/zinc/10/69/63/1123106963.db2.gz HXPSUDMJGSMFLS-DZGCQCFKSA-N 1 1 279.449 3.643 20 30 CHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC23CCCCC3)c1 ZINC000328803084 1123111753 /nfs/dbraw/zinc/11/17/53/1123111753.db2.gz BDTWNABIPYVJAP-UHFFFAOYSA-N 1 1 297.402 3.945 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001201631747 1123130114 /nfs/dbraw/zinc/13/01/14/1123130114.db2.gz ZYCADRZJGWTHNW-SFHVURJKSA-N 1 1 294.483 3.729 20 30 CHEDMO CCCCC[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201737627 1123143691 /nfs/dbraw/zinc/14/36/91/1123143691.db2.gz YSSNDGYJWNUZSC-INIZCTEOSA-N 1 1 272.392 3.592 20 30 CHEDMO CCCCCCC[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001201798018 1123150695 /nfs/dbraw/zinc/15/06/95/1123150695.db2.gz LJMDQOYAVUFQGP-UHFFFAOYSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCCN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201787227 1123151557 /nfs/dbraw/zinc/15/15/57/1123151557.db2.gz AWRTYKWXXDDAKV-UHFFFAOYSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201787227 1123151559 /nfs/dbraw/zinc/15/15/59/1123151559.db2.gz AWRTYKWXXDDAKV-UHFFFAOYSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001201852726 1123152182 /nfs/dbraw/zinc/15/21/82/1123152182.db2.gz IGQWXOYFCWHXIZ-DLBZAZTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001201852630 1123152217 /nfs/dbraw/zinc/15/22/17/1123152217.db2.gz FNHISOQJLQNFBE-HZPDHXFCSA-N 1 1 253.430 3.990 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@]12CCOC2 ZINC001201852628 1123152267 /nfs/dbraw/zinc/15/22/67/1123152267.db2.gz FMLQMXMSRRHCKD-INIZCTEOSA-N 1 1 253.430 3.992 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@](F)(CO)C1 ZINC001201852722 1123152402 /nfs/dbraw/zinc/15/24/02/1123152402.db2.gz IEESMVYIHKNXOG-HNNXBMFYSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001201825839 1123153013 /nfs/dbraw/zinc/15/30/13/1123153013.db2.gz FUYUBRBKZIFSRY-KRWDZBQOSA-N 1 1 276.424 3.895 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2onc(COCC)c2C1 ZINC001201825877 1123153229 /nfs/dbraw/zinc/15/32/29/1123153229.db2.gz GVLQCCHVSKCILX-UHFFFAOYSA-N 1 1 294.439 3.930 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001201838688 1123154195 /nfs/dbraw/zinc/15/41/95/1123154195.db2.gz DAVBVVFFAVEICO-INIZCTEOSA-N 1 1 253.430 3.992 20 30 CHEDMO CCCCCCCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001201840166 1123155333 /nfs/dbraw/zinc/15/53/33/1123155333.db2.gz NSXWZXAYAONAHC-QGZVFWFLSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001201840166 1123155334 /nfs/dbraw/zinc/15/53/34/1123155334.db2.gz NSXWZXAYAONAHC-QGZVFWFLSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001201840292 1123155382 /nfs/dbraw/zinc/15/53/82/1123155382.db2.gz SKRLBXAOZVEWLJ-QGZVFWFLSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001201840292 1123155385 /nfs/dbraw/zinc/15/53/85/1123155385.db2.gz SKRLBXAOZVEWLJ-QGZVFWFLSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCCCN1CC([NH+]2CCC(F)CC2)C1 ZINC001201846804 1123155980 /nfs/dbraw/zinc/15/59/80/1123155980.db2.gz LRUVOQUTCFWFGX-UHFFFAOYSA-N 1 1 284.463 3.855 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001201846800 1123156222 /nfs/dbraw/zinc/15/62/22/1123156222.db2.gz LQCOQMMITIQGOV-SFHVURJKSA-N 1 1 294.483 3.872 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCn2nccc2C1 ZINC001201875255 1123156695 /nfs/dbraw/zinc/15/66/95/1123156695.db2.gz SKSLCLLSPCXBDK-UHFFFAOYSA-N 1 1 263.429 3.839 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000425535405 1123164476 /nfs/dbraw/zinc/16/44/76/1123164476.db2.gz NKDASJOXYVWPSW-AWEZNQCLSA-N 1 1 269.392 3.881 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001252125344 1123225543 /nfs/dbraw/zinc/22/55/43/1123225543.db2.gz XTVUURMVIHCGPT-ROUUACIJSA-N 1 1 297.483 3.743 20 30 CHEDMO C=CCCSCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000850502719 1123276094 /nfs/dbraw/zinc/27/60/94/1123276094.db2.gz VPDCCWIEDBQGSW-AWEZNQCLSA-N 1 1 283.412 3.881 20 30 CHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000850511930 1123279074 /nfs/dbraw/zinc/27/90/74/1123279074.db2.gz QSPWPFUXNNSBQJ-STQMWFEESA-N 1 1 286.400 3.567 20 30 CHEDMO CC#CCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000156614832 1129114639 /nfs/dbraw/zinc/11/46/39/1129114639.db2.gz PARJGXYBYVYCDE-UHFFFAOYSA-N 1 1 296.389 3.679 20 30 CHEDMO CCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc1 ZINC000338932936 1123333886 /nfs/dbraw/zinc/33/38/86/1123333886.db2.gz FEEYUBZAXCKAEH-UHFFFAOYSA-N 1 1 291.398 3.680 20 30 CHEDMO COc1cc(C[N@@H+](C)C[C@@H](C)c2ccccc2)ccc1C#N ZINC000442882116 1123346550 /nfs/dbraw/zinc/34/65/50/1123346550.db2.gz CINFVZXNNLXLMG-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CC1(Cl)Cl ZINC000852687638 1123412616 /nfs/dbraw/zinc/41/26/16/1123412616.db2.gz LZVKRURDQZTPKK-UTUOFQBUSA-N 1 1 260.208 3.753 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000852103334 1123397351 /nfs/dbraw/zinc/39/73/51/1123397351.db2.gz DVENQVIIXGZLNX-MRXNPFEDSA-N 1 1 288.778 3.887 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000852097581 1123397556 /nfs/dbraw/zinc/39/75/56/1123397556.db2.gz RKDJARHSHAFFQB-AWEZNQCLSA-N 1 1 276.430 3.763 20 30 CHEDMO CC(C)([NH2+]C/C(Cl)=C/Cl)c1cccc(C#N)c1 ZINC000852353638 1123403666 /nfs/dbraw/zinc/40/36/66/1123403666.db2.gz CNHZNWAMEZCJNK-GHXNOFRVSA-N 1 1 269.175 3.702 20 30 CHEDMO CC(C)C[C@H](C)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333823 1123403708 /nfs/dbraw/zinc/40/37/08/1123403708.db2.gz WCEPFRDLWYZQHF-WMZOPIPTSA-N 1 1 285.435 3.621 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](C2CC(OC(C)(C)C)C2)C1 ZINC000852408786 1123404418 /nfs/dbraw/zinc/40/44/18/1123404418.db2.gz ATWZJXFIIPZSIB-NFOMZHRRSA-N 1 1 251.414 3.621 20 30 CHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000852592811 1123409852 /nfs/dbraw/zinc/40/98/52/1123409852.db2.gz WEMGJTFGOTVDHQ-HUUCEWRRSA-N 1 1 272.392 3.599 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CCO[C@H](C)C#N)C(C)C ZINC000852690589 1123412775 /nfs/dbraw/zinc/41/27/75/1123412775.db2.gz KJTLNNXQQPIOIE-NVXWUHKLSA-N 1 1 274.408 3.777 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000852688427 1123412933 /nfs/dbraw/zinc/41/29/33/1123412933.db2.gz UAYNSELRVXYZNA-DVOMOZLQSA-N 1 1 295.785 3.696 20 30 CHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)CCCO2 ZINC000852781410 1123415155 /nfs/dbraw/zinc/41/51/55/1123415155.db2.gz PQRQRRYFDARKLC-AWEZNQCLSA-N 1 1 292.382 3.734 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000853526123 1123443108 /nfs/dbraw/zinc/44/31/08/1123443108.db2.gz NEPKLGCSFPWXMG-GFCCVEGCSA-N 1 1 287.388 3.547 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000853526123 1123443111 /nfs/dbraw/zinc/44/31/11/1123443111.db2.gz NEPKLGCSFPWXMG-GFCCVEGCSA-N 1 1 287.388 3.547 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2ccccc2)cn1 ZINC000853597754 1123443922 /nfs/dbraw/zinc/44/39/22/1123443922.db2.gz FCJREWGVBAWRAS-HDICACEKSA-N 1 1 279.387 3.691 20 30 CHEDMO Cc1nn(C(C)C)c(C)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000895405331 1123477112 /nfs/dbraw/zinc/47/71/12/1123477112.db2.gz YVSNNJFWUOMXLL-UHFFFAOYSA-N 1 1 288.439 3.645 20 30 CHEDMO C[C@H](c1ccccc1)[NH+]1CCN(CC(C)(C)CCC#N)CC1 ZINC000895550196 1123492162 /nfs/dbraw/zinc/49/21/62/1123492162.db2.gz BKMSSUSQRDTYBE-QGZVFWFLSA-N 1 1 299.462 3.695 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C)C1CCCCC1 ZINC000776788721 1123506076 /nfs/dbraw/zinc/50/60/76/1123506076.db2.gz SVZIURRPGHMTDS-UHFFFAOYSA-N 1 1 266.388 3.635 20 30 CHEDMO C=CC[NH+]1CCC(NCc2c(Cl)cccc2CC)CC1 ZINC000474356102 1123511451 /nfs/dbraw/zinc/51/14/51/1123511451.db2.gz RYYZYMSAUHRCSS-UHFFFAOYSA-N 1 1 292.854 3.642 20 30 CHEDMO Cc1cc(F)ccc1-c1ccc(C=NNc2cc[nH+]cc2)o1 ZINC000779808646 1129127945 /nfs/dbraw/zinc/12/79/45/1129127945.db2.gz NSHAAGVLNRJEJG-UHFFFAOYSA-N 1 1 295.317 3.657 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](CCOCCC#N)CC1CCC1 ZINC000339004524 1123599395 /nfs/dbraw/zinc/59/93/95/1123599395.db2.gz FONZGIAOWJWVEJ-MRXNPFEDSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCOCCC#N ZINC000339006361 1123618105 /nfs/dbraw/zinc/61/81/05/1123618105.db2.gz GFMCVAIQTYMBDJ-SFHVURJKSA-N 1 1 288.435 3.568 20 30 CHEDMO C=CC[C@H]([NH2+][C@@H]1CCCc2scnc21)c1ccncc1 ZINC000858365663 1123647751 /nfs/dbraw/zinc/64/77/51/1123647751.db2.gz QAVUQPLUWYWVLZ-UONOGXRCSA-N 1 1 285.416 3.823 20 30 CHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001307479104 1123665729 /nfs/dbraw/zinc/66/57/29/1123665729.db2.gz OJPAQOFYWAEGMX-LSDHHAIUSA-N 1 1 259.368 3.688 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000859444323 1123698658 /nfs/dbraw/zinc/69/86/58/1123698658.db2.gz KDKCVQOIXBNRHL-DOMZBBRYSA-N 1 1 299.336 3.637 20 30 CHEDMO C=CC[C@H](CC)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000281449848 1123709047 /nfs/dbraw/zinc/70/90/47/1123709047.db2.gz SSURUTWGGHEWGX-AWEZNQCLSA-N 1 1 255.365 3.521 20 30 CHEDMO CCCCCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859795576 1123710380 /nfs/dbraw/zinc/71/03/80/1123710380.db2.gz PSKLRRAQKXISIT-UHFFFAOYSA-N 1 1 273.424 3.683 20 30 CHEDMO C=CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000117881470 1123763424 /nfs/dbraw/zinc/76/34/24/1123763424.db2.gz JSNMBLUPQWLENC-UHFFFAOYSA-N 1 1 271.360 3.954 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CCc2cccs2)C2CC2)cc1 ZINC000195314572 1129144019 /nfs/dbraw/zinc/14/40/19/1129144019.db2.gz DSCVKDFVUOCCQM-UHFFFAOYSA-N 1 1 282.412 3.827 20 30 CHEDMO C=C1CC(C)(c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)C1 ZINC000896915746 1123777629 /nfs/dbraw/zinc/77/76/29/1123777629.db2.gz PKVYNUPMMQKSRJ-FRRDWIJNSA-N 1 1 275.396 3.611 20 30 CHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1 ZINC000339030160 1123783324 /nfs/dbraw/zinc/78/33/24/1123783324.db2.gz TVEVDUITUNYXDX-VHDGCEQUSA-N 1 1 283.400 3.514 20 30 CHEDMO Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001141988293 1123796551 /nfs/dbraw/zinc/79/65/51/1123796551.db2.gz PCNKYLPDNGZZGP-OAHLLOKOSA-N 1 1 295.386 3.776 20 30 CHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000186226053 1123814968 /nfs/dbraw/zinc/81/49/68/1123814968.db2.gz ADPYJNYNZYFCAS-GOSISDBHSA-N 1 1 286.419 3.648 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000862539768 1123818610 /nfs/dbraw/zinc/81/86/10/1123818610.db2.gz VCFVZAMUUIWNBK-OAHLLOKOSA-N 1 1 284.403 3.744 20 30 CHEDMO C=C(CC)C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000358069724 1123825549 /nfs/dbraw/zinc/82/55/49/1123825549.db2.gz ZDIZAYWXAGPNPA-UHFFFAOYSA-N 1 1 256.349 3.643 20 30 CHEDMO C=C(CC)C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000358069724 1123825553 /nfs/dbraw/zinc/82/55/53/1123825553.db2.gz ZDIZAYWXAGPNPA-UHFFFAOYSA-N 1 1 256.349 3.643 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000186326925 1123847564 /nfs/dbraw/zinc/84/75/64/1123847564.db2.gz MJZFLLXIWWNEPR-ZDUSSCGKSA-N 1 1 285.416 3.559 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(C)ccc1O ZINC000119941944 1123918965 /nfs/dbraw/zinc/91/89/65/1123918965.db2.gz BASICCFQCFSADB-UHFFFAOYSA-N 1 1 273.401 3.950 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(OC)c1O ZINC000119939513 1123919508 /nfs/dbraw/zinc/91/95/08/1123919508.db2.gz LKHBXWUIEPNWMS-UHFFFAOYSA-N 1 1 289.400 3.651 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)c1C ZINC000794643111 1123922297 /nfs/dbraw/zinc/92/22/97/1123922297.db2.gz WTJSDZGAUQFDTL-UHFFFAOYSA-N 1 1 294.398 3.838 20 30 CHEDMO CN(C)c1ccc(C=[NH+]Nc2cccc3ncccc32)cc1 ZINC000864949681 1123952629 /nfs/dbraw/zinc/95/26/29/1123952629.db2.gz MNAKAFHXIMNZBQ-UHFFFAOYSA-N 1 1 290.370 3.747 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000158994028 1129156964 /nfs/dbraw/zinc/15/69/64/1129156964.db2.gz CSSPAISDWDYROT-UHFFFAOYSA-N 1 1 291.345 3.753 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000227195851 1129157213 /nfs/dbraw/zinc/15/72/13/1129157213.db2.gz XECLOJBKVBPIHE-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]2CCCC[C@H]21 ZINC000543907482 1123983549 /nfs/dbraw/zinc/98/35/49/1123983549.db2.gz QKPUNAQQQMBSRZ-OAUYIBNBSA-N 1 1 272.367 3.708 20 30 CHEDMO C[C@H](CNc1cc(Cl)ccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000609891728 1123997279 /nfs/dbraw/zinc/99/72/79/1123997279.db2.gz HLIVRVNMSGQYGW-QWHCGFSZSA-N 1 1 291.826 3.744 20 30 CHEDMO CC[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000223544574 1124038899 /nfs/dbraw/zinc/03/88/99/1124038899.db2.gz CMKOYXMPDTZHTM-OAHLLOKOSA-N 1 1 260.356 3.852 20 30 CHEDMO CCc1ccccc1CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000444593729 1124044424 /nfs/dbraw/zinc/04/44/24/1124044424.db2.gz RTGPQQIICCPUEI-UHFFFAOYSA-N 1 1 278.399 3.795 20 30 CHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C12CCC2 ZINC000444641226 1124049835 /nfs/dbraw/zinc/04/98/35/1124049835.db2.gz DKDFNDZGHCRMSG-CVEARBPZSA-N 1 1 292.467 3.986 20 30 CHEDMO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc(C#N)c1O ZINC000866320907 1124052147 /nfs/dbraw/zinc/05/21/47/1124052147.db2.gz LRRYNUVMTDBUCP-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000444758581 1124058622 /nfs/dbraw/zinc/05/86/22/1124058622.db2.gz YSUOSOSCEPCWLC-RHSMWYFYSA-N 1 1 256.393 3.987 20 30 CHEDMO CC(C)[N@H+](Cc1cccc(C#N)c1F)CC1CCC1 ZINC000444769990 1124060765 /nfs/dbraw/zinc/06/07/65/1124060765.db2.gz BNDNNANYDIJXIJ-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2nccs2)CCCC1(C)C ZINC000444791190 1124064702 /nfs/dbraw/zinc/06/47/02/1124064702.db2.gz MLRKNJZZSWNSGH-GFCCVEGCSA-N 1 1 250.411 3.710 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nc(CC(C)C)no2)CCCC1(C)C ZINC000444788607 1124064990 /nfs/dbraw/zinc/06/49/90/1124064990.db2.gz WYARYARQVNWQGM-CQSZACIVSA-N 1 1 291.439 3.835 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cc(OC)ccn2)CCCC1(C)C ZINC000444785390 1124065309 /nfs/dbraw/zinc/06/53/09/1124065309.db2.gz XYEZTCZRNVMWHK-MRXNPFEDSA-N 1 1 274.408 3.657 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000428381180 1124069029 /nfs/dbraw/zinc/06/90/29/1124069029.db2.gz NLHSBCZZQUFDQN-UHFFFAOYSA-N 1 1 295.308 3.509 20 30 CHEDMO C=CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000428391167 1124074510 /nfs/dbraw/zinc/07/45/10/1124074510.db2.gz WBSFIXUQZCXFBJ-UHFFFAOYSA-N 1 1 269.392 3.614 20 30 CHEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000428391167 1124074513 /nfs/dbraw/zinc/07/45/13/1124074513.db2.gz WBSFIXUQZCXFBJ-UHFFFAOYSA-N 1 1 269.392 3.614 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1 ZINC000121133133 1124086230 /nfs/dbraw/zinc/08/62/30/1124086230.db2.gz DUECVCRPXFVTNY-CQSZACIVSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446725960 1124120252 /nfs/dbraw/zinc/12/02/52/1124120252.db2.gz KJFQVUVYMFSZGL-GOSISDBHSA-N 1 1 270.420 3.980 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446725961 1124120592 /nfs/dbraw/zinc/12/05/92/1124120592.db2.gz KJFQVUVYMFSZGL-SFHVURJKSA-N 1 1 270.420 3.980 20 30 CHEDMO Cc1occc1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000446765785 1124121238 /nfs/dbraw/zinc/12/12/38/1124121238.db2.gz FNWNFARZQKXKNL-UHFFFAOYSA-N 1 1 273.763 3.725 20 30 CHEDMO Cc1occc1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000446765785 1124121239 /nfs/dbraw/zinc/12/12/39/1124121239.db2.gz FNWNFARZQKXKNL-UHFFFAOYSA-N 1 1 273.763 3.725 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCCC23CCC3)c1 ZINC000446849245 1124124896 /nfs/dbraw/zinc/12/48/96/1124124896.db2.gz XJUIXQWWNOMZRC-UHFFFAOYSA-N 1 1 257.377 3.770 20 30 CHEDMO CC[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446841425 1124125785 /nfs/dbraw/zinc/12/57/85/1124125785.db2.gz PNILDUCQMXASOO-CQSZACIVSA-N 1 1 297.320 3.811 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000446974096 1124130394 /nfs/dbraw/zinc/13/03/94/1124130394.db2.gz HAAMAIMJSDUGDU-LLVKDONJSA-N 1 1 262.319 3.591 20 30 CHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000447100746 1124133300 /nfs/dbraw/zinc/13/33/00/1124133300.db2.gz VOVYVMAUIDFGLT-INIZCTEOSA-N 1 1 278.399 3.930 20 30 CHEDMO C#CC[N@@H+](CCC)[C@H](C)c1ccccc1Br ZINC000071954101 1129175981 /nfs/dbraw/zinc/17/59/81/1129175981.db2.gz JYDMCHUBDNDDAC-GFCCVEGCSA-N 1 1 280.209 3.855 20 30 CHEDMO C#CC[N@H+](CCC)[C@H](C)c1ccccc1Br ZINC000071954101 1129175983 /nfs/dbraw/zinc/17/59/83/1129175983.db2.gz JYDMCHUBDNDDAC-GFCCVEGCSA-N 1 1 280.209 3.855 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)ccc1C#N ZINC001238778422 1131244939 /nfs/dbraw/zinc/24/49/39/1131244939.db2.gz MQPILZWVMVYWHN-UHFFFAOYSA-N 1 1 299.805 3.801 20 30 CHEDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001238781563 1131245762 /nfs/dbraw/zinc/24/57/62/1131245762.db2.gz NCAQLEDGQRHEJU-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001238781563 1131245764 /nfs/dbraw/zinc/24/57/64/1131245764.db2.gz NCAQLEDGQRHEJU-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935496 1131259640 /nfs/dbraw/zinc/25/96/40/1131259640.db2.gz SAAKLNITPNHZGS-HIFRSBDPSA-N 1 1 273.807 3.543 20 30 CHEDMO CC[C@H](NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447521512 1124479765 /nfs/dbraw/zinc/47/97/65/1124479765.db2.gz WLIFQZDVHPOYHW-IBGZPJMESA-N 1 1 299.462 3.721 20 30 CHEDMO CC[C@H](N[C@@H](C)C[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000447609336 1124498913 /nfs/dbraw/zinc/49/89/13/1124498913.db2.gz XWXSEWGTEBETRA-LPHOPBHVSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@@H](N[C@@H](C)C[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000447609337 1124499065 /nfs/dbraw/zinc/49/90/65/1124499065.db2.gz XWXSEWGTEBETRA-QFBILLFUSA-N 1 1 299.462 3.863 20 30 CHEDMO C[N@@H+](CCCCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000429723712 1124503722 /nfs/dbraw/zinc/50/37/22/1124503722.db2.gz KTAGREWQSUONHH-DLBZAZTESA-N 1 1 256.393 3.633 20 30 CHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000448518434 1124583304 /nfs/dbraw/zinc/58/33/04/1124583304.db2.gz CJYOSHWOHWHFBO-UHFFFAOYSA-N 1 1 261.796 3.956 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000428496465 1124592063 /nfs/dbraw/zinc/59/20/63/1124592063.db2.gz PUXQDZDNOGCGEG-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123595115 1124612918 /nfs/dbraw/zinc/61/29/18/1124612918.db2.gz KGRNXKWLDCDLTF-CVEARBPZSA-N 1 1 282.472 3.678 20 30 CHEDMO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc2ccccc21 ZINC000449038912 1124637957 /nfs/dbraw/zinc/63/79/57/1124637957.db2.gz XPFCVYCIHZNWLJ-CQSZACIVSA-N 1 1 294.398 3.972 20 30 CHEDMO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc2ccccc21 ZINC000449038912 1124637960 /nfs/dbraw/zinc/63/79/60/1124637960.db2.gz XPFCVYCIHZNWLJ-CQSZACIVSA-N 1 1 294.398 3.972 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2ccoc21)C1CC1 ZINC000449037851 1124638480 /nfs/dbraw/zinc/63/84/80/1124638480.db2.gz PRFKHXKEGQZOGC-LBPRGKRZSA-N 1 1 254.333 3.557 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2ccoc21)C1CC1 ZINC000449037851 1124638482 /nfs/dbraw/zinc/63/84/82/1124638482.db2.gz PRFKHXKEGQZOGC-LBPRGKRZSA-N 1 1 254.333 3.557 20 30 CHEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246025058 1131275819 /nfs/dbraw/zinc/27/58/19/1131275819.db2.gz BSEVDENCDDFMED-ROUUACIJSA-N 1 1 298.515 3.562 20 30 CHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(O)ccc1F ZINC000872058902 1124669043 /nfs/dbraw/zinc/66/90/43/1124669043.db2.gz ZKXIISIATXIEFV-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449244406 1124679469 /nfs/dbraw/zinc/67/94/69/1124679469.db2.gz SGHYJVYLGXQMFO-HNNXBMFYSA-N 1 1 268.360 3.630 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872262334 1124701863 /nfs/dbraw/zinc/70/18/63/1124701863.db2.gz YQMAEHKSGPVLBZ-INIZCTEOSA-N 1 1 278.440 3.740 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1nc(C#N)cs1 ZINC000449384310 1124718609 /nfs/dbraw/zinc/71/86/09/1124718609.db2.gz AVYCNSQXYBHUHE-WWGRRREGSA-N 1 1 297.427 3.781 20 30 CHEDMO C[C@H](CCC#N)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528719313 1124769588 /nfs/dbraw/zinc/76/95/88/1124769588.db2.gz KYJQKDNELKUSEG-LLVKDONJSA-N 1 1 282.309 3.756 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528719313 1124769590 /nfs/dbraw/zinc/76/95/90/1124769590.db2.gz KYJQKDNELKUSEG-LLVKDONJSA-N 1 1 282.309 3.756 20 30 CHEDMO CC(C)[C@@H]1C[N@@H+](CC(C)(C)CCC#N)[C@H]1C(C)C ZINC000449559878 1124801178 /nfs/dbraw/zinc/80/11/78/1124801178.db2.gz 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/nfs/dbraw/zinc/96/87/96/1124968796.db2.gz ZGJJFTJKIXECPA-BPQIPLTHSA-N 1 1 286.419 3.514 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000876749112 1124974956 /nfs/dbraw/zinc/97/49/56/1124974956.db2.gz KEAUFSCSQIBUED-MAUKXSAKSA-N 1 1 285.435 3.829 20 30 CHEDMO C=CC1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000120786064 1124979064 /nfs/dbraw/zinc/97/90/64/1124979064.db2.gz CYLIOSDYLLOWGX-LBPRGKRZSA-N 1 1 280.437 3.639 20 30 CHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450402018 1125014757 /nfs/dbraw/zinc/01/47/57/1125014757.db2.gz BFOXDDBSIMGUGS-KRWDZBQOSA-N 1 1 268.404 3.696 20 30 CHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC2(C#N)CCC2)cc1 ZINC000450425604 1125015100 /nfs/dbraw/zinc/01/51/00/1125015100.db2.gz NOZVZFUZUUEYDR-HNNXBMFYSA-N 1 1 256.393 3.552 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)C1 ZINC000877192924 1125018204 /nfs/dbraw/zinc/01/82/04/1125018204.db2.gz ULZRERIYRJPLHD-MLGOLLRUSA-N 1 1 289.810 3.619 20 30 CHEDMO C#CCCCCCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000877397917 1125025986 /nfs/dbraw/zinc/02/59/86/1125025986.db2.gz ANPNTLCTOSPUCW-LJQANCHMSA-N 1 1 283.415 3.702 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000450450851 1125030430 /nfs/dbraw/zinc/03/04/30/1125030430.db2.gz HRUYXRVBVOZLQA-CVEARBPZSA-N 1 1 290.357 3.803 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000877562749 1125046928 /nfs/dbraw/zinc/04/69/28/1125046928.db2.gz BKSWSHIICQHATF-RCCFBDPRSA-N 1 1 277.452 3.586 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC000877622465 1125056135 /nfs/dbraw/zinc/05/61/35/1125056135.db2.gz NWZXKOIILDSKGS-LLVKDONJSA-N 1 1 298.308 3.553 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC000877622465 1125056144 /nfs/dbraw/zinc/05/61/44/1125056144.db2.gz NWZXKOIILDSKGS-LLVKDONJSA-N 1 1 298.308 3.553 20 30 CHEDMO CSC(C)(C)CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000877661195 1125059981 /nfs/dbraw/zinc/05/99/81/1125059981.db2.gz XRNRPCFGISMVIW-UHFFFAOYSA-N 1 1 288.460 3.642 20 30 CHEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704853 1125065343 /nfs/dbraw/zinc/06/53/43/1125065343.db2.gz WQWXEAUKSHOFJX-AWEZNQCLSA-N 1 1 284.428 3.725 20 30 CHEDMO CC(C)(CCC#N)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877795274 1125080906 /nfs/dbraw/zinc/08/09/06/1125080906.db2.gz DYDXKFFTYSPQSR-UHFFFAOYSA-N 1 1 291.483 3.657 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)OC1(C)C ZINC000877916618 1125101189 /nfs/dbraw/zinc/10/11/89/1125101189.db2.gz HCPFHVOBCAWBRF-INIZCTEOSA-N 1 1 286.419 3.584 20 30 CHEDMO C[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1cccc(C#N)c1 ZINC000877916758 1125101299 /nfs/dbraw/zinc/10/12/99/1125101299.db2.gz JXHZEYIYZKTZAV-HNNXBMFYSA-N 1 1 278.346 3.816 20 30 CHEDMO C=CC[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000877940583 1125103758 /nfs/dbraw/zinc/10/37/58/1125103758.db2.gz DBOIROFXHXJYDT-NSHDSACASA-N 1 1 285.334 3.693 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000877935243 1125104482 /nfs/dbraw/zinc/10/44/82/1125104482.db2.gz QAPHACSQYNLCSA-IBGZPJMESA-N 1 1 298.430 3.692 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C3CC3)s2)CCCC1(C)C ZINC000450861910 1125114670 /nfs/dbraw/zinc/11/46/70/1125114670.db2.gz DZFISXJWCJPKRL-ZDUSSCGKSA-N 1 1 291.464 3.982 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2nnc(C3CC3)s2)CCCC1(C)C ZINC000450861910 1125114673 /nfs/dbraw/zinc/11/46/73/1125114673.db2.gz DZFISXJWCJPKRL-ZDUSSCGKSA-N 1 1 291.464 3.982 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000878101225 1125120043 /nfs/dbraw/zinc/12/00/43/1125120043.db2.gz PJMOUEMZLLDMBR-IBGZPJMESA-N 1 1 298.430 3.549 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000878101226 1125120148 /nfs/dbraw/zinc/12/01/48/1125120148.db2.gz PJMOUEMZLLDMBR-LJQANCHMSA-N 1 1 298.430 3.549 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878124350 1125122403 /nfs/dbraw/zinc/12/24/03/1125122403.db2.gz GGIRZMAPUJDMQP-QGZVFWFLSA-N 1 1 295.467 3.640 20 30 CHEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000878173921 1125127692 /nfs/dbraw/zinc/12/76/92/1125127692.db2.gz FABHAOKYDXGJGG-HZPDHXFCSA-N 1 1 291.460 3.830 20 30 CHEDMO C#CCCCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000878173922 1125127974 /nfs/dbraw/zinc/12/79/74/1125127974.db2.gz FABHAOKYDXGJGG-JKSUJKDBSA-N 1 1 291.460 3.830 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000530287536 1125139022 /nfs/dbraw/zinc/13/90/22/1125139022.db2.gz VIMKFSNREPRYBT-KRWDZBQOSA-N 1 1 280.346 3.687 20 30 CHEDMO C=CC[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000878304581 1125139138 /nfs/dbraw/zinc/13/91/38/1125139138.db2.gz OMQZXNVPPVGRGD-KKUMJFAQSA-N 1 1 296.455 3.576 20 30 CHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878340192 1125142176 /nfs/dbraw/zinc/14/21/76/1125142176.db2.gz JXDRHYBFLSEWSJ-ATZDWAIDSA-N 1 1 298.430 3.690 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(C)cn1)[C@H]1CCc2ccccc21 ZINC000127531470 1125198595 /nfs/dbraw/zinc/19/85/95/1125198595.db2.gz XPYJWHKIPVTZBA-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C)cn1)[C@H]1CCc2ccccc21 ZINC000127531470 1125198598 /nfs/dbraw/zinc/19/85/98/1125198598.db2.gz XPYJWHKIPVTZBA-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO CC(C)([NH2+]CCCC#N)c1nc2cc(Cl)ccc2o1 ZINC000879158557 1125200440 /nfs/dbraw/zinc/20/04/40/1125200440.db2.gz WESAOKNVSHSQQQ-UHFFFAOYSA-N 1 1 277.755 3.610 20 30 CHEDMO C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000879308360 1125208001 /nfs/dbraw/zinc/20/80/01/1125208001.db2.gz ARINKPHWOUBNSF-XMTFNYHQSA-N 1 1 284.403 3.531 20 30 CHEDMO C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000879308360 1125208003 /nfs/dbraw/zinc/20/80/03/1125208003.db2.gz ARINKPHWOUBNSF-XMTFNYHQSA-N 1 1 284.403 3.531 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433810 1125214216 /nfs/dbraw/zinc/21/42/16/1125214216.db2.gz GGWVKQBCIVASIM-HNNXBMFYSA-N 1 1 289.382 3.665 20 30 CHEDMO C[C@H]1C[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001168138489 1125216882 /nfs/dbraw/zinc/21/68/82/1125216882.db2.gz QGOAPQQJBCCRBD-XJKSGUPXSA-N 1 1 292.810 3.623 20 30 CHEDMO C[C@H]1C[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001168138489 1125216884 /nfs/dbraw/zinc/21/68/84/1125216884.db2.gz QGOAPQQJBCCRBD-XJKSGUPXSA-N 1 1 292.810 3.623 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](F)(c3ccccc3)C2)C1 ZINC000879480507 1125217278 /nfs/dbraw/zinc/21/72/78/1125217278.db2.gz VZGOHOIAPHCOII-PVAVHDDUSA-N 1 1 272.367 3.639 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000879747131 1125229184 /nfs/dbraw/zinc/22/91/84/1125229184.db2.gz BXXSEZYIPLCNBV-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1csc([C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000880012127 1125244657 /nfs/dbraw/zinc/24/46/57/1125244657.db2.gz MGUDVXDNSUUZJW-BBRMVZONSA-N 1 1 297.427 3.874 20 30 CHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000880010281 1125245547 /nfs/dbraw/zinc/24/55/47/1125245547.db2.gz WLHATARKWMQJHE-MRXNPFEDSA-N 1 1 297.427 3.507 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@H+]1CC1(CC#N)CC1 ZINC000880371524 1125267934 /nfs/dbraw/zinc/26/79/34/1125267934.db2.gz JMABCRSAYRWWCA-MRXNPFEDSA-N 1 1 254.377 3.691 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CC1(CC#N)CC1 ZINC000880371523 1125268297 /nfs/dbraw/zinc/26/82/97/1125268297.db2.gz JMABCRSAYRWWCA-INIZCTEOSA-N 1 1 254.377 3.691 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1nccc(C)n1)c1ccccc1 ZINC000880387964 1125270932 /nfs/dbraw/zinc/27/09/32/1125270932.db2.gz HKDLTYQGIFIPHN-QGZVFWFLSA-N 1 1 281.403 3.972 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccccc1 ZINC000880388842 1125271196 /nfs/dbraw/zinc/27/11/96/1125271196.db2.gz AOZJFBXGDXCPAM-OAHLLOKOSA-N 1 1 284.407 3.554 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1O ZINC000179987613 1125286626 /nfs/dbraw/zinc/28/66/26/1125286626.db2.gz MRGRRRKRKRBDQW-UHFFFAOYSA-N 1 1 296.345 3.591 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000191226706 1125323107 /nfs/dbraw/zinc/32/31/07/1125323107.db2.gz LQFZVRRCULLXOR-UHFFFAOYSA-N 1 1 278.440 3.740 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249506 1125323378 /nfs/dbraw/zinc/32/33/78/1125323378.db2.gz WUDNMJXHSRDKLM-CQSZACIVSA-N 1 1 262.784 3.651 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@H]2CCC[C@@H]21 ZINC000399240625 1125339076 /nfs/dbraw/zinc/33/90/76/1125339076.db2.gz UBBYFIYOLYDWMV-IRXDYDNUSA-N 1 1 268.404 3.763 20 30 CHEDMO CC(C)CC[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000399010914 1125339100 /nfs/dbraw/zinc/33/91/00/1125339100.db2.gz XNOLBTNUVDFHMS-UHFFFAOYSA-N 1 1 256.393 3.763 20 30 CHEDMO N#CCCC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000399356617 1125339700 /nfs/dbraw/zinc/33/97/00/1125339700.db2.gz DMFPJMASTHZVOJ-UHFFFAOYSA-N 1 1 280.774 3.995 20 30 CHEDMO CC[C@@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191184082 1125345192 /nfs/dbraw/zinc/34/51/92/1125345192.db2.gz IBHMVXGCOQBUEC-OAHLLOKOSA-N 1 1 281.403 3.697 20 30 CHEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1C#N ZINC000051704110 1125362673 /nfs/dbraw/zinc/36/26/73/1125362673.db2.gz DCGLZYQXCBTPHF-UHFFFAOYSA-N 1 1 280.371 3.589 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1C#N ZINC000051704110 1125362675 /nfs/dbraw/zinc/36/26/75/1125362675.db2.gz DCGLZYQXCBTPHF-UHFFFAOYSA-N 1 1 280.371 3.589 20 30 CHEDMO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000052208944 1125374879 /nfs/dbraw/zinc/37/48/79/1125374879.db2.gz IDCYRKVKNAVRBJ-UHFFFAOYSA-N 1 1 299.462 3.502 20 30 CHEDMO CCCC[N@H+](C)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000052208944 1125374881 /nfs/dbraw/zinc/37/48/81/1125374881.db2.gz IDCYRKVKNAVRBJ-UHFFFAOYSA-N 1 1 299.462 3.502 20 30 CHEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000052208944 1125374883 /nfs/dbraw/zinc/37/48/83/1125374883.db2.gz IDCYRKVKNAVRBJ-UHFFFAOYSA-N 1 1 299.462 3.502 20 30 CHEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000883171658 1125375147 /nfs/dbraw/zinc/37/51/47/1125375147.db2.gz FBTWTEKKMFGSGA-OALUTQOASA-N 1 1 298.474 3.638 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(CCC)nn1)c1ccccc1 ZINC000883324811 1125396278 /nfs/dbraw/zinc/39/62/78/1125396278.db2.gz FAFNOBCGCMECJH-GOSISDBHSA-N 1 1 298.434 3.875 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC)[C@H](C)C1 ZINC001168208149 1125412673 /nfs/dbraw/zinc/41/26/73/1125412673.db2.gz JVGGHHHGQHISAE-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCCN1CC[N@H+](CC)[C@H](C)C1 ZINC001168208149 1125412674 /nfs/dbraw/zinc/41/26/74/1125412674.db2.gz JVGGHHHGQHISAE-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCCN1CC[N@@H+](CC)[C@H](C)C1 ZINC001168208149 1125412677 /nfs/dbraw/zinc/41/26/77/1125412677.db2.gz JVGGHHHGQHISAE-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2sccc2C1 ZINC001253235142 1125416098 /nfs/dbraw/zinc/41/60/98/1125416098.db2.gz HWFOGAOMIRUFID-MRXNPFEDSA-N 1 1 293.476 3.994 20 30 CHEDMO C[N@@H+](C[C@@H](C#N)CCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000028922736 1125416140 /nfs/dbraw/zinc/41/61/40/1125416140.db2.gz DNRVYEFLVQZCLJ-CZVCLPBNSA-N 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1129915520 /nfs/dbraw/zinc/91/55/20/1129915520.db2.gz DMOXOCSDNWRTTN-UHFFFAOYSA-N 1 1 264.372 3.613 20 30 CHEDMO Cc1[nH+]c(CN=Nc2c(C)cccc2F)c2ccccn12 ZINC000769842143 1129929061 /nfs/dbraw/zinc/92/90/61/1129929061.db2.gz YYGMBFWFKFNXJQ-UHFFFAOYSA-N 1 1 282.322 3.536 20 30 CHEDMO Cc1[nH+]c(C=NNc2c(C)cccc2F)c2ccccn12 ZINC000769842143 1129929064 /nfs/dbraw/zinc/92/90/64/1129929064.db2.gz YYGMBFWFKFNXJQ-UHFFFAOYSA-N 1 1 282.322 3.536 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC12CCOCC2 ZINC000769892980 1129930809 /nfs/dbraw/zinc/93/08/09/1129930809.db2.gz MOAODZZFTBJTFB-UHFFFAOYSA-N 1 1 253.430 3.992 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000770288141 1129943423 /nfs/dbraw/zinc/94/34/23/1129943423.db2.gz GFJWYNXTQNTBFW-HNNXBMFYSA-N 1 1 271.404 3.709 20 30 CHEDMO CCCC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1Cl ZINC000801917665 1129958041 /nfs/dbraw/zinc/95/80/41/1129958041.db2.gz LLHJAWMXJSFXST-CQSZACIVSA-N 1 1 294.826 3.871 20 30 CHEDMO Cc1ccccc1C1CC([N@@H+](CCO[C@H](C)C#N)C2CC2)C1 ZINC000801924279 1129959755 /nfs/dbraw/zinc/95/97/55/1129959755.db2.gz UBNHGARXXIUYSZ-KLHKWILBSA-N 1 1 298.430 3.634 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000801925084 1129959849 /nfs/dbraw/zinc/95/98/49/1129959849.db2.gz ZEEVJPWLDRRFAT-MGPQQGTHSA-N 1 1 294.826 3.692 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000801951576 1129963583 /nfs/dbraw/zinc/96/35/83/1129963583.db2.gz XALHTUFZBWGUGY-BBRMVZONSA-N 1 1 292.810 3.796 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2cccc(F)c2C1 ZINC001171004413 1131411834 /nfs/dbraw/zinc/41/18/34/1131411834.db2.gz DWPFTEDAEGGNMD-KRWDZBQOSA-N 1 1 294.373 3.687 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C)cc1-c1cnn(C)c1)C(C)C ZINC000802637499 1130023834 /nfs/dbraw/zinc/02/38/34/1130023834.db2.gz DVWBWHDHAFJPMZ-UHFFFAOYSA-N 1 1 283.419 3.792 20 30 CHEDMO CC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1cccc(C#N)c1 ZINC000902737033 1130048611 /nfs/dbraw/zinc/04/86/11/1130048611.db2.gz OIMDOKRFAQYHJG-LJQANCHMSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1OC ZINC000902741401 1130049962 /nfs/dbraw/zinc/04/99/62/1130049962.db2.gz QHWZPTPCSOLEHH-CZUORRHYSA-N 1 1 295.386 3.764 20 30 CHEDMO CCc1nc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)cs1 ZINC000902795527 1130058555 /nfs/dbraw/zinc/05/85/55/1130058555.db2.gz GULQFYBOEIKIEV-HNNXBMFYSA-N 1 1 285.416 3.818 20 30 CHEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000902884882 1130079072 /nfs/dbraw/zinc/07/90/72/1130079072.db2.gz OSSQPAODESNNGN-YOEHRIQHSA-N 1 1 290.370 3.649 20 30 CHEDMO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1cc(C#N)ccn1 ZINC000902911309 1130082773 /nfs/dbraw/zinc/08/27/73/1130082773.db2.gz SQMALBCLEUQAOM-LBPRGKRZSA-N 1 1 297.789 3.947 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000786443158 1130093994 /nfs/dbraw/zinc/09/39/94/1130093994.db2.gz HKNHWVRUDIKXIX-CQSZACIVSA-N 1 1 282.387 3.675 20 30 CHEDMO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000903032448 1130102837 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C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000903106483 1130113639 /nfs/dbraw/zinc/11/36/39/1130113639.db2.gz RIHOAWYGKSOCON-QMMMGPOBSA-N 1 1 284.190 3.530 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(SCC(F)F)cc1 ZINC000903107081 1130113903 /nfs/dbraw/zinc/11/39/03/1130113903.db2.gz ZWRRKJJWIQIOCE-NSHDSACASA-N 1 1 296.386 3.998 20 30 CHEDMO N#CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000903106635 1130113928 /nfs/dbraw/zinc/11/39/28/1130113928.db2.gz TYNJDVVMCSCKAZ-SFHVURJKSA-N 1 1 291.398 3.649 20 30 CHEDMO C=CCC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccco1 ZINC000903108604 1130114817 /nfs/dbraw/zinc/11/48/17/1130114817.db2.gz FEHHLVDJVXMZDZ-AWEZNQCLSA-N 1 1 258.365 3.960 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000787025127 1130125981 /nfs/dbraw/zinc/12/59/81/1130125981.db2.gz DGYNNPMNFUKMQC-PIGZYNQJSA-N 1 1 296.345 3.741 20 30 CHEDMO N#Cc1ccc(C[N@H+](C[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000746650792 1130138014 /nfs/dbraw/zinc/13/80/14/1130138014.db2.gz KAUGQCPUNKKIGN-CYBMUJFWSA-N 1 1 295.213 3.716 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)c(C)c1 ZINC000787308612 1130146275 /nfs/dbraw/zinc/14/62/75/1130146275.db2.gz DVHYKCBMAPOXFK-CYBMUJFWSA-N 1 1 250.773 3.584 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)c(C)c1 ZINC000787308612 1130146276 /nfs/dbraw/zinc/14/62/76/1130146276.db2.gz DVHYKCBMAPOXFK-CYBMUJFWSA-N 1 1 250.773 3.584 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000787311574 1130147142 /nfs/dbraw/zinc/14/71/42/1130147142.db2.gz VRRXMLYCNJNPFC-ZDUSSCGKSA-N 1 1 251.757 3.586 20 30 CHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCCC(C)C)C1 ZINC001170090817 1130214619 /nfs/dbraw/zinc/21/46/19/1130214619.db2.gz QBUGCHFKTIWQPL-HOTGVXAUSA-N 1 1 296.455 3.578 20 30 CHEDMO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001170097870 1130231569 /nfs/dbraw/zinc/23/15/69/1130231569.db2.gz GCTRJXMAHXDOID-RNFRBKRXSA-N 1 1 281.215 3.598 20 30 CHEDMO C=CC[N@H+](CC[C@H](C)OCc1ccccc1)C(C)C ZINC000789310877 1130242891 /nfs/dbraw/zinc/24/28/91/1130242891.db2.gz WQYFDKVQMGLHFX-INIZCTEOSA-N 1 1 261.409 3.878 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](CC)CCCC)n1 ZINC000789330180 1130245465 /nfs/dbraw/zinc/24/54/65/1130245465.db2.gz ZFGVOLIHRBJXBG-INIZCTEOSA-N 1 1 275.440 3.555 20 30 CHEDMO C#CC[N@@H+](Cc1cc2ccccc2[nH]1)C1CCCC1 ZINC000789734386 1130273295 /nfs/dbraw/zinc/27/32/95/1130273295.db2.gz APFFKQIYKMSARQ-UHFFFAOYSA-N 1 1 252.361 3.546 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@@H](C)c2ccccc2)n1 ZINC000789762250 1130275457 /nfs/dbraw/zinc/27/54/57/1130275457.db2.gz UKHPTLIBSVKYBV-QGZVFWFLSA-N 1 1 295.430 3.532 20 30 CHEDMO C=CC[N@@H+](Cc1nc2ccccn2c1C)Cc1ccccc1 ZINC001137273602 1130280726 /nfs/dbraw/zinc/28/07/26/1130280726.db2.gz PBRULWMSKSHCNC-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccccn2c1C)Cc1ccccc1 ZINC001137273602 1130280729 /nfs/dbraw/zinc/28/07/29/1130280729.db2.gz PBRULWMSKSHCNC-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(C)c2C)cc1 ZINC001240385466 1130284898 /nfs/dbraw/zinc/28/48/98/1130284898.db2.gz UHOIAAXABDACCO-SFHVURJKSA-N 1 1 281.403 3.718 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000826861475 1130296518 /nfs/dbraw/zinc/29/65/18/1130296518.db2.gz GHBVRVAOWYOCFJ-LBPRGKRZSA-N 1 1 280.774 3.647 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000790201709 1130298004 /nfs/dbraw/zinc/29/80/04/1130298004.db2.gz JCHMWFRMMGHSJR-UHFFFAOYSA-N 1 1 286.206 3.877 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000826862019 1130298063 /nfs/dbraw/zinc/29/80/63/1130298063.db2.gz RDAKLVQWWWFITR-QGZVFWFLSA-N 1 1 297.446 3.803 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000826862204 1130298126 /nfs/dbraw/zinc/29/81/26/1130298126.db2.gz WUQAMMGNGUJICJ-JTQLQIEISA-N 1 1 254.786 3.527 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000826862204 1130298130 /nfs/dbraw/zinc/29/81/30/1130298130.db2.gz WUQAMMGNGUJICJ-JTQLQIEISA-N 1 1 254.786 3.527 20 30 CHEDMO SCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240477309 1130322385 /nfs/dbraw/zinc/32/23/85/1130322385.db2.gz NTDBFIGTDVDPPZ-UHFFFAOYSA-N 1 1 299.439 3.616 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001170149055 1130353976 /nfs/dbraw/zinc/35/39/76/1130353976.db2.gz JYXGUSMUKXJYTP-UWWQBHOKSA-N 1 1 284.403 3.590 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001170149053 1130354887 /nfs/dbraw/zinc/35/48/87/1130354887.db2.gz JYXGUSMUKXJYTP-KYJSFNMBSA-N 1 1 284.403 3.590 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)CCC(C)C)cc(OC)c1O ZINC000678137669 1130356695 /nfs/dbraw/zinc/35/66/95/1130356695.db2.gz RIXUJVJKIMOBIK-UHFFFAOYSA-N 1 1 277.408 3.607 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCN(C(=O)CC)CC1 ZINC000792208071 1130438250 /nfs/dbraw/zinc/43/82/50/1130438250.db2.gz HXGOHBNLMAMMAI-UHFFFAOYSA-N 1 1 282.472 3.681 20 30 CHEDMO CCCCCCCCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000792232301 1130439310 /nfs/dbraw/zinc/43/93/10/1130439310.db2.gz OQMMAEWTTLVCBS-INIZCTEOSA-N 1 1 254.462 3.621 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000792232301 1130439313 /nfs/dbraw/zinc/43/93/13/1130439313.db2.gz OQMMAEWTTLVCBS-INIZCTEOSA-N 1 1 254.462 3.621 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+](CCc1ccccc1)C1CC1 ZINC000792210027 1130441275 /nfs/dbraw/zinc/44/12/75/1130441275.db2.gz IZGJDHOXJQCCKN-UHFFFAOYSA-N 1 1 275.395 3.745 20 30 CHEDMO C#CC[N@@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000792302209 1130443662 /nfs/dbraw/zinc/44/36/62/1130443662.db2.gz RICOFZQYVCAEDI-UHFFFAOYSA-N 1 1 284.428 3.999 20 30 CHEDMO C#CC[N@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000792302209 1130443666 /nfs/dbraw/zinc/44/36/66/1130443666.db2.gz RICOFZQYVCAEDI-UHFFFAOYSA-N 1 1 284.428 3.999 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001170196345 1130461863 /nfs/dbraw/zinc/46/18/63/1130461863.db2.gz ZGELGGJGXKUUNP-RTBURBONSA-N 1 1 287.447 3.757 20 30 CHEDMO CC(C)(C)OC(=O)Nc1cc(NCC(C)(C)S)cc[nH+]1 ZINC001170305927 1130478114 /nfs/dbraw/zinc/47/81/14/1130478114.db2.gz 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C[N@@H+](CCCc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC001139874771 1131644274 /nfs/dbraw/zinc/64/42/74/1131644274.db2.gz LKSAWLVYHDNHJA-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C)nc1 ZINC001139931667 1131650935 /nfs/dbraw/zinc/65/09/35/1131650935.db2.gz SMSAWWOYJQQJPH-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccccc1-c1cncnc1 ZINC001140020662 1131656817 /nfs/dbraw/zinc/65/68/17/1131656817.db2.gz CWTISSOGXWTYLV-UHFFFAOYSA-N 1 1 281.403 3.932 20 30 CHEDMO C#Cc1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cc1 ZINC001144579064 1131660346 /nfs/dbraw/zinc/66/03/46/1131660346.db2.gz XAPUBYSHZQOSFP-UHFFFAOYSA-N 1 1 292.426 3.756 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC001144573955 1131660748 /nfs/dbraw/zinc/66/07/48/1131660748.db2.gz VTHYWAICGYNSFZ-UHFFFAOYSA-N 1 1 269.775 3.953 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1 ZINC001144580499 1131661129 /nfs/dbraw/zinc/66/11/29/1131661129.db2.gz DSFHZQFYBPSGST-UHFFFAOYSA-N 1 1 261.368 3.535 20 30 CHEDMO C#Cc1ccc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001144573910 1131661325 /nfs/dbraw/zinc/66/13/25/1131661325.db2.gz TUDHWLDXDLCOQX-FQEVSTJZSA-N 1 1 296.458 3.508 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115104 1131665596 /nfs/dbraw/zinc/66/55/96/1131665596.db2.gz MULXJVPVAXMPCU-BETUJISGSA-N 1 1 267.376 3.517 20 30 CHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC001140136118 1131666805 /nfs/dbraw/zinc/66/68/05/1131666805.db2.gz KSMMIFOLWNVING-UHFFFAOYSA-N 1 1 282.309 3.565 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC001140136118 1131666810 /nfs/dbraw/zinc/66/68/10/1131666810.db2.gz KSMMIFOLWNVING-UHFFFAOYSA-N 1 1 282.309 3.565 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001171203109 1131675582 /nfs/dbraw/zinc/67/55/82/1131675582.db2.gz JFAKYGXDCZIIHK-KGLIPLIRSA-N 1 1 292.373 3.856 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCCCCC(C)(C)C ZINC001144685266 1131683975 /nfs/dbraw/zinc/68/39/75/1131683975.db2.gz AUZBVYVNUXPJFO-INIZCTEOSA-N 1 1 294.483 3.750 20 30 CHEDMO CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](CC#N)C3)c2c1 ZINC001140270226 1131686554 /nfs/dbraw/zinc/68/65/54/1131686554.db2.gz CLPHKHZSRKISRM-AWEZNQCLSA-N 1 1 297.402 3.692 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCc2ccccc2C1 ZINC001171220795 1131706149 /nfs/dbraw/zinc/70/61/49/1131706149.db2.gz CCDDFZATUPXHTG-MRXNPFEDSA-N 1 1 290.410 3.938 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001171220961 1131706206 /nfs/dbraw/zinc/70/62/06/1131706206.db2.gz GGPNGCKGLYEEHE-HNAYVOBHSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ccncc1 ZINC001171220962 1131706374 /nfs/dbraw/zinc/70/63/74/1131706374.db2.gz GGPNGCKGLYEEHE-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1F ZINC001171221721 1131706767 /nfs/dbraw/zinc/70/67/67/1131706767.db2.gz TVGSAWRMKJMVPQ-AWEZNQCLSA-N 1 1 282.362 3.760 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cccc(F)c2C1 ZINC001171222993 1131707497 /nfs/dbraw/zinc/70/74/97/1131707497.db2.gz LAXYTWLONOCGPD-CYBMUJFWSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cccc(F)c2C1 ZINC001171222993 1131707500 /nfs/dbraw/zinc/70/75/00/1131707500.db2.gz LAXYTWLONOCGPD-CYBMUJFWSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1F ZINC001171229549 1131711834 /nfs/dbraw/zinc/71/18/34/1131711834.db2.gz OUUKGAIYDXKLGK-HNNXBMFYSA-N 1 1 296.389 3.803 20 30 CHEDMO CCC[N@@H+](CC(C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229297 1131712040 /nfs/dbraw/zinc/71/20/40/1131712040.db2.gz LNZMIBQMZQUNJW-OAHLLOKOSA-N 1 1 258.409 3.857 20 30 CHEDMO C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000834895122 1131720960 /nfs/dbraw/zinc/72/09/60/1131720960.db2.gz ZINFXVDHJDXRLR-IPQPSQTFSA-N 1 1 284.447 3.909 20 30 CHEDMO CC(C)c1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1 ZINC000835018824 1131756875 /nfs/dbraw/zinc/75/68/75/1131756875.db2.gz VOWFDHUWFKZUBP-UHFFFAOYSA-N 1 1 294.402 3.940 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)cn1 ZINC001140540109 1131786045 /nfs/dbraw/zinc/78/60/45/1131786045.db2.gz JPTBTIUDBZJUKX-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC001146516679 1131790180 /nfs/dbraw/zinc/79/01/80/1131790180.db2.gz ICIKRHMFXRLYAK-DLBZAZTESA-N 1 1 296.499 3.926 20 30 CHEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC001146516679 1131790186 /nfs/dbraw/zinc/79/01/86/1131790186.db2.gz ICIKRHMFXRLYAK-DLBZAZTESA-N 1 1 296.499 3.926 20 30 CHEDMO C[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccc1Cl ZINC001140599811 1131821736 /nfs/dbraw/zinc/82/17/36/1131821736.db2.gz RVQQTMJLXDELTD-UHFFFAOYSA-N 1 1 284.790 3.886 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC001140602807 1131822400 /nfs/dbraw/zinc/82/24/00/1131822400.db2.gz PXVIBMFMNOZQSJ-UHFFFAOYSA-N 1 1 260.768 3.588 20 30 CHEDMO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)[C@H]1CCc2ccccc21 ZINC001140755856 1131907781 /nfs/dbraw/zinc/90/77/81/1131907781.db2.gz VVHAWSDSAMIAPK-SFHVURJKSA-N 1 1 298.336 3.956 20 30 CHEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC001171372660 1131920094 /nfs/dbraw/zinc/92/00/94/1131920094.db2.gz LZMKCNPTPPLJNX-LBPRGKRZSA-N 1 1 294.358 3.696 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001140800630 1131925003 /nfs/dbraw/zinc/92/50/03/1131925003.db2.gz PFFZXCDHZVBUML-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1Cl ZINC001140811209 1131933379 /nfs/dbraw/zinc/93/33/79/1131933379.db2.gz MLZFDKDNJKBBTE-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1Cl)C(C)(C)C ZINC001140814126 1131934539 /nfs/dbraw/zinc/93/45/39/1131934539.db2.gz BXRNUXSDMGVZCR-UHFFFAOYSA-N 1 1 262.784 3.998 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1c(N)cccc1F ZINC001140877415 1131956089 /nfs/dbraw/zinc/95/60/89/1131956089.db2.gz NDNDGZGSNVKJGL-UHFFFAOYSA-N 1 1 270.351 3.596 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1c(N)cccc1F ZINC001140877415 1131956098 /nfs/dbraw/zinc/95/60/98/1131956098.db2.gz NDNDGZGSNVKJGL-UHFFFAOYSA-N 1 1 270.351 3.596 20 30 CHEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001140924641 1131966562 /nfs/dbraw/zinc/96/65/62/1131966562.db2.gz KBZKIGSUZBFFGL-ZDUSSCGKSA-N 1 1 291.826 3.532 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1C ZINC001140963899 1131976340 /nfs/dbraw/zinc/97/63/40/1131976340.db2.gz LKJIEANHHRWZKM-UHFFFAOYSA-N 1 1 259.271 3.511 20 30 CHEDMO C[N@H+]1CCC[C@@H](Oc2ccc3ccc(C#N)cc3c2)CC1 ZINC001228970974 1131987903 /nfs/dbraw/zinc/98/79/03/1131987903.db2.gz YPJHDLRZGGGECW-QGZVFWFLSA-N 1 1 280.371 3.575 20 30 CHEDMO C=C(C)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001229075842 1132011554 /nfs/dbraw/zinc/01/15/54/1132011554.db2.gz MRPXVDQYLVGNCE-QLPKVWCKSA-N 1 1 257.377 3.724 20 30 CHEDMO C=CC[N@@H+]([C@@H]1CCc2c(F)cccc2C1)C(C)(C)C ZINC001171441901 1132019554 /nfs/dbraw/zinc/01/95/54/1132019554.db2.gz NXASYSAAUUVYCL-CQSZACIVSA-N 1 1 261.384 3.970 20 30 CHEDMO 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/nfs/dbraw/zinc/23/76/92/1131237692.db2.gz RWKLUJXCCZRZJU-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC000483114849 1126768588 /nfs/dbraw/zinc/76/85/88/1126768588.db2.gz LMMMUPOPSLNHCO-INIZCTEOSA-N 1 1 298.336 3.826 20 30 CHEDMO Cc1csc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000174542428 1126771787 /nfs/dbraw/zinc/77/17/87/1126771787.db2.gz KRUVNFGCHZTMBU-HNNXBMFYSA-N 1 1 283.400 3.564 20 30 CHEDMO C[N@@H+](CCCOc1ccccc1)CCCC(C)(C)C#N ZINC000174819481 1126773286 /nfs/dbraw/zinc/77/32/86/1126773286.db2.gz FFNGEBIQZSQBDR-UHFFFAOYSA-N 1 1 274.408 3.717 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000483273693 1126777538 /nfs/dbraw/zinc/77/75/38/1126777538.db2.gz UOKANDGYBPGRDX-AWEZNQCLSA-N 1 1 284.403 3.599 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000483273693 1126777543 /nfs/dbraw/zinc/77/75/43/1126777543.db2.gz UOKANDGYBPGRDX-AWEZNQCLSA-N 1 1 284.403 3.599 20 30 CHEDMO N#Cc1cc(C[N@@H+](CC2CC2)CC2CCC2)ccc1F ZINC000483293274 1126777646 /nfs/dbraw/zinc/77/76/46/1126777646.db2.gz UQCXZEBTURAAEH-UHFFFAOYSA-N 1 1 272.367 3.709 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@@H]1c1cccc(F)c1 ZINC000175153797 1126777739 /nfs/dbraw/zinc/77/77/39/1126777739.db2.gz BFTAASLRGNTWIB-CJNGLKHVSA-N 1 1 292.423 3.855 20 30 CHEDMO C=CCCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001170298915 1130476579 /nfs/dbraw/zinc/47/65/79/1130476579.db2.gz VHMVUMNUAOWQSA-HNNXBMFYSA-N 1 1 259.397 3.617 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483519540 1126790730 /nfs/dbraw/zinc/79/07/30/1126790730.db2.gz QCGZJUKKHMLMAJ-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000483516684 1126790959 /nfs/dbraw/zinc/79/09/59/1126790959.db2.gz QAZTZIDYLKCJHA-QGZVFWFLSA-N 1 1 267.397 3.937 20 30 CHEDMO C=CC[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483519588 1126791199 /nfs/dbraw/zinc/79/11/99/1126791199.db2.gz QPQLSPXVWDDDFI-UHFFFAOYSA-N 1 1 261.368 3.726 20 30 CHEDMO C=CC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483519588 1126791202 /nfs/dbraw/zinc/79/12/02/1126791202.db2.gz QPQLSPXVWDDDFI-UHFFFAOYSA-N 1 1 261.368 3.726 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000483535053 1126791804 /nfs/dbraw/zinc/79/18/04/1126791804.db2.gz DVSDPLIRCGXTLS-IBGZPJMESA-N 1 1 261.368 3.875 20 30 CHEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162865442 1126792562 /nfs/dbraw/zinc/79/25/62/1126792562.db2.gz ZWGXNDZVLAEONR-LLVKDONJSA-N 1 1 250.773 3.690 20 30 CHEDMO COc1cccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000483535563 1126793053 /nfs/dbraw/zinc/79/30/53/1126793053.db2.gz GTHPUQMWHWHNPO-FQEVSTJZSA-N 1 1 291.394 3.884 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000138909729 1126793885 /nfs/dbraw/zinc/79/38/85/1126793885.db2.gz LWVNBAOGRNVGKZ-GOSISDBHSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000138909729 1126793889 /nfs/dbraw/zinc/79/38/89/1126793889.db2.gz LWVNBAOGRNVGKZ-GOSISDBHSA-N 1 1 296.345 3.740 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177792392 1126805697 /nfs/dbraw/zinc/80/56/97/1126805697.db2.gz VXQLBLDAYHWRIQ-GOSISDBHSA-N 1 1 299.462 3.917 20 30 CHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000484018693 1126809777 /nfs/dbraw/zinc/80/97/77/1126809777.db2.gz QDQKSKUFZZRAQD-OAHLLOKOSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510683 1126815006 /nfs/dbraw/zinc/81/50/06/1126815006.db2.gz DZBYGHXRWVPNKA-OAHLLOKOSA-N 1 1 293.414 3.866 20 30 CHEDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510683 1126815009 /nfs/dbraw/zinc/81/50/09/1126815009.db2.gz DZBYGHXRWVPNKA-OAHLLOKOSA-N 1 1 293.414 3.866 20 30 CHEDMO C=CC[N@H+](CCOC(C)(C)C)CC1CCCCC1 ZINC000484542271 1126826686 /nfs/dbraw/zinc/82/66/86/1126826686.db2.gz MMJGYYXNWBNJHL-UHFFFAOYSA-N 1 1 253.430 3.870 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2C)no1 ZINC000904596095 1126861290 /nfs/dbraw/zinc/86/12/90/1126861290.db2.gz FDZZJSQQQXOUJL-ZDUSSCGKSA-N 1 1 275.327 3.540 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC000904679033 1126865517 /nfs/dbraw/zinc/86/55/17/1126865517.db2.gz XJIOYBJBZGXEOS-NSHDSACASA-N 1 1 295.745 3.885 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(CC2(C)CCCC2)no1 ZINC000904720709 1126867042 /nfs/dbraw/zinc/86/70/42/1126867042.db2.gz DMTAGHDQUASPEE-GFCCVEGCSA-N 1 1 263.385 3.549 20 30 CHEDMO C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000187721722 1126913690 /nfs/dbraw/zinc/91/36/90/1126913690.db2.gz NGKNKJAEMMRMRV-STQMWFEESA-N 1 1 285.416 3.811 20 30 CHEDMO Cc1ncsc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187675353 1126913044 /nfs/dbraw/zinc/91/30/44/1126913044.db2.gz VPRMTAROGCKYHE-GFCCVEGCSA-N 1 1 271.389 3.516 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000668492788 1126917716 /nfs/dbraw/zinc/91/77/16/1126917716.db2.gz GFFWEIPCXRESNF-AWEZNQCLSA-N 1 1 273.424 3.562 20 30 CHEDMO C=CC[N@H+](Cc1cnc(OC(C)C)cc1C)C(C)(C)C ZINC001235433872 1130743690 /nfs/dbraw/zinc/74/36/90/1130743690.db2.gz UIDVZMVRQSQFJF-UHFFFAOYSA-N 1 1 276.424 3.964 20 30 CHEDMO CCCO[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189883597 1126936091 /nfs/dbraw/zinc/93/60/91/1126936091.db2.gz VVIMMMBQHQMSTJ-YJBOKZPZSA-N 1 1 286.419 3.900 20 30 CHEDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1C#N ZINC000191368758 1126951488 /nfs/dbraw/zinc/95/14/88/1126951488.db2.gz VMFGPMODYWMQAI-MRXNPFEDSA-N 1 1 283.375 3.607 20 30 CHEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccccc1F ZINC000266683964 1126986666 /nfs/dbraw/zinc/98/66/66/1126986666.db2.gz AAGHWGTXPCPKLC-UHFFFAOYSA-N 1 1 280.412 3.683 20 30 CHEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486804261 1127004658 /nfs/dbraw/zinc/00/46/58/1127004658.db2.gz UUASCYNJYDZKSB-KRWDZBQOSA-N 1 1 299.418 3.541 20 30 CHEDMO CC(C)OCCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000268955308 1127030101 /nfs/dbraw/zinc/03/01/01/1127030101.db2.gz GSANPXGVPGYONY-UHFFFAOYSA-N 1 1 288.435 3.735 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000268910196 1127027605 /nfs/dbraw/zinc/02/76/05/1127027605.db2.gz MVKHHMVQKUEBCU-MNOVXSKESA-N 1 1 281.197 3.602 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000268910196 1127027608 /nfs/dbraw/zinc/02/76/08/1127027608.db2.gz MVKHHMVQKUEBCU-MNOVXSKESA-N 1 1 281.197 3.602 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1cccnc1 ZINC000270550331 1127057806 /nfs/dbraw/zinc/05/78/06/1127057806.db2.gz AXRFGDIMKXTILR-CQSZACIVSA-N 1 1 265.360 3.536 20 30 CHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271035677 1127065458 /nfs/dbraw/zinc/06/54/58/1127065458.db2.gz JQBQKIYHNURKNI-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(C)c1)c1nccs1 ZINC000488245884 1127066762 /nfs/dbraw/zinc/06/67/62/1127066762.db2.gz CEASAFGXHRKFPF-MRXNPFEDSA-N 1 1 285.416 3.738 20 30 CHEDMO Cc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)ccc1C#N ZINC000488271155 1127067296 /nfs/dbraw/zinc/06/72/96/1127067296.db2.gz YFCAJFROZPYZRU-CYBMUJFWSA-N 1 1 285.416 3.559 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1C ZINC000488289421 1127069160 /nfs/dbraw/zinc/06/91/60/1127069160.db2.gz FNXUYTFIHUZFNQ-YOEHRIQHSA-N 1 1 256.393 3.672 20 30 CHEDMO CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001258339894 1129214624 /nfs/dbraw/zinc/21/46/24/1129214624.db2.gz BNYTUXKXXLGJLN-CHWSQXEVSA-N 1 1 254.443 3.532 20 30 CHEDMO Cc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001236853487 1131023793 /nfs/dbraw/zinc/02/37/93/1131023793.db2.gz MBCQOIGEJRQMNX-ZDUSSCGKSA-N 1 1 262.784 3.774 20 30 CHEDMO C=CCSc1nc2ccccc2n1C[N@H+](CC)C1CC1 ZINC000912854128 1127115229 /nfs/dbraw/zinc/11/52/29/1127115229.db2.gz BJKICRPTEJEBQN-UHFFFAOYSA-N 1 1 287.432 3.756 20 30 CHEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000283208772 1127126529 /nfs/dbraw/zinc/12/65/29/1127126529.db2.gz RVPRYVGHPYUQKH-LLVKDONJSA-N 1 1 253.415 3.586 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000283208772 1127126530 /nfs/dbraw/zinc/12/65/30/1127126530.db2.gz RVPRYVGHPYUQKH-LLVKDONJSA-N 1 1 253.415 3.586 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC(C)(C)COC ZINC000348872287 1127132263 /nfs/dbraw/zinc/13/22/63/1127132263.db2.gz CBSGRISGWRAHOR-UHFFFAOYSA-N 1 1 293.455 3.515 20 30 CHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000164488136 1127168036 /nfs/dbraw/zinc/16/80/36/1127168036.db2.gz AOUGXWZZQZNDLH-UHFFFAOYSA-N 1 1 287.403 3.505 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000350313624 1127177140 /nfs/dbraw/zinc/17/71/40/1127177140.db2.gz ADVGODJTUDRWBT-OAHLLOKOSA-N 1 1 274.408 3.990 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525250 1131111361 /nfs/dbraw/zinc/11/13/61/1131111361.db2.gz BYWBDIDOUGRELD-AWEZNQCLSA-N 1 1 278.346 3.991 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1Br)C1CCC1 ZINC000350948975 1127183027 /nfs/dbraw/zinc/18/30/27/1127183027.db2.gz JPVPGFPTLPFALB-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)C#N ZINC000589174661 1127213806 /nfs/dbraw/zinc/21/38/06/1127213806.db2.gz IIPDSYZDXDNTPP-BCMYLCSRSA-N 1 1 282.309 3.858 20 30 CHEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000572539944 1127221689 /nfs/dbraw/zinc/22/16/89/1127221689.db2.gz QDKRPTUSJVDCOI-SFHVURJKSA-N 1 1 291.398 3.926 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000589498403 1127223357 /nfs/dbraw/zinc/22/33/57/1127223357.db2.gz MCSUUHRNPPJOOI-OAHLLOKOSA-N 1 1 294.320 3.951 20 30 CHEDMO C=CCCC[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352441333 1127232891 /nfs/dbraw/zinc/23/28/91/1127232891.db2.gz WJBDSDTVOCCBSG-UHFFFAOYSA-N 1 1 257.377 3.509 20 30 CHEDMO CCCC[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000352421073 1127231401 /nfs/dbraw/zinc/23/14/01/1127231401.db2.gz AHYQMYFYFXWFLK-OAHLLOKOSA-N 1 1 266.429 3.597 20 30 CHEDMO CC(C)O[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000589990770 1127243454 /nfs/dbraw/zinc/24/34/54/1127243454.db2.gz BGOVNCONKHWXCV-ROUUACIJSA-N 1 1 286.419 3.778 20 30 CHEDMO CC(C)O[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000589990770 1127243458 /nfs/dbraw/zinc/24/34/58/1127243458.db2.gz BGOVNCONKHWXCV-ROUUACIJSA-N 1 1 286.419 3.778 20 30 CHEDMO CCc1nocc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000590345609 1127256386 /nfs/dbraw/zinc/25/63/86/1127256386.db2.gz MZCWALRMNLRIFI-UHFFFAOYSA-N 1 1 283.375 3.519 20 30 CHEDMO COCc1ccccc1/C=C(/C)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590362460 1127256955 /nfs/dbraw/zinc/25/69/55/1127256955.db2.gz KOZLSFGIMRLEBH-QMDZLVRISA-N 1 1 298.430 3.862 20 30 CHEDMO COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590362460 1127256959 /nfs/dbraw/zinc/25/69/59/1127256959.db2.gz KOZLSFGIMRLEBH-QMDZLVRISA-N 1 1 298.430 3.862 20 30 CHEDMO CC(C)(C)[N@H+]1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000590687331 1127266538 /nfs/dbraw/zinc/26/65/38/1127266538.db2.gz PDQRXKBYHKOWOY-UHFFFAOYSA-N 1 1 291.826 3.522 20 30 CHEDMO CC[C@@H](NCC[N@@H+]1CCCC[C@H]1CC)c1ccc(C#N)cc1 ZINC000573057113 1127281274 /nfs/dbraw/zinc/28/12/74/1127281274.db2.gz ODXIZOIMEWQAPF-RTBURBONSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@@H](NCC[N@H+]1CCCC[C@H]1CC)c1ccc(C#N)cc1 ZINC000573057113 1127281276 /nfs/dbraw/zinc/28/12/76/1127281276.db2.gz ODXIZOIMEWQAPF-RTBURBONSA-N 1 1 299.462 3.863 20 30 CHEDMO Cc1ccc2cc(C[N@@H+](C)CC(C)(C)C#N)ccc2n1 ZINC000354017538 1127285528 /nfs/dbraw/zinc/28/55/28/1127285528.db2.gz KSDPVCOLSCMBGJ-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO Cc1ccc2cc(C[N@H+](C)CC(C)(C)C#N)ccc2n1 ZINC000354017538 1127285529 /nfs/dbraw/zinc/28/55/29/1127285529.db2.gz KSDPVCOLSCMBGJ-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063355 1127286113 /nfs/dbraw/zinc/28/61/13/1127286113.db2.gz RFUFIWXXLHQSTH-SUMWQHHRSA-N 1 1 254.377 3.741 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000354034622 1127287133 /nfs/dbraw/zinc/28/71/33/1127287133.db2.gz SWTQTYWPFUNNQD-ZDUSSCGKSA-N 1 1 284.403 3.524 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000354034622 1127287137 /nfs/dbraw/zinc/28/71/37/1127287137.db2.gz SWTQTYWPFUNNQD-ZDUSSCGKSA-N 1 1 284.403 3.524 20 30 CHEDMO CC[C@]1(C)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000354105934 1127293458 /nfs/dbraw/zinc/29/34/58/1127293458.db2.gz GAUZVSWERUVIQC-GOSISDBHSA-N 1 1 286.419 3.991 20 30 CHEDMO CCCCCCCCC[N@H+](C)Cc1ncc(C)cn1 ZINC000760817721 1127295063 /nfs/dbraw/zinc/29/50/63/1127295063.db2.gz FMAQRRAJCLDTPU-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1ncc(C)cn1 ZINC000760817721 1127295065 /nfs/dbraw/zinc/29/50/65/1127295065.db2.gz FMAQRRAJCLDTPU-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000354126013 1127295056 /nfs/dbraw/zinc/29/50/56/1127295056.db2.gz HRZUANHGCJRIPN-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000354126013 1127295058 /nfs/dbraw/zinc/29/50/58/1127295058.db2.gz HRZUANHGCJRIPN-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN(CCCC)C2=O ZINC001275324739 1127308631 /nfs/dbraw/zinc/30/86/31/1127308631.db2.gz IKGGFCWGQWWMPY-SFHVURJKSA-N 1 1 292.467 3.600 20 30 CHEDMO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046054171 1127327729 /nfs/dbraw/zinc/32/77/29/1127327729.db2.gz BFSWONAKVSYZKF-MAUKXSAKSA-N 1 1 286.419 3.585 20 30 CHEDMO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592058203 1127333402 /nfs/dbraw/zinc/33/34/02/1127333402.db2.gz VQEVRYGLOZBNAO-OAHLLOKOSA-N 1 1 279.387 3.754 20 30 CHEDMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592058203 1127333405 /nfs/dbraw/zinc/33/34/05/1127333405.db2.gz VQEVRYGLOZBNAO-OAHLLOKOSA-N 1 1 279.387 3.754 20 30 CHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592071996 1127335234 /nfs/dbraw/zinc/33/52/34/1127335234.db2.gz BCLKNSXBTUKWOP-IBGZPJMESA-N 1 1 293.414 3.715 20 30 CHEDMO CC(C)CC1(C)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592122741 1127335844 /nfs/dbraw/zinc/33/58/44/1127335844.db2.gz MWTKXLCJRUABMH-UHFFFAOYSA-N 1 1 271.408 3.601 20 30 CHEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc2c(c1)CCCC2 ZINC000592095431 1127335853 /nfs/dbraw/zinc/33/58/53/1127335853.db2.gz WXKXOVGHOCZKNL-AWEZNQCLSA-N 1 1 291.398 3.683 20 30 CHEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592116307 1127336118 /nfs/dbraw/zinc/33/61/18/1127336118.db2.gz ILBLBNMCYYQNIR-QAPCUYQASA-N 1 1 291.398 3.640 20 30 CHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCCCC#N ZINC000592143485 1127337104 /nfs/dbraw/zinc/33/71/04/1127337104.db2.gz FEPYWAZBIGRCGX-KRWDZBQOSA-N 1 1 274.383 3.917 20 30 CHEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1csc(C)c1 ZINC000592187203 1127338043 /nfs/dbraw/zinc/33/80/43/1127338043.db2.gz IFEYNRRVSXNYOM-JSGCOSHPSA-N 1 1 261.394 3.541 20 30 CHEDMO CC(C)[N@@H+](CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592153994 1127338598 /nfs/dbraw/zinc/33/85/98/1127338598.db2.gz GHMAXEXASREKSC-LJQANCHMSA-N 1 1 299.462 3.665 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)s1 ZINC000592528303 1127353355 /nfs/dbraw/zinc/35/33/55/1127353355.db2.gz IHBBNUDMCYCYPV-OAHLLOKOSA-N 1 1 260.406 3.774 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cnccc2C)c1 ZINC000355612050 1127354604 /nfs/dbraw/zinc/35/46/04/1127354604.db2.gz UAOKOWSOFPASCC-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cncc(C#N)c2)cc1 ZINC000592984847 1127367070 /nfs/dbraw/zinc/36/70/70/1127367070.db2.gz BIOARESLEUPHTB-CQSZACIVSA-N 1 1 277.371 3.605 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCc2occc2C1 ZINC000288977324 1127368652 /nfs/dbraw/zinc/36/86/52/1127368652.db2.gz ZDXVJPMAMMVJOW-ZDUSSCGKSA-N 1 1 266.344 3.661 20 30 CHEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593081060 1127372188 /nfs/dbraw/zinc/37/21/88/1127372188.db2.gz GKMVNTWFQNTJKV-MRXNPFEDSA-N 1 1 274.383 3.917 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289872898 1127385326 /nfs/dbraw/zinc/38/53/26/1127385326.db2.gz QWWRFPDUFNRKRG-UHFFFAOYSA-N 1 1 294.757 3.899 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc(C3CCCC3)s2)CCCC1 ZINC000593652793 1127392975 /nfs/dbraw/zinc/39/29/75/1127392975.db2.gz MVZWMZIHDSWLJX-UHFFFAOYSA-N 1 1 289.448 3.974 20 30 CHEDMO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000291028300 1127398766 /nfs/dbraw/zinc/39/87/66/1127398766.db2.gz YGQWBGKZCORJHM-ZIAGYGMSSA-N 1 1 295.427 3.780 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000291028289 1127399031 /nfs/dbraw/zinc/39/90/31/1127399031.db2.gz YGQWBGKZCORJHM-KBPBESRZSA-N 1 1 295.427 3.780 20 30 CHEDMO N#CCCCC[C@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000593941747 1127400084 /nfs/dbraw/zinc/40/00/84/1127400084.db2.gz AUYXLTHVCBFAJF-ZDUSSCGKSA-N 1 1 276.384 3.591 20 30 CHEDMO CC(C)(C)OC(=O)C[N@@H+](CCCC(C)(C)C#N)C1CCC1 ZINC000594051171 1127406782 /nfs/dbraw/zinc/40/67/82/1127406782.db2.gz IDLOMXHETAHJHF-UHFFFAOYSA-N 1 1 294.439 3.513 20 30 CHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC2(CCCCC2)O1 ZINC000594615365 1127426205 /nfs/dbraw/zinc/42/62/05/1127426205.db2.gz NLBQNUZRPJGTEC-OAHLLOKOSA-N 1 1 278.440 3.740 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(C#N)cc1F ZINC000358581627 1127428021 /nfs/dbraw/zinc/42/80/21/1127428021.db2.gz YZFYDJWWTUMTJB-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO COc1cccc(C2([NH2+]Cc3ccccc3C#N)CCC2)c1 ZINC000594996550 1127444346 /nfs/dbraw/zinc/44/43/46/1127444346.db2.gz DIDXIFZLNXTJAN-UHFFFAOYSA-N 1 1 292.382 3.736 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc(Cl)c2)CCCCC1 ZINC000594996281 1127444475 /nfs/dbraw/zinc/44/44/75/1127444475.db2.gz XYKXTLPAJZQFSY-UHFFFAOYSA-N 1 1 262.784 3.904 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc2cnccc2o1 ZINC000595091982 1127455008 /nfs/dbraw/zinc/45/50/08/1127455008.db2.gz WAMNMBMTCSKHRA-CYBMUJFWSA-N 1 1 283.375 3.952 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000359306544 1127458181 /nfs/dbraw/zinc/45/81/81/1127458181.db2.gz XFHDKDDUPGTZDX-GUYCJALGSA-N 1 1 272.367 3.709 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000595288540 1127458194 /nfs/dbraw/zinc/45/81/94/1127458194.db2.gz NJJWPGXQFORUSS-MRXNPFEDSA-N 1 1 282.412 3.999 20 30 CHEDMO CSc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000595336038 1127459093 /nfs/dbraw/zinc/45/90/93/1127459093.db2.gz ZDFGYOXZKYFJLO-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO CSc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000595336038 1127459095 /nfs/dbraw/zinc/45/90/95/1127459095.db2.gz ZDFGYOXZKYFJLO-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO CC[N@@H+](CC[C@H]1CCc2ccccc21)C[C@@H](C)C#N ZINC000595305820 1127459619 /nfs/dbraw/zinc/45/96/19/1127459619.db2.gz RKCKCEUIXIERDI-GOEBONIOSA-N 1 1 256.393 3.588 20 30 CHEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000761107520 1127460361 /nfs/dbraw/zinc/46/03/61/1127460361.db2.gz FXALOCVAZJDNDU-NSHDSACASA-N 1 1 286.202 3.636 20 30 CHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000595359562 1127460671 /nfs/dbraw/zinc/46/06/71/1127460671.db2.gz MDSMWOAOXWNXFD-LJQANCHMSA-N 1 1 292.382 3.643 20 30 CHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595429727 1127462132 /nfs/dbraw/zinc/46/21/32/1127462132.db2.gz JGSUDQXNIADBGT-DOMZBBRYSA-N 1 1 296.336 3.764 20 30 CHEDMO CCCOc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623525 1127468503 /nfs/dbraw/zinc/46/85/03/1127468503.db2.gz SGJXAFNGWXTUSN-HNNXBMFYSA-N 1 1 272.392 3.601 20 30 CHEDMO CSc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623952 1127468520 /nfs/dbraw/zinc/46/85/20/1127468520.db2.gz ZMOZVGPRUKICHU-CYBMUJFWSA-N 1 1 260.406 3.534 20 30 CHEDMO CO[C@@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000595550739 1127466976 /nfs/dbraw/zinc/46/69/76/1127466976.db2.gz SWUZJKQOTMQORR-KDOFPFPSSA-N 1 1 286.419 3.756 20 30 CHEDMO CO[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000595550740 1127467122 /nfs/dbraw/zinc/46/71/22/1127467122.db2.gz SWUZJKQOTMQORR-KSSFIOAISA-N 1 1 286.419 3.756 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000359552282 1127467358 /nfs/dbraw/zinc/46/73/58/1127467358.db2.gz GAKFYKHYGAZWGG-DYVFJYSZSA-N 1 1 272.367 3.709 20 30 CHEDMO CC(C)c1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595617278 1127467665 /nfs/dbraw/zinc/46/76/65/1127467665.db2.gz RCJTZDKUXDXTNR-HNNXBMFYSA-N 1 1 256.393 3.936 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000359565473 1127467916 /nfs/dbraw/zinc/46/79/16/1127467916.db2.gz UWQFGOYFVDUHLL-CXAGYDPISA-N 1 1 272.367 3.709 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566494 1127468008 /nfs/dbraw/zinc/46/80/08/1127468008.db2.gz VUGVEGVROMALRA-CXAGYDPISA-N 1 1 272.367 3.709 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000595623545 1127468640 /nfs/dbraw/zinc/46/86/40/1127468640.db2.gz SYJIVEMQJGDNPO-CYBMUJFWSA-N 1 1 299.349 3.606 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000595623546 1127468648 /nfs/dbraw/zinc/46/86/48/1127468648.db2.gz SYJIVEMQJGDNPO-ZDUSSCGKSA-N 1 1 299.349 3.606 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595619451 1127468838 /nfs/dbraw/zinc/46/88/38/1127468838.db2.gz BGHHHJMHJXLUFM-OAHLLOKOSA-N 1 1 281.403 3.613 20 30 CHEDMO C[C@H](CC[N@H+]1CCC[C@H](CC#N)C1)OCc1ccccc1 ZINC000595623065 1127468934 /nfs/dbraw/zinc/46/89/34/1127468934.db2.gz GCZUAHUNSZLCJO-IAGOWNOFSA-N 1 1 286.419 3.607 20 30 CHEDMO CC1(C)C[C@H]([N@@H+](CCCCC#N)Cc2ccccc2)CO1 ZINC000595638771 1127469715 /nfs/dbraw/zinc/46/97/15/1127469715.db2.gz UZTRGZAFQJNFAE-KRWDZBQOSA-N 1 1 286.419 3.750 20 30 CHEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000595593685 1127469739 /nfs/dbraw/zinc/46/97/39/1127469739.db2.gz SOWLUFUWRIWRAN-LLVKDONJSA-N 1 1 282.334 3.780 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccsc1)Cc1ccnc(C#N)c1 ZINC000595603575 1127470150 /nfs/dbraw/zinc/47/01/50/1127470150.db2.gz YUZYXBAYEHQFDT-UHFFFAOYSA-N 1 1 285.416 3.815 20 30 CHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613332 1127470266 /nfs/dbraw/zinc/47/02/66/1127470266.db2.gz BDKYRWMVWVFNPP-NEPJUHHUSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613332 1127470268 /nfs/dbraw/zinc/47/02/68/1127470268.db2.gz BDKYRWMVWVFNPP-NEPJUHHUSA-N 1 1 264.319 3.651 20 30 CHEDMO N#Cc1cccc(C[NH+]2CCC(c3ccco3)CC2)c1F ZINC000595613647 1127470497 /nfs/dbraw/zinc/47/04/97/1127470497.db2.gz CKTDYQFROJUYQR-UHFFFAOYSA-N 1 1 284.334 3.670 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595704873 1127472522 /nfs/dbraw/zinc/47/25/22/1127472522.db2.gz RIVJSWVPEYQRTL-SFHVURJKSA-N 1 1 280.346 3.839 20 30 CHEDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000595758812 1127474261 /nfs/dbraw/zinc/47/42/61/1127474261.db2.gz HIWCZSIOBJFZHI-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1ccc2c(c1)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000595760738 1127474322 /nfs/dbraw/zinc/47/43/22/1127474322.db2.gz XCLHETJEOVBUJO-UHFFFAOYSA-N 1 1 286.419 3.773 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595757083 1127475636 /nfs/dbraw/zinc/47/56/36/1127475636.db2.gz ZAKIHCMCDACIOP-DZGCQCFKSA-N 1 1 260.356 3.691 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784879 1127476448 /nfs/dbraw/zinc/47/64/48/1127476448.db2.gz CEELIBHWNWTDEU-SJORKVTESA-N 1 1 292.467 3.988 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595787025 1127477138 /nfs/dbraw/zinc/47/71/38/1127477138.db2.gz FMHAKGWJHPPQAE-HZPDHXFCSA-N 1 1 278.440 3.597 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(C#N)cc1 ZINC000595845504 1127477871 /nfs/dbraw/zinc/47/78/71/1127477871.db2.gz PBFRWDJUOMGOQC-XYPHTWIQSA-N 1 1 252.361 3.802 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000595881906 1127478652 /nfs/dbraw/zinc/47/86/52/1127478652.db2.gz XNVOIIFNPHTOPZ-OIISXLGYSA-N 1 1 260.425 3.971 20 30 CHEDMO N#CC1(CCC[N@H+]2CCC[C@@H](C3CCC3)C2)CCOCC1 ZINC000595831483 1127478959 /nfs/dbraw/zinc/47/89/59/1127478959.db2.gz CSULQKVGDUNAFF-QGZVFWFLSA-N 1 1 290.451 3.599 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595910390 1127479753 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CC[C@H]1CN(CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000545395530 1128012980 /nfs/dbraw/zinc/01/29/80/1128012980.db2.gz MBAGWPLBNVWOCL-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO CC[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000545395530 1128012985 /nfs/dbraw/zinc/01/29/85/1128012985.db2.gz MBAGWPLBNVWOCL-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO CC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000545395530 1128012988 /nfs/dbraw/zinc/01/29/88/1128012988.db2.gz MBAGWPLBNVWOCL-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CC1(C)C ZINC000545417874 1128014189 /nfs/dbraw/zinc/01/41/89/1128014189.db2.gz BLTPMYDKQJJTPA-CQSZACIVSA-N 1 1 256.393 3.621 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCc2ccc(Cl)cc21 ZINC000541271164 1128015730 /nfs/dbraw/zinc/01/57/30/1128015730.db2.gz JZVHAMPQJPXXSP-IAQYHMDHSA-N 1 1 262.784 3.809 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCc2ccc(Cl)cc21 ZINC000541271164 1128015735 /nfs/dbraw/zinc/01/57/35/1128015735.db2.gz 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C[C@@H](CCC#N)C[N@H+]1CCc2ccccc2C1(C)C ZINC000895017537 1123100922 /nfs/dbraw/zinc/10/09/22/1123100922.db2.gz YGAWYDMWQQHKRP-AWEZNQCLSA-N 1 1 256.393 3.720 20 30 CHEDMO C[C@H]1CC[C@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000328641687 1123107993 /nfs/dbraw/zinc/10/79/93/1123107993.db2.gz DHRRWLWJBPGPNR-STQMWFEESA-N 1 1 284.363 3.682 20 30 CHEDMO C[C@@H]1CC[C@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000328641685 1123108002 /nfs/dbraw/zinc/10/80/02/1123108002.db2.gz DHRRWLWJBPGPNR-OLZOCXBDSA-N 1 1 284.363 3.682 20 30 CHEDMO Cc1noc(C2CC2)c1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000328802231 1123111604 /nfs/dbraw/zinc/11/16/04/1123111604.db2.gz ZVADXLOTPUTTPH-NSHDSACASA-N 1 1 291.395 3.713 20 30 CHEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000441449729 1123128128 /nfs/dbraw/zinc/12/81/28/1123128128.db2.gz OKSDCROYILQYKD-NVXWUHKLSA-N 1 1 259.393 3.723 20 30 CHEDMO C[C@@H](C#N)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000183822532 1129105729 /nfs/dbraw/zinc/10/57/29/1129105729.db2.gz FAWYASVRAPHGEQ-VIFPVBQESA-N 1 1 297.185 3.518 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001201762701 1123148167 /nfs/dbraw/zinc/14/81/67/1123148167.db2.gz RGGSXPOIQLKBAB-AWEZNQCLSA-N 1 1 284.444 3.556 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001201762440 1123148483 /nfs/dbraw/zinc/14/84/83/1123148483.db2.gz LEUVMHCBSBNRAA-MSOLQXFVSA-N 1 1 297.483 3.864 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001201804480 1123150391 /nfs/dbraw/zinc/15/03/91/1123150391.db2.gz LAFGKWCUBPYJKU-HZPDHXFCSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCCN1CCC([N@@H+](C)C2CC2)CC1 ZINC001201798069 1123150448 /nfs/dbraw/zinc/15/04/48/1123150448.db2.gz NORBQBHBTGEXPY-UHFFFAOYSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001201804398 1123150474 /nfs/dbraw/zinc/15/04/74/1123150474.db2.gz JIFDMNIAEWYMHH-INIZCTEOSA-N 1 1 253.430 3.849 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001201804552 1123150557 /nfs/dbraw/zinc/15/05/57/1123150557.db2.gz OWJMZUWDHSDKMG-HOTGVXAUSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001201798019 1123150591 /nfs/dbraw/zinc/15/05/91/1123150591.db2.gz LKSZRBDGAARZPY-UHFFFAOYSA-N 1 1 275.392 3.759 20 30 CHEDMO CCCCCCCC[N@H+]1CCn2cnc(COCC)c2C1 ZINC001201814671 1123151277 /nfs/dbraw/zinc/15/12/77/1123151277.db2.gz RLCVLEFOXLLOSJ-UHFFFAOYSA-N 1 1 293.455 3.596 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001201852684 1123152224 /nfs/dbraw/zinc/15/22/24/1123152224.db2.gz HCRSXJPHMVJKTQ-JKSUJKDBSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC2(COC2)C1 ZINC001201852949 1123152461 /nfs/dbraw/zinc/15/24/61/1123152461.db2.gz TYOIAOKWAFHNCH-UHFFFAOYSA-N 1 1 253.430 3.849 20 30 CHEDMO CCCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001201852698 1123152564 /nfs/dbraw/zinc/15/25/64/1123152564.db2.gz HLODBAOKYYYYJA-CVEARBPZSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001201825679 1123153033 /nfs/dbraw/zinc/15/30/33/1123153033.db2.gz CPDKMCMVQDKICF-HNNXBMFYSA-N 1 1 269.429 3.622 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190170899 1123153533 /nfs/dbraw/zinc/15/35/33/1123153533.db2.gz NKSGALJSZSRUFM-VIFPVBQESA-N 1 1 255.711 3.649 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190170899 1123153535 /nfs/dbraw/zinc/15/35/35/1123153535.db2.gz NKSGALJSZSRUFM-VIFPVBQESA-N 1 1 255.711 3.649 20 30 CHEDMO CCCCCCCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001201840164 1123154753 /nfs/dbraw/zinc/15/47/53/1123154753.db2.gz NSXWZXAYAONAHC-KRWDZBQOSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001201840164 1123154757 /nfs/dbraw/zinc/15/47/57/1123154757.db2.gz NSXWZXAYAONAHC-KRWDZBQOSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCC[N@@H+]1CCc2oc(C)nc2C1 ZINC001201839799 1123154949 /nfs/dbraw/zinc/15/49/49/1123154949.db2.gz JJWDPSRJAAPYFT-UHFFFAOYSA-N 1 1 250.386 3.702 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2oc(C)nc2C1 ZINC001201839799 1123154951 /nfs/dbraw/zinc/15/49/51/1123154951.db2.gz JJWDPSRJAAPYFT-UHFFFAOYSA-N 1 1 250.386 3.702 20 30 CHEDMO CCCCCCCC[N@@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001201840215 1123155394 /nfs/dbraw/zinc/15/53/94/1123155394.db2.gz PIHSDDVMPBJGIS-UHFFFAOYSA-N 1 1 298.471 3.900 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCc2ncncc2C1 ZINC001201874619 1123156875 /nfs/dbraw/zinc/15/68/75/1123156875.db2.gz APGGCPFULXEEGT-UHFFFAOYSA-N 1 1 275.440 3.975 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001202115384 1123176586 /nfs/dbraw/zinc/17/65/86/1123176586.db2.gz WRFYVGYKFKJGSX-QGZVFWFLSA-N 1 1 286.419 3.838 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000614600425 1123179971 /nfs/dbraw/zinc/17/99/71/1123179971.db2.gz IRNLJINEDLLKPU-RDJZCZTQSA-N 1 1 268.404 3.862 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000614600419 1123180245 /nfs/dbraw/zinc/18/02/45/1123180245.db2.gz IRNLJINEDLLKPU-DOTOQJQBSA-N 1 1 268.404 3.862 20 30 CHEDMO C[C@H]1CC[N@H+](CC2(C#N)CC2)[C@@H]1c1cccc(F)c1 ZINC000343313223 1123199927 /nfs/dbraw/zinc/19/99/27/1123199927.db2.gz GDVWQOLDVISLCF-WFASDCNBSA-N 1 1 258.340 3.512 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCO[C@H](CC)C1 ZINC000507804426 1123212577 /nfs/dbraw/zinc/21/25/77/1123212577.db2.gz NDCITQMKTNLBSJ-JKSUJKDBSA-N 1 1 253.430 3.870 20 30 CHEDMO C=CCC[C@H](NCc1ccc(C[NH3+])cc1)c1ccco1 ZINC000579593683 1123215503 /nfs/dbraw/zinc/21/55/03/1123215503.db2.gz DQEBOFIFQVXOKP-INIZCTEOSA-N 1 1 270.376 3.535 20 30 CHEDMO C=CCCC[N@H+](C)CCCC(=O)Nc1c(C)cccc1C ZINC000137534896 1123220828 /nfs/dbraw/zinc/22/08/28/1123220828.db2.gz FQWHREIDVSUABN-UHFFFAOYSA-N 1 1 288.435 3.920 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540925 1123221288 /nfs/dbraw/zinc/22/12/88/1123221288.db2.gz FDIGCDBXCHVSAU-QMTHXVAHSA-N 1 1 266.747 3.748 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@@H+](CCC)C1CCOCC1 ZINC001252134848 1123227464 /nfs/dbraw/zinc/22/74/64/1123227464.db2.gz ZKKGMPJCHFZZEB-GOSISDBHSA-N 1 1 299.499 3.989 20 30 CHEDMO CCC(CC)NN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779772873 1129108540 /nfs/dbraw/zinc/10/85/40/1129108540.db2.gz TVHVBWLYZBLGMU-QGZVFWFLSA-N 1 1 287.451 3.663 20 30 CHEDMO C[C@H](c1cccs1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156196347 1129110060 /nfs/dbraw/zinc/11/00/60/1129110060.db2.gz AOLPUPJHQQVFGI-CYBMUJFWSA-N 1 1 273.376 3.932 20 30 CHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428208307 1123280037 /nfs/dbraw/zinc/28/00/37/1123280037.db2.gz DBUJGXMABJCAOM-MRXNPFEDSA-N 1 1 260.356 3.708 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428211901 1123281550 /nfs/dbraw/zinc/28/15/50/1123281550.db2.gz MCCBXGGLXPLWLF-OAHLLOKOSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC000543901860 1123316551 /nfs/dbraw/zinc/31/65/51/1123316551.db2.gz IKHCNGUECZHWTP-JLSDUUJJSA-N 1 1 271.379 3.688 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC000359538229 1123364131 /nfs/dbraw/zinc/36/41/31/1123364131.db2.gz ARNJUBCZGXSRHL-CXAGYDPISA-N 1 1 272.367 3.709 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000851772600 1123379847 /nfs/dbraw/zinc/37/98/47/1123379847.db2.gz BQERCJSJYHXHQR-FQEVSTJZSA-N 1 1 290.410 3.590 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000852099841 1123397070 /nfs/dbraw/zinc/39/70/70/1123397070.db2.gz QLTBRZRYDPNSTN-MRXNPFEDSA-N 1 1 288.391 3.841 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000852102233 1123397544 /nfs/dbraw/zinc/39/75/44/1123397544.db2.gz XAZQWVFTTKFZFB-AWEZNQCLSA-N 1 1 296.292 3.738 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326854 1123403386 /nfs/dbraw/zinc/40/33/86/1123403386.db2.gz PORWXARMDRHGIM-LPHOPBHVSA-N 1 1 291.398 3.700 20 30 CHEDMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326854 1123403389 /nfs/dbraw/zinc/40/33/89/1123403389.db2.gz PORWXARMDRHGIM-LPHOPBHVSA-N 1 1 291.398 3.700 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331720 1123403601 /nfs/dbraw/zinc/40/36/01/1123403601.db2.gz BZIKUCHOWDVROW-GOSISDBHSA-N 1 1 283.419 3.685 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331720 1123403605 /nfs/dbraw/zinc/40/36/05/1123403605.db2.gz BZIKUCHOWDVROW-GOSISDBHSA-N 1 1 283.419 3.685 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000852410089 1123404791 /nfs/dbraw/zinc/40/47/91/1123404791.db2.gz HPYMTKGEXRXTTK-LBPRGKRZSA-N 1 1 284.325 3.889 20 30 CHEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000852554572 1123408962 /nfs/dbraw/zinc/40/89/62/1123408962.db2.gz RRNWDSRJUAPKRO-JTQLQIEISA-N 1 1 250.213 3.857 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(C)cc1O ZINC000853598433 1123443909 /nfs/dbraw/zinc/44/39/09/1123443909.db2.gz BCFIFRHKTJQEAW-IYBDPMFKSA-N 1 1 257.377 3.692 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1nc(C)sc1C ZINC000443617011 1123445369 /nfs/dbraw/zinc/44/53/69/1123445369.db2.gz URALHUUMRQWQSU-UHFFFAOYSA-N 1 1 252.427 3.938 20 30 CHEDMO C#CCCCCCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895582347 1123495249 /nfs/dbraw/zinc/49/52/49/1123495249.db2.gz RJEJZXHUPPYBHV-CQSZACIVSA-N 1 1 262.422 3.516 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2ccccn12 ZINC000157433628 1129127602 /nfs/dbraw/zinc/12/76/02/1129127602.db2.gz YZRMAXAGRZAVRA-UHFFFAOYSA-N 1 1 283.400 3.584 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2ccccn12 ZINC000157433628 1129127603 /nfs/dbraw/zinc/12/76/03/1129127603.db2.gz YZRMAXAGRZAVRA-UHFFFAOYSA-N 1 1 283.400 3.584 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1cc2cc(Cl)ccc2o1 ZINC000779808640 1129128198 /nfs/dbraw/zinc/12/81/98/1129128198.db2.gz FEGWJVXDIJONNK-UHFFFAOYSA-N 1 1 285.734 3.739 20 30 CHEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776852161 1123543740 /nfs/dbraw/zinc/54/37/40/1123543740.db2.gz PWJVFKDEJPXOMC-RCCFBDPRSA-N 1 1 253.389 3.668 20 30 CHEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000339001797 1123581430 /nfs/dbraw/zinc/58/14/30/1123581430.db2.gz RSNHWHAKZARHCL-HNNXBMFYSA-N 1 1 263.381 3.708 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(Cl)c1 ZINC000157647962 1129131519 /nfs/dbraw/zinc/13/15/19/1129131519.db2.gz LMRRTLXEKXYFLW-NEPJUHHUSA-N 1 1 250.773 3.883 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(Cl)c1 ZINC000157647962 1129131521 /nfs/dbraw/zinc/13/15/21/1129131521.db2.gz LMRRTLXEKXYFLW-NEPJUHHUSA-N 1 1 250.773 3.883 20 30 CHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857869070 1123622816 /nfs/dbraw/zinc/62/28/16/1123622816.db2.gz JHYIRMLDBQYDSA-DLBZAZTESA-N 1 1 281.403 3.564 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000858142287 1123634640 /nfs/dbraw/zinc/63/46/40/1123634640.db2.gz XRBILONUSTYTEK-UHFFFAOYSA-N 1 1 287.812 3.546 20 30 CHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428311719 1123647299 /nfs/dbraw/zinc/64/72/99/1123647299.db2.gz SSXHJNVJTVDNFM-CYBMUJFWSA-N 1 1 268.335 3.857 20 30 CHEDMO C=CC[C@H]([NH2+][C@@H](C)c1nc(C)cs1)c1ccncc1 ZINC000858365489 1123647915 /nfs/dbraw/zinc/64/79/15/1123647915.db2.gz OIWUFFYSTQISKT-JSGCOSHPSA-N 1 1 273.405 3.815 20 30 CHEDMO C=CC[C@@H]([NH2+][C@H](C)c1nc(C)cs1)c1ccncc1 ZINC000858365493 1123647989 /nfs/dbraw/zinc/64/79/89/1123647989.db2.gz OIWUFFYSTQISKT-TZMCWYRMSA-N 1 1 273.405 3.815 20 30 CHEDMO Cc1cccc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]1 ZINC000346241331 1123674726 /nfs/dbraw/zinc/67/47/26/1123674726.db2.gz QKRRDFCXMQIQSD-MRXNPFEDSA-N 1 1 263.344 3.751 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCCOc1ccccc1 ZINC000346269686 1123676865 /nfs/dbraw/zinc/67/68/65/1123676865.db2.gz LRFBLARXGBFSKR-UHFFFAOYSA-N 1 1 274.408 3.717 20 30 CHEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(CF)cc1)C2 ZINC000860108078 1123720588 /nfs/dbraw/zinc/72/05/88/1123720588.db2.gz RDJSQDKAYONBMU-UHFFFAOYSA-N 1 1 294.373 3.780 20 30 CHEDMO N#CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000346838265 1123726047 /nfs/dbraw/zinc/72/60/47/1123726047.db2.gz RJIOJVSCJWGGPS-GOSISDBHSA-N 1 1 291.354 3.811 20 30 CHEDMO C=CCCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000522775842 1123727422 /nfs/dbraw/zinc/72/74/22/1123727422.db2.gz BXCRMPFCRRBCNX-UHFFFAOYSA-N 1 1 253.773 3.617 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000862444624 1123810577 /nfs/dbraw/zinc/81/05/77/1123810577.db2.gz DJOWHKJIAYFRNW-SECBINFHSA-N 1 1 274.216 3.900 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000862444624 1123810583 /nfs/dbraw/zinc/81/05/83/1123810583.db2.gz DJOWHKJIAYFRNW-SECBINFHSA-N 1 1 274.216 3.900 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001118945001 1131243793 /nfs/dbraw/zinc/24/37/93/1131243793.db2.gz WLLVMDCHWOVHJO-HNNXBMFYSA-N 1 1 267.376 3.617 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001118945001 1131243797 /nfs/dbraw/zinc/24/37/97/1131243797.db2.gz WLLVMDCHWOVHJO-HNNXBMFYSA-N 1 1 267.376 3.617 20 30 CHEDMO C=CCOCC[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000339026615 1123778905 /nfs/dbraw/zinc/77/89/05/1123778905.db2.gz DJKINCIYQUKUMX-UHFFFAOYSA-N 1 1 285.387 3.793 20 30 CHEDMO C=C(C)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475024 1123786658 /nfs/dbraw/zinc/78/66/58/1123786658.db2.gz REKDNOQJVSTUPJ-UHFFFAOYSA-N 1 1 269.392 3.517 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(OC2CC2)c1)C(C)C ZINC000862222899 1123792917 /nfs/dbraw/zinc/79/29/17/1123792917.db2.gz CGPBNOIYANIHBB-UHFFFAOYSA-N 1 1 275.392 3.633 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccnc(F)c1C ZINC000862246144 1123794036 /nfs/dbraw/zinc/79/40/36/1123794036.db2.gz AQRFXTCZPVKVRD-UHFFFAOYSA-N 1 1 250.361 3.707 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000862444701 1123811080 /nfs/dbraw/zinc/81/10/80/1123811080.db2.gz FQAYUMAKRZMJSD-HNNXBMFYSA-N 1 1 294.373 3.733 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000862444522 1123811966 /nfs/dbraw/zinc/81/19/66/1123811966.db2.gz BJRRPWDWLJTWSL-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000186205385 1123813279 /nfs/dbraw/zinc/81/32/79/1123813279.db2.gz ADDRRKUTOMTSIJ-UHFFFAOYSA-N 1 1 294.398 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C=C(C)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445890397 1124106442 /nfs/dbraw/zinc/10/64/42/1124106442.db2.gz MZIYPRJWJLAMKC-ZDUSSCGKSA-N 1 1 296.208 3.781 20 30 CHEDMO C=CC[N@H+](Cc1cnn(CC(F)F)c1)CC1CCCCC1 ZINC000508551769 1124108070 /nfs/dbraw/zinc/10/80/70/1124108070.db2.gz LUVDRZHIWLRLBY-UHFFFAOYSA-N 1 1 297.393 3.717 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428439882 1124113365 /nfs/dbraw/zinc/11/33/65/1124113365.db2.gz DACZAXHZNAWEOX-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1 ZINC000428445629 1124114894 /nfs/dbraw/zinc/11/48/94/1124114894.db2.gz HAUKSQQYJNHODJ-OCCSQVGLSA-N 1 1 260.356 3.708 20 30 CHEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCCc2ccccc21 ZINC000525308432 1124121930 /nfs/dbraw/zinc/12/19/30/1124121930.db2.gz OKQKFQGESUDSLQ-MRXNPFEDSA-N 1 1 274.433 3.643 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@@H]2CCCC[C@H]12 ZINC000525308583 1124121967 /nfs/dbraw/zinc/12/19/67/1124121967.db2.gz VTIWOGQBSDYBMH-RBSFLKMASA-N 1 1 266.454 3.534 20 30 CHEDMO C=CCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000525328460 1124122390 /nfs/dbraw/zinc/12/23/90/1124122390.db2.gz ZKTFBDWAMRPORN-UHFFFAOYSA-N 1 1 288.218 3.754 20 30 CHEDMO C=CCC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012185 1129170405 /nfs/dbraw/zinc/17/04/05/1129170405.db2.gz RUEWUZVTYNCFTE-CABCVRRESA-N 1 1 276.424 3.655 20 30 CHEDMO Cc1csc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)n1 ZINC000184199540 1129176825 /nfs/dbraw/zinc/17/68/25/1129176825.db2.gz RWWHPTAVYYEEQO-GFCCVEGCSA-N 1 1 290.819 3.807 20 30 CHEDMO CCc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)ccc1C#N ZINC001238777755 1131244217 /nfs/dbraw/zinc/24/42/17/1131244217.db2.gz HQSOVTWMWYXHIJ-KBPBESRZSA-N 1 1 256.393 3.741 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@H]2C(C)(C)OC)ccc1C#N ZINC001238778591 1131245142 /nfs/dbraw/zinc/24/51/42/1131245142.db2.gz PCYRJBFEEIKQQK-KRWDZBQOSA-N 1 1 286.419 3.510 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001119295366 1131250204 /nfs/dbraw/zinc/25/02/04/1131250204.db2.gz BTZRFKDUIPBOTQ-LBPRGKRZSA-N 1 1 262.784 3.638 20 30 CHEDMO CC(C)[N@@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC001119306520 1131251677 /nfs/dbraw/zinc/25/16/77/1131251677.db2.gz YXJHMNVHVQUJPM-UHFFFAOYSA-N 1 1 268.360 3.604 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001119691256 1131261402 /nfs/dbraw/zinc/26/14/02/1131261402.db2.gz HKXYWHMMDFQEPQ-ZDUSSCGKSA-N 1 1 282.309 3.559 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447349955 1124466767 /nfs/dbraw/zinc/46/67/67/1124466767.db2.gz YNFVJBPEHKHIQH-SNVBAGLBSA-N 1 1 271.191 3.627 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447349955 1124466769 /nfs/dbraw/zinc/46/67/69/1124466769.db2.gz YNFVJBPEHKHIQH-SNVBAGLBSA-N 1 1 271.191 3.627 20 30 CHEDMO C[N@@H+](CCCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000525865000 1124473338 /nfs/dbraw/zinc/47/33/38/1124473338.db2.gz CGUBJLAAVQFYKY-UHFFFAOYSA-N 1 1 294.398 3.849 20 30 CHEDMO CC[C@@H](NC[C@@H](CC(C)C)[NH+](C)C)c1ccc(C#N)cc1 ZINC000447539356 1124485472 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ZINC000116326665 1124582370 /nfs/dbraw/zinc/58/23/70/1124582370.db2.gz BDSKEGLNAOYKOS-CQSZACIVSA-N 1 1 280.824 3.734 20 30 CHEDMO Cc1[nH+]ccn1CCCCSc1c(C)cccc1C#N ZINC000871690696 1124626976 /nfs/dbraw/zinc/62/69/76/1124626976.db2.gz CJFNNTIHNQIBII-UHFFFAOYSA-N 1 1 285.416 3.944 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1F ZINC000449012523 1124629563 /nfs/dbraw/zinc/62/95/63/1124629563.db2.gz DGONJFTYOKFNAD-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1F ZINC000449012523 1124629567 /nfs/dbraw/zinc/62/95/67/1124629567.db2.gz DGONJFTYOKFNAD-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO C=CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123802159 1124642472 /nfs/dbraw/zinc/64/24/72/1124642472.db2.gz RXSAOVNXHLTBMK-IRXDYDNUSA-N 1 1 259.393 3.541 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872067659 1124673326 /nfs/dbraw/zinc/67/33/26/1124673326.db2.gz RJGGWDLUCXLMCH-BBATYDOGSA-N 1 1 296.345 3.741 20 30 CHEDMO 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293.414 3.613 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000530902528 1125185961 /nfs/dbraw/zinc/18/59/61/1125185961.db2.gz XFQNOVLQJAHSOO-HNNXBMFYSA-N 1 1 292.382 3.556 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000879749536 1125230024 /nfs/dbraw/zinc/23/00/24/1125230024.db2.gz KARQONYUZCOANZ-QGZVFWFLSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000879749536 1125230028 /nfs/dbraw/zinc/23/00/28/1125230028.db2.gz KARQONYUZCOANZ-QGZVFWFLSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000879750739 1125231357 /nfs/dbraw/zinc/23/13/57/1125231357.db2.gz ZADUEGIHNHWRMN-LJQANCHMSA-N 1 1 291.398 3.907 20 30 CHEDMO Cc1c(Cl)ccc2c1C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000879769904 1125233103 /nfs/dbraw/zinc/23/31/03/1125233103.db2.gz XGBKAWVCPYKVPG-GXTWGEPZSA-N 1 1 274.795 3.699 20 30 CHEDMO Cc1csc([C@@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000880012129 1125245271 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294.483 3.824 20 30 CHEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000645262137 1129493344 /nfs/dbraw/zinc/49/33/44/1129493344.db2.gz HKGWGWROOBTMOK-LLVKDONJSA-N 1 1 271.282 3.601 20 30 CHEDMO CC(C)[C@H](C#N)c1ccc(C2=CC[N@@H+](C)CC2)cc1 ZINC001241327481 1129516364 /nfs/dbraw/zinc/51/63/64/1129516364.db2.gz NBGMPSIQOVQWNU-KRWDZBQOSA-N 1 1 254.377 3.669 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC(C)(C)C2)c1O ZINC000743391392 1129521969 /nfs/dbraw/zinc/52/19/69/1129521969.db2.gz SUBLWGXIXSWONV-UHFFFAOYSA-N 1 1 289.419 3.751 20 30 CHEDMO CCCCCC[C@H](C)NN=C1CC[N@@H+](CC)C[C@@H]1C ZINC000743450190 1129524572 /nfs/dbraw/zinc/52/45/72/1129524572.db2.gz HGUKKBNHZJDWHV-GJZGRUSLSA-N 1 1 267.461 3.653 20 30 CHEDMO C=C(Cl)C[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000743863689 1129543001 /nfs/dbraw/zinc/54/30/01/1129543001.db2.gz VGQBMDSNAFSINS-QGZVFWFLSA-N 1 1 293.838 3.771 20 30 CHEDMO C=C(Cl)C[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000743863689 1129543005 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HOAVBKNDDKPVCL-GJZGRUSLSA-N 1 1 261.409 3.770 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC001168885250 1129681914 /nfs/dbraw/zinc/68/19/14/1129681914.db2.gz JOFXSXSNEFULGZ-GJZGRUSLSA-N 1 1 255.446 3.686 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916836 1129686982 /nfs/dbraw/zinc/68/69/82/1129686982.db2.gz POAZLPWTXSLYOL-BZSNNMDCSA-N 1 1 271.404 3.947 20 30 CHEDMO Cc1ccc(N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000254449738 1129695516 /nfs/dbraw/zinc/69/55/16/1129695516.db2.gz GVNNFXLGWOYKHF-UHFFFAOYSA-N 1 1 253.349 3.507 20 30 CHEDMO CCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169097530 1129696956 /nfs/dbraw/zinc/69/69/56/1129696956.db2.gz BAJDFUOOEZHMBR-MUJYYYPQSA-N 1 1 252.446 3.562 20 30 CHEDMO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC001169243230 1129712471 /nfs/dbraw/zinc/71/24/71/1129712471.db2.gz LPLPPSODXLMYPW-SNVBAGLBSA-N 1 1 286.188 3.985 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000828678201 1131396176 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ZINC001169951275 1129767343 /nfs/dbraw/zinc/76/73/43/1129767343.db2.gz BRZWMTCTNXNURN-UHFFFAOYSA-N 1 1 269.348 3.556 20 30 CHEDMO C#CCCC[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000766895551 1129768971 /nfs/dbraw/zinc/76/89/71/1129768971.db2.gz LUOMRYFLLRBIEF-UHFFFAOYSA-N 1 1 259.393 3.567 20 30 CHEDMO C#CCCC[N@H+](C)Cc1c2ccccc2oc1CC ZINC000766896358 1129769231 /nfs/dbraw/zinc/76/92/31/1129769231.db2.gz MOSJQBNGPRVLKJ-UHFFFAOYSA-N 1 1 255.361 3.840 20 30 CHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000766907255 1129770849 /nfs/dbraw/zinc/77/08/49/1129770849.db2.gz XGOCQMFAMLYPLF-SFHVURJKSA-N 1 1 299.439 3.697 20 30 CHEDMO CC#CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767880979 1129818141 /nfs/dbraw/zinc/81/81/41/1129818141.db2.gz DTOBTPLCKSQUSL-CYBMUJFWSA-N 1 1 267.294 3.518 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000768159366 1129836320 /nfs/dbraw/zinc/83/63/20/1129836320.db2.gz CAJDLPCYVSGJHL-UHFFFAOYSA-N 1 1 285.412 3.782 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001139029833 1129839193 /nfs/dbraw/zinc/83/91/93/1129839193.db2.gz QVZKZEUNYCUTMG-LSDHHAIUSA-N 1 1 259.393 3.872 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(C)c1 ZINC000768203499 1129839198 /nfs/dbraw/zinc/83/91/98/1129839198.db2.gz IIPMDOKNFZUUSS-UHFFFAOYSA-N 1 1 270.401 3.869 20 30 CHEDMO C#CC[C@@H]([NH2+]C/C(Cl)=C\Cl)c1ccccc1 ZINC000381540126 1129841437 /nfs/dbraw/zinc/84/14/37/1129841437.db2.gz HIKMGCOUFMOMBX-CNELAYHGSA-N 1 1 254.160 3.660 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)CCC(C)C)cc1 ZINC000768263003 1129848359 /nfs/dbraw/zinc/84/83/59/1129848359.db2.gz NPJCKLGXPHNSLT-UHFFFAOYSA-N 1 1 259.393 3.567 20 30 CHEDMO CCCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000768290911 1129849827 /nfs/dbraw/zinc/84/98/27/1129849827.db2.gz KJJKKPQJKAJXQW-UHFFFAOYSA-N 1 1 285.435 3.801 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768337092 1129850971 /nfs/dbraw/zinc/85/09/71/1129850971.db2.gz ALVSCVJYRZNBCJ-UONOGXRCSA-N 1 1 260.381 3.598 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000900004945 1129856468 /nfs/dbraw/zinc/85/64/68/1129856468.db2.gz UINOGLKTCGHWIM-CYBMUJFWSA-N 1 1 263.385 3.864 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000768551037 1129862543 /nfs/dbraw/zinc/86/25/43/1129862543.db2.gz PUOJHFXSABEGKT-UHFFFAOYSA-N 1 1 267.372 3.889 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(C#N)c1 ZINC001137697914 1131403083 /nfs/dbraw/zinc/40/30/83/1131403083.db2.gz BDVVMNHJXVLGFN-QGZVFWFLSA-N 1 1 292.382 3.556 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCSC1CCCCC1 ZINC000800345739 1129867223 /nfs/dbraw/zinc/86/72/23/1129867223.db2.gz FEJGTMBTHAISBP-UHFFFAOYSA-N 1 1 268.470 3.924 20 30 CHEDMO CC1(C)CC([N@@H+](CCC#N)C2CCCC2)CC(C)(C)N1O ZINC001170003126 1129897661 /nfs/dbraw/zinc/89/76/61/1129897661.db2.gz ZHSZBKANDIKIRA-UHFFFAOYSA-N 1 1 293.455 3.555 20 30 CHEDMO COc1cccc(N[NH+]=C(C)c2ccccc2N(C)C)c1 ZINC000769570863 1129917940 /nfs/dbraw/zinc/91/79/40/1129917940.db2.gz XJHSVBWZIYIFPX-UHFFFAOYSA-N 1 1 283.375 3.597 20 30 CHEDMO C=CC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769647691 1129920345 /nfs/dbraw/zinc/92/03/45/1129920345.db2.gz QGKPHPDKOKKQNX-UHFFFAOYSA-N 1 1 275.783 3.545 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801581561 1129929075 /nfs/dbraw/zinc/92/90/75/1129929075.db2.gz HSBBIZTUNYMXMX-LJQANCHMSA-N 1 1 287.447 3.759 20 30 CHEDMO C#CCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589464 1129930447 /nfs/dbraw/zinc/93/04/47/1129930447.db2.gz PPUUYQHXFNRBKW-CQSZACIVSA-N 1 1 285.284 3.599 20 30 CHEDMO C#CCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589464 1129930449 /nfs/dbraw/zinc/93/04/49/1129930449.db2.gz PPUUYQHXFNRBKW-CQSZACIVSA-N 1 1 285.284 3.599 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C(C)(C)C)o2)CCCC1(C)C ZINC000769952988 1129931580 /nfs/dbraw/zinc/93/15/80/1129931580.db2.gz HMBFWAZVEOMONG-ZDUSSCGKSA-N 1 1 291.439 3.934 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000801917062 1129958527 /nfs/dbraw/zinc/95/85/27/1129958527.db2.gz OQOYZQOEEXSASN-INIZCTEOSA-N 1 1 294.398 3.714 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCO[C@@H](C)C#N ZINC000801924541 1129960175 /nfs/dbraw/zinc/96/01/75/1129960175.db2.gz WSMUXLJLOAOPSU-FUHWJXTLSA-N 1 1 288.435 3.567 20 30 CHEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)C1CCCCC1 ZINC000823105358 1131412894 /nfs/dbraw/zinc/41/28/94/1131412894.db2.gz BDQQKQKOHHMBHM-ZDUSSCGKSA-N 1 1 290.411 3.621 20 30 CHEDMO C[C@@H]([N@@H+](C)Cc1cc(Cl)ccc1OCC#N)C1(C)CC1 ZINC000752355461 1130004482 /nfs/dbraw/zinc/00/44/82/1130004482.db2.gz CPKFLJKEMQNISZ-GFCCVEGCSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)C1CC1 ZINC000772379961 1130020609 /nfs/dbraw/zinc/02/06/09/1130020609.db2.gz CRROBTKVXRAFPX-UHFFFAOYSA-N 1 1 283.371 3.506 20 30 CHEDMO Cc1cc(-c2cc(N)c(C(F)(F)F)c[nH+]2)ccc1C#N ZINC001242765427 1130027196 /nfs/dbraw/zinc/02/71/96/1130027196.db2.gz JSPQPPIFOLHIIO-UHFFFAOYSA-N 1 1 277.249 3.530 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1cc(C#N)ccn1 ZINC000902784191 1130057136 /nfs/dbraw/zinc/05/71/36/1130057136.db2.gz QAHFQNDOQYITTA-CJNGLKHVSA-N 1 1 293.370 3.518 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000785996551 1130072764 /nfs/dbraw/zinc/07/27/64/1130072764.db2.gz DRGRWOKASRHTOI-MRXNPFEDSA-N 1 1 297.398 3.950 20 30 CHEDMO C=CCC[N@@H+](C)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000786435408 1130093809 /nfs/dbraw/zinc/09/38/09/1130093809.db2.gz FOGHMWNKVYNRNW-UHFFFAOYSA-N 1 1 289.810 3.842 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000786435408 1130093815 /nfs/dbraw/zinc/09/38/15/1130093815.db2.gz FOGHMWNKVYNRNW-UHFFFAOYSA-N 1 1 289.810 3.842 20 30 CHEDMO CC[C@H](Nc1cc(CCOC)cc[nH+]1)c1cccc(C#N)c1 ZINC000902986484 1130096268 /nfs/dbraw/zinc/09/62/68/1130096268.db2.gz BGZOLTZAJQLXQL-KRWDZBQOSA-N 1 1 295.386 3.705 20 30 CHEDMO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)CCCO2 ZINC000903099916 1130110830 /nfs/dbraw/zinc/11/08/30/1130110830.db2.gz BVWJQUARYWCROT-HNNXBMFYSA-N 1 1 272.392 3.657 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000903099806 1130110944 /nfs/dbraw/zinc/11/09/44/1130110944.db2.gz ARQUPGXMMYPBOZ-GFCCVEGCSA-N 1 1 264.369 3.502 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000903100305 1130112331 /nfs/dbraw/zinc/11/23/31/1130112331.db2.gz NAQWNSJITJFJCW-ZDUSSCGKSA-N 1 1 278.783 3.693 20 30 CHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903101136 1130112025 /nfs/dbraw/zinc/11/20/25/1130112025.db2.gz AUHCDDVUMOSDSX-CYBMUJFWSA-N 1 1 290.794 3.772 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cc1O ZINC000903109219 1130114613 /nfs/dbraw/zinc/11/46/13/1130114613.db2.gz LERJLSOMQPIQIE-CQSZACIVSA-N 1 1 276.355 3.656 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000796691012 1130131711 /nfs/dbraw/zinc/13/17/11/1130131711.db2.gz CMARUTZBUSHNNI-CQSZACIVSA-N 1 1 265.401 3.875 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000787771700 1130163179 /nfs/dbraw/zinc/16/31/79/1130163179.db2.gz ULSQWJUIWZBOMO-SFHVURJKSA-N 1 1 291.394 3.666 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000787996989 1130167814 /nfs/dbraw/zinc/16/78/14/1130167814.db2.gz DOWSPHIUOJEEFU-UHFFFAOYSA-N 1 1 272.779 3.732 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cccc(Cl)c1OCC ZINC001462007836 1130179634 /nfs/dbraw/zinc/17/96/34/1130179634.db2.gz PVAYOFZIIBKYQU-UHFFFAOYSA-N 1 1 265.784 3.913 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)CC2CCC(C)(C)CC2)n1 ZINC000789329179 1130245093 /nfs/dbraw/zinc/24/50/93/1130245093.db2.gz KQZMWXVYRUJTQH-UHFFFAOYSA-N 1 1 287.451 3.555 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC001254654654 1130277100 /nfs/dbraw/zinc/27/71/00/1130277100.db2.gz XAVFLGMAGLMBCF-HOTGVXAUSA-N 1 1 256.393 3.979 20 30 CHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000677477908 1130312207 /nfs/dbraw/zinc/31/22/07/1130312207.db2.gz DFMUCGTZGNPMOJ-ZDUSSCGKSA-N 1 1 277.433 3.651 20 30 CHEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000678050126 1130345580 /nfs/dbraw/zinc/34/55/80/1130345580.db2.gz VXKDLQXNTJEZAX-SFHVURJKSA-N 1 1 269.388 3.599 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000678262313 1130383239 /nfs/dbraw/zinc/38/32/39/1130383239.db2.gz LYVCKYNELROOCU-MRXNPFEDSA-N 1 1 283.371 3.834 20 30 CHEDMO CCCCCCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001137330485 1130393980 /nfs/dbraw/zinc/39/39/80/1130393980.db2.gz PUAIXLFRUXFUAF-INIZCTEOSA-N 1 1 282.472 3.728 20 30 CHEDMO C=CCC1(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000791800547 1130403491 /nfs/dbraw/zinc/40/34/91/1130403491.db2.gz SQCDMMDDGNVDEB-QGZVFWFLSA-N 1 1 299.414 3.551 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCOC1 ZINC000678349959 1130405640 /nfs/dbraw/zinc/40/56/40/1130405640.db2.gz QVFFQPSTDLVQIQ-LLVKDONJSA-N 1 1 271.813 3.569 20 30 CHEDMO C=C(CC)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678624669 1130443018 /nfs/dbraw/zinc/44/30/18/1130443018.db2.gz JYKNKLOPTPZKHL-DTORHVGOSA-N 1 1 275.236 3.625 20 30 CHEDMO CCCCCCCCCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000792378789 1130446594 /nfs/dbraw/zinc/44/65/94/1130446594.db2.gz WZZBKMGGRVLIKV-HNNXBMFYSA-N 1 1 278.444 3.795 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000792378789 1130446596 /nfs/dbraw/zinc/44/65/96/1130446596.db2.gz WZZBKMGGRVLIKV-HNNXBMFYSA-N 1 1 278.444 3.795 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000678715145 1130446834 /nfs/dbraw/zinc/44/68/34/1130446834.db2.gz CUOUVUYUFCLRFE-GDBMZVCRSA-N 1 1 273.424 3.709 20 30 CHEDMO CCCCCCC[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000792400854 1130447307 /nfs/dbraw/zinc/44/73/07/1130447307.db2.gz USUUQMXZVTZGRR-UHFFFAOYSA-N 1 1 278.444 3.517 20 30 CHEDMO CCCCCCC[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000792400854 1130447311 /nfs/dbraw/zinc/44/73/11/1130447311.db2.gz USUUQMXZVTZGRR-UHFFFAOYSA-N 1 1 278.444 3.517 20 30 CHEDMO C#CCCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792431987 1130447788 /nfs/dbraw/zinc/44/77/88/1130447788.db2.gz MWRMADPBGKAKLP-UHFFFAOYSA-N 1 1 269.310 3.854 20 30 CHEDMO CCCCCCCC[N@H+]1CCOc2cc(O)ccc2C1 ZINC001170173207 1130458737 /nfs/dbraw/zinc/45/87/37/1130458737.db2.gz QCUHRIGAJYMHIZ-UHFFFAOYSA-N 1 1 277.408 3.947 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001255157998 1130506809 /nfs/dbraw/zinc/50/68/09/1130506809.db2.gz BNPKKDLKWGJWSX-AWEZNQCLSA-N 1 1 260.381 3.646 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC001255165218 1130534550 /nfs/dbraw/zinc/53/45/50/1130534550.db2.gz VUKCRMJRVZTRJM-ZBFHGGJFSA-N 1 1 274.408 3.640 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC001255165214 1130534810 /nfs/dbraw/zinc/53/48/10/1130534810.db2.gz VUKCRMJRVZTRJM-HOCLYGCPSA-N 1 1 274.408 3.640 20 30 CHEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001255175939 1130550074 /nfs/dbraw/zinc/55/00/74/1130550074.db2.gz TZKVRYICECSUGD-DLBZAZTESA-N 1 1 256.393 3.948 20 30 CHEDMO CC[C@H](CC#N)[N@H+](CC)Cc1ccc(Br)cc1 ZINC001255175669 1130553301 /nfs/dbraw/zinc/55/33/01/1130553301.db2.gz SYOCUEQOVRICMC-CQSZACIVSA-N 1 1 295.224 3.963 20 30 CHEDMO CC[C@H](CC#N)[N@@H+](CC)Cc1ccc(Br)cc1 ZINC001255175669 1130553305 /nfs/dbraw/zinc/55/33/05/1130553305.db2.gz SYOCUEQOVRICMC-CQSZACIVSA-N 1 1 295.224 3.963 20 30 CHEDMO CC[C@H](CC#N)[NH+]1CCC(Sc2ccccc2)CC1 ZINC001255176208 1130557370 /nfs/dbraw/zinc/55/73/70/1130557370.db2.gz YGHZFPAEQOSYHV-CQSZACIVSA-N 1 1 274.433 3.935 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000793498031 1130564835 /nfs/dbraw/zinc/56/48/35/1130564835.db2.gz NYPQHDPGGYTRED-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000793498031 1130564838 /nfs/dbraw/zinc/56/48/38/1130564838.db2.gz NYPQHDPGGYTRED-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H](CC(C)(C)S)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234422611 1130642371 /nfs/dbraw/zinc/64/23/71/1130642371.db2.gz IRJBTNBWNSURPM-GFCCVEGCSA-N 1 1 279.449 3.540 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001234441218 1130644919 /nfs/dbraw/zinc/64/49/19/1130644919.db2.gz LHEYTLMOFVEFBU-NSHDSACASA-N 1 1 299.748 3.787 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001234441218 1130644925 /nfs/dbraw/zinc/64/49/25/1130644925.db2.gz LHEYTLMOFVEFBU-NSHDSACASA-N 1 1 299.748 3.787 20 30 CHEDMO CC#CC[C@@H](CC)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588691 1130659551 /nfs/dbraw/zinc/65/95/51/1130659551.db2.gz PYCISLHGTCXPRA-CQSZACIVSA-N 1 1 259.349 3.619 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000796638587 1130674199 /nfs/dbraw/zinc/67/41/99/1130674199.db2.gz BDUYTUCQHGRCOC-UHFFFAOYSA-N 1 1 294.354 3.539 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000796638587 1130674202 /nfs/dbraw/zinc/67/42/02/1130674202.db2.gz BDUYTUCQHGRCOC-UHFFFAOYSA-N 1 1 294.354 3.539 20 30 CHEDMO C#CC[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000796639483 1130674251 /nfs/dbraw/zinc/67/42/51/1130674251.db2.gz CJAUAGOXKWKORN-UHFFFAOYSA-N 1 1 268.404 3.842 20 30 CHEDMO C#CC[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000796640282 1130674532 /nfs/dbraw/zinc/67/45/32/1130674532.db2.gz PPOCPIUZQUKQBN-UHFFFAOYSA-N 1 1 295.357 3.534 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000796640615 1130675144 /nfs/dbraw/zinc/67/51/44/1130675144.db2.gz ZZNFOUAQTDKWJN-SFHVURJKSA-N 1 1 299.801 3.509 20 30 CHEDMO C[C@H]1CC(=NOC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000812235763 1130676027 /nfs/dbraw/zinc/67/60/27/1130676027.db2.gz QDFQMRLMUJGAGL-AWEZNQCLSA-N 1 1 272.392 3.596 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c(C(=O)OCC)c1 ZINC001234945190 1130695393 /nfs/dbraw/zinc/69/53/93/1130695393.db2.gz BIHYWFMTMYYGMP-UHFFFAOYSA-N 1 1 280.412 3.594 20 30 CHEDMO CCCCCCCCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000781183608 1130707663 /nfs/dbraw/zinc/70/76/63/1130707663.db2.gz JDLMWOQJVZKYJL-HNNXBMFYSA-N 1 1 280.456 3.504 20 30 CHEDMO CCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235090920 1130710869 /nfs/dbraw/zinc/71/08/69/1130710869.db2.gz UAGLQJFPPSALKZ-HNNXBMFYSA-N 1 1 288.426 3.668 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235090920 1130710872 /nfs/dbraw/zinc/71/08/72/1130710872.db2.gz UAGLQJFPPSALKZ-HNNXBMFYSA-N 1 1 288.426 3.668 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000812793677 1130717598 /nfs/dbraw/zinc/71/75/98/1130717598.db2.gz ZUUPESQQNNIVOH-KRWDZBQOSA-N 1 1 278.330 3.771 20 30 CHEDMO C=CCCCCCCCC[N@@H+](C)C1CCNCC1 ZINC001235472847 1130748370 /nfs/dbraw/zinc/74/83/70/1130748370.db2.gz KSPBLOPAQRFNDQ-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCCC[N@H+](C)C1CCNCC1 ZINC001235472847 1130748375 /nfs/dbraw/zinc/74/83/75/1130748375.db2.gz KSPBLOPAQRFNDQ-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1 ZINC000781930954 1130749922 /nfs/dbraw/zinc/74/99/22/1130749922.db2.gz ZXFBWMXQDICESZ-JTDSTZFVSA-N 1 1 298.430 3.990 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1CC#N ZINC001235523240 1130750553 /nfs/dbraw/zinc/75/05/53/1130750553.db2.gz 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268.335 3.714 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237519341 1131108881 /nfs/dbraw/zinc/10/88/81/1131108881.db2.gz RGCIARLHOZWGDB-QGZVFWFLSA-N 1 1 268.335 3.714 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546051 1131112132 /nfs/dbraw/zinc/11/21/32/1131112132.db2.gz ILBYKAKPYKRGFN-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237751733 1131137485 /nfs/dbraw/zinc/13/74/85/1131137485.db2.gz PFTAFGMFTVEZAF-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001237749807 1131137818 /nfs/dbraw/zinc/13/78/18/1131137818.db2.gz ZDGSTPOYFINFND-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001237749807 1131137822 /nfs/dbraw/zinc/13/78/22/1131137822.db2.gz ZDGSTPOYFINFND-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC001237750815 1131138181 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279.387 3.804 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139723261 1131632695 /nfs/dbraw/zinc/63/26/95/1131632695.db2.gz XYFSYKGKILZFAI-UHFFFAOYSA-N 1 1 276.383 3.733 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3o2)cc1C#N ZINC001139726127 1131632758 /nfs/dbraw/zinc/63/27/58/1131632758.db2.gz ULPOOCCDFWOYIJ-UHFFFAOYSA-N 1 1 291.354 3.640 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)cc1C#N ZINC001139726127 1131632761 /nfs/dbraw/zinc/63/27/61/1131632761.db2.gz ULPOOCCDFWOYIJ-UHFFFAOYSA-N 1 1 291.354 3.640 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc2ccccc2n1C ZINC001139872567 1131643324 /nfs/dbraw/zinc/64/33/24/1131643324.db2.gz QRIUACSZPHFGKP-UHFFFAOYSA-N 1 1 256.393 3.966 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001139885981 1131646485 /nfs/dbraw/zinc/64/64/85/1131646485.db2.gz ANFKAFBOGDPKGI-CYBMUJFWSA-N 1 1 281.321 3.859 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1c(O)cc(O)cc1O ZINC001144509565 1131649841 /nfs/dbraw/zinc/64/98/41/1131649841.db2.gz ZNHJUTARZLHIDH-UHFFFAOYSA-N 1 1 281.396 3.596 20 30 CHEDMO C=CC[N@H+](Cc1ccc2cnn(C)c2c1)C1CCCCC1 ZINC001139911099 1131650819 /nfs/dbraw/zinc/65/08/19/1131650819.db2.gz IJEGWAOTUIVXDF-UHFFFAOYSA-N 1 1 283.419 3.894 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(Br)s1)C(C)(C)C ZINC001139916285 1131651013 /nfs/dbraw/zinc/65/10/13/1131651013.db2.gz FEDIHZVOTHCTKD-UHFFFAOYSA-N 1 1 289.242 3.692 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC001144573357 1131660439 /nfs/dbraw/zinc/66/04/39/1131660439.db2.gz HEYPYKKZEYOBON-FQEVSTJZSA-N 1 1 291.394 3.711 20 30 CHEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1 ZINC001144573240 1131660837 /nfs/dbraw/zinc/66/08/37/1131660837.db2.gz FAXAXNMELGAYNV-UHFFFAOYSA-N 1 1 269.775 3.953 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1 ZINC001144573240 1131660839 /nfs/dbraw/zinc/66/08/39/1131660839.db2.gz FAXAXNMELGAYNV-UHFFFAOYSA-N 1 1 269.775 3.953 20 30 CHEDMO C#Cc1ccc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001144576531 1131662158 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Cc1ccc(C[N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140114252 1131665765 /nfs/dbraw/zinc/66/57/65/1131665765.db2.gz LQFDWYCLIBVTLI-UHFFFAOYSA-N 1 1 289.382 3.980 20 30 CHEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000845928033 1131671198 /nfs/dbraw/zinc/67/11/98/1131671198.db2.gz MECJULHVLVFLJA-GDBMZVCRSA-N 1 1 264.457 3.584 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001171203088 1131676016 /nfs/dbraw/zinc/67/60/16/1131676016.db2.gz IUIXFZGGTVVDHJ-WMLDXEAASA-N 1 1 274.383 3.703 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)c(C)cc1O ZINC001140200380 1131676173 /nfs/dbraw/zinc/67/61/73/1131676173.db2.gz YUEOPQSRLQARIT-UHFFFAOYSA-N 1 1 272.392 3.667 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]c2cccc(O)c12)C(C)(C)C ZINC001140236643 1131679896 /nfs/dbraw/zinc/67/98/96/1131679896.db2.gz KUPNHWHKPSZFKK-UHFFFAOYSA-N 1 1 258.365 3.660 20 30 CHEDMO N#CCC[N@@H+](Cc1ccncc1O)C1CCCCCCC1 ZINC001140278971 1131687323 /nfs/dbraw/zinc/68/73/23/1131687323.db2.gz YYCORBBWYBZHTJ-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO N#CCC[N@H+](Cc1ccncc1O)C1CCCCCCC1 ZINC001140278971 1131687326 /nfs/dbraw/zinc/68/73/26/1131687326.db2.gz YYCORBBWYBZHTJ-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccccc1-c1cccnc1 ZINC001140317133 1131695593 /nfs/dbraw/zinc/69/55/93/1131695593.db2.gz FLGNPTBQVZHTGV-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CCC#N)C1CCCC1 ZINC001171221285 1131706460 /nfs/dbraw/zinc/70/64/60/1131706460.db2.gz KAJDFOKMYFAFCY-HNNXBMFYSA-N 1 1 281.403 3.648 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(-c2cncnc2)cc1 ZINC001140356356 1131706481 /nfs/dbraw/zinc/70/64/81/1131706481.db2.gz HMROIHAYMIGRCW-UHFFFAOYSA-N 1 1 281.403 3.932 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001171222974 1131707032 /nfs/dbraw/zinc/70/70/32/1131707032.db2.gz KWIYLNSHTPSVHG-JLSDUUJJSA-N 1 1 268.404 3.754 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001171221997 1131707593 /nfs/dbraw/zinc/70/75/93/1131707593.db2.gz ZCJVTKNMUBDMOL-HNAYVOBHSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001171224360 1131708320 /nfs/dbraw/zinc/70/83/20/1131708320.db2.gz QRMXPTIDUIIJCA-RBSFLKMASA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccc(F)cc1 ZINC001171224209 1131708417 /nfs/dbraw/zinc/70/84/17/1131708417.db2.gz PVKCEEKEGBSAPU-HNNXBMFYSA-N 1 1 296.389 3.803 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000847018448 1131771846 /nfs/dbraw/zinc/77/18/46/1131771846.db2.gz JUMCCZPRGDKTSH-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC001146516681 1131790703 /nfs/dbraw/zinc/79/07/03/1131790703.db2.gz ICIKRHMFXRLYAK-IRXDYDNUSA-N 1 1 296.499 3.926 20 30 CHEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC001146516681 1131790708 /nfs/dbraw/zinc/79/07/08/1131790708.db2.gz ICIKRHMFXRLYAK-IRXDYDNUSA-N 1 1 296.499 3.926 20 30 CHEDMO Cc1ccc(F)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001140589727 1131814382 /nfs/dbraw/zinc/81/43/82/1131814382.db2.gz KYLUNLBYYSIGGE-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1ccc(F)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001140589727 1131814393 /nfs/dbraw/zinc/81/43/93/1131814393.db2.gz KYLUNLBYYSIGGE-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC001140599387 1131819437 /nfs/dbraw/zinc/81/94/37/1131819437.db2.gz AJYNSKZVNVAONJ-UHFFFAOYSA-N 1 1 284.737 3.833 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC001140599387 1131819446 /nfs/dbraw/zinc/81/94/46/1131819446.db2.gz AJYNSKZVNVAONJ-UHFFFAOYSA-N 1 1 284.737 3.833 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC001140601285 1131820971 /nfs/dbraw/zinc/82/09/71/1131820971.db2.gz LOXVCVDRDPNUOC-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001140600867 1131821333 /nfs/dbraw/zinc/82/13/33/1131821333.db2.gz YJRHJVQORRLARQ-BETUJISGSA-N 1 1 296.748 3.689 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140602828 1131823168 /nfs/dbraw/zinc/82/31/68/1131823168.db2.gz QTLAQKCOHFCXOI-AWEZNQCLSA-N 1 1 262.784 3.976 20 30 CHEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(C#N)ccc1Cl ZINC001140603982 1131825558 /nfs/dbraw/zinc/82/55/58/1131825558.db2.gz LVWRMCDUOMZLSG-UHFFFAOYSA-N 1 1 294.826 3.585 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@](F)(CN)C1 ZINC001246947365 1131827833 /nfs/dbraw/zinc/82/78/33/1131827833.db2.gz WXPWNODQDSFLAD-JKSUJKDBSA-N 1 1 272.452 3.888 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@](F)(CN)C1 ZINC001246947365 1131827836 /nfs/dbraw/zinc/82/78/36/1131827836.db2.gz WXPWNODQDSFLAD-JKSUJKDBSA-N 1 1 272.452 3.888 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246947625 1131829301 /nfs/dbraw/zinc/82/93/01/1131829301.db2.gz GHPDILLYJMHUOB-SJORKVTESA-N 1 1 278.484 3.974 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C(C)(C)C ZINC001140631113 1131833918 /nfs/dbraw/zinc/83/39/18/1131833918.db2.gz QWRAOSRNOPRHAX-UHFFFAOYSA-N 1 1 285.334 3.780 20 30 CHEDMO C=CCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1 ZINC001203057763 1131859514 /nfs/dbraw/zinc/85/95/14/1131859514.db2.gz GCCPSTLWULDCHZ-UHFFFAOYSA-N 1 1 283.419 3.615 20 30 CHEDMO C=CCC1(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000835602356 1131862828 /nfs/dbraw/zinc/86/28/28/1131862828.db2.gz SQEBVWMKRBQERN-MQVJKMGUSA-N 1 1 291.435 3.539 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000773005835 1131917428 /nfs/dbraw/zinc/91/74/28/1131917428.db2.gz UNJDJZCTLKOGKE-LBPRGKRZSA-N 1 1 293.716 3.735 20 30 CHEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc2[nH]ccc2c[nH+]1 ZINC001171368440 1131918322 /nfs/dbraw/zinc/91/83/22/1131918322.db2.gz FMKPOOHOTVXVIM-GFCCVEGCSA-N 1 1 294.358 3.647 20 30 CHEDMO CC(C)[N@@H+](CCCCCO)Cc1cccc(C#N)c1Cl ZINC001140814055 1131934832 /nfs/dbraw/zinc/93/48/32/1131934832.db2.gz BAXKFLNUTPIAOF-UHFFFAOYSA-N 1 1 294.826 3.585 20 30 CHEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001247621825 1131956322 /nfs/dbraw/zinc/95/63/22/1131956322.db2.gz AANJCNVGBVFBLE-VIFPVBQESA-N 1 1 299.708 3.634 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(N)c1 ZINC001140898981 1131961858 /nfs/dbraw/zinc/96/18/58/1131961858.db2.gz HEQZQADCJFFWIF-UHFFFAOYSA-N 1 1 296.414 3.856 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(N(C)C)cc1Cl ZINC001140926084 1131965923 /nfs/dbraw/zinc/96/59/23/1131965923.db2.gz YXRDZCZQWHSWND-UHFFFAOYSA-N 1 1 264.800 3.580 20 30 CHEDMO CC#CC[N@@H+](CC)CCc1ccc(C(F)(F)F)cc1 ZINC001171399831 1131966146 /nfs/dbraw/zinc/96/61/46/1131966146.db2.gz MXAQGEBJRCWWJX-UHFFFAOYSA-N 1 1 269.310 3.593 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc(F)c1 ZINC001171400553 1131969266 /nfs/dbraw/zinc/96/92/66/1131969266.db2.gz ZEXWZEMMUUKBDX-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cccc(-c2ncccn2)c1 ZINC001140978966 1131976898 /nfs/dbraw/zinc/97/68/98/1131976898.db2.gz BUARYAHDXQDKLS-UHFFFAOYSA-N 1 1 294.402 3.659 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc(-c2ncccn2)c1 ZINC001140978966 1131976904 /nfs/dbraw/zinc/97/69/04/1131976904.db2.gz BUARYAHDXQDKLS-UHFFFAOYSA-N 1 1 294.402 3.659 20 30 CHEDMO C=CCC(CC=C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228937024 1131982083 /nfs/dbraw/zinc/98/20/83/1131982083.db2.gz TVLWKBJZXSMNMH-UHFFFAOYSA-N 1 1 257.377 3.574 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c[nH]nc1C(F)(F)F ZINC001141014910 1131985552 /nfs/dbraw/zinc/98/55/52/1131985552.db2.gz HFNLAXZHZDZPBJ-UHFFFAOYSA-N 1 1 277.334 3.831 20 30 CHEDMO CCCCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836938436 1132016826 /nfs/dbraw/zinc/01/68/26/1132016826.db2.gz OJQSUKAYYADOLF-ALOPSCKCSA-N 1 1 294.483 3.869 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cc(O)ccc1O ZINC001141158968 1132031120 /nfs/dbraw/zinc/03/11/20/1132031120.db2.gz UCXCZMXXUXEIDY-UHFFFAOYSA-N 1 1 265.397 3.890 20 30 CHEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC001141166982 1132034263 /nfs/dbraw/zinc/03/42/63/1132034263.db2.gz TYMJVKDPRGGQMC-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC001141166982 1132034267 /nfs/dbraw/zinc/03/42/67/1132034267.db2.gz TYMJVKDPRGGQMC-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](CCCc2cccc(C)c2)C1 ZINC001171490452 1132038732 /nfs/dbraw/zinc/03/87/32/1132038732.db2.gz OQOQTYPJKNYHFS-SFHVURJKSA-N 1 1 255.405 3.663 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2OC)C1 ZINC001141203976 1132042815 /nfs/dbraw/zinc/04/28/15/1132042815.db2.gz ZXTWVMWGJAOIRI-GFCCVEGCSA-N 1 1 297.320 3.559 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2OC)C1 ZINC001141203976 1132042821 /nfs/dbraw/zinc/04/28/21/1132042821.db2.gz ZXTWVMWGJAOIRI-GFCCVEGCSA-N 1 1 297.320 3.559 20 30 CHEDMO C[C@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171620670 1132065005 /nfs/dbraw/zinc/06/50/05/1132065005.db2.gz CVNZZPWEXAWLDX-AWEZNQCLSA-N 1 1 299.462 3.860 20 30 CHEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)cc1 ZINC001141289635 1132071999 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C=CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)[C@H](C)COC ZINC001171915094 1132107863 /nfs/dbraw/zinc/10/78/63/1132107863.db2.gz ALEMLSRZDIMIKP-OAGGEKHMSA-N 1 1 253.430 3.726 20 30 CHEDMO C=CC[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H](C)COC ZINC001171917117 1132109321 /nfs/dbraw/zinc/10/93/21/1132109321.db2.gz UVHLTNPFUMBRBE-BPUTZDHNSA-N 1 1 295.373 3.558 20 30 CHEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171943716 1132115752 /nfs/dbraw/zinc/11/57/52/1132115752.db2.gz FHWWSGXWUGSTLV-UHFFFAOYSA-N 1 1 293.382 3.785 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCCC[C@@H]1C ZINC001172306385 1132153743 /nfs/dbraw/zinc/15/37/43/1132153743.db2.gz JYMZPNJXDLLPIY-GJZGRUSLSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001172305254 1132153921 /nfs/dbraw/zinc/15/39/21/1132153921.db2.gz COOQMDHGKXQUFQ-DNVCBOLYSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001172305236 1132154146 /nfs/dbraw/zinc/15/41/46/1132154146.db2.gz CLDHAEALGIAGBG-DNVCBOLYSA-N 1 1 291.398 3.721 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310851 1132154680 /nfs/dbraw/zinc/15/46/80/1132154680.db2.gz KDJPBHRRFLJSPE-YOEHRIQHSA-N 1 1 256.393 3.610 20 30 CHEDMO Cc1ccc2c(c1)CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172313511 1132154808 /nfs/dbraw/zinc/15/48/08/1132154808.db2.gz YDIBNVIQVCZKMS-MRXNPFEDSA-N 1 1 290.410 3.856 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001172313606 1132155131 /nfs/dbraw/zinc/15/51/31/1132155131.db2.gz DQSZECHXWKIVSX-JLSDUUJJSA-N 1 1 268.404 3.611 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC001172309365 1132155178 /nfs/dbraw/zinc/15/51/78/1132155178.db2.gz SPRFTCLSENUDTA-OAHLLOKOSA-N 1 1 276.383 3.548 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)CC1 ZINC001172315985 1132156045 /nfs/dbraw/zinc/15/60/45/1132156045.db2.gz QODUITHAOLZSGR-GJZGRUSLSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC001172315984 1132156237 /nfs/dbraw/zinc/15/62/37/1132156237.db2.gz QODUITHAOLZSGR-CABCVRRESA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001172316462 1132157653 /nfs/dbraw/zinc/15/76/53/1132157653.db2.gz SXEWUSVZABPCMW-CYBMUJFWSA-N 1 1 292.373 3.856 20 30 CHEDMO CC[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172321099 1132158378 /nfs/dbraw/zinc/15/83/78/1132158378.db2.gz YWBYCKIHUBGRBV-CABCVRRESA-N 1 1 256.393 3.611 20 30 CHEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172335457 1132173619 /nfs/dbraw/zinc/17/36/19/1132173619.db2.gz FDLCEWYKYBOBQK-CABCVRRESA-N 1 1 286.419 3.510 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127806 1132183316 /nfs/dbraw/zinc/18/33/16/1132183316.db2.gz YMGLXGKMZQHMNK-RDJZCZTQSA-N 1 1 284.403 3.532 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2ncncc2C1 ZINC001172354319 1132183807 /nfs/dbraw/zinc/18/38/07/1132183807.db2.gz GILGMVODQVVMFT-MRXNPFEDSA-N 1 1 275.440 3.974 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](O)CC1 ZINC001172355321 1132184816 /nfs/dbraw/zinc/18/48/16/1132184816.db2.gz AWYWTZKTYABJHO-JKSUJKDBSA-N 1 1 255.446 3.972 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001172357655 1132185238 /nfs/dbraw/zinc/18/52/38/1132185238.db2.gz LLFDMSZOGAYTFB-OWCLPIDISA-N 1 1 273.436 3.920 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2cnn(C)c2C1 ZINC001172357116 1132185404 /nfs/dbraw/zinc/18/54/04/1132185404.db2.gz BLQFMBBTXXAHGI-MRXNPFEDSA-N 1 1 277.456 3.917 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172356024 1132185874 /nfs/dbraw/zinc/18/58/74/1132185874.db2.gz FYSXICHPHUYTSR-WMZOPIPTSA-N 1 1 294.483 3.728 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000839184732 1132188470 /nfs/dbraw/zinc/18/84/70/1132188470.db2.gz NPJYFTVEARFFAS-WMZOPIPTSA-N 1 1 298.430 3.922 20 30 CHEDMO C=CC[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230515229 1132188977 /nfs/dbraw/zinc/18/89/77/1132188977.db2.gz HGLXAAIPSYUPCP-MRXNPFEDSA-N 1 1 279.343 3.841 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141585787 1132191904 /nfs/dbraw/zinc/19/19/04/1132191904.db2.gz DEKPIBGTQXFOFK-LBPRGKRZSA-N 1 1 272.779 3.667 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586009 1132192015 /nfs/dbraw/zinc/19/20/15/1132192015.db2.gz NNIJJYQZGXQBCL-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO C=CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000839466434 1132216973 /nfs/dbraw/zinc/21/69/73/1132216973.db2.gz AEUUEVRUBSMFJJ-HNNXBMFYSA-N 1 1 296.455 3.530 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C1CC1 ZINC000839534585 1132221720 /nfs/dbraw/zinc/22/17/20/1132221720.db2.gz CAJWMTSUXJXDGS-UHFFFAOYSA-N 1 1 283.293 3.582 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000839540434 1132222542 /nfs/dbraw/zinc/22/25/42/1132222542.db2.gz XWHVRKYMHHBFGB-GFCCVEGCSA-N 1 1 253.773 3.877 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000839648789 1132229813 /nfs/dbraw/zinc/22/98/13/1132229813.db2.gz BVQRESUPQKDQLS-OAHLLOKOSA-N 1 1 277.795 3.593 20 30 CHEDMO C=C(Cl)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000839648789 1132229821 /nfs/dbraw/zinc/22/98/21/1132229821.db2.gz BVQRESUPQKDQLS-OAHLLOKOSA-N 1 1 277.795 3.593 20 30 CHEDMO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1N ZINC001172504071 1132252947 /nfs/dbraw/zinc/25/29/47/1132252947.db2.gz CMEFGVVIDCUUDH-OWCLPIDISA-N 1 1 254.462 3.985 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001172491651 1132246851 /nfs/dbraw/zinc/24/68/51/1132246851.db2.gz GBBAZODMHYAHFL-GFCCVEGCSA-N 1 1 299.340 3.657 20 30 CHEDMO Cc1ccc([C@]2(C)C[N@@H+]([C@@H](C)CCCC#N)CCO2)cc1 ZINC001172499089 1132249296 /nfs/dbraw/zinc/24/92/96/1132249296.db2.gz AOBZWCRUGXBDKH-WMZOPIPTSA-N 1 1 286.419 3.625 20 30 CHEDMO Cc1ccc([C@@]2(C)C[N@@H+]([C@H](C)CCCC#N)CCO2)cc1 ZINC001172499087 1132250146 /nfs/dbraw/zinc/25/01/46/1132250146.db2.gz AOBZWCRUGXBDKH-SJLPKXTDSA-N 1 1 286.419 3.625 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001172499830 1132250202 /nfs/dbraw/zinc/25/02/02/1132250202.db2.gz GBTWKEOKZAUGEV-FUHWJXTLSA-N 1 1 286.419 3.750 20 30 CHEDMO CCCCCCC[C@H](CCC)[NH2+]Cc1noc(C)n1 ZINC001172500704 1132250446 /nfs/dbraw/zinc/25/04/46/1132250446.db2.gz CLAKHKAPITVBDW-AWEZNQCLSA-N 1 1 267.417 3.997 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001172503672 1132252436 /nfs/dbraw/zinc/25/24/36/1132252436.db2.gz BGTFKUGECYMXKE-TZMCWYRMSA-N 1 1 294.345 3.500 20 30 CHEDMO CCCCCCCC[C@@H](CC)[NH2+]Cc1noc(C)n1 ZINC001172506476 1132256353 /nfs/dbraw/zinc/25/63/53/1132256353.db2.gz UOHBECAQENFPFF-CQSZACIVSA-N 1 1 267.417 3.997 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+](C)CCC(=O)NC ZINC001172510554 1132257293 /nfs/dbraw/zinc/25/72/93/1132257293.db2.gz FLTAFZKUOSXAHJ-HNNXBMFYSA-N 1 1 270.461 3.584 20 30 CHEDMO COc1ccc(C2=CC[N@H+]([C@@H](C)CCCC#N)CC2)cc1 ZINC001172510338 1132257825 /nfs/dbraw/zinc/25/78/25/1132257825.db2.gz ZZJLGVYMJZAJFK-HNNXBMFYSA-N 1 1 284.403 3.867 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCn2c(C)nnc2C1 ZINC001172511516 1132259178 /nfs/dbraw/zinc/25/91/78/1132259178.db2.gz SDKDJMGEDVMCFL-INIZCTEOSA-N 1 1 292.471 3.931 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+]1CCn2c(C)nnc2C1 ZINC001172511516 1132259172 /nfs/dbraw/zinc/25/91/72/1132259172.db2.gz SDKDJMGEDVMCFL-INIZCTEOSA-N 1 1 292.471 3.931 20 30 CHEDMO CC1(C)CC([N@@H+](CCC#N)C2CCCC2)CC(C)(C)O1 ZINC001172658644 1132290645 /nfs/dbraw/zinc/29/06/45/1132290645.db2.gz XJBXAYGDRCQIQW-UHFFFAOYSA-N 1 1 278.440 3.881 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172719765 1132295447 /nfs/dbraw/zinc/29/54/47/1132295447.db2.gz PYBRUNOYYBYWLU-INIZCTEOSA-N 1 1 276.811 3.823 20 30 CHEDMO CN(C)c1ccc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC001231444127 1132295648 /nfs/dbraw/zinc/29/56/48/1132295648.db2.gz JMWNKVOZMDZJGE-LJQANCHMSA-N 1 1 293.414 3.641 20 30 CHEDMO CN(C)c1ccc2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC001231444127 1132295654 /nfs/dbraw/zinc/29/56/54/1132295654.db2.gz JMWNKVOZMDZJGE-LJQANCHMSA-N 1 1 293.414 3.641 20 30 CHEDMO Cc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C ZINC001231484344 1132300300 /nfs/dbraw/zinc/30/03/00/1132300300.db2.gz MIHQCCYTAJCFKU-XGWQRUHWSA-N 1 1 268.404 3.878 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C#N)C2)c(C)c1C ZINC001231494752 1132305400 /nfs/dbraw/zinc/30/54/00/1132305400.db2.gz RZDCNJLCLHITIZ-INIZCTEOSA-N 1 1 256.393 3.574 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(OCCCOC)cc1 ZINC001231509273 1132309967 /nfs/dbraw/zinc/30/99/67/1132309967.db2.gz IBLFPELDMCJBEA-UHFFFAOYSA-N 1 1 291.435 3.890 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231522855 1132313372 /nfs/dbraw/zinc/31/33/72/1132313372.db2.gz LILJIIHCYLKZDH-LLVKDONJSA-N 1 1 298.308 3.537 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231522855 1132313391 /nfs/dbraw/zinc/31/33/91/1132313391.db2.gz 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C=CCC[C@H]([NH2+][C@@H]1CCCC12CCCCC2)C(=O)OCC ZINC001205849061 1133622133 /nfs/dbraw/zinc/62/21/33/1133622133.db2.gz LKWOPTRSKDQILN-JKSUJKDBSA-N 1 1 293.451 3.977 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCCC[C@H](N)C1 ZINC001205932019 1133632509 /nfs/dbraw/zinc/63/25/09/1133632509.db2.gz NGOIDNNOTLQENM-INIZCTEOSA-N 1 1 252.446 3.716 20 30 CHEDMO C=CCCCCCCCCN1CCCC[C@H]([NH3+])C1 ZINC001205932019 1133632511 /nfs/dbraw/zinc/63/25/11/1133632511.db2.gz NGOIDNNOTLQENM-INIZCTEOSA-N 1 1 252.446 3.716 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156994 1133665223 /nfs/dbraw/zinc/66/52/23/1133665223.db2.gz VKQPDGDKOOOWJM-HOTGVXAUSA-N 1 1 270.436 3.664 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156996 1133665238 /nfs/dbraw/zinc/66/52/38/1133665238.db2.gz VKQPDGDKOOOWJM-JKSUJKDBSA-N 1 1 270.436 3.664 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001206232056 1133673431 /nfs/dbraw/zinc/67/34/31/1133673431.db2.gz FJPJTVIRBAEDGI-UHFFFAOYSA-N 1 1 281.786 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C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293374806 263139574 /nfs/dbraw/zinc/13/95/74/263139574.db2.gz FYVNEEACHFBFBJ-PKOBYXMFSA-N 1 1 297.446 3.801 20 30 CHEDMO CCOc1ccc(C2=CC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293715987 263147636 /nfs/dbraw/zinc/14/76/36/263147636.db2.gz FFNUANAALDWXHS-MAUKXSAKSA-N 1 1 296.414 3.867 20 30 CHEDMO C[N@@H+](CCOCCC#N)C1c2ccccc2-c2ccccc21 ZINC000293721672 263147708 /nfs/dbraw/zinc/14/77/08/263147708.db2.gz FSLHOJCESJBGAN-UHFFFAOYSA-N 1 1 292.382 3.618 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296161102 263187007 /nfs/dbraw/zinc/18/70/07/263187007.db2.gz HHSPLUPJRFMEBP-OAHLLOKOSA-N 1 1 294.826 3.635 20 30 CHEDMO N#CCC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000353606335 263232627 /nfs/dbraw/zinc/23/26/27/263232627.db2.gz XNJDPJZZXISCMJ-UHFFFAOYSA-N 1 1 282.309 3.798 20 30 CHEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000156848003 263274203 /nfs/dbraw/zinc/27/42/03/263274203.db2.gz FMQAAKBRTXOWKL-UHFFFAOYSA-N 1 1 284.790 3.609 20 30 CHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000156848003 263274205 /nfs/dbraw/zinc/27/42/05/263274205.db2.gz FMQAAKBRTXOWKL-UHFFFAOYSA-N 1 1 284.790 3.609 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000341136078 263323668 /nfs/dbraw/zinc/32/36/68/263323668.db2.gz ZKQBZWCBARJKKG-HIFRSBDPSA-N 1 1 288.439 3.606 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000341136078 263323669 /nfs/dbraw/zinc/32/36/69/263323669.db2.gz ZKQBZWCBARJKKG-HIFRSBDPSA-N 1 1 288.439 3.606 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000341136078 263323673 /nfs/dbraw/zinc/32/36/73/263323673.db2.gz ZKQBZWCBARJKKG-HIFRSBDPSA-N 1 1 288.439 3.606 20 30 CHEDMO C=CC[N@H+](CCCCCF)Cc1cccc(C#N)c1 ZINC000341832483 263353503 /nfs/dbraw/zinc/35/35/03/263353503.db2.gz AZZXGUPCHXTFOB-UHFFFAOYSA-N 1 1 260.356 3.686 20 30 CHEDMO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000341977645 263369162 /nfs/dbraw/zinc/36/91/62/263369162.db2.gz MLIZYQHGBXECMW-ZDUSSCGKSA-N 1 1 292.810 3.653 20 30 CHEDMO CC(C)n1nccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368375 264212960 /nfs/dbraw/zinc/21/29/60/264212960.db2.gz WKPBBRBHNMQCLB-AWEZNQCLSA-N 1 1 282.391 3.529 20 30 CHEDMO CC(C)n1nccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368375 264212962 /nfs/dbraw/zinc/21/29/62/264212962.db2.gz WKPBBRBHNMQCLB-AWEZNQCLSA-N 1 1 282.391 3.529 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000425367864 264212990 /nfs/dbraw/zinc/21/29/90/264212990.db2.gz VKZJLVDURSFUNR-AWEZNQCLSA-N 1 1 296.418 3.703 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)o1 ZINC000425368751 264213239 /nfs/dbraw/zinc/21/32/39/264213239.db2.gz XSMBGTGGAJPLJJ-LLVKDONJSA-N 1 1 274.751 3.998 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000425368065 264213657 /nfs/dbraw/zinc/21/36/57/264213657.db2.gz VKZJLVDURSFUNR-CQSZACIVSA-N 1 1 296.418 3.703 20 30 CHEDMO CC(C)[C@@H](C[NH2+]CC(C)(C)CCC#N)N1CCCCCC1 ZINC000343283471 264351806 /nfs/dbraw/zinc/35/18/06/264351806.db2.gz KCVPBBMGCZJLHI-QGZVFWFLSA-N 1 1 293.499 3.807 20 30 CHEDMO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000518996073 265287138 /nfs/dbraw/zinc/28/71/38/265287138.db2.gz RZWLTLHRGUKCKZ-SJKOYZFVSA-N 1 1 297.789 3.632 20 30 CHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCSCC#N ZINC000514662663 266031889 /nfs/dbraw/zinc/03/18/89/266031889.db2.gz KXRAWCDYLIGBAR-KGLIPLIRSA-N 1 1 268.470 3.780 20 30 CHEDMO C=CC[N@@H+](Cc1c2ccccc2oc1C(=O)OCC)C1CC1 ZINC000357557013 266323011 /nfs/dbraw/zinc/32/30/11/266323011.db2.gz XKODDFFMUYEGDV-UHFFFAOYSA-N 1 1 299.370 3.760 20 30 CHEDMO C=CC[N@H+](Cc1c2ccccc2oc1C(=O)OCC)C1CC1 ZINC000357557013 266323012 /nfs/dbraw/zinc/32/30/12/266323012.db2.gz XKODDFFMUYEGDV-UHFFFAOYSA-N 1 1 299.370 3.760 20 30 CHEDMO CC[NH+](CC)CCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360819035 266744648 /nfs/dbraw/zinc/74/46/48/266744648.db2.gz GTNUPSLSYNQFIE-IBGZPJMESA-N 1 1 299.462 3.647 20 30 CHEDMO CC(C)C[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC000361498574 266835430 /nfs/dbraw/zinc/83/54/30/266835430.db2.gz UUZMLAAXVCXRPH-UHFFFAOYSA-N 1 1 299.393 3.694 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CC12CCC2 ZINC000361867061 266896926 /nfs/dbraw/zinc/89/69/26/266896926.db2.gz XZYGFRNMHSKASU-ZDUSSCGKSA-N 1 1 272.367 3.709 20 30 CHEDMO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000363285373 267085175 /nfs/dbraw/zinc/08/51/75/267085175.db2.gz JIVBLGMOPBKEGL-WMZOPIPTSA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1noc(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000363285373 267085177 /nfs/dbraw/zinc/08/51/77/267085177.db2.gz JIVBLGMOPBKEGL-WMZOPIPTSA-N 1 1 295.386 3.563 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000367973852 267131580 /nfs/dbraw/zinc/13/15/80/267131580.db2.gz QRYMPKJZYPPULQ-DYVFJYSZSA-N 1 1 284.403 3.598 20 30 CHEDMO Cc1cc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)no1 ZINC000368439103 267172420 /nfs/dbraw/zinc/17/24/20/267172420.db2.gz QQMNYJPFWAQCMU-OAHLLOKOSA-N 1 1 275.396 3.840 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C ZINC000119274242 267314703 /nfs/dbraw/zinc/31/47/03/267314703.db2.gz SFQWGMRSZXOAMT-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000119382300 267326392 /nfs/dbraw/zinc/32/63/92/267326392.db2.gz SGRBYPZVFBXVQS-GFCCVEGCSA-N 1 1 256.374 3.813 20 30 CHEDMO CC(C)COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000418135568 267367909 /nfs/dbraw/zinc/36/79/09/267367909.db2.gz BADGWPQFUVLOGG-UHFFFAOYSA-N 1 1 272.392 3.505 20 30 CHEDMO COc1cc2ccccc2cc1C[NH2+]CC1(C#N)CCC1 ZINC000418137116 267370504 /nfs/dbraw/zinc/37/05/04/267370504.db2.gz DCXREXFEEBZXDM-UHFFFAOYSA-N 1 1 280.371 3.632 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000120110414 267382164 /nfs/dbraw/zinc/38/21/64/267382164.db2.gz JWHDJIDAPKNSAC-ZDUSSCGKSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000188395835 327863683 /nfs/dbraw/zinc/86/36/83/327863683.db2.gz WWPPUVLQDJOEIS-MRVPVSSYSA-N 1 1 276.689 3.608 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000531781903 328033295 /nfs/dbraw/zinc/03/32/95/328033295.db2.gz WDPWPRYMWJZETR-LJQANCHMSA-N 1 1 276.383 3.722 20 30 CHEDMO C=CCc1cc(C[N@@H+](CC2CC2)C(C)C)cc(OC)c1O ZINC000534337043 328049182 /nfs/dbraw/zinc/04/91/82/328049182.db2.gz KSRQUURGGOWKQO-UHFFFAOYSA-N 1 1 289.419 3.750 20 30 CHEDMO N#CC1CCC(CNc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000563531675 328072245 /nfs/dbraw/zinc/07/22/45/328072245.db2.gz KRZFJJNGMLTEAV-UHFFFAOYSA-N 1 1 283.350 3.538 20 30 CHEDMO CCC[N@@H+](CCc1cccc(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000411284112 328081773 /nfs/dbraw/zinc/08/17/73/328081773.db2.gz RQBQSHZEXOBBNS-RDJZCZTQSA-N 1 1 274.383 3.772 20 30 CHEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCC#N ZINC000267078451 328172338 /nfs/dbraw/zinc/17/23/38/328172338.db2.gz XLALNWGYCVHQJX-VXGBXAGGSA-N 1 1 250.773 3.677 20 30 CHEDMO C[N@@H+](C[C@H]1OCCc2ccccc21)CC(C)(C)CCC#N ZINC000271149669 328195256 /nfs/dbraw/zinc/19/52/56/328195256.db2.gz SWWIXXBEPUYUBL-QGZVFWFLSA-N 1 1 286.419 3.562 20 30 CHEDMO Cc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000272283291 328199629 /nfs/dbraw/zinc/19/96/29/328199629.db2.gz OZLDSFUUTLTMEM-CYBMUJFWSA-N 1 1 266.344 3.800 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293927557 328278577 /nfs/dbraw/zinc/27/85/77/328278577.db2.gz YMNSJWDUOSVWPZ-PWSUYJOCSA-N 1 1 266.747 3.603 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000297054926 328293591 /nfs/dbraw/zinc/29/35/91/328293591.db2.gz IQBPQYPAIZBVNA-RYUDHWBXSA-N 1 1 284.325 3.944 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000297054926 328293593 /nfs/dbraw/zinc/29/35/93/328293593.db2.gz IQBPQYPAIZBVNA-RYUDHWBXSA-N 1 1 284.325 3.944 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H]2CCCC[C@H]12 ZINC000535072790 328383781 /nfs/dbraw/zinc/38/37/81/328383781.db2.gz OVKVMZJSZVZDMH-DAXOMENPSA-N 1 1 258.365 3.552 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2ccccc2C#N)c1 ZINC000535213650 328395130 /nfs/dbraw/zinc/39/51/30/328395130.db2.gz XVHUQIGMDBPEKL-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000535213650 328395132 /nfs/dbraw/zinc/39/51/32/328395132.db2.gz XVHUQIGMDBPEKL-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO C#CCCCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281777714 328502761 /nfs/dbraw/zinc/50/27/61/328502761.db2.gz UVWYCJJKLWYWLC-UHFFFAOYSA-N 1 1 292.810 3.534 20 30 CHEDMO N#CC1(C[N@H+](CCc2cccc(F)c2)C2CCCC2)CC1 ZINC000557703839 327021615 /nfs/dbraw/zinc/02/16/15/327021615.db2.gz CJPLQXHGSDACST-UHFFFAOYSA-N 1 1 286.394 3.917 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000558150578 327076099 /nfs/dbraw/zinc/07/60/99/327076099.db2.gz OEEYGMMJIKLFPZ-GOSISDBHSA-N 1 1 294.373 3.881 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558731936 327117791 /nfs/dbraw/zinc/11/77/91/327117791.db2.gz DGDKSTFIBOVBGT-CQSZACIVSA-N 1 1 276.380 3.814 20 30 CHEDMO CC[N@@H+](CCCSCC#N)Cc1ccccc1Cl ZINC000074981556 327122907 /nfs/dbraw/zinc/12/29/07/327122907.db2.gz ZTBNUKMSEZNMJK-UHFFFAOYSA-N 1 1 282.840 3.809 20 30 CHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000042373857 327237493 /nfs/dbraw/zinc/23/74/93/327237493.db2.gz KXMMZFFPPOFBFM-SWLSCSKDSA-N 1 1 260.356 3.708 20 30 CHEDMO Cn1cc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1C#N ZINC000560569703 327325604 /nfs/dbraw/zinc/32/56/04/327325604.db2.gz PQAXTQFAWXGUTD-OAHLLOKOSA-N 1 1 299.805 3.540 20 30 CHEDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000561018018 327358991 /nfs/dbraw/zinc/35/89/91/327358991.db2.gz QGTCDRPLHXKEHJ-WBVHZDCISA-N 1 1 256.393 3.934 20 30 CHEDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1 ZINC000562569532 327494957 /nfs/dbraw/zinc/49/49/57/327494957.db2.gz ZPLACYUGSVUGEU-UHOFOFEASA-N 1 1 280.375 3.501 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000377393073 329013662 /nfs/dbraw/zinc/01/36/62/329013662.db2.gz REPIEHODIVTILP-QGZVFWFLSA-N 1 1 284.403 3.601 20 30 CHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)o1 ZINC000582573858 329109794 /nfs/dbraw/zinc/10/97/94/329109794.db2.gz XEOMSMLDCJYCCO-OTWHNJEPSA-N 1 1 292.382 3.919 20 30 CHEDMO C=CCCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582610477 329116414 /nfs/dbraw/zinc/11/64/14/329116414.db2.gz XRXDXZWPYSQNIL-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO C=CCCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582610477 329116416 /nfs/dbraw/zinc/11/64/16/329116416.db2.gz XRXDXZWPYSQNIL-MRXNPFEDSA-N 1 1 292.492 3.776 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000177029737 329178410 /nfs/dbraw/zinc/17/84/10/329178410.db2.gz TWDJLFQRJNHHRB-UHFFFAOYSA-N 1 1 293.208 3.575 20 30 CHEDMO N#CCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000177029737 329178411 /nfs/dbraw/zinc/17/84/11/329178411.db2.gz TWDJLFQRJNHHRB-UHFFFAOYSA-N 1 1 293.208 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IRYZIQAPURSRBN-UHFFFAOYSA-N 1 1 267.372 3.883 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1F ZINC000136226574 334150100 /nfs/dbraw/zinc/15/01/00/334150100.db2.gz WZZJNJGQYXLZPA-SNVBAGLBSA-N 1 1 290.288 3.826 20 30 CHEDMO C=CCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549180474 334187177 /nfs/dbraw/zinc/18/71/77/334187177.db2.gz ODPFJHHBMBEPNI-AWEZNQCLSA-N 1 1 253.748 3.787 20 30 CHEDMO C=CCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549180474 334187178 /nfs/dbraw/zinc/18/71/78/334187178.db2.gz ODPFJHHBMBEPNI-AWEZNQCLSA-N 1 1 253.748 3.787 20 30 CHEDMO C=CCOCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000549366453 334191443 /nfs/dbraw/zinc/19/14/43/334191443.db2.gz LHWQWVBSCSVVBS-QGZVFWFLSA-N 1 1 259.393 3.806 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000549383971 334192079 /nfs/dbraw/zinc/19/20/79/334192079.db2.gz IQAZSUKDFJETLK-UHFFFAOYSA-N 1 1 283.419 3.794 20 30 CHEDMO C=CCOCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000549767646 334204223 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ZINC000551690684 334257864 /nfs/dbraw/zinc/25/78/64/334257864.db2.gz KSADJIZZZJWHDF-UHFFFAOYSA-N 1 1 299.418 3.540 20 30 CHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000551708298 334258632 /nfs/dbraw/zinc/25/86/32/334258632.db2.gz QEZFBADPFQRTBB-UHFFFAOYSA-N 1 1 261.796 3.956 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551736453 334259668 /nfs/dbraw/zinc/25/96/68/334259668.db2.gz FTZDNFQGFSAODT-GOSISDBHSA-N 1 1 271.404 3.923 20 30 CHEDMO C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248706382 334314214 /nfs/dbraw/zinc/31/42/14/334314214.db2.gz AUCZOFNQWWTKMJ-LZLYRXPVSA-N 1 1 299.462 3.788 20 30 CHEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000552316448 334316257 /nfs/dbraw/zinc/31/62/57/334316257.db2.gz AXHGGJXFADJRSC-WMZOPIPTSA-N 1 1 270.420 3.978 20 30 CHEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000567176794 334687783 /nfs/dbraw/zinc/68/77/83/334687783.db2.gz PQEQGJWVPVBEJS-QGZVFWFLSA-N 1 1 295.386 3.593 20 30 CHEDMO N#CCc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000342766537 335186707 /nfs/dbraw/zinc/18/67/07/335186707.db2.gz VWDPMNOHLTUKKD-UHFFFAOYSA-N 1 1 276.383 3.917 20 30 CHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCCC#N)nc2c1 ZINC000576983012 335273393 /nfs/dbraw/zinc/27/33/93/335273393.db2.gz GECYLGDZUSAMIV-MRXNPFEDSA-N 1 1 282.391 3.702 20 30 CHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCCC#N)[nH]c2c1 ZINC000576983012 335273395 /nfs/dbraw/zinc/27/33/95/335273395.db2.gz GECYLGDZUSAMIV-MRXNPFEDSA-N 1 1 282.391 3.702 20 30 CHEDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CCCCC#N)[nH]c2c1 ZINC000576983012 335273396 /nfs/dbraw/zinc/27/33/96/335273396.db2.gz GECYLGDZUSAMIV-MRXNPFEDSA-N 1 1 282.391 3.702 20 30 CHEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577506484 335361644 /nfs/dbraw/zinc/36/16/44/335361644.db2.gz XROZJLRTOQMXDP-DZGCQCFKSA-N 1 1 271.408 3.600 20 30 CHEDMO CC#CC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC000577551383 335367719 /nfs/dbraw/zinc/36/77/19/335367719.db2.gz PAMMHICPEPJCCU-UHFFFAOYSA-N 1 1 280.209 3.683 20 30 CHEDMO CC[C@H](C[N@@H+](CC)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000577646656 335385608 /nfs/dbraw/zinc/38/56/08/335385608.db2.gz RWIRCEXQJUSJPT-QGZVFWFLSA-N 1 1 293.414 3.969 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000349428788 335467289 /nfs/dbraw/zinc/46/72/89/335467289.db2.gz ZLJFJNRBQYQDAP-UNEWFSDZSA-N 1 1 266.344 3.651 20 30 CHEDMO N#Cc1ccccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179093182 335473113 /nfs/dbraw/zinc/47/31/13/335473113.db2.gz JCBKPJWEFDYTFU-UHFFFAOYSA-N 1 1 282.774 3.991 20 30 CHEDMO C=CCOc1cccc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000579734081 335877296 /nfs/dbraw/zinc/87/72/96/335877296.db2.gz SSPFVORYFREYTN-GFCCVEGCSA-N 1 1 274.389 3.559 20 30 CHEDMO COc1ccccc1-c1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000183839529 335909479 /nfs/dbraw/zinc/90/94/79/335909479.db2.gz VRYXZYVBOCXCFS-CQSZACIVSA-N 1 1 280.371 3.611 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000581111344 336009772 /nfs/dbraw/zinc/00/97/72/336009772.db2.gz 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1131567441 /nfs/dbraw/zinc/56/74/41/1131567441.db2.gz KESXDMNCTJYUAA-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144176666 1131593273 /nfs/dbraw/zinc/59/32/73/1131593273.db2.gz AIFWNFVTFLBVCB-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO C=C(CC(C)C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001139288299 1131601042 /nfs/dbraw/zinc/60/10/42/1131601042.db2.gz RJEZNOVTIPDNTQ-UHFFFAOYSA-N 1 1 294.826 3.942 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139691971 1131630042 /nfs/dbraw/zinc/63/00/42/1131630042.db2.gz LSCZKAALZDEMKE-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140599718 1131818834 /nfs/dbraw/zinc/81/88/34/1131818834.db2.gz NZDOVGAEIQFNAW-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1cc(Cl)ncc1F ZINC001140608884 1131826854 /nfs/dbraw/zinc/82/68/54/1131826854.db2.gz JWCQNGQKPMUXJF-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(Cl)ncc1F ZINC001140608884 1131826857 /nfs/dbraw/zinc/82/68/57/1131826857.db2.gz JWCQNGQKPMUXJF-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO CCC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H](C)CC ZINC001172308853 1132153863 /nfs/dbraw/zinc/15/38/63/1132153863.db2.gz NVVVAJKIZDUGKJ-LSDHHAIUSA-N 1 1 258.409 4.000 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001172356002 1132185258 /nfs/dbraw/zinc/18/52/58/1132185258.db2.gz UDOFKGZKHFUHLS-ARFHVFGLSA-N 1 1 253.430 3.846 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001172356019 1132185621 /nfs/dbraw/zinc/18/56/21/1132185621.db2.gz FYMKWQMBKXZZAV-SOUVJXGZSA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001172362342 1132189334 /nfs/dbraw/zinc/18/93/34/1132189334.db2.gz WFIVOAKMAHWMRN-IRXDYDNUSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCCC[C@H](CC)[NH2+]Cc1noc(C)n1 ZINC001172506475 1132256108 /nfs/dbraw/zinc/25/61/08/1132256108.db2.gz UOHBECAQENFPFF-AWEZNQCLSA-N 1 1 267.417 3.997 20 30 CHEDMO CC(C)Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001231789154 1132362057 /nfs/dbraw/zinc/36/20/57/1132362057.db2.gz BUZYNIPHZOVSQK-QGZVFWFLSA-N 1 1 256.393 3.621 20 30 CHEDMO CC(C)Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001231789154 1132362062 /nfs/dbraw/zinc/36/20/62/1132362062.db2.gz BUZYNIPHZOVSQK-QGZVFWFLSA-N 1 1 256.393 3.621 20 30 CHEDMO N#CCC1CCC([N@H+]2CCC[C@@H](F)C(F)(F)C2)CC1 ZINC001173331163 1132463744 /nfs/dbraw/zinc/46/37/44/1132463744.db2.gz MDJFLJDDLOJXMK-WXRRBKDZSA-N 1 1 274.330 3.528 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(O)cc(Br)c1 ZINC001232998614 1132560360 /nfs/dbraw/zinc/56/03/60/1132560360.db2.gz ADKRAXJKAJLLPL-UHFFFAOYSA-N 1 1 298.224 3.943 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC001203801713 1133371378 /nfs/dbraw/zinc/37/13/78/1133371378.db2.gz YSOQYSSMMZMVLB-XMQYKBBCSA-N 1 1 260.768 3.607 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001204183942 1133416796 /nfs/dbraw/zinc/41/67/96/1133416796.db2.gz UOAVLDGNBAHPRM-NSHDSACASA-N 1 1 268.187 3.839 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001208119727 1133881272 /nfs/dbraw/zinc/88/12/72/1133881272.db2.gz GJOWEKYTGFGVGK-FHQWLQQXSA-N 1 1 271.420 3.698 20 30 CHEDMO C=CC[N@@H+](CCOc1ccccc1)C1CCCCC1 ZINC001209300348 1134002689 /nfs/dbraw/zinc/00/26/89/1134002689.db2.gz RTXHJQMEDIOICX-UHFFFAOYSA-N 1 1 259.393 3.886 20 30 CHEDMO CCCC[N@@H+](CCC#N)CCc1cc(F)c(F)cc1F ZINC001209256090 1133998704 /nfs/dbraw/zinc/99/87/04/1133998704.db2.gz WRGCWPGRNDYOIF-UHFFFAOYSA-N 1 1 284.325 3.662 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001209443183 1134022004 /nfs/dbraw/zinc/02/20/04/1134022004.db2.gz NZCKSJJSNUXWDZ-HOTGVXAUSA-N 1 1 271.420 3.555 20 30 CHEDMO COc1c(Cl)ccc(C[NH+]2CCC(CC#N)CC2)c1F ZINC001209700455 1134051520 /nfs/dbraw/zinc/05/15/20/1134051520.db2.gz ICLHLQAUAWHHRJ-UHFFFAOYSA-N 1 1 296.773 3.613 20 30 CHEDMO C=C(C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224279414 1135435024 /nfs/dbraw/zinc/43/50/24/1135435024.db2.gz XGZJUHMKDASBFO-KRWDZBQOSA-N 1 1 259.393 3.634 20 30 CHEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000052039425 1125514004 /nfs/dbraw/zinc/51/40/04/1125514004.db2.gz FNKFANZPMIBELF-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000052039425 1125514011 /nfs/dbraw/zinc/51/40/11/1125514011.db2.gz FNKFANZPMIBELF-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000119942979 1125539161 /nfs/dbraw/zinc/53/91/61/1125539161.db2.gz KNXJPNLVOXVWGM-CZUORRHYSA-N 1 1 290.382 3.527 20 30 CHEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000119942979 1125539166 /nfs/dbraw/zinc/53/91/66/1125539166.db2.gz KNXJPNLVOXVWGM-CZUORRHYSA-N 1 1 290.382 3.527 20 30 CHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000120147145 1125542827 /nfs/dbraw/zinc/54/28/27/1125542827.db2.gz KFIZQANKRXMLSN-CYBMUJFWSA-N 1 1 298.361 3.865 20 30 CHEDMO C=C(C)CC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000509679426 1125574483 /nfs/dbraw/zinc/57/44/83/1125574483.db2.gz HSWBVLFARCPUGV-NVXWUHKLSA-N 1 1 259.393 3.723 20 30 CHEDMO CC1CCC([N@@H+](Cc2ccc(C#N)o2)C2CC2)CC1 ZINC000130204953 1125578396 /nfs/dbraw/zinc/57/83/96/1125578396.db2.gz PQARAIACLHCKDV-UHFFFAOYSA-N 1 1 258.365 3.694 20 30 CHEDMO Cc1cc(C)cc(OCCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532816320 1125584241 /nfs/dbraw/zinc/58/42/41/1125584241.db2.gz JAKICZAYPQBLDI-INIZCTEOSA-N 1 1 286.419 3.696 20 30 CHEDMO Cc1cc(C)cc(OCCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532816320 1125584247 /nfs/dbraw/zinc/58/42/47/1125584247.db2.gz JAKICZAYPQBLDI-INIZCTEOSA-N 1 1 286.419 3.696 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000245688180 1125587426 /nfs/dbraw/zinc/58/74/26/1125587426.db2.gz AYARQDHPUXFRTM-JKSUJKDBSA-N 1 1 286.419 3.847 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000885963685 1125631693 /nfs/dbraw/zinc/63/16/93/1125631693.db2.gz PJLPQFRUQPIZCO-ROUUACIJSA-N 1 1 298.430 3.577 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1[nH]nc(C)c1C)c1ccc(F)c(F)c1 ZINC000886067180 1125643253 /nfs/dbraw/zinc/64/32/53/1125643253.db2.gz IDTPCCADDIXQBD-MRXNPFEDSA-N 1 1 291.345 3.712 20 30 CHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000246509546 1125644250 /nfs/dbraw/zinc/64/42/50/1125644250.db2.gz CTKNBFIAUTWDLK-SJLPKXTDSA-N 1 1 281.403 3.700 20 30 CHEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@H]1c1ccccc1 ZINC000247047171 1125652988 /nfs/dbraw/zinc/65/29/88/1125652988.db2.gz VPRITBLRRWQEJQ-JFIYKMOQSA-N 1 1 281.403 3.556 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886251455 1125663903 /nfs/dbraw/zinc/66/39/03/1125663903.db2.gz CTOUJWKXJUQKFF-BVGQSLNGSA-N 1 1 284.403 3.509 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1c(O)cccc1F ZINC000886610773 1125696971 /nfs/dbraw/zinc/69/69/71/1125696971.db2.gz JMCBWVWDBMQIFN-LLVKDONJSA-N 1 1 264.344 3.512 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000614963535 1125699603 /nfs/dbraw/zinc/69/96/03/1125699603.db2.gz HKQXARRCGPGTRU-QAPCUYQASA-N 1 1 291.398 3.579 20 30 CHEDMO C[C@@H]([NH2+]CCC#N)c1cccc(SC(F)(F)F)c1 ZINC000886930293 1125725619 /nfs/dbraw/zinc/72/56/19/1125725619.db2.gz YAMDNTRKGXONNF-SECBINFHSA-N 1 1 274.311 3.863 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000192049185 1125735073 /nfs/dbraw/zinc/73/50/73/1125735073.db2.gz DLFJVNOGABLWLR-HUUCEWRRSA-N 1 1 292.423 3.803 20 30 CHEDMO CSc1cc(C)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001238685932 1131232985 /nfs/dbraw/zinc/23/29/85/1131232985.db2.gz RBWYJQHRBSVWLJ-AWEZNQCLSA-N 1 1 274.433 3.843 20 30 CHEDMO C=C(Br)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736946557 1129381766 /nfs/dbraw/zinc/38/17/66/1129381766.db2.gz PSFNBZCNRCMWTC-YPMHNXCESA-N 1 1 298.199 3.912 20 30 CHEDMO C=C(Br)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736946557 1129381769 /nfs/dbraw/zinc/38/17/69/1129381769.db2.gz PSFNBZCNRCMWTC-YPMHNXCESA-N 1 1 298.199 3.912 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000740875250 1129422271 /nfs/dbraw/zinc/42/22/71/1129422271.db2.gz OCQMEAHQDTZOAK-OAHLLOKOSA-N 1 1 263.429 3.570 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000740876937 1129422664 /nfs/dbraw/zinc/42/26/64/1129422664.db2.gz PEHQCUJVQZXQJD-INIZCTEOSA-N 1 1 263.429 3.881 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000740876903 1129422970 /nfs/dbraw/zinc/42/29/70/1129422970.db2.gz NJIZDQJGAUGIJI-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000740876903 1129422972 /nfs/dbraw/zinc/42/29/72/1129422972.db2.gz NJIZDQJGAUGIJI-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CCOc1ccc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001238708448 1131235408 /nfs/dbraw/zinc/23/54/08/1131235408.db2.gz NZHZBOGYFIHHPS-HNNXBMFYSA-N 1 1 272.392 3.519 20 30 CHEDMO C=CCn1c2ccccc2n(C[N@@H+](C)CCC)c1=S ZINC000746074687 1129624386 /nfs/dbraw/zinc/62/43/86/1129624386.db2.gz CYGWQFWDFNPFSE-UHFFFAOYSA-N 1 1 275.421 3.658 20 30 CHEDMO C=CCn1c2ccccc2n(C[N@H+](C)CCC)c1=S ZINC000746074687 1129624388 /nfs/dbraw/zinc/62/43/88/1129624388.db2.gz CYGWQFWDFNPFSE-UHFFFAOYSA-N 1 1 275.421 3.658 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169140671 1129703937 /nfs/dbraw/zinc/70/39/37/1129703937.db2.gz LGOKOQDNYPLIFY-MUJYYYPQSA-N 1 1 252.446 3.514 20 30 CHEDMO CCCCCCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000770684528 1129954687 /nfs/dbraw/zinc/95/46/87/1129954687.db2.gz FVPDIWDYTJNFIQ-UHFFFAOYSA-N 1 1 285.497 3.945 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 ZINC000903100310 1130112733 /nfs/dbraw/zinc/11/27/33/1130112733.db2.gz NJFKOJCFDMUUTO-JTQLQIEISA-N 1 1 286.297 3.786 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000899990579 1126721203 /nfs/dbraw/zinc/72/12/03/1126721203.db2.gz RUZIVDZMINXUAH-LBPRGKRZSA-N 1 1 277.755 3.746 20 30 CHEDMO COCc1ccc([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)o1 ZINC000137084126 1126733888 /nfs/dbraw/zinc/73/38/88/1126733888.db2.gz RNLYJXCADNQMFD-OAHLLOKOSA-N 1 1 290.407 3.893 20 30 CHEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000152520786 1126757112 /nfs/dbraw/zinc/75/71/12/1126757112.db2.gz BTUKEZUKDWEKGW-CQSZACIVSA-N 1 1 285.391 3.619 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000152520786 1126757114 /nfs/dbraw/zinc/75/71/14/1126757114.db2.gz BTUKEZUKDWEKGW-CQSZACIVSA-N 1 1 285.391 3.619 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cc(C)on1)c1ccccc1 ZINC000159931964 1126758824 /nfs/dbraw/zinc/75/88/24/1126758824.db2.gz BCYFMWGHJONIPF-MRXNPFEDSA-N 1 1 256.349 3.780 20 30 CHEDMO C[C@@H]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000429566787 1126763529 /nfs/dbraw/zinc/76/35/29/1126763529.db2.gz LQCATHYOCWJSRW-HIFRSBDPSA-N 1 1 261.796 3.812 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000249276143 1126767135 /nfs/dbraw/zinc/76/71/35/1126767135.db2.gz MBQMLCOAVLTFJB-CZUORRHYSA-N 1 1 298.411 3.754 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000249276143 1126767139 /nfs/dbraw/zinc/76/71/39/1126767139.db2.gz MBQMLCOAVLTFJB-CZUORRHYSA-N 1 1 298.411 3.754 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)o1 ZINC000174253765 1126767800 /nfs/dbraw/zinc/76/78/00/1126767800.db2.gz YHHBGZHQECLFRL-CQSZACIVSA-N 1 1 288.347 3.617 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000792219385 1130438643 /nfs/dbraw/zinc/43/86/43/1130438643.db2.gz YLAIJDZGMCLPOZ-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000792219385 1130438646 /nfs/dbraw/zinc/43/86/46/1130438646.db2.gz YLAIJDZGMCLPOZ-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCC(C)(C)C#N ZINC000174843474 1126773348 /nfs/dbraw/zinc/77/33/48/1126773348.db2.gz ODMSURBGIOYIIP-WBVHZDCISA-N 1 1 286.419 3.778 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000174815251 1126773360 /nfs/dbraw/zinc/77/33/60/1126773360.db2.gz YYFWAGNANXHPQN-INIZCTEOSA-N 1 1 256.393 3.936 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1ccc(F)cc1 ZINC000174832546 1126773745 /nfs/dbraw/zinc/77/37/45/1126773745.db2.gz HVQJIEHNNXKNAR-UHFFFAOYSA-N 1 1 262.372 3.630 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000483305125 1126779551 /nfs/dbraw/zinc/77/95/51/1126779551.db2.gz DVWGHTRSAYNBCW-UHFFFAOYSA-N 1 1 257.377 3.626 20 30 CHEDMO C[N@@H+](CCCCC#N)CCOc1ccccc1C(C)(C)C ZINC000483315937 1126780655 /nfs/dbraw/zinc/78/06/55/1126780655.db2.gz MBYKTGSTGWARSZ-UHFFFAOYSA-N 1 1 288.435 3.989 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000175126521 1126778028 /nfs/dbraw/zinc/77/80/28/1126778028.db2.gz WOFNKYYQRQIMHF-MRXNPFEDSA-N 1 1 273.424 3.882 20 30 CHEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000483513648 1126790582 /nfs/dbraw/zinc/79/05/82/1126790582.db2.gz OGOOZFPIWOYGHL-UHFFFAOYSA-N 1 1 279.383 3.569 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000162740699 1126787665 /nfs/dbraw/zinc/78/76/65/1126787665.db2.gz RBVDVPJILUDACX-UHFFFAOYSA-N 1 1 295.007 3.945 20 30 CHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483520974 1126791828 /nfs/dbraw/zinc/79/18/28/1126791828.db2.gz XADOLBLJLQNEGL-HNNXBMFYSA-N 1 1 267.347 3.870 20 30 CHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483602703 1126794302 /nfs/dbraw/zinc/79/43/02/1126794302.db2.gz DCICSWGZFHLFNL-LJQANCHMSA-N 1 1 275.395 3.836 20 30 CHEDMO CC(C)(C)C1=CC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000484069047 1126809813 /nfs/dbraw/zinc/80/98/13/1126809813.db2.gz DUMKVWGGDGVWBT-UHFFFAOYSA-N 1 1 272.367 3.876 20 30 CHEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1c1ccccc1OC ZINC001255172346 1130545551 /nfs/dbraw/zinc/54/55/51/1130545551.db2.gz NOTICCWNDYPTNS-ZFWWWQNUSA-N 1 1 258.365 3.524 20 30 CHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)co1)CC1CCCCC1 ZINC000484571135 1126828658 /nfs/dbraw/zinc/82/86/58/1126828658.db2.gz NIOOSRFRYPKZLW-UHFFFAOYSA-N 1 1 291.391 3.635 20 30 CHEDMO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@H](C#N)CCC#N ZINC000179734529 1126833305 /nfs/dbraw/zinc/83/33/05/1126833305.db2.gz ZTMHFSVDRLOXSA-GOEBONIOSA-N 1 1 285.391 3.570 20 30 CHEDMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000181812389 1126862047 /nfs/dbraw/zinc/86/20/47/1126862047.db2.gz NTLZHLGXOUMCAR-CXAGYDPISA-N 1 1 298.386 3.752 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)C(C)(C)C)no1 ZINC000904612187 1126862500 /nfs/dbraw/zinc/86/25/00/1126862500.db2.gz JHMJJDFLNMBYRE-MNOVXSKESA-N 1 1 251.374 3.575 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000183705453 1126890377 /nfs/dbraw/zinc/89/03/77/1126890377.db2.gz ZYGLFPKKSXWENA-MRXNPFEDSA-N 1 1 294.398 3.677 20 30 CHEDMO C=CCN1CCC([NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186325325 1126906728 /nfs/dbraw/zinc/90/67/28/1126906728.db2.gz NJFHBINUQRXBGP-CYBMUJFWSA-N 1 1 293.480 3.568 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(C)cnc1F ZINC001235334749 1130733860 /nfs/dbraw/zinc/73/38/60/1130733860.db2.gz NIUFGJYQGFFTAD-UHFFFAOYSA-N 1 1 252.377 3.931 20 30 CHEDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C#N)C2)cc1C(C)C ZINC000905722998 1126913316 /nfs/dbraw/zinc/91/33/16/1126913316.db2.gz VQYABZVDGVAUEA-CQSZACIVSA-N 1 1 272.392 3.560 20 30 CHEDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C#N)C2)cc1C(C)C ZINC000905722998 1126913317 /nfs/dbraw/zinc/91/33/17/1126913317.db2.gz VQYABZVDGVAUEA-CQSZACIVSA-N 1 1 272.392 3.560 20 30 CHEDMO CCCCCCC/C=C/CN(C)C1CC[NH2+]CC1 ZINC001235473180 1130748634 /nfs/dbraw/zinc/74/86/34/1130748634.db2.gz MQRIIDVLPDQCFO-MDZDMXLPSA-N 1 1 252.446 3.587 20 30 CHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191225257 1126950079 /nfs/dbraw/zinc/95/00/79/1126950079.db2.gz PFSLSXUPPPZVAU-LBPRGKRZSA-N 1 1 287.794 3.743 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000266860652 1126989054 /nfs/dbraw/zinc/98/90/54/1126989054.db2.gz JOAFBUBAYNGTIA-DNVCBOLYSA-N 1 1 292.382 3.782 20 30 CHEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908017998 1126989715 /nfs/dbraw/zinc/98/97/15/1126989715.db2.gz WFTIIVJGXICDGE-FUHWJXTLSA-N 1 1 298.430 3.761 20 30 CHEDMO N#CC1CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000486653702 1126991597 /nfs/dbraw/zinc/99/15/97/1126991597.db2.gz GDGAMXPUQFWMDL-UHFFFAOYSA-N 1 1 283.202 3.771 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCCOc2ccccc2)ccc1C#N ZINC000486794585 1127002307 /nfs/dbraw/zinc/00/23/07/1127002307.db2.gz DBHMOSXSNKKWNK-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCOc2ccc(F)cc2)ccc1C#N ZINC000486802290 1127004647 /nfs/dbraw/zinc/00/46/47/1127004647.db2.gz NRMBGMIKWYUSEQ-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486804263 1127005033 /nfs/dbraw/zinc/00/50/33/1127005033.db2.gz UUASCYNJYDZKSB-QGZVFWFLSA-N 1 1 299.418 3.541 20 30 CHEDMO CC1CCC([N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000042316484 1127038137 /nfs/dbraw/zinc/03/81/37/1127038137.db2.gz UDQQFNCLEAOLRM-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cnccc1C ZINC000269649562 1127043768 /nfs/dbraw/zinc/04/37/68/1127043768.db2.gz UWPGLWZCMWGBQV-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cnccc1C ZINC000269649562 1127043771 /nfs/dbraw/zinc/04/37/71/1127043771.db2.gz UWPGLWZCMWGBQV-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000488078570 1127055267 /nfs/dbraw/zinc/05/52/67/1127055267.db2.gz JDGVZNIXHXSKQG-MRXNPFEDSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CCCCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000488123937 1127057992 /nfs/dbraw/zinc/05/79/92/1127057992.db2.gz JDUGVBWCFBSBAY-HZPDHXFCSA-N 1 1 283.481 3.719 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000488209579 1127062332 /nfs/dbraw/zinc/06/23/32/1127062332.db2.gz JJBOVQGRGYEUFR-OAHLLOKOSA-N 1 1 265.422 3.868 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000488209579 1127062335 /nfs/dbraw/zinc/06/23/35/1127062335.db2.gz JJBOVQGRGYEUFR-OAHLLOKOSA-N 1 1 265.422 3.868 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000488213189 1127063983 /nfs/dbraw/zinc/06/39/83/1127063983.db2.gz CQDIOMJUQQYHGS-GOSISDBHSA-N 1 1 289.419 3.815 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000488213189 1127063985 /nfs/dbraw/zinc/06/39/85/1127063985.db2.gz CQDIOMJUQQYHGS-GOSISDBHSA-N 1 1 289.419 3.815 20 30 CHEDMO Cc1[nH+]ccn1CCS[C@H](C)c1ccc(C#N)cc1 ZINC000271002192 1127065047 /nfs/dbraw/zinc/06/50/47/1127065047.db2.gz HJYRAONCIBJEKK-GFCCVEGCSA-N 1 1 271.389 3.558 20 30 CHEDMO Cc1cc(C[N@H+](C)C[C@H](C)c2nccs2)ccc1C#N ZINC000488271156 1127067039 /nfs/dbraw/zinc/06/70/39/1127067039.db2.gz YFCAJFROZPYZRU-ZDUSSCGKSA-N 1 1 285.416 3.559 20 30 CHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H]1CC[C@@H](C#N)C1 ZINC000339113674 1127113299 /nfs/dbraw/zinc/11/32/99/1127113299.db2.gz IIAOFOMTMFKAMR-HIFRSBDPSA-N 1 1 267.376 3.682 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339193522 1127119119 /nfs/dbraw/zinc/11/91/19/1127119119.db2.gz GZFMHMZTILTKAC-NVXWUHKLSA-N 1 1 286.423 3.534 20 30 CHEDMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc(C#N)c1 ZINC000348808360 1127128676 /nfs/dbraw/zinc/12/86/76/1127128676.db2.gz LCPVFKQGCFBGGO-LBPRGKRZSA-N 1 1 276.343 3.618 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC)Cc2ccncc2)cc1 ZINC000348920448 1127134542 /nfs/dbraw/zinc/13/45/42/1127134542.db2.gz KBPWOESTQHWAKQ-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C[C@H](CC1CCOCC1)C[N@@H+](CCC#N)CC(C)(C)C ZINC000349964647 1127169251 /nfs/dbraw/zinc/16/92/51/1127169251.db2.gz JYBAVYZCWRQXAG-OAHLLOKOSA-N 1 1 280.456 3.701 20 30 CHEDMO CC(C)C1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237530421 1131111425 /nfs/dbraw/zinc/11/14/25/1131111425.db2.gz OKIXDORVLVOBIZ-UHFFFAOYSA-N 1 1 278.346 3.704 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@]12CCN(CC(C)C)C2=O ZINC001275113558 1127235471 /nfs/dbraw/zinc/23/54/71/1127235471.db2.gz FMCIZIVWVFJQDP-GOSISDBHSA-N 1 1 294.483 3.680 20 30 CHEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000589999772 1127242572 /nfs/dbraw/zinc/24/25/72/1127242572.db2.gz BKUAXWBKINUYHR-HNNXBMFYSA-N 1 1 279.387 3.925 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC3 ZINC000590165998 1127250744 /nfs/dbraw/zinc/25/07/44/1127250744.db2.gz LIFGWPPBSBLVAB-KBPBESRZSA-N 1 1 279.387 3.527 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC3 ZINC000590165998 1127250746 /nfs/dbraw/zinc/25/07/46/1127250746.db2.gz LIFGWPPBSBLVAB-KBPBESRZSA-N 1 1 279.387 3.527 20 30 CHEDMO C=C(C)C[N@H+](CC[C@H](C)F)Cc1cnn(C(C)C)c1 ZINC000352922112 1127251361 /nfs/dbraw/zinc/25/13/61/1127251361.db2.gz NOOIPLJPUVDVNG-AWEZNQCLSA-N 1 1 267.392 3.590 20 30 CHEDMO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc2ccccc21 ZINC000590649082 1127266576 /nfs/dbraw/zinc/26/65/76/1127266576.db2.gz QDYTVRKZLLOWNX-LJQANCHMSA-N 1 1 294.398 3.974 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc2ccccc21 ZINC000590649082 1127266578 /nfs/dbraw/zinc/26/65/78/1127266578.db2.gz QDYTVRKZLLOWNX-LJQANCHMSA-N 1 1 294.398 3.974 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000590741210 1127271162 /nfs/dbraw/zinc/27/11/62/1127271162.db2.gz OCMASQAJXBKSAF-IBGZPJMESA-N 1 1 291.398 3.641 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(F)(F)CC1 ZINC000286688365 1127271877 /nfs/dbraw/zinc/27/18/77/1127271877.db2.gz CVTPKQZKQUMNFC-UHFFFAOYSA-N 1 1 264.319 3.568 20 30 CHEDMO CC[C@H](NCC[N@@H+]1CCCC[C@@H]1CC)c1ccc(C#N)cc1 ZINC000573057111 1127281230 /nfs/dbraw/zinc/28/12/30/1127281230.db2.gz ODXIZOIMEWQAPF-OALUTQOASA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H](NCC[N@H+]1CCCC[C@@H]1CC)c1ccc(C#N)cc1 ZINC000573057111 1127281231 /nfs/dbraw/zinc/28/12/31/1127281231.db2.gz ODXIZOIMEWQAPF-OALUTQOASA-N 1 1 299.462 3.863 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H](c3ccco3)C2)CCCCC1 ZINC000591014280 1127282599 /nfs/dbraw/zinc/28/25/99/1127282599.db2.gz YCMRRSZYDRMOTO-OAHLLOKOSA-N 1 1 272.392 3.933 20 30 CHEDMO C#CCC[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000760819264 1127295028 /nfs/dbraw/zinc/29/50/28/1127295028.db2.gz HSDBWKAJCXAERF-ZDUSSCGKSA-N 1 1 299.336 3.738 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1CSC ZINC000354096654 1127292158 /nfs/dbraw/zinc/29/21/58/1127292158.db2.gz KLEKTNCDNFUJGT-HNNXBMFYSA-N 1 1 277.433 3.579 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(F)c(C2CC2)c1 ZINC001238510734 1131210479 /nfs/dbraw/zinc/21/04/79/1131210479.db2.gz FTIJHOWJFBUHBH-UHFFFAOYSA-N 1 1 260.356 3.829 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(F)c(C2CC2)c1 ZINC001238510734 1131210482 /nfs/dbraw/zinc/21/04/82/1131210482.db2.gz FTIJHOWJFBUHBH-UHFFFAOYSA-N 1 1 260.356 3.829 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[C@H]1CCOC1 ZINC000592071193 1127334251 /nfs/dbraw/zinc/33/42/51/1127334251.db2.gz CARJPNNGHAHDHV-UHOSZYNNSA-N 1 1 298.430 3.575 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592069817 1127335078 /nfs/dbraw/zinc/33/50/78/1127335078.db2.gz UEJAQEWOYUWFFU-MRXNPFEDSA-N 1 1 271.408 3.601 20 30 CHEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592072377 1127335112 /nfs/dbraw/zinc/33/51/12/1127335112.db2.gz JIMTXSXNTDSDQT-QGZVFWFLSA-N 1 1 295.386 3.972 20 30 CHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592072377 1127335116 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1127509165 /nfs/dbraw/zinc/50/91/65/1127509165.db2.gz GFAIUAGPNAUMGX-GOSISDBHSA-N 1 1 291.398 3.845 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596591010 1127509168 /nfs/dbraw/zinc/50/91/68/1127509168.db2.gz GFAIUAGPNAUMGX-GOSISDBHSA-N 1 1 291.398 3.845 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596589806 1127509316 /nfs/dbraw/zinc/50/93/16/1127509316.db2.gz BBMJAPFVBDTBBO-OAHLLOKOSA-N 1 1 271.408 3.794 20 30 CHEDMO CC1(C)C[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000596589056 1127509531 /nfs/dbraw/zinc/50/95/31/1127509531.db2.gz IBHPNBLNQIMGMC-GOSISDBHSA-N 1 1 291.398 3.579 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccon1 ZINC000360884126 1127518340 /nfs/dbraw/zinc/51/83/40/1127518340.db2.gz NPJFQLDKRAQJKJ-PXAZEXFGSA-N 1 1 281.359 3.665 20 30 CHEDMO CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CC1 ZINC000596984286 1127523650 /nfs/dbraw/zinc/52/36/50/1127523650.db2.gz LHQOEIOPHBDYPA-UHFFFAOYSA-N 1 1 268.404 3.864 20 30 CHEDMO 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N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000594028661 1127771823 /nfs/dbraw/zinc/77/18/23/1127771823.db2.gz SJXHHIXBQHRRDU-OALUTQOASA-N 1 1 274.367 3.678 20 30 CHEDMO CC(C)n1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594032477 1127773682 /nfs/dbraw/zinc/77/36/82/1127773682.db2.gz UIXKDZDCSGTFBM-UHFFFAOYSA-N 1 1 294.402 3.505 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000606902247 1127781398 /nfs/dbraw/zinc/78/13/98/1127781398.db2.gz HUODOXPKJDXPMI-UHFFFAOYSA-N 1 1 276.424 3.885 20 30 CHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000543810835 1127793073 /nfs/dbraw/zinc/79/30/73/1127793073.db2.gz LQVCBIJICMDSTO-MAUKXSAKSA-N 1 1 271.379 3.689 20 30 CHEDMO CC#CC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000607727964 1127826184 /nfs/dbraw/zinc/82/61/84/1127826184.db2.gz LQHPYSYWDWJCHA-CYBMUJFWSA-N 1 1 299.336 3.738 20 30 CHEDMO C=CCCCCC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000373239569 1127829738 /nfs/dbraw/zinc/82/97/38/1127829738.db2.gz 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COc1cc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)ccc1C#N ZINC000442890085 1127919076 /nfs/dbraw/zinc/91/90/76/1127919076.db2.gz MTWWKOUAYCUQJJ-KUHUBIRLSA-N 1 1 292.382 3.760 20 30 CHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000539453381 1127923382 /nfs/dbraw/zinc/92/33/82/1127923382.db2.gz LVPPDBHHOOFIAJ-INIZCTEOSA-N 1 1 274.383 3.628 20 30 CHEDMO C=CC[N@H+](CCC#CC)Cc1ccc(Cl)s1 ZINC000462313371 1127925647 /nfs/dbraw/zinc/92/56/47/1127925647.db2.gz LOJOXPWEFLWPSN-UHFFFAOYSA-N 1 1 253.798 3.803 20 30 CHEDMO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000539498418 1127926373 /nfs/dbraw/zinc/92/63/73/1127926373.db2.gz OQGQGIJRMUQETG-KXBFYZLASA-N 1 1 299.462 3.719 20 30 CHEDMO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000539498415 1127926926 /nfs/dbraw/zinc/92/69/26/1127926926.db2.gz OQGQGIJRMUQETG-BEFAXECRSA-N 1 1 299.462 3.719 20 30 CHEDMO Cc1ccoc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000539704126 1127936334 /nfs/dbraw/zinc/93/63/34/1127936334.db2.gz 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1128066060 /nfs/dbraw/zinc/06/60/60/1128066060.db2.gz BDYURAIXBQEIEY-KRWDZBQOSA-N 1 1 264.457 3.705 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccnc1C)c1ccc(Cl)cc1 ZINC000491474167 1128070446 /nfs/dbraw/zinc/07/04/46/1128070446.db2.gz KNYQBKAWFOGMKT-MRXNPFEDSA-N 1 1 270.763 3.508 20 30 CHEDMO C=CCOCCC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000470762007 1128076397 /nfs/dbraw/zinc/07/63/97/1128076397.db2.gz NWVDKTSMTUCZRF-NVXWUHKLSA-N 1 1 291.460 3.758 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000470782070 1128076954 /nfs/dbraw/zinc/07/69/54/1128076954.db2.gz PSXQSFIGEGQYAT-RHSMWYFYSA-N 1 1 277.383 3.801 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000470727927 1128074648 /nfs/dbraw/zinc/07/46/48/1128074648.db2.gz XEDPHMKECCSNAX-SFHVURJKSA-N 1 1 289.419 3.597 20 30 CHEDMO C=CCOCCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000470721970 1128074767 /nfs/dbraw/zinc/07/47/67/1128074767.db2.gz GFAHKUAYVZZRJA-UHFFFAOYSA-N 1 1 269.388 3.864 20 30 CHEDMO C=CCOCCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000470723000 1128074952 /nfs/dbraw/zinc/07/49/52/1128074952.db2.gz LQHXQRASPWZJHA-MRXNPFEDSA-N 1 1 273.420 3.880 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000470727926 1128075465 /nfs/dbraw/zinc/07/54/65/1128075465.db2.gz XEDPHMKECCSNAX-GOSISDBHSA-N 1 1 289.419 3.597 20 30 CHEDMO C=C(C)C[N@H+](CCCOC(C)C)Cc1ccccc1 ZINC000470905063 1128079415 /nfs/dbraw/zinc/07/94/15/1128079415.db2.gz BWZXEBZIJVOQMX-UHFFFAOYSA-N 1 1 261.409 3.880 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000470913859 1128081129 /nfs/dbraw/zinc/08/11/29/1128081129.db2.gz SSPASNZACPCYHE-RDJZCZTQSA-N 1 1 259.393 3.632 20 30 CHEDMO C=CC[N@@H+]([C@@H]1CCc2cc(F)ccc2C1)C(C)(C)C ZINC001168443317 1128085199 /nfs/dbraw/zinc/08/51/99/1128085199.db2.gz AIGAWNSMMUDMFD-MRXNPFEDSA-N 1 1 261.384 3.970 20 30 CHEDMO C=CC[N@@H+]([C@H]1CCc2cc(F)ccc2C1)C(C)(C)C ZINC001168443316 1128085616 /nfs/dbraw/zinc/08/56/16/1128085616.db2.gz AIGAWNSMMUDMFD-INIZCTEOSA-N 1 1 261.384 3.970 20 30 CHEDMO N#CCOc1ccc(C[NH2+]Cc2ccsc2Cl)cc1 ZINC000312757426 1128088857 /nfs/dbraw/zinc/08/88/57/1128088857.db2.gz DSEZHHSPRHCUDX-UHFFFAOYSA-N 1 1 292.791 3.594 20 30 CHEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925265503 1128126767 /nfs/dbraw/zinc/12/67/67/1128126767.db2.gz ZTFGWZWHDMQNHM-SFYZADRCSA-N 1 1 278.705 3.979 20 30 CHEDMO N#CCC[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925602969 1128133864 /nfs/dbraw/zinc/13/38/64/1128133864.db2.gz YIGZBQKHSHTOOM-IPMKNSEASA-N 1 1 297.446 3.638 20 30 CHEDMO N#CCC[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925602969 1128133866 /nfs/dbraw/zinc/13/38/66/1128133866.db2.gz YIGZBQKHSHTOOM-IPMKNSEASA-N 1 1 297.446 3.638 20 30 CHEDMO N#CC1(CN[C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925705845 1128137431 /nfs/dbraw/zinc/13/74/31/1128137431.db2.gz IPNQWYMSZCGJEG-KRWDZBQOSA-N 1 1 285.435 3.530 20 30 CHEDMO CCc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)ccc1C#N ZINC001238760740 1131242025 /nfs/dbraw/zinc/24/20/25/1131242025.db2.gz PGZASFVKYZOCSR-AEFFLSMTSA-N 1 1 268.404 3.743 20 30 CHEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000926318073 1128166478 /nfs/dbraw/zinc/16/64/78/1128166478.db2.gz STZLZBXJGHGMLH-JKSUJKDBSA-N 1 1 293.370 3.509 20 30 CHEDMO C=CCCC[C@H]([NH2+][C@H](C)c1cnn(C)n1)c1ccccc1 ZINC000926854079 1128198494 /nfs/dbraw/zinc/19/84/94/1128198494.db2.gz CLHMRYBGBGTRPN-ZBFHGGJFSA-N 1 1 284.407 3.563 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914820917 1128248039 /nfs/dbraw/zinc/24/80/39/1128248039.db2.gz NQNBZBDZGUKZJB-CQSZACIVSA-N 1 1 265.784 3.759 20 30 CHEDMO C=CC[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C(C)C ZINC000929293642 1128268701 /nfs/dbraw/zinc/26/87/01/1128268701.db2.gz ZMWVVMKVYGVQEE-HUUCEWRRSA-N 1 1 265.347 3.932 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCc2nc[nH]c2C1 ZINC000929071785 1128256190 /nfs/dbraw/zinc/25/61/90/1128256190.db2.gz CTWJCVQIJPZQCW-UHFFFAOYSA-N 1 1 263.429 3.909 20 30 CHEDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)c1 ZINC000926960859 1128206522 /nfs/dbraw/zinc/20/65/22/1128206522.db2.gz QSQBRQHQQUOWJT-ZDUSSCGKSA-N 1 1 283.350 3.560 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCC3CCCC3)CCO2)c1 ZINC000761767595 1128211687 /nfs/dbraw/zinc/21/16/87/1128211687.db2.gz ZVXHAYOHNILGCL-LJQANCHMSA-N 1 1 298.430 3.902 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCC3CCCC3)CCO2)c1 ZINC000761767595 1128211690 /nfs/dbraw/zinc/21/16/90/1128211690.db2.gz ZVXHAYOHNILGCL-LJQANCHMSA-N 1 1 298.430 3.902 20 30 CHEDMO Cc1[nH+]c(C=NNc2cc(C)cc(C)c2)c2ccccn12 ZINC000914600253 1128219219 /nfs/dbraw/zinc/21/92/19/1128219219.db2.gz UFAJNHAASAIPHO-UHFFFAOYSA-N 1 1 278.359 3.706 20 30 CHEDMO C#CC[N@H+](CCc1scnc1C)[C@@H]1CCc2ccccc21 ZINC000074349849 1128231039 /nfs/dbraw/zinc/23/10/39/1128231039.db2.gz DOISHIZINODPNC-QGZVFWFLSA-N 1 1 296.439 3.617 20 30 CHEDMO C[C@H](Cc1cccc(F)c1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001168479709 1128241303 /nfs/dbraw/zinc/24/13/03/1128241303.db2.gz LAYJBMQXNZMHQF-CQSZACIVSA-N 1 1 294.373 3.687 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2[nH]ccc21 ZINC000495185130 1128242081 /nfs/dbraw/zinc/24/20/81/1128242081.db2.gz SPOBIPJTNPGARY-UHFFFAOYSA-N 1 1 280.371 3.992 20 30 CHEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)[nH]1 ZINC000929396707 1128272611 /nfs/dbraw/zinc/27/26/11/1128272611.db2.gz DCBRESLCGIIUDY-UHFFFAOYSA-N 1 1 296.418 3.556 20 30 CHEDMO CCc1ncc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000929396732 1128272946 /nfs/dbraw/zinc/27/29/46/1128272946.db2.gz DQZHSPOYJGJUIO-UHFFFAOYSA-N 1 1 297.402 3.767 20 30 CHEDMO COc1ccc(C[N@@H+](C)CC2CCC(C#N)CC2)cc1C ZINC000929511740 1128275906 /nfs/dbraw/zinc/27/59/06/1128275906.db2.gz YIUVAPHSVGIXSF-UHFFFAOYSA-N 1 1 286.419 3.765 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000929811195 1128288761 /nfs/dbraw/zinc/28/87/61/1128288761.db2.gz KIBDWHZEJFQDFO-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000929811195 1128288765 /nfs/dbraw/zinc/28/87/65/1128288765.db2.gz KIBDWHZEJFQDFO-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000929817184 1128289677 /nfs/dbraw/zinc/28/96/77/1128289677.db2.gz MDJMIVUVNYBQAY-FJBKBRRZSA-N 1 1 278.465 3.676 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C12CCC2 ZINC000929841903 1128290365 /nfs/dbraw/zinc/29/03/65/1128290365.db2.gz QCKNIIJEKXDPOX-BHUNQDJPSA-N 1 1 290.451 3.596 20 30 CHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929970324 1128296295 /nfs/dbraw/zinc/29/62/95/1128296295.db2.gz CZWRQGYOIJKEAG-WLYUNCDWSA-N 1 1 272.392 3.715 20 30 CHEDMO C=CCc1cc(OC)cc(C[N@H+](CC)CCCC)c1O ZINC000754723510 1128298443 /nfs/dbraw/zinc/29/84/43/1128298443.db2.gz NUGCQYNTPRUYDU-UHFFFAOYSA-N 1 1 277.408 3.751 20 30 CHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000930224070 1128309434 /nfs/dbraw/zinc/30/94/34/1128309434.db2.gz WYUWWFCSBSFTPS-SECBINFHSA-N 1 1 289.766 3.667 20 30 CHEDMO CCCCCCCN1CCCC[C@]12CCC[NH2+]C2 ZINC001235172361 1128311654 /nfs/dbraw/zinc/31/16/54/1128311654.db2.gz MATRZARJJNZMJS-MRXNPFEDSA-N 1 1 252.446 3.565 20 30 CHEDMO CCCCOC(=O)CC[C@H](C)[N@H+](CCC#N)CCCC ZINC001257398912 1128311249 /nfs/dbraw/zinc/31/12/49/1128311249.db2.gz UAWTWLAZAKTZGO-HNNXBMFYSA-N 1 1 282.428 3.514 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCC=C(c3ccco3)C2)CC1 ZINC000930442814 1128318881 /nfs/dbraw/zinc/31/88/81/1128318881.db2.gz QKFCJJXUKDOKNE-UHFFFAOYSA-N 1 1 270.376 3.699 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000930745395 1128334025 /nfs/dbraw/zinc/33/40/25/1128334025.db2.gz WYDPIHVYJAAYCL-XUJLQICISA-N 1 1 278.465 3.534 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2c(C)cc(C#N)cc2C)nc1 ZINC000930614096 1128327373 /nfs/dbraw/zinc/32/73/73/1128327373.db2.gz DNQKSCUVYBJPCX-UHFFFAOYSA-N 1 1 279.387 3.511 20 30 CHEDMO N#CC1(CCCCn2c[nH+]c3c2CCCC3)CCC1 ZINC000930600876 1128327774 /nfs/dbraw/zinc/32/77/74/1128327774.db2.gz OHWARSHVMGLGLJ-UHFFFAOYSA-N 1 1 257.381 3.626 20 30 CHEDMO CCCCCCCCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000915628026 1128331684 /nfs/dbraw/zinc/33/16/84/1128331684.db2.gz UNNBRVPCWSIHJN-INIZCTEOSA-N 1 1 282.472 3.585 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000930864863 1128338404 /nfs/dbraw/zinc/33/84/04/1128338404.db2.gz ZIRDXPNZAOOTHJ-INIZCTEOSA-N 1 1 290.357 3.796 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000931026100 1128344307 /nfs/dbraw/zinc/34/43/07/1128344307.db2.gz PZBKFWXVOLYXTM-FOIPXRHGSA-N 1 1 290.451 3.597 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(C)cncc1Br ZINC001235652401 1128346369 /nfs/dbraw/zinc/34/63/69/1128346369.db2.gz YCLOKMUOYGZKPL-UHFFFAOYSA-N 1 1 297.240 3.941 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(C)cncc1Br ZINC001235652401 1128346374 /nfs/dbraw/zinc/34/63/74/1128346374.db2.gz YCLOKMUOYGZKPL-UHFFFAOYSA-N 1 1 297.240 3.941 20 30 CHEDMO C=C(C)C[N@@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000777960541 1128349446 /nfs/dbraw/zinc/34/94/46/1128349446.db2.gz GVTQNUZKGVXYBD-UHFFFAOYSA-N 1 1 293.773 3.808 20 30 CHEDMO N#CC1(CCCC[N@H+]2Cc3ccc(O)cc3C2)CCC1 ZINC000931166046 1128351864 /nfs/dbraw/zinc/35/18/64/1128351864.db2.gz XLRZPPCXPZKYCY-UHFFFAOYSA-N 1 1 270.376 3.572 20 30 CHEDMO N#CC1(CCCC[N@@H+]2Cc3ccc(O)cc3C2)CCC1 ZINC000931166046 1128351868 /nfs/dbraw/zinc/35/18/68/1128351868.db2.gz XLRZPPCXPZKYCY-UHFFFAOYSA-N 1 1 270.376 3.572 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000931255895 1128353812 /nfs/dbraw/zinc/35/38/12/1128353812.db2.gz WAJQGGUYNUOYHP-CYBMUJFWSA-N 1 1 278.346 3.795 20 30 CHEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000931255022 1128354136 /nfs/dbraw/zinc/35/41/36/1128354136.db2.gz QOWVWXXADHIMGU-JTQLQIEISA-N 1 1 284.737 3.831 20 30 CHEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000931255022 1128354141 /nfs/dbraw/zinc/35/41/41/1128354141.db2.gz QOWVWXXADHIMGU-JTQLQIEISA-N 1 1 284.737 3.831 20 30 CHEDMO CCC[N@@H+](CCN1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000561934412 1128363423 /nfs/dbraw/zinc/36/34/23/1128363423.db2.gz BJCINLHTVPLLGM-KRWDZBQOSA-N 1 1 299.462 3.817 20 30 CHEDMO CCCN(CC[NH+]1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000561934412 1128363426 /nfs/dbraw/zinc/36/34/26/1128363426.db2.gz BJCINLHTVPLLGM-KRWDZBQOSA-N 1 1 299.462 3.817 20 30 CHEDMO CN(C)c1ccc(C=[NH+]Nc2cccc(Cl)c2)cc1 ZINC000916269471 1128414906 /nfs/dbraw/zinc/41/49/06/1128414906.db2.gz QTSKDDMDGNPGFW-UHFFFAOYSA-N 1 1 273.767 3.852 20 30 CHEDMO C[N@H+](Cc1sccc1Cl)Cc1cccc(C#N)c1 ZINC000194328507 1128373578 /nfs/dbraw/zinc/37/35/78/1128373578.db2.gz OWKFCKMEQRNTII-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO C[N@@H+](Cc1sccc1Cl)Cc1cccc(C#N)c1 ZINC000194328507 1128373582 /nfs/dbraw/zinc/37/35/82/1128373582.db2.gz OWKFCKMEQRNTII-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234625 1128373739 /nfs/dbraw/zinc/37/37/39/1128373739.db2.gz ZDQPPTLBLVWUCN-IBGZPJMESA-N 1 1 292.382 3.522 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931927153 1128388793 /nfs/dbraw/zinc/38/87/93/1128388793.db2.gz QLARDZJOMDVOOL-PKOBYXMFSA-N 1 1 282.431 3.980 20 30 CHEDMO Cc1cc2cc(C[NH2+]Cc3ccc(C#N)cn3)oc2cc1C ZINC000780554572 1128394475 /nfs/dbraw/zinc/39/44/75/1128394475.db2.gz KLOBFZXLLBZBQT-UHFFFAOYSA-N 1 1 291.354 3.606 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000932149526 1128397063 /nfs/dbraw/zinc/39/70/63/1128397063.db2.gz ITBXRQCTDQUNOJ-SZMVWBNQSA-N 1 1 284.403 3.532 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000932149526 1128397065 /nfs/dbraw/zinc/39/70/65/1128397065.db2.gz ITBXRQCTDQUNOJ-SZMVWBNQSA-N 1 1 284.403 3.532 20 30 CHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932167368 1128397694 /nfs/dbraw/zinc/39/76/94/1128397694.db2.gz QSTLFXYFLXKBBJ-OAHLLOKOSA-N 1 1 280.456 3.986 20 30 CHEDMO C#CCCCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932195516 1128399262 /nfs/dbraw/zinc/39/92/62/1128399262.db2.gz GVJHLWRBIDQBLR-HNNXBMFYSA-N 1 1 276.449 3.591 20 30 CHEDMO COc1ccccc1-c1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000562391830 1128399466 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CC#CC[N@@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000572909295 1128649511 /nfs/dbraw/zinc/64/95/11/1128649511.db2.gz LCOOQKNKCDDNMG-LBPRGKRZSA-N 1 1 269.310 3.592 20 30 CHEDMO C=CCC(C)(C)c1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000573584242 1128656067 /nfs/dbraw/zinc/65/60/67/1128656067.db2.gz CKBLWHNCZQNNBZ-INIZCTEOSA-N 1 1 295.402 3.592 20 30 CHEDMO C=CCC(C)(C)c1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000573584242 1128656069 /nfs/dbraw/zinc/65/60/69/1128656069.db2.gz CKBLWHNCZQNNBZ-INIZCTEOSA-N 1 1 295.402 3.592 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000157450955 1128654964 /nfs/dbraw/zinc/65/49/64/1128654964.db2.gz OVYIZRWHZJODDF-HOCLYGCPSA-N 1 1 272.392 3.742 20 30 CHEDMO C[C@@H]1C[C@@H](Nc2cccc(C(F)F)c2C#N)C[N@H+]1C1CC1 ZINC000575002847 1128665653 /nfs/dbraw/zinc/66/56/53/1128665653.db2.gz ZJZVGQFOAGIUPO-GHMZBOCLSA-N 1 1 291.345 3.533 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1 ZINC000047740208 1128673232 /nfs/dbraw/zinc/67/32/32/1128673232.db2.gz 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/nfs/dbraw/zinc/40/52/21/1121405221.db2.gz OTLYNVWJIGGAGB-UHFFFAOYSA-N 1 1 261.413 3.808 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC12CCCCC2 ZINC000536236980 1121410113 /nfs/dbraw/zinc/41/01/13/1121410113.db2.gz DKQGEBUHNYQMHP-UHFFFAOYSA-N 1 1 284.403 3.866 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000419202380 1121415546 /nfs/dbraw/zinc/41/55/46/1121415546.db2.gz DJALPLKDLZFDCM-MOPGFXCFSA-N 1 1 298.430 3.575 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC1CCC1 ZINC000419202380 1121415548 /nfs/dbraw/zinc/41/55/48/1121415548.db2.gz DJALPLKDLZFDCM-MOPGFXCFSA-N 1 1 298.430 3.575 20 30 CHEDMO N#Cc1cc(F)cc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001175685261 1121432606 /nfs/dbraw/zinc/43/26/06/1121432606.db2.gz NBKQCEOYAABKRZ-UHFFFAOYSA-N 1 1 263.275 3.989 20 30 CHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)CCC(F)(F)F ZINC000676557756 1121443864 /nfs/dbraw/zinc/44/38/64/1121443864.db2.gz SZWFXJCGVYNDBF-UHFFFAOYSA-N 1 1 289.728 3.966 20 30 CHEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)CCC(F)(F)F ZINC000676557756 1121443866 /nfs/dbraw/zinc/44/38/66/1121443866.db2.gz SZWFXJCGVYNDBF-UHFFFAOYSA-N 1 1 289.728 3.966 20 30 CHEDMO CCCCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000509771315 1121479319 /nfs/dbraw/zinc/47/93/19/1121479319.db2.gz FHJIWMVAIZVPCZ-OAHLLOKOSA-N 1 1 274.408 3.847 20 30 CHEDMO CCCCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000509771315 1121479324 /nfs/dbraw/zinc/47/93/24/1121479324.db2.gz FHJIWMVAIZVPCZ-OAHLLOKOSA-N 1 1 274.408 3.847 20 30 CHEDMO C=CC[N@@H+](Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000432924997 1121483256 /nfs/dbraw/zinc/48/32/56/1121483256.db2.gz PSIPJNNXIWORLR-UHFFFAOYSA-N 1 1 262.353 3.586 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000432924997 1121483259 /nfs/dbraw/zinc/48/32/59/1121483259.db2.gz PSIPJNNXIWORLR-UHFFFAOYSA-N 1 1 262.353 3.586 20 30 CHEDMO CCOC1(C)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000428741507 1121495288 /nfs/dbraw/zinc/49/52/88/1121495288.db2.gz ZYFZZIFQAYOPKR-UHFFFAOYSA-N 1 1 291.822 3.583 20 30 CHEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166862 1121500793 /nfs/dbraw/zinc/50/07/93/1121500793.db2.gz FSPZSWJZUMVRFN-AWEZNQCLSA-N 1 1 258.409 3.966 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000034674282 1121514657 /nfs/dbraw/zinc/51/46/57/1121514657.db2.gz GBGWUAANLYTVBX-GASCZTMLSA-N 1 1 272.392 3.590 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000034674505 1121520100 /nfs/dbraw/zinc/52/01/00/1121520100.db2.gz DKVXTQMRSSXYND-MRXNPFEDSA-N 1 1 272.392 3.592 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001176069208 1121546886 /nfs/dbraw/zinc/54/68/86/1121546886.db2.gz HRMVPAGYVFNPSN-AWEZNQCLSA-N 1 1 291.822 3.972 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC001176068947 1121547280 /nfs/dbraw/zinc/54/72/80/1121547280.db2.gz FVLKCLIMDZFKSJ-CQSZACIVSA-N 1 1 286.806 3.640 20 30 CHEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@H+](C2CCC2)C1 ZINC000429396542 1121562783 /nfs/dbraw/zinc/56/27/83/1121562783.db2.gz BVVFRNYEURQWRM-INIZCTEOSA-N 1 1 291.483 3.513 20 30 CHEDMO C[C@@H]1CN(C2CCC2)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000429396542 1121562789 /nfs/dbraw/zinc/56/27/89/1121562789.db2.gz BVVFRNYEURQWRM-INIZCTEOSA-N 1 1 291.483 3.513 20 30 CHEDMO C[C@@H]1CN(C2CCC2)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000429396542 1121562795 /nfs/dbraw/zinc/56/27/95/1121562795.db2.gz BVVFRNYEURQWRM-INIZCTEOSA-N 1 1 291.483 3.513 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000429401023 1121563572 /nfs/dbraw/zinc/56/35/72/1121563572.db2.gz FFOCKXIAHYHLPF-JKSUJKDBSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CCCC[C@@H](C)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429401023 1121563576 /nfs/dbraw/zinc/56/35/76/1121563576.db2.gz FFOCKXIAHYHLPF-JKSUJKDBSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CCCC[C@@H](C)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429401023 1121563579 /nfs/dbraw/zinc/56/35/79/1121563579.db2.gz FFOCKXIAHYHLPF-JKSUJKDBSA-N 1 1 264.457 3.537 20 30 CHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCCSCC#N)c(C)c1 ZINC000466726239 1121573980 /nfs/dbraw/zinc/57/39/80/1121573980.db2.gz GZEFBKWEYJTFHY-OAHLLOKOSA-N 1 1 276.449 3.943 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000512811982 1121610501 /nfs/dbraw/zinc/61/05/01/1121610501.db2.gz NXEWYGHDDXIBMK-FHERZECASA-N 1 1 251.414 3.622 20 30 CHEDMO C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)CCS1 ZINC000411629352 1121613525 /nfs/dbraw/zinc/61/35/25/1121613525.db2.gz CNMGPSJWAJGSHL-AWEZNQCLSA-N 1 1 266.454 3.678 20 30 CHEDMO N#Cc1csc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000433201289 1121615111 /nfs/dbraw/zinc/61/51/11/1121615111.db2.gz LMPKCTMWFVACRT-UHFFFAOYSA-N 1 1 298.745 3.841 20 30 CHEDMO CCCCCCCCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001624166491 1121623547 /nfs/dbraw/zinc/62/35/47/1121623547.db2.gz VAKULAUMIHJBAG-JKSUJKDBSA-N 1 1 282.472 3.678 20 30 CHEDMO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc(C#N)cs1 ZINC000611262730 1121632692 /nfs/dbraw/zinc/63/26/92/1121632692.db2.gz MTFRPLALGJQYCZ-GFCCVEGCSA-N 1 1 284.384 3.575 20 30 CHEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000611262730 1121632695 /nfs/dbraw/zinc/63/26/95/1121632695.db2.gz MTFRPLALGJQYCZ-GFCCVEGCSA-N 1 1 284.384 3.575 20 30 CHEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000611268922 1121633401 /nfs/dbraw/zinc/63/34/01/1121633401.db2.gz HIUVNRNQKSPIAS-KRWDZBQOSA-N 1 1 296.370 3.887 20 30 CHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000611268922 1121633402 /nfs/dbraw/zinc/63/34/02/1121633402.db2.gz HIUVNRNQKSPIAS-KRWDZBQOSA-N 1 1 296.370 3.887 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000611373240 1121640703 /nfs/dbraw/zinc/64/07/03/1121640703.db2.gz RUKACCCIRKQQHB-HOTGVXAUSA-N 1 1 281.440 3.787 20 30 CHEDMO CCC(C)(C)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509870194 1121661358 /nfs/dbraw/zinc/66/13/58/1121661358.db2.gz ZBUDDWAIMKNIDU-CQSZACIVSA-N 1 1 258.409 3.966 20 30 CHEDMO CCC(C)(C)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509870194 1121661361 /nfs/dbraw/zinc/66/13/61/1121661361.db2.gz ZBUDDWAIMKNIDU-CQSZACIVSA-N 1 1 258.409 3.966 20 30 CHEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(F)c(C#N)c2)cc1 ZINC001176616133 1121661482 /nfs/dbraw/zinc/66/14/82/1121661482.db2.gz XTIIXSXOEWTQQN-UHFFFAOYSA-N 1 1 292.317 3.935 20 30 CHEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000015548878 1121679523 /nfs/dbraw/zinc/67/95/23/1121679523.db2.gz GKJIOYVYEMHKEZ-CYBMUJFWSA-N 1 1 295.342 3.659 20 30 CHEDMO C=CCC[C@@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC001176767615 1121693928 /nfs/dbraw/zinc/69/39/28/1121693928.db2.gz OSZBXNWHLOFOIS-QGZVFWFLSA-N 1 1 271.404 3.595 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccncc1Br ZINC001176797981 1121694529 /nfs/dbraw/zinc/69/45/29/1121694529.db2.gz IQPHIPXDQWTRLW-UHFFFAOYSA-N 1 1 283.213 3.632 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cccc(COC)c1 ZINC001176771601 1121694719 /nfs/dbraw/zinc/69/47/19/1121694719.db2.gz NKKSEXSPATXAPF-KRWDZBQOSA-N 1 1 259.393 3.764 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000811516798 1121696896 /nfs/dbraw/zinc/69/68/96/1121696896.db2.gz VIXDKNZDAPGGSL-INIZCTEOSA-N 1 1 273.738 3.943 20 30 CHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC001176798573 1121697584 /nfs/dbraw/zinc/69/75/84/1121697584.db2.gz SXDGCVFJXMPAKD-ZDUSSCGKSA-N 1 1 294.826 3.955 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1F ZINC000483515711 1121703163 /nfs/dbraw/zinc/70/31/63/1121703163.db2.gz FDFUMKJXFXZWKM-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000614403409 1121711038 /nfs/dbraw/zinc/71/10/38/1121711038.db2.gz WZFBRIFHVZLDFM-HNNXBMFYSA-N 1 1 268.404 3.879 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000437573906 1121733883 /nfs/dbraw/zinc/73/38/83/1121733883.db2.gz COCVRWWLLJNAJX-AUUYWEPGSA-N 1 1 292.382 3.760 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000437573906 1121733887 /nfs/dbraw/zinc/73/38/87/1121733887.db2.gz COCVRWWLLJNAJX-AUUYWEPGSA-N 1 1 292.382 3.760 20 30 CHEDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000773734344 1121774137 /nfs/dbraw/zinc/77/41/37/1121774137.db2.gz QUWINXLHAWWXPG-UHFFFAOYSA-N 1 1 293.414 3.646 20 30 CHEDMO C=CCC[N@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000467285740 1121808372 /nfs/dbraw/zinc/80/83/72/1121808372.db2.gz KLYBPVIVSHCMHN-UHFFFAOYSA-N 1 1 296.414 3.701 20 30 CHEDMO N#CCC1(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000430015838 1121825701 /nfs/dbraw/zinc/82/57/01/1121825701.db2.gz BXGSXVFDMRKZKR-UHFFFAOYSA-N 1 1 283.400 3.594 20 30 CHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000467291260 1121840925 /nfs/dbraw/zinc/84/09/25/1121840925.db2.gz VJUJPFDAYRLAIX-OAHLLOKOSA-N 1 1 296.414 3.525 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000619784257 1129013228 /nfs/dbraw/zinc/01/32/28/1129013228.db2.gz IEVFDZLVVSEQMA-LJQANCHMSA-N 1 1 294.373 3.937 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1cccc(C#N)c1 ZINC000345306984 1121871358 /nfs/dbraw/zinc/87/13/58/1121871358.db2.gz RKDHAGUMEGOZHE-NEPJUHHUSA-N 1 1 297.427 3.915 20 30 CHEDMO C#CC[N@@H+](Cn1ccc(-c2cccs2)n1)C1CCCCC1 ZINC000731661157 1121876247 /nfs/dbraw/zinc/87/62/47/1121876247.db2.gz DGWVQFDMMNMTBN-UHFFFAOYSA-N 1 1 299.443 3.837 20 30 CHEDMO CCCCCCCC[C@@H](CO)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC001179772138 1121906051 /nfs/dbraw/zinc/90/60/51/1121906051.db2.gz WVUWOXKWTLFSKP-SJORKVTESA-N 1 1 298.515 3.560 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1F)C(C)C ZINC001179997478 1121934465 /nfs/dbraw/zinc/93/44/65/1121934465.db2.gz NRABIJPHVHZRRD-UHFFFAOYSA-N 1 1 273.298 3.824 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000501254653 1121964258 /nfs/dbraw/zinc/96/42/58/1121964258.db2.gz SGUJJOIEHADNJU-RDJZCZTQSA-N 1 1 284.403 3.721 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501255195 1121965292 /nfs/dbraw/zinc/96/52/92/1121965292.db2.gz BEOMPFKJPIBATL-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C#CC[N@@H+](Cc1cnc(F)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001180295827 1121977021 /nfs/dbraw/zinc/97/70/21/1121977021.db2.gz AVGGBDFIDJCDKU-GOSISDBHSA-N 1 1 294.373 3.652 20 30 CHEDMO C#CC[N@H+](Cc1cnc(F)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001180295827 1121977023 /nfs/dbraw/zinc/97/70/23/1121977023.db2.gz AVGGBDFIDJCDKU-GOSISDBHSA-N 1 1 294.373 3.652 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC001180364319 1121985235 /nfs/dbraw/zinc/98/52/35/1121985235.db2.gz SFSSQAWQHOVERI-MRXNPFEDSA-N 1 1 287.451 3.904 20 30 CHEDMO N#CC1(C[N@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000501536945 1121986218 /nfs/dbraw/zinc/98/62/18/1121986218.db2.gz AIKYVXYBWUROPS-MRXNPFEDSA-N 1 1 254.377 3.907 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000733614751 1122000229 /nfs/dbraw/zinc/00/02/29/1122000229.db2.gz ZAAGFYRHAOFRFW-HNNXBMFYSA-N 1 1 294.236 3.949 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000733614751 1122000230 /nfs/dbraw/zinc/00/02/30/1122000230.db2.gz ZAAGFYRHAOFRFW-HNNXBMFYSA-N 1 1 294.236 3.949 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(C(F)F)c1 ZINC001180896598 1122024262 /nfs/dbraw/zinc/02/42/62/1122024262.db2.gz IHMMDGOWDPWTEY-UHFFFAOYSA-N 1 1 290.288 3.925 20 30 CHEDMO CCCCCCC[C@H](C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001181120604 1122036851 /nfs/dbraw/zinc/03/68/51/1122036851.db2.gz JBLHVTPJBIXXCI-IRXDYDNUSA-N 1 1 296.499 3.831 20 30 CHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCC#N ZINC000420931390 1122044845 /nfs/dbraw/zinc/04/48/45/1122044845.db2.gz UARATQXQTIBTQL-INIZCTEOSA-N 1 1 260.356 3.526 20 30 CHEDMO C=CCOCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421019562 1122064453 /nfs/dbraw/zinc/06/44/53/1122064453.db2.gz YGAFNRHEXTWTIR-ZDUSSCGKSA-N 1 1 253.411 3.722 20 30 CHEDMO Cc1cc(C[N@@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1C#N ZINC001181753545 1122074035 /nfs/dbraw/zinc/07/40/35/1122074035.db2.gz PYDUYGKLHQHQJW-MSOLQXFVSA-N 1 1 270.420 3.979 20 30 CHEDMO CCCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502505153 1122094262 /nfs/dbraw/zinc/09/42/62/1122094262.db2.gz DJEYNZUVALXDNS-UHFFFAOYSA-N 1 1 254.377 3.838 20 30 CHEDMO C#C[C@H]([NH2+]Cc1csc(C)c1C)c1ccc(F)cc1 ZINC001182021192 1122107353 /nfs/dbraw/zinc/10/73/53/1122107353.db2.gz SMHQOOKYYBAKIZ-INIZCTEOSA-N 1 1 273.376 3.968 20 30 CHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000421391369 1122111036 /nfs/dbraw/zinc/11/10/36/1122111036.db2.gz ALGVYXQEBBKORM-QGZVFWFLSA-N 1 1 280.371 3.919 20 30 CHEDMO Cn1cccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001203263903 1122112131 /nfs/dbraw/zinc/11/21/31/1122112131.db2.gz LMSRBKWQYHGNLB-UHFFFAOYSA-N 1 1 273.424 3.854 20 30 CHEDMO Cn1cccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001203263903 1122112134 /nfs/dbraw/zinc/11/21/34/1122112134.db2.gz LMSRBKWQYHGNLB-UHFFFAOYSA-N 1 1 273.424 3.854 20 30 CHEDMO C=CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)s1 ZINC000502727464 1122144506 /nfs/dbraw/zinc/14/45/06/1122144506.db2.gz ZSWDAAALAGJSEP-ZDUSSCGKSA-N 1 1 298.883 3.874 20 30 CHEDMO C=CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Cl)s1 ZINC000502727463 1122144752 /nfs/dbraw/zinc/14/47/52/1122144752.db2.gz ZSWDAAALAGJSEP-CYBMUJFWSA-N 1 1 298.883 3.874 20 30 CHEDMO Fc1cccc(CN[NH+]=C2CCCNc3ccccc32)c1 ZINC000774366566 1122157074 /nfs/dbraw/zinc/15/70/74/1122157074.db2.gz BCOJUWKJUMWPRJ-UHFFFAOYSA-N 1 1 283.350 3.525 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc(C)n1 ZINC001182500885 1122171329 /nfs/dbraw/zinc/17/13/29/1122171329.db2.gz WOMXAZZGMAPRDZ-OAHLLOKOSA-N 1 1 279.387 3.763 20 30 CHEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CC1(C)C ZINC001183075361 1122203562 /nfs/dbraw/zinc/20/35/62/1122203562.db2.gz RHHKBRXXFDSFHL-INIZCTEOSA-N 1 1 270.420 3.966 20 30 CHEDMO C=C(C)C[C@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OCC ZINC001183552052 1122228430 /nfs/dbraw/zinc/22/84/30/1122228430.db2.gz ZHACOYFPVOQMHG-JCYILVPMSA-N 1 1 293.451 3.833 20 30 CHEDMO C=C(C)C[C@@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OCC ZINC001183551673 1122228664 /nfs/dbraw/zinc/22/86/64/1122228664.db2.gz SSPTYAPILMSQDI-HUUCEWRRSA-N 1 1 269.429 3.689 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc2ccncc2s1 ZINC001184036298 1122252556 /nfs/dbraw/zinc/25/25/56/1122252556.db2.gz 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C=C(C)C[N@H+](CC)Cc1conc1Cc1ccccc1 ZINC000506880949 1122910060 /nfs/dbraw/zinc/91/00/60/1122910060.db2.gz LUBIFKGBNLYTJS-UHFFFAOYSA-N 1 1 270.376 3.663 20 30 CHEDMO C=CC[N@H+](CCCOCCc1ccccc1)C(C)(C)C ZINC001196198648 1122911104 /nfs/dbraw/zinc/91/11/04/1122911104.db2.gz PKGDTVPQKODUFE-UHFFFAOYSA-N 1 1 275.436 3.922 20 30 CHEDMO N#Cc1ccnc(C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC001196236285 1122913806 /nfs/dbraw/zinc/91/38/06/1122913806.db2.gz ALJJFMKXWXRDHF-UHFFFAOYSA-N 1 1 295.361 3.505 20 30 CHEDMO N#Cc1ccnc(C[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC001196236285 1122913811 /nfs/dbraw/zinc/91/38/11/1122913811.db2.gz ALJJFMKXWXRDHF-UHFFFAOYSA-N 1 1 295.361 3.505 20 30 CHEDMO C=CC[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC001196442138 1122920919 /nfs/dbraw/zinc/92/09/19/1122920919.db2.gz NYNHJIBTHQHWAW-LBPRGKRZSA-N 1 1 283.387 3.955 20 30 CHEDMO CCc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000507151198 1122933807 /nfs/dbraw/zinc/93/38/07/1122933807.db2.gz BMVOZUBANHEBLU-UHFFFAOYSA-N 1 1 299.443 3.988 20 30 CHEDMO CCCCCCCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC001196809791 1122934405 /nfs/dbraw/zinc/93/44/05/1122934405.db2.gz XBIGPADAJMDHQK-CYBMUJFWSA-N 1 1 263.372 3.703 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1F ZINC000507251959 1122942588 /nfs/dbraw/zinc/94/25/88/1122942588.db2.gz KWENWISFWZIMDX-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1F ZINC000507251959 1122942592 /nfs/dbraw/zinc/94/25/92/1122942592.db2.gz KWENWISFWZIMDX-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001197701154 1122966321 /nfs/dbraw/zinc/96/63/21/1122966321.db2.gz DBWHVDBWXGDJOJ-QWHCGFSZSA-N 1 1 297.320 3.991 20 30 CHEDMO C=CCCC[N@@H+]1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001197872689 1122971197 /nfs/dbraw/zinc/97/11/97/1122971197.db2.gz SIRMILITPGJEFN-HNNXBMFYSA-N 1 1 296.455 3.674 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001197873229 1122971373 /nfs/dbraw/zinc/97/13/73/1122971373.db2.gz XQUNNYNAICDULM-HNNXBMFYSA-N 1 1 296.455 3.674 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCCNC(=O)[C@H]1CC ZINC001198049879 1122978863 /nfs/dbraw/zinc/97/88/63/1122978863.db2.gz AWNMMOAOHFFCPS-MRXNPFEDSA-N 1 1 282.472 3.728 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1CCc1c(F)cccc1F ZINC001198414358 1122990470 /nfs/dbraw/zinc/99/04/70/1122990470.db2.gz NOUBMEXROGTTTO-ZDUSSCGKSA-N 1 1 265.347 3.938 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1csc([C@@H](C)OC)n1 ZINC001198407128 1122990609 /nfs/dbraw/zinc/99/06/09/1122990609.db2.gz QFSXEFMTZSHYOI-OCCSQVGLSA-N 1 1 280.437 3.781 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001198414382 1122990739 /nfs/dbraw/zinc/99/07/39/1122990739.db2.gz PBPBORUNCABCIR-KRWDZBQOSA-N 1 1 272.436 3.992 20 30 CHEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1ccc(C)c(F)c1 ZINC001198458623 1122992518 /nfs/dbraw/zinc/99/25/18/1122992518.db2.gz XKNZERJNLMOQBT-UHFFFAOYSA-N 1 1 292.398 3.751 20 30 CHEDMO C[N@H+](Cc1cc2c(cccc2O)s1)CC(C)(C)C#N ZINC000894857842 1122992514 /nfs/dbraw/zinc/99/25/14/1122992514.db2.gz RRUZLUNEMYPGEA-UHFFFAOYSA-N 1 1 274.389 3.588 20 30 CHEDMO C[N@@H+](Cc1cc2c(cccc2O)s1)CC(C)(C)C#N ZINC000894857842 1122992517 /nfs/dbraw/zinc/99/25/17/1122992517.db2.gz RRUZLUNEMYPGEA-UHFFFAOYSA-N 1 1 274.389 3.588 20 30 CHEDMO Cc1ccccc1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000141210960 1123057774 /nfs/dbraw/zinc/05/77/74/1123057774.db2.gz JBFJFBFXTHFESI-UHFFFAOYSA-N 1 1 289.382 3.751 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000141210960 1123057780 /nfs/dbraw/zinc/05/77/80/1123057780.db2.gz JBFJFBFXTHFESI-UHFFFAOYSA-N 1 1 289.382 3.751 20 30 CHEDMO CCCCCCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001201631681 1123130134 /nfs/dbraw/zinc/13/01/34/1123130134.db2.gz XMHYJTVCUVMDTP-IRXDYDNUSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201737508 1123143504 /nfs/dbraw/zinc/14/35/04/1123143504.db2.gz RAHCGQBSWHHIIR-QGZVFWFLSA-N 1 1 272.392 3.592 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001201761553 1123147471 /nfs/dbraw/zinc/14/74/71/1123147471.db2.gz JJZGHKWEDPYWAN-CQSZACIVSA-N 1 1 265.401 3.528 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc2ccccn12 ZINC001201761951 1123148438 /nfs/dbraw/zinc/14/84/38/1123148438.db2.gz WUQCUFFJAXYISH-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201761675 1123148520 /nfs/dbraw/zinc/14/85/20/1123148520.db2.gz NXSZFNVPJFXVED-ZIAGYGMSSA-N 1 1 295.389 3.982 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201761673 1123148540 /nfs/dbraw/zinc/14/85/40/1123148540.db2.gz NXSZFNVPJFXVED-KGLIPLIRSA-N 1 1 295.389 3.982 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2cc(CO)ccc2C1 ZINC001201804121 1123150147 /nfs/dbraw/zinc/15/01/47/1123150147.db2.gz BVXLBVWOVUNXHP-UHFFFAOYSA-N 1 1 275.436 3.898 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001201853038 1123152148 /nfs/dbraw/zinc/15/21/48/1123152148.db2.gz YTRKJVHDCVNENW-RCCFBDPRSA-N 1 1 297.483 3.599 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001201852668 1123152174 /nfs/dbraw/zinc/15/21/74/1123152174.db2.gz GXOXXUWLXOEGCC-HOTGVXAUSA-N 1 1 291.426 3.872 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001201852700 1123152300 /nfs/dbraw/zinc/15/23/00/1123152300.db2.gz HLODBAOKYYYYJA-HZPDHXFCSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201852617 1123152365 /nfs/dbraw/zinc/15/23/65/1123152365.db2.gz DWRKRJTXASAJOM-DLBZAZTESA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC001201852724 1123152447 /nfs/dbraw/zinc/15/24/47/1123152447.db2.gz IEGPNCQKTQTZFO-UHFFFAOYSA-N 1 1 265.445 3.993 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001201825681 1123153273 /nfs/dbraw/zinc/15/32/73/1123153273.db2.gz CPDKMCMVQDKICF-OAHLLOKOSA-N 1 1 269.429 3.622 20 30 CHEDMO CCCCCCCCC[NH+]1CC(N2CCCC2)C1 ZINC001201847161 1123155805 /nfs/dbraw/zinc/15/58/05/1123155805.db2.gz RYJSMNDPJYYJCO-UHFFFAOYSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCN(C)[C@H](C)C1 ZINC001201874661 1123156613 /nfs/dbraw/zinc/15/66/13/1123156613.db2.gz BSMOHIVBSOBMKR-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000054179091 1123173611 /nfs/dbraw/zinc/17/36/11/1123173611.db2.gz NUJWSJJNNCEZJP-VIFPVBQESA-N 1 1 274.311 3.548 20 30 CHEDMO C#CC[N@H+](CCCC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC001202425070 1123206789 /nfs/dbraw/zinc/20/67/89/1123206789.db2.gz UOJQMTPHPYFLIH-OAHLLOKOSA-N 1 1 281.321 3.952 20 30 CHEDMO N#CCCOCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000338927011 1123232113 /nfs/dbraw/zinc/23/21/13/1123232113.db2.gz VHLLYKLUVURRMH-UHFFFAOYSA-N 1 1 294.398 3.734 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000343447514 1123242059 /nfs/dbraw/zinc/24/20/59/1123242059.db2.gz SWPQPOGZRIOGSU-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)o1 ZINC000507872015 1123242955 /nfs/dbraw/zinc/24/29/55/1123242955.db2.gz BGERPAXNDVODSP-HLRDLLSLSA-N 1 1 278.355 3.829 20 30 CHEDMO CC(=NOCC(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779781610 1129109408 /nfs/dbraw/zinc/10/94/08/1129109408.db2.gz FBPSXLACDPPSOT-KRWDZBQOSA-N 1 1 274.408 3.557 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)ccc1C#N ZINC000442805116 1123339031 /nfs/dbraw/zinc/33/90/31/1123339031.db2.gz XXINFAIOYSTYFB-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1cc(C[N@@H+]([C@H](C)C(C)C)C2CC2)ccc1C#N ZINC000442808519 1123341458 /nfs/dbraw/zinc/34/14/58/1123341458.db2.gz HQRBUASTURGOIT-CYBMUJFWSA-N 1 1 272.392 3.576 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000851772601 1123378866 /nfs/dbraw/zinc/37/88/66/1123378866.db2.gz BQERCJSJYHXHQR-HXUWFJFHSA-N 1 1 290.410 3.590 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000852098314 1123397186 /nfs/dbraw/zinc/39/71/86/1123397186.db2.gz JSOBAJRQQJGDJC-INIZCTEOSA-N 1 1 288.778 3.887 20 30 CHEDMO C#CC[N@H+](Cc1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000797590256 1123401168 /nfs/dbraw/zinc/40/11/68/1123401168.db2.gz QKURWNNAOYQGCP-UHFFFAOYSA-N 1 1 276.811 3.811 20 30 CHEDMO CC[C@H](C)[N@@H+](CC)Cc1cc(Cl)ccc1OCC#N ZINC000852293606 1123401572 /nfs/dbraw/zinc/40/15/72/1123401572.db2.gz PGUTVOBRXKCUAA-LBPRGKRZSA-N 1 1 280.799 3.863 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCC2CCCC2)C1 ZINC000852329639 1123403123 /nfs/dbraw/zinc/40/31/23/1123403123.db2.gz FUUNBAYOITWCFH-IBGZPJMESA-N 1 1 297.446 3.909 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC000852329639 1123403125 /nfs/dbraw/zinc/40/31/25/1123403125.db2.gz FUUNBAYOITWCFH-IBGZPJMESA-N 1 1 297.446 3.909 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331728 1123403346 /nfs/dbraw/zinc/40/33/46/1123403346.db2.gz BZIKUCHOWDVROW-SFHVURJKSA-N 1 1 283.419 3.685 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331728 1123403347 /nfs/dbraw/zinc/40/33/47/1123403347.db2.gz BZIKUCHOWDVROW-SFHVURJKSA-N 1 1 283.419 3.685 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000852411985 1123404459 /nfs/dbraw/zinc/40/44/59/1123404459.db2.gz XOKOMCDGIVFQDR-GFCCVEGCSA-N 1 1 295.224 3.632 20 30 CHEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000852554573 1123409013 /nfs/dbraw/zinc/40/90/13/1123409013.db2.gz RRNWDSRJUAPKRO-SNVBAGLBSA-N 1 1 250.213 3.857 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nc(Cl)c1 ZINC000852687389 1123412840 /nfs/dbraw/zinc/41/28/40/1123412840.db2.gz JZIHIPUEXNMSAQ-OKILXGFUSA-N 1 1 262.784 3.726 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000852761208 1123414863 /nfs/dbraw/zinc/41/48/63/1123414863.db2.gz IJTYRJNFSGYDCE-UHFFFAOYSA-N 1 1 292.357 3.818 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852761208 1123414866 /nfs/dbraw/zinc/41/48/66/1123414866.db2.gz IJTYRJNFSGYDCE-UHFFFAOYSA-N 1 1 292.357 3.818 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc3c2NCCC3)CCCCC1 ZINC000895280223 1123437982 /nfs/dbraw/zinc/43/79/82/1123437982.db2.gz OXAJXXQBIBQPGX-UHFFFAOYSA-N 1 1 283.419 3.608 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895390704 1123474072 /nfs/dbraw/zinc/47/40/72/1123474072.db2.gz PPMVCWRGVDYSIH-NSHDSACASA-N 1 1 290.819 3.795 20 30 CHEDMO N#CCC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025288168 1123481640 /nfs/dbraw/zinc/48/16/40/1123481640.db2.gz CPVIJTSILXWKQJ-SFHVURJKSA-N 1 1 262.356 3.548 20 30 CHEDMO N#CCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025288168 1123481641 /nfs/dbraw/zinc/48/16/41/1123481641.db2.gz CPVIJTSILXWKQJ-SFHVURJKSA-N 1 1 262.356 3.548 20 30 CHEDMO C=C(C)C[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000509477083 1123489088 /nfs/dbraw/zinc/48/90/88/1123489088.db2.gz DESLKMDHPVNUDC-UHFFFAOYSA-N 1 1 257.377 3.751 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000025439066 1123528669 /nfs/dbraw/zinc/52/86/69/1123528669.db2.gz DKSPHTIQTPZFHB-LJQANCHMSA-N 1 1 276.383 3.765 20 30 CHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CCCC#N ZINC000147790827 1123532868 /nfs/dbraw/zinc/53/28/68/1123532868.db2.gz QATVHEMWPKIPKF-UHFFFAOYSA-N 1 1 291.826 3.544 20 30 CHEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776852019 1123543567 /nfs/dbraw/zinc/54/35/67/1123543567.db2.gz PWJVFKDEJPXOMC-KSZLIROESA-N 1 1 253.389 3.668 20 30 CHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000157456531 1129128591 /nfs/dbraw/zinc/12/85/91/1129128591.db2.gz IMUCRINBZQAXEK-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCOCCC#N ZINC000338994489 1123559831 /nfs/dbraw/zinc/55/98/31/1123559831.db2.gz WHZNQQSJVHKPRB-QGZVFWFLSA-N 1 1 274.408 3.554 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000157683726 1129132483 /nfs/dbraw/zinc/13/24/83/1129132483.db2.gz MGHKJLXEVDYWPU-OAHLLOKOSA-N 1 1 272.392 3.601 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017117 1123629050 /nfs/dbraw/zinc/62/90/50/1123629050.db2.gz KXMPOBMNJLKWHH-KRWDZBQOSA-N 1 1 286.419 3.768 20 30 CHEDMO C=C1CC(c2noc([C@@H](c3ccccc3)[NH+](CC)CC)n2)C1 ZINC000896876125 1123653388 /nfs/dbraw/zinc/65/33/88/1123653388.db2.gz CPDORUSMOIJQLJ-MRXNPFEDSA-N 1 1 297.402 3.934 20 30 CHEDMO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346159953 1123668972 /nfs/dbraw/zinc/66/89/72/1123668972.db2.gz BOKNZCRTVYTMJV-MNOVXSKESA-N 1 1 289.379 3.874 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000859444324 1123698302 /nfs/dbraw/zinc/69/83/02/1123698302.db2.gz KDKCVQOIXBNRHL-IUODEOHRSA-N 1 1 299.336 3.637 20 30 CHEDMO CC[N@H+](CCC#N)[C@H](C)c1cccc(Br)c1 ZINC000346665785 1123705816 /nfs/dbraw/zinc/70/58/16/1123705816.db2.gz IKXMOTGBYUZJEA-LLVKDONJSA-N 1 1 281.197 3.746 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)c1cccc(Br)c1 ZINC000346665785 1123705819 /nfs/dbraw/zinc/70/58/19/1123705819.db2.gz IKXMOTGBYUZJEA-LLVKDONJSA-N 1 1 281.197 3.746 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859886569 1123714645 /nfs/dbraw/zinc/71/46/45/1123714645.db2.gz JEMJAPZJCDRXTK-GJYPPUQNSA-N 1 1 285.497 3.722 20 30 CHEDMO CCOc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000428331915 1123769378 /nfs/dbraw/zinc/76/93/78/1123769378.db2.gz QSSOGHYWBOYHPU-ZDUSSCGKSA-N 1 1 298.361 3.947 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2[nH]ccc2c1 ZINC000862212149 1123791643 /nfs/dbraw/zinc/79/16/43/1123791643.db2.gz HIBYYAYVONXUHE-UHFFFAOYSA-N 1 1 255.365 3.540 20 30 CHEDMO C=C(C)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000104058712 1123794018 /nfs/dbraw/zinc/79/40/18/1123794018.db2.gz VAZYLSAEZVOADD-UHFFFAOYSA-N 1 1 287.382 3.656 20 30 CHEDMO Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001141988230 1123796408 /nfs/dbraw/zinc/79/64/08/1123796408.db2.gz MUMTXGDAYDJKNK-HNNXBMFYSA-N 1 1 295.386 3.776 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000862445248 1123811546 /nfs/dbraw/zinc/81/15/46/1123811546.db2.gz PEFXBWDXQYGQSZ-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000862445083 1123811772 /nfs/dbraw/zinc/81/17/72/1123811772.db2.gz LMJDBTMDBGCNKL-ZDUSSCGKSA-N 1 1 299.805 3.575 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)cc1 ZINC000763645379 1129148167 /nfs/dbraw/zinc/14/81/67/1129148167.db2.gz DOYDFECGTYHKJO-INIZCTEOSA-N 1 1 283.415 3.853 20 30 CHEDMO Clc1cccc([C@H]2CCC(=[NH+]n3cccn3)C2)c1 ZINC000863163621 1123848075 /nfs/dbraw/zinc/84/80/75/1123848075.db2.gz KTBIGCWLLDDQCX-LBPRGKRZSA-N 1 1 259.740 3.708 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396369627 1123856422 /nfs/dbraw/zinc/85/64/22/1123856422.db2.gz BTAQVKLWDYASQN-QGZVFWFLSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000396369627 1123856426 /nfs/dbraw/zinc/85/64/26/1123856426.db2.gz BTAQVKLWDYASQN-QGZVFWFLSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000396369627 1123856429 /nfs/dbraw/zinc/85/64/29/1123856429.db2.gz BTAQVKLWDYASQN-QGZVFWFLSA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000794523967 1123866061 /nfs/dbraw/zinc/86/60/61/1123866061.db2.gz 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C=CC[C@@H]1[N@H+](CCOCC(F)(F)F)CCCC1(C)C ZINC000444787821 1124064922 /nfs/dbraw/zinc/06/49/22/1124064922.db2.gz SKLUIBHIHXWZND-LBPRGKRZSA-N 1 1 279.346 3.632 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428379975 1124069075 /nfs/dbraw/zinc/06/90/75/1124069075.db2.gz KNPQXUCOHLVTFE-UHFFFAOYSA-N 1 1 288.372 3.941 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1cccc(F)c1C#N ZINC000428398476 1124079273 /nfs/dbraw/zinc/07/92/73/1124079273.db2.gz FMYPSRYREUSHCZ-UHFFFAOYSA-N 1 1 288.391 3.823 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445890396 1124106400 /nfs/dbraw/zinc/10/64/00/1124106400.db2.gz MZIYPRJWJLAMKC-CYBMUJFWSA-N 1 1 296.208 3.781 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@H]2CCCC[C@@H]12 ZINC000525308579 1124121954 /nfs/dbraw/zinc/12/19/54/1124121954.db2.gz VTIWOGQBSDYBMH-ILXRZTDVSA-N 1 1 266.454 3.534 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccn(C(F)F)n2)CCCC1(C)C ZINC000446856299 1124125992 /nfs/dbraw/zinc/12/59/92/1124125992.db2.gz NCTJKOJMBOFOQU-CYBMUJFWSA-N 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C=C[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449192880 1124663981 /nfs/dbraw/zinc/66/39/81/1124663981.db2.gz RSMTYUQIZYBPAC-AWEZNQCLSA-N 1 1 266.473 3.830 20 30 CHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2ccccc2)no1 ZINC000872180486 1124698266 /nfs/dbraw/zinc/69/82/66/1124698266.db2.gz SMBBPEDJWKKXNW-LBPRGKRZSA-N 1 1 291.782 3.538 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)s1 ZINC000872262222 1124701935 /nfs/dbraw/zinc/70/19/35/1124701935.db2.gz UNLXRUVNVXYZNU-AWEZNQCLSA-N 1 1 290.432 3.543 20 30 CHEDMO COc1cccc([C@H]2C[N@@H+](CC3(C#N)CCC3)CC2(C)C)c1 ZINC000528621125 1124714141 /nfs/dbraw/zinc/71/41/41/1124714141.db2.gz UDBKMLCTISXCSF-QGZVFWFLSA-N 1 1 298.430 3.814 20 30 CHEDMO COc1cccc([C@@H]2C[N@H+]([C@H](C)CCC#N)CC2(C)C)c1 ZINC000528624219 1124714452 /nfs/dbraw/zinc/71/44/52/1124714452.db2.gz LPDWRHVYIVBVPT-PBHICJAKSA-N 1 1 286.419 3.813 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1cccc(Cl)c1Cl ZINC000124494338 1124766074 /nfs/dbraw/zinc/76/60/74/1124766074.db2.gz 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C#CCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000766905247 1129770524 /nfs/dbraw/zinc/77/05/24/1129770524.db2.gz IORSSYZEKHHWSU-AWEZNQCLSA-N 1 1 288.460 3.615 20 30 CHEDMO C#CCCC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000766904900 1129770690 /nfs/dbraw/zinc/77/06/90/1129770690.db2.gz DTGXAIQFRBALSZ-GOEBONIOSA-N 1 1 259.418 3.578 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](OC)c1ccc(F)cc1 ZINC001460041098 1129831645 /nfs/dbraw/zinc/83/16/45/1129831645.db2.gz HJCYDTJWHQFVKK-JKSUJKDBSA-N 1 1 263.356 3.554 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000768153455 1129836084 /nfs/dbraw/zinc/83/60/84/1129836084.db2.gz GKTUPGCEYWPTQQ-UHFFFAOYSA-N 1 1 272.392 3.623 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000768153455 1129836089 /nfs/dbraw/zinc/83/60/89/1129836089.db2.gz GKTUPGCEYWPTQQ-UHFFFAOYSA-N 1 1 272.392 3.623 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cnc1Cl ZINC000768262166 1129848385 /nfs/dbraw/zinc/84/83/85/1129848385.db2.gz HGSCRZHPZREGCW-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO C=C(Cl)C[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466902 1129875231 /nfs/dbraw/zinc/87/52/31/1129875231.db2.gz JLTRFQBKJRCXLP-CQSZACIVSA-N 1 1 294.826 3.868 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1C#N ZINC001137703107 1131404289 /nfs/dbraw/zinc/40/42/89/1131404289.db2.gz DPYKHBDHGNJCGH-MRXNPFEDSA-N 1 1 272.392 3.721 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(C#N)c1 ZINC001137703716 1131404609 /nfs/dbraw/zinc/40/46/09/1131404609.db2.gz UOKJYVWYBMXDHM-LJQANCHMSA-N 1 1 292.382 3.904 20 30 CHEDMO CCCCCCCC[N@H+](C)Cc1csnc1OC ZINC001460829252 1129885052 /nfs/dbraw/zinc/88/50/52/1129885052.db2.gz AANPYLCVIVLORU-UHFFFAOYSA-N 1 1 270.442 3.944 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1csnc1OC ZINC001460829252 1129885057 /nfs/dbraw/zinc/88/50/57/1129885057.db2.gz AANPYLCVIVLORU-UHFFFAOYSA-N 1 1 270.442 3.944 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CC)CCc2ccccn2)c1 ZINC000769034501 1129887649 /nfs/dbraw/zinc/88/76/49/1129887649.db2.gz RDBHSMQELSGYRK-UHFFFAOYSA-N 1 1 296.414 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1129987264 /nfs/dbraw/zinc/98/72/64/1129987264.db2.gz FEVOORAJJOFJID-UHFFFAOYSA-N 1 1 289.419 3.849 20 30 CHEDMO C#CCCC[N@@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000772358006 1130018057 /nfs/dbraw/zinc/01/80/57/1130018057.db2.gz VMDAYSOGOCACGO-UHFFFAOYSA-N 1 1 253.389 3.752 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(COC)o1)[C@@H]1CCc2ccccc21 ZINC000772599154 1130032410 /nfs/dbraw/zinc/03/24/10/1130032410.db2.gz NRZYPLBJOQOGLT-LJQANCHMSA-N 1 1 295.382 3.549 20 30 CHEDMO C#CC[N@H+](Cc1ccc(COC)o1)[C@@H]1CCc2ccccc21 ZINC000772599154 1130032418 /nfs/dbraw/zinc/03/24/18/1130032418.db2.gz NRZYPLBJOQOGLT-LJQANCHMSA-N 1 1 295.382 3.549 20 30 CHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902753491 1130051052 /nfs/dbraw/zinc/05/10/52/1130051052.db2.gz QFPSNHODEZHNAL-VXGBXAGGSA-N 1 1 299.349 3.513 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1cc(C#N)ccn1 ZINC000902776047 1130055638 /nfs/dbraw/zinc/05/56/38/1130055638.db2.gz DANFJKFUEZZOAW-YVEFUNNKSA-N 1 1 295.411 3.592 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1cccc(C#N)c1 ZINC000902811687 1130061599 /nfs/dbraw/zinc/06/15/99/1130061599.db2.gz CUBNOXQPVCLUBV-KRWDZBQOSA-N 1 1 282.391 3.577 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000902884880 1130079234 /nfs/dbraw/zinc/07/92/34/1130079234.db2.gz OSSQPAODESNNGN-RHSMWYFYSA-N 1 1 290.370 3.649 20 30 CHEDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000903010394 1130099933 /nfs/dbraw/zinc/09/99/33/1130099933.db2.gz LEHSEFYEFPCLOM-UHOFOFEASA-N 1 1 280.375 3.501 20 30 CHEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CCC1)CCS2 ZINC000903033304 1130102912 /nfs/dbraw/zinc/10/29/12/1130102912.db2.gz SNNBUDFZGDRKOK-CQSZACIVSA-N 1 1 288.416 3.516 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCC1 ZINC000903032164 1130103201 /nfs/dbraw/zinc/10/32/01/1130103201.db2.gz RFGBYDWOUJJNLP-ZDUSSCGKSA-N 1 1 276.380 3.646 20 30 CHEDMO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cc(C#N)ccn1 ZINC000903065720 1130107799 /nfs/dbraw/zinc/10/77/99/1130107799.db2.gz XXWKHLIZAHBFHP-FZKQIMNGSA-N 1 1 292.386 3.540 20 30 CHEDMO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000903100688 1130112320 /nfs/dbraw/zinc/11/23/20/1130112320.db2.gz VQKNGHMMWBXZED-LLVKDONJSA-N 1 1 282.334 3.797 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)s1 ZINC000903110064 1130115046 /nfs/dbraw/zinc/11/50/46/1130115046.db2.gz ZOBKPRUBJNHEQD-MRVPVSSYSA-N 1 1 274.311 3.721 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)nc1C ZINC000787129759 1130133003 /nfs/dbraw/zinc/13/30/03/1130133003.db2.gz OIZRRPNPEZBAJM-UHFFFAOYSA-N 1 1 295.361 3.589 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)nc1C ZINC000787129759 1130133009 /nfs/dbraw/zinc/13/30/09/1130133009.db2.gz OIZRRPNPEZBAJM-UHFFFAOYSA-N 1 1 295.361 3.589 20 30 CHEDMO CC(C)(C)CC(=[NH+]n1cc(Br)cn1)C1CC1 ZINC000787163667 1130134264 /nfs/dbraw/zinc/13/42/64/1130134264.db2.gz TXZDZBJLYJKCIR-UHFFFAOYSA-N 1 1 284.201 3.696 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000750149060 1130138029 /nfs/dbraw/zinc/13/80/29/1130138029.db2.gz PXKSZXJRNNQEDN-UHFFFAOYSA-N 1 1 291.361 3.841 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C(C)(C)C1 ZINC000746677812 1130149078 /nfs/dbraw/zinc/14/90/78/1130149078.db2.gz FKZFGYPKUMVGDK-GFCCVEGCSA-N 1 1 292.810 3.863 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000787997220 1130168430 /nfs/dbraw/zinc/16/84/30/1130168430.db2.gz IRCXZMOPDRWDPR-UHFFFAOYSA-N 1 1 255.283 3.549 20 30 CHEDMO C#CC[C@@H]([NH2+][C@H](C)c1cn2ccccc2n1)c1ccccc1 ZINC000788688359 1130199970 /nfs/dbraw/zinc/19/99/70/1130199970.db2.gz SLOJXGNCARRZOX-NVXWUHKLSA-N 1 1 289.382 3.750 20 30 CHEDMO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001170097871 1130231473 /nfs/dbraw/zinc/23/14/73/1130231473.db2.gz GCTRJXMAHXDOID-RQJHMYQMSA-N 1 1 281.215 3.598 20 30 CHEDMO C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254669571 1130285480 /nfs/dbraw/zinc/28/54/80/1130285480.db2.gz SWWJZMFLZLJRQB-DZGCQCFKSA-N 1 1 262.784 3.507 20 30 CHEDMO Cc1ccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000790136390 1130292124 /nfs/dbraw/zinc/29/21/24/1130292124.db2.gz JUQUPCNEBXMSRD-UHFFFAOYSA-N 1 1 282.391 3.681 20 30 CHEDMO CC[N@@H+](CC#CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000677818955 1130334336 /nfs/dbraw/zinc/33/43/36/1130334336.db2.gz ZAXKGCUNVVWOPK-CYBMUJFWSA-N 1 1 299.336 3.738 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137315114 1130335210 /nfs/dbraw/zinc/33/52/10/1130335210.db2.gz URQFGYKTZJJXIK-UHFFFAOYSA-N 1 1 287.366 3.598 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137315114 1130335216 /nfs/dbraw/zinc/33/52/16/1130335216.db2.gz URQFGYKTZJJXIK-UHFFFAOYSA-N 1 1 287.366 3.598 20 30 CHEDMO C#CC[N@@H+](CC)Cc1cc(Br)c(Cl)s1 ZINC000792167342 1130435494 /nfs/dbraw/zinc/43/54/94/1130435494.db2.gz NZQPJRBTYNGVDP-UHFFFAOYSA-N 1 1 292.629 3.619 20 30 CHEDMO C#CC[N@H+](CC)Cc1cc(Br)c(Cl)s1 ZINC000792167342 1130435497 /nfs/dbraw/zinc/43/54/97/1130435497.db2.gz NZQPJRBTYNGVDP-UHFFFAOYSA-N 1 1 292.629 3.619 20 30 CHEDMO CCCCCCCCC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000792240100 1130439991 /nfs/dbraw/zinc/43/99/91/1130439991.db2.gz HITGGMAZIQRRQW-UHFFFAOYSA-N 1 1 278.444 3.735 20 30 CHEDMO C#CC[N@@H+](Cc1cc(C)ccn1)[C@@H]1CCc2ccccc21 ZINC000792209665 1130441296 /nfs/dbraw/zinc/44/12/96/1130441296.db2.gz GKEYUVUKTGPLHH-LJQANCHMSA-N 1 1 276.383 3.513 20 30 CHEDMO C#CC[N@H+](Cc1cc(C)ccn1)[C@@H]1CCc2ccccc21 ZINC000792209665 1130441301 /nfs/dbraw/zinc/44/13/01/1130441301.db2.gz GKEYUVUKTGPLHH-LJQANCHMSA-N 1 1 276.383 3.513 20 30 CHEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000792265173 1130442515 /nfs/dbraw/zinc/44/25/15/1130442515.db2.gz ISYGKXLFMRHNML-QGZVFWFLSA-N 1 1 282.472 3.537 20 30 CHEDMO C=CCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001170206477 1130459180 /nfs/dbraw/zinc/45/91/80/1130459180.db2.gz VBOPAMDXQOZURH-HXUWFJFHSA-N 1 1 298.474 3.941 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001170206477 1130459191 /nfs/dbraw/zinc/45/91/91/1130459191.db2.gz VBOPAMDXQOZURH-HXUWFJFHSA-N 1 1 298.474 3.941 20 30 CHEDMO C=CCCCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001170206477 1130459195 /nfs/dbraw/zinc/45/91/95/1130459195.db2.gz VBOPAMDXQOZURH-HXUWFJFHSA-N 1 1 298.474 3.941 20 30 CHEDMO CC[N@H+](CCC#N)[C@H](C)Cc1ccccc1Cl ZINC001170284466 1130479713 /nfs/dbraw/zinc/47/97/13/1130479713.db2.gz NUVODOMCIGDIHZ-GFCCVEGCSA-N 1 1 250.773 3.507 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)Cc1ccccc1Cl ZINC001170284466 1130479716 /nfs/dbraw/zinc/47/97/16/1130479716.db2.gz NUVODOMCIGDIHZ-GFCCVEGCSA-N 1 1 250.773 3.507 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388881 1130487808 /nfs/dbraw/zinc/48/78/08/1130487808.db2.gz ILDIZLNVEXTOPH-IVMQYODDSA-N 1 1 293.414 3.626 20 30 CHEDMO C#C[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389219 1130488411 /nfs/dbraw/zinc/48/84/11/1130488411.db2.gz NCSIKVQLQMAPAL-KKXNLOMOSA-N 1 1 292.426 3.736 20 30 CHEDMO COC[C@@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378995 1130489195 /nfs/dbraw/zinc/48/91/95/1130489195.db2.gz OPNOHTCDRXYGHY-XBMUEBEBSA-N 1 1 298.430 3.501 20 30 CHEDMO C[N@@H+](C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC001170397522 1130489773 /nfs/dbraw/zinc/48/97/73/1130489773.db2.gz DZSQRDRHNHANBX-XBMUEBEBSA-N 1 1 298.430 3.501 20 30 CHEDMO C=CC[N@@H+](Cc1ccnn1-c1ccccc1C)C(C)C ZINC000792796181 1130498243 /nfs/dbraw/zinc/49/82/43/1130498243.db2.gz ZAHAVOCMQXQSLP-UHFFFAOYSA-N 1 1 269.392 3.577 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000679405668 1130528422 /nfs/dbraw/zinc/52/84/22/1130528422.db2.gz JBPQOURSDSVLGY-UHFFFAOYSA-N 1 1 273.376 3.736 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC001255172346 1130545545 /nfs/dbraw/zinc/54/55/45/1130545545.db2.gz NOTICCWNDYPTNS-ZFWWWQNUSA-N 1 1 258.365 3.524 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)C[C@]1(C)CC1(Cl)Cl ZINC000827323894 1130555431 /nfs/dbraw/zinc/55/54/31/1130555431.db2.gz RRMBIJQABVYKSX-ZDUSSCGKSA-N 1 1 283.202 3.574 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC000827322893 1130555955 /nfs/dbraw/zinc/55/59/55/1130555955.db2.gz BKNHHBQKTGIGNB-CYBMUJFWSA-N 1 1 283.202 3.574 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+](Cc1cccc(C)c1C)C1CC1 ZINC001255177990 1130556870 /nfs/dbraw/zinc/55/68/70/1130556870.db2.gz ZTKZJENRJREVBQ-INIZCTEOSA-N 1 1 256.393 3.960 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000793526291 1130563199 /nfs/dbraw/zinc/56/31/99/1130563199.db2.gz XROAAFFPGIHGLI-INIZCTEOSA-N 1 1 278.484 3.975 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000811512924 1130618607 /nfs/dbraw/zinc/61/86/07/1130618607.db2.gz ARGSTEXRYMRHRN-SFHVURJKSA-N 1 1 283.415 3.709 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)C(C)(C)C ZINC000811507667 1130618804 /nfs/dbraw/zinc/61/88/04/1130618804.db2.gz KSWCVTXEXMUAPX-JTQLQIEISA-N 1 1 271.191 3.526 20 30 CHEDMO C#C[C@](C)(CC)Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001158738687 1130624860 /nfs/dbraw/zinc/62/48/60/1130624860.db2.gz UXUQULOLJAHFJE-MRXNPFEDSA-N 1 1 291.826 3.545 20 30 CHEDMO C[N@H+]1CCc2c(cccc2O[C@@H](CC#N)c2ccccc2)C1 ZINC001234422734 1130642243 /nfs/dbraw/zinc/64/22/43/1130642243.db2.gz IYBOSMBMJUSMMN-SFHVURJKSA-N 1 1 292.382 3.708 20 30 CHEDMO C=C[C@H](Oc1cccc2c1CC[N@H+](C)C2)c1ccccc1 ZINC001234425166 1130643459 /nfs/dbraw/zinc/64/34/59/1130643459.db2.gz VTMIAAZJNMJOJW-SFHVURJKSA-N 1 1 279.383 3.981 20 30 CHEDMO C=CCCCCC[N@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000811749800 1130643867 /nfs/dbraw/zinc/64/38/67/1130643867.db2.gz YTZHIZGGALLLPS-UHFFFAOYSA-N 1 1 289.345 3.846 20 30 CHEDMO C=C(Br)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000759269470 1130648616 /nfs/dbraw/zinc/64/86/16/1130648616.db2.gz TYRBZSVXFDKVTH-UHFFFAOYSA-N 1 1 258.203 3.573 20 30 CHEDMO C=C(Br)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000759269470 1130648620 /nfs/dbraw/zinc/64/86/20/1130648620.db2.gz TYRBZSVXFDKVTH-UHFFFAOYSA-N 1 1 258.203 3.573 20 30 CHEDMO C#C[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(Cl)cc1 ZINC000811863398 1130651499 /nfs/dbraw/zinc/65/14/99/1130651499.db2.gz 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285.435 3.637 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140540626 1131784737 /nfs/dbraw/zinc/78/47/37/1131784737.db2.gz FEYMHUBTJXSEBE-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC001140545637 1131787467 /nfs/dbraw/zinc/78/74/67/1131787467.db2.gz HSBKLZBEXKOQPI-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO CCCOC1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140600953 1131821057 /nfs/dbraw/zinc/82/10/57/1131821057.db2.gz BUEWMDOOOWSGGI-UHFFFAOYSA-N 1 1 292.810 3.603 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1Cl)C1CCCCC1 ZINC001140599855 1131822046 /nfs/dbraw/zinc/82/20/46/1131822046.db2.gz UJNAFUOJBCDQNO-UHFFFAOYSA-N 1 1 262.784 3.976 20 30 CHEDMO C[N@H+](Cc1cc(C#N)ccc1Cl)C[C@H]1CC1(C)C ZINC001140602165 1131822802 /nfs/dbraw/zinc/82/28/02/1131822802.db2.gz FPORYVJKFFHQTE-CYBMUJFWSA-N 1 1 262.784 3.690 20 30 CHEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140601579 1131823901 /nfs/dbraw/zinc/82/39/01/1131823901.db2.gz 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277.371 3.580 20 30 CHEDMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001165077148 1133228202 /nfs/dbraw/zinc/22/82/02/1133228202.db2.gz NCEMFHVQDINDJN-GFCCVEGCSA-N 1 1 277.799 3.596 20 30 CHEDMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001165077148 1133228207 /nfs/dbraw/zinc/22/82/07/1133228207.db2.gz NCEMFHVQDINDJN-GFCCVEGCSA-N 1 1 277.799 3.596 20 30 CHEDMO C=CCOCc1cccc(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001165300978 1133237543 /nfs/dbraw/zinc/23/75/43/1133237543.db2.gz VUUPPFAEKHPRTG-MRXNPFEDSA-N 1 1 288.435 3.533 20 30 CHEDMO Cc1[nH+]c(N2CCC3(CCCC3)CC2)ccc1CC#N ZINC001165325630 1133240075 /nfs/dbraw/zinc/24/00/75/1133240075.db2.gz ZYJXHQNGOOTNEG-UHFFFAOYSA-N 1 1 269.392 3.617 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc(OC)c1O ZINC001203594133 1133344022 /nfs/dbraw/zinc/34/40/22/1133344022.db2.gz SLMFNZRTTKSEKJ-UHFFFAOYSA-N 1 1 265.397 3.803 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC001203657120 1133350027 /nfs/dbraw/zinc/35/00/27/1133350027.db2.gz FNSCKYMAEJEGHD-UHFFFAOYSA-N 1 1 266.772 3.561 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC001203657120 1133350034 /nfs/dbraw/zinc/35/00/34/1133350034.db2.gz FNSCKYMAEJEGHD-UHFFFAOYSA-N 1 1 266.772 3.561 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC001203693323 1133354654 /nfs/dbraw/zinc/35/46/54/1133354654.db2.gz VXAWLQMXCOQBOA-GFCCVEGCSA-N 1 1 267.294 3.551 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1C ZINC001203720068 1133358333 /nfs/dbraw/zinc/35/83/33/1133358333.db2.gz NUZMXILRMNHTFU-UHFFFAOYSA-N 1 1 294.398 3.816 20 30 CHEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(C)c1C ZINC001203720079 1133359088 /nfs/dbraw/zinc/35/90/88/1133359088.db2.gz ODWDUICVKHTZJH-UHFFFAOYSA-N 1 1 286.419 3.970 20 30 CHEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001203746658 1133363771 /nfs/dbraw/zinc/36/37/71/1133363771.db2.gz UEJUCQWUPDLMGN-MRXNPFEDSA-N 1 1 256.393 3.738 20 30 CHEDMO SC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001203811453 1133372714 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ZINC001203995838 1133396037 /nfs/dbraw/zinc/39/60/37/1133396037.db2.gz MIUROLVOCKIASH-HNNXBMFYSA-N 1 1 294.398 3.974 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1 ZINC001204093854 1133407773 /nfs/dbraw/zinc/40/77/73/1133407773.db2.gz PZSNSIHLGSLNIM-UHFFFAOYSA-N 1 1 267.372 3.971 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(OCC)c1 ZINC001204133251 1133409140 /nfs/dbraw/zinc/40/91/40/1133409140.db2.gz OCFYRJGFVIAMKC-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO CSc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001204142879 1133410215 /nfs/dbraw/zinc/41/02/15/1133410215.db2.gz WVHSEVZFPFYOIH-ZDUSSCGKSA-N 1 1 260.406 3.534 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001204183942 1133416795 /nfs/dbraw/zinc/41/67/95/1133416795.db2.gz UOAVLDGNBAHPRM-NSHDSACASA-N 1 1 268.187 3.839 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204275758 1133427113 /nfs/dbraw/zinc/42/71/13/1133427113.db2.gz ZAILVHGLHVMNPO-UHFFFAOYSA-N 1 1 283.371 3.676 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)cc1 ZINC001204297180 1133430918 /nfs/dbraw/zinc/43/09/18/1133430918.db2.gz FMVZASIYUATSBW-OAHLLOKOSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)CC2)cc1 ZINC001204297750 1133431090 /nfs/dbraw/zinc/43/10/90/1133431090.db2.gz QKHXEIBAYXZJOC-HNNXBMFYSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001204302484 1133432142 /nfs/dbraw/zinc/43/21/42/1133432142.db2.gz JZUBWDXPMIOHCC-GASCZTMLSA-N 1 1 259.393 3.729 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC001204303972 1133432461 /nfs/dbraw/zinc/43/24/61/1133432461.db2.gz WMELHUIQSGOQHU-UHFFFAOYSA-N 1 1 259.393 3.873 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001204372856 1133441648 /nfs/dbraw/zinc/44/16/48/1133441648.db2.gz LBJRNVBCICLQPI-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001204372856 1133441651 /nfs/dbraw/zinc/44/16/51/1133441651.db2.gz LBJRNVBCICLQPI-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccccc1C#N ZINC001204371093 1133441717 /nfs/dbraw/zinc/44/17/17/1133441717.db2.gz BKDXMHDZUMQTRL-UHFFFAOYSA-N 1 1 284.790 3.886 20 30 CHEDMO Fc1cccc(C(F)(F)F)c1C[NH+]1CCC(S)CC1 ZINC001204466172 1133450244 /nfs/dbraw/zinc/45/02/44/1133450244.db2.gz OWBUTLWYWDTQRR-UHFFFAOYSA-N 1 1 293.329 3.739 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccsc2)cc1 ZINC001204553890 1133460452 /nfs/dbraw/zinc/46/04/52/1133460452.db2.gz ZVHHICUGBVSWFK-AWEZNQCLSA-N 1 1 269.413 3.792 20 30 CHEDMO C#CC[N@H+](Cc1cc(Cl)ccc1OCC)CC1CC1 ZINC001204640314 1133470086 /nfs/dbraw/zinc/47/00/86/1133470086.db2.gz HOFUIDCKPPIDTD-UHFFFAOYSA-N 1 1 277.795 3.584 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC001204779556 1133484451 /nfs/dbraw/zinc/48/44/51/1133484451.db2.gz FWAKSKFPLNWHAC-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 ZINC001204804153 1133487828 /nfs/dbraw/zinc/48/78/28/1133487828.db2.gz WYWPZMJXDDIJJC-UHFFFAOYSA-N 1 1 298.361 3.815 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccc1F ZINC001205478969 1133581873 /nfs/dbraw/zinc/58/18/73/1133581873.db2.gz KTHBOMDIFBEREZ-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)ccc1F ZINC001205478969 1133581874 /nfs/dbraw/zinc/58/18/74/1133581874.db2.gz KTHBOMDIFBEREZ-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC001206457843 1133705768 /nfs/dbraw/zinc/70/57/68/1133705768.db2.gz XYRKFKORDOSXRW-KSSFIOAISA-N 1 1 266.388 3.866 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC)C1 ZINC001206801180 1133749242 /nfs/dbraw/zinc/74/92/42/1133749242.db2.gz TTYDTUACXANWMU-CYBMUJFWSA-N 1 1 277.795 3.584 20 30 CHEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001206800733 1133749386 /nfs/dbraw/zinc/74/93/86/1133749386.db2.gz MBQFOVLLFOMSHT-POZKEBTKSA-N 1 1 267.416 3.970 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC001207133205 1133770376 /nfs/dbraw/zinc/77/03/76/1133770376.db2.gz NQXJHXRHISSXFK-XMQYKBBCSA-N 1 1 276.330 3.891 20 30 CHEDMO N#CCC[N@H+](CCCc1ccccc1F)C1CCCC1 ZINC001207492921 1133807005 /nfs/dbraw/zinc/80/70/05/1133807005.db2.gz FVWUBZHNHDLERX-UHFFFAOYSA-N 1 1 274.383 3.917 20 30 CHEDMO C[N@@H+](CCCc1ccccc1F)Cc1cccc(C#N)c1 ZINC001207495817 1133809590 /nfs/dbraw/zinc/80/95/90/1133809590.db2.gz DHFCDRHSECGUKZ-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO O=C1C=C2C[N@H+](CCCC3CCCCC3)CCC2S1 ZINC001207607256 1133827615 /nfs/dbraw/zinc/82/76/15/1133827615.db2.gz MRXSPLYGORTBHG-HNNXBMFYSA-N 1 1 279.449 3.621 20 30 CHEDMO C=CCCCCCCCCCN1CC[NH+](CC)CC1 ZINC001207896640 1133857653 /nfs/dbraw/zinc/85/76/53/1133857653.db2.gz RPLKAEKQPZILCA-UHFFFAOYSA-N 1 1 266.473 3.931 20 30 CHEDMO C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2)c1ccccc1 ZINC001207910604 1133861771 /nfs/dbraw/zinc/86/17/71/1133861771.db2.gz VNIANBNLACLKMW-NXNVCVFFSA-N 1 1 254.377 3.557 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001208124359 1133881166 /nfs/dbraw/zinc/88/11/66/1133881166.db2.gz MWWDQXAMXLRZTA-SCOAYWHSSA-N 1 1 251.414 3.814 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001208120547 1133881613 /nfs/dbraw/zinc/88/16/13/1133881613.db2.gz RWWPROUFTCJETI-VEUZHWNKSA-N 1 1 267.457 3.996 20 30 CHEDMO CCCCCCC/C=C/CN1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001208124580 1133881741 /nfs/dbraw/zinc/88/17/41/1133881741.db2.gz UJUOZBYESMJXKE-VCVRMXLYSA-N 1 1 278.484 3.929 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001208124580 1133881746 /nfs/dbraw/zinc/88/17/46/1133881746.db2.gz UJUOZBYESMJXKE-VCVRMXLYSA-N 1 1 278.484 3.929 20 30 CHEDMO CCCCCCC/C=C/C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001208124580 1133881749 /nfs/dbraw/zinc/88/17/49/1133881749.db2.gz UJUOZBYESMJXKE-VCVRMXLYSA-N 1 1 278.484 3.929 20 30 CHEDMO Cc1ccc([C@H](C)CC[N@H+]2CCC[C@H](C#N)CC2)o1 ZINC001208158006 1133890346 /nfs/dbraw/zinc/89/03/46/1133890346.db2.gz UQUQGTLVRDZOOG-HIFRSBDPSA-N 1 1 260.381 3.707 20 30 CHEDMO C=C(C)[C@@H]1CC=C(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001208166461 1133893461 /nfs/dbraw/zinc/89/34/61/1133893461.db2.gz AQXDKFDRMIBNDQ-GOSISDBHSA-N 1 1 297.446 3.506 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001208170825 1133895744 /nfs/dbraw/zinc/89/57/44/1133895744.db2.gz UPBNSVCPMBDIOT-KZNAEPCWSA-N 1 1 275.436 3.790 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCc2ccncc2)CC1 ZINC001208177742 1133898429 /nfs/dbraw/zinc/89/84/29/1133898429.db2.gz YNYMRJGGMQRFBA-GOSISDBHSA-N 1 1 270.420 3.859 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CCOC)C(C)C)CC1 ZINC001208177547 1133898442 /nfs/dbraw/zinc/89/84/42/1133898442.db2.gz UGKYBLHZYJEESK-MRXNPFEDSA-N 1 1 251.414 3.646 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001208178801 1133898821 /nfs/dbraw/zinc/89/88/21/1133898821.db2.gz XEKVHUDYGGCBFT-HZPDHXFCSA-N 1 1 263.425 3.524 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2cnc(C)nc2)CC1 ZINC001208178102 1133899131 /nfs/dbraw/zinc/89/91/31/1133899131.db2.gz 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ISCJZBOIZQAMIP-ZDUSSCGKSA-N 1 1 262.356 3.848 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000049001201 260202841 /nfs/dbraw/zinc/20/28/41/260202841.db2.gz ISCJZBOIZQAMIP-ZDUSSCGKSA-N 1 1 262.356 3.848 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000087608682 260215499 /nfs/dbraw/zinc/21/54/99/260215499.db2.gz ILMQJIYCKYALMN-MRXNPFEDSA-N 1 1 256.393 3.806 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000054182201 260216811 /nfs/dbraw/zinc/21/68/11/260216811.db2.gz PAEAUTTWIOZTIC-JTQLQIEISA-N 1 1 257.164 3.775 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1C#N ZINC000087833249 260219143 /nfs/dbraw/zinc/21/91/43/260219143.db2.gz WBRWNNYCWZRSNH-CZUORRHYSA-N 1 1 272.392 3.577 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1C#N ZINC000087833340 260232775 /nfs/dbraw/zinc/23/27/75/260232775.db2.gz KAOURMGICADUQU-QGZVFWFLSA-N 1 1 284.403 3.721 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1C#N ZINC000087833308 260232838 /nfs/dbraw/zinc/23/28/38/260232838.db2.gz CQUUVKJBKFFKSK-CJNGLKHVSA-N 1 1 272.392 3.577 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCSCC#N)C1 ZINC000074991201 260289279 /nfs/dbraw/zinc/28/92/79/260289279.db2.gz WUIOOBWLIHJYIA-HOTGVXAUSA-N 1 1 288.460 3.820 20 30 CHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCCC#N)C1 ZINC000076388738 260293539 /nfs/dbraw/zinc/29/35/39/260293539.db2.gz OPILUYLYSLHOAM-JKSUJKDBSA-N 1 1 256.393 3.867 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000081043979 260329950 /nfs/dbraw/zinc/32/99/50/260329950.db2.gz WKUUKVFHERGMLP-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000081043979 260329952 /nfs/dbraw/zinc/32/99/52/260329952.db2.gz WKUUKVFHERGMLP-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO C[N@@H+](CCCC#N)C1c2ccccc2-c2ccccc21 ZINC000081596527 260336050 /nfs/dbraw/zinc/33/60/50/260336050.db2.gz CGTMWNQWZKUZKJ-UHFFFAOYSA-N 1 1 262.356 3.992 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129448255 260386898 /nfs/dbraw/zinc/38/68/98/260386898.db2.gz KRZQHJQTCXSPDR-NSHDSACASA-N 1 1 274.261 3.626 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000130425466 260395454 /nfs/dbraw/zinc/39/54/54/260395454.db2.gz YOMPBGXUAFQHDP-CJNGLKHVSA-N 1 1 272.392 3.577 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000119873104 260660190 /nfs/dbraw/zinc/66/01/90/260660190.db2.gz SUNGBHHUXCLVPP-HNNXBMFYSA-N 1 1 257.381 3.548 20 30 CHEDMO CC[N@@H+](Cc1cc2ccccc2c(OC)c1)C[C@@H](C)C#N ZINC000449015697 261096626 /nfs/dbraw/zinc/09/66/26/261096626.db2.gz LOXJWONCPFUWPV-AWEZNQCLSA-N 1 1 282.387 3.830 20 30 CHEDMO CC[N@H+](Cc1cc2ccccc2c(OC)c1)C[C@@H](C)C#N ZINC000449015697 261096628 /nfs/dbraw/zinc/09/66/28/261096628.db2.gz LOXJWONCPFUWPV-AWEZNQCLSA-N 1 1 282.387 3.830 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000157928971 261155758 /nfs/dbraw/zinc/15/57/58/261155758.db2.gz MMQLOCWXKPYTIE-KRWDZBQOSA-N 1 1 292.382 3.556 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000158692136 261169465 /nfs/dbraw/zinc/16/94/65/261169465.db2.gz RKPDXLZPUCHUQP-UHFFFAOYSA-N 1 1 256.374 3.642 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccc(C)cn2)CCCC1(C)C ZINC000444787802 261179747 /nfs/dbraw/zinc/17/97/47/261179747.db2.gz SHMVGOVCTWFGSP-MRXNPFEDSA-N 1 1 258.409 3.957 20 30 CHEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000177021413 261326311 /nfs/dbraw/zinc/32/63/11/261326311.db2.gz YLUWKSUJSWAMMJ-UHFFFAOYSA-N 1 1 294.785 3.695 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000177021413 261326313 /nfs/dbraw/zinc/32/63/13/261326313.db2.gz YLUWKSUJSWAMMJ-UHFFFAOYSA-N 1 1 294.785 3.695 20 30 CHEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000301309685 261332767 /nfs/dbraw/zinc/33/27/67/261332767.db2.gz XXFGXNXMBVENOR-LJQANCHMSA-N 1 1 291.398 3.635 20 30 CHEDMO C[N@@H+](CC(C)(C)CCC#N)CC1(c2ccccc2)CC1 ZINC000188716293 262160777 /nfs/dbraw/zinc/16/07/77/262160777.db2.gz KLEBKTOCDGBCLZ-UHFFFAOYSA-N 1 1 270.420 3.980 20 30 CHEDMO C=CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000111693178 262356889 /nfs/dbraw/zinc/35/68/89/262356889.db2.gz GJSWAQXDDMJFQY-UHFFFAOYSA-N 1 1 274.389 3.801 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000336828215 262398291 /nfs/dbraw/zinc/39/82/91/262398291.db2.gz XIQHNWOSHXWJJS-INIZCTEOSA-N 1 1 271.408 3.939 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337197375 262431554 /nfs/dbraw/zinc/43/15/54/262431554.db2.gz XAVDCYBQQMMICG-HOTGVXAUSA-N 1 1 278.440 3.597 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2nccs2)c2ccccc2)C1 ZINC000339030161 262585876 /nfs/dbraw/zinc/58/58/76/262585876.db2.gz TVEVDUITUNYXDX-YUELXQCFSA-N 1 1 283.400 3.514 20 30 CHEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000272012258 263001040 /nfs/dbraw/zinc/00/10/40/263001040.db2.gz KNXJPNLVOXVWGM-BBRMVZONSA-N 1 1 290.382 3.527 20 30 CHEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000272012258 263001041 /nfs/dbraw/zinc/00/10/41/263001041.db2.gz KNXJPNLVOXVWGM-BBRMVZONSA-N 1 1 290.382 3.527 20 30 CHEDMO C[C@@H]1COc2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000272885315 263009643 /nfs/dbraw/zinc/00/96/43/263009643.db2.gz CYMPWHALQNYYAI-CQSZACIVSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@@H]1COc2ccccc2C[N@H+]1CC(C)(C)CCC#N ZINC000272935632 263010241 /nfs/dbraw/zinc/01/02/41/263010241.db2.gz LDCPLOJGXVYTQE-CQSZACIVSA-N 1 1 272.392 3.599 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000353176284 263017252 /nfs/dbraw/zinc/01/72/52/263017252.db2.gz VSQQOWJLGMFVRG-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1C ZINC000353423721 263032282 /nfs/dbraw/zinc/03/22/82/263032282.db2.gz SAFPQTJKNUWKLD-UHFFFAOYSA-N 1 1 274.408 3.765 20 30 CHEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1C ZINC000353423721 263032283 /nfs/dbraw/zinc/03/22/83/263032283.db2.gz SAFPQTJKNUWKLD-UHFFFAOYSA-N 1 1 274.408 3.765 20 30 CHEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)Cc1ccsc1 ZINC000275177494 263032776 /nfs/dbraw/zinc/03/27/76/263032776.db2.gz WGCGALBQHBBLKW-ZDUSSCGKSA-N 1 1 264.438 3.941 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)CCC#N ZINC000276290753 263035636 /nfs/dbraw/zinc/03/56/36/263035636.db2.gz HTEIANBAFGFIQN-SNVBAGLBSA-N 1 1 256.802 3.916 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000277580384 263042186 /nfs/dbraw/zinc/04/21/86/263042186.db2.gz CFFKCAKOQVBGOA-UHFFFAOYSA-N 1 1 274.383 3.904 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000278219328 263045794 /nfs/dbraw/zinc/04/57/94/263045794.db2.gz UHNWDHXFQUULRI-QGZVFWFLSA-N 1 1 286.419 3.780 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000278219328 263045795 /nfs/dbraw/zinc/04/57/95/263045795.db2.gz UHNWDHXFQUULRI-QGZVFWFLSA-N 1 1 286.419 3.780 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@@H+](CCCSCC#N)C2)c(C)c1 ZINC000280470764 263062017 /nfs/dbraw/zinc/06/20/17/263062017.db2.gz OYZBLWJGPMNUPO-MRXNPFEDSA-N 1 1 288.460 3.740 20 30 CHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000281882373 263072746 /nfs/dbraw/zinc/07/27/46/263072746.db2.gz DDGZRDRIXBXWQF-SFHVURJKSA-N 1 1 298.430 3.706 20 30 CHEDMO CC(C)[N@@H+](CCCC#N)Cc1cccc(Br)c1 ZINC000353479306 263084132 /nfs/dbraw/zinc/08/41/32/263084132.db2.gz BOHXDCKMSJWUHM-UHFFFAOYSA-N 1 1 295.224 3.963 20 30 CHEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285551511 263094045 /nfs/dbraw/zinc/09/40/45/263094045.db2.gz UQIDEOXFWKEVTK-KSZLIROESA-N 1 1 268.404 3.948 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccncc1F ZINC000340240644 263099603 /nfs/dbraw/zinc/09/96/03/263099603.db2.gz UWFWQAMSYDGTCO-CYBMUJFWSA-N 1 1 286.350 3.636 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289747631 263111815 /nfs/dbraw/zinc/11/18/15/263111815.db2.gz IZBIWCRZXICVOM-OAHLLOKOSA-N 1 1 257.381 3.548 20 30 CHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(C2CC2)c1 ZINC000295097990 263172425 /nfs/dbraw/zinc/17/24/25/263172425.db2.gz BLWMJAYTGYOJBQ-UONOGXRCSA-N 1 1 267.376 3.658 20 30 CHEDMO Cc1c2ccccc2oc1[C@@H]([NH2+]CCC#N)C(C)C ZINC000298808220 263225982 /nfs/dbraw/zinc/22/59/82/263225982.db2.gz FJFPEKIVGQRKIZ-HNNXBMFYSA-N 1 1 256.349 3.942 20 30 CHEDMO C=CCCCC[C@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453344401 263242445 /nfs/dbraw/zinc/24/24/45/263242445.db2.gz DYJVUOBQOVQMOU-JKSUJKDBSA-N 1 1 251.414 3.624 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000187668507 263266571 /nfs/dbraw/zinc/26/65/71/263266571.db2.gz LDGPGDIHIYBXLW-BEFAXECRSA-N 1 1 291.398 3.806 20 30 CHEDMO C=CCCC[N@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000121093826 263289971 /nfs/dbraw/zinc/28/99/71/263289971.db2.gz RFGBBWMZYWSZBQ-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO C=CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000341894896 263366961 /nfs/dbraw/zinc/36/69/61/263366961.db2.gz KHMDHESPMISNJC-ZDUSSCGKSA-N 1 1 283.375 3.696 20 30 CHEDMO N#CCCCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342180625 263394042 /nfs/dbraw/zinc/39/40/42/263394042.db2.gz VDSTZXFJTJNLLT-UHFFFAOYSA-N 1 1 293.208 3.501 20 30 CHEDMO COCc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365091 264210879 /nfs/dbraw/zinc/21/08/79/264210879.db2.gz IRYYGBMOLDJVQF-HNNXBMFYSA-N 1 1 294.398 3.898 20 30 CHEDMO COc1ccc(F)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365016 264210982 /nfs/dbraw/zinc/21/09/82/264210982.db2.gz IMIYSYQAISTBPU-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc(F)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365016 264210983 /nfs/dbraw/zinc/21/09/83/264210983.db2.gz IMIYSYQAISTBPU-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC1CCOCC1 ZINC000425366001 264211433 /nfs/dbraw/zinc/21/14/33/264211433.db2.gz NUZQXWDYHFUTFG-OAHLLOKOSA-N 1 1 286.419 3.758 20 30 CHEDMO CC(C)n1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425369265 264213613 /nfs/dbraw/zinc/21/36/13/264213613.db2.gz ZUKJKHQLZFGYBQ-AWEZNQCLSA-N 1 1 282.391 3.529 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC1(c2ccccc2)CC1 ZINC000189291755 264287626 /nfs/dbraw/zinc/28/76/26/264287626.db2.gz HYRIPDVFJSWFJI-UHFFFAOYSA-N 1 1 276.383 3.722 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncc(C)c1 ZINC000189810694 264327300 /nfs/dbraw/zinc/32/73/00/264327300.db2.gz PPJOSWKZANAWDR-UHFFFAOYSA-N 1 1 266.388 3.621 20 30 CHEDMO CC[N@@H+](CCCSCC#N)Cc1c[nH]c2ccccc12 ZINC000190495138 264360175 /nfs/dbraw/zinc/36/01/75/264360175.db2.gz BQSNXPAHYNUWMC-UHFFFAOYSA-N 1 1 287.432 3.637 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC000180043969 264395063 /nfs/dbraw/zinc/39/50/63/264395063.db2.gz GMRGNXVJHITPFG-HNNXBMFYSA-N 1 1 256.349 3.780 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000425534897 264449309 /nfs/dbraw/zinc/44/93/09/264449309.db2.gz MMRNXNFAPVKLRF-YOEHRIQHSA-N 1 1 272.392 3.510 20 30 CHEDMO C=CCCCCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000518952747 265247034 /nfs/dbraw/zinc/24/70/34/265247034.db2.gz VIMOCUGLXJJYHX-HZPDHXFCSA-N 1 1 263.425 3.766 20 30 CHEDMO CC[NH+](CC)C[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360830640 266745767 /nfs/dbraw/zinc/74/57/67/266745767.db2.gz DNMUZKCFYVRPMP-DNVCBOLYSA-N 1 1 299.462 3.646 20 30 CHEDMO CC[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000370053286 267287052 /nfs/dbraw/zinc/28/70/52/267287052.db2.gz NEQIAMZZGAZREW-MJGOQNOKSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000370053286 267287055 /nfs/dbraw/zinc/28/70/55/267287055.db2.gz NEQIAMZZGAZREW-MJGOQNOKSA-N 1 1 297.446 3.616 20 30 CHEDMO Cc1cc(Br)ccc1C[NH2+]CC1(C#N)CCC1 ZINC000418142633 267364298 /nfs/dbraw/zinc/36/42/98/267364298.db2.gz NHFDOJCJNUMHOO-UHFFFAOYSA-N 1 1 293.208 3.541 20 30 CHEDMO Cc1ccc(C[NH2+]CC2(C#N)CCC2)cc1Br ZINC000418143742 267365552 /nfs/dbraw/zinc/36/55/52/267365552.db2.gz QTSHLANLSOLKLF-UHFFFAOYSA-N 1 1 293.208 3.541 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(C#N)CCC1 ZINC000418145089 267366738 /nfs/dbraw/zinc/36/67/38/267366738.db2.gz WSAYBYCTSPEFAZ-UHFFFAOYSA-N 1 1 282.309 3.797 20 30 CHEDMO CCOC1CC(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000377133149 268050549 /nfs/dbraw/zinc/05/05/49/268050549.db2.gz ZNGQNRJDHODWQD-SOTJZCEJSA-N 1 1 298.430 3.573 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000183824561 327766030 /nfs/dbraw/zinc/76/60/30/327766030.db2.gz MCDRZFMIVLGKKE-OAHLLOKOSA-N 1 1 280.371 3.515 20 30 CHEDMO Cc1ncsc1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411266840 328081339 /nfs/dbraw/zinc/08/13/39/328081339.db2.gz BFSQPUIRZYDUQB-UHFFFAOYSA-N 1 1 277.437 3.748 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000571265071 328096198 /nfs/dbraw/zinc/09/61/98/328096198.db2.gz KPCUBXPBEGMLEM-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000571265071 328096200 /nfs/dbraw/zinc/09/62/00/328096200.db2.gz KPCUBXPBEGMLEM-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCC1(F)F ZINC000411744934 328098738 /nfs/dbraw/zinc/09/87/38/328098738.db2.gz HDVZICJXAISTKS-CYBMUJFWSA-N 1 1 270.367 3.828 20 30 CHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CCC)CC1 ZINC000414294815 328154163 /nfs/dbraw/zinc/15/41/63/328154163.db2.gz DXIJIEVFDAVBBO-IBGZPJMESA-N 1 1 286.463 3.638 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)CCc1ccc2ccccc2c1 ZINC000268274314 328183781 /nfs/dbraw/zinc/18/37/81/328183781.db2.gz DCQANLQLRQVJTH-CQSZACIVSA-N 1 1 252.361 3.616 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000268274314 328183783 /nfs/dbraw/zinc/18/37/83/328183783.db2.gz DCQANLQLRQVJTH-CQSZACIVSA-N 1 1 252.361 3.616 20 30 CHEDMO C[N@@H+](CCSCCC(C)(C)C#N)Cc1ccccc1 ZINC000278614658 328228400 /nfs/dbraw/zinc/22/84/00/328228400.db2.gz JEMQVTCPACASNF-UHFFFAOYSA-N 1 1 276.449 3.791 20 30 CHEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCC#N ZINC000278854903 328231190 /nfs/dbraw/zinc/23/11/90/328231190.db2.gz FYDLFKQBCYULBH-HNNXBMFYSA-N 1 1 280.799 3.653 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000187692036 328300872 /nfs/dbraw/zinc/30/08/72/328300872.db2.gz MTUAIXAXUGLLHR-XYPHTWIQSA-N 1 1 254.377 3.741 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCOc1ccccc1C#N ZINC000303694687 328357739 /nfs/dbraw/zinc/35/77/39/328357739.db2.gz MZJLBACBARTDDA-INMHGKMJSA-N 1 1 284.403 3.590 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(Cl)ccc1C#N ZINC000303793379 328358474 /nfs/dbraw/zinc/35/84/74/328358474.db2.gz QQGJWGAGPWRYCZ-OAHLLOKOSA-N 1 1 291.826 3.888 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000534915286 328368634 /nfs/dbraw/zinc/36/86/34/328368634.db2.gz LDYQJWZOWJWMAL-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000534915286 328368636 /nfs/dbraw/zinc/36/86/36/328368636.db2.gz LDYQJWZOWJWMAL-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000111744046 328376663 /nfs/dbraw/zinc/37/66/63/328376663.db2.gz DABVYCLZDJHWPQ-DLBZAZTESA-N 1 1 256.393 3.959 20 30 CHEDMO CCSc1cccc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000186190921 329339245 /nfs/dbraw/zinc/33/92/45/329339245.db2.gz YQNCMKUEUUIICW-ZDUSSCGKSA-N 1 1 262.422 3.780 20 30 CHEDMO CCSc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000186190921 329339247 /nfs/dbraw/zinc/33/92/47/329339247.db2.gz YQNCMKUEUUIICW-ZDUSSCGKSA-N 1 1 262.422 3.780 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540921 328549569 /nfs/dbraw/zinc/54/95/69/328549569.db2.gz FDIGCDBXCHVSAU-HZMBPMFUSA-N 1 1 266.747 3.748 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000557966182 327037931 /nfs/dbraw/zinc/03/79/31/327037931.db2.gz LXMLLUVKZUYKEO-CQSZACIVSA-N 1 1 260.356 3.555 20 30 CHEDMO COc1ccc(C[N@@H+](C)C(C)(C)C)cc1OCCCC#N ZINC000584114280 327040465 /nfs/dbraw/zinc/04/04/65/327040465.db2.gz UPJGXUDMNUONFC-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO C[C@@H](C#N)C[N@H+](CCc1ccc(F)cc1Cl)C1CC1 ZINC000558566455 327105604 /nfs/dbraw/zinc/10/56/04/327105604.db2.gz HCTYCMDYOSPOSN-NSHDSACASA-N 1 1 280.774 3.646 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CCc1ccc(F)cc1Cl)C1CC1 ZINC000558566455 327105605 /nfs/dbraw/zinc/10/56/05/327105605.db2.gz HCTYCMDYOSPOSN-NSHDSACASA-N 1 1 280.774 3.646 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000558566108 327105803 /nfs/dbraw/zinc/10/58/03/327105803.db2.gz CGVHPCXGTIIVQM-SNVBAGLBSA-N 1 1 282.309 3.807 20 30 CHEDMO C=CC[C@H]1[N@H+](CCCO[C@H]2CCCCO2)CCCC1(C)C ZINC000558737618 327118390 /nfs/dbraw/zinc/11/83/90/327118390.db2.gz HFYSNWICOSIZTA-SJORKVTESA-N 1 1 295.467 3.986 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000074981991 327122950 /nfs/dbraw/zinc/12/29/50/327122950.db2.gz XUMLHESTUZIYPV-INIZCTEOSA-N 1 1 274.433 3.779 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1F ZINC000093492082 327123558 /nfs/dbraw/zinc/12/35/58/327123558.db2.gz LPTOQWFGSRUIPQ-VIFPVBQESA-N 1 1 278.327 3.749 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558863473 327127792 /nfs/dbraw/zinc/12/77/92/327127792.db2.gz UQAZLFSEMHLIEV-SFHVURJKSA-N 1 1 298.336 3.768 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558863473 327127794 /nfs/dbraw/zinc/12/77/94/327127794.db2.gz UQAZLFSEMHLIEV-SFHVURJKSA-N 1 1 298.336 3.768 20 30 CHEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC000559105870 327141620 /nfs/dbraw/zinc/14/16/20/327141620.db2.gz ITCKYVRSUMLDOI-BZSNNMDCSA-N 1 1 298.430 3.642 20 30 CHEDMO N#Cc1ccc(C[NH+]2CC(C3CCC3)C2)c(C(F)(F)F)c1 ZINC000569399612 327171999 /nfs/dbraw/zinc/17/19/99/327171999.db2.gz YCBNZFOMGYEUOY-UHFFFAOYSA-N 1 1 294.320 3.809 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000091897598 327187016 /nfs/dbraw/zinc/18/70/16/327187016.db2.gz PRWHOLIIAGANOK-CQSZACIVSA-N 1 1 272.373 3.722 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091897598 327187017 /nfs/dbraw/zinc/18/70/17/327187017.db2.gz PRWHOLIIAGANOK-CQSZACIVSA-N 1 1 272.373 3.722 20 30 CHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410378564 327188743 /nfs/dbraw/zinc/18/87/43/327188743.db2.gz MVEXHINGNJCXAL-IAGOWNOFSA-N 1 1 292.467 3.988 20 30 CHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410413474 327192654 /nfs/dbraw/zinc/19/26/54/327192654.db2.gz LECGYZVPVSPTKH-DLBZAZTESA-N 1 1 292.467 3.988 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCC#N ZINC000102396807 327226797 /nfs/dbraw/zinc/22/67/97/327226797.db2.gz KOQJGGNPCNLMQJ-NSHDSACASA-N 1 1 252.308 3.651 20 30 CHEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000559432830 327245009 /nfs/dbraw/zinc/24/50/09/327245009.db2.gz XSXSOURZYZYIAG-IRXDYDNUSA-N 1 1 253.389 3.549 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(C#N)cc1 ZINC000559985417 327275596 /nfs/dbraw/zinc/27/55/96/327275596.db2.gz YTWCENKQLUBQBK-KRWDZBQOSA-N 1 1 282.391 3.577 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)c(O)c1 ZINC000119935076 327295818 /nfs/dbraw/zinc/29/58/18/327295818.db2.gz OQZRNCPPFAIUIR-UHFFFAOYSA-N 1 1 289.400 3.651 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(O)c1 ZINC000119935076 327295819 /nfs/dbraw/zinc/29/58/19/327295819.db2.gz OQZRNCPPFAIUIR-UHFFFAOYSA-N 1 1 289.400 3.651 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(F)c2)CC1 ZINC000153027542 327307857 /nfs/dbraw/zinc/30/78/57/327307857.db2.gz RKSDJCYAIFLFMR-CQSZACIVSA-N 1 1 276.399 3.517 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H](CC)C2)cc1 ZINC000560559702 327325078 /nfs/dbraw/zinc/32/50/78/327325078.db2.gz UHMDHOUOTURKAQ-MRXNPFEDSA-N 1 1 277.433 3.579 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)ccc1OC ZINC000560662436 327334690 /nfs/dbraw/zinc/33/46/90/327334690.db2.gz HNUZKFFWWKGLSY-GJZGRUSLSA-N 1 1 289.419 3.880 20 30 CHEDMO CC#CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000155048638 327389545 /nfs/dbraw/zinc/38/95/45/327389545.db2.gz GINSHZFCMGENBD-UHFFFAOYSA-N 1 1 255.283 3.551 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccn1 ZINC000358582072 328887728 /nfs/dbraw/zinc/88/77/28/328887728.db2.gz ZPSSEEWQGJBNJK-NWDGAFQWSA-N 1 1 269.323 3.504 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000378140596 329041138 /nfs/dbraw/zinc/04/11/38/329041138.db2.gz NUWWNLXUARSJNV-RDTXWAMCSA-N 1 1 296.414 3.742 20 30 CHEDMO C[C@@H](CC[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000193880823 329062289 /nfs/dbraw/zinc/06/22/89/329062289.db2.gz PIMJLGNTFNUVMM-HNNXBMFYSA-N 1 1 256.393 3.806 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000174843328 329163900 /nfs/dbraw/zinc/16/39/00/329163900.db2.gz KBDPNZWPKRZVDS-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000174843328 329163902 /nfs/dbraw/zinc/16/39/02/329163902.db2.gz KBDPNZWPKRZVDS-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO COCc1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000179226789 329206443 /nfs/dbraw/zinc/20/64/43/329206443.db2.gz NWTVVUTVDKVNFL-UHFFFAOYSA-N 1 1 274.408 3.595 20 30 CHEDMO COCc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000179226789 329206445 /nfs/dbraw/zinc/20/64/45/329206445.db2.gz NWTVVUTVDKVNFL-UHFFFAOYSA-N 1 1 274.408 3.595 20 30 CHEDMO CC[N@@H+](Cc1cccnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000179464337 329208786 /nfs/dbraw/zinc/20/87/86/329208786.db2.gz FPRCTXDPELFHHU-OAHLLOKOSA-N 1 1 279.387 3.845 20 30 CHEDMO Cc1cccc(CCC[N@@H+](CCC#N)CC2CC2)c1 ZINC000181132638 329232776 /nfs/dbraw/zinc/23/27/76/329232776.db2.gz IHIVPRCCRJHXOK-UHFFFAOYSA-N 1 1 256.393 3.553 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181167795 329233175 /nfs/dbraw/zinc/23/31/75/329233175.db2.gz HBGMZCLIPVBCCT-SNVBAGLBSA-N 1 1 281.197 3.551 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000271480499 330080010 /nfs/dbraw/zinc/08/00/10/330080010.db2.gz SNWKADGPLBYPPN-UHFFFAOYSA-N 1 1 299.201 3.582 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000271480499 330080012 /nfs/dbraw/zinc/08/00/12/330080012.db2.gz SNWKADGPLBYPPN-UHFFFAOYSA-N 1 1 299.201 3.582 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000271715020 330081887 /nfs/dbraw/zinc/08/18/87/330081887.db2.gz OZVJOJJSEVGECF-LJQANCHMSA-N 1 1 293.414 3.852 20 30 CHEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccncc1Cl ZINC000421839094 330092854 /nfs/dbraw/zinc/09/28/54/330092854.db2.gz WMLFDVMWYNXUBT-LBPRGKRZSA-N 1 1 297.789 3.947 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273410897 330093113 /nfs/dbraw/zinc/09/31/13/330093113.db2.gz IDWGGJDWFROICK-HUUCEWRRSA-N 1 1 283.774 3.730 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000274760714 330107574 /nfs/dbraw/zinc/10/75/74/330107574.db2.gz DKDDZTSCCCFWJF-CQSZACIVSA-N 1 1 299.418 3.902 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274844455 330108206 /nfs/dbraw/zinc/10/82/06/330108206.db2.gz PEKQCHCOWRNPCE-IRXDYDNUSA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccco1 ZINC000278932357 330121195 /nfs/dbraw/zinc/12/11/95/330121195.db2.gz LIEAAQHGMBQBRC-CQSZACIVSA-N 1 1 285.343 3.805 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000279207189 330122248 /nfs/dbraw/zinc/12/22/48/330122248.db2.gz GRGORWVDBVDBPH-UHFFFAOYSA-N 1 1 294.398 3.504 20 30 CHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1([NH3+])CCCCC1 ZINC000423185347 330175708 /nfs/dbraw/zinc/17/57/08/330175708.db2.gz 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/nfs/dbraw/zinc/26/34/37/330263437.db2.gz UEPRNDHQQMPUIR-UHFFFAOYSA-N 1 1 258.390 3.640 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(C)c1 ZINC000527535326 330263438 /nfs/dbraw/zinc/26/34/38/330263438.db2.gz UEPRNDHQQMPUIR-UHFFFAOYSA-N 1 1 258.390 3.640 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)nn1 ZINC000424141145 330281517 /nfs/dbraw/zinc/28/15/17/330281517.db2.gz OMQNMXROTDKXEU-CQSZACIVSA-N 1 1 298.434 3.612 20 30 CHEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527772300 330282149 /nfs/dbraw/zinc/28/21/49/330282149.db2.gz OHIFMPXNFFIHCG-SFHVURJKSA-N 1 1 277.371 3.584 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(CO)ccc1F ZINC000528361352 330322424 /nfs/dbraw/zinc/32/24/24/330322424.db2.gz XARBKFRMCIIRCW-UHFFFAOYSA-N 1 1 299.389 3.549 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000533005068 330324968 /nfs/dbraw/zinc/32/49/68/330324968.db2.gz VXVGDTQBTUGXJQ-KRWDZBQOSA-N 1 1 259.368 3.688 20 30 CHEDMO COc1ccc(C[N@@H+](C)C[C@H](C)c2ccccc2)cc1C#N ZINC000533079720 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C=C(CC)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000536904696 330363723 /nfs/dbraw/zinc/36/37/23/330363723.db2.gz KPWYYECQCVMWTB-HNNXBMFYSA-N 1 1 274.408 3.692 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000119223032 330372089 /nfs/dbraw/zinc/37/20/89/330372089.db2.gz GPTVEVPQTBTHJQ-CQSZACIVSA-N 1 1 296.370 3.756 20 30 CHEDMO C=CC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000119682538 330378846 /nfs/dbraw/zinc/37/88/46/330378846.db2.gz AXYCULPWARYLPP-CQSZACIVSA-N 1 1 297.402 3.619 20 30 CHEDMO C=CC[C@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449151720 330901923 /nfs/dbraw/zinc/90/19/23/330901923.db2.gz YHIOIYAOSIOKRX-DLBZAZTESA-N 1 1 286.463 3.636 20 30 CHEDMO COc1cc2ccccc2cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000449317531 330914064 /nfs/dbraw/zinc/91/40/64/330914064.db2.gz SGMKBGNFXMYZQO-UHFFFAOYSA-N 1 1 298.361 3.676 20 30 CHEDMO N#CC1(C[NH2+]C2(c3ccc(Cl)cc3)CC2)CCC1 ZINC000450688147 330993854 /nfs/dbraw/zinc/99/38/54/330993854.db2.gz XYEJPPFXIKNJQN-UHFFFAOYSA-N 1 1 260.768 3.613 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)CC(C)C ZINC000450983373 331010045 /nfs/dbraw/zinc/01/00/45/331010045.db2.gz QEBGKCRXATWMSS-AWEZNQCLSA-N 1 1 265.397 3.585 20 30 CHEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCCSCC#N ZINC000451151806 331017805 /nfs/dbraw/zinc/01/78/05/331017805.db2.gz ZQQMSZXCHLDQMC-QJPTWQEYSA-N 1 1 294.386 3.685 20 30 CHEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451285851 331023139 /nfs/dbraw/zinc/02/31/39/331023139.db2.gz CDXBNJDBIMCUMO-KRWDZBQOSA-N 1 1 292.467 3.988 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451354248 331025363 /nfs/dbraw/zinc/02/53/63/331025363.db2.gz QSVXCSJPLTYAJJ-MWDXBVQZSA-N 1 1 265.441 3.747 20 30 CHEDMO C=C(C)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451879515 331046180 /nfs/dbraw/zinc/04/61/80/331046180.db2.gz RLHZUTHTQOHLRJ-HNNXBMFYSA-N 1 1 255.365 3.666 20 30 CHEDMO C=C(C)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451879515 331046181 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N#Cc1ccc(C[NH+]2CC3(C2)CCCC3)c(C(F)(F)F)c1 ZINC000459565815 331288057 /nfs/dbraw/zinc/28/80/57/331288057.db2.gz SORRZLIKGUCVST-UHFFFAOYSA-N 1 1 294.320 3.953 20 30 CHEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459714354 331295423 /nfs/dbraw/zinc/29/54/23/331295423.db2.gz VACSEJRTIXAQOG-DLBZAZTESA-N 1 1 268.404 3.948 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459744378 331297709 /nfs/dbraw/zinc/29/77/09/331297709.db2.gz HWDZFAFUNQRMMJ-UHFFFAOYSA-N 1 1 262.784 3.986 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459744378 331297710 /nfs/dbraw/zinc/29/77/10/331297710.db2.gz HWDZFAFUNQRMMJ-UHFFFAOYSA-N 1 1 262.784 3.986 20 30 CHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000166723365 331307654 /nfs/dbraw/zinc/30/76/54/331307654.db2.gz KEVLJJIGZIHQKB-AGIUHOORSA-N 1 1 260.356 3.564 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](C)OC)cc1Cl ZINC000462833852 331332015 /nfs/dbraw/zinc/33/20/15/331332015.db2.gz QQOMAKNEVSYKMU-CYBMUJFWSA-N 1 1 297.826 3.762 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2ccccc2C#N)CCS1 ZINC000464570632 331362992 /nfs/dbraw/zinc/36/29/92/331362992.db2.gz BQFXLOJJQCKCJT-UHFFFAOYSA-N 1 1 274.433 3.666 20 30 CHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000464730046 331365502 /nfs/dbraw/zinc/36/55/02/331365502.db2.gz CXDLFUUGQGMSAS-RHSMWYFYSA-N 1 1 256.393 3.959 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000489404731 332050499 /nfs/dbraw/zinc/05/04/99/332050499.db2.gz MVCMPOUKDXSPAU-OAHLLOKOSA-N 1 1 292.810 3.709 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CCCOCc1ccccc1 ZINC000489450487 332053477 /nfs/dbraw/zinc/05/34/77/332053477.db2.gz RBMGNDYDFABXLJ-QGZVFWFLSA-N 1 1 259.393 3.634 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CCCOCCc1ccccc1 ZINC000489469434 332054447 /nfs/dbraw/zinc/05/44/47/332054447.db2.gz BDYWUVINGUJKMU-SFHVURJKSA-N 1 1 273.420 3.676 20 30 CHEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000489851311 332070056 /nfs/dbraw/zinc/07/00/56/332070056.db2.gz WJEYRCBAOJGCAX-QGZVFWFLSA-N 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333113324 /nfs/dbraw/zinc/11/33/24/333113324.db2.gz MFOUJXHJEFSHMT-LLVKDONJSA-N 1 1 277.393 3.757 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000218681562 333134838 /nfs/dbraw/zinc/13/48/38/333134838.db2.gz OJIQFETVNXAAKW-OAHLLOKOSA-N 1 1 274.408 3.528 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185509641 333142338 /nfs/dbraw/zinc/14/23/38/333142338.db2.gz GZHZZTWNCZNIEQ-UNXYVOJBSA-N 1 1 262.319 3.589 20 30 CHEDMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(C#N)s1 ZINC000185748961 333147955 /nfs/dbraw/zinc/14/79/55/333147955.db2.gz YYHDNYGKEUBXPK-UHFFFAOYSA-N 1 1 296.399 3.910 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000187669591 333173552 /nfs/dbraw/zinc/17/35/52/333173552.db2.gz QHXLMGOATICDMG-BBRMVZONSA-N 1 1 297.427 3.955 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000189033568 333178593 /nfs/dbraw/zinc/17/85/93/333178593.db2.gz DDZJUGADKDDZKF-UHFFFAOYSA-N 1 1 261.699 3.559 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000189033568 333178594 /nfs/dbraw/zinc/17/85/94/333178594.db2.gz DDZJUGADKDDZKF-UHFFFAOYSA-N 1 1 261.699 3.559 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000189340594 333190650 /nfs/dbraw/zinc/19/06/50/333190650.db2.gz DOFADRIRZWNRLV-CQSZACIVSA-N 1 1 250.345 3.751 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000192049135 333228655 /nfs/dbraw/zinc/22/86/55/333228655.db2.gz IMEUOYUWSWALDT-IAGOWNOFSA-N 1 1 273.445 3.644 20 30 CHEDMO C=CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000193442292 333250222 /nfs/dbraw/zinc/25/02/22/333250222.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000193442292 333250223 /nfs/dbraw/zinc/25/02/23/333250223.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000193442292 333250224 /nfs/dbraw/zinc/25/02/24/333250224.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 1 1 276.468 3.682 20 30 CHEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCc2ccccc2C1 ZINC000522268124 333276915 /nfs/dbraw/zinc/27/69/15/333276915.db2.gz ZSDZHPYKFUSCMK-IBGZPJMESA-N 1 1 276.383 3.548 20 30 CHEDMO CCc1ccc(CC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000522448098 333287213 /nfs/dbraw/zinc/28/72/13/333287213.db2.gz OFFQAHCSLOBQQR-UHFFFAOYSA-N 1 1 278.399 3.795 20 30 CHEDMO C=CCCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000523009715 333304368 /nfs/dbraw/zinc/30/43/68/333304368.db2.gz HSYMKHVQGAUXFT-UHFFFAOYSA-N 1 1 298.224 3.726 20 30 CHEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1Cl ZINC000229747629 333309210 /nfs/dbraw/zinc/30/92/10/333309210.db2.gz DJCKOMSTMPRDQM-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1Cl ZINC000229747629 333309211 /nfs/dbraw/zinc/30/92/11/333309211.db2.gz DJCKOMSTMPRDQM-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748215 333309214 /nfs/dbraw/zinc/30/92/14/333309214.db2.gz MGJGAOMNACSAIJ-WBMJQRKESA-N 1 1 260.356 3.708 20 30 CHEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000229747663 333309285 /nfs/dbraw/zinc/30/92/85/333309285.db2.gz IXLNNJAJWROYQL-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000230142238 333314811 /nfs/dbraw/zinc/31/48/11/333314811.db2.gz HDLQDJPQPQUTOR-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H](CNc1ccc(Cl)cc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000303173865 333338571 /nfs/dbraw/zinc/33/85/71/333338571.db2.gz HDDCXQRQEONTGB-STQMWFEESA-N 1 1 291.826 3.744 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cc1F ZINC000524757181 333387181 /nfs/dbraw/zinc/38/71/81/333387181.db2.gz JSZJAAJQMZHZIO-IFIJOSMWSA-N 1 1 272.367 3.850 20 30 CHEDMO CC#CC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000525119545 333399237 /nfs/dbraw/zinc/39/92/37/333399237.db2.gz NENRYJHBCJPYAF-NSHDSACASA-N 1 1 255.283 3.722 20 30 CHEDMO N#CCC1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529541885 333495526 /nfs/dbraw/zinc/49/55/26/333495526.db2.gz MOIUYWGHQDXUKX-UHFFFAOYSA-N 1 1 288.338 3.893 20 30 CHEDMO Cc1cnc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000174545558 335158651 /nfs/dbraw/zinc/15/86/51/335158651.db2.gz OOGPBXIMRSLPRN-HNNXBMFYSA-N 1 1 283.400 3.564 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(Br)cc1OC ZINC000540996517 333757394 /nfs/dbraw/zinc/75/73/94/333757394.db2.gz PVHCTRGKISGREW-UHFFFAOYSA-N 1 1 296.208 3.632 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC000576125563 335158198 /nfs/dbraw/zinc/15/81/98/335158198.db2.gz PDAJQDQMWSSBHV-KZNAEPCWSA-N 1 1 268.404 3.633 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000543623293 333885287 /nfs/dbraw/zinc/88/52/87/333885287.db2.gz DNAIDBUANSETFZ-LLVKDONJSA-N 1 1 290.313 3.690 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CC1(C)C ZINC000546124441 334015676 /nfs/dbraw/zinc/01/56/76/334015676.db2.gz DMJGJCQGONIETA-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO Cc1cc(Cl)ccc1C[N@@H+](CCC#N)C(C)C ZINC000546653757 334043714 /nfs/dbraw/zinc/04/37/14/334043714.db2.gz UGJPHLMAYFHBCI-UHFFFAOYSA-N 1 1 250.773 3.773 20 30 CHEDMO Cc1cc(Cl)ccc1C[N@H+](CCC#N)C(C)C ZINC000546653757 334043716 /nfs/dbraw/zinc/04/37/16/334043716.db2.gz UGJPHLMAYFHBCI-UHFFFAOYSA-N 1 1 250.773 3.773 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075831794 334053472 /nfs/dbraw/zinc/05/34/72/334053472.db2.gz AHNNQDZPRRRNEP-HNNXBMFYSA-N 1 1 284.403 3.654 20 30 CHEDMO C[C@H]1SCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C ZINC000135239498 334121434 /nfs/dbraw/zinc/12/14/34/334121434.db2.gz ZDNUWOGATWEWFE-ZIAGYGMSSA-N 1 1 288.460 3.814 20 30 CHEDMO C[C@H]1SCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135239522 334121454 /nfs/dbraw/zinc/12/14/54/334121454.db2.gz ZDNUWOGATWEWFE-UONOGXRCSA-N 1 1 288.460 3.814 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000079054666 334146744 /nfs/dbraw/zinc/14/67/44/334146744.db2.gz FVYFQWKKEXSTQF-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)cc1C)C[C@@H](C)C#N ZINC000136165569 334148525 /nfs/dbraw/zinc/14/85/25/334148525.db2.gz IVYCACSMOGDTIL-NSHDSACASA-N 1 1 250.773 3.630 20 30 CHEDMO CC[N@H+](Cc1ccc(Cl)cc1C)C[C@@H](C)C#N ZINC000136165569 334148526 /nfs/dbraw/zinc/14/85/26/334148526.db2.gz IVYCACSMOGDTIL-NSHDSACASA-N 1 1 250.773 3.630 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245416493 334191412 /nfs/dbraw/zinc/19/14/12/334191412.db2.gz FFBAOURQHBVIBV-RDTXWAMCSA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245416493 334191414 /nfs/dbraw/zinc/19/14/14/334191414.db2.gz FFBAOURQHBVIBV-RDTXWAMCSA-N 1 1 262.356 3.751 20 30 CHEDMO N#CC1(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000549958991 334210417 /nfs/dbraw/zinc/21/04/17/334210417.db2.gz JZBBBOYQESUZAR-IBGZPJMESA-N 1 1 288.394 3.938 20 30 CHEDMO N#CC1(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000549958991 334210419 /nfs/dbraw/zinc/21/04/19/334210419.db2.gz JZBBBOYQESUZAR-IBGZPJMESA-N 1 1 288.394 3.938 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccc(Br)cc1 ZINC000245934151 334224733 /nfs/dbraw/zinc/22/47/33/334224733.db2.gz ZFBUUCOHSAFKPT-VXGBXAGGSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccc(Br)cc1 ZINC000245934151 334224734 /nfs/dbraw/zinc/22/47/34/334224734.db2.gz ZFBUUCOHSAFKPT-VXGBXAGGSA-N 1 1 295.224 3.992 20 30 CHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000550999547 334235759 /nfs/dbraw/zinc/23/57/59/334235759.db2.gz KVTMQJPVGYANJT-MRXNPFEDSA-N 1 1 297.402 3.541 20 30 CHEDMO C=C(C)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000551736438 334259596 /nfs/dbraw/zinc/25/95/96/334259596.db2.gz FHFLMZSGXFSYJI-UHFFFAOYSA-N 1 1 280.209 3.773 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@H]2CCC[C@@H]21 ZINC000552139688 334294294 /nfs/dbraw/zinc/29/42/94/334294294.db2.gz RVXHQUJQCCDFNG-UONOGXRCSA-N 1 1 260.406 3.630 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000249273263 334330647 /nfs/dbraw/zinc/33/06/47/334330647.db2.gz LDGPGDIHIYBXLW-DNVCBOLYSA-N 1 1 291.398 3.806 20 30 CHEDMO C=CCCC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000249437275 334334021 /nfs/dbraw/zinc/33/40/21/334334021.db2.gz SKJPTEPPOXYESW-DZFIZOCASA-N 1 1 286.463 3.699 20 30 CHEDMO CC[C@@H](C[N@@H+](CC)C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000249450481 334334218 /nfs/dbraw/zinc/33/42/18/334334218.db2.gz OISUOEGPFUHSFZ-SJORKVTESA-N 1 1 283.419 3.946 20 30 CHEDMO Cc1[nH+]c(NCc2ccc(C#N)o2)ccc1-c1ccccc1 ZINC000576673119 335233181 /nfs/dbraw/zinc/23/31/81/335233181.db2.gz JSEJDSNIJVRHKP-UHFFFAOYSA-N 1 1 289.338 3.556 20 30 CHEDMO CCc1ccc([C@H]2C[N@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000576733946 335241383 /nfs/dbraw/zinc/24/13/83/335241383.db2.gz JTEZLHHROGPPCV-QGZVFWFLSA-N 1 1 286.419 3.562 20 30 CHEDMO CCc1ccc([C@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000576733946 335241385 /nfs/dbraw/zinc/24/13/85/335241385.db2.gz JTEZLHHROGPPCV-QGZVFWFLSA-N 1 1 286.419 3.562 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000349426618 335467094 /nfs/dbraw/zinc/46/70/94/335467094.db2.gz WGPIIMVNXWMREX-MZMPZRCHSA-N 1 1 295.361 3.592 20 30 CHEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1[N+](=O)[O-] ZINC000179095152 335473109 /nfs/dbraw/zinc/47/31/09/335473109.db2.gz YOCGVBYXQOIBTK-ZDUSSCGKSA-N 1 1 295.342 3.626 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccoc1 ZINC000181574616 335771595 /nfs/dbraw/zinc/77/15/95/335771595.db2.gz UNAFMQMLCPYAJM-CZUORRHYSA-N 1 1 254.333 3.975 20 30 CHEDMO CC(C)c1cccc2c1CC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000581200409 336023899 /nfs/dbraw/zinc/02/38/99/336023899.db2.gz GVGMFEVZDDHAKI-UHFFFAOYSA-N 1 1 291.398 3.635 20 30 CHEDMO CC(C)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000581200409 336023900 /nfs/dbraw/zinc/02/39/00/336023900.db2.gz GVGMFEVZDDHAKI-UHFFFAOYSA-N 1 1 291.398 3.635 20 30 CHEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000581483469 336087084 /nfs/dbraw/zinc/08/70/84/336087084.db2.gz OWLWAGLQVVAQCI-DZGCQCFKSA-N 1 1 285.391 3.635 20 30 CHEDMO CC(C)(C#N)CCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000383122354 336104491 /nfs/dbraw/zinc/10/44/91/336104491.db2.gz ZMDGTYJOYHAJGG-UHFFFAOYSA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000383122354 336104492 /nfs/dbraw/zinc/10/44/92/336104492.db2.gz ZMDGTYJOYHAJGG-UHFFFAOYSA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000383122354 336104494 /nfs/dbraw/zinc/10/44/94/336104494.db2.gz ZMDGTYJOYHAJGG-UHFFFAOYSA-N 1 1 299.462 3.523 20 30 CHEDMO CC[N@@H+](CCCCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000103226876 521000016 /nfs/dbraw/zinc/00/00/16/521000016.db2.gz XWPAFZILILSYOV-OAHLLOKOSA-N 1 1 274.408 3.758 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000072901750 521711792 /nfs/dbraw/zinc/71/17/92/521711792.db2.gz XYMRGCQFHKDDHO-CYBMUJFWSA-N 1 1 262.422 3.522 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000336023615 534004373 /nfs/dbraw/zinc/00/43/73/534004373.db2.gz RMNUJUHZCWVEIL-FZKQIMNGSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000336023615 534004381 /nfs/dbraw/zinc/00/43/81/534004381.db2.gz RMNUJUHZCWVEIL-FZKQIMNGSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1(C)C ZINC000336010735 534054923 /nfs/dbraw/zinc/05/49/23/534054923.db2.gz MCNYQKVQENZTQU-DOMZBBRYSA-N 1 1 285.391 3.503 20 30 CHEDMO C[C@H](c1ccccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000352463019 534138338 /nfs/dbraw/zinc/13/83/38/534138338.db2.gz HSEHYFMDERJCTM-LLVKDONJSA-N 1 1 266.747 3.729 20 30 CHEDMO Cc1cc(C[N@H+](C)C2CCC(F)(F)CC2)ccc1C#N ZINC000347620705 534167463 /nfs/dbraw/zinc/16/74/63/534167463.db2.gz SIGICGQDIZJHMM-UHFFFAOYSA-N 1 1 278.346 3.876 20 30 CHEDMO CCC(=O)CCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000290119931 521071417 /nfs/dbraw/zinc/07/14/17/521071417.db2.gz UDYYJGGVNRMPCI-CQSZACIVSA-N 1 1 272.392 3.700 20 30 CHEDMO CC[N@@H+](C[C@@H]1CCSC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000278374529 521231382 /nfs/dbraw/zinc/23/13/82/521231382.db2.gz CBUJBFVYTAIHAA-ZFWWWQNUSA-N 1 1 274.433 3.694 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000354112394 521288059 /nfs/dbraw/zinc/28/80/59/521288059.db2.gz XWXJSMLBVHIGBY-UHFFFAOYSA-N 1 1 298.411 3.577 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000354112394 521288068 /nfs/dbraw/zinc/28/80/68/521288068.db2.gz XWXJSMLBVHIGBY-UHFFFAOYSA-N 1 1 298.411 3.577 20 30 CHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000277375033 522053801 /nfs/dbraw/zinc/05/38/01/522053801.db2.gz XHMNEFLTSXKOMR-YNEHKIRRSA-N 1 1 297.406 3.602 20 30 CHEDMO C[N@@H+](CCCCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000130876739 522726401 /nfs/dbraw/zinc/72/64/01/522726401.db2.gz VFDBGRZPLITBQH-UHFFFAOYSA-N 1 1 270.298 3.723 20 30 CHEDMO C[N@H+]1CCCC[C@H]1CCSc1cccc(C#N)c1 ZINC000340695163 523798715 /nfs/dbraw/zinc/79/87/15/523798715.db2.gz IXQCDHSBHRBAPO-AWEZNQCLSA-N 1 1 260.406 3.525 20 30 CHEDMO 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3.919 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052073645 1119281923 /nfs/dbraw/zinc/28/19/23/1119281923.db2.gz RYIOFWKACYTEDD-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nc(C)c(C)[nH]2)CCCC1(C)C ZINC000628253084 1128836389 /nfs/dbraw/zinc/83/63/89/1128836389.db2.gz SSLRBUNODDAXFF-CQSZACIVSA-N 1 1 261.413 3.593 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000583543654 1119374412 /nfs/dbraw/zinc/37/44/12/1119374412.db2.gz IGAUHMKUJZCXCH-KDOFPFPSSA-N 1 1 277.371 3.504 20 30 CHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC2(C#N)CC2)o1 ZINC000343318343 1119384319 /nfs/dbraw/zinc/38/43/19/1119384319.db2.gz GLWHSJJJHUUHDK-ZFWWWQNUSA-N 1 1 272.392 3.919 20 30 CHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC2(C#N)CC2)o1 ZINC000343318343 1119384322 /nfs/dbraw/zinc/38/43/22/1119384322.db2.gz GLWHSJJJHUUHDK-ZFWWWQNUSA-N 1 1 272.392 3.919 20 30 CHEDMO N#CC1(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000343323668 1119384647 /nfs/dbraw/zinc/38/46/47/1119384647.db2.gz VCROFEBAXZJNHC-MRXNPFEDSA-N 1 1 254.377 3.560 20 30 CHEDMO CC[C@H]([NH2+]Cc1cc(C)cs1)c1cccc(C#N)c1O ZINC000926517780 1119390223 /nfs/dbraw/zinc/39/02/23/1119390223.db2.gz FLAXSUJGFYECRI-HNNXBMFYSA-N 1 1 286.400 3.875 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000250264163 1119405537 /nfs/dbraw/zinc/40/55/37/1119405537.db2.gz WDBDMVNXCTVCNB-SJORKVTESA-N 1 1 254.377 3.570 20 30 CHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000131175860 1119425559 /nfs/dbraw/zinc/42/55/59/1119425559.db2.gz VTTIJMHQOTVOTE-UHFFFAOYSA-N 1 1 260.381 3.964 20 30 CHEDMO CC[N@H+](CCC#N)CCCc1ccccc1Br ZINC000343529547 1119443844 /nfs/dbraw/zinc/44/38/44/1119443844.db2.gz BTGRABJAZSKPPH-UHFFFAOYSA-N 1 1 295.224 3.617 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCc1ccc(C(C)(C)C)cc1 ZINC000584025710 1119461874 /nfs/dbraw/zinc/46/18/74/1119461874.db2.gz UJBIMHDDQXLBFA-AWEZNQCLSA-N 1 1 258.409 3.618 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccc(C(C)(C)C)cc1 ZINC000584025710 1119461878 /nfs/dbraw/zinc/46/18/78/1119461878.db2.gz UJBIMHDDQXLBFA-AWEZNQCLSA-N 1 1 258.409 3.618 20 30 CHEDMO N#CCCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000343627586 1119473563 /nfs/dbraw/zinc/47/35/63/1119473563.db2.gz QKIWRQWTDPLUCM-UHFFFAOYSA-N 1 1 290.164 3.713 20 30 CHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000329676549 1119477539 /nfs/dbraw/zinc/47/75/39/1119477539.db2.gz WFOYAWIOGRRFNV-MRXNPFEDSA-N 1 1 297.402 3.658 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cncc(OC)c1 ZINC000343740396 1119499685 /nfs/dbraw/zinc/49/96/85/1119499685.db2.gz FIXRAFGHHYZJLD-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO CC[N@H+](CCC#N)CCCc1ccc(Cl)cc1 ZINC000081039541 1119508909 /nfs/dbraw/zinc/50/89/09/1119508909.db2.gz QZFUDWFARBLIPA-UHFFFAOYSA-N 1 1 250.773 3.508 20 30 CHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C)c2Cl)no1 ZINC001212325297 1128851151 /nfs/dbraw/zinc/85/11/51/1128851151.db2.gz MWEKFPLSWULGHY-LBPRGKRZSA-N 1 1 289.766 3.502 20 30 CHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1[N+](=O)[O-] ZINC000179095142 1119548401 /nfs/dbraw/zinc/54/84/01/1119548401.db2.gz YOCGVBYXQOIBTK-CYBMUJFWSA-N 1 1 295.342 3.626 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000628406986 1128855903 /nfs/dbraw/zinc/85/59/03/1128855903.db2.gz VZWZZXBFROCFKK-GFCCVEGCSA-N 1 1 250.411 3.665 20 30 CHEDMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480531748 1119591964 /nfs/dbraw/zinc/59/19/64/1119591964.db2.gz YDCYEQVWLMKRKQ-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO COCC#CC[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000685587777 1119635006 /nfs/dbraw/zinc/63/50/06/1119635006.db2.gz XJHKANQMZBVHPS-OAHLLOKOSA-N 1 1 298.213 3.684 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(N2CCCCC2)C1 ZINC000657999096 1119664834 /nfs/dbraw/zinc/66/48/34/1119664834.db2.gz FDVKSCGRGPAKII-AQEOSJORSA-N 1 1 276.468 3.728 20 30 CHEDMO C=CCCC1(C[NH2+][C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000658096346 1119682012 /nfs/dbraw/zinc/68/20/12/1119682012.db2.gz DWBNIDGILRRQTE-CVEARBPZSA-N 1 1 264.457 3.585 20 30 CHEDMO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166323 1119739889 /nfs/dbraw/zinc/73/98/89/1119739889.db2.gz SEGSZJNJUVNDDR-CVEARBPZSA-N 1 1 260.356 3.902 20 30 CHEDMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166323 1119739890 /nfs/dbraw/zinc/73/98/90/1119739890.db2.gz SEGSZJNJUVNDDR-CVEARBPZSA-N 1 1 260.356 3.902 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000179702854 1119758140 /nfs/dbraw/zinc/75/81/40/1119758140.db2.gz IPOVYTGFAPPJAR-OAHLLOKOSA-N 1 1 274.408 3.844 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000612405633 1119784650 /nfs/dbraw/zinc/78/46/50/1119784650.db2.gz BNWSJIPJSKMSIE-INIZCTEOSA-N 1 1 254.333 3.558 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000612405633 1119784652 /nfs/dbraw/zinc/78/46/52/1119784652.db2.gz BNWSJIPJSKMSIE-INIZCTEOSA-N 1 1 254.333 3.558 20 30 CHEDMO C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545271819 1119833268 /nfs/dbraw/zinc/83/32/68/1119833268.db2.gz KMYRWSRXGSQKEC-WDSOQIARSA-N 1 1 286.463 3.841 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140808019 1119957306 /nfs/dbraw/zinc/95/73/06/1119957306.db2.gz JRWWGSNBKMTALP-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000472582158 1119979629 /nfs/dbraw/zinc/97/96/29/1119979629.db2.gz PPLLBRVUFHQDBR-JKIFEVAISA-N 1 1 277.383 3.536 20 30 CHEDMO C[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181557634 1128887674 /nfs/dbraw/zinc/88/76/74/1128887674.db2.gz UIBRVKSNCGJYKU-CVEARBPZSA-N 1 1 299.462 3.719 20 30 CHEDMO C[C@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181557634 1128887676 /nfs/dbraw/zinc/88/76/76/1128887676.db2.gz UIBRVKSNCGJYKU-CVEARBPZSA-N 1 1 299.462 3.719 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000628406265 1120011690 /nfs/dbraw/zinc/01/16/90/1120011690.db2.gz FVUFWANKNAXDLD-CQSZACIVSA-N 1 1 299.393 3.624 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000613540370 1120020342 /nfs/dbraw/zinc/02/03/42/1120020342.db2.gz OVDFHGKITJGXLI-RUXDESIVSA-N 1 1 288.357 3.981 20 30 CHEDMO CC(C)[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1F ZINC000903102307 1120069600 /nfs/dbraw/zinc/06/96/00/1120069600.db2.gz VZEQUPBQDMSSJM-AWEZNQCLSA-N 1 1 266.335 3.801 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@@H]1CCCO1 ZINC000903313168 1120081991 /nfs/dbraw/zinc/08/19/91/1120081991.db2.gz JMQFVWWCPULKDW-KBPBESRZSA-N 1 1 292.423 3.576 20 30 CHEDMO C[N@@H+](CCCC(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000296185451 1120116093 /nfs/dbraw/zinc/11/60/93/1120116093.db2.gz BGLRJSNTOSPLMG-UHFFFAOYSA-N 1 1 292.382 3.653 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000301287965 1120133133 /nfs/dbraw/zinc/13/31/33/1120133133.db2.gz PBMHEQABRKHGTQ-SJLPKXTDSA-N 1 1 297.446 3.649 20 30 CHEDMO CN(Cc1cccc(C#N)c1)c1cc[nH+]c2ccsc21 ZINC000301355847 1120134630 /nfs/dbraw/zinc/13/46/30/1120134630.db2.gz KHTWVGCIYVJDCS-UHFFFAOYSA-N 1 1 279.368 3.804 20 30 CHEDMO C[C@H](CC(C)(C)C#N)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000924604214 1120140007 /nfs/dbraw/zinc/14/00/07/1120140007.db2.gz LVXNFYDNMHGINP-SJLPKXTDSA-N 1 1 299.462 3.741 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc2ccccc21 ZINC000472744757 1120158097 /nfs/dbraw/zinc/15/80/97/1120158097.db2.gz CYXCPIXDAWJJJV-QGZVFWFLSA-N 1 1 269.388 3.599 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1c2ccccc2oc1CC ZINC000472747885 1120158993 /nfs/dbraw/zinc/15/89/93/1120158993.db2.gz JQJQWTPADUWOJB-CQSZACIVSA-N 1 1 287.403 3.754 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000472761361 1120163894 /nfs/dbraw/zinc/16/38/94/1120163894.db2.gz DWDAMJVKVQPDEU-JKSUJKDBSA-N 1 1 261.409 3.623 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000472774434 1120171768 /nfs/dbraw/zinc/17/17/68/1120171768.db2.gz PUQSXJRPOQJRFW-SFHVURJKSA-N 1 1 269.388 3.599 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000472778828 1120173011 /nfs/dbraw/zinc/17/30/11/1120173011.db2.gz OLOPBPYKJRIZDS-WBVHZDCISA-N 1 1 261.409 3.614 20 30 CHEDMO Cc1oc2ccccc2c1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000926874067 1120174343 /nfs/dbraw/zinc/17/43/43/1120174343.db2.gz MYUWQXASICXXGE-NSHDSACASA-N 1 1 256.349 3.942 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000404249647 1120176594 /nfs/dbraw/zinc/17/65/94/1120176594.db2.gz INOQHNBMHQTBMO-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361689520 1120191252 /nfs/dbraw/zinc/19/12/52/1120191252.db2.gz MVAIMOUQSHMPHK-LLVKDONJSA-N 1 1 286.375 3.878 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361689520 1120191254 /nfs/dbraw/zinc/19/12/54/1120191254.db2.gz MVAIMOUQSHMPHK-LLVKDONJSA-N 1 1 286.375 3.878 20 30 CHEDMO C=CC[C@H]([NH2+]Cc1cc(C)cnc1Cl)c1ccncc1 ZINC000921748138 1120195082 /nfs/dbraw/zinc/19/50/82/1120195082.db2.gz SUBUDRXBXJQMRI-HNNXBMFYSA-N 1 1 287.794 3.845 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000060464751 1120198870 /nfs/dbraw/zinc/19/88/70/1120198870.db2.gz NIWWVBAYZDYLBX-HNNXBMFYSA-N 1 1 298.411 3.836 20 30 CHEDMO N#CCC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000542881944 1120227923 /nfs/dbraw/zinc/22/79/23/1120227923.db2.gz WOVKRDCRXBWNKU-UHFFFAOYSA-N 1 1 299.349 3.606 20 30 CHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000677047340 1120239418 /nfs/dbraw/zinc/23/94/18/1120239418.db2.gz WLOWYDRXMUUJNO-LBPRGKRZSA-N 1 1 267.319 3.522 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1cccc(F)c1F ZINC000111395344 1120260485 /nfs/dbraw/zinc/26/04/85/1120260485.db2.gz ZGZAKAOUBFPQPR-UHFFFAOYSA-N 1 1 289.325 3.819 20 30 CHEDMO N#Cc1cccc(C[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000064411955 1120287073 /nfs/dbraw/zinc/28/70/73/1120287073.db2.gz DOEVPHOEZVIEQO-UHFFFAOYSA-N 1 1 295.367 3.565 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000130943767 1120339418 /nfs/dbraw/zinc/33/94/18/1120339418.db2.gz SMLQPKUMSQQJBD-INIZCTEOSA-N 1 1 298.411 3.965 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)s1 ZINC000130962328 1120349168 /nfs/dbraw/zinc/34/91/68/1120349168.db2.gz AJZRXXZGNPOMGO-OAHLLOKOSA-N 1 1 260.406 3.774 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506095 1120382485 /nfs/dbraw/zinc/38/24/85/1120382485.db2.gz XTTZQUWGMBSXBH-UHFFFAOYSA-N 1 1 263.690 3.977 20 30 CHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930845433 1120447373 /nfs/dbraw/zinc/44/73/73/1120447373.db2.gz HKSRYNLVPKZYIN-AWEZNQCLSA-N 1 1 297.427 3.566 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000011470483 1120452918 /nfs/dbraw/zinc/45/29/18/1120452918.db2.gz XDAFLBJQNXQJCS-PBHICJAKSA-N 1 1 272.367 3.852 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000543185986 1120455901 /nfs/dbraw/zinc/45/59/01/1120455901.db2.gz QTCTVPSZUCDVFM-FHLIZLRMSA-N 1 1 268.404 3.763 20 30 CHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCC[C@H]1C ZINC000499699572 1120475507 /nfs/dbraw/zinc/47/55/07/1120475507.db2.gz ZDQNPEZJTRPDSQ-SJORKVTESA-N 1 1 292.467 3.988 20 30 CHEDMO Cc1occc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092438575 1120479517 /nfs/dbraw/zinc/47/95/17/1120479517.db2.gz HULHVQZOCLKDND-CYBMUJFWSA-N 1 1 284.359 3.511 20 30 CHEDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccccc1C#N ZINC000053422316 1120494760 /nfs/dbraw/zinc/49/47/60/1120494760.db2.gz OFLULOWHBVSROW-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1C#N ZINC000053422316 1120494763 /nfs/dbraw/zinc/49/47/63/1120494763.db2.gz OFLULOWHBVSROW-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925638216 1120501641 /nfs/dbraw/zinc/50/16/41/1120501641.db2.gz YTIFHLUKZDBKTR-JKSUJKDBSA-N 1 1 280.371 3.715 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1cncn1CC)c1ccc(F)c(F)c1 ZINC000418005826 1120504590 /nfs/dbraw/zinc/50/45/90/1120504590.db2.gz LLVBEBQZSFVXID-MRXNPFEDSA-N 1 1 291.345 3.588 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC2(CCC2)O1 ZINC000931062992 1120518695 /nfs/dbraw/zinc/51/86/95/1120518695.db2.gz NRZUPHSYDBRCFN-OWCLPIDISA-N 1 1 261.409 3.661 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@@H]21 ZINC000378846673 1120530289 /nfs/dbraw/zinc/53/02/89/1120530289.db2.gz STQXWGHQSFBLEA-JKSUJKDBSA-N 1 1 272.367 3.708 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000154674537 1120554600 /nfs/dbraw/zinc/55/46/00/1120554600.db2.gz ZSFZRSURWRSBQW-UHFFFAOYSA-N 1 1 286.400 3.650 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000093480737 1120560768 /nfs/dbraw/zinc/56/07/68/1120560768.db2.gz IZCXBLOEOSLDGV-UKRRQHHQSA-N 1 1 260.406 3.774 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000046777294 1120562605 /nfs/dbraw/zinc/56/26/05/1120562605.db2.gz VJBFKVWURPOSBI-UHFFFAOYSA-N 1 1 285.334 3.695 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092748332 1120563382 /nfs/dbraw/zinc/56/33/82/1120563382.db2.gz RYVYMLPUOSFSPR-ZDUSSCGKSA-N 1 1 286.350 3.636 20 30 CHEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093642847 1120563753 /nfs/dbraw/zinc/56/37/53/1120563753.db2.gz MRZIJBHROPNSSJ-MRXNPFEDSA-N 1 1 296.418 3.607 20 30 CHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093845171 1120567904 /nfs/dbraw/zinc/56/79/04/1120567904.db2.gz GKADDASTFFSXAG-YOEHRIQHSA-N 1 1 296.418 3.607 20 30 CHEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000508992608 1120579456 /nfs/dbraw/zinc/57/94/56/1120579456.db2.gz WBBQVRWYZWWCIR-HNNXBMFYSA-N 1 1 297.345 3.628 20 30 CHEDMO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2F)cc1C#N ZINC000125023006 1120594039 /nfs/dbraw/zinc/59/40/39/1120594039.db2.gz YVVCXVKSHVEHPN-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2F)cc1C#N ZINC000125023006 1120594041 /nfs/dbraw/zinc/59/40/41/1120594041.db2.gz YVVCXVKSHVEHPN-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO C=CCOCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000338888598 1120620713 /nfs/dbraw/zinc/62/07/13/1120620713.db2.gz SUOGGTKCFTWQQI-XJKSGUPXSA-N 1 1 275.392 3.570 20 30 CHEDMO C#CCOc1ccccc1C[NH2+]Cc1sccc1Cl ZINC000785471059 1120623614 /nfs/dbraw/zinc/62/36/14/1120623614.db2.gz UGGYBFPCKXMTRW-UHFFFAOYSA-N 1 1 291.803 3.703 20 30 CHEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]1C2(F)F ZINC000335875865 1120645833 /nfs/dbraw/zinc/64/58/33/1120645833.db2.gz GRZKSYNLVTXJGD-KGLIPLIRSA-N 1 1 296.748 3.689 20 30 CHEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]1C2(F)F ZINC000335875865 1120645836 /nfs/dbraw/zinc/64/58/36/1120645836.db2.gz GRZKSYNLVTXJGD-KGLIPLIRSA-N 1 1 296.748 3.689 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000678261916 1120653353 /nfs/dbraw/zinc/65/33/53/1120653353.db2.gz AFELDHYQDSUDMN-MRXNPFEDSA-N 1 1 283.371 3.834 20 30 CHEDMO CCC(CC)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509123733 1120653593 /nfs/dbraw/zinc/65/35/93/1120653593.db2.gz NGGHBGVUIXGVFM-UHFFFAOYSA-N 1 1 285.435 3.507 20 30 CHEDMO CCCCCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000186798252 1120669556 /nfs/dbraw/zinc/66/95/56/1120669556.db2.gz MIVKFLRHZMUXTL-UHFFFAOYSA-N 1 1 271.470 3.555 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)Cc2ccccc2O1 ZINC000429159377 1120691453 /nfs/dbraw/zinc/69/14/53/1120691453.db2.gz LTKMIDLGVXOHPT-HNNXBMFYSA-N 1 1 292.382 3.536 20 30 CHEDMO N#C[C@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC001207526954 1120733073 /nfs/dbraw/zinc/73/30/73/1120733073.db2.gz SHFGULPOPUTWDO-MRXNPFEDSA-N 1 1 276.383 3.664 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000661378916 1120760049 /nfs/dbraw/zinc/76/00/49/1120760049.db2.gz OKYMLFXGQXIMIQ-LBPRGKRZSA-N 1 1 289.404 3.586 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000661378916 1120760052 /nfs/dbraw/zinc/76/00/52/1120760052.db2.gz OKYMLFXGQXIMIQ-LBPRGKRZSA-N 1 1 289.404 3.586 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nsc2C)C1 ZINC000661385430 1120761364 /nfs/dbraw/zinc/76/13/64/1120761364.db2.gz OPIZXNZUTASNJA-CYBMUJFWSA-N 1 1 250.411 3.548 20 30 CHEDMO C=CCOCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511890288 1120776359 /nfs/dbraw/zinc/77/63/59/1120776359.db2.gz DNMMVXAOKWCTNZ-GUDVDZBRSA-N 1 1 285.431 3.847 20 30 CHEDMO Cc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623582 1120785926 /nfs/dbraw/zinc/78/59/26/1120785926.db2.gz UKTSWPAFCWAYSW-CYBMUJFWSA-N 1 1 294.345 3.722 20 30 CHEDMO Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623582 1120785929 /nfs/dbraw/zinc/78/59/29/1120785929.db2.gz UKTSWPAFCWAYSW-CYBMUJFWSA-N 1 1 294.345 3.722 20 30 CHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000182194285 1128940519 /nfs/dbraw/zinc/94/05/19/1128940519.db2.gz WDNKGDJEWXEMMS-UHFFFAOYSA-N 1 1 294.398 3.597 20 30 CHEDMO C=CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)(C)C ZINC000661758018 1120809942 /nfs/dbraw/zinc/80/99/42/1120809942.db2.gz OLRLATPRCJPYAQ-HNNXBMFYSA-N 1 1 294.483 3.558 20 30 CHEDMO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)C(C)(C)C ZINC000661759492 1120810424 /nfs/dbraw/zinc/81/04/24/1120810424.db2.gz HUSJRCKOTNGAMP-UHFFFAOYSA-N 1 1 289.354 3.662 20 30 CHEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)C(C)(C)C ZINC000661759492 1120810428 /nfs/dbraw/zinc/81/04/28/1120810428.db2.gz HUSJRCKOTNGAMP-UHFFFAOYSA-N 1 1 289.354 3.662 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)C(C)(C)C ZINC000661760745 1120811673 /nfs/dbraw/zinc/81/16/73/1120811673.db2.gz YWSBUOVLOVVPMD-UHFFFAOYSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000054181634 1120847894 /nfs/dbraw/zinc/84/78/94/1120847894.db2.gz HUHHCEUFCNDRSL-GFCCVEGCSA-N 1 1 256.374 3.664 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1C(C)C ZINC000662082804 1120872450 /nfs/dbraw/zinc/87/24/50/1120872450.db2.gz YAYNWZSRVUDOMT-IYBDPMFKSA-N 1 1 298.430 3.932 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(COC)cc1 ZINC000662090483 1120873620 /nfs/dbraw/zinc/87/36/20/1120873620.db2.gz PGGQYKTVHAYHEH-CALCHBBNSA-N 1 1 257.377 3.516 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCOC(C)(C)C ZINC000662091556 1120875034 /nfs/dbraw/zinc/87/50/34/1120875034.db2.gz ZUWGYTAJNACQML-GASCZTMLSA-N 1 1 251.414 3.765 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000618887421 1128947965 /nfs/dbraw/zinc/94/79/65/1128947965.db2.gz ZLEDPTCNAJKTGL-DOTOQJQBSA-N 1 1 271.408 3.939 20 30 CHEDMO CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000053899152 1120921654 /nfs/dbraw/zinc/92/16/54/1120921654.db2.gz LDJSGUOKWUMULI-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000053899152 1120921656 /nfs/dbraw/zinc/92/16/56/1120921656.db2.gz LDJSGUOKWUMULI-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000121541569 1120957144 /nfs/dbraw/zinc/95/71/44/1120957144.db2.gz SDIQFCGDBLERGP-LBPRGKRZSA-N 1 1 274.261 3.626 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000893605446 1120972045 /nfs/dbraw/zinc/97/20/45/1120972045.db2.gz GGEOUZGJVJBOMU-HNNXBMFYSA-N 1 1 281.359 3.656 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000303131953 1120988912 /nfs/dbraw/zinc/98/89/12/1120988912.db2.gz CAPXOFLHVXLSKM-UHFFFAOYSA-N 1 1 271.404 3.942 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(CC)s1 ZINC000512031807 1121020873 /nfs/dbraw/zinc/02/08/73/1121020873.db2.gz RBWLJEHUPUOMFR-UHFFFAOYSA-N 1 1 286.444 3.936 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754290 1121029189 /nfs/dbraw/zinc/02/91/89/1121029189.db2.gz FQIIAGLKJSYXSL-UHFFFAOYSA-N 1 1 264.372 3.925 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000191865534 1128958466 /nfs/dbraw/zinc/95/84/66/1128958466.db2.gz VJJDKLVHXZQILK-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO C=CCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001174798664 1121053556 /nfs/dbraw/zinc/05/35/56/1121053556.db2.gz PQNWFTHWVPJMQW-ZDUSSCGKSA-N 1 1 266.182 3.772 20 30 CHEDMO C=CCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001174798664 1121053564 /nfs/dbraw/zinc/05/35/64/1121053564.db2.gz PQNWFTHWVPJMQW-ZDUSSCGKSA-N 1 1 266.182 3.772 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000625703045 1121063773 /nfs/dbraw/zinc/06/37/73/1121063773.db2.gz KMTLGPYDLYABAK-CYBMUJFWSA-N 1 1 270.351 3.772 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001174890463 1121070044 /nfs/dbraw/zinc/07/00/44/1121070044.db2.gz GPKHJDYZDIJYHP-LBPRGKRZSA-N 1 1 280.209 3.847 20 30 CHEDMO N#C[C@H]1CC[C@H](Nc2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC001167843764 1121073268 /nfs/dbraw/zinc/07/32/68/1121073268.db2.gz DONSAWOBNLPJDF-JOCQHMNTSA-N 1 1 294.402 3.936 20 30 CHEDMO C=C(CC)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000773427293 1121100381 /nfs/dbraw/zinc/10/03/81/1121100381.db2.gz FXUMMRYCOVIZIY-HLLBOEOZSA-N 1 1 259.393 3.803 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000674250631 1121106209 /nfs/dbraw/zinc/10/62/09/1121106209.db2.gz CVJQSAXVJIJBFR-OAHLLOKOSA-N 1 1 285.774 3.774 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1 ZINC000512171396 1121137924 /nfs/dbraw/zinc/13/79/24/1121137924.db2.gz XKJQJXYQNOKYFK-HNNXBMFYSA-N 1 1 285.387 3.911 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000172852889 1121165067 /nfs/dbraw/zinc/16/50/67/1121165067.db2.gz XLJXEIOTQWJLIJ-LJQANCHMSA-N 1 1 276.383 3.623 20 30 CHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000893685268 1121169530 /nfs/dbraw/zinc/16/95/30/1121169530.db2.gz MACQBTRRGJINSF-BXKDBHETSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1csc(C#N)c1 ZINC000893685268 1121169535 /nfs/dbraw/zinc/16/95/35/1121169535.db2.gz MACQBTRRGJINSF-BXKDBHETSA-N 1 1 288.338 3.783 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCC[C@@H](C)C1 ZINC000512212088 1121199392 /nfs/dbraw/zinc/19/93/92/1121199392.db2.gz MOAPMTHXMHFIBG-CVEARBPZSA-N 1 1 291.435 3.976 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC001175260198 1121265185 /nfs/dbraw/zinc/26/51/85/1121265185.db2.gz NGZLSLQQVFITNW-OAHLLOKOSA-N 1 1 292.220 3.918 20 30 CHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000512348158 1121281214 /nfs/dbraw/zinc/28/12/14/1121281214.db2.gz XXENSZUDIBCFCX-MRXNPFEDSA-N 1 1 256.393 3.959 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(CCCC)no1 ZINC000662080667 1121284558 /nfs/dbraw/zinc/28/45/58/1121284558.db2.gz PWYBWAXRZJCVDH-MELADBBJSA-N 1 1 275.396 3.656 20 30 CHEDMO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC#N ZINC000337502260 1121321271 /nfs/dbraw/zinc/32/12/71/1121321271.db2.gz MKVRMXUKTBGINA-PKNBQFBNSA-N 1 1 268.282 3.612 20 30 CHEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000512451352 1121354759 /nfs/dbraw/zinc/35/47/59/1121354759.db2.gz YXSLFWPQSVYBKT-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001167904065 1121367188 /nfs/dbraw/zinc/36/71/88/1121367188.db2.gz JCHACGXBJQVYRX-IAGOWNOFSA-N 1 1 292.467 3.722 20 30 CHEDMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC001207671298 1121390395 /nfs/dbraw/zinc/39/03/95/1121390395.db2.gz VNOXLLAFFAZHMM-JKSUJKDBSA-N 1 1 280.456 3.579 20 30 CHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000617338957 1121397124 /nfs/dbraw/zinc/39/71/24/1121397124.db2.gz BPRQCSIFOQOQDT-HNNXBMFYSA-N 1 1 292.467 3.502 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1csc(CCCC)n1 ZINC000048060815 1121445215 /nfs/dbraw/zinc/44/52/15/1121445215.db2.gz YRPCXBNKCQSEJD-UHFFFAOYSA-N 1 1 252.427 3.884 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1csc(CCCC)n1 ZINC000048060815 1121445220 /nfs/dbraw/zinc/44/52/20/1121445220.db2.gz YRPCXBNKCQSEJD-UHFFFAOYSA-N 1 1 252.427 3.884 20 30 CHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@H](c2ccccc2)O1 ZINC000245563278 1121476945 /nfs/dbraw/zinc/47/69/45/1121476945.db2.gz PSGPCEWKHVFARL-RDJZCZTQSA-N 1 1 286.419 3.778 20 30 CHEDMO C=CC[N@@H+](CCC1CCOCC1)Cc1cccs1 ZINC000432922813 1121480713 /nfs/dbraw/zinc/48/07/13/1121480713.db2.gz BVJGPBRGFAIVRD-UHFFFAOYSA-N 1 1 265.422 3.553 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CCC1CCOCC1 ZINC000432926797 1121482643 /nfs/dbraw/zinc/48/26/43/1121482643.db2.gz ZLSSZFMGFSFZAI-UHFFFAOYSA-N 1 1 273.420 3.534 20 30 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CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001252122980 1123223784 /nfs/dbraw/zinc/22/37/84/1123223784.db2.gz AYFIBSDKDSXXEC-SQNIBIBYSA-N 1 1 299.499 3.581 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000665197586 1123226518 /nfs/dbraw/zinc/22/65/18/1123226518.db2.gz GGWHJGRJKRSXSH-WMZOPIPTSA-N 1 1 283.415 3.642 20 30 CHEDMO C=C(C)C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168011314 1123270697 /nfs/dbraw/zinc/27/06/97/1123270697.db2.gz NOHWOBJWQJTSPI-HOTGVXAUSA-N 1 1 272.436 3.594 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000428236999 1123286722 /nfs/dbraw/zinc/28/67/22/1123286722.db2.gz LNHDVOSCJLFLLY-JKSUJKDBSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000428236999 1123286725 /nfs/dbraw/zinc/28/67/25/1123286725.db2.gz LNHDVOSCJLFLLY-JKSUJKDBSA-N 1 1 290.407 3.557 20 30 CHEDMO C[C@@H]1CC([NH2+]CCCCC#N)C[C@@H](C)N1Cc1ccccc1 ZINC001168013662 1123308576 /nfs/dbraw/zinc/30/85/76/1123308576.db2.gz IIPWEJSBYACUAD-IAGOWNOFSA-N 1 1 299.462 3.711 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCC=CO1 ZINC000193792569 1129113955 /nfs/dbraw/zinc/11/39/55/1129113955.db2.gz HGPAHZAMGGUTPJ-OAHLLOKOSA-N 1 1 261.340 3.506 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCC=CO1 ZINC000193792569 1129113957 /nfs/dbraw/zinc/11/39/57/1129113957.db2.gz HGPAHZAMGGUTPJ-OAHLLOKOSA-N 1 1 261.340 3.506 20 30 CHEDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442887736 1123348112 /nfs/dbraw/zinc/34/81/12/1123348112.db2.gz BFHASPNAWCXSCM-CQSZACIVSA-N 1 1 272.392 3.579 20 30 CHEDMO C=CCC[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168015547 1123378910 /nfs/dbraw/zinc/37/89/10/1123378910.db2.gz RKLVNJLFKVMDQD-HOTGVXAUSA-N 1 1 272.436 3.594 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000852099157 1123396542 /nfs/dbraw/zinc/39/65/42/1123396542.db2.gz FUAPYXZDPRATPE-INIZCTEOSA-N 1 1 290.313 3.511 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330672 1123403704 /nfs/dbraw/zinc/40/37/04/1123403704.db2.gz GOBUVVURCBZZCZ-LMMKCTJWSA-N 1 1 297.446 3.765 20 30 CHEDMO C#CCCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477818 1123406435 /nfs/dbraw/zinc/40/64/35/1123406435.db2.gz YOCSWTTXFJLNID-UHFFFAOYSA-N 1 1 282.412 3.582 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000129779913 1123411517 /nfs/dbraw/zinc/41/15/17/1123411517.db2.gz HFPKERLQGLABGF-VIFPVBQESA-N 1 1 259.777 3.951 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cc2ccccc2o1 ZINC000852687393 1123412594 /nfs/dbraw/zinc/41/25/94/1123412594.db2.gz KCVMTLRRBHNCFU-OWCLPIDISA-N 1 1 283.371 3.649 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157005963 1129120965 /nfs/dbraw/zinc/12/09/65/1129120965.db2.gz FCYUGRBHQPXRLY-CYBMUJFWSA-N 1 1 265.784 3.617 20 30 CHEDMO CC(=[NH+]OCC1CCC1)c1ccc(N2CCCC2)cc1O ZINC000853439773 1123441207 /nfs/dbraw/zinc/44/12/07/1123441207.db2.gz PYBXWCDMOPAVJV-UHFFFAOYSA-N 1 1 288.391 3.533 20 30 CHEDMO C[C@@H](C#N)[N@@H+](Cn1ccc(=S)c2ccccc21)C1CC1 ZINC000853547707 1123442965 /nfs/dbraw/zinc/44/29/65/1123442965.db2.gz YFQJCWUYBXUGRI-LBPRGKRZSA-N 1 1 283.400 3.705 20 30 CHEDMO CSc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000895414005 1123476852 /nfs/dbraw/zinc/47/68/52/1123476852.db2.gz JWFHUZBOOGEVIW-UHFFFAOYSA-N 1 1 298.411 3.626 20 30 CHEDMO CSc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000895414005 1123476850 /nfs/dbraw/zinc/47/68/50/1123476850.db2.gz JWFHUZBOOGEVIW-UHFFFAOYSA-N 1 1 298.411 3.626 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC12CCCCC2 ZINC000428292347 1123494602 /nfs/dbraw/zinc/49/46/02/1123494602.db2.gz BHYXPXHSLACVPW-UHFFFAOYSA-N 1 1 272.367 3.996 20 30 CHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000398974127 1123504257 /nfs/dbraw/zinc/50/42/57/1123504257.db2.gz BWYITMNXKLGFEX-QLFBSQMISA-N 1 1 256.393 3.619 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895716882 1123507511 /nfs/dbraw/zinc/50/75/11/1123507511.db2.gz MEECDJIADADELH-QGZVFWFLSA-N 1 1 292.467 3.845 20 30 CHEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1c(F)cccc1F ZINC000776799138 1123511195 /nfs/dbraw/zinc/51/11/95/1123511195.db2.gz NKDYAAUSPIQDAK-GFCCVEGCSA-N 1 1 286.325 3.996 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141854741 1123530083 /nfs/dbraw/zinc/53/00/83/1123530083.db2.gz OAERFROHHXJPNO-GFCCVEGCSA-N 1 1 272.323 3.698 20 30 CHEDMO CCC(=NNc1cc[nH+]cc1)c1c(F)cccc1Cl ZINC000779811316 1129127833 /nfs/dbraw/zinc/12/78/33/1129127833.db2.gz PCGUYXLXBUAXSQ-UHFFFAOYSA-N 1 1 277.730 3.522 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000338980933 1123535632 /nfs/dbraw/zinc/53/56/32/1123535632.db2.gz IWBYJURIYPLKQN-GXFFZTMASA-N 1 1 266.747 3.603 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000338980933 1123535637 /nfs/dbraw/zinc/53/56/37/1123535637.db2.gz IWBYJURIYPLKQN-GXFFZTMASA-N 1 1 266.747 3.603 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000338999958 1123572274 /nfs/dbraw/zinc/57/22/74/1123572274.db2.gz LNNRAGJZMUOSMC-MCIONIFRSA-N 1 1 260.406 3.886 20 30 CHEDMO CC(C)(C#N)CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000157717731 1129132401 /nfs/dbraw/zinc/13/24/01/1129132401.db2.gz LPBHKTLBCPKESJ-UHFFFAOYSA-N 1 1 278.346 3.869 20 30 CHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000157717731 1129132402 /nfs/dbraw/zinc/13/24/02/1129132402.db2.gz LPBHKTLBCPKESJ-UHFFFAOYSA-N 1 1 278.346 3.869 20 30 CHEDMO CC[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141902845 1123603039 /nfs/dbraw/zinc/60/30/39/1123603039.db2.gz GPLJIYLNLMHIRD-CQSZACIVSA-N 1 1 293.208 3.695 20 30 CHEDMO CC[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141902845 1123603041 /nfs/dbraw/zinc/60/30/41/1123603041.db2.gz GPLJIYLNLMHIRD-CQSZACIVSA-N 1 1 293.208 3.695 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346084589 1123608797 /nfs/dbraw/zinc/60/87/97/1123608797.db2.gz SSSJUENTLRRKEG-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346084589 1123608800 /nfs/dbraw/zinc/60/88/00/1123608800.db2.gz SSSJUENTLRRKEG-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO N#CCCC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857866630 1123623452 /nfs/dbraw/zinc/62/34/52/1123623452.db2.gz CYYGQMCFGYECOQ-DLBZAZTESA-N 1 1 294.402 3.812 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858039694 1123628337 /nfs/dbraw/zinc/62/83/37/1123628337.db2.gz HAZLRCCKVCVWRM-MRXNPFEDSA-N 1 1 274.408 3.590 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CC[C@H](C#N)C1 ZINC000335903359 1123650382 /nfs/dbraw/zinc/65/03/82/1123650382.db2.gz MWGMZTSYPSRMDX-UWVGGRQHSA-N 1 1 299.237 3.635 20 30 CHEDMO C=CC[N@H+](Cc1coc(-c2ccccc2F)n1)C(C)C ZINC000859082396 1123683681 /nfs/dbraw/zinc/68/36/81/1123683681.db2.gz XXZWBAGVISCQOO-UHFFFAOYSA-N 1 1 274.339 3.877 20 30 CHEDMO C=CC[N@@H+](Cc1coc(-c2ccccc2F)n1)C(C)C ZINC000859082396 1123683684 /nfs/dbraw/zinc/68/36/84/1123683684.db2.gz XXZWBAGVISCQOO-UHFFFAOYSA-N 1 1 274.339 3.877 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(F)c1 ZINC000859101123 1123684640 /nfs/dbraw/zinc/68/46/40/1123684640.db2.gz MIAKGQNUDPJFSZ-UHFFFAOYSA-N 1 1 297.377 3.751 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1 ZINC000859235012 1123692181 /nfs/dbraw/zinc/69/21/81/1123692181.db2.gz HRGPRWUEOGAPHG-HNNXBMFYSA-N 1 1 289.810 3.871 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cnc(C(C)(C)C)s1 ZINC000158137900 1129139529 /nfs/dbraw/zinc/13/95/29/1129139529.db2.gz BIVNPKPCFFAVCQ-UHFFFAOYSA-N 1 1 250.411 3.615 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cnc(CC(C)C)s1 ZINC000158147057 1129140045 /nfs/dbraw/zinc/14/00/45/1129140045.db2.gz GHDJGGYPBNJKLZ-UHFFFAOYSA-N 1 1 250.411 3.516 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000860046731 1123719433 /nfs/dbraw/zinc/71/94/33/1123719433.db2.gz FNHOQQQFRGUSPF-GFCCVEGCSA-N 1 1 294.609 3.759 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000346841083 1123725886 /nfs/dbraw/zinc/72/58/86/1123725886.db2.gz UBFIUYUJPDCGFA-UHFFFAOYSA-N 1 1 293.208 3.694 20 30 CHEDMO C=CCCC[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000475062378 1123774363 /nfs/dbraw/zinc/77/43/63/1123774363.db2.gz DOAHREDGTNIIBR-INIZCTEOSA-N 1 1 261.409 3.880 20 30 CHEDMO CCN(CCC#N)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055977 1123788639 /nfs/dbraw/zinc/78/86/39/1123788639.db2.gz ZIFMUCOGFMCWMV-IZZQQSIFSA-N 1 1 299.462 3.664 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000862442115 1123809561 /nfs/dbraw/zinc/80/95/61/1123809561.db2.gz AQAFOEUNICKYBJ-QGZVFWFLSA-N 1 1 282.431 3.522 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000862445066 1123810637 /nfs/dbraw/zinc/81/06/37/1123810637.db2.gz LESSPCWFFNAPLA-LLVKDONJSA-N 1 1 299.748 3.787 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000862444539 1123811953 /nfs/dbraw/zinc/81/19/53/1123811953.db2.gz BQFCLGJTYUOBQO-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000862444826 1123812105 /nfs/dbraw/zinc/81/21/05/1123812105.db2.gz HJYBISNOYSSGLN-HNNXBMFYSA-N 1 1 296.439 3.964 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1OC ZINC000794455632 1123834104 /nfs/dbraw/zinc/83/41/04/1123834104.db2.gz COCLVJXMVPBXMJ-QGZVFWFLSA-N 1 1 298.361 3.947 20 30 CHEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403905526 1123835709 /nfs/dbraw/zinc/83/57/09/1123835709.db2.gz WSXWGOKXAUPHOX-GJZGRUSLSA-N 1 1 266.429 3.596 20 30 CHEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186309806 1123837039 /nfs/dbraw/zinc/83/70/39/1123837039.db2.gz UXPXXDXKHLGORP-INIZCTEOSA-N 1 1 274.433 3.584 20 30 CHEDMO C=CC[NH+]1CCC(Nc2cc(C)nc3ccc(F)cc32)CC1 ZINC000301654403 1123921201 /nfs/dbraw/zinc/92/12/01/1123921201.db2.gz HMHSETWBYILSQX-UHFFFAOYSA-N 1 1 299.393 3.745 20 30 CHEDMO C=C(Cl)C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000303693279 1124010887 /nfs/dbraw/zinc/01/08/87/1124010887.db2.gz MNZGIWIDSMZVNG-TZMCWYRMSA-N 1 1 267.825 3.918 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000303693279 1124010892 /nfs/dbraw/zinc/01/08/92/1124010892.db2.gz MNZGIWIDSMZVNG-TZMCWYRMSA-N 1 1 267.825 3.918 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCCc2occc21)c1cccc(C#N)c1O ZINC000866227661 1124039389 /nfs/dbraw/zinc/03/93/89/1124039389.db2.gz BCPKRBJNFZPZIX-NHYWBVRUSA-N 1 1 282.343 3.585 20 30 CHEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C1(C)C ZINC000444640530 1124049671 /nfs/dbraw/zinc/04/96/71/1124049671.db2.gz NPWIZTRANZPIHV-YOEHRIQHSA-N 1 1 280.456 3.842 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1c(C)noc1C ZINC000866313335 1124051455 /nfs/dbraw/zinc/05/14/55/1124051455.db2.gz ZKWMRVFBWVSVKU-BONVTDFDSA-N 1 1 299.374 3.671 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000444704998 1124054418 /nfs/dbraw/zinc/05/44/18/1124054418.db2.gz LVCYBUUWAWPYPA-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000428375648 1124056083 /nfs/dbraw/zinc/05/60/83/1124056083.db2.gz PHRFGWRNKFSISD-UHFFFAOYSA-N 1 1 260.164 3.620 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000428375648 1124056085 /nfs/dbraw/zinc/05/60/85/1124056085.db2.gz PHRFGWRNKFSISD-UHFFFAOYSA-N 1 1 260.164 3.620 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@H]2CC[C@@H](C)O2)CCCC1(C)C ZINC000444784180 1124061518 /nfs/dbraw/zinc/06/15/18/1124061518.db2.gz MXXPSJISSQOWQT-KFWWJZLASA-N 1 1 251.414 3.621 20 30 CHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000444773908 1124062223 /nfs/dbraw/zinc/06/22/23/1124062223.db2.gz TZWWDVYXYSDKOW-CQSZACIVSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC000428393712 1124075978 /nfs/dbraw/zinc/07/59/78/1124075978.db2.gz ZMURXAYWVVLJIH-UHFFFAOYSA-N 1 1 274.589 3.720 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000446731195 1124119145 /nfs/dbraw/zinc/11/91/45/1124119145.db2.gz FKIBEFXABVMSRI-IBGZPJMESA-N 1 1 294.373 3.861 20 30 CHEDMO CC(C)C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000446770202 1124122154 /nfs/dbraw/zinc/12/21/54/1124122154.db2.gz UAQGTKMLBMLMAV-UHFFFAOYSA-N 1 1 261.796 3.812 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(COC)o2)CCCC1(C)C ZINC000446826645 1124124382 /nfs/dbraw/zinc/12/43/82/1124124382.db2.gz JVRZDAKIXNTFNG-INIZCTEOSA-N 1 1 277.408 3.993 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cccc(O)c2OC)CCCC1(C)C ZINC000446829747 1124124449 /nfs/dbraw/zinc/12/44/49/1124124449.db2.gz LDMHLVZMPJQHJN-MRXNPFEDSA-N 1 1 289.419 3.968 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cnc(N(C)C)s2)CCCC1(C)C ZINC000446834426 1124124787 /nfs/dbraw/zinc/12/47/87/1124124787.db2.gz WZFXPCAVSLVPIO-CQSZACIVSA-N 1 1 293.480 3.776 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1OC ZINC000428456407 1124126380 /nfs/dbraw/zinc/12/63/80/1124126380.db2.gz HSJIRDNSECGNQJ-CVEARBPZSA-N 1 1 287.403 3.634 20 30 CHEDMO C=CCCC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000525409047 1124126845 /nfs/dbraw/zinc/12/68/45/1124126845.db2.gz RDBLDGDDRPOUIC-QGZVFWFLSA-N 1 1 272.436 3.549 20 30 CHEDMO CCc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428460106 1124129288 /nfs/dbraw/zinc/12/92/88/1124129288.db2.gz FROHJIARRFSNDZ-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428460106 1124129290 /nfs/dbraw/zinc/12/92/90/1124129290.db2.gz FROHJIARRFSNDZ-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000429714040 1124133455 /nfs/dbraw/zinc/13/34/55/1124133455.db2.gz FYJJWODGWQSZEZ-UKRRQHHQSA-N 1 1 292.810 3.733 20 30 CHEDMO C=CCC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012191 1129170513 /nfs/dbraw/zinc/17/05/13/1129170513.db2.gz RUEWUZVTYNCFTE-GJZGRUSLSA-N 1 1 276.424 3.655 20 30 CHEDMO CCc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)ccc1C#N ZINC001238777757 1131244080 /nfs/dbraw/zinc/24/40/80/1131244080.db2.gz HQSOVTWMWYXHIJ-KGLIPLIRSA-N 1 1 256.393 3.741 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)cc(F)cc2Cl)C1 ZINC001238786107 1131248082 /nfs/dbraw/zinc/24/80/82/1131248082.db2.gz XDGHFUZOENWRPE-GFCCVEGCSA-N 1 1 265.759 3.633 20 30 CHEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC1(C#N)CC1 ZINC001119318189 1131251525 /nfs/dbraw/zinc/25/15/25/1131251525.db2.gz XPCBWWMXHKBYMO-AWEZNQCLSA-N 1 1 272.367 3.697 20 30 CHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000447392217 1124469379 /nfs/dbraw/zinc/46/93/79/1124469379.db2.gz HHNREPDUSBNUSZ-GOSISDBHSA-N 1 1 286.419 3.534 20 30 CHEDMO CC[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc(C#N)cc1 ZINC000447523037 1124481606 /nfs/dbraw/zinc/48/16/06/1124481606.db2.gz SEKZZMVTWPBVNV-GOSISDBHSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447533601 1124482606 /nfs/dbraw/zinc/48/26/06/1124482606.db2.gz RVVALVBQIAWVPN-BXWFABGCSA-N 1 1 299.462 3.862 20 30 CHEDMO CC[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511216 1124482737 /nfs/dbraw/zinc/48/27/37/1124482737.db2.gz SKPFORGXKYGIAD-VQIMIIECSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511216 1124482740 /nfs/dbraw/zinc/48/27/40/1124482740.db2.gz SKPFORGXKYGIAD-VQIMIIECSA-N 1 1 299.462 3.863 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC001204053004 1131264513 /nfs/dbraw/zinc/26/45/13/1131264513.db2.gz YLEMNAREKAXBFG-UHFFFAOYSA-N 1 1 295.382 3.994 20 30 CHEDMO CC([NH2+]Nc1cc(Cl)nc(Cl)c1)=C1CC1(F)F ZINC000819828509 1131265584 /nfs/dbraw/zinc/26/55/84/1131265584.db2.gz GFEACRFQATYGMS-ZETCQYMHSA-N 1 1 280.105 3.831 20 30 CHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(O)c1F ZINC000872057997 1124668918 /nfs/dbraw/zinc/66/89/18/1124668918.db2.gz LYKXTUQHCFNSTC-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449286515 1124684461 /nfs/dbraw/zinc/68/44/61/1124684461.db2.gz HTPYDGAAGKXLDB-CQSZACIVSA-N 1 1 259.397 3.539 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449286515 1124684466 /nfs/dbraw/zinc/68/44/66/1124684466.db2.gz HTPYDGAAGKXLDB-CQSZACIVSA-N 1 1 259.397 3.539 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872258807 1124699273 /nfs/dbraw/zinc/69/92/73/1124699273.db2.gz BETFVXYTMSTRHF-LJQANCHMSA-N 1 1 283.415 3.592 20 30 CHEDMO CC[C@@H]1CCCC[C@@H]1C=[NH+]n1c(SC)nnc1SC ZINC000872417546 1124714256 /nfs/dbraw/zinc/71/42/56/1124714256.db2.gz DRKWPXKWBTXOQP-GHMZBOCLSA-N 1 1 298.481 3.772 20 30 CHEDMO N#Cc1c(F)cccc1CNc1cc(C2CC2)cc[nH+]1 ZINC000873127275 1124740341 /nfs/dbraw/zinc/74/03/41/1124740341.db2.gz LFLUBHGEEONLQK-UHFFFAOYSA-N 1 1 267.307 3.582 20 30 CHEDMO C=CC[N@H+](Cc1nc(Br)cs1)C(C)(C)C ZINC001137783033 1131416509 /nfs/dbraw/zinc/41/65/09/1131416509.db2.gz DVHYBAHRXHBQRW-UHFFFAOYSA-N 1 1 289.242 3.692 20 30 CHEDMO C=CC[N@@H+](Cc1nc(Br)cs1)C(C)(C)C ZINC001137783033 1131416512 /nfs/dbraw/zinc/41/65/12/1131416512.db2.gz DVHYBAHRXHBQRW-UHFFFAOYSA-N 1 1 289.242 3.692 20 30 CHEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ncccc1F ZINC000528829009 1124818607 /nfs/dbraw/zinc/81/86/07/1124818607.db2.gz NLBIWXDTEUQBHY-ZDUSSCGKSA-N 1 1 297.377 3.873 20 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20 30 CHEDMO CCSCC[C@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876798082 1124979212 /nfs/dbraw/zinc/97/92/12/1124979212.db2.gz WUMLMKXWOQNEMZ-NSHDSACASA-N 1 1 297.855 3.570 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876798082 1124979214 /nfs/dbraw/zinc/97/92/14/1124979214.db2.gz WUMLMKXWOQNEMZ-NSHDSACASA-N 1 1 297.855 3.570 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000120834945 1124993817 /nfs/dbraw/zinc/99/38/17/1124993817.db2.gz UNZMNQGEDNKGQO-HUUCEWRRSA-N 1 1 278.440 3.596 20 30 CHEDMO C=C1CC[NH+](Cc2ccc(Cl)c(OC)c2)CC1 ZINC000450394283 1125005733 /nfs/dbraw/zinc/00/57/33/1125005733.db2.gz PWJCDECROCKKAD-UHFFFAOYSA-N 1 1 251.757 3.501 20 30 CHEDMO Cc1ccc([C@@H]2CSCC[N@@H+]2CC2(C#N)CCC2)cc1 ZINC000450403014 1125013969 /nfs/dbraw/zinc/01/39/69/1125013969.db2.gz APRGFYNMTQVJPB-INIZCTEOSA-N 1 1 286.444 3.779 20 30 CHEDMO Cc1ccc([C@@H]2CSCC[N@H+]2CC2(C#N)CCC2)cc1 ZINC000450403014 1125013974 /nfs/dbraw/zinc/01/39/74/1125013974.db2.gz APRGFYNMTQVJPB-INIZCTEOSA-N 1 1 286.444 3.779 20 30 CHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)C1 ZINC000877192922 1125019330 /nfs/dbraw/zinc/01/93/30/1125019330.db2.gz ULZRERIYRJPLHD-BLLLJJGKSA-N 1 1 289.810 3.619 20 30 CHEDMO Cc1ccc([C@H]2CCCC[N@@H+]2CC2(C#N)CCC2)o1 ZINC000450440746 1125027382 /nfs/dbraw/zinc/02/73/82/1125027382.db2.gz ZQMFVKFHYWUUNR-CQSZACIVSA-N 1 1 258.365 3.809 20 30 CHEDMO Cc1ccc([C@H]2CCCC[N@H+]2CC2(C#N)CCC2)o1 ZINC000450440746 1125027391 /nfs/dbraw/zinc/02/73/91/1125027391.db2.gz ZQMFVKFHYWUUNR-CQSZACIVSA-N 1 1 258.365 3.809 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001137120542 1125030223 /nfs/dbraw/zinc/03/02/23/1125030223.db2.gz SJSYDRPBBPEYBH-SJORKVTESA-N 1 1 284.403 3.601 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(C#N)CCC2)[C@@H]1c1cccc(F)c1 ZINC000450456549 1125034055 /nfs/dbraw/zinc/03/40/55/1125034055.db2.gz UBOUSAVJIWTOCC-BBRMVZONSA-N 1 1 272.367 3.902 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@@H]1c1cccc(F)c1 ZINC000450456551 1125034231 /nfs/dbraw/zinc/03/42/31/1125034231.db2.gz UBOUSAVJIWTOCC-CJNGLKHVSA-N 1 1 272.367 3.902 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)cc(Cl)n1 ZINC000877703964 1125066418 /nfs/dbraw/zinc/06/64/18/1125066418.db2.gz CUFDRIRRWWVQLV-UHFFFAOYSA-N 1 1 299.805 3.590 20 30 CHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001168123812 1125078719 /nfs/dbraw/zinc/07/87/19/1125078719.db2.gz BIWRPKVTUNGJQZ-PBHICJAKSA-N 1 1 256.393 3.959 20 30 CHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CCCC1 ZINC000877969203 1125106694 /nfs/dbraw/zinc/10/66/94/1125106694.db2.gz XTKBBDORHLFQTI-IBGZPJMESA-N 1 1 298.430 3.692 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878020796 1125113663 /nfs/dbraw/zinc/11/36/63/1125113663.db2.gz QKTYSDWRLSPGJY-KBAYOESNSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878020796 1125113666 /nfs/dbraw/zinc/11/36/66/1125113666.db2.gz QKTYSDWRLSPGJY-KBAYOESNSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878020797 1125113916 /nfs/dbraw/zinc/11/39/16/1125113916.db2.gz QKTYSDWRLSPGJY-NJAFHUGGSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878020797 1125113918 /nfs/dbraw/zinc/11/39/18/1125113918.db2.gz QKTYSDWRLSPGJY-NJAFHUGGSA-N 1 1 286.419 3.778 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCCC[C@H]1C)c1ccccc1 ZINC000878105738 1125120668 /nfs/dbraw/zinc/12/06/68/1125120668.db2.gz HXTJMBYVBVPMKS-VQIMIIECSA-N 1 1 298.430 3.692 20 30 CHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878155119 1125124829 /nfs/dbraw/zinc/12/48/29/1125124829.db2.gz KVSNRGMBBUFING-ATZDWAIDSA-N 1 1 298.430 3.547 20 30 CHEDMO C#CCCCCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000878160249 1125125598 /nfs/dbraw/zinc/12/55/98/1125125598.db2.gz JWNKRBLHQYPILU-YWZLYKJASA-N 1 1 291.460 3.610 20 30 CHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878340195 1125142004 /nfs/dbraw/zinc/14/20/04/1125142004.db2.gz JXDRHYBFLSEWSJ-LZQZEXGQSA-N 1 1 298.430 3.690 20 30 CHEDMO CC(C)(C)SCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000878405800 1125150076 /nfs/dbraw/zinc/15/00/76/1125150076.db2.gz LAWIYRGLXMYKAQ-AWEZNQCLSA-N 1 1 254.443 3.534 20 30 CHEDMO C#CCCCCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000878429291 1125153853 /nfs/dbraw/zinc/15/38/53/1125153853.db2.gz ZVVVQYUPRQCULJ-DOTOQJQBSA-N 1 1 256.393 3.658 20 30 CHEDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000530714326 1125173751 /nfs/dbraw/zinc/17/37/51/1125173751.db2.gz DVQVFHVYUJGCEL-MOPGFXCFSA-N 1 1 299.462 3.548 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878729437 1125176594 /nfs/dbraw/zinc/17/65/94/1125176594.db2.gz ZXKACOUHESWDRB-YOEHRIQHSA-N 1 1 284.403 3.653 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878887353 1125183585 /nfs/dbraw/zinc/18/35/85/1125183585.db2.gz CTESMXHYDVKQQV-LJQANCHMSA-N 1 1 295.430 3.519 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878887353 1125183588 /nfs/dbraw/zinc/18/35/88/1125183588.db2.gz CTESMXHYDVKQQV-LJQANCHMSA-N 1 1 295.430 3.519 20 30 CHEDMO C#CCCCCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878902964 1125184691 /nfs/dbraw/zinc/18/46/91/1125184691.db2.gz BDEQZKCODUFIFS-KRWDZBQOSA-N 1 1 293.414 3.613 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878915205 1125184958 /nfs/dbraw/zinc/18/49/58/1125184958.db2.gz QJPQQJCOVXSYPP-SNVBAGLBSA-N 1 1 256.802 3.585 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1Br ZINC000878991810 1125188891 /nfs/dbraw/zinc/18/88/91/1125188891.db2.gz NQIUWJJWGNTYSM-TXEJJXNPSA-N 1 1 293.208 3.527 20 30 CHEDMO C#CC[N@H+](Cc1cccnc1C)[C@H]1CCc2ccccc21 ZINC000127535757 1125198727 /nfs/dbraw/zinc/19/87/27/1125198727.db2.gz TXLHAKIVGMXEOX-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@]1(C)CC1(Cl)Cl ZINC000879432225 1125213824 /nfs/dbraw/zinc/21/38/24/1125213824.db2.gz GAZSLKGMPAHOSU-CQSZACIVSA-N 1 1 297.229 3.616 20 30 CHEDMO N#CCC1(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC000879478345 1125216590 /nfs/dbraw/zinc/21/65/90/1125216590.db2.gz RMPVBQMVALMXIZ-QGZVFWFLSA-N 1 1 272.367 3.641 20 30 CHEDMO N#CCC1(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC000879478345 1125216593 /nfs/dbraw/zinc/21/65/93/1125216593.db2.gz RMPVBQMVALMXIZ-QGZVFWFLSA-N 1 1 272.367 3.641 20 30 CHEDMO C[C@@H]1C[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001168138487 1125217198 /nfs/dbraw/zinc/21/71/98/1125217198.db2.gz QGOAPQQJBCCRBD-CJNGLKHVSA-N 1 1 292.810 3.623 20 30 CHEDMO C[C@@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001168138487 1125217207 /nfs/dbraw/zinc/21/72/07/1125217207.db2.gz QGOAPQQJBCCRBD-CJNGLKHVSA-N 1 1 292.810 3.623 20 30 CHEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CCCC#N ZINC000879640832 1125222048 /nfs/dbraw/zinc/22/20/48/1125222048.db2.gz RRLYEGKLXBAYSI-CQSZACIVSA-N 1 1 260.356 3.697 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)c1 ZINC000879750039 1125229198 /nfs/dbraw/zinc/22/91/98/1125229198.db2.gz MAAOOUJTXRAPAJ-INIZCTEOSA-N 1 1 271.408 3.857 20 30 CHEDMO Cc1c(Cl)ccc2c1C[N@@H+](CCCCC#N)CC2 ZINC000879768826 1125233067 /nfs/dbraw/zinc/23/30/67/1125233067.db2.gz IKMXPVQKUHYANB-UHFFFAOYSA-N 1 1 262.784 3.700 20 30 CHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)n1 ZINC000880009345 1125245612 /nfs/dbraw/zinc/24/56/12/1125245612.db2.gz LTNDNCADVNPLAH-INIZCTEOSA-N 1 1 297.427 3.621 20 30 CHEDMO CCC1(CC)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000880095989 1125250664 /nfs/dbraw/zinc/25/06/64/1125250664.db2.gz XFCQPVAMQJRPCG-UHFFFAOYSA-N 1 1 299.418 3.541 20 30 CHEDMO C[C@@H](c1ccccc1)[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000880248702 1125260189 /nfs/dbraw/zinc/26/01/89/1125260189.db2.gz XNVGYAVIEFQROT-KRWDZBQOSA-N 1 1 299.462 3.695 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CCCSCC#N ZINC000880371371 1125268141 /nfs/dbraw/zinc/26/81/41/1125268141.db2.gz GMAZSDSWOZVBCJ-INIZCTEOSA-N 1 1 274.433 3.644 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@H]2c2ccccc2)o1 ZINC000880389395 1125270891 /nfs/dbraw/zinc/27/08/91/1125270891.db2.gz SOZAFECAONUOBV-KRWDZBQOSA-N 1 1 298.411 3.831 20 30 CHEDMO N#CCCCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387381 1125271602 /nfs/dbraw/zinc/27/16/02/1125271602.db2.gz ILSMBBYJUVNGTL-INIZCTEOSA-N 1 1 274.433 3.860 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1CCCCC ZINC001168152926 1125277825 /nfs/dbraw/zinc/27/78/25/1125277825.db2.gz CNNRTJCGHPLOEI-GFCCVEGCSA-N 1 1 260.219 3.940 20 30 CHEDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000282038880 1125289092 /nfs/dbraw/zinc/28/90/92/1125289092.db2.gz OQYSBUKPNWRNCY-LLVKDONJSA-N 1 1 272.373 3.724 20 30 CHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399252645 1125339307 /nfs/dbraw/zinc/33/93/07/1125339307.db2.gz LWQOTBZHDDFJTP-QGZVFWFLSA-N 1 1 256.393 3.621 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610447630 1125348044 /nfs/dbraw/zinc/34/80/44/1125348044.db2.gz FDYSALLGUGZDHI-QGZVFWFLSA-N 1 1 286.419 3.780 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)cs1 ZINC000350015086 1125357879 /nfs/dbraw/zinc/35/78/79/1125357879.db2.gz LFUMZKJDDQAYSJ-JTQLQIEISA-N 1 1 274.414 3.801 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000350015086 1125357882 /nfs/dbraw/zinc/35/78/82/1125357882.db2.gz LFUMZKJDDQAYSJ-JTQLQIEISA-N 1 1 274.414 3.801 20 30 CHEDMO Cn1cc(C[N@@H+](Cc2ccoc2)C2CCCCC2)cc1C#N ZINC000191387246 1125359801 /nfs/dbraw/zinc/35/98/01/1125359801.db2.gz INSVNTCATNJTPU-UHFFFAOYSA-N 1 1 297.402 3.825 20 30 CHEDMO C=CCCC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000883223337 1125379725 /nfs/dbraw/zinc/37/97/25/1125379725.db2.gz MZANXVZCNKKGEX-IRXDYDNUSA-N 1 1 295.430 3.954 20 30 CHEDMO C=CCCCCC[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000131396602 1125391527 /nfs/dbraw/zinc/39/15/27/1125391527.db2.gz BQFYDYWOUGJWIL-QGZVFWFLSA-N 1 1 286.419 3.596 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cnc(-c2ccccc2)nc1 ZINC000532460507 1125394604 /nfs/dbraw/zinc/39/46/04/1125394604.db2.gz MODWUIKNYXISJZ-UHFFFAOYSA-N 1 1 267.376 3.542 20 30 CHEDMO CSc1cccc(F)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000352899336 1125405256 /nfs/dbraw/zinc/40/52/56/1125405256.db2.gz QNJRPLXUFJVOOG-UHFFFAOYSA-N 1 1 286.375 3.709 20 30 CHEDMO CCc1ccc(NCc2cccc(OCCCC#N)c2)[nH+]c1 ZINC000883385032 1125407332 /nfs/dbraw/zinc/40/73/32/1125407332.db2.gz DAVRJVUGKCQMLE-UHFFFAOYSA-N 1 1 295.386 3.939 20 30 CHEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001253233652 1125413873 /nfs/dbraw/zinc/41/38/73/1125413873.db2.gz KDOPTOSOGPZYAM-HOTGVXAUSA-N 1 1 271.420 3.555 20 30 CHEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001253233651 1125414024 /nfs/dbraw/zinc/41/40/24/1125414024.db2.gz KDOPTOSOGPZYAM-CVEARBPZSA-N 1 1 271.420 3.555 20 30 CHEDMO CC1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001168219787 1125418737 /nfs/dbraw/zinc/41/87/37/1125418737.db2.gz OIYYQQKIVAAXPY-VMWRSERWSA-N 1 1 298.430 3.980 20 30 CHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000348246576 1125430285 /nfs/dbraw/zinc/43/02/85/1125430285.db2.gz RDUPXKIOTRAHHQ-SMDDNHRTSA-N 1 1 282.309 3.525 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000123832766 1125433028 /nfs/dbraw/zinc/43/30/28/1125433028.db2.gz RCKZLLLKJPRDDO-CQSZACIVSA-N 1 1 267.438 3.594 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000429558372 1125438025 /nfs/dbraw/zinc/43/80/25/1125438025.db2.gz FEICLPCHMHMYRZ-CZUORRHYSA-N 1 1 261.796 3.812 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637929800 1129236719 /nfs/dbraw/zinc/23/67/19/1129236719.db2.gz PIDWDVWAIXCMRK-QGZVFWFLSA-N 1 1 281.403 3.559 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637929800 1129236721 /nfs/dbraw/zinc/23/67/21/1129236721.db2.gz PIDWDVWAIXCMRK-QGZVFWFLSA-N 1 1 281.403 3.559 20 30 CHEDMO C=CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246272794 1129265657 /nfs/dbraw/zinc/26/56/57/1129265657.db2.gz RXSAOVNXHLTBMK-DLBZAZTESA-N 1 1 259.393 3.541 20 30 CHEDMO C=CCOCCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000348030015 1129275414 /nfs/dbraw/zinc/27/54/14/1129275414.db2.gz IERSEFSLJSUMMA-UHFFFAOYSA-N 1 1 293.357 3.647 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000348060654 1129278314 /nfs/dbraw/zinc/27/83/14/1129278314.db2.gz UXQWKIQXVZVJDE-OAHLLOKOSA-N 1 1 282.387 3.839 20 30 CHEDMO C=CC[N@@H+](CCc1csc(C)n1)Cc1ccccc1F ZINC000348082142 1129278898 /nfs/dbraw/zinc/27/88/98/1129278898.db2.gz SXHSQQJJRZEDMG-UHFFFAOYSA-N 1 1 290.407 3.821 20 30 CHEDMO C=CC[N@H+](CCc1csc(C)n1)Cc1ccccc1F ZINC000348082142 1129278900 /nfs/dbraw/zinc/27/89/00/1129278900.db2.gz SXHSQQJJRZEDMG-UHFFFAOYSA-N 1 1 290.407 3.821 20 30 CHEDMO C[N@H+](CC1(CC#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000639600930 1129326237 /nfs/dbraw/zinc/32/62/37/1129326237.db2.gz LPQZKKQUUGPBPM-LJQANCHMSA-N 1 1 296.414 3.651 20 30 CHEDMO C[N@@H+](CC1(CC#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000639600930 1129326240 /nfs/dbraw/zinc/32/62/40/1129326240.db2.gz LPQZKKQUUGPBPM-LJQANCHMSA-N 1 1 296.414 3.651 20 30 CHEDMO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308964 1129338864 /nfs/dbraw/zinc/33/88/64/1129338864.db2.gz AENDCTUIHBJSJF-UHFFFAOYSA-N 1 1 278.783 3.617 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308571 1129339789 /nfs/dbraw/zinc/33/97/89/1129339789.db2.gz JORXCBQBNBDVFD-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1 ZINC000719594034 1129345732 /nfs/dbraw/zinc/34/57/32/1129345732.db2.gz HGMGXOFBMDKALQ-UHFFFAOYSA-N 1 1 288.416 3.615 20 30 CHEDMO C=CCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000735563995 1129351575 /nfs/dbraw/zinc/35/15/75/1129351575.db2.gz ZTBWJUIPQCCMOC-UHFFFAOYSA-N 1 1 260.425 3.929 20 30 CHEDMO Cc1cccc2c1CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000735670403 1129356197 /nfs/dbraw/zinc/35/61/97/1129356197.db2.gz DNVIGECFPRDORC-OAHLLOKOSA-N 1 1 276.383 3.986 20 30 CHEDMO Cc1ccccc1OCCC[N@@H+](CCC#N)CC(C)C ZINC000739914129 1129409104 /nfs/dbraw/zinc/40/91/04/1129409104.db2.gz FNSQSVCTYCPQDC-UHFFFAOYSA-N 1 1 274.408 3.636 20 30 CHEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000740841638 1129420703 /nfs/dbraw/zinc/42/07/03/1129420703.db2.gz VIUCTPOEJBVSPT-HOTGVXAUSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000740878794 1129422959 /nfs/dbraw/zinc/42/29/59/1129422959.db2.gz YJKCRKMGYQYJFH-CQSZACIVSA-N 1 1 251.370 3.623 20 30 CHEDMO CCCCCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000740878794 1129422961 /nfs/dbraw/zinc/42/29/61/1129422961.db2.gz YJKCRKMGYQYJFH-CQSZACIVSA-N 1 1 251.370 3.623 20 30 CHEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000248621961 1129424495 /nfs/dbraw/zinc/42/44/95/1129424495.db2.gz NDZDJQKJLUGSSY-LSDHHAIUSA-N 1 1 295.386 3.565 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000248621958 1129424865 /nfs/dbraw/zinc/42/48/65/1129424865.db2.gz NDZDJQKJLUGSSY-HUUCEWRRSA-N 1 1 295.386 3.565 20 30 CHEDMO N#CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000093563263 1129425534 /nfs/dbraw/zinc/42/55/34/1129425534.db2.gz INDAJIZOOJFJOA-WBVHZDCISA-N 1 1 254.377 3.558 20 30 CHEDMO N#CC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000093563263 1129425536 /nfs/dbraw/zinc/42/55/36/1129425536.db2.gz INDAJIZOOJFJOA-WBVHZDCISA-N 1 1 254.377 3.558 20 30 CHEDMO C#CCC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000796113437 1129467463 /nfs/dbraw/zinc/46/74/63/1129467463.db2.gz LGOMOAYPLZKUKX-UHFFFAOYSA-N 1 1 265.759 3.714 20 30 CHEDMO C#CC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796140508 1129468981 /nfs/dbraw/zinc/46/89/81/1129468981.db2.gz ITGWAKJPLLYUSS-CYBMUJFWSA-N 1 1 267.294 3.518 20 30 CHEDMO C=CCOCC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000645081312 1129486954 /nfs/dbraw/zinc/48/69/54/1129486954.db2.gz ZFXQFMJBFVISGN-OAHLLOKOSA-N 1 1 265.397 3.954 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096667 1129522425 /nfs/dbraw/zinc/52/24/25/1129522425.db2.gz RKVDLZXBGNUCPW-GJZGRUSLSA-N 1 1 251.414 3.622 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC000743864470 1129541813 /nfs/dbraw/zinc/54/18/13/1129541813.db2.gz YRRNWJRQVHRNGE-QGZVFWFLSA-N 1 1 263.384 3.753 20 30 CHEDMO C#CC[N@H+](CCCCCCCO)[C@@H]1CCc2ccccc21 ZINC000744388666 1129575447 /nfs/dbraw/zinc/57/54/47/1129575447.db2.gz SQQFUNDLHXJMBG-LJQANCHMSA-N 1 1 285.431 3.552 20 30 CHEDMO C=CC[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000648517090 1129610515 /nfs/dbraw/zinc/61/05/15/1129610515.db2.gz ACWHACFFGDYQSD-UHFFFAOYSA-N 1 1 262.740 3.632 20 30 CHEDMO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746197245 1129629081 /nfs/dbraw/zinc/62/90/81/1129629081.db2.gz NBAWIEXMXUEQJR-QGZVFWFLSA-N 1 1 296.499 3.831 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2c(C)ccnc2C#N)cc1 ZINC001212969833 1129641411 /nfs/dbraw/zinc/64/14/11/1129641411.db2.gz CQNAITGPCXJIIW-UHFFFAOYSA-N 1 1 280.375 3.852 20 30 CHEDMO CC[C@@H](C#N)c1ccc(-c2c[nH+]c(N)cc2C)cc1 ZINC001242090697 1129656792 /nfs/dbraw/zinc/65/67/92/1129656792.db2.gz QYZYQSHDULITGQ-LBPRGKRZSA-N 1 1 251.333 3.656 20 30 CHEDMO CCCCCCC[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000103028045 1129683878 /nfs/dbraw/zinc/68/38/78/1129683878.db2.gz NQTULGVNJSFIGW-JKSUJKDBSA-N 1 1 266.473 3.809 20 30 CHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC001169012783 1129690032 /nfs/dbraw/zinc/69/00/32/1129690032.db2.gz ASNDEFZRWKENBM-IBGZPJMESA-N 1 1 276.383 3.895 20 30 CHEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001169084302 1129698238 /nfs/dbraw/zinc/69/82/38/1129698238.db2.gz JEWQIZFJBNZQGD-ROUUACIJSA-N 1 1 270.420 3.879 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1cscc1C(F)(F)F ZINC000380302814 1129699265 /nfs/dbraw/zinc/69/92/65/1129699265.db2.gz FAFVIZZJQQLXEZ-UHFFFAOYSA-N 1 1 255.692 3.609 20 30 CHEDMO C[C@@](C#N)(Nc1cccn2c[nH+]cc12)c1ccccc1Cl ZINC001169391494 1129725256 /nfs/dbraw/zinc/72/52/56/1129725256.db2.gz ZNUCLEIVVNQSAT-INIZCTEOSA-N 1 1 296.761 3.839 20 30 CHEDMO CCCCCCCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001169592883 1129739399 /nfs/dbraw/zinc/73/93/99/1129739399.db2.gz JTRMVAXHIMJDQG-INIZCTEOSA-N 1 1 282.472 3.536 20 30 CHEDMO CCCCCCCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001169592883 1129739402 /nfs/dbraw/zinc/73/94/02/1129739402.db2.gz JTRMVAXHIMJDQG-INIZCTEOSA-N 1 1 282.472 3.536 20 30 CHEDMO CCCCCCCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC001169592884 1129739427 /nfs/dbraw/zinc/73/94/27/1129739427.db2.gz JTRMVAXHIMJDQG-MRXNPFEDSA-N 1 1 282.472 3.536 20 30 CHEDMO CCCCCCCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC001169592884 1129739430 /nfs/dbraw/zinc/73/94/30/1129739430.db2.gz JTRMVAXHIMJDQG-MRXNPFEDSA-N 1 1 282.472 3.536 20 30 CHEDMO COC(=[NH2+])c1cccc(NC23CCC(C#N)(CC2)CC3)c1 ZINC001169750254 1129752530 /nfs/dbraw/zinc/75/25/30/1129752530.db2.gz VJKFSVXBQYOENF-UHFFFAOYSA-N 1 1 283.375 3.687 20 30 CHEDMO CCCCCCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC001169809697 1129757686 /nfs/dbraw/zinc/75/76/86/1129757686.db2.gz CKTSZXOKSQAQTN-GJYPPUQNSA-N 1 1 287.513 3.968 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC001169809697 1129757689 /nfs/dbraw/zinc/75/76/89/1129757689.db2.gz CKTSZXOKSQAQTN-GJYPPUQNSA-N 1 1 287.513 3.968 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccc(SC)cc1 ZINC001169864388 1129762908 /nfs/dbraw/zinc/76/29/08/1129762908.db2.gz NZGIMNKATKUZKH-CQSZACIVSA-N 1 1 277.433 3.828 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001137685456 1131401330 /nfs/dbraw/zinc/40/13/30/1131401330.db2.gz MQFCBZYIEYIZKV-CYBMUJFWSA-N 1 1 255.386 3.747 20 30 CHEDMO C#CCCC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000766902626 1129769842 /nfs/dbraw/zinc/76/98/42/1129769842.db2.gz LTRKWJFDRHRFEB-QGZVFWFLSA-N 1 1 261.384 3.738 20 30 CHEDMO C#CCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000766906637 1129770507 /nfs/dbraw/zinc/77/05/07/1129770507.db2.gz SRVLFIUKEWLXBR-RBUKOAKNSA-N 1 1 285.431 3.768 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000767435625 1129793435 /nfs/dbraw/zinc/79/34/35/1129793435.db2.gz UNOXFPGBIKPXLB-HZPDHXFCSA-N 1 1 263.429 3.736 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCCCCCO)CC2)cc1 ZINC000767731768 1129811876 /nfs/dbraw/zinc/81/18/76/1129811876.db2.gz PJBXRNUZJFPKLG-UHFFFAOYSA-N 1 1 298.430 3.590 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCCC1 ZINC000767900326 1129820126 /nfs/dbraw/zinc/82/01/26/1129820126.db2.gz AWXCCDCAIGJBDT-UHFFFAOYSA-N 1 1 280.415 3.866 20 30 CHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000767907745 1129820785 /nfs/dbraw/zinc/82/07/85/1129820785.db2.gz SFWZLSRECFRRTC-QAPCUYQASA-N 1 1 286.419 3.990 20 30 CHEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000767904958 1129821496 /nfs/dbraw/zinc/82/14/96/1129821496.db2.gz CZSKOWIVYBUJRE-QGZVFWFLSA-N 1 1 286.419 3.990 20 30 CHEDMO CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000767906340 1129821518 /nfs/dbraw/zinc/82/15/18/1129821518.db2.gz MSXOIKXICARRNC-MSOLQXFVSA-N 1 1 286.419 3.636 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1coc2ccccc12 ZINC000768153289 1129835906 /nfs/dbraw/zinc/83/59/06/1129835906.db2.gz CLTFJIGEEFIYLG-UHFFFAOYSA-N 1 1 256.349 3.804 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1coc2ccccc12 ZINC000768153289 1129835910 /nfs/dbraw/zinc/83/59/10/1129835910.db2.gz CLTFJIGEEFIYLG-UHFFFAOYSA-N 1 1 256.349 3.804 20 30 CHEDMO CC[N@@H+](Cc1ccoc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000118532796 1129846236 /nfs/dbraw/zinc/84/62/36/1129846236.db2.gz XPRKUDGARXIFBM-ZDUSSCGKSA-N 1 1 254.333 3.734 20 30 CHEDMO CCCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000768291953 1129850333 /nfs/dbraw/zinc/85/03/33/1129850333.db2.gz SGDBQIYPVLNYDV-CQSZACIVSA-N 1 1 272.392 3.742 20 30 CHEDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768330090 1129850540 /nfs/dbraw/zinc/85/05/40/1129850540.db2.gz NRBBAUFEXYGRDC-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000829809574 1129852470 /nfs/dbraw/zinc/85/24/70/1129852470.db2.gz DQWHGAOTJGHWKL-NSHDSACASA-N 1 1 283.202 3.624 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000829809574 1129852472 /nfs/dbraw/zinc/85/24/72/1129852472.db2.gz DQWHGAOTJGHWKL-NSHDSACASA-N 1 1 283.202 3.624 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OCC)c1O ZINC000768552742 1129862150 /nfs/dbraw/zinc/86/21/50/1129862150.db2.gz YSNPVLUQRAKHHQ-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO C=CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768541895 1129862840 /nfs/dbraw/zinc/86/28/40/1129862840.db2.gz MOKBEDXCTITEKL-UHFFFAOYSA-N 1 1 280.755 3.646 20 30 CHEDMO C=CC[N@H+](Cc1cc2ccccc2nc1OC)C(C)C ZINC000768546725 1129864149 /nfs/dbraw/zinc/86/41/49/1129864149.db2.gz CYOPMZMMBVPFCD-UHFFFAOYSA-N 1 1 270.376 3.640 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(C#N)c1 ZINC001137704502 1131404190 /nfs/dbraw/zinc/40/41/90/1131404190.db2.gz IWSVRVBEACPEFY-QGZVFWFLSA-N 1 1 298.430 3.969 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2cccc(F)c2C1 ZINC001170997330 1131405523 /nfs/dbraw/zinc/40/55/23/1131405523.db2.gz ROLFTDHQMBIQFP-OAHLLOKOSA-N 1 1 274.383 3.699 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1F ZINC000769698296 1129921330 /nfs/dbraw/zinc/92/13/30/1129921330.db2.gz XXNXFNMEWGGVBQ-UHFFFAOYSA-N 1 1 292.398 3.986 20 30 CHEDMO C=CC[N@H+](C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC000801511047 1129922863 /nfs/dbraw/zinc/92/28/63/1129922863.db2.gz NERUONNAKCHSES-HNNXBMFYSA-N 1 1 267.800 3.924 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000769961153 1129931623 /nfs/dbraw/zinc/93/16/23/1129931623.db2.gz PBRYFILSVLIPNG-CYBMUJFWSA-N 1 1 299.805 3.559 20 30 CHEDMO CCCC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccc(C)o1 ZINC000801915077 1129958564 /nfs/dbraw/zinc/95/85/64/1129958564.db2.gz JDUSMHQNJPWOJF-LSDHHAIUSA-N 1 1 278.396 3.680 20 30 CHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCO[C@H](C)C#N ZINC000801915216 1129958615 /nfs/dbraw/zinc/95/86/15/1129958615.db2.gz LATMHDCKTPWSPR-NXHRZFHOSA-N 1 1 286.419 3.573 20 30 CHEDMO C#CC[N@H+](CC)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000746138621 1129964824 /nfs/dbraw/zinc/96/48/24/1129964824.db2.gz CSJBJZVGRPBXQF-NSHDSACASA-N 1 1 255.283 3.722 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C(C)(C)C ZINC001137761575 1131413642 /nfs/dbraw/zinc/41/36/42/1131413642.db2.gz SPHMQOREWPAHTD-UHFFFAOYSA-N 1 1 269.392 3.659 20 30 CHEDMO C#CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)C1CCCC1 ZINC000802642069 1130024759 /nfs/dbraw/zinc/02/47/59/1130024759.db2.gz NDSJTXPZEVLMBB-UHFFFAOYSA-N 1 1 299.443 3.526 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1F ZINC000902728723 1130045907 /nfs/dbraw/zinc/04/59/07/1130045907.db2.gz AJDCYWQAWXURGQ-NEPJUHHUSA-N 1 1 299.349 3.513 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1OC ZINC000902741402 1130050035 /nfs/dbraw/zinc/05/00/35/1130050035.db2.gz QHWZPTPCSOLEHH-XJKSGUPXSA-N 1 1 295.386 3.764 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000785998617 1130073405 /nfs/dbraw/zinc/07/34/05/1130073405.db2.gz JGROPCDTVLKDTA-HUUCEWRRSA-N 1 1 299.336 3.779 20 30 CHEDMO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cc(C#N)ccn1 ZINC000902915871 1130084871 /nfs/dbraw/zinc/08/48/71/1130084871.db2.gz ZLHVKCUMWHZMMZ-GFCCVEGCSA-N 1 1 297.789 3.947 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000786443245 1130094261 /nfs/dbraw/zinc/09/42/61/1130094261.db2.gz IEJOYIJBZVTLAK-CQSZACIVSA-N 1 1 288.435 3.819 20 30 CHEDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(C#N)ccn1 ZINC000903007183 1130099248 /nfs/dbraw/zinc/09/92/48/1130099248.db2.gz VJZQCRRHEBZWCN-IIYDPXPESA-N 1 1 293.370 3.516 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1O ZINC000903033071 1130102809 /nfs/dbraw/zinc/10/28/09/1130102809.db2.gz OTYFEWBNNHPCKP-SNVBAGLBSA-N 1 1 298.308 3.755 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc2c(ccnc2Cl)o1 ZINC000903034678 1130102994 /nfs/dbraw/zinc/10/29/94/1130102994.db2.gz AOLRHHMVCLBJHF-JTQLQIEISA-N 1 1 289.766 3.826 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1cscn1)c1cccc(C#N)c1 ZINC000903048492 1130104901 /nfs/dbraw/zinc/10/49/01/1130104901.db2.gz NORHAJCJOIOKKY-BXUZGUMPSA-N 1 1 271.389 3.817 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(C#N)c1 ZINC000903048495 1130105214 /nfs/dbraw/zinc/10/52/14/1130105214.db2.gz NORHAJCJOIOKKY-SMDDNHRTSA-N 1 1 271.389 3.817 20 30 CHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107669 1130113769 /nfs/dbraw/zinc/11/37/69/1130113769.db2.gz AWZGZCZBUFPXGB-CQSZACIVSA-N 1 1 272.392 3.738 20 30 CHEDMO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(C#N)CC1)CCS2 ZINC000903105622 1130113878 /nfs/dbraw/zinc/11/38/78/1130113878.db2.gz GGSQZKUCSHSUSG-AWEZNQCLSA-N 1 1 272.417 3.734 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc(F)cc(F)c1 ZINC000903108079 1130114724 /nfs/dbraw/zinc/11/47/24/1130114724.db2.gz LYKDCFGMFVBMEM-LLVKDONJSA-N 1 1 264.319 3.699 20 30 CHEDMO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cc1O ZINC000903109217 1130115051 /nfs/dbraw/zinc/11/50/51/1130115051.db2.gz LERJLSOMQPIQIE-AWEZNQCLSA-N 1 1 276.355 3.656 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000903108762 1130115058 /nfs/dbraw/zinc/11/50/58/1130115058.db2.gz GNNGKUQPZDRXGD-MRXNPFEDSA-N 1 1 299.374 3.646 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nonc1C)c1cccc(Cl)c1 ZINC000903217373 1130130935 /nfs/dbraw/zinc/13/09/35/1130130935.db2.gz VUQWVGIGPOOICL-CQSZACIVSA-N 1 1 291.782 3.829 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(F)nc1C ZINC000787127418 1130132834 /nfs/dbraw/zinc/13/28/34/1130132834.db2.gz BOSHRVBXJCJJPU-UHFFFAOYSA-N 1 1 284.378 3.760 20 30 CHEDMO CC(C)C[N@@H+](C/C=C/Cl)Cc1ccc(C#N)cc1 ZINC000746660489 1130136247 /nfs/dbraw/zinc/13/62/47/1130136247.db2.gz WSMYASIOUPGBIB-FPYGCLRLSA-N 1 1 262.784 3.769 20 30 CHEDMO C[C@H]1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)c2sccc21 ZINC000903264582 1130139165 /nfs/dbraw/zinc/13/91/65/1130139165.db2.gz UIBPWVLVXAVBOU-JOYOIKCWSA-N 1 1 289.429 3.804 20 30 CHEDMO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903263288 1130139230 /nfs/dbraw/zinc/13/92/30/1130139230.db2.gz LEMYLKJFTGFIIL-OAHLLOKOSA-N 1 1 297.427 3.799 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000787311975 1130146736 /nfs/dbraw/zinc/14/67/36/1130146736.db2.gz ZKWRTVBFPMHGHW-ZDUSSCGKSA-N 1 1 281.783 3.595 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2cccc(OC)c2o1 ZINC000787309662 1130146970 /nfs/dbraw/zinc/14/69/70/1130146970.db2.gz KZPMEMMFDOLOMB-CQSZACIVSA-N 1 1 271.360 3.982 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000787770237 1130163415 /nfs/dbraw/zinc/16/34/15/1130163415.db2.gz PDFQZVMZRNCREY-OAHLLOKOSA-N 1 1 298.386 3.927 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)nc1Cl ZINC000788011173 1130168906 /nfs/dbraw/zinc/16/89/06/1130168906.db2.gz XMZBYQBWCUKOSP-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)nc1Cl ZINC000788011173 1130168909 /nfs/dbraw/zinc/16/89/09/1130168909.db2.gz XMZBYQBWCUKOSP-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C#CC[N@H+](Cc1cc(C)c2ncccc2c1)C1CCCC1 ZINC000753544502 1130182397 /nfs/dbraw/zinc/18/23/97/1130182397.db2.gz MTUKKXKINIUMKR-UHFFFAOYSA-N 1 1 278.399 3.921 20 30 CHEDMO N#Cc1ccc(OCCC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000748818987 1130249321 /nfs/dbraw/zinc/24/93/21/1130249321.db2.gz ACQVVGJVJAOGJE-LJQANCHMSA-N 1 1 292.382 3.774 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1 ZINC000789586374 1130261135 /nfs/dbraw/zinc/26/11/35/1130261135.db2.gz NEBTUXGSFWVJIY-UGUYLWEFSA-N 1 1 286.419 3.844 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254654655 1130277579 /nfs/dbraw/zinc/27/75/79/1130277579.db2.gz XAVFLGMAGLMBCF-HZPDHXFCSA-N 1 1 256.393 3.979 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1O ZINC000796694031 1130279575 /nfs/dbraw/zinc/27/95/75/1130279575.db2.gz IRBLERYVBWQMAK-MRXNPFEDSA-N 1 1 284.334 3.644 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000678260041 1130380624 /nfs/dbraw/zinc/38/06/24/1130380624.db2.gz QQRRDTIESFQXCB-INIZCTEOSA-N 1 1 283.371 3.834 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1Cl ZINC000678273079 1130385723 /nfs/dbraw/zinc/38/57/23/1130385723.db2.gz JFRDYFJYVJFAIA-CYBMUJFWSA-N 1 1 295.810 3.516 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCOC[C@H]2C)cc1Cl ZINC000678273079 1130385726 /nfs/dbraw/zinc/38/57/26/1130385726.db2.gz 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C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C[C@@H]1C ZINC001172364201 1132190346 /nfs/dbraw/zinc/19/03/46/1132190346.db2.gz AGOQLYPUSJWSJZ-GLJUWKHASA-N 1 1 268.404 3.741 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(Br)cc(Cl)c1F ZINC001141600436 1132200030 /nfs/dbraw/zinc/20/00/30/1132200030.db2.gz CCNYYFFCEWHNAG-UHFFFAOYSA-N 1 1 292.579 3.859 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Br)cc(Cl)c1F ZINC001141600436 1132200032 /nfs/dbraw/zinc/20/00/32/1132200032.db2.gz CCNYYFFCEWHNAG-UHFFFAOYSA-N 1 1 292.579 3.859 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCC1(C#N)CCCCC1 ZINC000839495217 1132218180 /nfs/dbraw/zinc/21/81/80/1132218180.db2.gz QHBMZMPUUPWRIZ-UHFFFAOYSA-N 1 1 261.413 3.722 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CCC1(C#N)CCCCC1 ZINC000839495217 1132218184 /nfs/dbraw/zinc/21/81/84/1132218184.db2.gz QHBMZMPUUPWRIZ-UHFFFAOYSA-N 1 1 261.413 3.722 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839492639 1132218279 /nfs/dbraw/zinc/21/82/79/1132218279.db2.gz BWRDPRFUZOKKKM-UHFFFAOYSA-N 1 1 285.309 3.830 20 30 CHEDMO C#CC[N@H+]([C@H](C)CCOC(C)C)[C@@H]1CCc2ccccc21 ZINC001172449532 1132236972 /nfs/dbraw/zinc/23/69/72/1132236972.db2.gz VJCBBZIIUXSASH-VQIMIIECSA-N 1 1 285.431 3.813 20 30 CHEDMO C=CCc1cccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1 ZINC001231010589 1132241107 /nfs/dbraw/zinc/24/11/07/1132241107.db2.gz RYVFACKPDYNOGM-VQFNDLOPSA-N 1 1 271.404 3.524 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001172491593 1132247478 /nfs/dbraw/zinc/24/74/78/1132247478.db2.gz FNRVNRQGYHIHED-KRWDZBQOSA-N 1 1 299.462 3.665 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2cccc(Cl)c2C1 ZINC001172497777 1132248232 /nfs/dbraw/zinc/24/82/32/1132248232.db2.gz FQZGQWBWJOLREC-LBPRGKRZSA-N 1 1 262.784 3.780 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001172499828 1132250305 /nfs/dbraw/zinc/25/03/05/1132250305.db2.gz GBTWKEOKZAUGEV-AEFFLSMTSA-N 1 1 286.419 3.750 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001172500851 1132250644 /nfs/dbraw/zinc/25/06/44/1132250644.db2.gz BENMBPDKCNUQDD-RCCFBDPRSA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H](CCCC#N)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172500851 1132250650 /nfs/dbraw/zinc/25/06/50/1132250650.db2.gz BENMBPDKCNUQDD-RCCFBDPRSA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H](CCCC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172500851 1132250656 /nfs/dbraw/zinc/25/06/56/1132250656.db2.gz BENMBPDKCNUQDD-RCCFBDPRSA-N 1 1 299.462 3.664 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)CC(=O)N(C)C ZINC001172505999 1132253935 /nfs/dbraw/zinc/25/39/35/1132253935.db2.gz YVFGSMRNKYVVNS-OAHLLOKOSA-N 1 1 270.461 3.536 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+](C)CC(=O)N(C)C ZINC001172505998 1132254850 /nfs/dbraw/zinc/25/48/50/1132254850.db2.gz YVFGSMRNKYVVNS-HNNXBMFYSA-N 1 1 270.461 3.536 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001172508284 1132256211 /nfs/dbraw/zinc/25/62/11/1132256211.db2.gz IHBXAHQXRGZOCL-WMZOPIPTSA-N 1 1 294.483 3.728 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001172506831 1132256563 /nfs/dbraw/zinc/25/65/63/1132256563.db2.gz KFERQFAHVALTDR-MRXNPFEDSA-N 1 1 294.402 3.561 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@@H](C)CCCC#N ZINC001172509664 1132257247 /nfs/dbraw/zinc/25/72/47/1132257247.db2.gz NKJJDBVLFOZNDV-LBPRGKRZSA-N 1 1 266.335 3.869 20 30 CHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)CCCC#N ZINC001172508959 1132257933 /nfs/dbraw/zinc/25/79/33/1132257933.db2.gz IBHNTDRSRBIIOI-OAHLLOKOSA-N 1 1 273.424 3.657 20 30 CHEDMO COc1cccc([C@@H]2CC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172508679 1132258025 /nfs/dbraw/zinc/25/80/25/1132258025.db2.gz FUOIVGIWIFGMBZ-GOEBONIOSA-N 1 1 272.392 3.567 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001172511030 1132258392 /nfs/dbraw/zinc/25/83/92/1132258392.db2.gz MATDIIFQVPYUFQ-IKGGRYGDSA-N 1 1 266.473 3.904 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001172511526 1132258437 /nfs/dbraw/zinc/25/84/37/1132258437.db2.gz SFWXTMTXQDGNOZ-BBWFWOEESA-N 1 1 295.467 3.663 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](CO)C1 ZINC001172511387 1132258770 /nfs/dbraw/zinc/25/87/70/1132258770.db2.gz QBRZKGLMLUWXMQ-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO O=C1C=C2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172555576 1132267282 /nfs/dbraw/zinc/26/72/82/1132267282.db2.gz ARTOOBHRKZFITQ-HYVNUMGLSA-N 1 1 299.439 3.597 20 30 CHEDMO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1O ZINC000840788356 1132288284 /nfs/dbraw/zinc/28/82/84/1132288284.db2.gz ZTLYRCFBPXVRPW-ZDUSSCGKSA-N 1 1 264.344 3.512 20 30 CHEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001231432010 1132294980 /nfs/dbraw/zinc/29/49/80/1132294980.db2.gz FOJJNKBOLPEKBL-AWEZNQCLSA-N 1 1 268.385 3.761 20 30 CHEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001231432010 1132294987 /nfs/dbraw/zinc/29/49/87/1132294987.db2.gz FOJJNKBOLPEKBL-AWEZNQCLSA-N 1 1 268.385 3.761 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172723211 1132297539 /nfs/dbraw/zinc/29/75/39/1132297539.db2.gz FMVUOIZGTYOAGB-SFHVURJKSA-N 1 1 296.801 3.811 20 30 CHEDMO N#C[C@H]1CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001172824561 1132321762 /nfs/dbraw/zinc/32/17/62/1132321762.db2.gz BLQXKWGUSZJLES-LXPRWKDFSA-N 1 1 268.404 3.633 20 30 CHEDMO C=CC[NH+]1CCN(Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC001231597979 1132322581 /nfs/dbraw/zinc/32/25/81/1132322581.db2.gz RKZSXCSHNPIQHG-UHFFFAOYSA-N 1 1 296.414 3.559 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001231620883 1132326723 /nfs/dbraw/zinc/32/67/23/1132326723.db2.gz OWHZAZGKOUDZLC-HZPDHXFCSA-N 1 1 284.403 3.579 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001231622337 1132328246 /nfs/dbraw/zinc/32/82/46/1132328246.db2.gz WUYGIQKVOHPEQH-ZBFHGGJFSA-N 1 1 293.357 3.729 20 30 CHEDMO Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001231649872 1132336351 /nfs/dbraw/zinc/33/63/51/1132336351.db2.gz SMKYBJYBILNVLO-ZDUSSCGKSA-N 1 1 270.401 3.945 20 30 CHEDMO Cc1sc2ccccc2c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001231649872 1132336355 /nfs/dbraw/zinc/33/63/55/1132336355.db2.gz SMKYBJYBILNVLO-ZDUSSCGKSA-N 1 1 270.401 3.945 20 30 CHEDMO CCCCCCCCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001142216046 1132343206 /nfs/dbraw/zinc/34/32/06/1132343206.db2.gz BJEVUIVVPPAWNP-IRXDYDNUSA-N 1 1 296.499 3.974 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001231712830 1132345813 /nfs/dbraw/zinc/34/58/13/1132345813.db2.gz FLQHUJHRYHUPQK-CQSZACIVSA-N 1 1 291.822 3.972 20 30 CHEDMO CSc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001231782522 1132359342 /nfs/dbraw/zinc/35/93/42/1132359342.db2.gz MLCGRADGOYJOKR-UHFFFAOYSA-N 1 1 294.423 3.838 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[C@H](OC)C1 ZINC001172937707 1132368153 /nfs/dbraw/zinc/36/81/53/1132368153.db2.gz IINOSNCALVBCRU-ZIFCJYIRSA-N 1 1 283.415 3.567 20 30 CHEDMO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001231808695 1132369048 /nfs/dbraw/zinc/36/90/48/1132369048.db2.gz RRZZMTYNISJCGM-KRWDZBQOSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001231808695 1132369055 /nfs/dbraw/zinc/36/90/55/1132369055.db2.gz RRZZMTYNISJCGM-KRWDZBQOSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCC[C@@H]1C ZINC001231816960 1132370963 /nfs/dbraw/zinc/37/09/63/1132370963.db2.gz SZJQHANZEXJQJZ-IRXDYDNUSA-N 1 1 299.462 3.904 20 30 CHEDMO C=CC[N@H+](C)Cc1c[nH]c2cc(Br)ccc12 ZINC001142402401 1132382889 /nfs/dbraw/zinc/38/28/89/1132382889.db2.gz VMKMREQYFYIEOE-UHFFFAOYSA-N 1 1 279.181 3.548 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(F)cc1C ZINC001231983944 1132405527 /nfs/dbraw/zinc/40/55/27/1132405527.db2.gz GILNKYYLWDKQDS-UHFFFAOYSA-N 1 1 270.351 3.717 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(F)cc1C ZINC001231983944 1132405532 /nfs/dbraw/zinc/40/55/32/1132405532.db2.gz GILNKYYLWDKQDS-UHFFFAOYSA-N 1 1 270.351 3.717 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC001232005689 1132408294 /nfs/dbraw/zinc/40/82/94/1132408294.db2.gz AVHSNTYAXNDRMC-ZDUSSCGKSA-N 1 1 281.321 3.859 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c[nH]c2cccc(OC)c12 ZINC001232036967 1132413267 /nfs/dbraw/zinc/41/32/67/1132413267.db2.gz BLOFCNFWPBQRJB-UHFFFAOYSA-N 1 1 272.392 3.965 20 30 CHEDMO C=CC[N@@H+](Cc1cc2ccncc2[nH]1)Cc1ccccc1 ZINC001232095268 1132422523 /nfs/dbraw/zinc/42/25/23/1132422523.db2.gz AJZSCAPEJURKSC-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)CCC1(F)F ZINC001232111657 1132424123 /nfs/dbraw/zinc/42/41/23/1132424123.db2.gz JDWHDIZUOMLOSH-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC1(F)F ZINC001232111657 1132424126 /nfs/dbraw/zinc/42/41/26/1132424126.db2.gz JDWHDIZUOMLOSH-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232110726 1132424761 /nfs/dbraw/zinc/42/47/61/1132424761.db2.gz SZHCYOBVWXTJDW-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC001232120071 1132425805 /nfs/dbraw/zinc/42/58/05/1132425805.db2.gz LVTYBRCNEVESHQ-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001232136265 1132428650 /nfs/dbraw/zinc/42/86/50/1132428650.db2.gz HDKYUHJKAPWSJE-UHFFFAOYSA-N 1 1 288.753 3.606 20 30 CHEDMO Cc1scnc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001232205174 1132435584 /nfs/dbraw/zinc/43/55/84/1132435584.db2.gz JTTNUGWHVZTUDF-UHFFFAOYSA-N 1 1 296.439 3.715 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001232234079 1132440905 /nfs/dbraw/zinc/44/09/05/1132440905.db2.gz QKYCAKCGKRUJJR-QGZVFWFLSA-N 1 1 293.414 3.662 20 30 CHEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001173296923 1132445315 /nfs/dbraw/zinc/44/53/15/1132445315.db2.gz WPJCHLXQIFCBRM-NXHRZFHOSA-N 1 1 298.430 3.980 20 30 CHEDMO C=CC[N@H+](Cc1ccc(SC)nc1)C(C)(C)C ZINC001232330435 1132457123 /nfs/dbraw/zinc/45/71/23/1132457123.db2.gz TZKZARDMNRETCG-UHFFFAOYSA-N 1 1 250.411 3.590 20 30 CHEDMO C=CCOC1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001173324744 1132460193 /nfs/dbraw/zinc/46/01/93/1132460193.db2.gz SMHFZXKLWRGPQA-NUWOQIAWSA-N 1 1 263.425 3.622 20 30 CHEDMO C=CCOC1CCC([N@@H+](CCC)CC(C)C)CC1 ZINC001173322311 1132460458 /nfs/dbraw/zinc/46/04/58/1132460458.db2.gz AZDHGXXLDLQCHG-UHFFFAOYSA-N 1 1 253.430 3.868 20 30 CHEDMO C=CCOC1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC001173326537 1132461482 /nfs/dbraw/zinc/46/14/82/1132461482.db2.gz JOYHYVIPXXXCLT-UHFFFAOYSA-N 1 1 251.414 3.622 20 30 CHEDMO C[C@]1(F)CCC[N@H+](C2CCC(CC#N)CC2)CC1 ZINC001173330496 1132464071 /nfs/dbraw/zinc/46/40/71/1132464071.db2.gz AVFZBTFKWSEHGO-NRXISQOPSA-N 1 1 252.377 3.673 20 30 CHEDMO CN(C)CC[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173332270 1132464700 /nfs/dbraw/zinc/46/47/00/1132464700.db2.gz KHPKMTFERMLHMB-UHFFFAOYSA-N 1 1 299.462 3.523 20 30 CHEDMO COc1ccc([C@@H]2CC[N@H+](C3CCC(CC#N)CC3)C2)cc1 ZINC001173336570 1132464839 /nfs/dbraw/zinc/46/48/39/1132464839.db2.gz DSZZEDYOQRPQMV-IIIMJFFVSA-N 1 1 298.430 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PMFOKXSOKCIMOJ-UHFFFAOYSA-N 1 1 262.316 3.566 20 30 CHEDMO CCC(CC)C[N@@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000404029413 1134913287 /nfs/dbraw/zinc/91/32/87/1134913287.db2.gz WGLLXAVLOWMMIX-UHFFFAOYSA-N 1 1 262.372 3.955 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCC=C(Br)C1 ZINC000404384154 1134945425 /nfs/dbraw/zinc/94/54/25/1134945425.db2.gz DRNUVXRTUIJLNM-UHFFFAOYSA-N 1 1 285.229 3.691 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC=C(Br)C1 ZINC000404384154 1134945429 /nfs/dbraw/zinc/94/54/29/1134945429.db2.gz DRNUVXRTUIJLNM-UHFFFAOYSA-N 1 1 285.229 3.691 20 30 CHEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c(C)s1 ZINC000404645405 1134947111 /nfs/dbraw/zinc/94/71/11/1134947111.db2.gz ODZNRAFWHBFYOE-SECBINFHSA-N 1 1 289.379 3.622 20 30 CHEDMO CCCCCCCC[C@@H](CC)Oc1ncnc2c1C[NH2+]C2 ZINC001218354409 1135092174 /nfs/dbraw/zinc/09/21/74/1135092174.db2.gz GGKOXFBPXFRPCZ-CQSZACIVSA-N 1 1 291.439 3.988 20 30 CHEDMO CCCCCCCC[C@H](C)Oc1ncnc2c1C[NH2+]C2 ZINC001218353338 1135092494 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CCCCCCCO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001224620190 1135462321 /nfs/dbraw/zinc/46/23/21/1135462321.db2.gz UWPVIFWAPILUQI-ZSHCYNCHSA-N 1 1 253.430 3.704 20 30 CHEDMO N#CC1(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001224948018 1135495911 /nfs/dbraw/zinc/49/59/11/1135495911.db2.gz KHWJBGVGKPFDSI-PIIMJCKOSA-N 1 1 296.414 3.502 20 30 CHEDMO C=C[C@@H](C)Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001226743747 1135735707 /nfs/dbraw/zinc/73/57/07/1135735707.db2.gz WGVZFJCRPNBERY-OAHLLOKOSA-N 1 1 294.398 3.593 20 30 CHEDMO C=C[C@@H](C)Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001226743747 1135735710 /nfs/dbraw/zinc/73/57/10/1135735710.db2.gz WGVZFJCRPNBERY-OAHLLOKOSA-N 1 1 294.398 3.593 20 30 CHEDMO Cc1ccc(C#N)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC001226753987 1135737503 /nfs/dbraw/zinc/73/75/03/1135737503.db2.gz LBMVVGXOVKZHPI-FVQHAEBGSA-N 1 1 284.403 3.649 20 30 CHEDMO CC[N@H+]1CCC[C@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226813328 1135744544 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C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000037748262 260115968 /nfs/dbraw/zinc/11/59/68/260115968.db2.gz LJZWTHRQBQKJHY-LLVKDONJSA-N 1 1 272.298 3.687 20 30 CHEDMO N#Cc1cccc(C[NH2+]Cc2ccsc2Cl)c1 ZINC000312568305 260150963 /nfs/dbraw/zinc/15/09/63/260150963.db2.gz ZFJQFRYQIGZAEJ-UHFFFAOYSA-N 1 1 262.765 3.563 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000080260939 260178540 /nfs/dbraw/zinc/17/85/40/260178540.db2.gz BOSALRNPTSPXRJ-SMDDNHRTSA-N 1 1 271.389 3.817 20 30 CHEDMO COc1ccc(C[N@@H+](C)C2CCCCCC2)cc1C#N ZINC000087833185 260232901 /nfs/dbraw/zinc/23/29/01/260232901.db2.gz XBCNBZPRJKZUCQ-UHFFFAOYSA-N 1 1 272.392 3.721 20 30 CHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCCC#N)C1 ZINC000075843311 260292126 /nfs/dbraw/zinc/29/21/26/260292126.db2.gz FVFPRDPJBJXYOU-XJKSGUPXSA-N 1 1 260.356 3.902 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000130425894 260395527 /nfs/dbraw/zinc/39/55/27/260395527.db2.gz YOMPBGXUAFQHDP-CZUORRHYSA-N 1 1 272.392 3.577 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000092704078 260498648 /nfs/dbraw/zinc/49/86/48/260498648.db2.gz AGGBELIELUTHEL-UHFFFAOYSA-N 1 1 297.446 3.657 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000157691494 260849790 /nfs/dbraw/zinc/84/97/90/260849790.db2.gz NKIKBSXETCROKS-KRWDZBQOSA-N 1 1 284.790 3.857 20 30 CHEDMO Cc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)o1 ZINC000130461498 260856375 /nfs/dbraw/zinc/85/63/75/260856375.db2.gz OPKSNIZMHOKRRF-INIZCTEOSA-N 1 1 254.333 3.723 20 30 CHEDMO C[C@@H]1COc2ccccc2C[N@H+]1CCCCC(C)(C)C#N ZINC000444690975 261077711 /nfs/dbraw/zinc/07/77/11/261077711.db2.gz WIAHIILKINTTOD-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)s1 ZINC000155071321 261098033 /nfs/dbraw/zinc/09/80/33/261098033.db2.gz QAJMKARXTMWPPF-CQSZACIVSA-N 1 1 268.385 3.609 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000160638863 261221691 /nfs/dbraw/zinc/22/16/91/261221691.db2.gz JEHKKUJCFFJAIS-UHFFFAOYSA-N 1 1 256.374 3.560 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)o1 ZINC000162693807 261291436 /nfs/dbraw/zinc/29/14/36/261291436.db2.gz IFNAAULCRKYSGE-ZDUSSCGKSA-N 1 1 258.346 3.550 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000105642875 261314988 /nfs/dbraw/zinc/31/49/88/261314988.db2.gz RPSGZQHGAHLUMW-UHFFFAOYSA-N 1 1 296.345 3.552 20 30 CHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491279442 261398170 /nfs/dbraw/zinc/39/81/70/261398170.db2.gz RGCZGECBIULXCU-HNNXBMFYSA-N 1 1 293.332 3.789 20 30 CHEDMO CC(C)c1csc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000181910672 261915431 /nfs/dbraw/zinc/91/54/31/261915431.db2.gz HNAKCNCIHBJXPU-LBPRGKRZSA-N 1 1 285.416 3.989 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000184087804 262008095 /nfs/dbraw/zinc/00/80/95/262008095.db2.gz DRXQTMPKBBTURZ-SNVBAGLBSA-N 1 1 288.725 3.723 20 30 CHEDMO CCCCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1OC ZINC000184097696 262009246 /nfs/dbraw/zinc/00/92/46/262009246.db2.gz HLHUNBAVAYRGRI-OAHLLOKOSA-N 1 1 290.407 3.656 20 30 CHEDMO C=CCC[C@@H](NCC[NH+]1CCCCCC1)c1ccco1 ZINC000514086866 262172537 /nfs/dbraw/zinc/17/25/37/262172537.db2.gz DIKLWZZGRROTHF-MRXNPFEDSA-N 1 1 276.424 3.753 20 30 CHEDMO C[N@@H+](CCSCCCCC#N)Cc1ccccc1 ZINC000193625306 262225323 /nfs/dbraw/zinc/22/53/23/262225323.db2.gz ITZMLMBTLBAENH-UHFFFAOYSA-N 1 1 262.422 3.545 20 30 CHEDMO CC#CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000373421798 262368509 /nfs/dbraw/zinc/36/85/09/262368509.db2.gz JKPJXTFGUPFNBZ-HNNXBMFYSA-N 1 1 268.360 3.768 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411926624 262710891 /nfs/dbraw/zinc/71/08/91/262710891.db2.gz QDMNKIZPHVMODE-IRXDYDNUSA-N 1 1 286.419 3.514 20 30 CHEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000271051746 262992335 /nfs/dbraw/zinc/99/23/35/262992335.db2.gz PQRNKWCOEMZBNQ-OAHLLOKOSA-N 1 1 273.424 3.513 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271952261 263000620 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C[C@H](C#N)C[N@@H+](CCc1ccccc1Cl)C1CC1 ZINC000533139702 330350551 /nfs/dbraw/zinc/35/05/51/330350551.db2.gz OQVOOVJYJPQQBA-GFCCVEGCSA-N 1 1 262.784 3.507 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000533301548 330356803 /nfs/dbraw/zinc/35/68/03/330356803.db2.gz WHLCHXAEPOGAQU-LBPRGKRZSA-N 1 1 280.799 3.565 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000533297872 330357221 /nfs/dbraw/zinc/35/72/21/330357221.db2.gz KAGPKVUYGPIOPV-UHFFFAOYSA-N 1 1 267.376 3.542 20 30 CHEDMO C=CCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533354543 330359307 /nfs/dbraw/zinc/35/93/07/330359307.db2.gz BBZZPQQWBOVBBS-UHFFFAOYSA-N 1 1 270.351 3.972 20 30 CHEDMO C=C(CC)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000536894286 330362471 /nfs/dbraw/zinc/36/24/71/330362471.db2.gz RJPQVXDSSLUPMA-UHFFFAOYSA-N 1 1 260.337 3.525 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000536888635 330363237 /nfs/dbraw/zinc/36/32/37/330363237.db2.gz CWKMNJPXQHHJHC-QGZVFWFLSA-N 1 1 258.409 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C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459665983 331293099 /nfs/dbraw/zinc/29/30/99/331293099.db2.gz BEZQLDKBZLWGSO-CVEARBPZSA-N 1 1 297.427 3.783 20 30 CHEDMO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)CC#N)CC2)C1 ZINC000459726304 331296036 /nfs/dbraw/zinc/29/60/36/331296036.db2.gz DXPZGFFAFVSLJB-DOTOQJQBSA-N 1 1 291.483 3.559 20 30 CHEDMO CC[N@@H+](CCc1c(C)noc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000164942781 331305435 /nfs/dbraw/zinc/30/54/35/331305435.db2.gz ZSKZVYOVRKUJPO-CQSZACIVSA-N 1 1 297.402 3.789 20 30 CHEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](CCC#N)C2)cc1 ZINC000460982488 331310041 /nfs/dbraw/zinc/31/00/41/331310041.db2.gz XLXDEDCGNASRSU-MRXNPFEDSA-N 1 1 256.393 3.588 20 30 CHEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000462314581 331319167 /nfs/dbraw/zinc/31/91/67/331319167.db2.gz NZEWDKIJMWYYIY-QGZVFWFLSA-N 1 1 257.377 3.636 20 30 CHEDMO CC#CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000462338170 331320060 /nfs/dbraw/zinc/32/00/60/331320060.db2.gz HCPOLDPXWROTEH-INIZCTEOSA-N 1 1 263.331 3.905 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463439076 331347872 /nfs/dbraw/zinc/34/78/72/331347872.db2.gz YSJDEHXWVSSPRG-NEPJUHHUSA-N 1 1 276.346 3.979 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000464502490 331361563 /nfs/dbraw/zinc/36/15/63/331361563.db2.gz ZTFJWTADUOLXTJ-HOTGVXAUSA-N 1 1 281.440 3.785 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000464578184 331363039 /nfs/dbraw/zinc/36/30/39/331363039.db2.gz MMAHLVJBTZHPLK-UHFFFAOYSA-N 1 1 288.460 3.860 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCC1 ZINC000464822759 331369749 /nfs/dbraw/zinc/36/97/49/331369749.db2.gz NXTZMZOCGLSPAP-IAGOWNOFSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCOCc1ccccc1 ZINC000464846398 331370990 /nfs/dbraw/zinc/37/09/90/331370990.db2.gz AVYYGNLYQQASMQ-INIZCTEOSA-N 1 1 294.398 3.768 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000466477669 331398130 /nfs/dbraw/zinc/39/81/30/331398130.db2.gz 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ZINC000489515480 332057862 /nfs/dbraw/zinc/05/78/62/332057862.db2.gz RQJCZGBIVNJJPI-HNNXBMFYSA-N 1 1 259.397 3.539 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000489515480 332057863 /nfs/dbraw/zinc/05/78/63/332057863.db2.gz RQJCZGBIVNJJPI-HNNXBMFYSA-N 1 1 259.397 3.539 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490056174 332079090 /nfs/dbraw/zinc/07/90/90/332079090.db2.gz BCHDPFCAOFNTRW-CQSZACIVSA-N 1 1 253.773 3.535 20 30 CHEDMO C=CC[N@@H+](CCOc1ccccc1F)CCc1ccco1 ZINC000491393253 332203192 /nfs/dbraw/zinc/20/31/92/332203192.db2.gz CMRRPQFMXUYPDL-UHFFFAOYSA-N 1 1 289.350 3.528 20 30 CHEDMO C[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000500414208 332607804 /nfs/dbraw/zinc/60/78/04/332607804.db2.gz GIOLKVRQXDAUAO-MEDUHNTESA-N 1 1 286.762 3.830 20 30 CHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCC1 ZINC000513145147 333006116 /nfs/dbraw/zinc/00/61/16/333006116.db2.gz QHUWJQDQYLYTGG-UHFFFAOYSA-N 1 1 293.499 3.904 20 30 CHEDMO C=C(C)C[N@@H+](Cc1conc1CC)Cc1ccccc1 ZINC000513344480 333014959 /nfs/dbraw/zinc/01/49/59/333014959.db2.gz YZGZMGSNAGHPDP-UHFFFAOYSA-N 1 1 270.376 3.815 20 30 CHEDMO C=C(C)C[N@H+](Cc1conc1CC)Cc1ccccc1 ZINC000513344480 333014960 /nfs/dbraw/zinc/01/49/60/333014960.db2.gz YZGZMGSNAGHPDP-UHFFFAOYSA-N 1 1 270.376 3.815 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC000176801529 333047636 /nfs/dbraw/zinc/04/76/36/333047636.db2.gz JRSAHURDUCPKCR-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CCCCO)C(C)(C)C)cc1 ZINC000177847700 333063901 /nfs/dbraw/zinc/06/39/01/333063901.db2.gz GVGQGBUNZQLIJI-UHFFFAOYSA-N 1 1 291.435 3.624 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1CCCCCC1 ZINC000219509266 333151391 /nfs/dbraw/zinc/15/13/91/333151391.db2.gz MATIMSAHTBPIKX-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO N#Cc1csc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000521647486 333181099 /nfs/dbraw/zinc/18/10/99/333181099.db2.gz AYLDMEQHCOEDCM-INIZCTEOSA-N 1 1 286.375 3.690 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000521647486 333181101 /nfs/dbraw/zinc/18/11/01/333181101.db2.gz AYLDMEQHCOEDCM-INIZCTEOSA-N 1 1 286.375 3.690 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000191663263 333223264 /nfs/dbraw/zinc/22/32/64/333223264.db2.gz BDPCJXONZQVLJN-CQSZACIVSA-N 1 1 296.336 3.969 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000522016773 333230460 /nfs/dbraw/zinc/23/04/60/333230460.db2.gz QDBJFKHOFRFXON-UHFFFAOYSA-N 1 1 268.198 3.765 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000192147318 333230917 /nfs/dbraw/zinc/23/09/17/333230917.db2.gz OAWJIQPSUHOYHH-SNVBAGLBSA-N 1 1 290.288 3.826 20 30 CHEDMO C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCS1 ZINC000192170780 333231288 /nfs/dbraw/zinc/23/12/88/333231288.db2.gz COIJINZLTXAXEH-ZDUSSCGKSA-N 1 1 279.836 3.519 20 30 CHEDMO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192923132 333240238 /nfs/dbraw/zinc/24/02/38/333240238.db2.gz RXFSAGIOLFGOGX-LNLFQRSKSA-N 1 1 286.463 3.699 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)cc1 ZINC000194963816 333280341 /nfs/dbraw/zinc/28/03/41/333280341.db2.gz VKTPKBYNLJIVKP-UHFFFAOYSA-N 1 1 287.366 3.595 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)cc1 ZINC000194963816 333280342 /nfs/dbraw/zinc/28/03/42/333280342.db2.gz VKTPKBYNLJIVKP-UHFFFAOYSA-N 1 1 287.366 3.595 20 30 CHEDMO CCC(CC)[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000523224767 333312811 /nfs/dbraw/zinc/31/28/11/333312811.db2.gz VETJLANVZLWBAZ-UHFFFAOYSA-N 1 1 272.392 3.590 20 30 CHEDMO CC[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000523692361 333338908 /nfs/dbraw/zinc/33/89/08/333338908.db2.gz LBHHCFYSBCBYSU-ZDUSSCGKSA-N 1 1 280.799 3.590 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1Br ZINC000303260236 333339244 /nfs/dbraw/zinc/33/92/44/333339244.db2.gz PCWUMDQZKINVSP-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)ccc1Br ZINC000303260236 333339245 /nfs/dbraw/zinc/33/92/45/333339245.db2.gz PCWUMDQZKINVSP-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO C[C@H](C[N@@H+](C)CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000524069769 333352842 /nfs/dbraw/zinc/35/28/42/333352842.db2.gz GVEPTPIJLPWASR-MRXNPFEDSA-N 1 1 294.398 3.673 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)ccc1C#N ZINC000234994593 333364210 /nfs/dbraw/zinc/36/42/10/333364210.db2.gz RJUKMSTUWPNAHB-QGZVFWFLSA-N 1 1 284.403 3.721 20 30 CHEDMO N#CC1(C[NH2+][C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000538391269 333587712 /nfs/dbraw/zinc/58/77/12/333587712.db2.gz RQYVJHLXGUZCJU-GOSISDBHSA-N 1 1 292.382 3.700 20 30 CHEDMO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000544471239 333933083 /nfs/dbraw/zinc/93/30/83/333933083.db2.gz MPQZWRMVDHBJSF-CYBMUJFWSA-N 1 1 283.375 3.932 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000174983665 335170599 /nfs/dbraw/zinc/17/05/99/335170599.db2.gz FLAMCYHFTMJDKH-KDOFPFPSSA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC000546125631 334016019 /nfs/dbraw/zinc/01/60/19/334016019.db2.gz KAIYJDPZHXGRDI-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC000546125631 334016020 /nfs/dbraw/zinc/01/60/20/334016020.db2.gz KAIYJDPZHXGRDI-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CCCC[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546224902 334020170 /nfs/dbraw/zinc/02/01/70/334020170.db2.gz UDQXELRRPMFBDQ-SFHVURJKSA-N 1 1 272.436 3.549 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000237661038 334094243 /nfs/dbraw/zinc/09/42/43/334094243.db2.gz CDVUQOYMCDWCDN-XHDPSFHLSA-N 1 1 284.334 3.704 20 30 CHEDMO CC[N@@H+](CCCc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000077269164 334100903 /nfs/dbraw/zinc/10/09/03/334100903.db2.gz XZFNDDFDTPKKBB-CYBMUJFWSA-N 1 1 264.800 3.754 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)cc1C#N ZINC000134960874 334109619 /nfs/dbraw/zinc/10/96/19/334109619.db2.gz QIPNKPQHBPDDPP-AWEZNQCLSA-N 1 1 280.371 3.760 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccc(C#N)cc1 ZINC000135848300 334140177 /nfs/dbraw/zinc/14/01/77/334140177.db2.gz WBPRZLQBNXSPCN-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO C=CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000548731647 334167549 /nfs/dbraw/zinc/16/75/49/334167549.db2.gz YGCWLSDZNMKQAM-DOMZBBRYSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000548731647 334167551 /nfs/dbraw/zinc/16/75/51/334167551.db2.gz YGCWLSDZNMKQAM-DOMZBBRYSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCOCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000549366958 334191425 /nfs/dbraw/zinc/19/14/25/334191425.db2.gz DHOWGFBJSPWPFK-GFCCVEGCSA-N 1 1 253.773 3.535 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 ZINC000081573193 334197397 /nfs/dbraw/zinc/19/73/97/334197397.db2.gz ATTZRAPHAGZPSE-ACJLOTCBSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 ZINC000081573193 334197399 /nfs/dbraw/zinc/19/73/99/334197399.db2.gz ATTZRAPHAGZPSE-ACJLOTCBSA-N 1 1 280.346 3.890 20 30 CHEDMO C=CCOCC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000549767624 334204371 /nfs/dbraw/zinc/20/43/71/334204371.db2.gz FEKJPDFFNQIDPZ-UHFFFAOYSA-N 1 1 267.800 3.753 20 30 CHEDMO CS[C@@H]1CCCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246994653 334273539 /nfs/dbraw/zinc/27/35/39/334273539.db2.gz WQKMNVKWBGKVNX-XJKSGUPXSA-N 1 1 274.433 3.837 20 30 CHEDMO C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245959231 334225843 /nfs/dbraw/zinc/22/58/43/334225843.db2.gz XVBFKCLNBGNMQZ-IXDOHACOSA-N 1 1 299.462 3.577 20 30 CHEDMO C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245959231 334225844 /nfs/dbraw/zinc/22/58/44/334225844.db2.gz XVBFKCLNBGNMQZ-IXDOHACOSA-N 1 1 299.462 3.577 20 30 CHEDMO C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245959231 334225845 /nfs/dbraw/zinc/22/58/45/334225845.db2.gz XVBFKCLNBGNMQZ-IXDOHACOSA-N 1 1 299.462 3.577 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000551709365 334258903 /nfs/dbraw/zinc/25/89/03/334258903.db2.gz IKWWPFOIFCCFQG-IEBWSBKVSA-N 1 1 286.463 3.590 20 30 CHEDMO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(C)c1OC(F)F ZINC000552316979 334316105 /nfs/dbraw/zinc/31/61/05/334316105.db2.gz WYNNZMURCNGGRO-UHFFFAOYSA-N 1 1 296.361 3.886 20 30 CHEDMO Cc1cc(C[N@H+](C)CC(C)(C)C#N)cc(C)c1OC(F)F ZINC000552316979 334316107 /nfs/dbraw/zinc/31/61/07/334316107.db2.gz WYNNZMURCNGGRO-UHFFFAOYSA-N 1 1 296.361 3.886 20 30 CHEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000552316445 334316201 /nfs/dbraw/zinc/31/62/01/334316201.db2.gz AXHGGJXFADJRSC-FUHWJXTLSA-N 1 1 270.420 3.978 20 30 CHEDMO COc1ccc2cc(C[N@H+](C)CC(C)(C)C#N)ccc2c1 ZINC000552316801 334316353 /nfs/dbraw/zinc/31/63/53/334316353.db2.gz MWPPIUSNTZLVOK-UHFFFAOYSA-N 1 1 282.387 3.830 20 30 CHEDMO COc1ccc2cc(C[N@@H+](C)CC(C)(C)C#N)ccc2c1 ZINC000552316801 334316354 /nfs/dbraw/zinc/31/63/54/334316354.db2.gz MWPPIUSNTZLVOK-UHFFFAOYSA-N 1 1 282.387 3.830 20 30 CHEDMO C[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000249280058 334331130 /nfs/dbraw/zinc/33/11/30/334331130.db2.gz NGKNKJAEMMRMRV-CHWSQXEVSA-N 1 1 285.416 3.811 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1O ZINC000553826157 334399883 /nfs/dbraw/zinc/39/98/83/334399883.db2.gz XPRYOLPPHFUZEE-STQMWFEESA-N 1 1 285.840 3.693 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C)cs1 ZINC000177697436 335379634 /nfs/dbraw/zinc/37/96/34/335379634.db2.gz LSMIGTOCJDGWHD-GFCCVEGCSA-N 1 1 277.418 3.626 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(C)noc1C ZINC000179326069 335487434 /nfs/dbraw/zinc/48/74/34/335487434.db2.gz RYAXDQUJAUXYIC-HNNXBMFYSA-N 1 1 287.338 3.543 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(SC(C)C)cc1 ZINC000581496905 336090035 /nfs/dbraw/zinc/09/00/35/336090035.db2.gz FFDQMKVTMXMARF-CQSZACIVSA-N 1 1 262.422 3.969 20 30 CHEDMO C=CCCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000581529306 336095584 /nfs/dbraw/zinc/09/55/84/336095584.db2.gz GBGNMHFOLQUYFD-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO C=CCCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000581529306 336095586 /nfs/dbraw/zinc/09/55/86/336095586.db2.gz GBGNMHFOLQUYFD-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000383384060 336108137 /nfs/dbraw/zinc/10/81/37/336108137.db2.gz HDLSAUGYJXXGSE-MNOVXSKESA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000383384060 336108139 /nfs/dbraw/zinc/10/81/39/336108139.db2.gz HDLSAUGYJXXGSE-MNOVXSKESA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(O)c1 ZINC000383603481 336115053 /nfs/dbraw/zinc/11/50/53/336115053.db2.gz BXJJFYAHQDGNDW-LLVKDONJSA-N 1 1 286.762 3.768 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1F ZINC000581982870 336184178 /nfs/dbraw/zinc/18/41/78/336184178.db2.gz ISMVLFJAPMEUTG-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC000582001450 336188416 /nfs/dbraw/zinc/18/84/16/336188416.db2.gz ROMVLXYVLJRZFT-UHFFFAOYSA-N 1 1 281.197 3.551 20 30 CHEDMO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC12CCC2 ZINC000335946969 534054370 /nfs/dbraw/zinc/05/43/70/534054370.db2.gz CJYNTXWPZOURML-CJNGLKHVSA-N 1 1 297.402 3.647 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1C#N ZINC000353647943 534072735 /nfs/dbraw/zinc/07/27/35/534072735.db2.gz NEFKYDKRGRPADO-CQSZACIVSA-N 1 1 262.356 3.505 20 30 CHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1C#N ZINC000353647943 534072741 /nfs/dbraw/zinc/07/27/41/534072741.db2.gz NEFKYDKRGRPADO-CQSZACIVSA-N 1 1 262.356 3.505 20 30 CHEDMO C=C(C)C[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000279708337 518601823 /nfs/dbraw/zinc/60/18/23/518601823.db2.gz SETOFCPYFPGRKC-UHFFFAOYSA-N 1 1 269.392 3.605 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1C(C)C)c1ccccc1 ZINC000279723227 518713071 /nfs/dbraw/zinc/71/30/71/518713071.db2.gz MEHYYHFMDPTTLR-MRXNPFEDSA-N 1 1 284.407 3.656 20 30 CHEDMO CCOC1(C)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000298198183 521635254 /nfs/dbraw/zinc/63/52/54/521635254.db2.gz CDAVXOVYULGMSA-UHFFFAOYSA-N 1 1 292.810 3.603 20 30 CHEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265872541 521685387 /nfs/dbraw/zinc/68/53/87/521685387.db2.gz MRDYZVXPEHBNNG-RCCFBDPRSA-N 1 1 298.430 3.584 20 30 CHEDMO CCC[N@@H+](Cc1cnc(C)s1)Cc1ccc(C#N)cc1 ZINC000299130194 521692208 /nfs/dbraw/zinc/69/22/08/521692208.db2.gz LKIHXGMRRVFTTB-UHFFFAOYSA-N 1 1 285.416 3.735 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](COC)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278383200 522923152 /nfs/dbraw/zinc/92/31/52/522923152.db2.gz DFSJSRCRIOMCKC-SJORKVTESA-N 1 1 298.386 3.888 20 30 CHEDMO COCCCCc1ccc[nH+]c1NCc1cccc(C#N)c1 ZINC000292540155 523190983 /nfs/dbraw/zinc/19/09/83/523190983.db2.gz MJHZKQHRVJPRDP-UHFFFAOYSA-N 1 1 295.386 3.534 20 30 CHEDMO C[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1cccc(C#N)c1 ZINC000130776578 523497564 /nfs/dbraw/zinc/49/75/64/523497564.db2.gz LDUAGHBPHUCQCP-UHFFFAOYSA-N 1 1 299.443 3.944 20 30 CHEDMO C[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1cccc(C#N)c1 ZINC000130776578 523497572 /nfs/dbraw/zinc/49/75/72/523497572.db2.gz LDUAGHBPHUCQCP-UHFFFAOYSA-N 1 1 299.443 3.944 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000359280356 524428894 /nfs/dbraw/zinc/42/88/94/524428894.db2.gz CDABVRDLJHOARV-YOEHRIQHSA-N 1 1 254.377 3.570 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000359311379 524430019 /nfs/dbraw/zinc/43/00/19/524430019.db2.gz UBFNYVSOXIEESC-YOEHRIQHSA-N 1 1 254.377 3.570 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000359280352 524625652 /nfs/dbraw/zinc/62/56/52/524625652.db2.gz CDABVRDLJHOARV-RHSMWYFYSA-N 1 1 254.377 3.570 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000290011555 526043528 /nfs/dbraw/zinc/04/35/28/526043528.db2.gz ZSOQANIEBABSAL-NWDGAFQWSA-N 1 1 264.319 3.596 20 30 CHEDMO C=CC[N@H+](CCC[C@H](C)O)Cc1ccc(Cl)s1 ZINC000354872617 526276032 /nfs/dbraw/zinc/27/60/32/526276032.db2.gz QUEXUDJGQRGLAF-NSHDSACASA-N 1 1 273.829 3.551 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC)c1 ZINC000352702055 526327480 /nfs/dbraw/zinc/32/74/80/526327480.db2.gz QLFBCSFEYQCARZ-UHFFFAOYSA-N 1 1 271.360 3.519 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353267796 526443584 /nfs/dbraw/zinc/44/35/84/526443584.db2.gz OVDUZNCABQNPNT-HNNXBMFYSA-N 1 1 275.392 3.505 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353267797 526444628 /nfs/dbraw/zinc/44/46/28/526444628.db2.gz OVDUZNCABQNPNT-OAHLLOKOSA-N 1 1 275.392 3.505 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CCCC2CCOCC2)C2CC2)cc1 ZINC000274692176 526608390 /nfs/dbraw/zinc/60/83/90/526608390.db2.gz VHLSZTNXDPDCIR-UHFFFAOYSA-N 1 1 298.430 3.729 20 30 CHEDMO C=CCOCCC[N@@H+](Cc1cccs1)C(C)C ZINC000347966334 526749827 /nfs/dbraw/zinc/74/98/27/526749827.db2.gz FNAKAMVXPDEQQL-UHFFFAOYSA-N 1 1 253.411 3.551 20 30 CHEDMO C=CCOCCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000347964863 526749873 /nfs/dbraw/zinc/74/98/73/526749873.db2.gz LMRBEPVDEQPJBA-YOEHRIQHSA-N 1 1 289.419 3.960 20 30 CHEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nc(C)cs1 ZINC000347957939 526751963 /nfs/dbraw/zinc/75/19/63/526751963.db2.gz AYPZAEFZNCBXHO-CQSZACIVSA-N 1 1 280.437 3.571 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000353688063 526897536 /nfs/dbraw/zinc/89/75/36/526897536.db2.gz NYXIINJJCORFTL-UHFFFAOYSA-N 1 1 257.377 3.627 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2cc[nH]c21 ZINC000353420381 527681346 /nfs/dbraw/zinc/68/13/46/527681346.db2.gz GFPXTCOXAYRROB-UHFFFAOYSA-N 1 1 269.392 3.930 20 30 CHEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 ZINC000353481923 527991212 /nfs/dbraw/zinc/99/12/12/527991212.db2.gz LDWHVRWTRMSEOE-CRAIPNDOSA-N 1 1 287.451 3.719 20 30 CHEDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353481923 527991216 /nfs/dbraw/zinc/99/12/16/527991216.db2.gz LDWHVRWTRMSEOE-CRAIPNDOSA-N 1 1 287.451 3.719 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C)n1 ZINC000347357432 528133214 /nfs/dbraw/zinc/13/32/14/528133214.db2.gz GKVXIXSYWNEHTD-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO CCC(CC)[N@H+](Cc1nc(C#N)cs1)CC(C)C ZINC000356143448 528781128 /nfs/dbraw/zinc/78/11/28/528781128.db2.gz YJPHNDXXTTUXEM-UHFFFAOYSA-N 1 1 265.426 3.661 20 30 CHEDMO CC(C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001205971113 1125467654 /nfs/dbraw/zinc/46/76/54/1125467654.db2.gz RYLPBEHDSANSHK-SFHVURJKSA-N 1 1 286.419 3.585 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(Cl)c1OC ZINC001238336993 1117879896 /nfs/dbraw/zinc/87/98/96/1117879896.db2.gz CZHPFQOFHOVQQR-UHFFFAOYSA-N 1 1 271.763 3.886 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(F)ccc(Cl)c1OC ZINC001238336993 1117879900 /nfs/dbraw/zinc/87/99/00/1117879900.db2.gz CZHPFQOFHOVQQR-UHFFFAOYSA-N 1 1 271.763 3.886 20 30 CHEDMO CC[N@H+](Cc1ccc2c(c1)CCCC2)C[C@H](C)C#N ZINC000430231227 1117900248 /nfs/dbraw/zinc/90/02/48/1117900248.db2.gz XRLVXDAADVLTEN-CQSZACIVSA-N 1 1 256.393 3.547 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H]1C ZINC000251664897 1125481021 /nfs/dbraw/zinc/48/10/21/1125481021.db2.gz GFBDVHXGLAZVCP-CKEIUWERSA-N 1 1 256.393 3.815 20 30 CHEDMO C=CCCCCCCC[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001209442277 1118062696 /nfs/dbraw/zinc/06/26/96/1118062696.db2.gz PFSAUTBKBGGIDN-IYBDPMFKSA-N 1 1 252.446 3.537 20 30 CHEDMO C[C@@H](C#N)C[N@H+](CCSCc1ccccc1)C1CC1 ZINC000430743377 1118765925 /nfs/dbraw/zinc/76/59/25/1118765925.db2.gz OGUSWSTWPXEFOS-AWEZNQCLSA-N 1 1 274.433 3.544 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CCSCc1ccccc1)C1CC1 ZINC000430743377 1118765928 /nfs/dbraw/zinc/76/59/28/1118765928.db2.gz OGUSWSTWPXEFOS-AWEZNQCLSA-N 1 1 274.433 3.544 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000181051001 1118900665 /nfs/dbraw/zinc/90/06/65/1118900665.db2.gz FUJAPNURFMWRKI-UHFFFAOYSA-N 1 1 283.799 3.755 20 30 CHEDMO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@H]1c1cccc(F)c1 ZINC000343313221 1119382285 /nfs/dbraw/zinc/38/22/85/1119382285.db2.gz GDVWQOLDVISLCF-IUODEOHRSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CC2)[C@H]1c1cccc(F)c1 ZINC000343313221 1119382287 /nfs/dbraw/zinc/38/22/87/1119382287.db2.gz GDVWQOLDVISLCF-IUODEOHRSA-N 1 1 258.340 3.512 20 30 CHEDMO CC(C)C[N@@H+](CCCCC#N)Cc1ccc(C#N)cc1 ZINC000338735009 1120227796 /nfs/dbraw/zinc/22/77/96/1120227796.db2.gz STPCUVRQVHRDPW-UHFFFAOYSA-N 1 1 269.392 3.710 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000541391446 1120320442 /nfs/dbraw/zinc/32/04/42/1120320442.db2.gz WZUWTLPHPCRBEL-CQSZACIVSA-N 1 1 260.356 3.565 20 30 CHEDMO CCCCCCCCC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001128745983 1121145900 /nfs/dbraw/zinc/14/59/00/1121145900.db2.gz SHEMAENPPPPFIW-MRXNPFEDSA-N 1 1 296.499 3.974 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)cc1C#N ZINC001139722729 1121161687 /nfs/dbraw/zinc/16/16/87/1121161687.db2.gz FPNQRTZOPQZWEJ-ZFWWWQNUSA-N 1 1 256.393 3.735 20 30 CHEDMO CCCCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766124416 1121287165 /nfs/dbraw/zinc/28/71/65/1121287165.db2.gz XTNYNWSNQHAMQP-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766124416 1121287169 /nfs/dbraw/zinc/28/71/69/1121287169.db2.gz XTNYNWSNQHAMQP-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159865 1121496851 /nfs/dbraw/zinc/49/68/51/1121496851.db2.gz XZSKODATJYBVJM-AWEZNQCLSA-N 1 1 256.393 3.862 20 30 CHEDMO CC(C)CC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160930 1121497772 /nfs/dbraw/zinc/49/77/72/1121497772.db2.gz WYIVRRYWZJVCEA-UHFFFAOYSA-N 1 1 258.409 3.966 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC001176070914 1121529177 /nfs/dbraw/zinc/52/91/77/1121529177.db2.gz TTYZSGLBJIPSRB-ZDUSSCGKSA-N 1 1 292.220 3.603 20 30 CHEDMO Cc1ccc(C[N@@H+](CC(C)(C)CCC#N)C2CC2)o1 ZINC000611254247 1121632165 /nfs/dbraw/zinc/63/21/65/1121632165.db2.gz FOJZQDWIQDFIEO-UHFFFAOYSA-N 1 1 260.381 3.882 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccc(F)cc1Cl ZINC001176798094 1121692348 /nfs/dbraw/zinc/69/23/48/1121692348.db2.gz KQWJPRHCSJCLHX-HNNXBMFYSA-N 1 1 285.790 3.801 20 30 CHEDMO CCCCCCC[C@H](C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001181120599 1122037542 /nfs/dbraw/zinc/03/75/42/1122037542.db2.gz JBLHVTPJBIXXCI-DLBZAZTESA-N 1 1 296.499 3.831 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2[nH]ccc2c1 ZINC001205594590 1122640942 /nfs/dbraw/zinc/64/09/42/1122640942.db2.gz WMFCKXDDBAHASE-UHFFFAOYSA-N 1 1 255.365 3.684 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2[nH]ccc2c1 ZINC001205594590 1122640944 /nfs/dbraw/zinc/64/09/44/1122640944.db2.gz WMFCKXDDBAHASE-UHFFFAOYSA-N 1 1 255.365 3.684 20 30 CHEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001192944853 1122664216 /nfs/dbraw/zinc/66/42/16/1122664216.db2.gz XTTUSHDLTUADLN-JKSUJKDBSA-N 1 1 297.487 3.517 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001198790603 1123009755 /nfs/dbraw/zinc/00/97/55/1123009755.db2.gz JBNYSHOQRPACQW-ZDUSSCGKSA-N 1 1 281.831 3.570 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001198790603 1123009759 /nfs/dbraw/zinc/00/97/59/1123009759.db2.gz JBNYSHOQRPACQW-ZDUSSCGKSA-N 1 1 281.831 3.570 20 30 CHEDMO C=C(Cl)CN1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790603 1123009764 /nfs/dbraw/zinc/00/97/64/1123009764.db2.gz JBNYSHOQRPACQW-ZDUSSCGKSA-N 1 1 281.831 3.570 20 30 CHEDMO CCCCCCCCCN1CCC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001201846647 1123155951 /nfs/dbraw/zinc/15/59/51/1123155951.db2.gz JYGQHBRJPNMYGV-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000852410026 1123404710 /nfs/dbraw/zinc/40/47/10/1123404710.db2.gz GFJORTLHOOOEJW-LBPRGKRZSA-N 1 1 250.773 3.523 20 30 CHEDMO CSCCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000794572007 1123903251 /nfs/dbraw/zinc/90/32/51/1123903251.db2.gz JAMRCIDAJRQCEC-UHFFFAOYSA-N 1 1 294.464 3.510 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000877367186 1125024437 /nfs/dbraw/zinc/02/44/37/1125024437.db2.gz ZCEQKHONZKUMCU-AWEZNQCLSA-N 1 1 260.381 3.646 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(Br)c(C)cn1 ZINC001143668669 1131522651 /nfs/dbraw/zinc/52/26/51/1131522651.db2.gz ZLFXISPHBPJBGC-UHFFFAOYSA-N 1 1 297.240 3.941 20 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C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)cs1 ZINC000611561496 1125754074 /nfs/dbraw/zinc/75/40/74/1125754074.db2.gz RUEHTYSOQLFBDW-KOLCDFICSA-N 1 1 288.338 3.783 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000092541699 1125759651 /nfs/dbraw/zinc/75/96/51/1125759651.db2.gz MXKOWSBNPIKMEM-UHFFFAOYSA-N 1 1 272.367 3.591 20 30 CHEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](CCC#N)CC2CC2)c1 ZINC000093091402 1125764559 /nfs/dbraw/zinc/76/45/59/1125764559.db2.gz HIXJZPQWRXTQQF-UHFFFAOYSA-N 1 1 294.402 3.511 20 30 CHEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+](CCC#N)CC2CC2)c1 ZINC000093091402 1125764563 /nfs/dbraw/zinc/76/45/63/1125764563.db2.gz HIXJZPQWRXTQQF-UHFFFAOYSA-N 1 1 294.402 3.511 20 30 CHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000093561712 1125771229 /nfs/dbraw/zinc/77/12/29/1125771229.db2.gz XTFRIKQHEAKUIF-OCCSQVGLSA-N 1 1 284.334 3.668 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000739914918 1129409796 /nfs/dbraw/zinc/40/97/96/1129409796.db2.gz 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259.393 3.798 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cncs2)no1 ZINC000904690659 1126866283 /nfs/dbraw/zinc/86/62/83/1126866283.db2.gz AOZWFRXDOAVMNV-LLVKDONJSA-N 1 1 294.424 3.944 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000904607358 1126862242 /nfs/dbraw/zinc/86/22/42/1126862242.db2.gz OQRWCVXKIJXVOE-OCCSQVGLSA-N 1 1 287.363 3.566 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](C)C(C)(C)C)no1 ZINC000904612188 1126862847 /nfs/dbraw/zinc/86/28/47/1126862847.db2.gz JHMJJDFLNMBYRE-QWRGUYRKSA-N 1 1 251.374 3.575 20 30 CHEDMO C(=[NH+]OC1CCC1)c1ccc(N2CCCCC2)s1 ZINC000812235390 1130676019 /nfs/dbraw/zinc/67/60/19/1130676019.db2.gz FNGNQNXTSARMBS-UHFFFAOYSA-N 1 1 264.394 3.641 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ncnn1CC(C)C)c1ccccc1 ZINC000183109456 1126881813 /nfs/dbraw/zinc/88/18/13/1126881813.db2.gz OVOQRYOTNYLHJD-KRWDZBQOSA-N 1 1 298.434 3.731 20 30 CHEDMO C[C@@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827444 1126903127 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ZINC000189804096 1126935342 /nfs/dbraw/zinc/93/53/42/1126935342.db2.gz YFLYKDDVZMKORX-OAHLLOKOSA-N 1 1 279.387 3.845 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000189347815 1126931453 /nfs/dbraw/zinc/93/14/53/1126931453.db2.gz ALXFJZGUWKIEJU-RISCZKNCSA-N 1 1 282.309 3.894 20 30 CHEDMO CCCCCCC[N@@H+](CC)C[C@@H](N)c1ccccc1 ZINC001235659905 1130762216 /nfs/dbraw/zinc/76/22/16/1130762216.db2.gz CKXDHVIAABINHO-QGZVFWFLSA-N 1 1 262.441 3.979 20 30 CHEDMO CCCCCCCN(CC)C[C@@H]([NH3+])c1ccccc1 ZINC001235659905 1130762221 /nfs/dbraw/zinc/76/22/21/1130762221.db2.gz CKXDHVIAABINHO-QGZVFWFLSA-N 1 1 262.441 3.979 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906324760 1126947640 /nfs/dbraw/zinc/94/76/40/1126947640.db2.gz KODKXMZBILWEAD-GOSISDBHSA-N 1 1 296.418 3.800 20 30 CHEDMO Cn1cc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1C#N ZINC000191368777 1126951306 /nfs/dbraw/zinc/95/13/06/1126951306.db2.gz VMFGPMODYWMQAI-INIZCTEOSA-N 1 1 283.375 3.607 20 30 CHEDMO Cc1csc([C@H]([NH2+]CC#Cc2ccccc2)C2CC2)n1 ZINC000192165154 1126958236 /nfs/dbraw/zinc/95/82/36/1126958236.db2.gz RLIAQDVCRXOAIL-MRXNPFEDSA-N 1 1 282.412 3.544 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000485887080 1126960813 /nfs/dbraw/zinc/96/08/13/1126960813.db2.gz FHLVPPLGXCOXSQ-KURKYZTESA-N 1 1 280.415 3.948 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000485887082 1126961281 /nfs/dbraw/zinc/96/12/81/1126961281.db2.gz FHLVPPLGXCOXSQ-RCCFBDPRSA-N 1 1 280.415 3.948 20 30 CHEDMO C=CCCCCC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000193366258 1126968466 /nfs/dbraw/zinc/96/84/66/1126968466.db2.gz OMCNHWNRHBMKIZ-UHFFFAOYSA-N 1 1 296.418 3.507 20 30 CHEDMO C=CCCCCC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000193366258 1126968469 /nfs/dbraw/zinc/96/84/69/1126968469.db2.gz OMCNHWNRHBMKIZ-UHFFFAOYSA-N 1 1 296.418 3.507 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C(C)C ZINC000783529649 1130834961 /nfs/dbraw/zinc/83/49/61/1130834961.db2.gz NHWRSLXIFPVGGL-UHFFFAOYSA-N 1 1 261.394 3.535 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266589691 1126984792 /nfs/dbraw/zinc/98/47/92/1126984792.db2.gz LVAXMYFHQJIHIX-UWWQBHOKSA-N 1 1 284.403 3.742 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)c(C)c1 ZINC000486649960 1126991918 /nfs/dbraw/zinc/99/19/18/1126991918.db2.gz ITDXCVKUZNMKCT-UHFFFAOYSA-N 1 1 284.428 3.993 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(C)c1 ZINC000486685241 1126996070 /nfs/dbraw/zinc/99/60/70/1126996070.db2.gz PGKIYKBQMXHHLQ-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO C=CCCCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000486736086 1126997732 /nfs/dbraw/zinc/99/77/32/1126997732.db2.gz YJMLOVYUXFPDCC-UHFFFAOYSA-N 1 1 292.492 3.655 20 30 CHEDMO C=C/C=C/CC[N@@H+](CC=C)Cc1ccc(OC)cc1 ZINC001307423750 1127006122 /nfs/dbraw/zinc/00/61/22/1127006122.db2.gz LSBGNULYWJAYKQ-VOTSOKGWSA-N 1 1 257.377 3.816 20 30 CHEDMO CCc1noc(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000268140547 1127012742 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1127049333 /nfs/dbraw/zinc/04/93/33/1127049333.db2.gz IIQBTLLXAVSJBK-JKSUJKDBSA-N 1 1 290.455 3.501 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270161584 1127050444 /nfs/dbraw/zinc/05/04/44/1127050444.db2.gz IOTWTQLYCPKKTE-LLVKDONJSA-N 1 1 280.293 3.814 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270161584 1127050447 /nfs/dbraw/zinc/05/04/47/1127050447.db2.gz IOTWTQLYCPKKTE-LLVKDONJSA-N 1 1 280.293 3.814 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000488004817 1127051797 /nfs/dbraw/zinc/05/17/97/1127051797.db2.gz XNUHMHXWVMFIOV-MRXNPFEDSA-N 1 1 253.430 3.871 20 30 CHEDMO C=CCCCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000488123938 1127057999 /nfs/dbraw/zinc/05/79/99/1127057999.db2.gz JDUGVBWCFBSBAY-JKSUJKDBSA-N 1 1 283.481 3.719 20 30 CHEDMO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)ccc1C#N ZINC000488197422 1127061918 /nfs/dbraw/zinc/06/19/18/1127061918.db2.gz GNPJWZJTHNQURE-SFHVURJKSA-N 1 1 279.387 3.542 20 30 CHEDMO Cc1cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)ccc1C#N ZINC000488249837 1127065281 /nfs/dbraw/zinc/06/52/81/1127065281.db2.gz OKQGVBMYWSSSIJ-HNNXBMFYSA-N 1 1 292.382 3.650 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CC(C)(C)CCC#N ZINC000271034143 1127065607 /nfs/dbraw/zinc/06/56/07/1127065607.db2.gz JMYFZZMJVHESRT-LBPRGKRZSA-N 1 1 262.422 3.997 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001236689070 1130994158 /nfs/dbraw/zinc/99/41/58/1130994158.db2.gz IAWDNIBHXSSFAQ-LBPRGKRZSA-N 1 1 256.374 3.637 20 30 CHEDMO Cc1cnc([C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C2CC2)s1 ZINC000488272196 1127067177 /nfs/dbraw/zinc/06/71/77/1127067177.db2.gz MCEDHMSSWZXETC-INIZCTEOSA-N 1 1 297.427 3.873 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000339128056 1127114411 /nfs/dbraw/zinc/11/44/11/1127114411.db2.gz ORQJFZMXEMKNAW-GWCFXTLKSA-N 1 1 266.747 3.603 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c(O)cccc1OC(F)(F)F ZINC001237122673 1131055574 /nfs/dbraw/zinc/05/55/74/1131055574.db2.gz KBQLFICRYFUCKN-UHFFFAOYSA-N 1 1 289.297 3.689 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000348892165 1127133907 /nfs/dbraw/zinc/13/39/07/1127133907.db2.gz HYVPYSLWBUWEEU-LJQANCHMSA-N 1 1 294.398 3.984 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349372615 1127149476 /nfs/dbraw/zinc/14/94/76/1127149476.db2.gz NAMABWHVADWXRM-OAHLLOKOSA-N 1 1 288.439 3.608 20 30 CHEDMO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349372615 1127149479 /nfs/dbraw/zinc/14/94/79/1127149479.db2.gz NAMABWHVADWXRM-OAHLLOKOSA-N 1 1 288.439 3.608 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349372615 1127149482 /nfs/dbraw/zinc/14/94/82/1127149482.db2.gz NAMABWHVADWXRM-OAHLLOKOSA-N 1 1 288.439 3.608 20 30 CHEDMO COCC[N@@H+](Cc1cccs1)CC(C)(C)CCC#N ZINC000349525709 1127153390 /nfs/dbraw/zinc/15/33/90/1127153390.db2.gz WMRSWQQHEJKPIP-UHFFFAOYSA-N 1 1 280.437 3.526 20 30 CHEDMO Cc1cc(C)c(O)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000164290307 1127160903 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ZINC001237525976 1131111065 /nfs/dbraw/zinc/11/10/65/1131111065.db2.gz LEUMFWFCOZLTBT-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)c(F)cc2F)cc1 ZINC001237525976 1131111069 /nfs/dbraw/zinc/11/10/69/1131111069.db2.gz LEUMFWFCOZLTBT-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)[C@H]1CCc2ccccc21 ZINC001237531373 1131111283 /nfs/dbraw/zinc/11/12/83/1131111283.db2.gz LCAWVYADTDGCDO-SFHVURJKSA-N 1 1 298.336 3.956 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)c(F)cc1F)[C@H]1CCc2ccccc21 ZINC001237531373 1131111287 /nfs/dbraw/zinc/11/12/87/1131111287.db2.gz LCAWVYADTDGCDO-SFHVURJKSA-N 1 1 298.336 3.956 20 30 CHEDMO CCCCCCCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001274802550 1127186403 /nfs/dbraw/zinc/18/64/03/1127186403.db2.gz QXNRYUUDYCUEPI-IYBDPMFKSA-N 1 1 294.483 3.678 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000351322908 1127188095 /nfs/dbraw/zinc/18/80/95/1127188095.db2.gz DCVFCPWKCLGEHJ-NVXWUHKLSA-N 1 1 256.393 3.948 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000572464379 1127201641 /nfs/dbraw/zinc/20/16/41/1127201641.db2.gz UTHXRYKMUMUTKQ-RDTXWAMCSA-N 1 1 277.371 3.504 20 30 CHEDMO C=CC[N@@H+](Cc1ccsc1)Cc1ccc(OC)cc1 ZINC000352383683 1127227677 /nfs/dbraw/zinc/22/76/77/1127227677.db2.gz MDWOWCSUBRGDFC-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000352463020 1127235025 /nfs/dbraw/zinc/23/50/25/1127235025.db2.gz HSEHYFMDERJCTM-NSHDSACASA-N 1 1 266.747 3.729 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@H](C)CC ZINC001275111974 1127235685 /nfs/dbraw/zinc/23/56/85/1127235685.db2.gz VHHUMWDQFHZTOK-BRWVUGGUSA-N 1 1 294.483 3.821 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000285900142 1127246364 /nfs/dbraw/zinc/24/63/64/1127246364.db2.gz CRLLULBCJCSLPL-AWEZNQCLSA-N 1 1 286.331 3.985 20 30 CHEDMO C=C(C)C[N@H+](CCOC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352899778 1127248878 /nfs/dbraw/zinc/24/88/78/1127248878.db2.gz 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C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000591012295 1127282381 /nfs/dbraw/zinc/28/23/81/1127282381.db2.gz MDWZHNAMTUKVSP-NJAFHUGGSA-N 1 1 286.419 3.778 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)CCC(F)(F)F ZINC000353995324 1127284077 /nfs/dbraw/zinc/28/40/77/1127284077.db2.gz HSERPPYHZHPMBC-UHFFFAOYSA-N 1 1 250.308 3.591 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(F)(F)F ZINC000353995324 1127284080 /nfs/dbraw/zinc/28/40/80/1127284080.db2.gz HSERPPYHZHPMBC-UHFFFAOYSA-N 1 1 250.308 3.591 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063354 1127286009 /nfs/dbraw/zinc/28/60/09/1127286009.db2.gz RFUFIWXXLHQSTH-GUYCJALGSA-N 1 1 254.377 3.741 20 30 CHEDMO C[N@@H+](CCCNc1cccc(F)c1C#N)Cc1ccccc1 ZINC000057877739 1127287421 /nfs/dbraw/zinc/28/74/21/1127287421.db2.gz BNHOMZAKJKOYBP-UHFFFAOYSA-N 1 1 297.377 3.631 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000760818796 1127294943 /nfs/dbraw/zinc/29/49/43/1127294943.db2.gz PBHFEJBFETUYRC-AWEZNQCLSA-N 1 1 278.193 3.609 20 30 CHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000354125969 1127295162 /nfs/dbraw/zinc/29/51/62/1127295162.db2.gz GYSILIOWMBUIIX-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO C#CCC[N@H+](CCC)Cc1ccccc1Br ZINC000760820518 1127295430 /nfs/dbraw/zinc/29/54/30/1127295430.db2.gz QEHFXQIQZDCCCJ-UHFFFAOYSA-N 1 1 280.209 3.684 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ncc1F)c1ccccc1 ZINC000287633385 1127311254 /nfs/dbraw/zinc/31/12/54/1127311254.db2.gz KMXHFIFTQRFRQQ-SUMWQHHRSA-N 1 1 298.361 3.645 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000591839081 1127321882 /nfs/dbraw/zinc/32/18/82/1127321882.db2.gz CCNVGEWSFWFZFN-LBPRGKRZSA-N 1 1 297.427 3.696 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000591839081 1127321885 /nfs/dbraw/zinc/32/18/85/1127321885.db2.gz CCNVGEWSFWFZFN-LBPRGKRZSA-N 1 1 297.427 3.696 20 30 CHEDMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592095421 1127324111 /nfs/dbraw/zinc/32/41/11/1127324111.db2.gz WGVPPWYQHSVVRN-CQSZACIVSA-N 1 1 295.386 3.591 20 30 CHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089226 1127330259 /nfs/dbraw/zinc/33/02/59/1127330259.db2.gz JRGXCLCREIPTQN-QGZVFWFLSA-N 1 1 298.411 3.836 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)CC12CCCCC2 ZINC000592101588 1127333557 /nfs/dbraw/zinc/33/35/57/1127333557.db2.gz BYIOJAHMBQCPAB-OAHLLOKOSA-N 1 1 283.419 3.746 20 30 CHEDMO N#Cc1cnccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000592104501 1127333759 /nfs/dbraw/zinc/33/37/59/1127333759.db2.gz KZXYBGHIZULJGP-GOSISDBHSA-N 1 1 277.371 3.584 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccncc2C#N)C1 ZINC000592069298 1127335035 /nfs/dbraw/zinc/33/50/35/1127335035.db2.gz OJVSNYKFTNOPAD-RDJZCZTQSA-N 1 1 291.398 3.640 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1 ZINC000592092958 1127336240 /nfs/dbraw/zinc/33/62/40/1127336240.db2.gz JZMABTOXKPQYSQ-INIZCTEOSA-N 1 1 285.778 3.848 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000592154710 1127338190 /nfs/dbraw/zinc/33/81/90/1127338190.db2.gz TUMGTNTZTJVIMF-OWCLPIDISA-N 1 1 273.424 3.578 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592153358 1127340015 /nfs/dbraw/zinc/34/00/15/1127340015.db2.gz AZTJQTDKRJSDSR-NVXWUHKLSA-N 1 1 283.419 3.601 20 30 CHEDMO CC[N@@H+](CCSC)CCC1(C#N)CCCCC1 ZINC000592202614 1127340362 /nfs/dbraw/zinc/34/03/62/1127340362.db2.gz PPWLZTARUIIWOE-UHFFFAOYSA-N 1 1 254.443 3.535 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000760962432 1127342326 /nfs/dbraw/zinc/34/23/26/1127342326.db2.gz MZHZWZOHXDXNRX-HNNXBMFYSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000760962432 1127342331 /nfs/dbraw/zinc/34/23/31/1127342331.db2.gz MZHZWZOHXDXNRX-HNNXBMFYSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000760962432 1127342335 /nfs/dbraw/zinc/34/23/35/1127342335.db2.gz MZHZWZOHXDXNRX-HNNXBMFYSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000760962432 1127342338 /nfs/dbraw/zinc/34/23/38/1127342338.db2.gz MZHZWZOHXDXNRX-HNNXBMFYSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000760962432 1127342342 /nfs/dbraw/zinc/34/23/42/1127342342.db2.gz MZHZWZOHXDXNRX-HNNXBMFYSA-N 1 1 278.444 3.653 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCC(C)(C)C1 ZINC000355577048 1127350803 /nfs/dbraw/zinc/35/08/03/1127350803.db2.gz CUYNJHOBRAGCRI-CQSZACIVSA-N 1 1 260.356 3.708 20 30 CHEDMO CC[C@H](OCC[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000593016854 1127365554 /nfs/dbraw/zinc/36/55/54/1127365554.db2.gz XESAUVGZIVNVTR-SFHVURJKSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@H](OCC[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000593016854 1127365557 /nfs/dbraw/zinc/36/55/57/1127365557.db2.gz XESAUVGZIVNVTR-SFHVURJKSA-N 1 1 286.419 3.780 20 30 CHEDMO C[C@@H]1C[N@H+](CC2(C#N)CC2)CCc2ccc(Cl)cc21 ZINC000593065540 1127368070 /nfs/dbraw/zinc/36/80/70/1127368070.db2.gz DKGDMJSABAPQKU-GFCCVEGCSA-N 1 1 274.795 3.605 20 30 CHEDMO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CCc2ccc(Cl)cc21 ZINC000593065540 1127368073 /nfs/dbraw/zinc/36/80/73/1127368073.db2.gz DKGDMJSABAPQKU-GFCCVEGCSA-N 1 1 274.795 3.605 20 30 CHEDMO C#Cc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000289326076 1127380714 /nfs/dbraw/zinc/38/07/14/1127380714.db2.gz UIMVCRQFCVNUEA-GOSISDBHSA-N 1 1 297.398 3.764 20 30 CHEDMO C#Cc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000289326080 1127381040 /nfs/dbraw/zinc/38/10/40/1127381040.db2.gz UIMVCRQFCVNUEA-SFHVURJKSA-N 1 1 297.398 3.764 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccco1 ZINC000289572084 1127384424 /nfs/dbraw/zinc/38/44/24/1127384424.db2.gz AZHLMGYYSNGPEE-AWEZNQCLSA-N 1 1 285.391 3.538 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000138893988 1127410976 /nfs/dbraw/zinc/41/09/76/1127410976.db2.gz OZJBLIBYWRTTMY-SFHVURJKSA-N 1 1 278.355 3.601 20 30 CHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000046527513 1127413509 /nfs/dbraw/zinc/41/35/09/1127413509.db2.gz IZZMCPXINZYOIC-UHFFFAOYSA-N 1 1 298.361 3.598 20 30 CHEDMO C[C@H](CC#N)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000594710911 1127428895 /nfs/dbraw/zinc/42/88/95/1127428895.db2.gz JUQTVTMUWUDLOA-GFCCVEGCSA-N 1 1 256.374 3.807 20 30 CHEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000358560534 1127427491 /nfs/dbraw/zinc/42/74/91/1127427491.db2.gz FBWYESPOHIXLQG-FZKQIMNGSA-N 1 1 298.361 3.736 20 30 CHEDMO CC(C)([NH2+]Cc1csc(C2CC2)n1)c1cccc(C#N)c1 ZINC000594970136 1127437409 /nfs/dbraw/zinc/43/74/09/1127437409.db2.gz ULJLIHQESVDPRG-UHFFFAOYSA-N 1 1 297.427 3.917 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(CSC(F)F)o1 ZINC000158139398 1127451841 /nfs/dbraw/zinc/45/18/41/1127451841.db2.gz WVPUNDJFQXYFFP-UHFFFAOYSA-N 1 1 273.348 3.909 20 30 CHEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000595080776 1127453616 /nfs/dbraw/zinc/45/36/16/1127453616.db2.gz NYVVTSLIMVCUJT-CRAIPNDOSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000595080776 1127453618 /nfs/dbraw/zinc/45/36/18/1127453618.db2.gz NYVVTSLIMVCUJT-CRAIPNDOSA-N 1 1 297.446 3.616 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCCCC1 ZINC000595091598 1127454351 /nfs/dbraw/zinc/45/43/51/1127454351.db2.gz RXNSKAXEHORWML-QGZVFWFLSA-N 1 1 284.403 3.833 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCCCC1 ZINC000595092093 1127454896 /nfs/dbraw/zinc/45/48/96/1127454896.db2.gz WFEXZLPVUATDOZ-MRXNPFEDSA-N 1 1 284.403 3.833 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595335745 1127458846 /nfs/dbraw/zinc/45/88/46/1127458846.db2.gz VKIWJIGXCMBCLJ-RSRPTUBKSA-N 1 1 280.415 3.804 20 30 CHEDMO N#Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000595325371 1127459814 /nfs/dbraw/zinc/45/98/14/1127459814.db2.gz GTISHOVBDSBZJK-IBGZPJMESA-N 1 1 298.430 3.524 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595437361 1127462931 /nfs/dbraw/zinc/46/29/31/1127462931.db2.gz FYNSQHWTFBDRGF-DNVCBOLYSA-N 1 1 291.398 3.579 20 30 CHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595437363 1127463011 /nfs/dbraw/zinc/46/30/11/1127463011.db2.gz FYNSQHWTFBDRGF-KXBFYZLASA-N 1 1 291.398 3.579 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)ccc1C#N ZINC000595499843 1127464097 /nfs/dbraw/zinc/46/40/97/1127464097.db2.gz BDVZOXKFOVESCQ-GOSISDBHSA-N 1 1 291.398 3.641 20 30 CHEDMO C[N@@H+](CC[C@@H]1CCc2ccccc21)CC(C)(C)C#N ZINC000595502895 1127464253 /nfs/dbraw/zinc/46/42/53/1127464253.db2.gz XELRBGFTSVCPJE-HNNXBMFYSA-N 1 1 256.393 3.588 20 30 CHEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCCC#N ZINC000595519202 1127464717 /nfs/dbraw/zinc/46/47/17/1127464717.db2.gz VRAVLYZHAWHZNY-NSHDSACASA-N 1 1 290.798 3.903 20 30 CHEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCCCC#N ZINC000595519202 1127464719 /nfs/dbraw/zinc/46/47/19/1127464719.db2.gz VRAVLYZHAWHZNY-NSHDSACASA-N 1 1 290.798 3.903 20 30 CHEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCCCC#N ZINC000595519202 1127464720 /nfs/dbraw/zinc/46/47/20/1127464720.db2.gz VRAVLYZHAWHZNY-NSHDSACASA-N 1 1 290.798 3.903 20 30 CHEDMO CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](CC#N)C3)c2O1 ZINC000595622924 1127468618 /nfs/dbraw/zinc/46/86/18/1127468618.db2.gz FYIWDGPFJFCKSE-CQSZACIVSA-N 1 1 284.403 3.526 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000359515761 1127465840 /nfs/dbraw/zinc/46/58/40/1127465840.db2.gz OFDCMVNNNOBHSB-GFCCVEGCSA-N 1 1 279.380 3.551 20 30 CHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595541069 1127466039 /nfs/dbraw/zinc/46/60/39/1127466039.db2.gz QTHOQQPBTMKRLK-OAHLLOKOSA-N 1 1 296.389 3.803 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595551909 1127467091 /nfs/dbraw/zinc/46/70/91/1127467091.db2.gz ZPRIMUOOYFLSIO-HNNXBMFYSA-N 1 1 289.382 3.665 20 30 CHEDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616732 1127468070 /nfs/dbraw/zinc/46/80/70/1127468070.db2.gz WQBPIWGVBWVYED-BBRMVZONSA-N 1 1 260.356 3.902 20 30 CHEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 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C[N@@H+](CCCCC1(C#N)CCC1)[C@H](CO)CC(C)(C)C ZINC000930651687 1128329260 /nfs/dbraw/zinc/32/92/60/1128329260.db2.gz ZIQFBXJDTGVQDD-HNNXBMFYSA-N 1 1 280.456 3.579 20 30 CHEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000930698410 1128330765 /nfs/dbraw/zinc/33/07/65/1128330765.db2.gz ZTCMDYBDMLQPCJ-OALUTQOASA-N 1 1 291.398 3.721 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000930823712 1128336029 /nfs/dbraw/zinc/33/60/29/1128336029.db2.gz SZRQQLYOXVVIJB-INIZCTEOSA-N 1 1 298.430 3.566 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000561674427 1128346155 /nfs/dbraw/zinc/34/61/55/1128346155.db2.gz RQBYNZBTEZPQLQ-AWEZNQCLSA-N 1 1 260.356 3.555 20 30 CHEDMO CC[C@H]1CCCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235659690 1128346202 /nfs/dbraw/zinc/34/62/02/1128346202.db2.gz YNHOLYAQJAXBKI-LBPRGKRZSA-N 1 1 264.319 3.601 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235659690 1128346206 /nfs/dbraw/zinc/34/62/06/1128346206.db2.gz 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C=CC[C@@H]1CC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000934471886 1128461812 /nfs/dbraw/zinc/46/18/12/1128461812.db2.gz VXTCIKINDVVLES-CQSZACIVSA-N 1 1 284.359 3.501 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000934471886 1128461814 /nfs/dbraw/zinc/46/18/14/1128461814.db2.gz VXTCIKINDVVLES-CQSZACIVSA-N 1 1 284.359 3.501 20 30 CHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000934649158 1128465436 /nfs/dbraw/zinc/46/54/36/1128465436.db2.gz LWQNTZAHAAZBKM-MRXNPFEDSA-N 1 1 288.435 3.919 20 30 CHEDMO C=CCCC[N@@H+](CC)Cc1csc([C@H](C)OC)n1 ZINC000934646708 1128465556 /nfs/dbraw/zinc/46/55/56/1128465556.db2.gz SQRZEPBVXZOODH-LBPRGKRZSA-N 1 1 268.426 3.639 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1csc([C@H](C)OC)n1 ZINC000934646708 1128465558 /nfs/dbraw/zinc/46/55/58/1128465558.db2.gz SQRZEPBVXZOODH-LBPRGKRZSA-N 1 1 268.426 3.639 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1nccn1Cc1ccccc1 ZINC000934645066 1128465465 /nfs/dbraw/zinc/46/54/65/1128465465.db2.gz APBINMBNAUIJMW-UHFFFAOYSA-N 1 1 283.419 3.720 20 30 CHEDMO C=CCCC[N@H+](CC)CCc1nc(-c2ccccc2)no1 ZINC000934647075 1128465930 /nfs/dbraw/zinc/46/59/30/1128465930.db2.gz YXUFDOCWLXDCMZ-UHFFFAOYSA-N 1 1 285.391 3.567 20 30 CHEDMO C=CC[N@H+](Cc1coc(-c2cccs2)n1)C(C)C ZINC000917069653 1128475114 /nfs/dbraw/zinc/47/51/14/1128475114.db2.gz TYMXNHJKQZNOKB-UHFFFAOYSA-N 1 1 262.378 3.800 20 30 CHEDMO C=CC[N@@H+](Cc1coc(-c2cccs2)n1)C(C)C ZINC000917069653 1128475118 /nfs/dbraw/zinc/47/51/18/1128475118.db2.gz TYMXNHJKQZNOKB-UHFFFAOYSA-N 1 1 262.378 3.800 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)C(C)C ZINC000917071490 1128475802 /nfs/dbraw/zinc/47/58/02/1128475802.db2.gz SNKSBGIHFJIWLH-UHFFFAOYSA-N 1 1 274.408 3.645 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)C(C)C ZINC000917071490 1128475803 /nfs/dbraw/zinc/47/58/03/1128475803.db2.gz SNKSBGIHFJIWLH-UHFFFAOYSA-N 1 1 274.408 3.645 20 30 CHEDMO CCC[N@@H+](CC1CCC(C#N)CC1)C[C@H]1CCCCO1 ZINC000929968426 1128490613 /nfs/dbraw/zinc/49/06/13/1128490613.db2.gz 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/nfs/dbraw/zinc/46/72/83/1122467283.db2.gz STTFCSZKGUBJNV-OAHLLOKOSA-N 1 1 295.430 3.623 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000775178368 1122467322 /nfs/dbraw/zinc/46/73/22/1122467322.db2.gz IYGSKJBTBMMDTL-SECBINFHSA-N 1 1 275.701 3.812 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)c1cccc(Br)c1 ZINC000775180101 1122469453 /nfs/dbraw/zinc/46/94/53/1122469453.db2.gz VFVHLQQMPKMFLR-NWDGAFQWSA-N 1 1 280.209 3.506 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000775184000 1122471290 /nfs/dbraw/zinc/47/12/90/1122471290.db2.gz RMIYMVTUKNYPSY-ZDUSSCGKSA-N 1 1 255.386 3.869 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000425529216 1122543906 /nfs/dbraw/zinc/54/39/06/1122543906.db2.gz BBKRHQGHUYSBQI-JSGCOSHPSA-N 1 1 278.346 3.986 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000425533416 1122543956 /nfs/dbraw/zinc/54/39/56/1122543956.db2.gz KTKBFYJWZXTNLJ-OAHLLOKOSA-N 1 1 292.382 3.824 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000775400606 1122546780 /nfs/dbraw/zinc/54/67/80/1122546780.db2.gz QFHYRNPVXYOYDJ-HNNXBMFYSA-N 1 1 294.329 3.821 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1 ZINC000775403374 1122551020 /nfs/dbraw/zinc/55/10/20/1122551020.db2.gz HJCJQIHWJODUKK-ZDUSSCGKSA-N 1 1 276.792 3.651 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000505841966 1122558030 /nfs/dbraw/zinc/55/80/30/1122558030.db2.gz AMTJJZUQQLMVKO-UHFFFAOYSA-N 1 1 269.392 3.783 20 30 CHEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1cncc(C#N)c1 ZINC001191112445 1122573114 /nfs/dbraw/zinc/57/31/14/1122573114.db2.gz NSMRVJLYTZCQCA-QGZVFWFLSA-N 1 1 271.408 3.744 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001191146579 1122577546 /nfs/dbraw/zinc/57/75/46/1122577546.db2.gz WUEHXSJJXOMPIQ-JKSUJKDBSA-N 1 1 281.440 3.644 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1C#N ZINC001191340730 1122591156 /nfs/dbraw/zinc/59/11/56/1122591156.db2.gz KCJPOFKKPCQCDX-MRXNPFEDSA-N 1 1 256.393 3.877 20 30 CHEDMO C=CC[N@H+](Cc1ccc(N(C)c2ccccc2)nc1)C1CC1 ZINC000437130602 1122615369 /nfs/dbraw/zinc/61/53/69/1122615369.db2.gz ZCZBWEFGDCUVQL-UHFFFAOYSA-N 1 1 293.414 4.000 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000516606355 1122615782 /nfs/dbraw/zinc/61/57/82/1122615782.db2.gz IDBHPSDUUZJXMW-GOSISDBHSA-N 1 1 273.420 3.979 20 30 CHEDMO CC#CC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001192199521 1122632335 /nfs/dbraw/zinc/63/23/35/1122632335.db2.gz NQTDCVQSSGYQRF-JKGDOXCYSA-N 1 1 253.389 3.968 20 30 CHEDMO CC#CC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001192199520 1122632721 /nfs/dbraw/zinc/63/27/21/1122632721.db2.gz NQTDCVQSSGYQRF-HWOXTHGCSA-N 1 1 253.389 3.968 20 30 CHEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437410315 1122633593 /nfs/dbraw/zinc/63/35/93/1122633593.db2.gz LMBPOQYZUJUJFQ-LLVKDONJSA-N 1 1 282.334 3.636 20 30 CHEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)C1(C)CC1 ZINC000437517303 1122637923 /nfs/dbraw/zinc/63/79/23/1122637923.db2.gz JWEKZNVFDAXJMB-LLVKDONJSA-N 1 1 294.345 3.780 20 30 CHEDMO C=CCCC[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC001192966167 1122667982 /nfs/dbraw/zinc/66/79/82/1122667982.db2.gz UILGFKOABIMYTJ-HNNXBMFYSA-N 1 1 275.392 3.579 20 30 CHEDMO C=CCCC[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC001192966167 1122667984 /nfs/dbraw/zinc/66/79/84/1122667984.db2.gz UILGFKOABIMYTJ-HNNXBMFYSA-N 1 1 275.392 3.579 20 30 CHEDMO CCCCCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001193011173 1122669856 /nfs/dbraw/zinc/66/98/56/1122669856.db2.gz GNSPAJOAHICRLY-SFHVURJKSA-N 1 1 274.452 3.946 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438193141 1122686408 /nfs/dbraw/zinc/68/64/08/1122686408.db2.gz UJEVDBXIPZATPN-INIZCTEOSA-N 1 1 259.368 3.688 20 30 CHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccccc1C#N ZINC001193447770 1122689297 /nfs/dbraw/zinc/68/92/97/1122689297.db2.gz GWBGIWZVXCIMFW-WBVHZDCISA-N 1 1 286.419 3.838 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437844263 1122724602 /nfs/dbraw/zinc/72/46/02/1122724602.db2.gz HWCGAKNZDKQYJO-GOSISDBHSA-N 1 1 280.346 3.514 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437844263 1122724606 /nfs/dbraw/zinc/72/46/06/1122724606.db2.gz HWCGAKNZDKQYJO-GOSISDBHSA-N 1 1 280.346 3.514 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](OC)C1CCCCC1 ZINC001193942252 1122735082 /nfs/dbraw/zinc/73/50/82/1122735082.db2.gz LNEDZIGMVLKQPY-JKSUJKDBSA-N 1 1 251.414 3.622 20 30 CHEDMO CCCCCCCOC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001194003974 1122736947 /nfs/dbraw/zinc/73/69/47/1122736947.db2.gz GAMVIBFLANIFQL-HNNXBMFYSA-N 1 1 284.444 3.508 20 30 CHEDMO C=CC[N@H+](CCCOc1ccc2ccccc2c1)CCOC ZINC001193991546 1122740704 /nfs/dbraw/zinc/74/07/04/1122740704.db2.gz XAKVXVOILBPTFB-UHFFFAOYSA-N 1 1 299.414 3.743 20 30 CHEDMO C#CC[N@H+](CCSC(C)(C)C)Cc1ccccc1 ZINC001194162588 1122752649 /nfs/dbraw/zinc/75/26/49/1122752649.db2.gz FVROGDBHJIOHCO-UHFFFAOYSA-N 1 1 261.434 3.654 20 30 CHEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)CC(C)C ZINC000153689343 1129075872 /nfs/dbraw/zinc/07/58/72/1129075872.db2.gz WEVQKCFEMNNVBG-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000518465897 1122758633 /nfs/dbraw/zinc/75/86/33/1122758633.db2.gz HMNYKIXXIXECGP-DNVCBOLYSA-N 1 1 291.398 3.806 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000426367909 1122776762 /nfs/dbraw/zinc/77/67/62/1122776762.db2.gz ZBTMMQXZYCPTKQ-CYBMUJFWSA-N 1 1 273.807 3.954 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC3)C2)c(Cl)c1 ZINC000439416928 1122777463 /nfs/dbraw/zinc/77/74/63/1122777463.db2.gz BSQFOBMDSFZUPQ-UHFFFAOYSA-N 1 1 260.768 3.588 20 30 CHEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001194748213 1122794603 /nfs/dbraw/zinc/79/46/03/1122794603.db2.gz PGMJLUFITNYMAV-OAHLLOKOSA-N 1 1 284.444 3.556 20 30 CHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426468385 1122799179 /nfs/dbraw/zinc/79/91/79/1122799179.db2.gz FOXRUYJNJJQSPH-ZBFHGGJFSA-N 1 1 293.332 3.931 20 30 CHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CC1(C)C ZINC000426547674 1122818321 /nfs/dbraw/zinc/81/83/21/1122818321.db2.gz GICQUKIMIIKUTH-INIZCTEOSA-N 1 1 272.392 3.599 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1OC ZINC000426570136 1122824894 /nfs/dbraw/zinc/82/48/94/1122824894.db2.gz IMHIWFKQIKGBAJ-DZZUKKPASA-N 1 1 257.377 3.749 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000426577952 1122825898 /nfs/dbraw/zinc/82/58/98/1122825898.db2.gz FUVQWLOUKBFUJA-CYBMUJFWSA-N 1 1 258.340 3.848 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000426577953 1122827600 /nfs/dbraw/zinc/82/76/00/1122827600.db2.gz FUVQWLOUKBFUJA-ZDUSSCGKSA-N 1 1 258.340 3.848 20 30 CHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001195394233 1122868467 /nfs/dbraw/zinc/86/84/67/1122868467.db2.gz XFKKWIGUBFYIJT-HNNXBMFYSA-N 1 1 281.440 3.929 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001195463161 1122870082 /nfs/dbraw/zinc/87/00/82/1122870082.db2.gz HYVROWHUYPSADJ-CABCVRRESA-N 1 1 286.375 3.700 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC001195462541 1122870594 /nfs/dbraw/zinc/87/05/94/1122870594.db2.gz BOSHGBMLNRPEEX-WMLDXEAASA-N 1 1 291.822 3.763 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC001195946066 1122900373 /nfs/dbraw/zinc/90/03/73/1122900373.db2.gz GALHWQJRNDTKNA-NVXWUHKLSA-N 1 1 259.393 3.662 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163556738 1122906478 /nfs/dbraw/zinc/90/64/78/1122906478.db2.gz IOMRNCNYXNAPGC-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001196441195 1122920603 /nfs/dbraw/zinc/92/06/03/1122920603.db2.gz KGAJULYAVIMBAX-ZDUSSCGKSA-N 1 1 292.810 3.567 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC001196440766 1122920833 /nfs/dbraw/zinc/92/08/33/1122920833.db2.gz HHTPYRVJTXTXIC-NSHDSACASA-N 1 1 298.199 3.986 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440484018 1122923211 /nfs/dbraw/zinc/92/32/11/1122923211.db2.gz TWRJSQLAAFHZCR-UHFFFAOYSA-N 1 1 261.413 3.778 20 30 CHEDMO C[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000775731842 1122928186 /nfs/dbraw/zinc/92/81/86/1122928186.db2.gz IPHDRWDHRDLEQI-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO CC[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426995503 1122931037 /nfs/dbraw/zinc/93/10/37/1122931037.db2.gz QUTKDQWQUASOGA-OAHLLOKOSA-N 1 1 281.321 3.931 20 30 CHEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000507251443 1122942965 /nfs/dbraw/zinc/94/29/65/1122942965.db2.gz HNLQBYXCFCIUCJ-OAHLLOKOSA-N 1 1 274.408 3.845 20 30 CHEDMO Cc1nocc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507420799 1122954128 /nfs/dbraw/zinc/95/41/28/1122954128.db2.gz BPSRUUKCWNNSBI-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO CCCC1(CCC)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC001197513683 1122957615 /nfs/dbraw/zinc/95/76/15/1122957615.db2.gz AVDRSSOULXBWEO-UHFFFAOYSA-N 1 1 271.408 3.888 20 30 CHEDMO C#CC[N@H+](CCSCC)[C@H]1CCCc2ccccc21 ZINC001198103218 1122981867 /nfs/dbraw/zinc/98/18/67/1122981867.db2.gz FWSITLDACDYBGD-KRWDZBQOSA-N 1 1 273.445 3.752 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000507673208 1122983971 /nfs/dbraw/zinc/98/39/71/1122983971.db2.gz NNAFHCLCLQYBLJ-KRWDZBQOSA-N 1 1 294.373 3.762 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(N(C)C)cc1 ZINC000775833178 1122985120 /nfs/dbraw/zinc/98/51/20/1122985120.db2.gz HINMTTKECQFHGH-ZDUSSCGKSA-N 1 1 297.377 3.614 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@@H+]2CC=C(c3c(F)cccc3F)CC2)C1 ZINC000334320319 1122986451 /nfs/dbraw/zinc/98/64/51/1122986451.db2.gz ZOEWQNZOBDZJLC-JSGCOSHPSA-N 1 1 288.341 3.746 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@H+]2CC=C(c3c(F)cccc3F)CC2)C1 ZINC000334320319 1122986455 /nfs/dbraw/zinc/98/64/55/1122986455.db2.gz ZOEWQNZOBDZJLC-JSGCOSHPSA-N 1 1 288.341 3.746 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1CCN(C)Cc1ccccc1 ZINC001198414123 1122990495 /nfs/dbraw/zinc/99/04/95/1122990495.db2.gz CCCQSJABULLJEE-GOSISDBHSA-N 1 1 272.436 3.549 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1CCN(C)c1ccccc1 ZINC001198407355 1122990690 /nfs/dbraw/zinc/99/06/90/1122990690.db2.gz VJPBZJXITAQJJP-KRWDZBQOSA-N 1 1 258.409 3.553 20 30 CHEDMO C=CCCC[N@H+](CC)CCc1c(F)cccc1F ZINC001198457770 1122992687 /nfs/dbraw/zinc/99/26/87/1122992687.db2.gz KCSRPGFZLSDLHW-UHFFFAOYSA-N 1 1 253.336 3.795 20 30 CHEDMO CCc1ccc2c(c1)C[N@H+](CCC(C)(C)C#N)CC2 ZINC001198851839 1123013072 /nfs/dbraw/zinc/01/30/72/1123013072.db2.gz LFQPZCBTDCZRHE-UHFFFAOYSA-N 1 1 256.393 3.547 20 30 CHEDMO CCCCCCCCC[N@@H+]1CCn2c(C)nnc2[C@H]1C ZINC001198872547 1123014422 /nfs/dbraw/zinc/01/44/22/1123014422.db2.gz ONDRABFMLNSDJA-CQSZACIVSA-N 1 1 278.444 3.714 20 30 CHEDMO CCCCCCCCC[N@H+]1CCn2c(C)nnc2[C@H]1C ZINC001198872547 1123014426 /nfs/dbraw/zinc/01/44/26/1123014426.db2.gz ONDRABFMLNSDJA-CQSZACIVSA-N 1 1 278.444 3.714 20 30 CHEDMO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)Cc2ccccc2)C1 ZINC001199037644 1123018840 /nfs/dbraw/zinc/01/88/40/1123018840.db2.gz BOMZCCXHOOSWKF-IEBWSBKVSA-N 1 1 286.463 3.843 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000121524653 1123029235 /nfs/dbraw/zinc/02/92/35/1123029235.db2.gz NFBKEYZFPJZLCS-UHFFFAOYSA-N 1 1 291.338 3.925 20 30 CHEDMO C[C@H](c1ccccn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334477918 1123040569 /nfs/dbraw/zinc/04/05/69/1123040569.db2.gz PVTMYVVNLGXMGC-OAHLLOKOSA-N 1 1 289.382 3.804 20 30 CHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001201423841 1123099138 /nfs/dbraw/zinc/09/91/38/1123099138.db2.gz UXEIXQJWKAGPSV-AEFFLSMTSA-N 1 1 296.414 3.758 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(F)cc1C#N ZINC000441464300 1123136592 /nfs/dbraw/zinc/13/65/92/1123136592.db2.gz AJNJTLAMNPDRFR-PBFPGSCMSA-N 1 1 272.367 3.850 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(OCCC)c1)C1CC1 ZINC000350269769 1123143867 /nfs/dbraw/zinc/14/38/67/1123143867.db2.gz RVIRZRKAWVJOBC-UHFFFAOYSA-N 1 1 275.392 3.634 20 30 CHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCCCCC)CC2 ZINC001201750026 1123144977 /nfs/dbraw/zinc/14/49/77/1123144977.db2.gz DWJMKUUFBZNVLZ-GOSISDBHSA-N 1 1 292.467 3.600 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000520483501 1123149780 /nfs/dbraw/zinc/14/97/80/1123149780.db2.gz SJQPYVSYCKRGHA-HNNXBMFYSA-N 1 1 283.400 3.524 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000520483501 1123149781 /nfs/dbraw/zinc/14/97/81/1123149781.db2.gz SJQPYVSYCKRGHA-HNNXBMFYSA-N 1 1 283.400 3.524 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001201797643 1123150194 /nfs/dbraw/zinc/15/01/94/1123150194.db2.gz BETRYMAJFWDULQ-INIZCTEOSA-N 1 1 262.397 3.505 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001201798336 1123150198 /nfs/dbraw/zinc/15/01/98/1123150198.db2.gz VUNRKTNCLGOPQX-AWEZNQCLSA-N 1 1 279.428 3.782 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001201804513 1123150484 /nfs/dbraw/zinc/15/04/84/1123150484.db2.gz NCGJWIYVIJJAFA-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001201798054 1123150534 /nfs/dbraw/zinc/15/05/34/1123150534.db2.gz NBANWPVOZYWJBW-UHFFFAOYSA-N 1 1 282.472 3.537 20 30 CHEDMO CCCCCCCCCC[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001201852748 1123152023 /nfs/dbraw/zinc/15/20/23/1123152023.db2.gz JLULHHNMTNUBDM-HZPDHXFCSA-N 1 1 273.436 3.779 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001201852860 1123152198 /nfs/dbraw/zinc/15/21/98/1123152198.db2.gz PASIDOIXECORKS-SFHVURJKSA-N 1 1 294.483 3.729 20 30 CHEDMO CCCCCCCCN1CCC([N@@H+](C)C2CC2)CC1 ZINC001201839483 1123154118 /nfs/dbraw/zinc/15/41/18/1123154118.db2.gz FKEJNKPWOCXCNM-UHFFFAOYSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001201839305 1123154253 /nfs/dbraw/zinc/15/42/53/1123154253.db2.gz KPNNKPCNTYVRHT-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCC[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001201839769 1123154848 /nfs/dbraw/zinc/15/48/48/1123154848.db2.gz IYBFQZAUYULDRD-UHFFFAOYSA-N 1 1 296.499 3.927 20 30 CHEDMO CCCCCCCC[N@@H+](CC)CCn1cccn1 ZINC001201840461 1123155186 /nfs/dbraw/zinc/15/51/86/1123155186.db2.gz WYWWKJVYRBMSRP-UHFFFAOYSA-N 1 1 251.418 3.566 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2nn(C)cc2C1 ZINC001201847645 1123155825 /nfs/dbraw/zinc/15/58/25/1123155825.db2.gz XXOQVUZBXPTZIA-UHFFFAOYSA-N 1 1 263.429 3.529 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001201874765 1123156720 /nfs/dbraw/zinc/15/67/20/1123156720.db2.gz FOLQLEBKUPMXFJ-QGZVFWFLSA-N 1 1 296.455 3.702 20 30 CHEDMO Cc1cc(F)cc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001143586081 1123162947 /nfs/dbraw/zinc/16/29/47/1123162947.db2.gz KJAIVFQLKNCBQO-UHFFFAOYSA-N 1 1 260.356 3.792 20 30 CHEDMO Cc1cc(F)cc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001143586081 1123162948 /nfs/dbraw/zinc/16/29/48/1123162948.db2.gz KJAIVFQLKNCBQO-UHFFFAOYSA-N 1 1 260.356 3.792 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507791199 1123195771 /nfs/dbraw/zinc/19/57/71/1123195771.db2.gz BTFOHUMHKXMQFK-MSOLQXFVSA-N 1 1 273.420 3.880 20 30 CHEDMO N#CC1(c2ccc(CNc3ccc4[nH]c[nH+]c4c3)cc2)CC1 ZINC001202350208 1123197825 /nfs/dbraw/zinc/19/78/25/1123197825.db2.gz VFCRZLWEMIBRIQ-UHFFFAOYSA-N 1 1 288.354 3.730 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCO[C@H](CC)C1 ZINC000507804480 1123212209 /nfs/dbraw/zinc/21/22/09/1123212209.db2.gz NKIZKHWZGNTPPG-DLBZAZTESA-N 1 1 280.456 3.843 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000343446425 1123242091 /nfs/dbraw/zinc/24/20/91/1123242091.db2.gz RQDCTRFOIOXWCN-UHFFFAOYSA-N 1 1 283.419 3.556 20 30 CHEDMO CCC1(CC)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428228649 1123280442 /nfs/dbraw/zinc/28/04/42/1123280442.db2.gz MPJRQEFRQDQFJN-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000428231844 1123285856 /nfs/dbraw/zinc/28/58/56/1123285856.db2.gz XBYBAZBOXOZPHD-AWEZNQCLSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000428231844 1123285859 /nfs/dbraw/zinc/28/58/59/1123285859.db2.gz XBYBAZBOXOZPHD-AWEZNQCLSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000428236993 1123287614 /nfs/dbraw/zinc/28/76/14/1123287614.db2.gz LNHDVOSCJLFLLY-CVEARBPZSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000428236993 1123287616 /nfs/dbraw/zinc/28/76/16/1123287616.db2.gz LNHDVOSCJLFLLY-CVEARBPZSA-N 1 1 290.407 3.557 20 30 CHEDMO CO[C@H](C)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000487413129 1123294877 /nfs/dbraw/zinc/29/48/77/1123294877.db2.gz KNENFWOWRVFCAU-OAHLLOKOSA-N 1 1 288.435 3.733 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000442674656 1123332860 /nfs/dbraw/zinc/33/28/60/1123332860.db2.gz WVJLCAKBFLDOFM-CYBMUJFWSA-N 1 1 291.354 3.892 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000442674656 1123332863 /nfs/dbraw/zinc/33/28/63/1123332863.db2.gz WVJLCAKBFLDOFM-CYBMUJFWSA-N 1 1 291.354 3.892 20 30 CHEDMO COc1cc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)ccc1C#N ZINC000442808523 1123340745 /nfs/dbraw/zinc/34/07/45/1123340745.db2.gz HQRBUASTURGOIT-ZDUSSCGKSA-N 1 1 272.392 3.576 20 30 CHEDMO COc1cc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1C#N ZINC000442838464 1123342878 /nfs/dbraw/zinc/34/28/78/1123342878.db2.gz SQRYQAZNCCCTMS-IAOVAPTHSA-N 1 1 284.403 3.577 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)ccc1C#N ZINC000442882773 1123346350 /nfs/dbraw/zinc/34/63/50/1123346350.db2.gz SLIYJAYDHKSHOA-LJQANCHMSA-N 1 1 296.414 3.889 20 30 CHEDMO Cc1cccc2c1cc[nH+]c2N1CCC(CC#N)CC1 ZINC000335483461 1123376852 /nfs/dbraw/zinc/37/68/52/1123376852.db2.gz GQORBRJIUPEAJY-UHFFFAOYSA-N 1 1 265.360 3.673 20 30 CHEDMO Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C#N)cc2c1C ZINC000335693643 1123396213 /nfs/dbraw/zinc/39/62/13/1123396213.db2.gz KSDPGBGOOYIGJX-BBRMVZONSA-N 1 1 267.376 3.567 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2C)o1 ZINC000852101910 1123396802 /nfs/dbraw/zinc/39/68/02/1123396802.db2.gz IIASFLVMSPFJBM-KRWDZBQOSA-N 1 1 268.360 3.542 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000852101725 1123396856 /nfs/dbraw/zinc/39/68/56/1123396856.db2.gz HQBXITJSCAWEPK-KRWDZBQOSA-N 1 1 268.360 3.542 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccc(C)o2)n1 ZINC000852099584 1123396935 /nfs/dbraw/zinc/39/69/35/1123396935.db2.gz NFKZMPOQZXCHTJ-OAHLLOKOSA-N 1 1 274.389 3.603 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000852098941 1123397242 /nfs/dbraw/zinc/39/72/42/1123397242.db2.gz ZRWBLVLZSQTVLO-MRXNPFEDSA-N 1 1 288.778 3.887 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000852102456 1123397251 /nfs/dbraw/zinc/39/72/51/1123397251.db2.gz YRUCOGGZFNYGNB-MRXNPFEDSA-N 1 1 290.313 3.511 20 30 CHEDMO CCCCCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328797 1123403137 /nfs/dbraw/zinc/40/31/37/1123403137.db2.gz NBUVZDWOFPSHKG-GOSISDBHSA-N 1 1 285.435 3.909 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328797 1123403139 /nfs/dbraw/zinc/40/31/39/1123403139.db2.gz NBUVZDWOFPSHKG-GOSISDBHSA-N 1 1 285.435 3.909 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000852331660 1123403143 /nfs/dbraw/zinc/40/31/43/1123403143.db2.gz BPNMNPWTUWKKHJ-PKOBYXMFSA-N 1 1 295.430 3.828 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000852331660 1123403144 /nfs/dbraw/zinc/40/31/44/1123403144.db2.gz BPNMNPWTUWKKHJ-PKOBYXMFSA-N 1 1 295.430 3.828 20 30 CHEDMO CC(C)(CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CC1 ZINC000852332681 1123403164 /nfs/dbraw/zinc/40/31/64/1123403164.db2.gz UNSBUBHFFPBIIQ-IBGZPJMESA-N 1 1 297.446 3.765 20 30 CHEDMO CC1CCC(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)CC1 ZINC000852333043 1123403356 /nfs/dbraw/zinc/40/33/56/1123403356.db2.gz YBRSVVREBIICMI-FAFZWHIHSA-N 1 1 297.446 3.765 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000852326292 1123403621 /nfs/dbraw/zinc/40/36/21/1123403621.db2.gz MLOYWCSLQTYVKF-GOSISDBHSA-N 1 1 283.419 3.519 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000852412060 1123404262 /nfs/dbraw/zinc/40/42/62/1123404262.db2.gz YPUDQEFYOAOABD-NSHDSACASA-N 1 1 268.763 3.662 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000852412060 1123404265 /nfs/dbraw/zinc/40/42/65/1123404265.db2.gz YPUDQEFYOAOABD-NSHDSACASA-N 1 1 268.763 3.662 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852412007 1123404829 /nfs/dbraw/zinc/40/48/29/1123404829.db2.gz YERJGQAEIHLVFK-AWEZNQCLSA-N 1 1 257.377 3.505 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C)c2ccccc2n1 ZINC000852685127 1123411891 /nfs/dbraw/zinc/41/18/91/1123411891.db2.gz BTBHLDCLWLBGHB-GASCZTMLSA-N 1 1 279.387 3.621 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CC1(C)C ZINC000544784562 1123428405 /nfs/dbraw/zinc/42/84/05/1123428405.db2.gz CSKOFNMVAYNVLL-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc2ccncc21 ZINC000853598180 1123443806 /nfs/dbraw/zinc/44/38/06/1123443806.db2.gz NISYWEIDEGZXOA-GASCZTMLSA-N 1 1 280.371 3.623 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853599285 1123444044 /nfs/dbraw/zinc/44/40/44/1123444044.db2.gz NHVXRNQKVPOVTC-GOSISDBHSA-N 1 1 286.419 3.734 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895390703 1123474232 /nfs/dbraw/zinc/47/42/32/1123474232.db2.gz PPMVCWRGVDYSIH-LLVKDONJSA-N 1 1 290.819 3.795 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C#N)c(F)c1 ZINC000776746990 1123488062 /nfs/dbraw/zinc/48/80/62/1123488062.db2.gz VZNYJTHAKHEUIY-NSHDSACASA-N 1 1 297.308 3.559 20 30 CHEDMO C#CCCCCCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000895821702 1123517679 /nfs/dbraw/zinc/51/76/79/1123517679.db2.gz HYNHLUSPTHZRKS-UHFFFAOYSA-N 1 1 276.468 3.520 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001141854698 1123529805 /nfs/dbraw/zinc/52/98/05/1123529805.db2.gz MOYZXOBYLRHASA-LBPRGKRZSA-N 1 1 272.323 3.698 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000034629984 1123602788 /nfs/dbraw/zinc/60/27/88/1123602788.db2.gz YFRZNYAFPNSLGF-MSOLQXFVSA-N 1 1 253.389 3.693 20 30 CHEDMO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000185772903 1123611554 /nfs/dbraw/zinc/61/15/54/1123611554.db2.gz UATVPZJNTFBYPL-JQHSSLGASA-N 1 1 291.483 3.559 20 30 CHEDMO CCC(CC)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185772903 1123611556 /nfs/dbraw/zinc/61/15/56/1123611556.db2.gz UATVPZJNTFBYPL-JQHSSLGASA-N 1 1 291.483 3.559 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CC[C@@H](C#N)C1 ZINC000335903361 1123650287 /nfs/dbraw/zinc/65/02/87/1123650287.db2.gz MWGMZTSYPSRMDX-ZJUUUORDSA-N 1 1 299.237 3.635 20 30 CHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000329876828 1123656700 /nfs/dbraw/zinc/65/67/00/1123656700.db2.gz IKNVUIIHWLBOSB-BETUJISGSA-N 1 1 298.390 3.538 20 30 CHEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000859444325 1123698264 /nfs/dbraw/zinc/69/82/64/1123698264.db2.gz KDKCVQOIXBNRHL-SWLSCSKDSA-N 1 1 299.336 3.637 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000346960780 1123734943 /nfs/dbraw/zinc/73/49/43/1123734943.db2.gz LVXMXDFOCHZCKE-UHFFFAOYSA-N 1 1 283.419 3.887 20 30 CHEDMO C=CCCC[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195173604 1129142050 /nfs/dbraw/zinc/14/20/50/1129142050.db2.gz UPTUMEPSJYJUBX-KRWDZBQOSA-N 1 1 296.455 3.532 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000862440165 1123809664 /nfs/dbraw/zinc/80/96/64/1123809664.db2.gz FMLJOBIHVZKLBW-LLVKDONJSA-N 1 1 296.208 3.553 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000862440165 1123809671 /nfs/dbraw/zinc/80/96/71/1123809671.db2.gz FMLJOBIHVZKLBW-LLVKDONJSA-N 1 1 296.208 3.553 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000862445231 1123811519 /nfs/dbraw/zinc/81/15/19/1123811519.db2.gz ORISUOYRKRMLAP-ZDUSSCGKSA-N 1 1 274.433 3.646 20 30 CHEDMO CCCCCCCCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862792171 1123829769 /nfs/dbraw/zinc/82/97/69/1123829769.db2.gz OPIHYTUNLXJTQC-MRXNPFEDSA-N 1 1 282.472 3.585 20 30 CHEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCCC(C)(C)C#N ZINC000403905525 1123836524 /nfs/dbraw/zinc/83/65/24/1123836524.db2.gz WSXWGOKXAUPHOX-CABCVRRESA-N 1 1 266.429 3.596 20 30 CHEDMO C[N@H+]1CCC(N=Nc2nc3ccccc3s2)CC1(C)C ZINC000863063997 1123841322 /nfs/dbraw/zinc/84/13/22/1123841322.db2.gz AMRQAMPSRDPMMQ-UHFFFAOYSA-N 1 1 288.420 3.568 20 30 CHEDMO CCCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119327382 1123851760 /nfs/dbraw/zinc/85/17/60/1123851760.db2.gz JJOBZWTVBJPFPM-IRXDYDNUSA-N 1 1 294.483 3.680 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396369620 1123856165 /nfs/dbraw/zinc/85/61/65/1123856165.db2.gz BTAQVKLWDYASQN-KRWDZBQOSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000396369620 1123856170 /nfs/dbraw/zinc/85/61/70/1123856170.db2.gz BTAQVKLWDYASQN-KRWDZBQOSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000396369620 1123856176 /nfs/dbraw/zinc/85/61/76/1123856176.db2.gz BTAQVKLWDYASQN-KRWDZBQOSA-N 1 1 299.462 3.523 20 30 CHEDMO C#CC[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000119502120 1123873943 /nfs/dbraw/zinc/87/39/43/1123873943.db2.gz PQVDMLNTLMUQJF-ZDUSSCGKSA-N 1 1 270.401 3.745 20 30 CHEDMO C=CC[N@@H+](C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168065672 1123875521 /nfs/dbraw/zinc/87/55/21/1123875521.db2.gz XKZWKBKPQHFPND-HOTGVXAUSA-N 1 1 272.436 3.546 20 30 CHEDMO C=CC[N@H+](C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168065672 1123875525 /nfs/dbraw/zinc/87/55/25/1123875525.db2.gz XKZWKBKPQHFPND-HOTGVXAUSA-N 1 1 272.436 3.546 20 30 CHEDMO C=CCN(C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065672 1123875530 /nfs/dbraw/zinc/87/55/30/1123875530.db2.gz XKZWKBKPQHFPND-HOTGVXAUSA-N 1 1 272.436 3.546 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CCSc1ccccc1 ZINC000084439297 1129152492 /nfs/dbraw/zinc/15/24/92/1129152492.db2.gz IHWRZGQQOMOBGU-UHFFFAOYSA-N 1 1 262.422 3.650 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCSc1ccccc1 ZINC000084439297 1129152494 /nfs/dbraw/zinc/15/24/94/1129152494.db2.gz IHWRZGQQOMOBGU-UHFFFAOYSA-N 1 1 262.422 3.650 20 30 CHEDMO C=CCC[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000301770668 1123931650 /nfs/dbraw/zinc/93/16/50/1123931650.db2.gz JBLYARZEEWLOCO-OAHLLOKOSA-N 1 1 282.391 3.662 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cnc(CC(C)C)s1 ZINC000159015118 1129156671 /nfs/dbraw/zinc/15/66/71/1129156671.db2.gz UJDWERZFLFJDDI-UHFFFAOYSA-N 1 1 252.427 3.740 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3C#N)C2)C1 ZINC000428353316 1123995900 /nfs/dbraw/zinc/99/59/00/1123995900.db2.gz UQQUASUMYOUKNE-DYVFJYSZSA-N 1 1 272.367 3.709 20 30 CHEDMO C#Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1 ZINC000865592852 1123997042 /nfs/dbraw/zinc/99/70/42/1123997042.db2.gz AFQFEFWENAAJHG-UHFFFAOYSA-N 1 1 284.428 3.712 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303751484 1124013159 /nfs/dbraw/zinc/01/31/59/1124013159.db2.gz FLRFTGIXZNPMJB-NSHDSACASA-N 1 1 258.192 3.955 20 30 CHEDMO CCCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192618581 1124042749 /nfs/dbraw/zinc/04/27/49/1124042749.db2.gz IDVCJJGPJBHHDG-ALOPSCKCSA-N 1 1 266.473 3.952 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1c(C)noc1C ZINC000866313334 1124050791 /nfs/dbraw/zinc/05/07/91/1124050791.db2.gz ZKWMRVFBWVSVKU-BMIGLBTASA-N 1 1 299.374 3.671 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000444697051 1124054455 /nfs/dbraw/zinc/05/44/55/1124054455.db2.gz PUASBSIZSFXNOM-CQSZACIVSA-N 1 1 282.309 3.527 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(CC#N)cc2)ccc1F ZINC000444739884 1124056795 /nfs/dbraw/zinc/05/67/95/1124056795.db2.gz AYWGALFUINGPKR-UHFFFAOYSA-N 1 1 282.362 3.832 20 30 CHEDMO C=CC[C@@H]1[N@H+](CC[C@@H]2CCCO2)CCCC1(C)C ZINC000444777657 1124064199 /nfs/dbraw/zinc/06/41/99/1124064199.db2.gz SXTQHORTHKLPKV-GJZGRUSLSA-N 1 1 251.414 3.622 20 30 CHEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000840969782 1124067501 /nfs/dbraw/zinc/06/75/01/1124067501.db2.gz LAIJLQYELISDPV-OAHLLOKOSA-N 1 1 285.435 3.657 20 30 CHEDMO C=CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000428380965 1124069006 /nfs/dbraw/zinc/06/90/06/1124069006.db2.gz NEIYAZAECKKZNB-UHFFFAOYSA-N 1 1 260.164 3.620 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000428380965 1124069010 /nfs/dbraw/zinc/06/90/10/1124069010.db2.gz NEIYAZAECKKZNB-UHFFFAOYSA-N 1 1 260.164 3.620 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445815931 1124103374 /nfs/dbraw/zinc/10/33/74/1124103374.db2.gz QMPKMWXAVCDFOL-QGZVFWFLSA-N 1 1 297.789 3.848 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000428425788 1124107077 /nfs/dbraw/zinc/10/70/77/1124107077.db2.gz VSWNKAPYXCTGCE-OAHLLOKOSA-N 1 1 280.346 3.687 20 30 CHEDMO CC1(C)CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000446061131 1124108742 /nfs/dbraw/zinc/10/87/42/1124108742.db2.gz KQEYVOOTCWFUCI-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C=CCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000525123850 1124115694 /nfs/dbraw/zinc/11/56/94/1124115694.db2.gz DNZYRUKZZZMGHE-GJZGRUSLSA-N 1 1 251.414 3.622 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000428452765 1124119789 /nfs/dbraw/zinc/11/97/89/1124119789.db2.gz NAIUWPXWVDINCC-SJLPKXTDSA-N 1 1 284.403 3.744 20 30 CHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000525328543 1124122650 /nfs/dbraw/zinc/12/26/50/1124122650.db2.gz BCEAKTGXXQCGEK-NVXWUHKLSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ncc(COC)s2)CCCC1(C)C ZINC000446833315 1124124860 /nfs/dbraw/zinc/12/48/60/1124124860.db2.gz GKRVTLBNMZARHW-CQSZACIVSA-N 1 1 294.464 3.856 20 30 CHEDMO C[N@H+](Cc1cccc(F)c1C#N)CC1CCCCC1 ZINC000428456001 1124126995 /nfs/dbraw/zinc/12/69/95/1124126995.db2.gz KATWDHYRKROICM-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO CCS[C@@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000447044585 1124131283 /nfs/dbraw/zinc/13/12/83/1124131283.db2.gz MXHJGQSIHLBZNQ-QGZVFWFLSA-N 1 1 291.435 3.785 20 30 CHEDMO C=CC[N@@H+](Cc1oc(CC)nc1C)Cc1ccccc1 ZINC000428465062 1124131406 /nfs/dbraw/zinc/13/14/06/1124131406.db2.gz SFPKPHZFGHBIKI-UHFFFAOYSA-N 1 1 270.376 3.734 20 30 CHEDMO C=CC[N@H+](Cc1oc(CC)nc1C)Cc1ccccc1 ZINC000428465062 1124131408 /nfs/dbraw/zinc/13/14/08/1124131408.db2.gz SFPKPHZFGHBIKI-UHFFFAOYSA-N 1 1 270.376 3.734 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC1CCC1 ZINC000447046315 1124131421 /nfs/dbraw/zinc/13/14/21/1124131421.db2.gz ZECRGJFHNSFZSZ-UHFFFAOYSA-N 1 1 297.320 3.669 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000071956308 1129176213 /nfs/dbraw/zinc/17/62/13/1129176213.db2.gz IQCBDXGRGJYBPR-LJQANCHMSA-N 1 1 279.358 3.948 20 30 CHEDMO CCc1cc(C[N@@H+](C)CCc2ccc(F)cc2)ccc1C#N ZINC001238778224 1131244566 /nfs/dbraw/zinc/24/45/66/1131244566.db2.gz KYDZAGJYTZMMNK-UHFFFAOYSA-N 1 1 296.389 3.934 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(C#N)c(CC)c1 ZINC001238774226 1131244784 /nfs/dbraw/zinc/24/47/84/1131244784.db2.gz HULIMXFBWUWYOI-UHFFFAOYSA-N 1 1 269.392 3.636 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(C#N)c(CC)c1 ZINC001238774226 1131244790 /nfs/dbraw/zinc/24/47/90/1131244790.db2.gz HULIMXFBWUWYOI-UHFFFAOYSA-N 1 1 269.392 3.636 20 30 CHEDMO CCc1cc(C[N@H+]2CCCC[C@@H]2CCOC)ccc1C#N ZINC001238775130 1131245209 /nfs/dbraw/zinc/24/52/09/1131245209.db2.gz OJGCAWFHGPIUDF-GOSISDBHSA-N 1 1 286.419 3.512 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(OC(C)C)ncc1F ZINC001238799792 1131250073 /nfs/dbraw/zinc/25/00/73/1131250073.db2.gz QOHUGOYCJAIPRC-UHFFFAOYSA-N 1 1 280.387 3.796 20 30 CHEDMO COc1cc(C)[nH+]cc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238845862 1131255110 /nfs/dbraw/zinc/25/51/10/1131255110.db2.gz UAFDZSASXZNSMF-UHFFFAOYSA-N 1 1 292.260 3.956 20 30 CHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428476396 1124459294 /nfs/dbraw/zinc/45/92/94/1124459294.db2.gz DTCNZVRBAHXYKD-MLGOLLRUSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447349954 1124466521 /nfs/dbraw/zinc/46/65/21/1124466521.db2.gz YNFVJBPEHKHIQH-JTQLQIEISA-N 1 1 271.191 3.627 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000447349954 1124466523 /nfs/dbraw/zinc/46/65/23/1124466523.db2.gz YNFVJBPEHKHIQH-JTQLQIEISA-N 1 1 271.191 3.627 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000526001096 1124497567 /nfs/dbraw/zinc/49/75/67/1124497567.db2.gz DXQAOKSPFQDWJY-HNNXBMFYSA-N 1 1 298.336 3.826 20 30 CHEDMO CC[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447603309 1124498610 /nfs/dbraw/zinc/49/86/10/1124498610.db2.gz XMARCFXJNRXVDE-SFHVURJKSA-N 1 1 299.462 3.721 20 30 CHEDMO CC[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447603309 1124498614 /nfs/dbraw/zinc/49/86/14/1124498614.db2.gz XMARCFXJNRXVDE-SFHVURJKSA-N 1 1 299.462 3.721 20 30 CHEDMO C[N@@H+](CCCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000526114063 1124509258 /nfs/dbraw/zinc/50/92/58/1124509258.db2.gz WYUFNPBKACTYRS-UHFFFAOYSA-N 1 1 294.398 3.849 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000022761305 1124519265 /nfs/dbraw/zinc/51/92/65/1124519265.db2.gz BPWITEIRYGZXMF-GOSISDBHSA-N 1 1 262.356 3.678 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)CCc1cccs1 ZINC000123502871 1124599423 /nfs/dbraw/zinc/59/94/23/1124599423.db2.gz ODYMOFUVYPBWCM-UHFFFAOYSA-N 1 1 250.411 3.552 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccnc1C(F)(F)F ZINC000528480940 1124673246 /nfs/dbraw/zinc/67/32/46/1124673246.db2.gz MSGXQHZYAPBMSR-GFCCVEGCSA-N 1 1 270.298 3.641 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC000528480940 1124673249 /nfs/dbraw/zinc/67/32/49/1124673249.db2.gz MSGXQHZYAPBMSR-GFCCVEGCSA-N 1 1 270.298 3.641 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CC(C)(C)C1 ZINC000528509716 1124679970 /nfs/dbraw/zinc/67/99/70/1124679970.db2.gz VDAZSGODHMZBPK-UHFFFAOYSA-N 1 1 277.408 3.586 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=CCCC1CCCCC1 ZINC000872417874 1124713568 /nfs/dbraw/zinc/71/35/68/1124713568.db2.gz RUUACEVJJIPHJS-UHFFFAOYSA-N 1 1 298.481 3.916 20 30 CHEDMO CC(C)Oc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000873015575 1124734789 /nfs/dbraw/zinc/73/47/89/1124734789.db2.gz PMFQXUXRYDDPIT-UHFFFAOYSA-N 1 1 298.361 3.774 20 30 CHEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449434558 1124736793 /nfs/dbraw/zinc/73/67/93/1124736793.db2.gz RPJQDWVYFUVKQA-SFHVURJKSA-N 1 1 296.418 3.607 20 30 CHEDMO C=C(CC)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449734681 1124854009 /nfs/dbraw/zinc/85/40/09/1124854009.db2.gz NXRZJTDRHCFOGT-WBVHZDCISA-N 1 1 264.457 3.585 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000449733621 1124854022 /nfs/dbraw/zinc/85/40/22/1124854022.db2.gz PGWKYMXHWGZFNX-GOSISDBHSA-N 1 1 297.377 3.681 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1C ZINC000449762433 1124859635 /nfs/dbraw/zinc/85/96/35/1124859635.db2.gz IBPQQHWBIJHDHD-UHFFFAOYSA-N 1 1 270.401 3.869 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001137090185 1124891652 /nfs/dbraw/zinc/89/16/52/1124891652.db2.gz VQYYWENZNVEHIN-UHFFFAOYSA-N 1 1 289.382 3.818 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1F ZINC000403983026 1124915871 /nfs/dbraw/zinc/91/58/71/1124915871.db2.gz GNONVXCQYMBTMY-KRWDZBQOSA-N 1 1 272.367 3.852 20 30 CHEDMO C[N@@H+](CCSCC1(C#N)CCCC1)Cc1ccccc1 ZINC000821085073 1131319588 /nfs/dbraw/zinc/31/95/88/1131319588.db2.gz WAQYXOXFTXWBDE-UHFFFAOYSA-N 1 1 288.460 3.936 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)cc1 ZINC000450211151 1124945271 /nfs/dbraw/zinc/94/52/71/1124945271.db2.gz OJSHWYRBTSRNMQ-MRXNPFEDSA-N 1 1 254.377 3.826 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC000450340761 1124988278 /nfs/dbraw/zinc/98/82/78/1124988278.db2.gz XLCIVPXBMSPSKN-SNVBAGLBSA-N 1 1 271.191 3.627 20 30 CHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450270441 1124966173 /nfs/dbraw/zinc/96/61/73/1124966173.db2.gz RSWFARKJAGVLHK-MRXNPFEDSA-N 1 1 254.377 3.826 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876732867 1124973767 /nfs/dbraw/zinc/97/37/67/1124973767.db2.gz IBYCNIIDJBZMON-KYOSRNDESA-N 1 1 289.810 3.760 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1CCC(=O)CC1 ZINC000450315578 1124979313 /nfs/dbraw/zinc/97/93/13/1124979313.db2.gz XGDOILFMPUTENI-UHFFFAOYSA-N 1 1 298.430 3.776 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)CCc1c(Cl)cccc1Cl ZINC000450340761 1124988274 /nfs/dbraw/zinc/98/82/74/1124988274.db2.gz XLCIVPXBMSPSKN-SNVBAGLBSA-N 1 1 271.191 3.627 20 30 CHEDMO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877015385 1124998669 /nfs/dbraw/zinc/99/86/69/1124998669.db2.gz ODKKGFZOWLTNIF-INIZCTEOSA-N 1 1 297.789 3.692 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)C1 ZINC000877192923 1125018435 /nfs/dbraw/zinc/01/84/35/1125018435.db2.gz ULZRERIYRJPLHD-LRDDRELGSA-N 1 1 289.810 3.619 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137119553 1125023785 /nfs/dbraw/zinc/02/37/85/1125023785.db2.gz VMUZYAGXHVMJCZ-UHFFFAOYSA-N 1 1 274.408 3.991 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877427461 1125027079 /nfs/dbraw/zinc/02/70/79/1125027079.db2.gz ZSKWWSYRMRILNB-UHFFFAOYSA-N 1 1 276.380 3.651 20 30 CHEDMO CC(C)[C@@H]1[N@H+](Cc2cc(C#N)cnc2Cl)CC12CCC2 ZINC000877545564 1125042741 /nfs/dbraw/zinc/04/27/41/1125042741.db2.gz KNLREXABZIAUJU-AWEZNQCLSA-N 1 1 289.810 3.617 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)cnc2Cl)CC12CCC2 ZINC000877545564 1125042749 /nfs/dbraw/zinc/04/27/49/1125042749.db2.gz KNLREXABZIAUJU-AWEZNQCLSA-N 1 1 289.810 3.617 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000877594969 1125050570 /nfs/dbraw/zinc/05/05/70/1125050570.db2.gz OCFUOTGFVJLDTP-AWEZNQCLSA-N 1 1 289.810 3.619 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000877608482 1125052380 /nfs/dbraw/zinc/05/23/80/1125052380.db2.gz RGGZGLORTNEHID-HNNXBMFYSA-N 1 1 289.810 3.761 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCCC#N ZINC000121174199 1125053047 /nfs/dbraw/zinc/05/30/47/1125053047.db2.gz TZJBDSGPWYUOSK-LBPRGKRZSA-N 1 1 265.426 3.872 20 30 CHEDMO C[C@H](Cc1ccsc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704854 1125066815 /nfs/dbraw/zinc/06/68/15/1125066815.db2.gz WQWXEAUKSHOFJX-CQSZACIVSA-N 1 1 284.428 3.725 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000877769771 1125078800 /nfs/dbraw/zinc/07/88/00/1125078800.db2.gz OODZZNPHPQSQHT-CYBMUJFWSA-N 1 1 255.365 3.540 20 30 CHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H](C)CCC#N)C2)[nH]n1 ZINC000877784844 1125080929 /nfs/dbraw/zinc/08/09/29/1125080929.db2.gz VADWBOHTIBLWFW-HUUCEWRRSA-N 1 1 288.439 3.652 20 30 CHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H](C)CCC#N)C2)n[nH]1 ZINC000877784844 1125080938 /nfs/dbraw/zinc/08/09/38/1125080938.db2.gz VADWBOHTIBLWFW-HUUCEWRRSA-N 1 1 288.439 3.652 20 30 CHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H](C)CCC#N)C2)n[nH]1 ZINC000877784844 1125080945 /nfs/dbraw/zinc/08/09/45/1125080945.db2.gz VADWBOHTIBLWFW-HUUCEWRRSA-N 1 1 288.439 3.652 20 30 CHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000877813550 1125085547 /nfs/dbraw/zinc/08/55/47/1125085547.db2.gz IFOGPVOQVJTAQO-INIZCTEOSA-N 1 1 297.427 3.621 20 30 CHEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CCC1 ZINC000450757137 1125103841 /nfs/dbraw/zinc/10/38/41/1125103841.db2.gz KUEFDEFTYKWOPC-KRWDZBQOSA-N 1 1 268.404 3.777 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2coc3ccccc23)CC1 ZINC000121330546 1125108207 /nfs/dbraw/zinc/10/82/07/1125108207.db2.gz WSQIJZPCPBVTNZ-UHFFFAOYSA-N 1 1 284.403 3.563 20 30 CHEDMO C=CC[C@H](C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000878016012 1125113538 /nfs/dbraw/zinc/11/35/38/1125113538.db2.gz IAZFWGMHAGBIFH-LBPRGKRZSA-N 1 1 265.422 3.814 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878088575 1125118571 /nfs/dbraw/zinc/11/85/71/1125118571.db2.gz SNZFBPNMRUZIHF-JTDSTZFVSA-N 1 1 298.430 3.690 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CC(F)(F)C1 ZINC000450983249 1125126966 /nfs/dbraw/zinc/12/69/66/1125126966.db2.gz PGFUAFRJXCKBDT-UHFFFAOYSA-N 1 1 297.393 3.887 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000878209833 1125131026 /nfs/dbraw/zinc/13/10/26/1125131026.db2.gz KOXSIVCBSXNCCO-ZIAGYGMSSA-N 1 1 270.376 3.972 20 30 CHEDMO C=CCOc1ccc(CNc2cc(C)cc[nH+]2)cc1 ZINC000121507134 1125131402 /nfs/dbraw/zinc/13/14/02/1125131402.db2.gz SMNNDOAOBOEBMO-UHFFFAOYSA-N 1 1 254.333 3.567 20 30 CHEDMO C[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CCO1 ZINC001168126985 1125132741 /nfs/dbraw/zinc/13/27/41/1125132741.db2.gz CTIDIERMCLKNOK-DOTOQJQBSA-N 1 1 278.440 3.882 20 30 CHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878453960 1125155178 /nfs/dbraw/zinc/15/51/78/1125155178.db2.gz PXOJKAZZYBVTNV-LZQZEXGQSA-N 1 1 298.430 3.547 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878729434 1125177025 /nfs/dbraw/zinc/17/70/25/1125177025.db2.gz ZXKACOUHESWDRB-PBHICJAKSA-N 1 1 284.403 3.653 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878915204 1125186189 /nfs/dbraw/zinc/18/61/89/1125186189.db2.gz QJPQQJCOVXSYPP-JTQLQIEISA-N 1 1 256.802 3.585 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127482613 1125195598 /nfs/dbraw/zinc/19/55/98/1125195598.db2.gz ZDJOZFDCSPNHRK-RDTXWAMCSA-N 1 1 295.386 3.643 20 30 CHEDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CCCC#N ZINC000879452064 1125214127 /nfs/dbraw/zinc/21/41/27/1125214127.db2.gz LJHIQMKQNKJXHU-INIZCTEOSA-N 1 1 278.346 3.666 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1cccc(C#N)c1 ZINC000879432970 1125214307 /nfs/dbraw/zinc/21/43/07/1125214307.db2.gz MCPYCTVETSUISD-UHFFFAOYSA-N 1 1 283.419 3.753 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000879731205 1125227727 /nfs/dbraw/zinc/22/77/27/1125227727.db2.gz JQBBOEMGUVPDSO-CVEARBPZSA-N 1 1 286.419 3.957 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000879731206 1125227798 /nfs/dbraw/zinc/22/77/98/1125227798.db2.gz JQBBOEMGUVPDSO-HOTGVXAUSA-N 1 1 286.419 3.957 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000879747130 1125230336 /nfs/dbraw/zinc/23/03/36/1125230336.db2.gz BXXSEZYIPLCNBV-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC000880574925 1125280325 /nfs/dbraw/zinc/28/03/25/1125280325.db2.gz QRNHCWLHQNXJLZ-LJQANCHMSA-N 1 1 298.430 3.587 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399134468 1125339275 /nfs/dbraw/zinc/33/92/75/1125339275.db2.gz PTOXRJIBWUQTOA-CYBMUJFWSA-N 1 1 282.412 3.933 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001168188178 1125363332 /nfs/dbraw/zinc/36/33/32/1125363332.db2.gz IBHLQHDBFHNVJC-GXTWGEPZSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC001168188178 1125363334 /nfs/dbraw/zinc/36/33/34/1125363334.db2.gz IBHLQHDBFHNVJC-GXTWGEPZSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000131108369 1125373392 /nfs/dbraw/zinc/37/33/92/1125373392.db2.gz CRYURTNPVREITK-OAHLLOKOSA-N 1 1 297.402 3.822 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1O ZINC000131177979 1125375368 /nfs/dbraw/zinc/37/53/68/1125375368.db2.gz RAFYOJPORUMZSY-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO CC1CCC([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC001168196877 1125389624 /nfs/dbraw/zinc/38/96/24/1125389624.db2.gz VSCFOHOUSXATCZ-UHFFFAOYSA-N 1 1 295.242 3.988 20 30 CHEDMO C[N@H+](C/C=C\c1ccccc1)Cc1cc(C#N)ccc1F ZINC000532501520 1125407803 /nfs/dbraw/zinc/40/78/03/1125407803.db2.gz BSNHTFUQAXUAFU-YVMONPNESA-N 1 1 280.346 3.843 20 30 CHEDMO C[N@@H+](C/C=C\c1ccccc1)Cc1cc(C#N)ccc1F ZINC000532501520 1125407806 /nfs/dbraw/zinc/40/78/06/1125407806.db2.gz BSNHTFUQAXUAFU-YVMONPNESA-N 1 1 280.346 3.843 20 30 CHEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001253239902 1125418273 /nfs/dbraw/zinc/41/82/73/1125418273.db2.gz VPCAUAMREOHSOC-ZIAGYGMSSA-N 1 1 293.373 3.758 20 30 CHEDMO CC1CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001168219915 1125418725 /nfs/dbraw/zinc/41/87/25/1125418725.db2.gz QUSGRQRRNJSNGY-GXOAENINSA-N 1 1 298.430 3.980 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000119957189 1125426953 /nfs/dbraw/zinc/42/69/53/1125426953.db2.gz DTPPXVFEHJMHHM-IRXDYDNUSA-N 1 1 281.403 3.698 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000119957189 1125426959 /nfs/dbraw/zinc/42/69/59/1125426959.db2.gz DTPPXVFEHJMHHM-IRXDYDNUSA-N 1 1 281.403 3.698 20 30 CHEDMO CC[N@@H+](CCc1cscn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000284353779 1125435056 /nfs/dbraw/zinc/43/50/56/1125435056.db2.gz SHOKJAXUKKLGQU-ZDUSSCGKSA-N 1 1 285.416 3.640 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000105503475 1125436919 /nfs/dbraw/zinc/43/69/19/1125436919.db2.gz UPIOJTSLLSKCFZ-CQSZACIVSA-N 1 1 271.389 3.564 20 30 CHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000246128866 1129254339 /nfs/dbraw/zinc/25/43/39/1129254339.db2.gz ZIPGLEIVZWJKHQ-OALUTQOASA-N 1 1 298.430 3.636 20 30 CHEDMO C=CCOCCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000348031739 1129275463 /nfs/dbraw/zinc/27/54/63/1129275463.db2.gz KNKYTLAIDXHVID-UHFFFAOYSA-N 1 1 271.763 3.504 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000829773270 1129283889 /nfs/dbraw/zinc/28/38/89/1129283889.db2.gz BOHNHNXECQXGBJ-ZDUSSCGKSA-N 1 1 270.401 3.532 20 30 CHEDMO Cc1ncc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(C)n1 ZINC000090664981 1129320271 /nfs/dbraw/zinc/32/02/71/1129320271.db2.gz SOAZEACXFWOACR-KDOFPFPSSA-N 1 1 294.402 3.789 20 30 CHEDMO C=CCCC[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735491979 1129348768 /nfs/dbraw/zinc/34/87/68/1129348768.db2.gz MNXRWRQWNOZYNL-OAHLLOKOSA-N 1 1 296.455 3.674 20 30 CHEDMO C[N@@H+](CCCCC#N)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000719932147 1129354563 /nfs/dbraw/zinc/35/45/63/1129354563.db2.gz MXQIHSUGKFAKTI-IBGZPJMESA-N 1 1 299.462 3.667 20 30 CHEDMO CN(CCCCC#N)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719932147 1129354565 /nfs/dbraw/zinc/35/45/65/1129354565.db2.gz MXQIHSUGKFAKTI-IBGZPJMESA-N 1 1 299.462 3.667 20 30 CHEDMO CN(CCCCC#N)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719932147 1129354568 /nfs/dbraw/zinc/35/45/68/1129354568.db2.gz MXQIHSUGKFAKTI-IBGZPJMESA-N 1 1 299.462 3.667 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247273173 1129362552 /nfs/dbraw/zinc/36/25/52/1129362552.db2.gz FPDXIIQMCIPSMQ-IAGOWNOFSA-N 1 1 296.499 3.926 20 30 CHEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247301006 1129364671 /nfs/dbraw/zinc/36/46/71/1129364671.db2.gz GYHLBYYDWGRSNL-HZPDHXFCSA-N 1 1 282.472 3.536 20 30 CHEDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](C)C#N ZINC000091982517 1129376315 /nfs/dbraw/zinc/37/63/15/1129376315.db2.gz IPVYJCNFMKFILR-INIZCTEOSA-N 1 1 285.435 3.658 20 30 CHEDMO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](C)C#N ZINC000091982517 1129376317 /nfs/dbraw/zinc/37/63/17/1129376317.db2.gz IPVYJCNFMKFILR-INIZCTEOSA-N 1 1 285.435 3.658 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000092008922 1129377947 /nfs/dbraw/zinc/37/79/47/1129377947.db2.gz FNAIWMLWSFYSJY-AWEZNQCLSA-N 1 1 272.392 3.598 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@@H]2CCCC[C@@H]21 ZINC000248373840 1129414928 /nfs/dbraw/zinc/41/49/28/1129414928.db2.gz LUXVKGULQYXMPH-KCPJHIHWSA-N 1 1 260.406 3.630 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000740875219 1129421804 /nfs/dbraw/zinc/42/18/04/1129421804.db2.gz LRHZNYLAXQWRGP-HNNXBMFYSA-N 1 1 263.429 3.950 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000740875219 1129421806 /nfs/dbraw/zinc/42/18/06/1129421806.db2.gz LRHZNYLAXQWRGP-HNNXBMFYSA-N 1 1 263.429 3.950 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000740875219 1129421808 /nfs/dbraw/zinc/42/18/08/1129421808.db2.gz LRHZNYLAXQWRGP-HNNXBMFYSA-N 1 1 263.429 3.950 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000740877139 1129422075 /nfs/dbraw/zinc/42/20/75/1129422075.db2.gz CKLFPKCYSMVERH-QGZVFWFLSA-N 1 1 294.483 3.824 20 30 CHEDMO CCCCCCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000740875043 1129422093 /nfs/dbraw/zinc/42/20/93/1129422093.db2.gz ZZVUULAFPIWBPP-OAHLLOKOSA-N 1 1 253.430 3.848 20 30 CHEDMO N#CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000093563265 1129425210 /nfs/dbraw/zinc/42/52/10/1129425210.db2.gz INDAJIZOOJFJOA-RDJZCZTQSA-N 1 1 254.377 3.558 20 30 CHEDMO N#CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000093563265 1129425212 /nfs/dbraw/zinc/42/52/12/1129425212.db2.gz INDAJIZOOJFJOA-RDJZCZTQSA-N 1 1 254.377 3.558 20 30 CHEDMO CC#CC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000741783208 1129452749 /nfs/dbraw/zinc/45/27/49/1129452749.db2.gz QXIXVOMSDHAYTC-AWEZNQCLSA-N 1 1 267.294 3.866 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000741795027 1129454038 /nfs/dbraw/zinc/45/40/38/1129454038.db2.gz WRYZBXVRLPRROH-GJZGRUSLSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000742383597 1129473038 /nfs/dbraw/zinc/47/30/38/1129473038.db2.gz RABDZJNRLQODKY-XHDPSFHLSA-N 1 1 284.334 3.704 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000302996394 1129516385 /nfs/dbraw/zinc/51/63/85/1129516385.db2.gz HNGBLDDHIZFNJS-UHFFFAOYSA-N 1 1 267.347 3.770 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096668 1129522005 /nfs/dbraw/zinc/52/20/05/1129522005.db2.gz RKVDLZXBGNUCPW-HUUCEWRRSA-N 1 1 251.414 3.622 20 30 CHEDMO N#Cc1ccccc1OCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000303193092 1129531505 /nfs/dbraw/zinc/53/15/05/1129531505.db2.gz MRQMGEDBGUBKAG-UHFFFAOYSA-N 1 1 298.430 3.982 20 30 CHEDMO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC001258719713 1129547324 /nfs/dbraw/zinc/54/73/24/1129547324.db2.gz JPDNITPVQVWLBV-IHRRRGAJSA-N 1 1 269.429 3.687 20 30 CHEDMO C=C(C)CNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001155660840 1129583022 /nfs/dbraw/zinc/58/30/22/1129583022.db2.gz ONUKPZLCHFOILE-UHFFFAOYSA-N 1 1 256.353 3.534 20 30 CHEDMO Cc1ccc(C2=CC[N@@H+](CCCSCC#N)CC2)cc1 ZINC000745942428 1129618885 /nfs/dbraw/zinc/61/88/85/1129618885.db2.gz JLLHDUIBIUIXKT-UHFFFAOYSA-N 1 1 286.444 3.731 20 30 CHEDMO CCCCCCCCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000745997884 1129621903 /nfs/dbraw/zinc/62/19/03/1129621903.db2.gz YQCXYPFWMFOZNM-QGZVFWFLSA-N 1 1 296.499 3.974 20 30 CHEDMO C=CCC[C@H](C)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001258732806 1129623988 /nfs/dbraw/zinc/62/39/88/1129623988.db2.gz QKTYZHZPQMFNRF-IRXDYDNUSA-N 1 1 272.436 3.547 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1C(F)(F)F)C(C)C ZINC000746148113 1129627717 /nfs/dbraw/zinc/62/77/17/1129627717.db2.gz SNJCRUSATDWWFA-UHFFFAOYSA-N 1 1 255.283 3.549 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001459357692 1129629587 /nfs/dbraw/zinc/62/95/87/1129629587.db2.gz SLSNDRLPIQVIDM-HNNXBMFYSA-N 1 1 261.796 3.956 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2ccc(O)cc2C#N)cc1 ZINC001212970638 1129643809 /nfs/dbraw/zinc/64/38/09/1129643809.db2.gz AAGUWDWAGXCGNE-UHFFFAOYSA-N 1 1 281.359 3.854 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001168967804 1129687623 /nfs/dbraw/zinc/68/76/23/1129687623.db2.gz BGOUSEKGCMSGNJ-GOSISDBHSA-N 1 1 287.447 3.877 20 30 CHEDMO CC(C)c1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822650044 1131391638 /nfs/dbraw/zinc/39/16/38/1131391638.db2.gz NDYIBYQARREFBP-AWEZNQCLSA-N 1 1 284.363 3.554 20 30 CHEDMO C=C[C@@H](O)C[N@H+](C(CC)CC)[C@H](C)c1ccccc1 ZINC001253587786 1129728115 /nfs/dbraw/zinc/72/81/15/1129728115.db2.gz OTJAIYDLJZUUQW-RHSMWYFYSA-N 1 1 261.409 3.785 20 30 CHEDMO CC(C)CC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000828639568 1131394931 /nfs/dbraw/zinc/39/49/31/1131394931.db2.gz IMPZFMUAOZSNII-AWEZNQCLSA-N 1 1 272.392 3.556 20 30 CHEDMO Cc1cc(O)c(C[N@@H+](CCC#N)CC2CC2)cc1C(C)C ZINC000103459677 1129763316 /nfs/dbraw/zinc/76/33/16/1129763316.db2.gz UABWNQMDMFLVCD-UHFFFAOYSA-N 1 1 286.419 3.950 20 30 CHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC001169933174 1129765697 /nfs/dbraw/zinc/76/56/97/1129765697.db2.gz JUUZOWSTUFECBV-HNNXBMFYSA-N 1 1 286.419 3.838 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169948678 1129766385 /nfs/dbraw/zinc/76/63/85/1129766385.db2.gz JXYNSJRJUSOYSO-OAHLLOKOSA-N 1 1 269.429 3.574 20 30 CHEDMO C#CCCC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000766896276 1129768879 /nfs/dbraw/zinc/76/88/79/1129768879.db2.gz QVSLDAAEEXOKGC-UHFFFAOYSA-N 1 1 282.387 3.619 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000766896350 1129769195 /nfs/dbraw/zinc/76/91/95/1129769195.db2.gz RTSLOMIYKIPELA-OAHLLOKOSA-N 1 1 261.796 3.760 20 30 CHEDMO C#CCCC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000766902387 1129769881 /nfs/dbraw/zinc/76/98/81/1129769881.db2.gz HXPAIZRZGLHBKF-ROUUACIJSA-N 1 1 255.405 3.976 20 30 CHEDMO C#CCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000766906633 1129770389 /nfs/dbraw/zinc/77/03/89/1129770389.db2.gz SRVLFIUKEWLXBR-MOPGFXCFSA-N 1 1 285.431 3.768 20 30 CHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000766905947 1129770721 /nfs/dbraw/zinc/77/07/21/1129770721.db2.gz NWHQHDOJGMUJPC-QGZVFWFLSA-N 1 1 299.439 3.697 20 30 CHEDMO C#CCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000766905249 1129770756 /nfs/dbraw/zinc/77/07/56/1129770756.db2.gz IORSSYZEKHHWSU-CQSZACIVSA-N 1 1 288.460 3.615 20 30 CHEDMO C=CCCn1cc(C[N@H+](CCC(C)C)C2CCCC2)nn1 ZINC000653521121 1129782860 /nfs/dbraw/zinc/78/28/60/1129782860.db2.gz OXBWMMUZJIDICF-UHFFFAOYSA-N 1 1 290.455 3.645 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cc2ccccc2o1 ZINC000767898071 1129819934 /nfs/dbraw/zinc/81/99/34/1129819934.db2.gz DAUJQVUSRXQUCO-UHFFFAOYSA-N 1 1 256.349 3.804 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2ccccc2o1 ZINC000767898071 1129819940 /nfs/dbraw/zinc/81/99/40/1129819940.db2.gz DAUJQVUSRXQUCO-UHFFFAOYSA-N 1 1 256.349 3.804 20 30 CHEDMO CC(C)CCn1cccc1C[N@H+](CCC#N)CC(C)C ZINC000768153346 1129836185 /nfs/dbraw/zinc/83/61/85/1129836185.db2.gz DMSSSSAFTCILKG-UHFFFAOYSA-N 1 1 275.440 3.906 20 30 CHEDMO CC(C)CCn1cccc1C[N@@H+](CCC#N)CC(C)C ZINC000768153346 1129836190 /nfs/dbraw/zinc/83/61/90/1129836190.db2.gz DMSSSSAFTCILKG-UHFFFAOYSA-N 1 1 275.440 3.906 20 30 CHEDMO C#CCOc1ccc(C[N@@H+](CC)Cc2cccs2)cc1 ZINC000768196363 1129842566 /nfs/dbraw/zinc/84/25/66/1129842566.db2.gz BTRXKKGCDAMJIK-UHFFFAOYSA-N 1 1 285.412 3.782 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000768431178 1129856350 /nfs/dbraw/zinc/85/63/50/1129856350.db2.gz WZLFVXKDNZPCHA-GOSISDBHSA-N 1 1 298.386 3.885 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000768431178 1129856355 /nfs/dbraw/zinc/85/63/55/1129856355.db2.gz WZLFVXKDNZPCHA-GOSISDBHSA-N 1 1 298.386 3.885 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(COCC)c1)C(C)C ZINC000768547429 1129864504 /nfs/dbraw/zinc/86/45/04/1129864504.db2.gz MEYWQTXDONUJGR-UHFFFAOYSA-N 1 1 277.408 3.628 20 30 CHEDMO C#CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000768549357 1129864958 /nfs/dbraw/zinc/86/49/58/1129864958.db2.gz XWRBRPZPDNBOQX-UHFFFAOYSA-N 1 1 292.766 3.626 20 30 CHEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000800381833 1129868780 /nfs/dbraw/zinc/86/87/80/1129868780.db2.gz KNXGEQCFXAFFSB-NEPJUHHUSA-N 1 1 269.310 3.762 20 30 CHEDMO C[C@H](C(=O)OCCCCC(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000768718336 1129869527 /nfs/dbraw/zinc/86/95/27/1129869527.db2.gz KMRMKLFCNOTQJN-QLFBSQMISA-N 1 1 294.439 3.511 20 30 CHEDMO CCCCCCCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246217379 1131405103 /nfs/dbraw/zinc/40/51/03/1131405103.db2.gz FXZBVDBGZDFYIQ-KSZLIROESA-N 1 1 298.515 3.608 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1c(O)cccc1OC ZINC000769335958 1129902833 /nfs/dbraw/zinc/90/28/33/1129902833.db2.gz XZLASAOVIXHXRY-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c(O)cccc1OC ZINC000769335958 1129902836 /nfs/dbraw/zinc/90/28/36/1129902836.db2.gz XZLASAOVIXHXRY-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000769335948 1129903183 /nfs/dbraw/zinc/90/31/83/1129903183.db2.gz WZQHUVZIINYIAG-UHFFFAOYSA-N 1 1 280.799 3.807 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000769334330 1129903289 /nfs/dbraw/zinc/90/32/89/1129903289.db2.gz CEBMTMLQMJOUJW-UHFFFAOYSA-N 1 1 298.430 3.850 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000769334330 1129903292 /nfs/dbraw/zinc/90/32/92/1129903292.db2.gz CEBMTMLQMJOUJW-UHFFFAOYSA-N 1 1 298.430 3.850 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769416846 1129907289 /nfs/dbraw/zinc/90/72/89/1129907289.db2.gz MMJVRFDOCWYTEH-MRXNPFEDSA-N 1 1 285.435 3.801 20 30 CHEDMO C[C@H]1CC(N=Nc2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000769826315 1129927604 /nfs/dbraw/zinc/92/76/04/1129927604.db2.gz DOPICHVJQKGTFS-VIFPVBQESA-N 1 1 281.762 3.504 20 30 CHEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H](CC)c1ccccc1 ZINC000801913206 1129958048 /nfs/dbraw/zinc/95/80/48/1129958048.db2.gz ABTITOILZGGVJD-NVXWUHKLSA-N 1 1 274.408 3.778 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000801930394 1129960703 /nfs/dbraw/zinc/96/07/03/1129960703.db2.gz OPTQHGQKPZCTSN-STQMWFEESA-N 1 1 292.810 3.794 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000801932090 1129961055 /nfs/dbraw/zinc/96/10/55/1129961055.db2.gz GQGRUYQEWVJFNQ-KSSFIOAISA-N 1 1 297.402 3.624 20 30 CHEDMO C#CC[N@H+](C[C@H]1CC1(Cl)Cl)[C@@H]1CCc2ccccc21 ZINC000747528831 1130005176 /nfs/dbraw/zinc/00/51/76/1130005176.db2.gz OTHMVQQRWVYVEK-UKRRQHHQSA-N 1 1 294.225 3.803 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(C#N)ccn1 ZINC000902723918 1130044752 /nfs/dbraw/zinc/04/47/52/1130044752.db2.gz TVUJWARFNCSSCQ-WDEREUQCSA-N 1 1 287.313 3.643 20 30 CHEDMO CCCC[NH+]1CCC(N[C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902779662 1130055347 /nfs/dbraw/zinc/05/53/47/1130055347.db2.gz YUXZIMMFJFHURJ-IBGZPJMESA-N 1 1 299.462 3.863 20 30 CHEDMO CCCCN1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902779662 1130055348 /nfs/dbraw/zinc/05/53/48/1130055348.db2.gz YUXZIMMFJFHURJ-IBGZPJMESA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1cccc(C#N)c1 ZINC000902811688 1130061632 /nfs/dbraw/zinc/06/16/32/1130061632.db2.gz CUBNOXQPVCLUBV-QGZVFWFLSA-N 1 1 282.391 3.577 20 30 CHEDMO CCc1cnc(C[NH2+][C@H](CC)c2cccc(C#N)c2)s1 ZINC000902826331 1130065616 /nfs/dbraw/zinc/06/56/16/1130065616.db2.gz RJEACSWQKSDNQX-OAHLLOKOSA-N 1 1 285.416 3.818 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000785996550 1130072134 /nfs/dbraw/zinc/07/21/34/1130072134.db2.gz DRGRWOKASRHTOI-INIZCTEOSA-N 1 1 297.398 3.950 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000785998615 1130072477 /nfs/dbraw/zinc/07/24/77/1130072477.db2.gz JGROPCDTVLKDTA-GJZGRUSLSA-N 1 1 299.336 3.779 20 30 CHEDMO CC[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C#N)c1 ZINC000902975091 1130094073 /nfs/dbraw/zinc/09/40/73/1130094073.db2.gz CEGDPFSWDHJKSM-ACBHZAAOSA-N 1 1 297.446 3.616 20 30 CHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1SC ZINC000903031585 1130101790 /nfs/dbraw/zinc/10/17/90/1130101790.db2.gz MGPFSAGOZGXPQA-LBPRGKRZSA-N 1 1 290.432 3.762 20 30 CHEDMO C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1cc(C#N)ccn1 ZINC000903037292 1130102713 /nfs/dbraw/zinc/10/27/13/1130102713.db2.gz HODWIJHNLOXWQH-ZDUSSCGKSA-N 1 1 295.361 3.822 20 30 CHEDMO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903106192 1130113284 /nfs/dbraw/zinc/11/32/84/1130113284.db2.gz NHXGCBRBZUSIMS-MRXNPFEDSA-N 1 1 284.403 3.917 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000903108045 1130114281 /nfs/dbraw/zinc/11/42/81/1130114281.db2.gz LAIXLXHAWYHGMR-OAHLLOKOSA-N 1 1 287.363 3.719 20 30 CHEDMO N#CC1(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)CC1 ZINC000903110050 1130115801 /nfs/dbraw/zinc/11/58/01/1130115801.db2.gz ZIAXBQNEZMGKPX-SFHVURJKSA-N 1 1 291.398 3.649 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)nc1C)[C@@H]1CCc2ccccc21 ZINC000787044184 1130127644 /nfs/dbraw/zinc/12/76/44/1130127644.db2.gz YVVJOYAEEOHDED-GOSISDBHSA-N 1 1 294.373 3.652 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)nc1C)[C@@H]1CCc2ccccc21 ZINC000787044184 1130127645 /nfs/dbraw/zinc/12/76/45/1130127645.db2.gz YVVJOYAEEOHDED-GOSISDBHSA-N 1 1 294.373 3.652 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(-c2ccco2)s1)C(C)C ZINC000787100343 1130131778 /nfs/dbraw/zinc/13/17/78/1130131778.db2.gz KIDZLEWIUUMLEO-UHFFFAOYSA-N 1 1 262.378 3.800 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC1(Cl)Cl ZINC000746650537 1130136960 /nfs/dbraw/zinc/13/69/60/1130136960.db2.gz AKKWFQBRQZUGQX-AWEZNQCLSA-N 1 1 297.229 3.962 20 30 CHEDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000903269934 1130142064 /nfs/dbraw/zinc/14/20/64/1130142064.db2.gz SKIINBZKCRFFAP-CYBMUJFWSA-N 1 1 285.416 3.791 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000746676065 1130146309 /nfs/dbraw/zinc/14/63/09/1130146309.db2.gz ZFBFBSCIIJWOII-KRWDZBQOSA-N 1 1 279.399 3.846 20 30 CHEDMO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F ZINC000903335337 1130160533 /nfs/dbraw/zinc/16/05/33/1130160533.db2.gz NZKUYMTXDDXWFM-XIKOKIGWSA-N 1 1 295.361 3.894 20 30 CHEDMO COc1ccc(CNc2cc[nH+]c3ccsc32)cc1C#N ZINC000746709548 1130165336 /nfs/dbraw/zinc/16/53/36/1130165336.db2.gz APJORHHSQAINNV-UHFFFAOYSA-N 1 1 295.367 3.789 20 30 CHEDMO C=C[C@H](CC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000788116262 1130173888 /nfs/dbraw/zinc/17/38/88/1130173888.db2.gz IUZKHEYVANKPIQ-BPQIPLTHSA-N 1 1 299.414 3.516 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCCc1ccc(F)c(F)c1 ZINC001462017333 1130182134 /nfs/dbraw/zinc/18/21/34/1130182134.db2.gz GJMIRBDDBNCDJK-UHFFFAOYSA-N 1 1 280.362 3.769 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@H]1CC ZINC001462124237 1130200253 /nfs/dbraw/zinc/20/02/53/1130200253.db2.gz COLAVNIPNCBIRN-XJKSGUPXSA-N 1 1 291.822 3.972 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](OC)C1CCCCC1 ZINC001170094148 1130221144 /nfs/dbraw/zinc/22/11/44/1130221144.db2.gz GKSKGNBVUBZGFC-IBGZPJMESA-N 1 1 285.431 3.717 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC001137278247 1130281910 /nfs/dbraw/zinc/28/19/10/1130281910.db2.gz QAYZNNIGIYYPQT-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cnc3ccccc3c1)C2 ZINC001137278247 1130281911 /nfs/dbraw/zinc/28/19/11/1130281911.db2.gz QAYZNNIGIYYPQT-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133379 1130292883 /nfs/dbraw/zinc/29/28/83/1130292883.db2.gz SRVVJMHDAZZNAX-SECBINFHSA-N 1 1 287.247 3.605 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133379 1130292888 /nfs/dbraw/zinc/29/28/88/1130292888.db2.gz SRVVJMHDAZZNAX-SECBINFHSA-N 1 1 287.247 3.605 20 30 CHEDMO CC[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673187 1130294484 /nfs/dbraw/zinc/29/44/84/1130294484.db2.gz HINJPXIMGGYUOO-VXGBXAGGSA-N 1 1 280.774 3.993 20 30 CHEDMO CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673187 1130294485 /nfs/dbraw/zinc/29/44/85/1130294485.db2.gz HINJPXIMGGYUOO-VXGBXAGGSA-N 1 1 280.774 3.993 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000826861466 1130296694 /nfs/dbraw/zinc/29/66/94/1130296694.db2.gz GHBVRVAOWYOCFJ-GFCCVEGCSA-N 1 1 280.774 3.647 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2scc(C)c2Cl)C1 ZINC001137292578 1130306570 /nfs/dbraw/zinc/30/65/70/1130306570.db2.gz GPBRPZJPHVBFRN-NSHDSACASA-N 1 1 253.798 3.555 20 30 CHEDMO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000790462831 1130314272 /nfs/dbraw/zinc/31/42/72/1130314272.db2.gz FVOYYISASRHLMV-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000678262312 1130381921 /nfs/dbraw/zinc/38/19/21/1130381921.db2.gz LYVCKYNELROOCU-INIZCTEOSA-N 1 1 283.371 3.834 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(CC)c2)cc1 ZINC001240653196 1130402308 /nfs/dbraw/zinc/40/23/08/1130402308.db2.gz CQYCYSYKVWRPBG-SFHVURJKSA-N 1 1 281.403 3.893 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000792219383 1130438605 /nfs/dbraw/zinc/43/86/05/1130438605.db2.gz YLAIJDZGMCLPOZ-KRWDZBQOSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000792219383 1130438610 /nfs/dbraw/zinc/43/86/10/1130438610.db2.gz YLAIJDZGMCLPOZ-KRWDZBQOSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000792294194 1130443714 /nfs/dbraw/zinc/44/37/14/1130443714.db2.gz GYPQUFYSBQCXGQ-INIZCTEOSA-N 1 1 267.413 3.519 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001170389152 1130488125 /nfs/dbraw/zinc/48/81/25/1130488125.db2.gz LPUHWOBBLNQXTO-WEOZKBJRSA-N 1 1 280.415 3.875 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389220 1130488236 /nfs/dbraw/zinc/48/82/36/1130488236.db2.gz NCSIKVQLQMAPAL-QHGAOEGBSA-N 1 1 292.426 3.736 20 30 CHEDMO CC1(C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170378653 1130489657 /nfs/dbraw/zinc/48/96/57/1130489657.db2.gz HKWXYFJHCUXVMA-UHFFFAOYSA-N 1 1 298.430 3.501 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]C/C(=C/F)CCc1ccc(F)cc1 ZINC001255156731 1130499276 /nfs/dbraw/zinc/49/92/76/1130499276.db2.gz NMBIORXBOGAWSO-UKYUDJEDSA-N 1 1 278.346 3.894 20 30 CHEDMO CC[C@H](CC#N)[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC001255157610 1130501030 /nfs/dbraw/zinc/50/10/30/1130501030.db2.gz SKUUQOQRZVMJJA-CYBMUJFWSA-N 1 1 250.773 3.857 20 30 CHEDMO C#CC[N@H+](CCCCCF)[C@@H]1CCc2ccccc21 ZINC000792861305 1130502167 /nfs/dbraw/zinc/50/21/67/1130502167.db2.gz ASTVMOUHMGHYET-QGZVFWFLSA-N 1 1 259.368 3.749 20 30 CHEDMO C=CC[N@@H+](CCCOC(C)(C)C)CCc1ccco1 ZINC000679329760 1130515784 /nfs/dbraw/zinc/51/57/84/1130515784.db2.gz WKZQNPDRZUBUSB-UHFFFAOYSA-N 1 1 265.397 3.515 20 30 CHEDMO CCCCCCC[C@@H](C)[NH2+]Cc1ncccc1O ZINC000793254515 1130536589 /nfs/dbraw/zinc/53/65/89/1130536589.db2.gz BQXBSSFRDJLCAU-CYBMUJFWSA-N 1 1 250.386 3.626 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000700378589 1130545890 /nfs/dbraw/zinc/54/58/90/1130545890.db2.gz GFDRCBMRMZIEFO-JKSUJKDBSA-N 1 1 255.446 3.687 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000793552297 1130569121 /nfs/dbraw/zinc/56/91/21/1130569121.db2.gz XQTABXJFTBRQSC-ZFWWWQNUSA-N 1 1 261.413 3.902 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000758098852 1130597332 /nfs/dbraw/zinc/59/73/32/1130597332.db2.gz WPKWUTZRHAYRIQ-UHFFFAOYSA-N 1 1 286.206 3.877 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2ccccc2C(F)(F)F)CC1 ZINC000758087981 1130597513 /nfs/dbraw/zinc/59/75/13/1130597513.db2.gz AICHYFYXFOOFNZ-UHFFFAOYSA-N 1 1 285.313 3.589 20 30 CHEDMO CCc1[nH+]c(C=NOCc2ccc(F)cc2)c2ccccn21 ZINC000758145690 1130601647 /nfs/dbraw/zinc/60/16/47/1130601647.db2.gz ZJUDBIDIXJMAPO-UHFFFAOYSA-N 1 1 297.333 3.587 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234074941 1130606324 /nfs/dbraw/zinc/60/63/24/1130606324.db2.gz DHLRXAWFSKOWNV-UHFFFAOYSA-N 1 1 299.418 3.669 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512324 1130618300 /nfs/dbraw/zinc/61/83/00/1130618300.db2.gz LYQSPQNSAGSFDL-AWEZNQCLSA-N 1 1 293.357 3.566 20 30 CHEDMO CCOC(=[NH2+])c1ccc(OC2CCC(C#N)CC2)cc1 ZINC001234584678 1130658353 /nfs/dbraw/zinc/65/83/53/1130658353.db2.gz HZLGCFGDGVJRTF-UHFFFAOYSA-N 1 1 272.348 3.510 20 30 CHEDMO C=CC[C@H](CC)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796976249 1130664471 /nfs/dbraw/zinc/66/44/71/1130664471.db2.gz AKXYAGOGCGAADU-JSGCOSHPSA-N 1 1 251.345 3.927 20 30 CHEDMO C=CCCCCCCCCCN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026816 1130703468 /nfs/dbraw/zinc/70/34/68/1130703468.db2.gz SWMYVUUCAFBKHN-DLBZAZTESA-N 1 1 264.457 3.587 20 30 CHEDMO Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000781423504 1130716779 /nfs/dbraw/zinc/71/67/79/1130716779.db2.gz RBQWXNXLYUMVLA-LBPRGKRZSA-N 1 1 286.325 3.996 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cc(F)ccc1C)c1ccc(F)cc1 ZINC000812793756 1130716945 /nfs/dbraw/zinc/71/69/45/1130716945.db2.gz CZBBNFXTXKKLLN-QGZVFWFLSA-N 1 1 271.310 3.737 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(F)cc1 ZINC000812793469 1130717391 /nfs/dbraw/zinc/71/73/91/1130717391.db2.gz VNIYBZKOAVQKCS-QGZVFWFLSA-N 1 1 253.320 3.598 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848688 1130721633 /nfs/dbraw/zinc/72/16/33/1130721633.db2.gz DEFOSGDCPLPXPV-DNVCBOLYSA-N 1 1 294.398 3.502 20 30 CHEDMO C=CCCCCCC[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235218401 1130724295 /nfs/dbraw/zinc/72/42/95/1130724295.db2.gz OREQVTDYSLLREC-RBUKOAKNSA-N 1 1 284.447 3.694 20 30 CHEDMO C=CCCCCCCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235218401 1130724296 /nfs/dbraw/zinc/72/42/96/1130724296.db2.gz OREQVTDYSLLREC-RBUKOAKNSA-N 1 1 284.447 3.694 20 30 CHEDMO C#CC[N@@H+](Cc1cccc(CC)n1)[C@@H]1CCc2ccccc21 ZINC001235258231 1130729353 /nfs/dbraw/zinc/72/93/53/1130729353.db2.gz LKWDGUGELLFPQN-HXUWFJFHSA-N 1 1 290.410 3.767 20 30 CHEDMO C#CC[N@H+](Cc1cccc(CC)n1)[C@@H]1CCc2ccccc21 ZINC001235258231 1130729355 /nfs/dbraw/zinc/72/93/55/1130729355.db2.gz LKWDGUGELLFPQN-HXUWFJFHSA-N 1 1 290.410 3.767 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411065 1130740339 /nfs/dbraw/zinc/74/03/39/1130740339.db2.gz ZWPCIJXUUUXUTP-SJORKVTESA-N 1 1 282.447 3.537 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(F)c(OC)c1 ZINC001235443212 1130744992 /nfs/dbraw/zinc/74/49/92/1130744992.db2.gz XJXOZGJSSUKKLT-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1CC#N ZINC001235512858 1130749995 /nfs/dbraw/zinc/74/99/95/1130749995.db2.gz WLGUCHRZOASJNM-OAHLLOKOSA-N 1 1 276.383 3.872 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001235530127 1130753085 /nfs/dbraw/zinc/75/30/85/1130753085.db2.gz QVAGMFOKWLHZCP-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO N#CCc1ccccc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001235530127 1130753090 /nfs/dbraw/zinc/75/30/90/1130753090.db2.gz QVAGMFOKWLHZCP-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO Cc1cccc2c1CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000782183217 1130758487 /nfs/dbraw/zinc/75/84/87/1130758487.db2.gz IVOBDWXJBHADRR-OAHLLOKOSA-N 1 1 276.383 3.986 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1n[nH]c2cc(N)ccc21 ZINC001235664853 1130763653 /nfs/dbraw/zinc/76/36/53/1130763653.db2.gz YNGLEIDPGZNTPL-UHFFFAOYSA-N 1 1 288.439 3.937 20 30 CHEDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c1 ZINC001235686080 1130767847 /nfs/dbraw/zinc/76/78/47/1130767847.db2.gz XIAHVIRYSHUCGF-AWEZNQCLSA-N 1 1 286.419 3.815 20 30 CHEDMO C=CCCCCCCC[N@@H+](CC)C1CCNCC1 ZINC001235762414 1130779150 /nfs/dbraw/zinc/77/91/50/1130779150.db2.gz UCXMVPMCWMSFGX-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCC[N@H+](CC)C1CCNCC1 ZINC001235762414 1130779156 /nfs/dbraw/zinc/77/91/56/1130779156.db2.gz UCXMVPMCWMSFGX-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C=C(Br)C[N@H+]1CCCC2(CCCC2)C1 ZINC000782636110 1130784824 /nfs/dbraw/zinc/78/48/24/1130784824.db2.gz FBTCKBSZZYYLFT-UHFFFAOYSA-N 1 1 258.203 3.551 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC12CCC2 ZINC000814171019 1130838314 /nfs/dbraw/zinc/83/83/14/1130838314.db2.gz HLUSRWMDFMQYAS-MAUKXSAKSA-N 1 1 298.430 3.988 20 30 CHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NOCC1CC1 ZINC000814244445 1130847076 /nfs/dbraw/zinc/84/70/76/1130847076.db2.gz UEEJBANYKXNDHZ-UHFFFAOYSA-N 1 1 274.408 3.557 20 30 CHEDMO CC(=NOCCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814246005 1130848210 /nfs/dbraw/zinc/84/82/10/1130848210.db2.gz RKOFWTLSLQAPJC-GOSISDBHSA-N 1 1 286.419 3.701 20 30 CHEDMO CC(=[NH+]Nc1ccc(C)cc1)c1cc(N)ccc1F ZINC000814685103 1130895250 /nfs/dbraw/zinc/89/52/50/1130895250.db2.gz BQKZFNTUKBDENH-UHFFFAOYSA-N 1 1 257.312 3.552 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484044 1130906976 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3.877 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC001137036540 1131512012 /nfs/dbraw/zinc/51/20/12/1131512012.db2.gz UUKGGZKWYFGKLM-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C#CCOc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC001138556109 1131520456 /nfs/dbraw/zinc/52/04/56/1131520456.db2.gz GGCMGACXGVAQJK-MRXNPFEDSA-N 1 1 291.394 3.818 20 30 CHEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC001138557338 1131520701 /nfs/dbraw/zinc/52/07/01/1131520701.db2.gz HQDYTFQSTXPCJR-MJGOQNOKSA-N 1 1 283.415 3.853 20 30 CHEDMO C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)[C@H]1C ZINC001143726499 1131527383 /nfs/dbraw/zinc/52/73/83/1131527383.db2.gz RXJVPJUQFBTILU-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)[C@H]1C ZINC001143726499 1131527387 /nfs/dbraw/zinc/52/73/87/1131527387.db2.gz RXJVPJUQFBTILU-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)[C@H](C)C1 ZINC001143726134 1131527568 /nfs/dbraw/zinc/52/75/68/1131527568.db2.gz HHDUIJUWMAOJFQ-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)[C@H](C)C1 ZINC001143726134 1131527571 /nfs/dbraw/zinc/52/75/71/1131527571.db2.gz HHDUIJUWMAOJFQ-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C=CCc1cccc(C[N@@H+]2Cc3ccc(F)cc3C2)c1O ZINC001138627865 1131527838 /nfs/dbraw/zinc/52/78/38/1131527838.db2.gz HFIRSLSXNYDLNG-UHFFFAOYSA-N 1 1 283.346 3.776 20 30 CHEDMO C=CCc1cccc(C[N@H+]2Cc3ccc(F)cc3C2)c1O ZINC001138627865 1131527841 /nfs/dbraw/zinc/52/78/41/1131527841.db2.gz HFIRSLSXNYDLNG-UHFFFAOYSA-N 1 1 283.346 3.776 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730853 1131528769 /nfs/dbraw/zinc/52/87/69/1131528769.db2.gz CMRILQROFNVINS-TXEJJXNPSA-N 1 1 262.784 3.690 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+](C)Cc1ccncc1 ZINC001138661508 1131534205 /nfs/dbraw/zinc/53/42/05/1131534205.db2.gz AVHWOSUFHRCJNZ-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC001138661508 1131534207 /nfs/dbraw/zinc/53/42/07/1131534207.db2.gz AVHWOSUFHRCJNZ-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@@H]1COC ZINC001138661561 1131534518 /nfs/dbraw/zinc/53/45/18/1131534518.db2.gz CKJLNFSQBBEHDW-QGZVFWFLSA-N 1 1 289.419 3.642 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001138827883 1131554288 /nfs/dbraw/zinc/55/42/88/1131554288.db2.gz HKTYHPRCOUDWAF-UHFFFAOYSA-N 1 1 251.418 3.521 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+](C)Cc1cccnc1C ZINC001138666604 1131535363 /nfs/dbraw/zinc/53/53/63/1131535363.db2.gz ZEEGPCNSUKAXRL-UHFFFAOYSA-N 1 1 296.414 3.977 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cccnc1C ZINC001138666604 1131535368 /nfs/dbraw/zinc/53/53/68/1131535368.db2.gz ZEEGPCNSUKAXRL-UHFFFAOYSA-N 1 1 296.414 3.977 20 30 CHEDMO C=CC[NH+](CC=C)Cc1c(Cl)[nH]c2ccccc21 ZINC001138688141 1131537295 /nfs/dbraw/zinc/53/72/95/1131537295.db2.gz RTPAMOPONXOQOL-UHFFFAOYSA-N 1 1 260.768 3.995 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCCO2 ZINC001138714723 1131540373 /nfs/dbraw/zinc/54/03/73/1131540373.db2.gz CLSLXEFOJFLJNK-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)cc(OC)c1OC ZINC001138746294 1131545189 /nfs/dbraw/zinc/54/51/89/1131545189.db2.gz XICWWLXHRQYKJK-UHFFFAOYSA-N 1 1 283.799 3.755 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCCCC)c2)C1 ZINC001138954836 1131564361 /nfs/dbraw/zinc/56/43/61/1131564361.db2.gz BFUXYLUKGBKMKR-MRXNPFEDSA-N 1 1 271.404 3.711 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC001138970827 1131567947 /nfs/dbraw/zinc/56/79/47/1131567947.db2.gz ZIUQEOXMPBPEKU-MRXNPFEDSA-N 1 1 271.404 3.567 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001139027277 1131573242 /nfs/dbraw/zinc/57/32/42/1131573242.db2.gz SWAHQTLWSGZDHN-IRXDYDNUSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001139027277 1131573245 /nfs/dbraw/zinc/57/32/45/1131573245.db2.gz SWAHQTLWSGZDHN-IRXDYDNUSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139076702 1131580127 /nfs/dbraw/zinc/58/01/27/1131580127.db2.gz VHGOUAHOZVDKHS-UHFFFAOYSA-N 1 1 281.783 3.857 20 30 CHEDMO C=CC[N@H+](C)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139185282 1131592911 /nfs/dbraw/zinc/59/29/11/1131592911.db2.gz QMCVEHMEZSVLMQ-UHFFFAOYSA-N 1 1 279.181 3.548 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001139246618 1131598710 /nfs/dbraw/zinc/59/87/10/1131598710.db2.gz GEPYPJYILODNEC-INIZCTEOSA-N 1 1 292.382 3.719 20 30 CHEDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C#N)C3)s2)cc1 ZINC001139288376 1131600818 /nfs/dbraw/zinc/60/08/18/1131600818.db2.gz WQXSASSFBUNRDG-ZDUSSCGKSA-N 1 1 298.411 3.769 20 30 CHEDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C#N)C3)s2)cc1 ZINC001139288376 1131600822 /nfs/dbraw/zinc/60/08/22/1131600822.db2.gz WQXSASSFBUNRDG-ZDUSSCGKSA-N 1 1 298.411 3.769 20 30 CHEDMO CC[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C(C)C ZINC001139400336 1131607129 /nfs/dbraw/zinc/60/71/29/1131607129.db2.gz OTBSMKUIODHVCS-UHFFFAOYSA-N 1 1 279.387 3.851 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(N(C)C)nc1 ZINC001139456735 1131609829 /nfs/dbraw/zinc/60/98/29/1131609829.db2.gz JWBMLCJUMPEFKL-UHFFFAOYSA-N 1 1 277.456 3.940 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519868 1131612933 /nfs/dbraw/zinc/61/29/33/1131612933.db2.gz YKFOBCDOVNINAU-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001171171196 1131623353 /nfs/dbraw/zinc/62/33/53/1131623353.db2.gz VTMWOXJUCGUWAQ-IPMKNSEASA-N 1 1 287.447 3.972 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001139674189 1131627708 /nfs/dbraw/zinc/62/77/08/1131627708.db2.gz UOKRTFKKMSEKSQ-UHFFFAOYSA-N 1 1 260.425 3.849 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246564911 1131627927 /nfs/dbraw/zinc/62/79/27/1131627927.db2.gz ADCODTJUAVQFPK-QWHCGFSZSA-N 1 1 280.378 3.701 20 30 CHEDMO COCC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139691410 1131629229 /nfs/dbraw/zinc/62/92/29/1131629229.db2.gz XLJYISGLGLPVIE-AWEZNQCLSA-N 1 1 292.810 3.603 20 30 CHEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139691410 1131629230 /nfs/dbraw/zinc/62/92/30/1131629230.db2.gz XLJYISGLGLPVIE-AWEZNQCLSA-N 1 1 292.810 3.603 20 30 CHEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139692196 1131629732 /nfs/dbraw/zinc/62/97/32/1131629732.db2.gz QOZKQOKZWQQAQT-HNNXBMFYSA-N 1 1 292.810 3.601 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@@H]1C ZINC001139703828 1131629826 /nfs/dbraw/zinc/62/98/26/1131629826.db2.gz UYHJDDZWDVZDNJ-CHWSQXEVSA-N 1 1 267.376 3.660 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc(Cl)c1C#N ZINC001139693554 1131629844 /nfs/dbraw/zinc/62/98/44/1131629844.db2.gz KGCHBJUDANKBQE-UHFFFAOYSA-N 1 1 262.784 4.000 20 30 CHEDMO CCCC[N@@H+](CC)Cc1c[nH]c2c1cccc2C#N ZINC001139701592 1131630084 /nfs/dbraw/zinc/63/00/84/1131630084.db2.gz LJMXUMNFFBPKNY-UHFFFAOYSA-N 1 1 255.365 3.662 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001139692338 1131630180 /nfs/dbraw/zinc/63/01/80/1131630180.db2.gz WLVQCQWOMHLINK-WBMJQRKESA-N 1 1 274.795 3.976 20 30 CHEDMO C[N@H+](Cc1c[nH]c2c1cccc2C#N)CC1CC(F)(F)C1 ZINC001139706311 1131631239 /nfs/dbraw/zinc/63/12/39/1131631239.db2.gz QWTVVIMORNBTFZ-UHFFFAOYSA-N 1 1 289.329 3.517 20 30 CHEDMO Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc1C#N ZINC001139725942 1131631903 /nfs/dbraw/zinc/63/19/03/1131631903.db2.gz KWLXJAYDRSSYDB-HNNXBMFYSA-N 1 1 276.383 3.814 20 30 CHEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC001139726238 1131632104 /nfs/dbraw/zinc/63/21/04/1131632104.db2.gz BIKSWZVRNDPEBG-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1C#N ZINC001139727033 1131632156 /nfs/dbraw/zinc/63/21/56/1131632156.db2.gz GHOSVFVODNITQM-UHFFFAOYSA-N 1 1 293.414 3.565 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001139726638 1131632221 /nfs/dbraw/zinc/63/22/21/1131632221.db2.gz XKDBGUSUQVVEDW-IBGZPJMESA-N 1 1 290.410 3.931 20 30 CHEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001139726394 1131632575 /nfs/dbraw/zinc/63/25/75/1131632575.db2.gz MDJOJECATPDHMG-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)cc1C#N ZINC001139722940 1131632717 /nfs/dbraw/zinc/63/27/17/1131632717.db2.gz LNHVGMDEHPUGLD-ZDUSSCGKSA-N 1 1 278.346 3.734 20 30 CHEDMO C=CCn1cc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC001139772359 1131636377 /nfs/dbraw/zinc/63/63/77/1131636377.db2.gz GNKCDPMMEMJFML-ZDUSSCGKSA-N 1 1 289.810 3.916 20 30 CHEDMO C=CCC[N@H+](Cc1cnc(OC)s1)Cc1ccccc1 ZINC001139817393 1131639140 /nfs/dbraw/zinc/63/91/40/1131639140.db2.gz NARQRAUKROIPLB-UHFFFAOYSA-N 1 1 288.416 3.730 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cnc(OC)s1 ZINC001139817197 1131639234 /nfs/dbraw/zinc/63/92/34/1131639234.db2.gz BRNXVXWBVSSYBX-UHFFFAOYSA-N 1 1 270.442 3.944 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139873561 1131643117 /nfs/dbraw/zinc/64/31/17/1131643117.db2.gz WEAGTUANYVGGOI-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139873561 1131643121 /nfs/dbraw/zinc/64/31/21/1131643121.db2.gz WEAGTUANYVGGOI-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139873537 1131643817 /nfs/dbraw/zinc/64/38/17/1131643817.db2.gz UTDONTGLYQUOMC-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139873537 1131643820 /nfs/dbraw/zinc/64/38/20/1131643820.db2.gz UTDONTGLYQUOMC-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO Cn1c(C[N@@H+](C)Cc2ccc(C#N)cc2)cc2ccccc21 ZINC001139870691 1131644488 /nfs/dbraw/zinc/64/44/88/1131644488.db2.gz ODOJYNSCECTPLF-UHFFFAOYSA-N 1 1 289.382 3.682 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1C ZINC001140110503 1131665602 /nfs/dbraw/zinc/66/56/02/1131665602.db2.gz MKDRUIORVMUGAD-ZIAGYGMSSA-N 1 1 281.403 3.908 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@H]1C ZINC001140113748 1131665610 /nfs/dbraw/zinc/66/56/10/1131665610.db2.gz CKRWRIBQUNNGSL-OLZOCXBDSA-N 1 1 267.376 3.660 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140110960 1131665958 /nfs/dbraw/zinc/66/59/58/1131665958.db2.gz VWZBPSCLKNETOR-LLVKDONJSA-N 1 1 289.329 3.517 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc2cnccc21 ZINC001140144764 1131667321 /nfs/dbraw/zinc/66/73/21/1131667321.db2.gz OGFAEKWAOOYWPC-UHFFFAOYSA-N 1 1 267.376 3.751 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001171202514 1131669962 /nfs/dbraw/zinc/66/99/62/1131669962.db2.gz CQVMGHCMXMOZNR-DNVCBOLYSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC001171203939 1131674617 /nfs/dbraw/zinc/67/46/17/1131674617.db2.gz QMSGQQQWKMBOOZ-OAHLLOKOSA-N 1 1 276.383 3.548 20 30 CHEDMO CC1=C[C@H](C)C[C@@H](C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC000846005694 1131676235 /nfs/dbraw/zinc/67/62/35/1131676235.db2.gz BRMZCKDGVSEQOT-YJLNNSPDSA-N 1 1 298.430 3.516 20 30 CHEDMO Cc1cccc2c1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171204307 1131678530 /nfs/dbraw/zinc/67/85/30/1131678530.db2.gz VMOMKCYSNYAHSX-MRXNPFEDSA-N 1 1 290.410 3.856 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001171220488 1131704606 /nfs/dbraw/zinc/70/46/06/1131704606.db2.gz AOHFTXWHEYFBDO-ILXRZTDVSA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c(F)cccc2C1 ZINC001171228601 1131711469 /nfs/dbraw/zinc/71/14/69/1131711469.db2.gz HDKYUWRQDCTPSZ-AWEZNQCLSA-N 1 1 294.373 3.687 20 30 CHEDMO CCCCCCCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847059936 1131776140 /nfs/dbraw/zinc/77/61/40/1131776140.db2.gz VSBNDWJMWGSRLA-LBPRGKRZSA-N 1 1 253.390 3.731 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000847059936 1131776145 /nfs/dbraw/zinc/77/61/45/1131776145.db2.gz VSBNDWJMWGSRLA-LBPRGKRZSA-N 1 1 253.390 3.731 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001140538817 1131784481 /nfs/dbraw/zinc/78/44/81/1131784481.db2.gz MJQZMVMIYQLRDB-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001140538817 1131784486 /nfs/dbraw/zinc/78/44/86/1131784486.db2.gz MJQZMVMIYQLRDB-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2F)cn1 ZINC001140543401 1131786531 /nfs/dbraw/zinc/78/65/31/1131786531.db2.gz NMKGLTSDQLWRDN-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)cn1 ZINC001140543401 1131786536 /nfs/dbraw/zinc/78/65/36/1131786536.db2.gz NMKGLTSDQLWRDN-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140544101 1131786957 /nfs/dbraw/zinc/78/69/57/1131786957.db2.gz XWXVBYNJALOYFN-UHFFFAOYSA-N 1 1 277.371 3.532 20 30 CHEDMO C=CC[C@@H](Oc1cc2c(cc1OC)CC[NH+]=C2)C(C)C ZINC001228091931 1131807394 /nfs/dbraw/zinc/80/73/94/1131807394.db2.gz KPTYAZTUCXVRNB-OAHLLOKOSA-N 1 1 273.376 3.650 20 30 CHEDMO C=C(C)C[C@@H](Oc1cc2c(cc1OC)CC[NH+]=C2)C(=C)C ZINC001228092658 1131808019 /nfs/dbraw/zinc/80/80/19/1131808019.db2.gz SVOPDSJUTYUGJR-MRXNPFEDSA-N 1 1 285.387 3.960 20 30 CHEDMO CC(C)OC1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140601222 1131822021 /nfs/dbraw/zinc/82/20/21/1131822021.db2.gz JHBCOGJXHMAFLY-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001140601649 1131822563 /nfs/dbraw/zinc/82/25/63/1131822563.db2.gz WZQPJVCDIOVDSU-LLVKDONJSA-N 1 1 284.737 3.689 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001140601649 1131822569 /nfs/dbraw/zinc/82/25/69/1131822569.db2.gz WZQPJVCDIOVDSU-LLVKDONJSA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348175761 1131899900 /nfs/dbraw/zinc/89/99/00/1131899900.db2.gz FGONONNJHSBLJI-CQSZACIVSA-N 1 1 254.377 3.885 20 30 CHEDMO C=CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C(C)(C)C ZINC001140756316 1131908454 /nfs/dbraw/zinc/90/84/54/1131908454.db2.gz JXNHDBJQJBVVQB-UHFFFAOYSA-N 1 1 264.319 3.623 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000773003516 1131915875 /nfs/dbraw/zinc/91/58/75/1131915875.db2.gz DXNAEQIYBJVWBX-CQSZACIVSA-N 1 1 265.784 3.859 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)nc1 ZINC000773030555 1131923251 /nfs/dbraw/zinc/92/32/51/1131923251.db2.gz SPSBISXHBGKFSG-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO CC1(F)CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140808633 1131931725 /nfs/dbraw/zinc/93/17/25/1131931725.db2.gz XNYYJHYLSFNXFX-UHFFFAOYSA-N 1 1 266.747 3.536 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1Cl ZINC001140811077 1131932719 /nfs/dbraw/zinc/93/27/19/1131932719.db2.gz KPZKPSRSBBGRGE-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1Cl ZINC001140811077 1131932721 /nfs/dbraw/zinc/93/27/21/1131932721.db2.gz KPZKPSRSBBGRGE-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1Cl ZINC001140811385 1131933146 /nfs/dbraw/zinc/93/31/46/1131933146.db2.gz RCZXZNJDNWXXEC-CQSZACIVSA-N 1 1 297.789 3.596 20 30 CHEDMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)c1 ZINC001140822141 1131935559 /nfs/dbraw/zinc/93/55/59/1131935559.db2.gz BKXIOWUHKUUXOR-DEZZGGKRSA-N 1 1 290.794 3.615 20 30 CHEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)c1 ZINC001140822141 1131935567 /nfs/dbraw/zinc/93/55/67/1131935567.db2.gz BKXIOWUHKUUXOR-DEZZGGKRSA-N 1 1 290.794 3.615 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)c(N)c1 ZINC001140899784 1131961469 /nfs/dbraw/zinc/96/14/69/1131961469.db2.gz NXZQFRAIGFOBAX-UHFFFAOYSA-N 1 1 264.413 3.680 20 30 CHEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC001140924649 1131964915 /nfs/dbraw/zinc/96/49/15/1131964915.db2.gz KLFZQLNPHLSOGX-CYBMUJFWSA-N 1 1 291.826 3.532 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002264 1131982001 /nfs/dbraw/zinc/98/20/01/1131982001.db2.gz QVFFFVODBJZPBT-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228994626 1131994660 /nfs/dbraw/zinc/99/46/60/1131994660.db2.gz DSRZCPWDTMFHBV-HNNXBMFYSA-N 1 1 286.419 3.717 20 30 CHEDMO C=C(C)c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001229079589 1132013085 /nfs/dbraw/zinc/01/30/85/1132013085.db2.gz WNRLGFVFEYLTKB-ALXJQNPVSA-N 1 1 271.404 3.829 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2c(F)cccc2C1 ZINC001171433582 1132013796 /nfs/dbraw/zinc/01/37/96/1132013796.db2.gz MZZOWBMDXWQITH-HNNXBMFYSA-N 1 1 274.383 3.699 20 30 CHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CC1(CC#N)CC1 ZINC001171434437 1132013884 /nfs/dbraw/zinc/01/38/84/1132013884.db2.gz CLHOWNHUIRFHIU-KRWDZBQOSA-N 1 1 286.394 3.917 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC001141164064 1132033148 /nfs/dbraw/zinc/03/31/48/1132033148.db2.gz HZKXHNCWCDWPHV-OLZOCXBDSA-N 1 1 260.356 3.565 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490483 1132038516 /nfs/dbraw/zinc/03/85/16/1132038516.db2.gz OUYBSKBHEIHDIB-STQMWFEESA-N 1 1 263.331 3.761 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(C(F)(F)F)ccc1OC ZINC001141202884 1132042445 /nfs/dbraw/zinc/04/24/45/1132042445.db2.gz VRGDHXVRVXDCTE-UHFFFAOYSA-N 1 1 285.309 3.888 20 30 CHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C#CC(C)(C)C)c2C1 ZINC000837483328 1132077603 /nfs/dbraw/zinc/07/76/03/1132077603.db2.gz CRSFHCFPMIJYKC-UHFFFAOYSA-N 1 1 298.430 3.646 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC001171785164 1132101101 /nfs/dbraw/zinc/10/11/01/1132101101.db2.gz AKBOQGXXXGQDEF-GDBMZVCRSA-N 1 1 259.418 3.578 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC001171848157 1132107295 /nfs/dbraw/zinc/10/72/95/1132107295.db2.gz ZUUHLCUXGWZRAT-LBPRGKRZSA-N 1 1 295.329 3.796 20 30 CHEDMO C=CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)[C@@H](C)COC ZINC001171915096 1132108657 /nfs/dbraw/zinc/10/86/57/1132108657.db2.gz ALEMLSRZDIMIKP-PMPSAXMXSA-N 1 1 253.430 3.726 20 30 CHEDMO C=CC[N@H+](Cc1c(C)cccc1Cl)[C@H](C)COC ZINC001171917278 1132109506 /nfs/dbraw/zinc/10/95/06/1132109506.db2.gz VVRZRJQFNJQPQG-CYBMUJFWSA-N 1 1 267.800 3.671 20 30 CHEDMO C=CC[N@@H+](Cc1c(C)cccc1Cl)[C@H](C)COC ZINC001171917278 1132109511 /nfs/dbraw/zinc/10/95/11/1132109511.db2.gz VVRZRJQFNJQPQG-CYBMUJFWSA-N 1 1 267.800 3.671 20 30 CHEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001171966952 1132113078 /nfs/dbraw/zinc/11/30/78/1132113078.db2.gz QQLLKBCXHBTAMN-DOMZBBRYSA-N 1 1 296.336 3.872 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171973510 1132117220 /nfs/dbraw/zinc/11/72/20/1132117220.db2.gz JWUUVJXSJYMSET-ZIAGYGMSSA-N 1 1 295.348 3.982 20 30 CHEDMO C=CC[N@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171972881 1132117405 /nfs/dbraw/zinc/11/74/05/1132117405.db2.gz DKQFRJQKXZVQAZ-NSHDSACASA-N 1 1 257.299 3.754 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171972879 1132118409 /nfs/dbraw/zinc/11/84/09/1132118409.db2.gz DKQFRJQKXZVQAZ-LLVKDONJSA-N 1 1 257.299 3.754 20 30 CHEDMO C=CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075754 1132122839 /nfs/dbraw/zinc/12/28/39/1132122839.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075754 1132122844 /nfs/dbraw/zinc/12/28/44/1132122844.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075754 1132122846 /nfs/dbraw/zinc/12/28/46/1132122846.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075754 1132122850 /nfs/dbraw/zinc/12/28/50/1132122850.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 1 1 284.447 3.690 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156644 1132125296 /nfs/dbraw/zinc/12/52/96/1132125296.db2.gz RQYDYUBKMLAEGH-JKSUJKDBSA-N 1 1 272.452 3.888 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(F)(F)F)nc1C ZINC001141432718 1132125542 /nfs/dbraw/zinc/12/55/42/1132125542.db2.gz JDZKHJPJZRMZMS-UHFFFAOYSA-N 1 1 272.314 3.807 20 30 CHEDMO C=C(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062542 1132126444 /nfs/dbraw/zinc/12/64/44/1132126444.db2.gz PCJLVEZSCZYMQA-REPLKXPHSA-N 1 1 284.447 3.738 20 30 CHEDMO CCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172105527 1132130028 /nfs/dbraw/zinc/13/00/28/1132130028.db2.gz IVEHHIZGFUKMIL-MUJYYYPQSA-N 1 1 252.446 3.562 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172122446 1132136496 /nfs/dbraw/zinc/13/64/96/1132136496.db2.gz BDJYPWGNJAUSGP-BCDXTJNWSA-N 1 1 276.468 3.822 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1cccnc1 ZINC001172307945 1132153476 /nfs/dbraw/zinc/15/34/76/1132153476.db2.gz IHYYRJKDWIMRLH-BEFAXECRSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCOc1ccccc1 ZINC001172307674 1132153938 /nfs/dbraw/zinc/15/39/38/1132153938.db2.gz QEOGXWQSCFRHBG-INIZCTEOSA-N 1 1 294.398 3.500 20 30 CHEDMO CC(C)[N@@H+](CC1CC1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307207 1132153972 /nfs/dbraw/zinc/15/39/72/1132153972.db2.gz NBFVVAXQPKIZGD-AWEZNQCLSA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccc(F)cc2C1 ZINC001172319809 1132158659 /nfs/dbraw/zinc/15/86/59/1132158659.db2.gz RKOKBVIBBXKZSK-CYBMUJFWSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC1CCCC1 ZINC001172319109 1132158855 /nfs/dbraw/zinc/15/88/55/1132158855.db2.gz LIGBIZDDJIRLKY-CQSZACIVSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1nccs1 ZINC001172319257 1132158880 /nfs/dbraw/zinc/15/88/80/1132158880.db2.gz LWBXRPKLYWCHCC-BBRMVZONSA-N 1 1 297.427 3.783 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172355544 1132183853 /nfs/dbraw/zinc/18/38/53/1132183853.db2.gz CIHCWDLCBYJNQH-PMPSAXMXSA-N 1 1 291.426 3.870 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2c(ncn2C)C1 ZINC001172357132 1132186138 /nfs/dbraw/zinc/18/61/38/1132186138.db2.gz CALSBWBAUZTSLM-OAHLLOKOSA-N 1 1 277.456 3.917 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCN(C)CC1 ZINC001172357979 1132187276 /nfs/dbraw/zinc/18/72/76/1132187276.db2.gz NYEGTBAVGZRKTP-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001172359684 1132188489 /nfs/dbraw/zinc/18/84/89/1132188489.db2.gz ZQHNUEQQXWPTNX-SJORKVTESA-N 1 1 283.456 3.617 20 30 CHEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230514635 1132189649 /nfs/dbraw/zinc/18/96/49/1132189649.db2.gz ADLOPPUOLKKJQM-PVXIVEMSSA-N 1 1 285.391 3.905 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+](CCC#N)Cc2cccnc2)C[C@@H]1C ZINC001172365125 1132190394 /nfs/dbraw/zinc/19/03/94/1132190394.db2.gz IZNILKRQQZDRIM-HLLBOEOZSA-N 1 1 271.408 3.622 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@@H+](CCC#N)Cc2cccnc2)C[C@@H]1C ZINC001172365125 1132190397 /nfs/dbraw/zinc/19/03/97/1132190397.db2.gz IZNILKRQQZDRIM-HLLBOEOZSA-N 1 1 271.408 3.622 20 30 CHEDMO Cc1cc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)no1 ZINC000839459725 1132214947 /nfs/dbraw/zinc/21/49/47/1132214947.db2.gz QPAMUBPFRGOJOB-MRXNPFEDSA-N 1 1 287.407 3.984 20 30 CHEDMO Cc1cc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)no1 ZINC000839459725 1132214951 /nfs/dbraw/zinc/21/49/51/1132214951.db2.gz QPAMUBPFRGOJOB-MRXNPFEDSA-N 1 1 287.407 3.984 20 30 CHEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000839661524 1132228706 /nfs/dbraw/zinc/22/87/06/1132228706.db2.gz XNRYSVXALXVSIV-LBPRGKRZSA-N 1 1 292.810 3.863 20 30 CHEDMO CCCC[C@@](CC)([NH2+][C@@H](C)CCCC#N)C(=O)OCC ZINC001172485417 1132231199 /nfs/dbraw/zinc/23/11/99/1132231199.db2.gz QAOHFCMHUNOYIF-GOEBONIOSA-N 1 1 282.428 3.560 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001172502472 1132251608 /nfs/dbraw/zinc/25/16/08/1132251608.db2.gz PUXVRWOQHHQFHI-IXDOHACOSA-N 1 1 295.467 3.663 20 30 CHEDMO CCCCCCCC[C@@H](CC)[NH2+][C@@H](C)C(=O)OC ZINC001172502761 1132251824 /nfs/dbraw/zinc/25/18/24/1132251824.db2.gz LWZRJRHECOJWJO-UONOGXRCSA-N 1 1 257.418 3.667 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)CCC(=O)NC ZINC001172503839 1132253092 /nfs/dbraw/zinc/25/30/92/1132253092.db2.gz BUYRPQFRJSWRRV-OAHLLOKOSA-N 1 1 270.461 3.584 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001172505817 1132254484 /nfs/dbraw/zinc/25/44/84/1132254484.db2.gz VOKLJFYPUSCSRQ-RCCFBDPRSA-N 1 1 299.499 3.581 20 30 CHEDMO COc1ccc(C2=CC[N@H+]([C@H](C)CCCC#N)CC2)cc1 ZINC001172510339 1132257716 /nfs/dbraw/zinc/25/77/16/1132257716.db2.gz ZZJLGVYMJZAJFK-OAHLLOKOSA-N 1 1 284.403 3.867 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@](F)(CO)C1 ZINC001172509111 1132257723 /nfs/dbraw/zinc/25/77/23/1132257723.db2.gz SUEMKDLSEUXBED-CVEARBPZSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001172511527 1132258531 /nfs/dbraw/zinc/25/85/31/1132258531.db2.gz SFWXTMTXQDGNOZ-IXDOHACOSA-N 1 1 295.467 3.663 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c2cccnc12 ZINC001231490119 1132302844 /nfs/dbraw/zinc/30/28/44/1132302844.db2.gz NHFVQZMXRZLZLQ-UHFFFAOYSA-N 1 1 259.397 3.965 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(Cl)nn1 ZINC001142071046 1132311285 /nfs/dbraw/zinc/31/12/85/1132311285.db2.gz QJVNBEDHEVASAI-UHFFFAOYSA-N 1 1 269.820 3.922 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001231625626 1132327929 /nfs/dbraw/zinc/32/79/29/1132327929.db2.gz YEEONZIVHSKMDL-CYBMUJFWSA-N 1 1 285.309 3.636 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC001231625637 1132329434 /nfs/dbraw/zinc/32/94/34/1132329434.db2.gz YJDPUWYMRABRHI-HNNXBMFYSA-N 1 1 259.393 3.729 20 30 CHEDMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001231648490 1132335385 /nfs/dbraw/zinc/33/53/85/1132335385.db2.gz FVHYPHLGCMUDSB-GFCCVEGCSA-N 1 1 256.374 3.555 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC001231656746 1132335249 /nfs/dbraw/zinc/33/52/49/1132335249.db2.gz QEXSAPIQHVHRIW-SFHVURJKSA-N 1 1 291.394 3.666 20 30 CHEDMO Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001231649870 1132335455 /nfs/dbraw/zinc/33/54/55/1132335455.db2.gz SMKYBJYBILNVLO-CYBMUJFWSA-N 1 1 270.401 3.945 20 30 CHEDMO Cc1sc2ccccc2c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001231649870 1132335465 /nfs/dbraw/zinc/33/54/65/1132335465.db2.gz SMKYBJYBILNVLO-CYBMUJFWSA-N 1 1 270.401 3.945 20 30 CHEDMO C#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001231660511 1132338695 /nfs/dbraw/zinc/33/86/95/1132338695.db2.gz HJANHBSFIPROQQ-HDICACEKSA-N 1 1 273.379 3.755 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(Cl)c(O)c1 ZINC001231737411 1132350942 /nfs/dbraw/zinc/35/09/42/1132350942.db2.gz QGOQAQRZSBQACY-UHFFFAOYSA-N 1 1 253.773 3.834 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1 ZINC001231820589 1132371375 /nfs/dbraw/zinc/37/13/75/1132371375.db2.gz PKORZMQBUHWTOF-CVEARBPZSA-N 1 1 285.435 3.657 20 30 CHEDMO CC(C)c1ccccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001231873867 1132387733 /nfs/dbraw/zinc/38/77/33/1132387733.db2.gz HXLQSSUQPYKOTI-MRXNPFEDSA-N 1 1 287.428 3.584 20 30 CHEDMO CC(C)c1ccccc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001231873867 1132387740 /nfs/dbraw/zinc/38/77/40/1132387740.db2.gz HXLQSSUQPYKOTI-MRXNPFEDSA-N 1 1 287.428 3.584 20 30 CHEDMO CC(C)c1ccccc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001231873867 1132387749 /nfs/dbraw/zinc/38/77/49/1132387749.db2.gz HXLQSSUQPYKOTI-MRXNPFEDSA-N 1 1 287.428 3.584 20 30 CHEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232117528 1132425072 /nfs/dbraw/zinc/42/50/72/1132425072.db2.gz BXLKZMIKKMRUCI-OAHLLOKOSA-N 1 1 292.810 3.603 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)C2(CC2)C1 ZINC001232117007 1132425732 /nfs/dbraw/zinc/42/57/32/1132425732.db2.gz TZARJTZOAUYCHE-LLVKDONJSA-N 1 1 260.768 3.586 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)c(Cl)c1)C[C@H]1CC1(C)C ZINC001232116412 1132426379 /nfs/dbraw/zinc/42/63/79/1132426379.db2.gz KUYRSTJJOOSJHO-CYBMUJFWSA-N 1 1 262.784 3.690 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(C(C)(C)C)c1 ZINC001232216200 1132437907 /nfs/dbraw/zinc/43/79/07/1132437907.db2.gz RTRLOQLHDJNTCO-UHFFFAOYSA-N 1 1 293.414 3.883 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(COC)n1 ZINC001232255496 1132444497 /nfs/dbraw/zinc/44/44/97/1132444497.db2.gz IFJBKKPVTVYZLS-UHFFFAOYSA-N 1 1 296.414 3.806 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(O)c2ncccc12)C(C)(C)C ZINC001232281942 1132448493 /nfs/dbraw/zinc/44/84/93/1132448493.db2.gz MTCKODTWFIBSKE-UHFFFAOYSA-N 1 1 270.376 3.727 20 30 CHEDMO CCCCCCCC[C@H](CCC)[NH2+][C@@](N)(CC)CO ZINC001173310539 1132450301 /nfs/dbraw/zinc/45/03/01/1132450301.db2.gz WORAVJKVFBXVGT-HOTGVXAUSA-N 1 1 272.477 3.553 20 30 CHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001173310400 1132450765 /nfs/dbraw/zinc/45/07/65/1132450765.db2.gz UOSIFKAMWKMADR-CVEARBPZSA-N 1 1 282.472 3.713 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc(OC)cc1C ZINC001232356081 1132459488 /nfs/dbraw/zinc/45/94/88/1132459488.db2.gz ZTQRKXMBGVQVKC-UHFFFAOYSA-N 1 1 264.413 3.801 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)cc1C ZINC001232353380 1132459895 /nfs/dbraw/zinc/45/98/95/1132459895.db2.gz NKXBOOIYVSPQPW-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001173321813 1132460323 /nfs/dbraw/zinc/46/03/23/1132460323.db2.gz PWQKYRYDICOTHK-UYSNPLJNSA-N 1 1 269.404 3.714 20 30 CHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC001173323561 1132460385 /nfs/dbraw/zinc/46/03/85/1132460385.db2.gz BFUMKSUWDDXQOL-QVOMUQBLSA-N 1 1 251.414 3.621 20 30 CHEDMO C[N@@H+](CCC(=O)c1cccs1)C1CCC(CC#N)CC1 ZINC001173336527 1132465175 /nfs/dbraw/zinc/46/51/75/1132465175.db2.gz CNFIGRFWRPFMND-UHFFFAOYSA-N 1 1 290.432 3.725 20 30 CHEDMO Cc1ccc(CC[N@H+](C)C2CCC(CC#N)CC2)cc1 ZINC001173339152 1132466211 /nfs/dbraw/zinc/46/62/11/1132466211.db2.gz MVAOADDGYBFCFQ-UHFFFAOYSA-N 1 1 270.420 3.942 20 30 CHEDMO Cc1ccn2cc(C[N@H+](C)C3CCC(CC#N)CC3)nc2c1 ZINC001173337813 1132466410 /nfs/dbraw/zinc/46/64/10/1132466410.db2.gz BJGQQHLUNBHYGS-UHFFFAOYSA-N 1 1 296.418 3.547 20 30 CHEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232479171 1132476200 /nfs/dbraw/zinc/47/62/00/1132476200.db2.gz NVMVICVIHIETJX-KRWDZBQOSA-N 1 1 265.360 3.536 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232474590 1132476418 /nfs/dbraw/zinc/47/64/18/1132476418.db2.gz GOXASQHRXOGUOZ-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO C[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCC[C@@H]1C ZINC001142912240 1132476462 /nfs/dbraw/zinc/47/64/62/1132476462.db2.gz ZGKNGCUHQGAKLX-KBPBESRZSA-N 1 1 281.403 3.908 20 30 CHEDMO C=CCOC1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001173319873 1132477538 /nfs/dbraw/zinc/47/75/38/1132477538.db2.gz ZITHRPMDGWPCCN-UHFFFAOYSA-N 1 1 277.383 3.771 20 30 CHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001173319829 1132477838 /nfs/dbraw/zinc/47/78/38/1132477838.db2.gz XINYEWYRTHBSFY-JXQTWKCFSA-N 1 1 291.357 3.569 20 30 CHEDMO C=CCOC1CCC([N@@H+](C)CCOc2ccccc2)CC1 ZINC001173319991 1132479373 /nfs/dbraw/zinc/47/93/73/1132479373.db2.gz CZLJHOVDTKZCCP-UHFFFAOYSA-N 1 1 289.419 3.511 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc(Br)c1N ZINC001232527315 1132483565 /nfs/dbraw/zinc/48/35/65/1132483565.db2.gz YALZGGWWSCSCTR-UHFFFAOYSA-N 1 1 297.240 3.819 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(OCC)ccn1 ZINC001232582341 1132490203 /nfs/dbraw/zinc/49/02/03/1132490203.db2.gz ZWPJHBUZNSEJDT-UHFFFAOYSA-N 1 1 264.413 3.883 20 30 CHEDMO C[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)CCC1(F)F ZINC001173593203 1132498313 /nfs/dbraw/zinc/49/83/13/1132498313.db2.gz GNYKYSGASXWLIC-IYXRBSQSSA-N 1 1 270.367 3.826 20 30 CHEDMO COc1cccc(C[N@@H+](C)C2CCC(C)(C#N)CC2)c1 ZINC001173596061 1132498515 /nfs/dbraw/zinc/49/85/15/1132498515.db2.gz IHORASOOETWAAX-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173594319 1132498592 /nfs/dbraw/zinc/49/85/92/1132498592.db2.gz YYWQHNBVGZWJQN-OTTFEQOBSA-N 1 1 274.330 3.528 20 30 CHEDMO Cc1ccccc1O[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596112 1132498756 /nfs/dbraw/zinc/49/87/56/1132498756.db2.gz KDFGWDVSHLCNIP-HFCFLWKCSA-N 1 1 298.430 3.921 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001173599925 1132499632 /nfs/dbraw/zinc/49/96/32/1132499632.db2.gz TUPGEWBEVZAGBX-LXPRWKDFSA-N 1 1 283.419 3.561 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001173597947 1132499857 /nfs/dbraw/zinc/49/98/57/1132499857.db2.gz JWQRAMONLKJEBI-CGZBRXJRSA-N 1 1 254.377 3.906 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(Br)c(C)n1 ZINC001232670029 1132503037 /nfs/dbraw/zinc/50/30/37/1132503037.db2.gz YJIDARXXQYBERW-UHFFFAOYSA-N 1 1 297.240 3.941 20 30 CHEDMO N#C[C@@H]1CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173688940 1132509543 /nfs/dbraw/zinc/50/95/43/1132509543.db2.gz BWQAETMDPJGWFM-DMKPSLHHSA-N 1 1 280.415 3.659 20 30 CHEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)s1 ZINC001232846266 1132528330 /nfs/dbraw/zinc/52/83/30/1132528330.db2.gz DGBFIVSBNIKETP-GORDUTHDSA-N 1 1 283.400 3.550 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232901046 1132540294 /nfs/dbraw/zinc/54/02/94/1132540294.db2.gz GSKZZEFTCFPQQE-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232901047 1132540683 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/nfs/dbraw/zinc/45/55/91/1135455591.db2.gz BHHNZMBWNZVGID-HNNXBMFYSA-N 1 1 279.811 3.897 20 30 CHEDMO N#CCCCCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224689829 1135469902 /nfs/dbraw/zinc/46/99/02/1135469902.db2.gz KARGLQCAXVGASV-GOSISDBHSA-N 1 1 286.419 3.752 20 30 CHEDMO C#C[C@H](OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001224827940 1135487212 /nfs/dbraw/zinc/48/72/12/1135487212.db2.gz YXUYJZQPWFKHPA-OALUTQOASA-N 1 1 285.431 3.573 20 30 CHEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cccnc1C[NH+](C)C ZINC001225277952 1135533950 /nfs/dbraw/zinc/53/39/50/1135533950.db2.gz KZGDBEDKHFVJIX-VKJFTORMSA-N 1 1 288.435 3.903 20 30 CHEDMO CCCCCCCCN1CCC2(CCC[NH2+]2)CC1 ZINC001226785441 1135741318 /nfs/dbraw/zinc/74/13/18/1135741318.db2.gz ULJOAIZHMPNHMS-UHFFFAOYSA-N 1 1 252.446 3.565 20 30 CHEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H](C)C#N ZINC000268910193 262959981 /nfs/dbraw/zinc/95/99/81/262959981.db2.gz MVKHHMVQKUEBCU-GHMZBOCLSA-N 1 1 281.197 3.602 20 30 CHEDMO C[C@H](c1cccc(Br)c1)[N@H+](C)C[C@H](C)C#N ZINC000268910193 262959983 /nfs/dbraw/zinc/95/99/83/262959983.db2.gz MVKHHMVQKUEBCU-GHMZBOCLSA-N 1 1 281.197 3.602 20 30 CHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CC1(C#N)CC1 ZINC000352246181 533026626 /nfs/dbraw/zinc/02/66/26/533026626.db2.gz NGDKTWIQGPFHFQ-GDBMZVCRSA-N 1 1 284.403 3.772 20 30 CHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CC1(C#N)CC1 ZINC000352246181 533026632 /nfs/dbraw/zinc/02/66/32/533026632.db2.gz NGDKTWIQGPFHFQ-GDBMZVCRSA-N 1 1 284.403 3.772 20 30 CHEDMO Cc1nc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)cs1 ZINC000189779186 262176058 /nfs/dbraw/zinc/17/60/58/262176058.db2.gz HHLMOTLTXRTBBJ-CQSZACIVSA-N 1 1 277.437 3.918 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000179653874 260061053 /nfs/dbraw/zinc/06/10/53/260061053.db2.gz WFEHTUXQCZNKMB-CQSZACIVSA-N 1 1 280.371 3.760 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000347242845 533497177 /nfs/dbraw/zinc/49/71/77/533497177.db2.gz BOOARBLAZVKFOS-KRWDZBQOSA-N 1 1 278.355 3.514 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000347242845 533497180 /nfs/dbraw/zinc/49/71/80/533497180.db2.gz BOOARBLAZVKFOS-KRWDZBQOSA-N 1 1 278.355 3.514 20 30 CHEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)C(C)(C)C)cc1 ZINC000344237312 533548681 /nfs/dbraw/zinc/54/86/81/533548681.db2.gz NTPLSVAUVXHHIA-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000343584383 224804843 /nfs/dbraw/zinc/80/48/43/224804843.db2.gz OHPIVMCETSWOJG-JTQLQIEISA-N 1 1 268.282 3.660 20 30 CHEDMO Cc1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000347218036 226089654 /nfs/dbraw/zinc/08/96/54/226089654.db2.gz HPIAXWPTXIBXBQ-LIRRHRJNSA-N 1 1 291.398 3.845 20 30 CHEDMO N#C[C@H]1CC[C@@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000336630916 227222174 /nfs/dbraw/zinc/22/21/74/227222174.db2.gz QTTYNQBWYYMNCS-SUMWQHHRSA-N 1 1 270.351 3.607 20 30 CHEDMO Cc1ccccc1[C@H]([NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352837554 227312165 /nfs/dbraw/zinc/31/21/65/227312165.db2.gz BJJNMHUZCONEDS-MRXNPFEDSA-N 1 1 285.416 3.810 20 30 CHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C3CC3)cs1)CC2 ZINC000353256256 228074734 /nfs/dbraw/zinc/07/47/34/228074734.db2.gz OSTJPKLCZUORBY-OAHLLOKOSA-N 1 1 295.411 3.669 20 30 CHEDMO C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1(C)C ZINC000336010738 228177854 /nfs/dbraw/zinc/17/78/54/228177854.db2.gz MCNYQKVQENZTQU-WFASDCNBSA-N 1 1 285.391 3.503 20 30 CHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC1(C#N)CC1 ZINC000352246183 228206237 /nfs/dbraw/zinc/20/62/37/228206237.db2.gz NGDKTWIQGPFHFQ-HOCLYGCPSA-N 1 1 284.403 3.772 20 30 CHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC1(C#N)CC1 ZINC000352246183 228206238 /nfs/dbraw/zinc/20/62/38/228206238.db2.gz NGDKTWIQGPFHFQ-HOCLYGCPSA-N 1 1 284.403 3.772 20 30 CHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1c(F)cccc1F ZINC000037748619 260115992 /nfs/dbraw/zinc/11/59/92/260115992.db2.gz POKHOZIRKAZGRV-NSHDSACASA-N 1 1 272.298 3.687 20 30 CHEDMO C=CCCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000297416604 260126584 /nfs/dbraw/zinc/12/65/84/260126584.db2.gz UKNDAZUZWDHEAP-INIZCTEOSA-N 1 1 297.402 3.568 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cccnc1 ZINC000298035811 260141050 /nfs/dbraw/zinc/14/10/50/260141050.db2.gz GBTNJWYIQJRSDE-HNNXBMFYSA-N 1 1 282.387 3.839 20 30 CHEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000068482339 260256272 /nfs/dbraw/zinc/25/62/72/260256272.db2.gz OPSYVKRUZKUWJA-ZJUUUORDSA-N 1 1 272.270 3.538 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000497141491 260293449 /nfs/dbraw/zinc/29/34/49/260293449.db2.gz DXCGSGCLLUZCDO-UHFFFAOYSA-N 1 1 277.408 3.738 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706930 260378258 /nfs/dbraw/zinc/37/82/58/260378258.db2.gz GSABTLCYLKDRIJ-LBPRGKRZSA-N 1 1 281.197 3.539 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2sccc2[C@H]1C ZINC000130445122 260396082 /nfs/dbraw/zinc/39/60/82/260396082.db2.gz ZJUYIMDENZGXFI-GFCCVEGCSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000130445122 260396080 /nfs/dbraw/zinc/39/60/80/260396080.db2.gz ZJUYIMDENZGXFI-GFCCVEGCSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)C2CC2)cc1 ZINC000157448501 260840231 /nfs/dbraw/zinc/84/02/31/260840231.db2.gz LECXORAPHQVABY-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)ccc1F ZINC000444730222 261139812 /nfs/dbraw/zinc/13/98/12/261139812.db2.gz DUIYIKCZDHQGQD-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C=CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000173723754 261168822 /nfs/dbraw/zinc/16/88/22/261168822.db2.gz RCSCHFCJYUWCTL-UHFFFAOYSA-N 1 1 292.448 3.510 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCO[C@H]2CCCCO2)CCCC1(C)C ZINC000444783970 261178598 /nfs/dbraw/zinc/17/85/98/261178598.db2.gz MGFORZCDLYULLM-HOTGVXAUSA-N 1 1 281.440 3.596 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2nc(C(C)(C)C)no2)CCCC1(C)C ZINC000444791887 261182010 /nfs/dbraw/zinc/18/20/10/261182010.db2.gz NNBFERIYVRKLGZ-ZDUSSCGKSA-N 1 1 291.439 3.934 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C(C)(C)C)no2)CCCC1(C)C ZINC000444791887 261182012 /nfs/dbraw/zinc/18/20/12/261182012.db2.gz NNBFERIYVRKLGZ-ZDUSSCGKSA-N 1 1 291.439 3.934 20 30 CHEDMO C=CCC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccco1 ZINC000514083481 261282234 /nfs/dbraw/zinc/28/22/34/261282234.db2.gz LLKDDELMTFCYOM-HNNXBMFYSA-N 1 1 276.424 3.751 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCC(C)(C)C#N ZINC000174843497 261586180 /nfs/dbraw/zinc/58/61/80/261586180.db2.gz ODMSURBGIOYIIP-NVXWUHKLSA-N 1 1 286.419 3.778 20 30 CHEDMO CC(C)c1[nH+]ccn1Cc1ccccc1C(C)(C)C#N ZINC000182824492 261952480 /nfs/dbraw/zinc/95/24/80/261952480.db2.gz KUYVQGWYLFUCKY-UHFFFAOYSA-N 1 1 267.376 3.856 20 30 CHEDMO CCCCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000184097678 262009095 /nfs/dbraw/zinc/00/90/95/262009095.db2.gz HLHUNBAVAYRGRI-HNNXBMFYSA-N 1 1 290.407 3.656 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000184097857 262009155 /nfs/dbraw/zinc/00/91/55/262009155.db2.gz ROQDUFXHCXJRCI-CYBMUJFWSA-N 1 1 282.334 3.687 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(C)cs1 ZINC000184417766 262018977 /nfs/dbraw/zinc/01/89/77/262018977.db2.gz NCEFFCMFIBZIRM-CQSZACIVSA-N 1 1 289.379 3.703 20 30 CHEDMO CC[C@@H](C#N)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000187025581 262121518 /nfs/dbraw/zinc/12/15/18/262121518.db2.gz OQFBZYXVCSTHSV-ZFWWWQNUSA-N 1 1 271.408 3.761 20 30 CHEDMO C[N@@H+](CCC1CC1)Cc1ccc(Br)cc1C#N ZINC000310225394 262125222 /nfs/dbraw/zinc/12/52/22/262125222.db2.gz GAXPSTHMOBKLCM-UHFFFAOYSA-N 1 1 293.208 3.553 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000161522229 262316620 /nfs/dbraw/zinc/31/66/20/262316620.db2.gz LWMNLGUTWBORRH-ZDUSSCGKSA-N 1 1 286.350 3.636 20 30 CHEDMO C=CCCC[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000522775339 262340556 /nfs/dbraw/zinc/34/05/56/262340556.db2.gz OFZYAARYFZALQI-HNNXBMFYSA-N 1 1 261.409 3.914 20 30 CHEDMO CC(C)(C#N)CCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365436334 262364948 /nfs/dbraw/zinc/36/49/48/262364948.db2.gz ZCEUBUNVSVUFDX-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337197376 262432113 /nfs/dbraw/zinc/43/21/13/262432113.db2.gz XAVDCYBQQMMICG-HZPDHXFCSA-N 1 1 278.440 3.597 20 30 CHEDMO CCCC[N@@H+](CCOCCC#N)[C@H](C)c1ccccc1 ZINC000338937738 262572256 /nfs/dbraw/zinc/57/22/56/262572256.db2.gz HUSQRHXCZFEUKI-MRXNPFEDSA-N 1 1 274.408 3.780 20 30 CHEDMO CC(C)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCCO1 ZINC000411772883 262706168 /nfs/dbraw/zinc/70/61/68/262706168.db2.gz ROVVLWCKNLREFX-MRXNPFEDSA-N 1 1 278.440 3.597 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccc(C#N)cc1 ZINC000414217436 262827147 /nfs/dbraw/zinc/82/71/47/262827147.db2.gz BQIBHHIBBDJEBI-FZMZJTMJSA-N 1 1 271.389 3.817 20 30 CHEDMO C[N@@H+](CCCCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420797 263016688 /nfs/dbraw/zinc/01/66/88/263016688.db2.gz JUENPPKRUZJZNK-DLBZAZTESA-N 1 1 290.382 3.671 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000276290719 263035746 /nfs/dbraw/zinc/03/57/46/263035746.db2.gz HRDZCCZJXAXMIP-LLVKDONJSA-N 1 1 270.298 3.829 20 30 CHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H](C)CCC#N)C3)nc2c1 ZINC000276306125 263035948 /nfs/dbraw/zinc/03/59/48/263035948.db2.gz LDEPZMVMTUBMGQ-HUUCEWRRSA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306125 263035949 /nfs/dbraw/zinc/03/59/49/263035949.db2.gz LDEPZMVMTUBMGQ-HUUCEWRRSA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306125 263035950 /nfs/dbraw/zinc/03/59/50/263035950.db2.gz LDEPZMVMTUBMGQ-HUUCEWRRSA-N 1 1 296.418 3.743 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000277690185 263043008 /nfs/dbraw/zinc/04/30/08/263043008.db2.gz LFSMMIJMDMCOAT-UHFFFAOYSA-N 1 1 299.462 3.919 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2cccc(F)c2C1 ZINC000277770720 263043226 /nfs/dbraw/zinc/04/32/26/263043226.db2.gz 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ZINC001173319338 1132477072 /nfs/dbraw/zinc/47/70/72/1132477072.db2.gz GAATWBOAWDUCBM-UHFFFAOYSA-N 1 1 259.393 3.632 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001208124360 1133880796 /nfs/dbraw/zinc/88/07/96/1133880796.db2.gz MWWDQXAMXLRZTA-ZNFPLGDCSA-N 1 1 251.414 3.814 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001208120546 1133880812 /nfs/dbraw/zinc/88/08/12/1133880812.db2.gz RWWPROUFTCJETI-RJCHQFKYSA-N 1 1 267.457 3.996 20 30 CHEDMO C=CCCCCCCC[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001209438066 1134020842 /nfs/dbraw/zinc/02/08/42/1134020842.db2.gz DJMYEILJLBHRDT-HOTGVXAUSA-N 1 1 253.430 3.606 20 30 CHEDMO C=CCCCCCCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001209440822 1134021200 /nfs/dbraw/zinc/02/12/00/1134021200.db2.gz DVHYBFODRMJDDW-KRWDZBQOSA-N 1 1 264.457 3.541 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001209440822 1134021208 /nfs/dbraw/zinc/02/12/08/1134021208.db2.gz DVHYBFODRMJDDW-KRWDZBQOSA-N 1 1 264.457 3.541 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001209443594 1134022916 /nfs/dbraw/zinc/02/29/16/1134022916.db2.gz WHEZQPJIXGYJCJ-IYBDPMFKSA-N 1 1 251.414 3.766 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@@](C)(O)C1 ZINC001209444586 1134022978 /nfs/dbraw/zinc/02/29/78/1134022978.db2.gz VFWOJYJIJGLKKR-MRXNPFEDSA-N 1 1 253.430 3.750 20 30 CHEDMO CCCCCCCCCO[C@H]1CCc2[nH+]ccn2C1 ZINC001224392215 1135444488 /nfs/dbraw/zinc/44/44/88/1135444488.db2.gz IKOXJKABBXHZFH-HNNXBMFYSA-N 1 1 264.413 3.965 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000536629452 1125510942 /nfs/dbraw/zinc/51/09/42/1125510942.db2.gz MTGRJDLMIKQFHO-LJQANCHMSA-N 1 1 294.398 3.984 20 30 CHEDMO CCc1ccc(C[N@@H+](Cc2ccc(C#N)o2)C2CC2)cc1 ZINC000130198714 1125540768 /nfs/dbraw/zinc/54/07/68/1125540768.db2.gz WEEVXEURLBGUTI-UHFFFAOYSA-N 1 1 280.371 3.878 20 30 CHEDMO CC#CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000532712398 1125546626 /nfs/dbraw/zinc/54/66/26/1125546626.db2.gz KYGCPOZNMWSTLW-KRWDZBQOSA-N 1 1 252.361 3.718 20 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VLZVGOUQPVVCEW-SWLSCSKDSA-N 1 1 297.851 3.816 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1C[C@]12CCOC2 ZINC000885931562 1125626777 /nfs/dbraw/zinc/62/67/77/1125626777.db2.gz VLZVGOUQPVVCEW-WFASDCNBSA-N 1 1 297.851 3.816 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1C[C@@]12CCOC2 ZINC000885931560 1125626812 /nfs/dbraw/zinc/62/68/12/1125626812.db2.gz VLZVGOUQPVVCEW-IUODEOHRSA-N 1 1 297.851 3.816 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886204730 1125661740 /nfs/dbraw/zinc/66/17/40/1125661740.db2.gz OPYSLANYUZTIJD-BPQIPLTHSA-N 1 1 298.430 3.514 20 30 CHEDMO CC[C@@H](C#N)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000249117486 1125679261 /nfs/dbraw/zinc/67/92/61/1125679261.db2.gz OQFBZYXVCSTHSV-HIFRSBDPSA-N 1 1 271.408 3.761 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000886540653 1125686698 /nfs/dbraw/zinc/68/66/98/1125686698.db2.gz IVTWPQKFFYYTDO-ZBFHGGJFSA-N 1 1 254.377 3.763 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000886540273 1125687516 /nfs/dbraw/zinc/68/75/16/1125687516.db2.gz BTBRHKSDTQXDPK-BLLLJJGKSA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000886540273 1125687521 /nfs/dbraw/zinc/68/75/21/1125687521.db2.gz BTBRHKSDTQXDPK-BLLLJJGKSA-N 1 1 283.400 3.598 20 30 CHEDMO N#CCC[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1 ZINC000886553663 1125690263 /nfs/dbraw/zinc/69/02/63/1125690263.db2.gz SNPCKLNQMGIKRZ-SJORKVTESA-N 1 1 277.371 3.704 20 30 CHEDMO C[N@H+](Cc1csc2ccccc12)CC1(C#N)CC1 ZINC000259007922 1125730254 /nfs/dbraw/zinc/73/02/54/1125730254.db2.gz XCSWXDUFKLJUMT-UHFFFAOYSA-N 1 1 256.374 3.637 20 30 CHEDMO C[N@@H+](Cc1csc2ccccc12)CC1(C#N)CC1 ZINC000259007922 1125730257 /nfs/dbraw/zinc/73/02/57/1125730257.db2.gz XCSWXDUFKLJUMT-UHFFFAOYSA-N 1 1 256.374 3.637 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCCC(C)(C)C#N ZINC000087608645 1125731387 /nfs/dbraw/zinc/73/13/87/1125731387.db2.gz ALGRBSIOOCCKNL-LBPRGKRZSA-N 1 1 262.422 3.997 20 30 CHEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cncc(F)c1 ZINC000090664663 1125743489 /nfs/dbraw/zinc/74/34/89/1125743489.db2.gz XBBPJIYIPVSUAJ-GUYCJALGSA-N 1 1 283.350 3.916 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000093498048 1125768336 /nfs/dbraw/zinc/76/83/36/1125768336.db2.gz WJUXFNZPDCYHGS-UHFFFAOYSA-N 1 1 284.407 3.650 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000736945546 1129381969 /nfs/dbraw/zinc/38/19/69/1129381969.db2.gz GGIQNEVGNXMOLU-UHFFFAOYSA-N 1 1 253.748 3.758 20 30 CHEDMO CCOc1ccc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001238708451 1131235250 /nfs/dbraw/zinc/23/52/50/1131235250.db2.gz NZHZBOGYFIHHPS-OAHLLOKOSA-N 1 1 272.392 3.519 20 30 CHEDMO C=CCCCC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001169383180 1129724411 /nfs/dbraw/zinc/72/44/11/1129724411.db2.gz NVWSDHCYDYXELI-HNNXBMFYSA-N 1 1 296.455 3.578 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCO[C@@H]1CCCC[C@H]1C ZINC001169862351 1129762604 /nfs/dbraw/zinc/76/26/04/1129762604.db2.gz DRJMZJYLLTXTBM-BZUAXINKSA-N 1 1 251.414 3.622 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@@H]2CCCO2)no1 ZINC000900012013 1129856963 /nfs/dbraw/zinc/85/69/63/1129856963.db2.gz PEASJYQGMOZEOC-STQMWFEESA-N 1 1 281.400 3.672 20 30 CHEDMO C=CC[N@H+](Cc1cc2cccc(OC)c2o1)C(C)C ZINC000768547788 1129864094 /nfs/dbraw/zinc/86/40/94/1129864094.db2.gz PESMBDBDKQOCII-UHFFFAOYSA-N 1 1 259.349 3.838 20 30 CHEDMO C#CC[N@H+](Cc1cnc(Cl)c(C)c1)C1CCCCC1 ZINC000769146451 1129892565 /nfs/dbraw/zinc/89/25/65/1129892565.db2.gz ZSHUYHUJKLWDJG-UHFFFAOYSA-N 1 1 276.811 3.811 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1OC(F)(F)F ZINC000903100030 1130112587 /nfs/dbraw/zinc/11/25/87/1130112587.db2.gz GSZNWTBJPTWUNH-SNVBAGLBSA-N 1 1 286.297 3.786 20 30 CHEDMO C=CC[N@@H+](CCCO[C@H]1CCCCO1)Cc1cccs1 ZINC000338262255 1126728180 /nfs/dbraw/zinc/72/81/80/1126728180.db2.gz HWIOYHRMZVPKHE-INIZCTEOSA-N 1 1 295.448 3.669 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000338360503 1126738149 /nfs/dbraw/zinc/73/81/49/1126738149.db2.gz XZRHJZASQJCVRL-UHFFFAOYSA-N 1 1 296.345 3.970 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000790360156 1130312219 /nfs/dbraw/zinc/31/22/19/1130312219.db2.gz DJTWVFWFHMQQDA-INIZCTEOSA-N 1 1 283.456 3.617 20 30 CHEDMO N#CCCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000265453499 1126740083 /nfs/dbraw/zinc/74/00/83/1126740083.db2.gz SXPYTWVYAMOOFL-UHFFFAOYSA-N 1 1 260.356 3.526 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000159919548 1126758315 /nfs/dbraw/zinc/75/83/15/1126758315.db2.gz QVWHBZRCHJVPKL-INIZCTEOSA-N 1 1 271.408 3.857 20 30 CHEDMO C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CC)cc(OC)c1O ZINC000482496234 1126761668 /nfs/dbraw/zinc/76/16/68/1126761668.db2.gz OBZZRMXSMBBULM-XJKSGUPXSA-N 1 1 289.419 3.750 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000174847854 1126773843 /nfs/dbraw/zinc/77/38/43/1126773843.db2.gz SJUQEOHVIAFSBX-UHFFFAOYSA-N 1 1 281.403 3.856 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1F ZINC000483290366 1126778468 /nfs/dbraw/zinc/77/84/68/1126778468.db2.gz PDZXFGFLGIBJDW-UHFFFAOYSA-N 1 1 272.367 3.709 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1(OC)CCCC1 ZINC000483267883 1126777348 /nfs/dbraw/zinc/77/73/48/1126777348.db2.gz DFBBUQNDPMJDDV-UHFFFAOYSA-N 1 1 284.403 3.505 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000483689644 1126797395 /nfs/dbraw/zinc/79/73/95/1126797395.db2.gz VIBLOYPONHBJQF-NXHRZFHOSA-N 1 1 253.389 3.549 20 30 CHEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000924788619 1126798227 /nfs/dbraw/zinc/79/82/27/1126798227.db2.gz OIMWMWRFQRLCJJ-LLVKDONJSA-N 1 1 289.404 3.821 20 30 CHEDMO Fc1cccc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000483947881 1126806952 /nfs/dbraw/zinc/80/69/52/1126806952.db2.gz APKKHKYNTUOQTE-SFHVURJKSA-N 1 1 279.358 3.667 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000177792409 1126805516 /nfs/dbraw/zinc/80/55/16/1126805516.db2.gz VXQLBLDAYHWRIQ-SFHVURJKSA-N 1 1 299.462 3.917 20 30 CHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000483923961 1126805763 /nfs/dbraw/zinc/80/57/63/1126805763.db2.gz FNKIASZPXSABJA-FXAWDEMLSA-N 1 1 275.395 3.916 20 30 CHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCC#N ZINC000483936556 1126805967 /nfs/dbraw/zinc/80/59/67/1126805967.db2.gz AELLTXPZOQOHTD-KRWDZBQOSA-N 1 1 258.409 3.942 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483963302 1126806091 /nfs/dbraw/zinc/80/60/91/1126806091.db2.gz QMWVRMQPYUFQMV-IFIJOSMWSA-N 1 1 272.367 3.850 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000484027199 1126808251 /nfs/dbraw/zinc/80/82/51/1126808251.db2.gz PHVLTMZWBKZMRS-UHFFFAOYSA-N 1 1 275.395 3.702 20 30 CHEDMO C=CC[C@H](OC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001224701848 1126813305 /nfs/dbraw/zinc/81/33/05/1126813305.db2.gz IRJRYAGTZZKMIM-IRXDYDNUSA-N 1 1 259.393 3.805 20 30 CHEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000484573470 1126828255 /nfs/dbraw/zinc/82/82/55/1126828255.db2.gz KCCOFIPEQUWXOX-LLVKDONJSA-N 1 1 271.763 3.675 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000484573472 1126828678 /nfs/dbraw/zinc/82/86/78/1126828678.db2.gz KCCOFIPEQUWXOX-NSHDSACASA-N 1 1 271.763 3.675 20 30 CHEDMO C=CC[N@H+](CC(=O)NC1CCCCC1)CC1CCCCC1 ZINC000484573900 1126828700 /nfs/dbraw/zinc/82/87/00/1126828700.db2.gz SAMMVZRRCKUWDQ-UHFFFAOYSA-N 1 1 292.467 3.504 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179850382 1126835613 /nfs/dbraw/zinc/83/56/13/1126835613.db2.gz VVAPZKMYKBGAJY-UHFFFAOYSA-N 1 1 281.403 3.856 20 30 CHEDMO CCCCN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811638301 1130627182 /nfs/dbraw/zinc/62/71/82/1130627182.db2.gz WCWGZOFPTNAZOX-UHFFFAOYSA-N 1 1 288.222 3.783 20 30 CHEDMO CC(C)[N@H+]1CC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234427621 1130643369 /nfs/dbraw/zinc/64/33/69/1130643369.db2.gz CTJOCPGRYRCLRT-NSHDSACASA-N 1 1 299.201 3.727 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cscn2)no1 ZINC000904707641 1126867603 /nfs/dbraw/zinc/86/76/03/1126867603.db2.gz JLQOFFUOWIJGSX-NSHDSACASA-N 1 1 294.424 3.944 20 30 CHEDMO C=CC[N@H+]([C@@H](C)Cc1ccccn1)C1CCCCC1 ZINC001256424724 1130675605 /nfs/dbraw/zinc/67/56/05/1130675605.db2.gz MRFQDDVDLSBSLJ-HNNXBMFYSA-N 1 1 258.409 3.833 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(C)C)nc2)no1 ZINC000904695333 1126867810 /nfs/dbraw/zinc/86/78/10/1126867810.db2.gz NYCMALFHMVLOMR-CYBMUJFWSA-N 1 1 286.379 3.611 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000668494094 1126918052 /nfs/dbraw/zinc/91/80/52/1126918052.db2.gz VTJBWFGAQHWXJG-ZDUSSCGKSA-N 1 1 287.432 3.926 20 30 CHEDMO C=CCCCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000569097521 1126930090 /nfs/dbraw/zinc/93/00/90/1126930090.db2.gz QCQIBPXFAIMTMK-MRXNPFEDSA-N 1 1 263.425 3.624 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000189896973 1126935817 /nfs/dbraw/zinc/93/58/17/1126935817.db2.gz SDVULCKJJAWBLQ-MRXNPFEDSA-N 1 1 297.446 3.570 20 30 CHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2csc(Cl)c2)CC1 ZINC000191273147 1126950060 /nfs/dbraw/zinc/95/00/60/1126950060.db2.gz GMTCZDLHQISJQS-NSHDSACASA-N 1 1 284.856 3.703 20 30 CHEDMO CCCC[N@H+](C)c1ccc(NCc2cc(C#N)n(C)c2)cc1 ZINC000191428743 1126952028 /nfs/dbraw/zinc/95/20/28/1126952028.db2.gz PTPATNDQPWFWOS-UHFFFAOYSA-N 1 1 296.418 3.745 20 30 CHEDMO CCCC[N@@H+](C)c1ccc(NCc2cc(C#N)n(C)c2)cc1 ZINC000191428743 1126952032 /nfs/dbraw/zinc/95/20/32/1126952032.db2.gz PTPATNDQPWFWOS-UHFFFAOYSA-N 1 1 296.418 3.745 20 30 CHEDMO N#CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485859060 1126958341 /nfs/dbraw/zinc/95/83/41/1126958341.db2.gz LUVLSJLCQIRORH-GVDBMIGSSA-N 1 1 254.377 3.558 20 30 CHEDMO CCC(CC)[C@@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037241166 1126976233 /nfs/dbraw/zinc/97/62/33/1126976233.db2.gz JFFFSJSOEMDSNJ-KBXCAEBGSA-N 1 1 287.451 3.575 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000267166914 1126994448 /nfs/dbraw/zinc/99/44/48/1126994448.db2.gz BHPHRIJHFHPIRK-CQSZACIVSA-N 1 1 295.386 3.545 20 30 CHEDMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000268855303 1127026607 /nfs/dbraw/zinc/02/66/07/1127026607.db2.gz GPTRPAQCXKXRNR-CYBMUJFWSA-N 1 1 298.361 3.947 20 30 CHEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC000042316453 1127038059 /nfs/dbraw/zinc/03/80/59/1127038059.db2.gz YVTZYXORINNHQY-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC000042316453 1127038061 /nfs/dbraw/zinc/03/80/61/1127038061.db2.gz YVTZYXORINNHQY-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C=CCCCCC[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000488155933 1127059250 /nfs/dbraw/zinc/05/92/50/1127059250.db2.gz KUXVHORWBLOPAX-UHFFFAOYSA-N 1 1 292.467 3.600 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000488137749 1127059271 /nfs/dbraw/zinc/05/92/71/1127059271.db2.gz KOJFJFZVWZFICK-STQMWFEESA-N 1 1 279.346 3.511 20 30 CHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000488211126 1127063768 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C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000339193521 1127119166 /nfs/dbraw/zinc/11/91/66/1127119166.db2.gz GZFMHMZTILTKAC-DOTOQJQBSA-N 1 1 286.423 3.534 20 30 CHEDMO COc1cc2c(cc1F)C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000348810255 1127128702 /nfs/dbraw/zinc/12/87/02/1127128702.db2.gz MYFNQTCPYGGZEN-UHFFFAOYSA-N 1 1 290.382 3.522 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000348933129 1127135781 /nfs/dbraw/zinc/13/57/81/1127135781.db2.gz HTYFGPIGIIWUQF-LJQANCHMSA-N 1 1 294.398 3.984 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(OC)c1Cl ZINC001237190755 1131068342 /nfs/dbraw/zinc/06/83/42/1131068342.db2.gz BBIIGYINUDFAFK-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000156354370 1127153347 /nfs/dbraw/zinc/15/33/47/1127153347.db2.gz NTOFCFZWZARSLS-SFHVURJKSA-N 1 1 298.430 3.638 20 30 CHEDMO CC(C)c1cnc(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000571403054 1127159786 /nfs/dbraw/zinc/15/97/86/1127159786.db2.gz UHTCDZFUZCYQSX-UHFFFAOYSA-N 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CCOC1CC2(C1)CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000285598094 1127238969 /nfs/dbraw/zinc/23/89/69/1127238969.db2.gz WLSSCJHTDRUPKC-NNGSBXSVSA-N 1 1 284.403 3.510 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)CC1CC(OCC)C1 ZINC000286188103 1127261938 /nfs/dbraw/zinc/26/19/38/1127261938.db2.gz ZSOHSXVEIFSBDH-UHFFFAOYSA-N 1 1 277.383 3.629 20 30 CHEDMO C=CCCC[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000353739834 1127273784 /nfs/dbraw/zinc/27/37/84/1127273784.db2.gz OPVTWIPGMWATJA-UHFFFAOYSA-N 1 1 283.419 3.887 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000590763904 1127270374 /nfs/dbraw/zinc/27/03/74/1127270374.db2.gz PVNQXZNWXUHKEJ-QGZVFWFLSA-N 1 1 286.444 3.586 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)nc1 ZINC000590754508 1127270740 /nfs/dbraw/zinc/27/07/40/1127270740.db2.gz FGHHMWUETOWKEQ-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO C[N@H+](Cc1cccc(-c2ccccn2)c1)CC(C)(C)C#N ZINC000354012216 1127284707 /nfs/dbraw/zinc/28/47/07/1127284707.db2.gz YFHGDVHODXUXNA-UHFFFAOYSA-N 1 1 279.387 3.730 20 30 CHEDMO C[N@@H+](Cc1cccc(-c2ccccn2)c1)CC(C)(C)C#N ZINC000354012216 1127284709 /nfs/dbraw/zinc/28/47/09/1127284709.db2.gz YFHGDVHODXUXNA-UHFFFAOYSA-N 1 1 279.387 3.730 20 30 CHEDMO CC[C@@]1(C)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000354105938 1127292893 /nfs/dbraw/zinc/29/28/93/1127292893.db2.gz GAUZVSWERUVIQC-SFHVURJKSA-N 1 1 286.419 3.991 20 30 CHEDMO C#CCC[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000760821613 1127296134 /nfs/dbraw/zinc/29/61/34/1127296134.db2.gz VRQBYKTWKCNDLE-LLVKDONJSA-N 1 1 255.283 3.722 20 30 CHEDMO C#CCC[N@H+](CC=C)Cc1cc(Br)ccc1F ZINC000760821780 1127297393 /nfs/dbraw/zinc/29/73/93/1127297393.db2.gz RKQOIJAUAIQVIF-UHFFFAOYSA-N 1 1 296.183 3.600 20 30 CHEDMO C#CCC[N@@H+](CC=C)Cc1cc(Br)ccc1F ZINC000760821780 1127297395 /nfs/dbraw/zinc/29/73/95/1127297395.db2.gz RKQOIJAUAIQVIF-UHFFFAOYSA-N 1 1 296.183 3.600 20 30 CHEDMO C=CCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287420811 1127304526 /nfs/dbraw/zinc/30/45/26/1127304526.db2.gz 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/nfs/dbraw/zinc/32/71/67/1127327167.db2.gz UNZLUMZGNQQEJU-UHFFFAOYSA-N 1 1 254.377 3.603 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2C#N)cc1C ZINC000592062794 1127332482 /nfs/dbraw/zinc/33/24/82/1127332482.db2.gz SQPVYXAONSFXNS-LJQANCHMSA-N 1 1 291.398 3.907 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1C ZINC000592062794 1127332485 /nfs/dbraw/zinc/33/24/85/1127332485.db2.gz SQPVYXAONSFXNS-LJQANCHMSA-N 1 1 291.398 3.907 20 30 CHEDMO CC[N@@H+](CCC[C@@H]1CCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592063862 1127334097 /nfs/dbraw/zinc/33/40/97/1127334097.db2.gz KQVROFGZAUEHPB-DOTOQJQBSA-N 1 1 286.419 3.758 20 30 CHEDMO Cc1cccc(C[N@H+](Cc2ccncc2C#N)CC(C)C)c1 ZINC000592068145 1127334549 /nfs/dbraw/zinc/33/45/49/1127334549.db2.gz NPPFUMNXLUOKJA-UHFFFAOYSA-N 1 1 293.414 3.920 20 30 CHEDMO Cc1cccc(C[N@@H+](Cc2ccncc2C#N)CC(C)C)c1 ZINC000592068145 1127334551 /nfs/dbraw/zinc/33/45/51/1127334551.db2.gz NPPFUMNXLUOKJA-UHFFFAOYSA-N 1 1 293.414 3.920 20 30 CHEDMO Cc1ccccc1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592069547 1127334820 /nfs/dbraw/zinc/33/48/20/1127334820.db2.gz SSKSZDDZHJAIQN-UHFFFAOYSA-N 1 1 291.398 3.641 20 30 CHEDMO N#Cc1cnccc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000592080453 1127336248 /nfs/dbraw/zinc/33/62/48/1127336248.db2.gz RGSNKKKQPWQBGS-UHFFFAOYSA-N 1 1 297.789 3.776 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000592122910 1127336463 /nfs/dbraw/zinc/33/64/63/1127336463.db2.gz SSBBPPSCNYPOON-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000592122910 1127336468 /nfs/dbraw/zinc/33/64/68/1127336468.db2.gz SSBBPPSCNYPOON-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO Cc1ccccc1C1([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000592139846 1127339325 /nfs/dbraw/zinc/33/93/25/1127339325.db2.gz KLMZTCVRNQUGOW-UHFFFAOYSA-N 1 1 280.346 3.785 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136383 1127339651 /nfs/dbraw/zinc/33/96/51/1127339651.db2.gz QDRVPXALTBCYOY-KXBFYZLASA-N 1 1 292.382 3.773 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195898 1127344619 /nfs/dbraw/zinc/34/46/19/1127344619.db2.gz VNOBHRRAOWJTKZ-HUUCEWRRSA-N 1 1 284.403 3.653 20 30 CHEDMO CC[C@@H](OCC[N@H+](C[C@@H](C)C#N)C1CC1)c1ccccc1 ZINC000593019307 1127365176 /nfs/dbraw/zinc/36/51/76/1127365176.db2.gz UKVOCOSXGZCDKV-MAUKXSAKSA-N 1 1 286.419 3.778 20 30 CHEDMO CC[C@@H](OCC[N@@H+](C[C@@H](C)C#N)C1CC1)c1ccccc1 ZINC000593019307 1127365179 /nfs/dbraw/zinc/36/51/79/1127365179.db2.gz UKVOCOSXGZCDKV-MAUKXSAKSA-N 1 1 286.419 3.778 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000593055742 1127370016 /nfs/dbraw/zinc/37/00/16/1127370016.db2.gz OFUWXEWCGDFVRW-RHSMWYFYSA-N 1 1 272.392 3.509 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CC12CCC2 ZINC000357018621 1127386703 /nfs/dbraw/zinc/38/67/03/1127386703.db2.gz ALNKNPJVSKBMBN-ZDUSSCGKSA-N 1 1 272.367 3.709 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cnc([C@@H](C)O)s2)CCCC1(C)C ZINC000289850657 1127385144 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C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000059371403 1127439474 /nfs/dbraw/zinc/43/94/74/1127439474.db2.gz RSUSHULNNNLJEG-AWEZNQCLSA-N 1 1 298.361 3.769 20 30 CHEDMO N#CC1(C[NH2+]Cc2sccc2Cl)CCCCC1 ZINC000594981329 1127443209 /nfs/dbraw/zinc/44/32/09/1127443209.db2.gz NFOAHRSCRYMYCB-UHFFFAOYSA-N 1 1 268.813 3.965 20 30 CHEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000595080777 1127453645 /nfs/dbraw/zinc/45/36/45/1127453645.db2.gz NYVVTSLIMVCUJT-MAUKXSAKSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000595080777 1127453646 /nfs/dbraw/zinc/45/36/46/1127453646.db2.gz NYVVTSLIMVCUJT-MAUKXSAKSA-N 1 1 297.446 3.616 20 30 CHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)ccc1F ZINC000595091000 1127454745 /nfs/dbraw/zinc/45/47/45/1127454745.db2.gz LWTHMXYGWUPPBG-CYBMUJFWSA-N 1 1 290.382 3.959 20 30 CHEDMO C[C@H](c1cccs1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595296152 1127457425 /nfs/dbraw/zinc/45/74/25/1127457425.db2.gz 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DXVVCHQCGHULOY-NHCYSSNCSA-N 1 1 266.435 3.955 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000040477312 1128521871 /nfs/dbraw/zinc/52/18/71/1128521871.db2.gz BKAFSFOXOLLYOG-UHFFFAOYSA-N 1 1 290.366 3.553 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC000566415902 1128544336 /nfs/dbraw/zinc/54/43/36/1128544336.db2.gz BGGYIDPHURJTTD-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC000566415902 1128544338 /nfs/dbraw/zinc/54/43/38/1128544338.db2.gz BGGYIDPHURJTTD-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000609280633 1128555224 /nfs/dbraw/zinc/55/52/24/1128555224.db2.gz HYDFUFDAAYTLRX-INIZCTEOSA-N 1 1 272.392 3.916 20 30 CHEDMO Cc1nc2ccc(C[N@@H+](CCC#N)C(C)C)cc2s1 ZINC000567009644 1128555944 /nfs/dbraw/zinc/55/59/44/1128555944.db2.gz GRLKUBGGZSDOFF-UHFFFAOYSA-N 1 1 273.405 3.729 20 30 CHEDMO Cc1nc2ccc(C[N@H+](CCC#N)C(C)C)cc2s1 ZINC000567009644 1128555946 /nfs/dbraw/zinc/55/59/46/1128555946.db2.gz GRLKUBGGZSDOFF-UHFFFAOYSA-N 1 1 273.405 3.729 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000042146465 1128566678 /nfs/dbraw/zinc/56/66/78/1128566678.db2.gz LDLXUIJQBGNOBX-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCC1(F)F ZINC000567601801 1128568168 /nfs/dbraw/zinc/56/81/68/1128568168.db2.gz BGZFWUKNERKTJB-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC1(F)F ZINC000567601801 1128568171 /nfs/dbraw/zinc/56/81/71/1128568171.db2.gz BGZFWUKNERKTJB-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)Cc2ccccc21 ZINC000918734844 1128569539 /nfs/dbraw/zinc/56/95/39/1128569539.db2.gz GEWBIKCXJQLKCC-HNNXBMFYSA-N 1 1 292.382 3.556 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1Cl ZINC000556262076 1128570247 /nfs/dbraw/zinc/57/02/47/1128570247.db2.gz VNHVXZFJPKTYPJ-QCZZGDTMSA-N 1 1 266.747 3.753 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)nc1 ZINC000780555743 1128586276 /nfs/dbraw/zinc/58/62/76/1128586276.db2.gz RMOCIZRDPIUNHR-UHFFFAOYSA-N 1 1 289.338 3.503 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000570098723 1128615318 /nfs/dbraw/zinc/61/53/18/1128615318.db2.gz VXFGOCRUSROTFW-UHFFFAOYSA-N 1 1 299.374 3.765 20 30 CHEDMO C=CCCCC[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000569070675 1128597576 /nfs/dbraw/zinc/59/75/76/1128597576.db2.gz WPOUARFGXHOWCY-AWEZNQCLSA-N 1 1 285.391 3.667 20 30 CHEDMO C=CCCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000569097519 1128598438 /nfs/dbraw/zinc/59/84/38/1128598438.db2.gz QCQIBPXFAIMTMK-INIZCTEOSA-N 1 1 263.425 3.624 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000130668398 1128615808 /nfs/dbraw/zinc/61/58/08/1128615808.db2.gz WGCJCSMNGZAQHX-SFHVURJKSA-N 1 1 285.362 3.547 20 30 CHEDMO C#CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000155845105 1128616088 /nfs/dbraw/zinc/61/60/88/1128616088.db2.gz CRCVOSKUZVCJOP-UHFFFAOYSA-N 1 1 298.361 3.859 20 30 CHEDMO C#CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000155845105 1128616089 /nfs/dbraw/zinc/61/60/89/1128616089.db2.gz CRCVOSKUZVCJOP-UHFFFAOYSA-N 1 1 298.361 3.859 20 30 CHEDMO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1cc(C#N)ccc1F ZINC000155405647 1128605467 /nfs/dbraw/zinc/60/54/67/1128605467.db2.gz XSMRPASHXUCHEE-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1F ZINC000155398593 1128605688 /nfs/dbraw/zinc/60/56/88/1128605688.db2.gz KAZKKXKUVIHLIB-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1F ZINC000155398593 1128605689 /nfs/dbraw/zinc/60/56/89/1128605689.db2.gz KAZKKXKUVIHLIB-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2n1CC ZINC000569765782 1128608939 /nfs/dbraw/zinc/60/89/39/1128608939.db2.gz ZZYAYTYEDYFCDO-CQSZACIVSA-N 1 1 269.392 3.597 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1CC ZINC000569765782 1128608940 /nfs/dbraw/zinc/60/89/40/1128608940.db2.gz ZZYAYTYEDYFCDO-CQSZACIVSA-N 1 1 269.392 3.597 20 30 CHEDMO Cc1cc(F)cc([C@]2(F)CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC000570298052 1128620757 /nfs/dbraw/zinc/62/07/57/1128620757.db2.gz RBKPPCNUPBXXJQ-JQFCIGGWSA-N 1 1 290.357 3.697 20 30 CHEDMO Cc1cc(F)cc([C@]2(F)CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC000570298052 1128620758 /nfs/dbraw/zinc/62/07/58/1128620758.db2.gz RBKPPCNUPBXXJQ-JQFCIGGWSA-N 1 1 290.357 3.697 20 30 CHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1CCCCC1 ZINC000570850721 1128633776 /nfs/dbraw/zinc/63/37/76/1128633776.db2.gz WAHVOPAWSZJVAU-UHFFFAOYSA-N 1 1 286.419 3.587 20 30 CHEDMO C=CCCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000573196217 1128652459 /nfs/dbraw/zinc/65/24/59/1128652459.db2.gz HYEXSYSGWXEKNM-QGZVFWFLSA-N 1 1 297.402 3.834 20 30 CHEDMO C=CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000573196217 1128652460 /nfs/dbraw/zinc/65/24/60/1128652460.db2.gz HYEXSYSGWXEKNM-QGZVFWFLSA-N 1 1 297.402 3.834 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000573554870 1128656294 /nfs/dbraw/zinc/65/62/94/1128656294.db2.gz FICAIUNBQHMFMQ-CQSZACIVSA-N 1 1 250.411 3.945 20 30 CHEDMO C=CCOCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000573985241 1128660701 /nfs/dbraw/zinc/66/07/01/1128660701.db2.gz OMSFOPXDRGMWBE-DOTOQJQBSA-N 1 1 289.419 3.671 20 30 CHEDMO C#CC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21 ZINC000778984981 1128674408 /nfs/dbraw/zinc/67/44/08/1128674408.db2.gz OEXZQHYRCCNXSI-SFHVURJKSA-N 1 1 295.357 3.654 20 30 CHEDMO Cc1[nH+]ccn1CCCSc1cccc(C#N)c1Cl ZINC000920282709 1128676137 /nfs/dbraw/zinc/67/61/37/1128676137.db2.gz STJHNOFQBFCPDF-UHFFFAOYSA-N 1 1 291.807 3.899 20 30 CHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000048068971 1128678384 /nfs/dbraw/zinc/67/83/84/1128678384.db2.gz CXOQJLSSMLBFBE-WBVHZDCISA-N 1 1 286.419 3.838 20 30 CHEDMO CCC(CC)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000920409538 1128680823 /nfs/dbraw/zinc/68/08/23/1128680823.db2.gz HVPPTRFMEPNUKA-UHFFFAOYSA-N 1 1 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C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404258345 1120176530 /nfs/dbraw/zinc/17/65/30/1120176530.db2.gz NHXJMQLZFGMHMY-FRRDWIJNSA-N 1 1 260.356 3.564 20 30 CHEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1Br ZINC000480764336 1120177525 /nfs/dbraw/zinc/17/75/25/1120177525.db2.gz PBBYZSYQDJFKMJ-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO C=CC[N@H+](CCC#N)[C@@H](C)CCSc1ccccc1 ZINC000428838331 1120184702 /nfs/dbraw/zinc/18/47/02/1120184702.db2.gz YENJMQSATUETAV-HNNXBMFYSA-N 1 1 274.433 3.959 20 30 CHEDMO C=CC[N@@H+](CCC#N)[C@@H](C)CCSc1ccccc1 ZINC000428838331 1120184701 /nfs/dbraw/zinc/18/47/01/1120184701.db2.gz YENJMQSATUETAV-HNNXBMFYSA-N 1 1 274.433 3.959 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2C(F)(F)F)CCCC1 ZINC000405132395 1120189290 /nfs/dbraw/zinc/18/92/90/1120189290.db2.gz FNTPCMXALMETHX-UHFFFAOYSA-N 1 1 282.309 3.879 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC001168657464 1120191720 /nfs/dbraw/zinc/19/17/20/1120191720.db2.gz OHCDGECKAZBDEN-HNNXBMFYSA-N 1 1 258.390 3.940 20 30 CHEDMO C=CCCC[C@@H](C)OC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803855200 1120203302 /nfs/dbraw/zinc/20/33/02/1120203302.db2.gz FDPIIXMZODLTKM-HUUCEWRRSA-N 1 1 267.413 3.539 20 30 CHEDMO CC[C@@](C)([NH2+]Cc1csc(C#N)c1)c1nc(C)cs1 ZINC000921782234 1120210222 /nfs/dbraw/zinc/21/02/22/1120210222.db2.gz PJQLZRWGQWFEFE-CQSZACIVSA-N 1 1 291.445 3.800 20 30 CHEDMO CCC(CC)c1cc(C[NH2+]CC#Cc2ccccc2)on1 ZINC000893064259 1120212878 /nfs/dbraw/zinc/21/28/78/1120212878.db2.gz OUODDMFQJKZBGK-UHFFFAOYSA-N 1 1 282.387 3.720 20 30 CHEDMO C=C(CC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001625891686 1120217016 /nfs/dbraw/zinc/21/70/16/1120217016.db2.gz PVDXUGANPFGFOB-OAHLLOKOSA-N 1 1 286.419 3.966 20 30 CHEDMO Cc1cnc(Cl)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000921803071 1120219558 /nfs/dbraw/zinc/21/95/58/1120219558.db2.gz MIUUDAMHYSYYKC-LBPRGKRZSA-N 1 1 285.778 3.766 20 30 CHEDMO N#CCCCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000338731338 1120220404 /nfs/dbraw/zinc/22/04/04/1120220404.db2.gz ZHUXLMDRBIJJQP-KRWDZBQOSA-N 1 1 254.377 3.832 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000053156887 1120231869 /nfs/dbraw/zinc/23/18/69/1120231869.db2.gz DUKFTYABJDWUGT-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341152995 1120239223 /nfs/dbraw/zinc/23/92/23/1120239223.db2.gz BXOLECPXJBBBLN-INIZCTEOSA-N 1 1 283.350 3.675 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341152995 1120239226 /nfs/dbraw/zinc/23/92/26/1120239226.db2.gz BXOLECPXJBBBLN-INIZCTEOSA-N 1 1 283.350 3.675 20 30 CHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)ccc1C#N ZINC000062785202 1120253957 /nfs/dbraw/zinc/25/39/57/1120253957.db2.gz DKDRHFWUWLLWFH-ZDUSSCGKSA-N 1 1 291.826 3.888 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)ccc1O ZINC000180059565 1120263452 /nfs/dbraw/zinc/26/34/52/1120263452.db2.gz DKQNPJODUPYDDV-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H]2CCCC[C@H]21 ZINC000542969163 1120303254 /nfs/dbraw/zinc/30/32/54/1120303254.db2.gz KQIGJSLRLJGMCP-XOKHGSTOSA-N 1 1 254.377 3.569 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC(C)(C)C1 ZINC000541327271 1120304964 /nfs/dbraw/zinc/30/49/64/1120304964.db2.gz XPRRBYZWZNRSAM-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499549180 1120316712 /nfs/dbraw/zinc/31/67/12/1120316712.db2.gz NGBBUTRTVIJJNR-DLBZAZTESA-N 1 1 292.467 3.988 20 30 CHEDMO CCc1nc(C[N@H+](C)CCCCC(C)(C)C#N)cs1 ZINC000387837697 1120328222 /nfs/dbraw/zinc/32/82/22/1120328222.db2.gz GZYIBEDSZOERMZ-UHFFFAOYSA-N 1 1 279.453 3.857 20 30 CHEDMO CCc1nc(C[N@@H+](C)CCCCC(C)(C)C#N)cs1 ZINC000387837697 1120328226 /nfs/dbraw/zinc/32/82/26/1120328226.db2.gz GZYIBEDSZOERMZ-UHFFFAOYSA-N 1 1 279.453 3.857 20 30 CHEDMO C=C(C)CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000672579211 1120328609 /nfs/dbraw/zinc/32/86/09/1120328609.db2.gz XOXBOLOGMJVOKK-UHFFFAOYSA-N 1 1 254.377 3.813 20 30 CHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499572551 1120333315 /nfs/dbraw/zinc/33/33/15/1120333315.db2.gz HICDVUMDLLKMMJ-INIZCTEOSA-N 1 1 292.467 3.988 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000130943978 1120339557 /nfs/dbraw/zinc/33/95/57/1120339557.db2.gz SMLQPKUMSQQJBD-MRXNPFEDSA-N 1 1 298.411 3.965 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 ZINC000566417916 1120403529 /nfs/dbraw/zinc/40/35/29/1120403529.db2.gz VYXXAAKZJZAURI-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000584728265 1120420030 /nfs/dbraw/zinc/42/00/30/1120420030.db2.gz GXOGJSFWOCJPJU-OAHLLOKOSA-N 1 1 281.359 3.656 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930815952 1120430059 /nfs/dbraw/zinc/43/00/59/1120430059.db2.gz GQGZEDNXCCEAGE-OAHLLOKOSA-N 1 1 280.371 3.577 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCOc1ccccc1C#N ZINC000315372837 1120456765 /nfs/dbraw/zinc/45/67/65/1120456765.db2.gz CAJZQDKVYNAHOG-AWEZNQCLSA-N 1 1 298.361 3.769 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206552 1120462904 /nfs/dbraw/zinc/46/29/04/1120462904.db2.gz RPJWPVBYQVMKTA-GJZGRUSLSA-N 1 1 256.393 3.763 20 30 CHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499701465 1120476624 /nfs/dbraw/zinc/47/66/24/1120476624.db2.gz BMRGNJXHRBKRAY-IRXDYDNUSA-N 1 1 292.467 3.988 20 30 CHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499722770 1120489079 /nfs/dbraw/zinc/48/90/79/1120489079.db2.gz ZICCPFUIGBOFLV-INIZCTEOSA-N 1 1 292.467 3.988 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(Cl)cc12 ZINC001137713028 1120493853 /nfs/dbraw/zinc/49/38/53/1120493853.db2.gz VTAKQOOFLZCRDX-UHFFFAOYSA-N 1 1 275.783 3.947 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(Cl)cc12 ZINC001137713028 1120493855 /nfs/dbraw/zinc/49/38/55/1120493855.db2.gz VTAKQOOFLZCRDX-UHFFFAOYSA-N 1 1 275.783 3.947 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)o1)Cc1cccc(C#N)c1 ZINC000092504204 1120494168 /nfs/dbraw/zinc/49/41/68/1120494168.db2.gz HCISACMHJUKMPH-UHFFFAOYSA-N 1 1 286.762 3.993 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)o1)Cc1cccc(C#N)c1 ZINC000092504204 1120494171 /nfs/dbraw/zinc/49/41/71/1120494171.db2.gz HCISACMHJUKMPH-UHFFFAOYSA-N 1 1 286.762 3.993 20 30 CHEDMO C#CC[C@H]([NH2+][C@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925638211 1120501565 /nfs/dbraw/zinc/50/15/65/1120501565.db2.gz YTIFHLUKZDBKTR-HOTGVXAUSA-N 1 1 280.371 3.715 20 30 CHEDMO CC[N@@H+](CCc1ccccn1)[C@@H](C)c1cccc(C#N)c1 ZINC000785469973 1120515900 /nfs/dbraw/zinc/51/59/00/1120515900.db2.gz PHLWOWYUCRGOLM-HNNXBMFYSA-N 1 1 279.387 3.579 20 30 CHEDMO C=CCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000117879181 1120518066 /nfs/dbraw/zinc/51/80/66/1120518066.db2.gz SADQJASARDKRJX-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO C=CCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000117879181 1120518072 /nfs/dbraw/zinc/51/80/72/1120518072.db2.gz SADQJASARDKRJX-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO C[C@@H](c1ccco1)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000092484202 1120543145 /nfs/dbraw/zinc/54/31/45/1120543145.db2.gz WDSRGRKNWXYHLL-NSHDSACASA-N 1 1 272.373 3.938 20 30 CHEDMO C[C@@H](c1ccco1)[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000092484202 1120543149 /nfs/dbraw/zinc/54/31/49/1120543149.db2.gz WDSRGRKNWXYHLL-NSHDSACASA-N 1 1 272.373 3.938 20 30 CHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093531924 1120561726 /nfs/dbraw/zinc/56/17/26/1120561726.db2.gz LGLGXBNPRZXONX-GFCCVEGCSA-N 1 1 288.778 3.868 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1C ZINC000428930113 1120574519 /nfs/dbraw/zinc/57/45/19/1120574519.db2.gz LKIUOEQANZDVAB-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1C ZINC000428930113 1120574521 /nfs/dbraw/zinc/57/45/21/1120574521.db2.gz LKIUOEQANZDVAB-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO C=C(C)CC[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000509006815 1120584691 /nfs/dbraw/zinc/58/46/91/1120584691.db2.gz MSIFNROEJUSLPR-UHFFFAOYSA-N 1 1 257.377 3.751 20 30 CHEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000509007675 1120586560 /nfs/dbraw/zinc/58/65/60/1120586560.db2.gz ITNGJIGVYQYEHS-HNNXBMFYSA-N 1 1 297.345 3.628 20 30 CHEDMO C=C(C)CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000509007675 1120586564 /nfs/dbraw/zinc/58/65/64/1120586564.db2.gz ITNGJIGVYQYEHS-HNNXBMFYSA-N 1 1 297.345 3.628 20 30 CHEDMO C=CCOCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000338888597 1120621086 /nfs/dbraw/zinc/62/10/86/1120621086.db2.gz SUOGGTKCFTWQQI-CZUORRHYSA-N 1 1 275.392 3.570 20 30 CHEDMO C=CCCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660680632 1120676726 /nfs/dbraw/zinc/67/67/26/1120676726.db2.gz VAZAMTUTCLVGRX-UHFFFAOYSA-N 1 1 272.436 3.597 20 30 CHEDMO C=CCCCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660718953 1120679826 /nfs/dbraw/zinc/67/98/26/1120679826.db2.gz BIWWPSFRCXFGEK-UHFFFAOYSA-N 1 1 288.439 3.695 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168744360 1120682876 /nfs/dbraw/zinc/68/28/76/1120682876.db2.gz PCKMKQTUWFZPFR-INIZCTEOSA-N 1 1 296.801 3.811 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)CC(C)(C)C ZINC000162895008 1120696296 /nfs/dbraw/zinc/69/62/96/1120696296.db2.gz NZAZQAYQKUEENZ-UHFFFAOYSA-N 1 1 250.773 3.690 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000618752378 1128936575 /nfs/dbraw/zinc/93/65/75/1128936575.db2.gz UJZXLTPBSAFAAR-OAHLLOKOSA-N 1 1 281.440 3.644 20 30 CHEDMO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nc3cccc(C)c3[nH]2)C1 ZINC000651746243 1120733937 /nfs/dbraw/zinc/73/39/37/1120733937.db2.gz KXJLBWBRGSXSEV-KGLIPLIRSA-N 1 1 269.392 3.706 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000661378915 1120759805 /nfs/dbraw/zinc/75/98/05/1120759805.db2.gz OKYMLFXGQXIMIQ-GFCCVEGCSA-N 1 1 289.404 3.586 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000661378915 1120759808 /nfs/dbraw/zinc/75/98/08/1120759808.db2.gz OKYMLFXGQXIMIQ-GFCCVEGCSA-N 1 1 289.404 3.586 20 30 CHEDMO FCC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000661688598 1120784398 /nfs/dbraw/zinc/78/43/98/1120784398.db2.gz DUEWQZPCCADWOS-AWEZNQCLSA-N 1 1 279.786 3.763 20 30 CHEDMO FCC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000661688598 1120784400 /nfs/dbraw/zinc/78/44/00/1120784400.db2.gz DUEWQZPCCADWOS-AWEZNQCLSA-N 1 1 279.786 3.763 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C(C)(C)C ZINC000661756210 1120808821 /nfs/dbraw/zinc/80/88/21/1120808821.db2.gz FRCUMKWLXJWRCI-UHFFFAOYSA-N 1 1 294.464 3.898 20 30 CHEDMO C=CC[N@H+](Cc1oc(CCC)nc1C)C(C)(C)C ZINC000661757034 1120809913 /nfs/dbraw/zinc/80/99/13/1120809913.db2.gz BWTMMDYDQPGVGE-UHFFFAOYSA-N 1 1 250.386 3.722 20 30 CHEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC000596980252 1120818374 /nfs/dbraw/zinc/81/83/74/1120818374.db2.gz XZTNZHDYXQBXTN-UHFFFAOYSA-N 1 1 256.393 3.720 20 30 CHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccc1C#N ZINC000389090848 1120841927 /nfs/dbraw/zinc/84/19/27/1120841927.db2.gz JSDYDOYIHYXBMN-SFHVURJKSA-N 1 1 292.382 3.556 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccccc2C)no1 ZINC000662078053 1120871326 /nfs/dbraw/zinc/87/13/26/1120871326.db2.gz HECWAJYLNMYRFX-GASCZTMLSA-N 1 1 295.386 3.728 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(C)cc2)no1 ZINC000662081592 1120871453 /nfs/dbraw/zinc/87/14/53/1120871453.db2.gz VPBCKSBCPYUIOE-IYBDPMFKSA-N 1 1 295.386 3.728 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(-c2cccc(F)c2)n1 ZINC000662083856 1120871667 /nfs/dbraw/zinc/87/16/67/1120871667.db2.gz LIEURYUGVZWRKG-CALCHBBNSA-N 1 1 297.377 3.694 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccco2)on1 ZINC000662080722 1120871794 /nfs/dbraw/zinc/87/17/94/1120871794.db2.gz LYUAAPFDTMMEBD-OKILXGFUSA-N 1 1 270.332 3.618 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCc1ccccc1 ZINC000662090983 1120873367 /nfs/dbraw/zinc/87/33/67/1120873367.db2.gz VMOIBJSZMSZZOX-HDICACEKSA-N 1 1 271.404 3.776 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C\c1cncc(OC)c1 ZINC000662088626 1120873696 /nfs/dbraw/zinc/87/36/96/1120873696.db2.gz KWHWTVIDZVMHBI-FNRLBKLVSA-N 1 1 284.403 3.677 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2c(cccc2F)n1CC ZINC000662087978 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CC[C@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437574884 1122641596 /nfs/dbraw/zinc/64/15/96/1122641596.db2.gz DMTWKAIYNPFARD-QGZVFWFLSA-N 1 1 272.392 3.579 20 30 CHEDMO CCCCCCCCC[N@H+]1CCOCC12CCC2 ZINC001192379678 1122642759 /nfs/dbraw/zinc/64/27/59/1122642759.db2.gz IBAWGOHOWYNJRW-UHFFFAOYSA-N 1 1 253.430 3.992 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437835015 1122659824 /nfs/dbraw/zinc/65/98/24/1122659824.db2.gz ONFRDPIGYKOHDA-KXBFYZLASA-N 1 1 276.383 3.936 20 30 CHEDMO CC(C)(C)C1=CC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001193022391 1122670525 /nfs/dbraw/zinc/67/05/25/1122670525.db2.gz SYAMOPLGFKNYHG-UHFFFAOYSA-N 1 1 271.379 3.855 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438175370 1122683797 /nfs/dbraw/zinc/68/37/97/1122683797.db2.gz INOUQMLGHCPSJA-KYJSFNMBSA-N 1 1 271.379 3.830 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)CC1(c2ccccc2)CC1 ZINC000438270789 1122688810 /nfs/dbraw/zinc/68/88/10/1122688810.db2.gz LZAZKYBIELXTAI-UHFFFAOYSA-N 1 1 294.373 3.861 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000438353908 1122694114 /nfs/dbraw/zinc/69/41/14/1122694114.db2.gz OIXNMUXNJARGJH-UHFFFAOYSA-N 1 1 254.377 3.714 20 30 CHEDMO CC[C@H](C[N@@H+](CC)Cc1cncc(C#N)c1)c1ccccc1 ZINC001193594656 1122700692 /nfs/dbraw/zinc/70/06/92/1122700692.db2.gz YLSFCALWVODMQL-GOSISDBHSA-N 1 1 293.414 3.969 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1OC ZINC001193941712 1122735291 /nfs/dbraw/zinc/73/52/91/1122735291.db2.gz BYPGEYKLKBVYKO-AWEZNQCLSA-N 1 1 265.784 3.889 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001193941712 1122735293 /nfs/dbraw/zinc/73/52/93/1122735293.db2.gz BYPGEYKLKBVYKO-AWEZNQCLSA-N 1 1 265.784 3.889 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000439324299 1122771979 /nfs/dbraw/zinc/77/19/79/1122771979.db2.gz RWLWQDOVCGSBKU-HOCLYGCPSA-N 1 1 254.377 3.558 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(C(C)C)s1 ZINC000426554075 1122819462 /nfs/dbraw/zinc/81/94/62/1122819462.db2.gz SZRAMTWIDQWGAO-GFCCVEGCSA-N 1 1 250.411 3.807 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000426557267 1122822186 /nfs/dbraw/zinc/82/21/86/1122822186.db2.gz FBGJZEVQWRMAOF-GFCCVEGCSA-N 1 1 250.411 3.807 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000426557267 1122822193 /nfs/dbraw/zinc/82/21/93/1122822193.db2.gz FBGJZEVQWRMAOF-GFCCVEGCSA-N 1 1 250.411 3.807 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1C ZINC000426571719 1122825278 /nfs/dbraw/zinc/82/52/78/1122825278.db2.gz VUXCPTNQWYEEJE-QGZVFWFLSA-N 1 1 281.403 3.721 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001195463162 1122869987 /nfs/dbraw/zinc/86/99/87/1122869987.db2.gz HYVROWHUYPSADJ-GJZGRUSLSA-N 1 1 286.375 3.700 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1cc2ccnc(Cl)c2s1 ZINC000894547248 1122872876 /nfs/dbraw/zinc/87/28/76/1122872876.db2.gz BXAMFGMKEBEZIS-UHFFFAOYSA-N 1 1 296.823 3.584 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001195559933 1122877505 /nfs/dbraw/zinc/87/75/05/1122877505.db2.gz XUWHDGFSEZYAKF-RYUDHWBXSA-N 1 1 265.759 3.885 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001195946983 1122899382 /nfs/dbraw/zinc/89/93/82/1122899382.db2.gz PJPNKBZPSHNDFA-GFCCVEGCSA-N 1 1 251.320 3.753 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC001195953875 1122899611 /nfs/dbraw/zinc/89/96/11/1122899611.db2.gz DMIBLFIXPKYSLK-HNNXBMFYSA-N 1 1 271.404 3.547 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093871070 1122963553 /nfs/dbraw/zinc/96/35/53/1122963553.db2.gz PWVZSPXPLUVDLL-LLVKDONJSA-N 1 1 268.451 3.583 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001196506223 1122924430 /nfs/dbraw/zinc/92/44/30/1122924430.db2.gz NZXZOLCTMFXITQ-QGZVFWFLSA-N 1 1 258.409 3.553 20 30 CHEDMO C=CCCCCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC001196535292 1122924919 /nfs/dbraw/zinc/92/49/19/1122924919.db2.gz JSPBXAFLZFQQCS-UHFFFAOYSA-N 1 1 261.413 3.540 20 30 CHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507143454 1122929803 /nfs/dbraw/zinc/92/98/03/1122929803.db2.gz MVSZRJYSHXXIMD-SFHVURJKSA-N 1 1 296.370 3.669 20 30 CHEDMO CSCC[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426995773 1122930684 /nfs/dbraw/zinc/93/06/84/1122930684.db2.gz UECAHZGYHBZKBP-ZDUSSCGKSA-N 1 1 281.852 3.765 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000507179056 1122933367 /nfs/dbraw/zinc/93/33/67/1122933367.db2.gz GTSPEWQYSQXELB-INIZCTEOSA-N 1 1 294.373 3.995 20 30 CHEDMO CC[N@H+](Cc1occc1C)Cc1ccc(C#N)cc1F ZINC000507158060 1122933694 /nfs/dbraw/zinc/93/36/94/1122933694.db2.gz YYHSAGKWSFOMRN-UHFFFAOYSA-N 1 1 272.323 3.621 20 30 CHEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cc1F ZINC000507158060 1122933697 /nfs/dbraw/zinc/93/36/97/1122933697.db2.gz YYHSAGKWSFOMRN-UHFFFAOYSA-N 1 1 272.323 3.621 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196898574 1122938739 /nfs/dbraw/zinc/93/87/39/1122938739.db2.gz HCPOFUOEZKTUEG-ZACQAIPSSA-N 1 1 268.404 3.662 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000507241933 1122942545 /nfs/dbraw/zinc/94/25/45/1122942545.db2.gz CFFSNGOKZKZFKK-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C=C(C)[C@H]([NH2+]C[C@@H](F)CC)c1ccc(F)c(F)c1 ZINC000440501022 1122958602 /nfs/dbraw/zinc/95/86/02/1122958602.db2.gz CYQPUTWYIFWWQY-FZMZJTMJSA-N 1 1 257.299 3.920 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000507584513 1122966532 /nfs/dbraw/zinc/96/65/32/1122966532.db2.gz RJZHHCRRYJAZEL-INIZCTEOSA-N 1 1 278.399 3.910 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(N(C)C)cc1 ZINC000775833177 1122985176 /nfs/dbraw/zinc/98/51/76/1122985176.db2.gz HINMTTKECQFHGH-CYBMUJFWSA-N 1 1 297.377 3.614 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001198414383 1122990724 /nfs/dbraw/zinc/99/07/24/1122990724.db2.gz PBPBORUNCABCIR-QGZVFWFLSA-N 1 1 272.436 3.992 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001198458969 1122992245 /nfs/dbraw/zinc/99/22/45/1122992245.db2.gz ZXSIESDVPQMEEK-OLZOCXBDSA-N 1 1 279.346 3.775 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001198458970 1122992453 /nfs/dbraw/zinc/99/24/53/1122992453.db2.gz ZXSIESDVPQMEEK-QWHCGFSZSA-N 1 1 279.346 3.775 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001198491536 1122994088 /nfs/dbraw/zinc/99/40/88/1122994088.db2.gz SBBQEINRUUYFOI-KSSFIOAISA-N 1 1 294.398 3.817 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001198491534 1122994104 /nfs/dbraw/zinc/99/41/04/1122994104.db2.gz SBBQEINRUUYFOI-KBXCAEBGSA-N 1 1 294.398 3.817 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001198491535 1122994292 /nfs/dbraw/zinc/99/42/92/1122994292.db2.gz SBBQEINRUUYFOI-KDOFPFPSSA-N 1 1 294.398 3.817 20 30 CHEDMO C=CC[C@H]1CC[C@@H]([NH2+]CCCN(C)Cc2ccccc2)C1 ZINC001199037646 1123018620 /nfs/dbraw/zinc/01/86/20/1123018620.db2.gz BOMZCCXHOOSWKF-PKOBYXMFSA-N 1 1 286.463 3.843 20 30 CHEDMO CSCC[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000440607635 1123020679 /nfs/dbraw/zinc/02/06/79/1123020679.db2.gz FQCFWZVSLNNJIA-ZDUSSCGKSA-N 1 1 281.852 3.765 20 30 CHEDMO N#CC1(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000775976668 1123030818 /nfs/dbraw/zinc/03/08/18/1123030818.db2.gz WALMLDDXLUWBLS-MSOLQXFVSA-N 1 1 298.430 3.658 20 30 CHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000775993262 1123033788 /nfs/dbraw/zinc/03/37/88/1123033788.db2.gz SJDQTRSMGOXQTB-UHFFFAOYSA-N 1 1 291.782 3.786 20 30 CHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000775993262 1123033793 /nfs/dbraw/zinc/03/37/93/1123033793.db2.gz SJDQTRSMGOXQTB-UHFFFAOYSA-N 1 1 291.782 3.786 20 30 CHEDMO CC#CC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776009248 1123036243 /nfs/dbraw/zinc/03/62/43/1123036243.db2.gz IVHZZLYKSIELSN-MRXNPFEDSA-N 1 1 279.383 3.979 20 30 CHEDMO C=CC[N@H+](C[C@@H](O)c1ccccc1)C1CCCCC1 ZINC001251993797 1123051714 /nfs/dbraw/zinc/05/17/14/1123051714.db2.gz SKITZZJUVRDQIS-QGZVFWFLSA-N 1 1 259.393 3.541 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441143417 1123060643 /nfs/dbraw/zinc/06/06/43/1123060643.db2.gz HZXBJYMLPFYVRM-UHFFFAOYSA-N 1 1 275.392 3.650 20 30 CHEDMO Clc1ccccc1C#CC[N@@H+]1CCC2(CCC2)C1 ZINC000441149430 1123064019 /nfs/dbraw/zinc/06/40/19/1123064019.db2.gz BPWMOXJRHGRBMR-UHFFFAOYSA-N 1 1 259.780 3.568 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CCC2(CCC2)C1 ZINC000441149430 1123064024 /nfs/dbraw/zinc/06/40/24/1123064024.db2.gz BPWMOXJRHGRBMR-UHFFFAOYSA-N 1 1 259.780 3.568 20 30 CHEDMO COC1CCC([N@@H+](C)CC#Cc2ccccc2Cl)CC1 ZINC000441165390 1123064523 /nfs/dbraw/zinc/06/45/23/1123064523.db2.gz LPVMQECAEQSMJT-UHFFFAOYSA-N 1 1 291.822 3.581 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1C1CCC1 ZINC000895018719 1123102052 /nfs/dbraw/zinc/10/20/52/1123102052.db2.gz UNRUMEUHVVYSFE-AWEZNQCLSA-N 1 1 294.402 3.673 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000895018719 1123102053 /nfs/dbraw/zinc/10/20/53/1123102053.db2.gz UNRUMEUHVVYSFE-AWEZNQCLSA-N 1 1 294.402 3.673 20 30 CHEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccncc2)c2ccccn21 ZINC000776188289 1123103432 /nfs/dbraw/zinc/10/34/32/1123103432.db2.gz MIIWTUUNAJGABR-VOTSOKGWSA-N 1 1 291.354 3.749 20 30 CHEDMO C[C@@H]1CC[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000328641684 1123107995 /nfs/dbraw/zinc/10/79/95/1123107995.db2.gz DHRRWLWJBPGPNR-CHWSQXEVSA-N 1 1 284.363 3.682 20 30 CHEDMO CCCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001201631500 1123130006 /nfs/dbraw/zinc/13/00/06/1123130006.db2.gz UDQYTTINJQCULA-CALCHBBNSA-N 1 1 295.467 3.665 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001201630998 1123130119 /nfs/dbraw/zinc/13/01/19/1123130119.db2.gz KQSRGWAOVGUJPU-ROUUACIJSA-N 1 1 299.499 3.582 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001201761537 1123147483 /nfs/dbraw/zinc/14/74/83/1123147483.db2.gz ILDIJXIHKJMFAR-STQMWFEESA-N 1 1 299.352 3.684 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201761422 1123147758 /nfs/dbraw/zinc/14/77/58/1123147758.db2.gz DPOPMVYGBSDTCA-CHWSQXEVSA-N 1 1 281.362 3.592 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001201804092 1123149944 /nfs/dbraw/zinc/14/99/44/1123149944.db2.gz APTBAIRJTSDCPK-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201804500 1123150203 /nfs/dbraw/zinc/15/02/03/1123150203.db2.gz MHRCXSGSNZZDRV-OLZOCXBDSA-N 1 1 299.352 3.684 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201776718 1123151154 /nfs/dbraw/zinc/15/11/54/1123151154.db2.gz IVSZJGPTRKJXCJ-ROUUACIJSA-N 1 1 295.467 3.617 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001201804864 1123151395 /nfs/dbraw/zinc/15/13/95/1123151395.db2.gz VVKLWHCMOKWFSC-ZIAGYGMSSA-N 1 1 295.389 3.982 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001201776837 1123151522 /nfs/dbraw/zinc/15/15/22/1123151522.db2.gz NHNNYABAJVYXRX-GOSISDBHSA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCC[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001201787797 1123152282 /nfs/dbraw/zinc/15/22/82/1123152282.db2.gz NBJUDSAFJSPNTJ-UHFFFAOYSA-N 1 1 289.345 3.688 20 30 CHEDMO CCCCCCC[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001201787797 1123152283 /nfs/dbraw/zinc/15/22/83/1123152283.db2.gz NBJUDSAFJSPNTJ-UHFFFAOYSA-N 1 1 289.345 3.688 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2c(cnn2C)C1 ZINC001201852763 1123152456 /nfs/dbraw/zinc/15/24/56/1123152456.db2.gz KLGYAIMPRQPMLF-UHFFFAOYSA-N 1 1 263.429 3.529 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001201839307 1123154027 /nfs/dbraw/zinc/15/40/27/1123154027.db2.gz KPNNKPCNTYVRHT-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001201840142 1123154822 /nfs/dbraw/zinc/15/48/22/1123154822.db2.gz NFDLRVSMHRFBFY-QGZVFWFLSA-N 1 1 276.424 3.895 20 30 CHEDMO CCCCCCCCCN1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001201846650 1123156056 /nfs/dbraw/zinc/15/60/56/1123156056.db2.gz JYGQHBRJPNMYGV-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCCC[NH+]1CC(N2CCCCC2)C1 ZINC001201846999 1123156181 /nfs/dbraw/zinc/15/61/81/1123156181.db2.gz QRGBXGVJWUBKBM-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000106245748 1123157104 /nfs/dbraw/zinc/15/71/04/1123157104.db2.gz QYWFYFALBQSUQX-RHSMWYFYSA-N 1 1 288.435 3.533 20 30 CHEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1cccc(C#N)c1 ZINC000178988818 1123192148 /nfs/dbraw/zinc/19/21/48/1123192148.db2.gz KBMGHWTYQCJUMS-UHFFFAOYSA-N 1 1 279.387 3.853 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507804423 1123212588 /nfs/dbraw/zinc/21/25/88/1123212588.db2.gz NDCITQMKTNLBSJ-CVEARBPZSA-N 1 1 253.430 3.870 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1COC ZINC001252123114 1123224065 /nfs/dbraw/zinc/22/40/65/1123224065.db2.gz CNIJAHOIKAPKGC-IRXDYDNUSA-N 1 1 285.472 3.599 20 30 CHEDMO CCCCCCCC[C@H](O)CN1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001252134676 1123227670 /nfs/dbraw/zinc/22/76/70/1123227670.db2.gz YOEZLTLUSYBPMH-ROUUACIJSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001252134676 1123227672 /nfs/dbraw/zinc/22/76/72/1123227672.db2.gz YOEZLTLUSYBPMH-ROUUACIJSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001252134676 1123227678 /nfs/dbraw/zinc/22/76/78/1123227678.db2.gz YOEZLTLUSYBPMH-ROUUACIJSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183817714 1129107869 /nfs/dbraw/zinc/10/78/69/1129107869.db2.gz ABBVNKRISDKYPV-HNNXBMFYSA-N 1 1 273.424 3.562 20 30 CHEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)cnc1Cl ZINC000850390334 1123261947 /nfs/dbraw/zinc/26/19/47/1123261947.db2.gz FTBGJJMQEDOIOQ-UHFFFAOYSA-N 1 1 277.799 3.607 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000544116651 1123262871 /nfs/dbraw/zinc/26/28/71/1123262871.db2.gz DUOGPIXXPJFMGG-KBPBESRZSA-N 1 1 256.393 3.987 20 30 CHEDMO C=CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850501363 1123275365 /nfs/dbraw/zinc/27/53/65/1123275365.db2.gz AXMDGNBGPZFOHP-MRVPVSSYSA-N 1 1 260.164 3.926 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000520848573 1123286811 /nfs/dbraw/zinc/28/68/11/1123286811.db2.gz FZRBMISREWTQDV-UHFFFAOYSA-N 1 1 280.209 3.990 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CCCCC1 ZINC000850549619 1123288750 /nfs/dbraw/zinc/28/87/50/1123288750.db2.gz IAWLWFVWVNNTCL-CYBMUJFWSA-N 1 1 289.810 3.786 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428241361 1123299209 /nfs/dbraw/zinc/29/92/09/1123299209.db2.gz TVHMDSGZDNAYGO-AWEZNQCLSA-N 1 1 260.356 3.852 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442806469 1123338684 /nfs/dbraw/zinc/33/86/84/1123338684.db2.gz BTGLVFZXWULNIB-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)ccc1C#N ZINC000442802981 1123340305 /nfs/dbraw/zinc/34/03/05/1123340305.db2.gz UVCKOTHVZIXJNS-SFHVURJKSA-N 1 1 292.382 3.686 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000388927829 1123396897 /nfs/dbraw/zinc/39/68/97/1123396897.db2.gz RXCPINFQMUKDKS-UHFFFAOYSA-N 1 1 270.298 3.829 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000388927829 1123396899 /nfs/dbraw/zinc/39/68/99/1123396899.db2.gz RXCPINFQMUKDKS-UHFFFAOYSA-N 1 1 270.298 3.829 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000852206610 1123399548 /nfs/dbraw/zinc/39/95/48/1123399548.db2.gz NNCKSMFILFRURN-AWEZNQCLSA-N 1 1 284.428 3.574 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000852333341 1123403377 /nfs/dbraw/zinc/40/33/77/1123403377.db2.gz KGQCSJUMVAEOJK-NKELODKYSA-N 1 1 295.430 3.519 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326855 1123403437 /nfs/dbraw/zinc/40/34/37/1123403437.db2.gz PORWXARMDRHGIM-QFBILLFUSA-N 1 1 291.398 3.700 20 30 CHEDMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326855 1123403441 /nfs/dbraw/zinc/40/34/41/1123403441.db2.gz PORWXARMDRHGIM-QFBILLFUSA-N 1 1 291.398 3.700 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2CCCCCC2)C1 ZINC000852331989 1123403449 /nfs/dbraw/zinc/40/34/49/1123403449.db2.gz NKUBGAMCDPZMCM-IBGZPJMESA-N 1 1 297.446 3.909 20 30 CHEDMO CC1CCC(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CC1 ZINC000852333044 1123403574 /nfs/dbraw/zinc/40/35/74/1123403574.db2.gz YBRSVVREBIICMI-TVPLGVNVSA-N 1 1 297.446 3.765 20 30 CHEDMO CC(C)(CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C1CC1 ZINC000852332682 1123403661 /nfs/dbraw/zinc/40/36/61/1123403661.db2.gz UNSBUBHFFPBIIQ-LJQANCHMSA-N 1 1 297.446 3.765 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC000852410447 1123404254 /nfs/dbraw/zinc/40/42/54/1123404254.db2.gz MFZHEXZAJMIOQY-GFCCVEGCSA-N 1 1 295.224 3.632 20 30 CHEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000852554226 1123408878 /nfs/dbraw/zinc/40/88/78/1123408878.db2.gz HRYAECYCIJDECI-UHFFFAOYSA-N 1 1 289.354 3.662 20 30 CHEDMO C=CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C(C)(C)C ZINC000852554174 1123409206 /nfs/dbraw/zinc/40/92/06/1123409206.db2.gz FIUZLMWRCHRLDO-CQSZACIVSA-N 1 1 267.800 3.660 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(Cl)cc1 ZINC000852685309 1123411640 /nfs/dbraw/zinc/41/16/40/1123411640.db2.gz DWAUEEPEJAHJJH-OWCLPIDISA-N 1 1 277.795 3.556 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Br)n1 ZINC000852687787 1123412573 /nfs/dbraw/zinc/41/25/73/1123412573.db2.gz NXWCOLPYXBEEOV-BETUJISGSA-N 1 1 293.208 3.527 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)n1 ZINC000852687787 1123412578 /nfs/dbraw/zinc/41/25/78/1123412578.db2.gz NXWCOLPYXBEEOV-BETUJISGSA-N 1 1 293.208 3.527 20 30 CHEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000509624197 1123439066 /nfs/dbraw/zinc/43/90/66/1123439066.db2.gz GZRGASOBGQYRFQ-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO C=C(C)CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000509624197 1123439067 /nfs/dbraw/zinc/43/90/67/1123439067.db2.gz GZRGASOBGQYRFQ-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)cc(C)c1O ZINC000853599505 1123443678 /nfs/dbraw/zinc/44/36/78/1123443678.db2.gz QOHFXYZUPHKUJN-IYBDPMFKSA-N 1 1 257.377 3.692 20 30 CHEDMO CCc1cccc(F)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000474107771 1123443992 /nfs/dbraw/zinc/44/39/92/1123443992.db2.gz ZWCAOXPNOYETGM-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO CCc1cccc(F)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000474107771 1123443994 /nfs/dbraw/zinc/44/39/94/1123443994.db2.gz ZWCAOXPNOYETGM-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO CC#CCC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000157151627 1129122782 /nfs/dbraw/zinc/12/27/82/1129122782.db2.gz HUCYPOYSKSJACG-CYBMUJFWSA-N 1 1 264.438 3.981 20 30 CHEDMO C=C(Cl)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111693407 1123460812 /nfs/dbraw/zinc/46/08/12/1123460812.db2.gz UXJPKJYACSANJI-UHFFFAOYSA-N 1 1 279.811 3.668 20 30 CHEDMO C=CCn1c(C)nn(C[NH+]2CCCCCCCC2)c1=S ZINC000840132594 1123467342 /nfs/dbraw/zinc/46/73/42/1123467342.db2.gz COBYBWWLVXFNRQ-UHFFFAOYSA-N 1 1 294.468 3.522 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](c1ccccc1)C(C)C ZINC000474146987 1123469963 /nfs/dbraw/zinc/46/99/63/1123469963.db2.gz ZQYBBRNIDIXRKS-RDJZCZTQSA-N 1 1 258.409 3.908 20 30 CHEDMO C=C(C)C[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000474167272 1123480297 /nfs/dbraw/zinc/48/02/97/1123480297.db2.gz BUSQGCJIIWOYKY-UHFFFAOYSA-N 1 1 277.408 3.880 20 30 CHEDMO CCCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854736750 1123494030 /nfs/dbraw/zinc/49/40/30/1123494030.db2.gz IFXABQJQXMKSRY-GOSISDBHSA-N 1 1 294.483 3.681 20 30 CHEDMO CCCCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000112678991 1123495870 /nfs/dbraw/zinc/49/58/70/1123495870.db2.gz ZZQIHGOHVROXEH-UHFFFAOYSA-N 1 1 285.435 3.651 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000025359636 1123503305 /nfs/dbraw/zinc/50/33/05/1123503305.db2.gz GKCDRWQHXCAZMO-SFHVURJKSA-N 1 1 294.373 3.904 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000776798668 1123512708 /nfs/dbraw/zinc/51/27/08/1123512708.db2.gz MCCJCXDDTDRAFP-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000776798668 1123512712 /nfs/dbraw/zinc/51/27/12/1123512712.db2.gz MCCJCXDDTDRAFP-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1csc(C[C@H]2CCC[N@H+](C[C@H](C)CCC#N)C2)n1 ZINC000895823785 1123518264 /nfs/dbraw/zinc/51/82/64/1123518264.db2.gz SCHCPYUHXLZMQM-UKRRQHHQSA-N 1 1 291.464 3.646 20 30 CHEDMO C=CC[N@H+](CCCOCC(F)(F)F)Cc1ccccc1 ZINC000053702411 1123526950 /nfs/dbraw/zinc/52/69/50/1123526950.db2.gz MCRIEBMTKRUVTR-UHFFFAOYSA-N 1 1 287.325 3.644 20 30 CHEDMO COc1ccc(C(C)=NNc2cc[nH+]cc2)c2ccccc12 ZINC000779811842 1129128102 /nfs/dbraw/zinc/12/81/02/1129128102.db2.gz LBUSZLUQBHIHBO-UHFFFAOYSA-N 1 1 291.354 3.501 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C#N)C2)s1 ZINC000338999962 1123572189 /nfs/dbraw/zinc/57/21/89/1123572189.db2.gz LNNRAGJZMUOSMC-RDBSUJKOSA-N 1 1 260.406 3.886 20 30 CHEDMO CCCCC[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141894999 1123588475 /nfs/dbraw/zinc/58/84/75/1123588475.db2.gz XMGRMCORBPKRTH-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000896504048 1123590840 /nfs/dbraw/zinc/59/08/40/1123590840.db2.gz RNJSYKGSLKWNRK-HNNXBMFYSA-N 1 1 292.382 3.795 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000896504048 1123590845 /nfs/dbraw/zinc/59/08/45/1123590845.db2.gz RNJSYKGSLKWNRK-HNNXBMFYSA-N 1 1 292.382 3.795 20 30 CHEDMO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896502316 1123590869 /nfs/dbraw/zinc/59/08/69/1123590869.db2.gz WVCDDHMPINLZNZ-HNNXBMFYSA-N 1 1 297.427 3.854 20 30 CHEDMO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896502316 1123590872 /nfs/dbraw/zinc/59/08/72/1123590872.db2.gz WVCDDHMPINLZNZ-HNNXBMFYSA-N 1 1 297.427 3.854 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000779825266 1129138949 /nfs/dbraw/zinc/13/89/49/1129138949.db2.gz RCXQXDJWIOLJFJ-UHFFFAOYSA-N 1 1 273.424 3.868 20 30 CHEDMO CC(C)(C)SCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860109205 1123720290 /nfs/dbraw/zinc/72/02/90/1123720290.db2.gz PHZUOICJPNLTPM-UHFFFAOYSA-N 1 1 288.460 3.642 20 30 CHEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000860181076 1123724178 /nfs/dbraw/zinc/72/41/78/1123724178.db2.gz WRUXDRJKKZRHRN-YPQKKHBXSA-N 1 1 284.403 3.767 20 30 CHEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccccc1 ZINC000143301691 1123797886 /nfs/dbraw/zinc/79/78/86/1123797886.db2.gz COCAHJKPTCNOHH-UHFFFAOYSA-N 1 1 299.370 3.563 20 30 CHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccccc1 ZINC000143301691 1123797894 /nfs/dbraw/zinc/79/78/94/1123797894.db2.gz COCAHJKPTCNOHH-UHFFFAOYSA-N 1 1 299.370 3.563 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000186168242 1123810413 /nfs/dbraw/zinc/81/04/13/1123810413.db2.gz AVGQKXAVVFDFCA-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000862445120 1123810943 /nfs/dbraw/zinc/81/09/43/1123810943.db2.gz MDZXYVLTOFESHF-GFCCVEGCSA-N 1 1 281.371 3.847 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2COC)C1 ZINC000862447534 1123812093 /nfs/dbraw/zinc/81/20/93/1123812093.db2.gz NSENZZYMMGXSIV-NWNNTGRJSA-N 1 1 283.415 3.582 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000862467068 1123812764 /nfs/dbraw/zinc/81/27/64/1123812764.db2.gz NXCPPBRXSXSEGV-ZDUSSCGKSA-N 1 1 294.345 3.599 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1 ZINC000475288574 1123835234 /nfs/dbraw/zinc/83/52/34/1123835234.db2.gz ZPTLXDDHQAAIHY-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@H](CCC)c2ccccn2)CC1 ZINC000159041740 1129158028 /nfs/dbraw/zinc/15/80/28/1129158028.db2.gz VYZVWFMYQRVMLW-GOSISDBHSA-N 1 1 287.451 3.553 20 30 CHEDMO C=CCc1cc(C[N@H+]2CCCC[C@H]2C)cc(OC)c1O ZINC000158929922 1129156047 /nfs/dbraw/zinc/15/60/47/1129156047.db2.gz CNHHFFBNWUOBFH-CYBMUJFWSA-N 1 1 275.392 3.504 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3C#N)C2)C1 ZINC000428353317 1123996405 /nfs/dbraw/zinc/99/64/05/1123996405.db2.gz UQQUASUMYOUKNE-GUYCJALGSA-N 1 1 272.367 3.709 20 30 CHEDMO CC(C)(C)c1csc(C[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000865611989 1123999319 /nfs/dbraw/zinc/99/93/19/1123999319.db2.gz HBLGBHZWTBBXGZ-UHFFFAOYSA-N 1 1 299.443 3.796 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c1 ZINC000475554747 1124009006 /nfs/dbraw/zinc/00/90/06/1124009006.db2.gz JOLYPCHYMOOTQQ-GOSISDBHSA-N 1 1 289.419 3.642 20 30 CHEDMO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268585026 1124032238 /nfs/dbraw/zinc/03/22/38/1124032238.db2.gz DNEBODZSHMZATB-HNAYVOBHSA-N 1 1 294.398 3.593 20 30 CHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C1(C)C ZINC000444641115 1124050055 /nfs/dbraw/zinc/05/00/55/1124050055.db2.gz OSQKGILGSAYAET-LSDHHAIUSA-N 1 1 280.456 3.842 20 30 CHEDMO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc(C#N)c1O ZINC000866319670 1124052359 /nfs/dbraw/zinc/05/23/59/1124052359.db2.gz KPPKURJQSCNVSU-LBPRGKRZSA-N 1 1 296.345 3.743 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000444705983 1124054692 /nfs/dbraw/zinc/05/46/92/1124054692.db2.gz NGOQMWUMOYWNQM-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO Cc1cc(C)cc(C[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000444705983 1124054697 /nfs/dbraw/zinc/05/46/97/1124054697.db2.gz NGOQMWUMOYWNQM-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@@H]2CC[C@H](C)O2)CCCC1(C)C ZINC000444784183 1124061452 /nfs/dbraw/zinc/06/14/52/1124061452.db2.gz MXXPSJISSQOWQT-KKUMJFAQSA-N 1 1 251.414 3.621 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ncccc2C)CCCC1(C)C ZINC000444775014 1124062427 /nfs/dbraw/zinc/06/24/27/1124062427.db2.gz LKLJJWVMBKRIMH-MRXNPFEDSA-N 1 1 258.409 3.957 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cncc(C)c2)CCCC1(C)C ZINC000444777216 1124063002 /nfs/dbraw/zinc/06/30/02/1124063002.db2.gz RJRYRGYIULDDEK-MRXNPFEDSA-N 1 1 258.409 3.957 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nccn1C(F)F ZINC000195195926 1124063807 /nfs/dbraw/zinc/06/38/07/1124063807.db2.gz HJNBEVANUZQPQU-UHFFFAOYSA-N 1 1 291.345 3.509 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccn1C(F)F ZINC000195195926 1124063810 /nfs/dbraw/zinc/06/38/10/1124063810.db2.gz HJNBEVANUZQPQU-UHFFFAOYSA-N 1 1 291.345 3.509 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(OC)ccn2)CCCC1(C)C ZINC000444785389 1124065016 /nfs/dbraw/zinc/06/50/16/1124065016.db2.gz XYEZTCZRNVMWHK-INIZCTEOSA-N 1 1 274.408 3.657 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1F ZINC000403978008 1124078564 /nfs/dbraw/zinc/07/85/64/1124078564.db2.gz DYYAXQVOLYCHIO-WMLDXEAASA-N 1 1 272.367 3.852 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1F ZINC000403978013 1124078764 /nfs/dbraw/zinc/07/87/64/1124078764.db2.gz DYYAXQVOLYCHIO-YOEHRIQHSA-N 1 1 272.367 3.852 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428415246 1124097790 /nfs/dbraw/zinc/09/77/90/1124097790.db2.gz YTRREWRJENYSLO-AWEZNQCLSA-N 1 1 260.356 3.708 20 30 CHEDMO CC1(C)CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000446066894 1124108470 /nfs/dbraw/zinc/10/84/70/1124108470.db2.gz MRLCXCDVONBTQS-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCCC(C)(C)C1 ZINC000446075616 1124109374 /nfs/dbraw/zinc/10/93/74/1124109374.db2.gz ZVGCIUGYSPHWNH-UHFFFAOYSA-N 1 1 272.392 3.579 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)CC1(C)C ZINC000428442329 1124113848 /nfs/dbraw/zinc/11/38/48/1124113848.db2.gz MFYLSUOCBCZEAW-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)CC1(C)C ZINC000428442329 1124113849 /nfs/dbraw/zinc/11/38/49/1124113849.db2.gz MFYLSUOCBCZEAW-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nc2c(cccc2F)n1CC ZINC000114712403 1124116259 /nfs/dbraw/zinc/11/62/59/1124116259.db2.gz CDDNJGSBWDZTFZ-UHFFFAOYSA-N 1 1 275.371 3.593 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc2c(cccc2F)n1CC ZINC000114712403 1124116261 /nfs/dbraw/zinc/11/62/61/1124116261.db2.gz CDDNJGSBWDZTFZ-UHFFFAOYSA-N 1 1 275.371 3.593 20 30 CHEDMO CC[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446732988 1124119086 /nfs/dbraw/zinc/11/90/86/1124119086.db2.gz YNOIEVYVOKOAQO-ZDUSSCGKSA-N 1 1 281.321 3.789 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1oc(CC)nc1C ZINC000428451356 1124119775 /nfs/dbraw/zinc/11/97/75/1124119775.db2.gz AKOUKBNIRMHAJV-UHFFFAOYSA-N 1 1 284.403 3.776 20 30 CHEDMO CCc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000525267038 1124120519 /nfs/dbraw/zinc/12/05/19/1124120519.db2.gz BBDSOVOMQDOXIH-UHFFFAOYSA-N 1 1 297.402 3.767 20 30 CHEDMO CCc1cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000525267038 1124120520 /nfs/dbraw/zinc/12/05/20/1124120520.db2.gz BBDSOVOMQDOXIH-UHFFFAOYSA-N 1 1 297.402 3.767 20 30 CHEDMO C=CCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000525329333 1124122667 /nfs/dbraw/zinc/12/26/67/1124122667.db2.gz WXBQREUUUPQNJF-UHFFFAOYSA-N 1 1 253.773 3.617 20 30 CHEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428464632 1124131008 /nfs/dbraw/zinc/13/10/08/1124131008.db2.gz VOMWMNWWJIUUCK-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000447082601 1124131914 /nfs/dbraw/zinc/13/19/14/1124131914.db2.gz QFOYVEBSTCCJHK-CQSZACIVSA-N 1 1 268.360 3.523 20 30 CHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000447071967 1124132308 /nfs/dbraw/zinc/13/23/08/1124132308.db2.gz FIWUEJSORIGKSZ-AWEZNQCLSA-N 1 1 256.393 3.959 20 30 CHEDMO CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000429707765 1124133881 /nfs/dbraw/zinc/13/38/81/1124133881.db2.gz HLKYEGFTDSTKOG-DOMZBBRYSA-N 1 1 262.784 3.854 20 30 CHEDMO Cc1ccccc1OCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428470249 1124134553 /nfs/dbraw/zinc/13/45/53/1124134553.db2.gz ZKJKMGKDQLAUOF-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO Cc1ccccc1OCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428470249 1124134555 /nfs/dbraw/zinc/13/45/55/1124134555.db2.gz ZKJKMGKDQLAUOF-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO CCc1cc(C[N@@H+]2CCC[C@H](CC)C2)ccc1C#N ZINC001238779023 1131244145 /nfs/dbraw/zinc/24/41/45/1131244145.db2.gz SMEIIETUTOBRAJ-AWEZNQCLSA-N 1 1 256.393 3.743 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC001238778537 1131244906 /nfs/dbraw/zinc/24/49/06/1131244906.db2.gz 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/nfs/dbraw/zinc/48/01/11/1124480111.db2.gz FQWJGHSAWKXITF-UHFFFAOYSA-N 1 1 294.373 3.861 20 30 CHEDMO CC[C@@H]([NH2+]CCN(C(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000447507876 1124481734 /nfs/dbraw/zinc/48/17/34/1124481734.db2.gz IZYUBAXEDYITRA-GOSISDBHSA-N 1 1 287.451 3.718 20 30 CHEDMO CC[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447537524 1124484538 /nfs/dbraw/zinc/48/45/38/1124484538.db2.gz WMMDTJLGIFQLLF-GJYPPUQNSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447537524 1124484543 /nfs/dbraw/zinc/48/45/43/1124484543.db2.gz WMMDTJLGIFQLLF-GJYPPUQNSA-N 1 1 299.462 3.719 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000509658952 1124502758 /nfs/dbraw/zinc/50/27/58/1124502758.db2.gz UCEVOWWGRIIGJB-AWEZNQCLSA-N 1 1 259.349 3.518 20 30 CHEDMO Cn1c[nH+]cc1CCCSc1c(Cl)cccc1C#N ZINC000871693087 1124627337 /nfs/dbraw/zinc/62/73/37/1124627337.db2.gz XYHDCVJWEJHPBE-UHFFFAOYSA-N 1 1 291.807 3.670 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449023546 1124639394 /nfs/dbraw/zinc/63/93/94/1124639394.db2.gz RURZQDHUYBJAMA-UHFFFAOYSA-N 1 1 271.364 3.590 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449023546 1124639398 /nfs/dbraw/zinc/63/93/98/1124639398.db2.gz RURZQDHUYBJAMA-UHFFFAOYSA-N 1 1 271.364 3.590 20 30 CHEDMO C=CCC[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449268311 1124680720 /nfs/dbraw/zinc/68/07/20/1124680720.db2.gz FRVLLGQKMWSVOR-UHFFFAOYSA-N 1 1 286.444 3.936 20 30 CHEDMO CC[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(C#N)cc1 ZINC000872114535 1124687723 /nfs/dbraw/zinc/68/77/23/1124687723.db2.gz ZFUFQUGQCYQYLD-LBPRGKRZSA-N 1 1 291.807 3.909 20 30 CHEDMO C[C@@H](C[N@@H+](C)CC(C)(C)C#N)c1cc(F)cc(F)c1 ZINC000449339948 1124695137 /nfs/dbraw/zinc/69/51/37/1124695137.db2.gz LVYUABXEAYUFOG-NSHDSACASA-N 1 1 266.335 3.550 20 30 CHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)c2ccccc2C)no1 ZINC000872177459 1124697837 /nfs/dbraw/zinc/69/78/37/1124697837.db2.gz AENQNKKOSKFHSM-WCQYABFASA-N 1 1 291.782 3.672 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528597365 1124701722 /nfs/dbraw/zinc/70/17/22/1124701722.db2.gz MHEPMCWDZWRGRE-AWEZNQCLSA-N 1 1 287.451 3.877 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1C#N ZINC000872283391 1124702457 /nfs/dbraw/zinc/70/24/57/1124702457.db2.gz KPNCUUVBWPAHAP-IBGZPJMESA-N 1 1 298.430 3.790 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=CCC1CCCCC1 ZINC000872417987 1124713979 /nfs/dbraw/zinc/71/39/79/1124713979.db2.gz WNNVTPXJFQPGEY-UHFFFAOYSA-N 1 1 284.454 3.526 20 30 CHEDMO COc1cccc([C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2(C)C)c1 ZINC000528626782 1124726197 /nfs/dbraw/zinc/72/61/97/1124726197.db2.gz RNTALGUMCUKQJM-HFTRVMKXSA-N 1 1 298.430 3.813 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000124281691 1124730416 /nfs/dbraw/zinc/73/04/16/1124730416.db2.gz UNJJSCKSGDEHDT-ZDUSSCGKSA-N 1 1 298.411 3.597 20 30 CHEDMO N#Cc1ncc(-c2ccc3[nH]c4cc[nH+]cc4c3c2)cc1F ZINC001238996364 1131288979 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ZINC000876522930 1124957243 /nfs/dbraw/zinc/95/72/43/1124957243.db2.gz GSJLREPPPICIIZ-LLVKDONJSA-N 1 1 277.799 3.616 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000876558929 1124959806 /nfs/dbraw/zinc/95/98/06/1124959806.db2.gz YTHXKTPNYFLNBH-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000876558929 1124959809 /nfs/dbraw/zinc/95/98/09/1124959809.db2.gz YTHXKTPNYFLNBH-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC1(C#N)CCC1 ZINC000450303215 1124972552 /nfs/dbraw/zinc/97/25/52/1124972552.db2.gz MNZQDDQSDNAWJV-KRWDZBQOSA-N 1 1 284.403 3.698 20 30 CHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC2(C#N)CCC2)c1 ZINC000450301642 1124973063 /nfs/dbraw/zinc/97/30/63/1124973063.db2.gz UZQRIFXGVPJFRR-HNNXBMFYSA-N 1 1 256.393 3.990 20 30 CHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000450438528 1125026106 /nfs/dbraw/zinc/02/61/06/1125026106.db2.gz KQCYFUMVYYIVHT-XJKSGUPXSA-N 1 1 272.367 3.902 20 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VVXYQBRZOGSPKQ-NSHDSACASA-N 1 1 280.318 3.632 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000450670620 1125083960 /nfs/dbraw/zinc/08/39/60/1125083960.db2.gz SYNKCEWSIOPSLU-LLVKDONJSA-N 1 1 298.308 3.930 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000805766904 1131331328 /nfs/dbraw/zinc/33/13/28/1131331328.db2.gz BVZLXNXCVLZRKD-HOTGVXAUSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805766904 1131331334 /nfs/dbraw/zinc/33/13/34/1131331334.db2.gz BVZLXNXCVLZRKD-HOTGVXAUSA-N 1 1 252.446 3.515 20 30 CHEDMO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000450755297 1125101838 /nfs/dbraw/zinc/10/18/38/1125101838.db2.gz IRVCTHNHEAKRTD-HIFRSBDPSA-N 1 1 274.751 3.644 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1C(C)C)c1ccccc1 ZINC000877996390 1125110782 /nfs/dbraw/zinc/11/07/82/1125110782.db2.gz RMWLVERFVIEVDP-MOPGFXCFSA-N 1 1 298.430 3.547 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1C(C)C)c1ccccc1 ZINC000877996395 1125110804 /nfs/dbraw/zinc/11/08/04/1125110804.db2.gz RMWLVERFVIEVDP-RTBURBONSA-N 1 1 298.430 3.547 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCCC[C@@H]1C)c1ccccc1 ZINC000878105737 1125119892 /nfs/dbraw/zinc/11/98/92/1125119892.db2.gz HXTJMBYVBVPMKS-QFBILLFUSA-N 1 1 298.430 3.692 20 30 CHEDMO CC(C)(C#N)c1ccccc1Cn1cc[nH+]c1C1CC1 ZINC000530129576 1125124064 /nfs/dbraw/zinc/12/40/64/1125124064.db2.gz MIQBRRNXMXUCMU-UHFFFAOYSA-N 1 1 265.360 3.610 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000878154572 1125125425 /nfs/dbraw/zinc/12/54/25/1125125425.db2.gz ZDAZNUQIIIWSFI-JTDSTZFVSA-N 1 1 298.430 3.547 20 30 CHEDMO CC[C@]1(C)CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878188826 1125129593 /nfs/dbraw/zinc/12/95/93/1125129593.db2.gz UUKWTCMLNURIGD-MOPGFXCFSA-N 1 1 298.430 3.549 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)C1(C)CC1)c1ccccc1 ZINC000878179307 1125129672 /nfs/dbraw/zinc/12/96/72/1125129672.db2.gz KUVVLOIRRJOWQS-BEFAXECRSA-N 1 1 298.430 3.547 20 30 CHEDMO C[C@H](C#N)C[N@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC1 ZINC000878298215 1125138803 /nfs/dbraw/zinc/13/88/03/1125138803.db2.gz CZMKTEBFMULNAM-OLMNPRSZSA-N 1 1 284.403 3.531 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC1 ZINC000878298215 1125138815 /nfs/dbraw/zinc/13/88/15/1125138815.db2.gz CZMKTEBFMULNAM-OLMNPRSZSA-N 1 1 284.403 3.531 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000878612370 1125165878 /nfs/dbraw/zinc/16/58/78/1125165878.db2.gz KUOHYSBYUUEIFW-GOEBONIOSA-N 1 1 254.377 3.763 20 30 CHEDMO Cc1conc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000878647923 1125169263 /nfs/dbraw/zinc/16/92/63/1125169263.db2.gz LDSHCGYLJBRITN-HNNXBMFYSA-N 1 1 269.348 3.508 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878727923 1125176875 /nfs/dbraw/zinc/17/68/75/1125176875.db2.gz FQLOFPKAEQIYHF-NKGKWGDASA-N 1 1 284.403 3.509 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878886706 1125183108 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CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000879307973 1125208022 /nfs/dbraw/zinc/20/80/22/1125208022.db2.gz GSKDGXTWSQMXLB-WBVHZDCISA-N 1 1 272.392 3.598 20 30 CHEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CCCC#N ZINC000879640831 1125222696 /nfs/dbraw/zinc/22/26/96/1125222696.db2.gz RRLYEGKLXBAYSI-AWEZNQCLSA-N 1 1 260.356 3.697 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000879731193 1125228738 /nfs/dbraw/zinc/22/87/38/1125228738.db2.gz JELMMKOETRDXIO-GVDBMIGSSA-N 1 1 298.430 3.957 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000879747094 1125229331 /nfs/dbraw/zinc/22/93/31/1125229331.db2.gz AXKDFMCMOCGCCB-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000879747094 1125229334 /nfs/dbraw/zinc/22/93/34/1125229334.db2.gz AXKDFMCMOCGCCB-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO C=CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244512 1125245492 /nfs/dbraw/zinc/24/54/92/1125245492.db2.gz 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/nfs/dbraw/zinc/33/85/41/1125338541.db2.gz MPMBCFKRKCERRC-CZUORRHYSA-N 1 1 269.392 3.556 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168178373 1125341808 /nfs/dbraw/zinc/34/18/08/1125341808.db2.gz CHHAWHWLSDPPMK-GFCCVEGCSA-N 1 1 250.773 3.507 20 30 CHEDMO CC(C)CC[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000610613484 1125358561 /nfs/dbraw/zinc/35/85/61/1125358561.db2.gz BHCYJLZSPDUSCB-UHFFFAOYSA-N 1 1 282.334 3.638 20 30 CHEDMO CC(C)c1c[nH]c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000883147182 1125373347 /nfs/dbraw/zinc/37/33/47/1125373347.db2.gz NCNJMQZSQVASJE-MRXNPFEDSA-N 1 1 294.402 3.572 20 30 CHEDMO COCC[N@H+](CCC#N)Cc1c(C)ccc2ccccc21 ZINC000610821173 1125381950 /nfs/dbraw/zinc/38/19/50/1125381950.db2.gz UXXZLEGXQOXRAT-UHFFFAOYSA-N 1 1 282.387 3.510 20 30 CHEDMO COCC[N@@H+](CCC#N)Cc1c(C)ccc2ccccc21 ZINC000610821173 1125381953 /nfs/dbraw/zinc/38/19/53/1125381953.db2.gz UXXZLEGXQOXRAT-UHFFFAOYSA-N 1 1 282.387 3.510 20 30 CHEDMO C=CCCCCC[N@H+](C)Cn1nccc1-c1ccncc1 ZINC000131385018 1125390698 /nfs/dbraw/zinc/39/06/98/1125390698.db2.gz QMIRPPZLUMURAM-UHFFFAOYSA-N 1 1 284.407 3.581 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000352833529 1125399685 /nfs/dbraw/zinc/39/96/85/1125399685.db2.gz IRVFBPCRKFLBCU-OAHLLOKOSA-N 1 1 289.379 3.641 20 30 CHEDMO CC[N@@H+](Cc1cccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000171146016 1125404645 /nfs/dbraw/zinc/40/46/45/1125404645.db2.gz WIVWUMYPHYAFCW-CQSZACIVSA-N 1 1 265.360 3.536 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000352893286 1125405219 /nfs/dbraw/zinc/40/52/19/1125405219.db2.gz NIARTIOTYGYITO-HNNXBMFYSA-N 1 1 292.423 3.805 20 30 CHEDMO C[N@@H+](CCCCC#N)CCCc1cc(-c2ccccc2)no1 ZINC000102400749 1125410046 /nfs/dbraw/zinc/41/00/46/1125410046.db2.gz UYYVSNWTPGNPQV-UHFFFAOYSA-N 1 1 297.402 3.900 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C)n1 ZINC000348226772 1125413948 /nfs/dbraw/zinc/41/39/48/1125413948.db2.gz IRPMQSAZEHYUSJ-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000104948324 1125434436 /nfs/dbraw/zinc/43/44/36/1125434436.db2.gz KHJQKNCUFCKXFB-AWEZNQCLSA-N 1 1 265.360 3.536 20 30 CHEDMO Cc1nc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)sc1C ZINC000124749302 1125441716 /nfs/dbraw/zinc/44/17/16/1125441716.db2.gz ARWBENJQESCMMM-UHFFFAOYSA-N 1 1 285.416 3.657 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)CCc1csc(C)n1 ZINC000124934384 1125442948 /nfs/dbraw/zinc/44/29/48/1125442948.db2.gz GGZXRQFWWICLPN-UHFFFAOYSA-N 1 1 279.453 3.646 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1csc(C)n1 ZINC000124934384 1125442949 /nfs/dbraw/zinc/44/29/49/1125442949.db2.gz GGZXRQFWWICLPN-UHFFFAOYSA-N 1 1 279.453 3.646 20 30 CHEDMO CC[N@@H+](Cc1cc(OC)ccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000106933741 1125445766 /nfs/dbraw/zinc/44/57/66/1125445766.db2.gz HPRGDKIKBOKSGP-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO N#CCCC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000043670104 1125450238 /nfs/dbraw/zinc/45/02/38/1125450238.db2.gz SIWXQYODJCXCBE-LJQANCHMSA-N 1 1 276.383 3.938 20 30 CHEDMO C=CC[N@H+](CCCCn1ccnc1C)Cc1ccccc1 ZINC000163500477 1129202632 /nfs/dbraw/zinc/20/26/32/1129202632.db2.gz QXNMMCKOQJBVTA-UHFFFAOYSA-N 1 1 283.419 3.660 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000348049709 1129274397 /nfs/dbraw/zinc/27/43/97/1129274397.db2.gz JDDJBFNHXUHVDJ-CYBMUJFWSA-N 1 1 282.453 3.599 20 30 CHEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000348060872 1129278861 /nfs/dbraw/zinc/27/88/61/1129278861.db2.gz SDIFARWDYVBSAN-OAHLLOKOSA-N 1 1 263.381 3.708 20 30 CHEDMO C=C(Br)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000734641184 1129316855 /nfs/dbraw/zinc/31/68/55/1129316855.db2.gz XCCJDFSLCHSWNP-GXTWGEPZSA-N 1 1 280.209 3.773 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639499302 1129319776 /nfs/dbraw/zinc/31/97/76/1129319776.db2.gz HGMPVROSIMILOS-BETUJISGSA-N 1 1 291.357 3.822 20 30 CHEDMO CCC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC000735310927 1129340292 /nfs/dbraw/zinc/34/02/92/1129340292.db2.gz HIJSFNSEWJDBOS-UHFFFAOYSA-N 1 1 292.810 3.864 20 30 CHEDMO C[N@@H+](CCCCC#N)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719932150 1129355124 /nfs/dbraw/zinc/35/51/24/1129355124.db2.gz MXQIHSUGKFAKTI-LJQANCHMSA-N 1 1 299.462 3.667 20 30 CHEDMO CN(CCCCC#N)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719932150 1129355126 /nfs/dbraw/zinc/35/51/26/1129355126.db2.gz MXQIHSUGKFAKTI-LJQANCHMSA-N 1 1 299.462 3.667 20 30 CHEDMO CN(CCCCC#N)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719932150 1129355129 /nfs/dbraw/zinc/35/51/29/1129355129.db2.gz MXQIHSUGKFAKTI-LJQANCHMSA-N 1 1 299.462 3.667 20 30 CHEDMO C#CCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795570418 1129368679 /nfs/dbraw/zinc/36/86/79/1129368679.db2.gz CHZSCQPFFXBYPD-CQSZACIVSA-N 1 1 265.809 3.530 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000091984093 1129376283 /nfs/dbraw/zinc/37/62/83/1129376283.db2.gz CRAQMBQPELTRMR-OAHLLOKOSA-N 1 1 273.424 3.514 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000091984093 1129376286 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CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1cccc(C#N)c1 ZINC000903010956 1130100241 /nfs/dbraw/zinc/10/02/41/1130100241.db2.gz UMBBGXLDFFGNJK-XJKSGUPXSA-N 1 1 282.391 3.577 20 30 CHEDMO CCCc1ncc(C[NH2+][C@H](CC)c2cccc(C#N)c2)o1 ZINC000903012021 1130100375 /nfs/dbraw/zinc/10/03/75/1130100375.db2.gz LSDYPMCEVIPQTD-MRXNPFEDSA-N 1 1 283.375 3.740 20 30 CHEDMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903032057 1130102902 /nfs/dbraw/zinc/10/29/02/1130102902.db2.gz PCMIJBLEHUUIIF-LBPRGKRZSA-N 1 1 294.345 3.941 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(Cl)c1 ZINC000903092200 1130110763 /nfs/dbraw/zinc/11/07/63/1130110763.db2.gz IQSFCMRDCGCTIL-OAHLLOKOSA-N 1 1 275.783 3.860 20 30 CHEDMO Cc1ccc(Br)cc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903105584 1130111510 /nfs/dbraw/zinc/11/15/10/1130111510.db2.gz FGMMEYRJVLAZNP-NSHDSACASA-N 1 1 293.208 3.712 20 30 CHEDMO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903106396 1130113079 /nfs/dbraw/zinc/11/30/79/1130113079.db2.gz PDVXQYPGGKSVBX-CQSZACIVSA-N 1 1 290.794 3.756 20 30 CHEDMO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)c2ccsc2S1 ZINC000903106048 1130113157 /nfs/dbraw/zinc/11/31/57/1130113157.db2.gz LRPXSKNYJIYFIV-GXSJLCMTSA-N 1 1 264.419 3.567 20 30 CHEDMO CCCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903105883 1130113708 /nfs/dbraw/zinc/11/37/08/1130113708.db2.gz IIDDNZHLSULZBR-CQSZACIVSA-N 1 1 272.392 3.820 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCCC1 ZINC000903108354 1130114558 /nfs/dbraw/zinc/11/45/58/1130114558.db2.gz AFJWPZHZPFQWPS-HNNXBMFYSA-N 1 1 288.366 3.713 20 30 CHEDMO COC[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(Cl)c1 ZINC000903109000 1130114596 /nfs/dbraw/zinc/11/45/96/1130114596.db2.gz KASVNUTUHJQAAQ-OAHLLOKOSA-N 1 1 292.810 3.701 20 30 CHEDMO CCOc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107846 1130115030 /nfs/dbraw/zinc/11/50/30/1130115030.db2.gz GJVVXXFEGKYIOC-CQSZACIVSA-N 1 1 272.392 3.820 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(N)nc2F)cc1 ZINC001239837721 1130130736 /nfs/dbraw/zinc/13/07/36/1130130736.db2.gz LHZQEDZFYXYSRJ-MRXNPFEDSA-N 1 1 297.377 3.793 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000746654028 1130135346 /nfs/dbraw/zinc/13/53/46/1130135346.db2.gz XWLPJAGPSNUZHL-HNNXBMFYSA-N 1 1 265.784 3.757 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)C2(C)CCCC2)cc1 ZINC000787336828 1130148016 /nfs/dbraw/zinc/14/80/16/1130148016.db2.gz FGAYGVCZPJPYIX-UHFFFAOYSA-N 1 1 271.404 3.853 20 30 CHEDMO C#CC[N@H+](CCCC(C)(F)F)Cc1ccccc1 ZINC001170096555 1130230384 /nfs/dbraw/zinc/23/03/84/1130230384.db2.gz XMOPGQLMWAAWLP-UHFFFAOYSA-N 1 1 251.320 3.557 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001139313548 1130252325 /nfs/dbraw/zinc/25/23/25/1130252325.db2.gz CGTZJEGEKOMESO-SNVBAGLBSA-N 1 1 299.237 3.636 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2sccc2Br)CC1 ZINC001139313548 1130252330 /nfs/dbraw/zinc/25/23/30/1130252330.db2.gz CGTZJEGEKOMESO-SNVBAGLBSA-N 1 1 299.237 3.636 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000789762023 1130274949 /nfs/dbraw/zinc/27/49/49/1130274949.db2.gz QNWIIFJYMJVHIL-MRXNPFEDSA-N 1 1 287.451 3.555 20 30 CHEDMO Cc1ccnc(C#N)c1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240390462 1130287685 /nfs/dbraw/zinc/28/76/85/1130287685.db2.gz OKSDXBKWDUTPDT-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO C=CCCSCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826915835 1130310396 /nfs/dbraw/zinc/31/03/96/1130310396.db2.gz XALLPHZPTCFUCR-UHFFFAOYSA-N 1 1 289.803 3.584 20 30 CHEDMO COCC#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000677818399 1130333920 /nfs/dbraw/zinc/33/39/20/1130333920.db2.gz LSXAVNNCJNGQRS-INIZCTEOSA-N 1 1 299.439 3.961 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)C1 ZINC001170151814 1130360181 /nfs/dbraw/zinc/36/01/81/1130360181.db2.gz SHBJONJAKMIUPB-HYVNUMGLSA-N 1 1 284.403 3.590 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1OC ZINC000678240091 1130378581 /nfs/dbraw/zinc/37/85/81/1130378581.db2.gz SVOZITPJPDYPAO-MRXNPFEDSA-N 1 1 287.403 3.634 20 30 CHEDMO CCCCCCCCCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001137330670 1130392893 /nfs/dbraw/zinc/39/28/93/1130392893.db2.gz XPXDCLPFKYSBQW-SFHVURJKSA-N 1 1 294.483 3.729 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(F)cc12 ZINC001137341310 1130430528 /nfs/dbraw/zinc/43/05/28/1130430528.db2.gz HUZBDLVDBDTBFK-UWEBFBLFSA-N 1 1 283.350 3.574 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000792156434 1130432848 /nfs/dbraw/zinc/43/28/48/1130432848.db2.gz FEXJWKWIOIRNJV-UHFFFAOYSA-N 1 1 286.419 3.847 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000792156434 1130432851 /nfs/dbraw/zinc/43/28/51/1130432851.db2.gz FEXJWKWIOIRNJV-UHFFFAOYSA-N 1 1 286.419 3.847 20 30 CHEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)Cc2ccccc21 ZINC000792204901 1130437924 /nfs/dbraw/zinc/43/79/24/1130437924.db2.gz IOGQGSXWRXOGNV-INIZCTEOSA-N 1 1 261.368 3.657 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)C(C)C ZINC000792205923 1130439853 /nfs/dbraw/zinc/43/98/53/1130439853.db2.gz AZVASFBOSGXXJV-UHFFFAOYSA-N 1 1 269.392 3.577 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000792269654 1130442650 /nfs/dbraw/zinc/44/26/50/1130442650.db2.gz SJHFNVBGKIHRII-IRXDYDNUSA-N 1 1 294.483 3.728 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000678714708 1130447406 /nfs/dbraw/zinc/44/74/06/1130447406.db2.gz KZELZPWJJBQBTD-CQSZACIVSA-N 1 1 277.408 3.880 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc1F ZINC001139529481 1130465434 /nfs/dbraw/zinc/46/54/34/1130465434.db2.gz UBCYXAOSBQJNHD-UHFFFAOYSA-N 1 1 290.357 3.802 20 30 CHEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](C#N)CC1 ZINC001170286936 1130479052 /nfs/dbraw/zinc/47/90/52/1130479052.db2.gz FVBQXYULWUOEGH-KBPBESRZSA-N 1 1 276.811 3.897 20 30 CHEDMO COc1cccc2c1C[N@@H+](CCC1(C#N)CCCCC1)CC2 ZINC001170342284 1130486782 /nfs/dbraw/zinc/48/67/82/1130486782.db2.gz LZGAQMKVZCGURU-UHFFFAOYSA-N 1 1 298.430 3.917 20 30 CHEDMO CC[N@@H+](CCC#N)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387658 1130487700 /nfs/dbraw/zinc/48/77/00/1130487700.db2.gz ZEAVZMDGADYWDP-UHFFFAOYSA-N 1 1 281.403 3.626 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@H](c1ccccc1F)C1CCC1 ZINC001255156268 1130495361 /nfs/dbraw/zinc/49/53/61/1130495361.db2.gz HRDTZDGGMPJXDG-BBRMVZONSA-N 1 1 260.356 3.949 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000793353347 1130543536 /nfs/dbraw/zinc/54/35/36/1130543536.db2.gz SDKRBJBNECHSEL-GDBMZVCRSA-N 1 1 286.419 3.988 20 30 CHEDMO CC[C@H](CC#N)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001255175642 1130550825 /nfs/dbraw/zinc/55/08/25/1130550825.db2.gz SKANNOGKVOGQQM-DZGCQCFKSA-N 1 1 262.784 3.822 20 30 CHEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001255175642 1130550830 /nfs/dbraw/zinc/55/08/30/1130550830.db2.gz SKANNOGKVOGQQM-DZGCQCFKSA-N 1 1 262.784 3.822 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000793545868 1130567505 /nfs/dbraw/zinc/56/75/05/1130567505.db2.gz DJCSKUSLXLSUBQ-KBPBESRZSA-N 1 1 263.429 3.764 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000811516353 1130620412 /nfs/dbraw/zinc/62/04/12/1130620412.db2.gz MBUZXRDPBBGGMY-KRWDZBQOSA-N 1 1 285.774 3.813 20 30 CHEDMO C=C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759148165 1130639218 /nfs/dbraw/zinc/63/92/18/1130639218.db2.gz OUFHIZGYVNYLCC-AWEZNQCLSA-N 1 1 286.202 3.679 20 30 CHEDMO C=C(C)C[C@@H](Oc1cccc2c1CC[N@H+](C)C2)C(=C)C ZINC001234424474 1130642831 /nfs/dbraw/zinc/64/28/31/1130642831.db2.gz QTJMQRWVJMOYOY-GOSISDBHSA-N 1 1 271.404 3.964 20 30 CHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000759337988 1130652150 /nfs/dbraw/zinc/65/21/50/1130652150.db2.gz LTKWBIMZNDOSRV-UHFFFAOYSA-N 1 1 280.799 3.565 20 30 CHEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000759389904 1130654459 /nfs/dbraw/zinc/65/44/59/1130654459.db2.gz CYPGANPDCCMPFC-QGZVFWFLSA-N 1 1 286.419 3.847 20 30 CHEDMO C=C(Br)C[N@H+]1CCCC12CCCCC2 ZINC000759402200 1130655052 /nfs/dbraw/zinc/65/50/52/1130655052.db2.gz YIQHWXUYUMRMRJ-UHFFFAOYSA-N 1 1 258.203 3.694 20 30 CHEDMO C=CC[C@@H](CC)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796976250 1130664492 /nfs/dbraw/zinc/66/44/92/1130664492.db2.gz AKXYAGOGCGAADU-OCCSQVGLSA-N 1 1 251.345 3.927 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234999530 1130699990 /nfs/dbraw/zinc/69/99/90/1130699990.db2.gz WGNLDIDDIVHYKH-LJQANCHMSA-N 1 1 292.382 3.795 20 30 CHEDMO CC[N@H+](CCC#N)Cc1cccc(-c2ccccc2)c1O ZINC001234995081 1130700232 /nfs/dbraw/zinc/70/02/32/1130700232.db2.gz IUIMTPLUIDCHEK-UHFFFAOYSA-N 1 1 280.371 3.795 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1cccc(-c2ccccc2)c1O ZINC001234995081 1130700238 /nfs/dbraw/zinc/70/02/38/1130700238.db2.gz IUIMTPLUIDCHEK-UHFFFAOYSA-N 1 1 280.371 3.795 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996738 1130700779 /nfs/dbraw/zinc/70/07/79/1130700779.db2.gz NCWQLMIZPXWEHB-OAHLLOKOSA-N 1 1 292.382 3.795 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(Oc2cccnc2)cc1 ZINC001235123512 1130713646 /nfs/dbraw/zinc/71/36/46/1130713646.db2.gz VJTOEPCNACIXNA-UHFFFAOYSA-N 1 1 295.386 4.000 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(Oc2cccnc2)cc1 ZINC001235123512 1130713649 /nfs/dbraw/zinc/71/36/49/1130713649.db2.gz VJTOEPCNACIXNA-UHFFFAOYSA-N 1 1 295.386 4.000 20 30 CHEDMO C#C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccc(F)cc1 ZINC000812792466 1130714755 /nfs/dbraw/zinc/71/47/55/1130714755.db2.gz AUYLOHBDYYUGSN-SFHVURJKSA-N 1 1 293.341 3.566 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc(OCC)c1)c1ccc(F)cc1 ZINC000812792633 1130715099 /nfs/dbraw/zinc/71/50/99/1130715099.db2.gz FLEVPFMUHWZWNR-GOSISDBHSA-N 1 1 283.346 3.689 20 30 CHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849233 1130722801 /nfs/dbraw/zinc/72/28/01/1130722801.db2.gz MMNPLUKYMKQMBC-KXBFYZLASA-N 1 1 294.398 3.502 20 30 CHEDMO C=CCCCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235257196 1130729231 /nfs/dbraw/zinc/72/92/31/1130729231.db2.gz WRSKYMPSRNYTII-IRXDYDNUSA-N 1 1 264.457 3.587 20 30 CHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCC[C@H]1C ZINC000781924609 1130749166 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C#Cc1ccc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001144576532 1131661938 /nfs/dbraw/zinc/66/19/38/1131661938.db2.gz MJFQKNWDWNQZKR-VQTJNVASSA-N 1 1 296.458 3.507 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(O)cc1Cl ZINC001140083286 1131662523 /nfs/dbraw/zinc/66/25/23/1131662523.db2.gz LTTPSLQQGQRONU-UHFFFAOYSA-N 1 1 253.773 3.834 20 30 CHEDMO C=CC[N@H+](C)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140095888 1131663367 /nfs/dbraw/zinc/66/33/67/1131663367.db2.gz IHTXTGVUVSDKNZ-UHFFFAOYSA-N 1 1 262.353 3.567 20 30 CHEDMO CC1=C[C@H](C)C[C@@H](C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000846005692 1131676589 /nfs/dbraw/zinc/67/65/89/1131676589.db2.gz BRMZCKDGVSEQOT-POZUXBRTSA-N 1 1 298.430 3.516 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1 ZINC001171204668 1131678162 /nfs/dbraw/zinc/67/81/62/1131678162.db2.gz ZNVPDLNBFVZJNR-MRXNPFEDSA-N 1 1 278.399 3.664 20 30 CHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008701 1131678209 /nfs/dbraw/zinc/67/82/09/1131678209.db2.gz 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CCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC001172355213 1132184690 /nfs/dbraw/zinc/18/46/90/1132184690.db2.gz ADGDZKQLBQBTQQ-PMPSAXMXSA-N 1 1 255.446 3.828 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001172358817 1132187252 /nfs/dbraw/zinc/18/72/52/1132187252.db2.gz SFZTUKGBBJARGY-PMPSAXMXSA-N 1 1 255.446 3.828 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2nccc2C1 ZINC001172359775 1132188246 /nfs/dbraw/zinc/18/82/46/1132188246.db2.gz CZQOMVIQWPJSJN-HNNXBMFYSA-N 1 1 263.429 3.838 20 30 CHEDMO C#C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)[C@H](CC)CCCC ZINC001230517235 1132188844 /nfs/dbraw/zinc/18/88/44/1132188844.db2.gz XQOMFIXSIZLNBN-WBMJQRKESA-N 1 1 285.391 3.742 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(C(F)(F)F)cc1OC ZINC001141611481 1132206070 /nfs/dbraw/zinc/20/60/70/1132206070.db2.gz ZDRJQTAULHMRFC-UHFFFAOYSA-N 1 1 285.309 3.888 20 30 CHEDMO C#CC[N@H+](Cc1ccc(-c2ncco2)cc1F)C1CCCC1 ZINC000839502742 1132219434 /nfs/dbraw/zinc/21/94/34/1132219434.db2.gz KPZMNYQGWYZMPK-UHFFFAOYSA-N 1 1 298.361 3.859 20 30 CHEDMO C=CCCC[N@H+](C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839498723 1132219719 /nfs/dbraw/zinc/21/97/19/1132219719.db2.gz VMVFRWVBMACBPZ-OAHLLOKOSA-N 1 1 296.455 3.532 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839652081 1132229189 /nfs/dbraw/zinc/22/91/89/1132229189.db2.gz YZEJWRMTMBYBGQ-NJAFHUGGSA-N 1 1 286.419 3.573 20 30 CHEDMO CCCC[C@](CC)([NH2+][C@H](C)CCCC#N)C(=O)OCC ZINC001172485419 1132230694 /nfs/dbraw/zinc/23/06/94/1132230694.db2.gz QAOHFCMHUNOYIF-ZBFHGGJFSA-N 1 1 282.428 3.560 20 30 CHEDMO CCCC[C@](CC)([NH2+][C@@H](C)CCCC#N)C(=O)OCC ZINC001172485418 1132230861 /nfs/dbraw/zinc/23/08/61/1132230861.db2.gz QAOHFCMHUNOYIF-HOCLYGCPSA-N 1 1 282.428 3.560 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001172497378 1132248388 /nfs/dbraw/zinc/24/83/88/1132248388.db2.gz BKBBBCXGSXEUCU-AWEZNQCLSA-N 1 1 256.393 3.862 20 30 CHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)[C@@H](C)CCCC#N ZINC001172498394 1132248762 /nfs/dbraw/zinc/24/87/62/1132248762.db2.gz MJHSKAJJSFXYLK-LSDHHAIUSA-N 1 1 274.408 3.640 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)CCCC#N)cn1 ZINC001172498367 1132248948 /nfs/dbraw/zinc/24/89/48/1132248948.db2.gz MEHIMZKYZSTNHB-GOEBONIOSA-N 1 1 257.381 3.609 20 30 CHEDMO CC[N@@H+]([C@H](C)CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172500686 1132249672 /nfs/dbraw/zinc/24/96/72/1132249672.db2.gz OGWSWNORLVRSIA-IEBWSBKVSA-N 1 1 299.462 3.665 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001172501086 1132250585 /nfs/dbraw/zinc/25/05/85/1132250585.db2.gz PEUMCCULQCJQRZ-UKRRQHHQSA-N 1 1 260.356 3.697 20 30 CHEDMO C[C@H](CCCC#N)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172505009 1132253825 /nfs/dbraw/zinc/25/38/25/1132253825.db2.gz KKCSIEGJQLPACD-MRXNPFEDSA-N 1 1 291.483 3.798 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172505009 1132253831 /nfs/dbraw/zinc/25/38/31/1132253831.db2.gz KKCSIEGJQLPACD-MRXNPFEDSA-N 1 1 291.483 3.798 20 30 CHEDMO CCCCCCCC[C@@H](CC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001172505645 1132253867 /nfs/dbraw/zinc/25/38/67/1132253867.db2.gz QZGNSUKWIMSOJP-CQSZACIVSA-N 1 1 293.459 3.947 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001172504502 1132255033 /nfs/dbraw/zinc/25/50/33/1132255033.db2.gz FQROTPGZIAXTGF-DLBZAZTESA-N 1 1 294.483 3.822 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@H](C)CCCC#N ZINC001172507471 1132255400 /nfs/dbraw/zinc/25/54/00/1132255400.db2.gz VGIUJFVRSMNEOU-ZBFHGGJFSA-N 1 1 272.392 3.914 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001172507111 1132255450 /nfs/dbraw/zinc/25/54/50/1132255450.db2.gz PEMNVYGUNLFUDR-ZBFHGGJFSA-N 1 1 274.433 3.859 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H](C)CCCC#N ZINC001172507470 1132255803 /nfs/dbraw/zinc/25/58/03/1132255803.db2.gz VGIUJFVRSMNEOU-HOCLYGCPSA-N 1 1 272.392 3.914 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001172506947 1132255848 /nfs/dbraw/zinc/25/58/48/1132255848.db2.gz MKABYJKRDMDMBX-GDBMZVCRSA-N 1 1 289.448 3.720 20 30 CHEDMO CCCCCCC[C@H](CCC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001172508235 1132256128 /nfs/dbraw/zinc/25/61/28/1132256128.db2.gz HWKMCOJZWZMJKW-AWEZNQCLSA-N 1 1 293.459 3.947 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001172508281 1132256539 /nfs/dbraw/zinc/25/65/39/1132256539.db2.gz IHBXAHQXRGZOCL-FUHWJXTLSA-N 1 1 294.483 3.728 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+](CC)CCC(N)=O ZINC001172510492 1132257303 /nfs/dbraw/zinc/25/73/03/1132257303.db2.gz DCBUMCFYPIMERL-HNNXBMFYSA-N 1 1 270.461 3.713 20 30 CHEDMO COc1cccc([C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172510253 1132257338 /nfs/dbraw/zinc/25/73/38/1132257338.db2.gz YMHBCLRYQBIOKC-RDJZCZTQSA-N 1 1 286.419 3.957 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCSc2ccccc2C1 ZINC001172509933 1132257645 /nfs/dbraw/zinc/25/76/45/1132257645.db2.gz SOIRYEWHOAENAJ-CYBMUJFWSA-N 1 1 260.406 3.677 20 30 CHEDMO COc1cccc([C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172510254 1132258085 /nfs/dbraw/zinc/25/80/85/1132258085.db2.gz YMHBCLRYQBIOKC-WBVHZDCISA-N 1 1 286.419 3.957 20 30 CHEDMO CCCCCCCCCCCC[C@H](C)[NH2+]C[C@H](O)CN ZINC001172564526 1132269833 /nfs/dbraw/zinc/26/98/33/1132269833.db2.gz IEDHIYHXCZTFQF-DLBZAZTESA-N 1 1 286.504 3.595 20 30 CHEDMO C[C@H]1CC[N@H+]1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141973088 1132279485 /nfs/dbraw/zinc/27/94/85/1132279485.db2.gz YGIUUEUMFXUYFH-AWEZNQCLSA-N 1 1 267.397 3.742 20 30 CHEDMO C=CC[N@@H+](Cc1c(F)ccc(F)c1OC)C(C)(C)C ZINC001231415674 1132291487 /nfs/dbraw/zinc/29/14/87/1132291487.db2.gz LVNCSTJAYXNNPM-UHFFFAOYSA-N 1 1 269.335 3.760 20 30 CHEDMO C=CC[N@H+](Cc1c(F)ccc(F)c1OC)C(C)(C)C ZINC001231415674 1132291492 /nfs/dbraw/zinc/29/14/92/1132291492.db2.gz LVNCSTJAYXNNPM-UHFFFAOYSA-N 1 1 269.335 3.760 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c(C)c1C ZINC001231495056 1132307164 /nfs/dbraw/zinc/30/71/64/1132307164.db2.gz ZSJKZFVHFWDXAN-GOSISDBHSA-N 1 1 270.420 3.964 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000840977298 1132317160 /nfs/dbraw/zinc/31/71/60/1132317160.db2.gz HCAJPKLZRRUTSF-PBHICJAKSA-N 1 1 284.403 3.599 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001231621166 1132326070 /nfs/dbraw/zinc/32/60/70/1132326070.db2.gz SHDJFXHSPROGOR-HNNXBMFYSA-N 1 1 299.336 3.821 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001231621383 1132328517 /nfs/dbraw/zinc/32/85/17/1132328517.db2.gz ZXGYSAFAIFHNHC-ZWKOTPCHSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001231621383 1132328523 /nfs/dbraw/zinc/32/85/23/1132328523.db2.gz ZXGYSAFAIFHNHC-ZWKOTPCHSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001231622029 1132329919 /nfs/dbraw/zinc/32/99/19/1132329919.db2.gz ORMMISMRLSFMKU-DLBZAZTESA-N 1 1 271.404 3.873 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172804608 1132330438 /nfs/dbraw/zinc/33/04/38/1132330438.db2.gz WNQWXBNYHBDNFR-NVXWUHKLSA-N 1 1 293.451 3.929 20 30 CHEDMO C#Cc1cccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c1 ZINC001231660465 1132338646 /nfs/dbraw/zinc/33/86/46/1132338646.db2.gz GZSDRYAIFFQOPO-MRXNPFEDSA-N 1 1 293.410 3.740 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1nc(C)ccc1O ZINC001231672592 1132343163 /nfs/dbraw/zinc/34/31/63/1132343163.db2.gz LEEBRWTZZPEPTJ-UHFFFAOYSA-N 1 1 264.413 3.888 20 30 CHEDMO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001172884198 1132358054 /nfs/dbraw/zinc/35/80/54/1132358054.db2.gz ZMGQDSBUNUURIE-VXGBXAGGSA-N 1 1 280.824 3.666 20 30 CHEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001172884198 1132358059 /nfs/dbraw/zinc/35/80/59/1132358059.db2.gz ZMGQDSBUNUURIE-VXGBXAGGSA-N 1 1 280.824 3.666 20 30 CHEDMO C=CC[N@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C(C)(C)C ZINC001172971571 1132371256 /nfs/dbraw/zinc/37/12/56/1132371256.db2.gz PTRAMUKQEFCTAS-AWEZNQCLSA-N 1 1 298.471 3.918 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173066423 1132382648 /nfs/dbraw/zinc/38/26/48/1132382648.db2.gz QDGLHHLMEAXSFM-CABCVRRESA-N 1 1 296.455 3.672 20 30 CHEDMO COc1cccc2c(C[N@@H+](CCC#N)C3CCCC3)c[nH]c21 ZINC001231898020 1132396268 /nfs/dbraw/zinc/39/62/68/1132396268.db2.gz ZFIATVDVZPDXJO-UHFFFAOYSA-N 1 1 297.402 3.835 20 30 CHEDMO Cc1cc(Br)cc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000841895816 1132402114 /nfs/dbraw/zinc/40/21/14/1132402114.db2.gz CMHGRMWHUGMSTJ-UHFFFAOYSA-N 1 1 293.208 3.541 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173203093 1132408585 /nfs/dbraw/zinc/40/85/85/1132408585.db2.gz IIUQGMSOSBRQAE-LRYGQEGESA-N 1 1 283.415 3.722 20 30 CHEDMO C=CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001173231209 1132413985 /nfs/dbraw/zinc/41/39/85/1132413985.db2.gz KKHVTBIBTPKKMH-ZDUSSCGKSA-N 1 1 276.380 3.812 20 30 CHEDMO CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001173244014 1132417929 /nfs/dbraw/zinc/41/79/29/1132417929.db2.gz RKLWJVADZOMONL-CRAIPNDOSA-N 1 1 270.420 3.806 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(CC)cc1 ZINC001173242327 1132442840 /nfs/dbraw/zinc/44/28/40/1132442840.db2.gz FLLNAROKLZZIOW-HNNXBMFYSA-N 1 1 258.409 3.806 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc(COC)n1 ZINC001232255398 1132443741 /nfs/dbraw/zinc/44/37/41/1132443741.db2.gz FSZARLQRXHDALD-UHFFFAOYSA-N 1 1 264.413 3.630 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(Cl)c(OC)cc1O ZINC001232265155 1132446520 /nfs/dbraw/zinc/44/65/20/1132446520.db2.gz QUWMYAFGKSDVTH-UHFFFAOYSA-N 1 1 296.798 3.570 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(Cl)c(OC)cc1O ZINC001232265155 1132446524 /nfs/dbraw/zinc/44/65/24/1132446524.db2.gz QUWMYAFGKSDVTH-UHFFFAOYSA-N 1 1 296.798 3.570 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(O)c2ncccc12 ZINC001232278107 1132449107 /nfs/dbraw/zinc/44/91/07/1132449107.db2.gz ZTYBQNIKFAEGTO-UHFFFAOYSA-N 1 1 270.376 3.729 20 30 CHEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001173285311 1132456865 /nfs/dbraw/zinc/45/68/65/1132456865.db2.gz VTDHFHOJVPBYRU-SUMDDJOVSA-N 1 1 298.430 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C=CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000338568473 262547727 /nfs/dbraw/zinc/54/77/27/262547727.db2.gz NEWBLAVQZYHLPH-JTQLQIEISA-N 1 1 290.354 3.917 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035163411 172024830 /nfs/dbraw/zinc/02/48/30/172024830.db2.gz FSIMXDFYCROOJS-GDBMZVCRSA-N 1 1 254.377 3.570 20 30 CHEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000077012544 177147824 /nfs/dbraw/zinc/14/78/24/177147824.db2.gz SDULJNVHEJFUKX-UHFFFAOYSA-N 1 1 280.371 3.611 20 30 CHEDMO N#Cc1csc(C[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000344949254 225213457 /nfs/dbraw/zinc/21/34/57/225213457.db2.gz HBCNVUNPUAFGHS-UHFFFAOYSA-N 1 1 295.367 3.565 20 30 CHEDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000348009075 226395425 /nfs/dbraw/zinc/39/54/25/226395425.db2.gz RHBMCJKXWRNUSV-KBPBESRZSA-N 1 1 281.359 3.835 20 30 CHEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000348009076 226395814 /nfs/dbraw/zinc/39/58/14/226395814.db2.gz RHBMCJKXWRNUSV-KGLIPLIRSA-N 1 1 281.359 3.835 20 30 CHEDMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000350394695 227005323 /nfs/dbraw/zinc/00/53/23/227005323.db2.gz RUAKZWVQQHLJGW-ZWNOBZJWSA-N 1 1 289.429 3.653 20 30 CHEDMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000350394691 227005795 /nfs/dbraw/zinc/00/57/95/227005795.db2.gz RUAKZWVQQHLJGW-GXFFZTMASA-N 1 1 289.429 3.653 20 30 CHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cscn1 ZINC000336463483 227035982 /nfs/dbraw/zinc/03/59/82/227035982.db2.gz QWTTYGCNDFGUFN-MRXNPFEDSA-N 1 1 283.400 3.572 20 30 CHEDMO Cc1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000336529358 227096520 /nfs/dbraw/zinc/09/65/20/227096520.db2.gz CKJCKVYEDZTDPU-UHFFFAOYSA-N 1 1 295.411 3.613 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)CC12CCC2 ZINC000354916680 227231456 /nfs/dbraw/zinc/23/14/56/227231456.db2.gz HWJGIJBDXFRZQD-GFCCVEGCSA-N 1 1 260.406 3.632 20 30 CHEDMO Cc1ccccc1[C@H]([NH2+]Cc1nc(C#N)cs1)C1CC1 ZINC000352837997 227313314 /nfs/dbraw/zinc/31/33/14/227313314.db2.gz CXCJHBHPEYMXRV-MRXNPFEDSA-N 1 1 283.400 3.564 20 30 CHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000113924980 228043220 /nfs/dbraw/zinc/04/32/20/228043220.db2.gz PBMHEQABRKHGTQ-WMZOPIPTSA-N 1 1 297.446 3.649 20 30 CHEDMO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330251205 228080972 /nfs/dbraw/zinc/08/09/72/228080972.db2.gz HLMYWNJVKLRXHM-HNNXBMFYSA-N 1 1 297.358 3.556 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000353657901 228141181 /nfs/dbraw/zinc/14/11/81/228141181.db2.gz VEHRYDQGSXEYMO-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1F ZINC000353657901 228141182 /nfs/dbraw/zinc/14/11/82/228141182.db2.gz VEHRYDQGSXEYMO-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCCC#N ZINC000351929609 228166716 /nfs/dbraw/zinc/16/67/16/228166716.db2.gz ZWNMZFSVMAJFDU-LLVKDONJSA-N 1 1 293.208 3.672 20 30 CHEDMO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCCC#N ZINC000351929609 228166717 /nfs/dbraw/zinc/16/67/17/228166717.db2.gz ZWNMZFSVMAJFDU-LLVKDONJSA-N 1 1 293.208 3.672 20 30 CHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCCC#N ZINC000055055421 260219599 /nfs/dbraw/zinc/21/95/99/260219599.db2.gz UYGILOMHNBTJIT-UHFFFAOYSA-N 1 1 296.418 3.533 20 30 CHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCCC#N ZINC000055055421 260219601 /nfs/dbraw/zinc/21/96/01/260219601.db2.gz UYGILOMHNBTJIT-UHFFFAOYSA-N 1 1 296.418 3.533 20 30 CHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087771025 260226292 /nfs/dbraw/zinc/22/62/92/260226292.db2.gz KYFYBRBHPXSASZ-WMZOPIPTSA-N 1 1 284.403 3.592 20 30 CHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCCSCC#N ZINC000074991532 260289631 /nfs/dbraw/zinc/28/96/31/260289631.db2.gz BQTYXZDLGRUXNM-MRXNPFEDSA-N 1 1 276.449 3.586 20 30 CHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCCC#N)C1 ZINC000075843313 260291731 /nfs/dbraw/zinc/29/17/31/260291731.db2.gz FVFPRDPJBJXYOU-BBRMVZONSA-N 1 1 260.356 3.902 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129448457 260387216 /nfs/dbraw/zinc/38/72/16/260387216.db2.gz KRZQHJQTCXSPDR-LLVKDONJSA-N 1 1 274.261 3.626 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133522517 260905136 /nfs/dbraw/zinc/90/51/36/260905136.db2.gz TWOJDXYHHGAAHI-UHFFFAOYSA-N 1 1 296.418 3.838 20 30 CHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCCC#N)CCC2 ZINC000152650975 261067491 /nfs/dbraw/zinc/06/74/91/261067491.db2.gz LKIIBIQMECMBIF-ZDUSSCGKSA-N 1 1 277.437 3.709 20 30 CHEDMO C[N@@H+](CCCc1ccsc1)Cc1cccc(C#N)c1 ZINC000361021333 261149251 /nfs/dbraw/zinc/14/92/51/261149251.db2.gz VBIMNKFJVPHHNQ-UHFFFAOYSA-N 1 1 270.401 3.684 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)CC1(COC)CCC1 ZINC000361291200 261193934 /nfs/dbraw/zinc/19/39/34/261193934.db2.gz WDUCOKDGGKWBNH-UHFFFAOYSA-N 1 1 277.383 3.630 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000174814258 261197076 /nfs/dbraw/zinc/19/70/76/261197076.db2.gz VNHKGZZWLKMNHB-UHFFFAOYSA-N 1 1 299.462 3.524 20 30 CHEDMO CC(C)(C#N)CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000174814258 261197077 /nfs/dbraw/zinc/19/70/77/261197077.db2.gz VNHKGZZWLKMNHB-UHFFFAOYSA-N 1 1 299.462 3.524 20 30 CHEDMO CC(C)(C#N)CCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000174814258 261197079 /nfs/dbraw/zinc/19/70/79/261197079.db2.gz VNHKGZZWLKMNHB-UHFFFAOYSA-N 1 1 299.462 3.524 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000174876434 261201220 /nfs/dbraw/zinc/20/12/20/261201220.db2.gz LYRZNWBSCFGZSD-INIZCTEOSA-N 1 1 278.440 3.740 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000174880568 261201268 /nfs/dbraw/zinc/20/12/68/261201268.db2.gz OUXPFUQLNLRJKR-UONOGXRCSA-N 1 1 268.470 3.922 20 30 CHEDMO CC1CCC([N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000229956671 261242364 /nfs/dbraw/zinc/24/23/64/261242364.db2.gz XQDGRYHPLTVIIG-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO N#CCC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000334347459 261248156 /nfs/dbraw/zinc/24/81/56/261248156.db2.gz XLGVMORHFRYKEU-UHFFFAOYSA-N 1 1 266.747 3.605 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCO1 ZINC000102670116 261270464 /nfs/dbraw/zinc/27/04/64/261270464.db2.gz OZOJZLGCPJAVPO-NSHDSACASA-N 1 1 271.813 3.569 20 30 CHEDMO C[C@H](CNc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000301285711 261332959 /nfs/dbraw/zinc/33/29/59/261332959.db2.gz VFUFEZXJZYDTMN-CQSZACIVSA-N 1 1 297.377 3.630 20 30 CHEDMO C[C@@H](CNc1ccc(F)cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301408644 261333641 /nfs/dbraw/zinc/33/36/41/261333641.db2.gz WTDJWYBJJZLMIJ-AWEZNQCLSA-N 1 1 297.377 3.630 20 30 CHEDMO COC1(C[N@@H+](CCC#N)CC(C)(C)C)CCCCC1 ZINC000361570113 261342163 /nfs/dbraw/zinc/34/21/63/261342163.db2.gz AGJNNLJWMBIYAF-UHFFFAOYSA-N 1 1 266.429 3.597 20 30 CHEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)o1 ZINC000174331876 261567033 /nfs/dbraw/zinc/56/70/33/261567033.db2.gz DYWPMBIWHCBXDZ-MRXNPFEDSA-N 1 1 284.359 3.791 20 30 CHEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)cc(Cl)c1OC ZINC000184083934 262008224 /nfs/dbraw/zinc/00/82/24/262008224.db2.gz ZBQGNOXJULKIGM-GFCCVEGCSA-N 1 1 296.798 3.529 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(C)s1)c1ccc(F)cc1 ZINC000491774317 262028551 /nfs/dbraw/zinc/02/85/51/262028551.db2.gz UBWDKLRTAHMAQN-OAHLLOKOSA-N 1 1 259.349 3.660 20 30 CHEDMO CSC[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000310044685 262077284 /nfs/dbraw/zinc/07/72/84/262077284.db2.gz LRIQEXKKRMDQSO-ZDUSSCGKSA-N 1 1 254.443 3.534 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000228719680 262343536 /nfs/dbraw/zinc/34/35/36/262343536.db2.gz XWXSNPHPHBKFAR-CZUORRHYSA-N 1 1 274.795 3.976 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000411308268 262688140 /nfs/dbraw/zinc/68/81/40/262688140.db2.gz ICRHIGMWIHHLGB-INMHGKMJSA-N 1 1 256.393 3.804 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H](C3CCOCC3)C2)CCCCC1 ZINC000411406621 262692786 /nfs/dbraw/zinc/69/27/86/262692786.db2.gz JSHKBQRAMHTQMQ-QGZVFWFLSA-N 1 1 290.451 3.599 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCCCC#N)C(C)C)cc1 ZINC000263842729 262855531 /nfs/dbraw/zinc/85/55/31/262855531.db2.gz YUXWCUCLMXIWGD-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC000268910201 262960059 /nfs/dbraw/zinc/96/00/59/262960059.db2.gz MVKHHMVQKUEBCU-WDEREUQCSA-N 1 1 281.197 3.602 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC000268910201 262960061 /nfs/dbraw/zinc/96/00/61/262960061.db2.gz MVKHHMVQKUEBCU-WDEREUQCSA-N 1 1 281.197 3.602 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271989050 263000969 /nfs/dbraw/zinc/00/09/69/263000969.db2.gz DGCMOGZIXFBWKG-KGLIPLIRSA-N 1 1 292.448 3.576 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272474484 263004949 /nfs/dbraw/zinc/00/49/49/263004949.db2.gz BBTJVPBNLIXIEU-MRXNPFEDSA-N 1 1 286.419 3.717 20 30 CHEDMO C[C@H]1COc2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000272885311 263009575 /nfs/dbraw/zinc/00/95/75/263009575.db2.gz CYMPWHALQNYYAI-AWEZNQCLSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000272904812 263009891 /nfs/dbraw/zinc/00/98/91/263009891.db2.gz GSHLPZOKIIAMFB-JLSDUUJJSA-N 1 1 284.403 3.599 20 30 CHEDMO CCc1cc(N[C@@H](CCC#N)c2ccccc2)nc(C)[nH+]1 ZINC000272938013 263010216 /nfs/dbraw/zinc/01/02/16/263010216.db2.gz WKZAIIURTZGTEP-INIZCTEOSA-N 1 1 280.375 3.804 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000276322618 263035945 /nfs/dbraw/zinc/03/59/45/263035945.db2.gz PEVZMRARDIVYKS-LBPRGKRZSA-N 1 1 295.224 3.616 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ncc(-c2ccccc2)o1 ZINC000274416482 263023954 /nfs/dbraw/zinc/02/39/54/263023954.db2.gz HYLHSVFBAVNOIT-GZBFAFLISA-N 1 1 281.359 3.684 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000276304787 263035920 /nfs/dbraw/zinc/03/59/20/263035920.db2.gz KUGQHOCCUOIIBB-HUUCEWRRSA-N 1 1 274.433 3.793 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000277843246 263043972 /nfs/dbraw/zinc/04/39/72/263043972.db2.gz XCJUKVCKEBGEKI-INIZCTEOSA-N 1 1 271.408 3.939 20 30 CHEDMO 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ZINC000274867681 330108111 /nfs/dbraw/zinc/10/81/11/330108111.db2.gz WFYPNRQEZDVJHD-LBPRGKRZSA-N 1 1 287.329 3.505 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000276149413 330112393 /nfs/dbraw/zinc/11/23/93/330112393.db2.gz OTFFPOXMHJQAPG-GFCCVEGCSA-N 1 1 269.797 3.574 20 30 CHEDMO C=CCC[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000276356799 330113353 /nfs/dbraw/zinc/11/33/53/330113353.db2.gz FFLKGPAHPBTSCI-UHFFFAOYSA-N 1 1 278.302 3.628 20 30 CHEDMO C#CCCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000277146715 330115474 /nfs/dbraw/zinc/11/54/74/330115474.db2.gz VDGXQQJODFGUDG-UHFFFAOYSA-N 1 1 278.399 3.540 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)cc2F)CC1(C)C ZINC000580442194 330135717 /nfs/dbraw/zinc/13/57/17/330135717.db2.gz GBKUFCAJVKSDNS-HNNXBMFYSA-N 1 1 260.356 3.564 20 30 CHEDMO C=CCc1cccc(F)c1OCCCn1cc[nH+]c1C ZINC000424103861 330233934 /nfs/dbraw/zinc/23/39/34/330233934.db2.gz RFDLFCOAHRNJMZ-UHFFFAOYSA-N 1 1 274.339 3.528 20 30 CHEDMO C[C@H](C[N@@H+](C)Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000528774609 330286195 /nfs/dbraw/zinc/28/61/95/330286195.db2.gz SDCRCZZDUDQKPJ-CQSZACIVSA-N 1 1 271.408 3.601 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(C#N)c1 ZINC000528036820 330303123 /nfs/dbraw/zinc/30/31/23/330303123.db2.gz YLMBLPQNZWESOJ-RYUDHWBXSA-N 1 1 269.323 3.504 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(C#N)cc1 ZINC000528036816 330303167 /nfs/dbraw/zinc/30/31/67/330303167.db2.gz YESWJQFFKDWEDN-LRDDRELGSA-N 1 1 283.350 3.894 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000532979451 330323611 /nfs/dbraw/zinc/32/36/11/330323611.db2.gz JSOPMHPOACQRQJ-HNNXBMFYSA-N 1 1 274.408 3.528 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000044368486 330329490 /nfs/dbraw/zinc/32/94/90/330329490.db2.gz GQWPQYLBEYJMQN-KRWDZBQOSA-N 1 1 284.403 3.592 20 30 CHEDMO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424334554 330343151 /nfs/dbraw/zinc/34/31/51/330343151.db2.gz VURXEJAUGFKQTP-SDDRHHMPSA-N 1 1 263.410 3.609 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000533288774 330355983 /nfs/dbraw/zinc/35/59/83/330355983.db2.gz ZWTXJUAQYJPXRN-INIZCTEOSA-N 1 1 288.435 3.716 20 30 CHEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000055024109 330361074 /nfs/dbraw/zinc/36/10/74/330361074.db2.gz BAZULNFSISOMIX-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(F)cc1C#N)C(C)C ZINC000120890773 330391969 /nfs/dbraw/zinc/39/19/69/330391969.db2.gz XKTGKYVLKXVEFC-KRWDZBQOSA-N 1 1 297.377 3.888 20 30 CHEDMO C=C(C)C[NH+]1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000441488908 330770138 /nfs/dbraw/zinc/77/01/38/330770138.db2.gz RQGRCIFAEDXUKO-QGZVFWFLSA-N 1 1 294.389 3.610 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015061 331011739 /nfs/dbraw/zinc/01/17/39/331011739.db2.gz KHGCEIJREDMJRZ-INIZCTEOSA-N 1 1 269.392 3.974 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015061 331011740 /nfs/dbraw/zinc/01/17/40/331011740.db2.gz KHGCEIJREDMJRZ-INIZCTEOSA-N 1 1 269.392 3.974 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015061 331011741 /nfs/dbraw/zinc/01/17/41/331011741.db2.gz KHGCEIJREDMJRZ-INIZCTEOSA-N 1 1 269.392 3.974 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023603 331012233 /nfs/dbraw/zinc/01/22/33/331012233.db2.gz GENCDLQHAZVHSS-HNNXBMFYSA-N 1 1 256.393 3.916 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451344583 331025016 /nfs/dbraw/zinc/02/50/16/331025016.db2.gz QAIDHCJVHMRIDK-FDPIWHGQSA-N 1 1 298.430 3.635 20 30 CHEDMO CCCC[N@@H+](CCCSCC#N)[C@@H]1CCCC[C@H]1OC ZINC000451648605 331037789 /nfs/dbraw/zinc/03/77/89/331037789.db2.gz FJJZAMSILJUIRR-HZPDHXFCSA-N 1 1 298.496 3.693 20 30 CHEDMO C=CCCCCC[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451883659 331046125 /nfs/dbraw/zinc/04/61/25/331046125.db2.gz VKEIITWPRZBFRU-AWEZNQCLSA-N 1 1 292.389 3.549 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451968649 331048925 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ZINC000459438718 331281404 /nfs/dbraw/zinc/28/14/04/331281404.db2.gz DBFWVXXMKVESKI-UHFFFAOYSA-N 1 1 299.374 3.623 20 30 CHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC(C)(C)C#N ZINC000459492196 331284810 /nfs/dbraw/zinc/28/48/10/331284810.db2.gz VVPFQZYZIVCTKQ-ZDUSSCGKSA-N 1 1 256.393 3.718 20 30 CHEDMO C=C(C)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671208 331293379 /nfs/dbraw/zinc/29/33/79/331293379.db2.gz WBQSOKSQOOIEMA-CYBMUJFWSA-N 1 1 291.357 3.634 20 30 CHEDMO C=C(CC)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671287 331293429 /nfs/dbraw/zinc/29/34/29/331293429.db2.gz WHZSCUQXZHIGIW-ZDUSSCGKSA-N 1 1 291.357 3.634 20 30 CHEDMO CC#CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000462322586 331319655 /nfs/dbraw/zinc/31/96/55/331319655.db2.gz AOBVTVPODRXNMF-OAHLLOKOSA-N 1 1 271.404 3.709 20 30 CHEDMO CC#CCC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000462327920 331319776 /nfs/dbraw/zinc/31/97/76/331319776.db2.gz PWBMTFKEYYHBGC-ZBFHGGJFSA-N 1 1 259.418 3.578 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCOC2)cc1Cl ZINC000463039009 331338224 /nfs/dbraw/zinc/33/82/24/331338224.db2.gz WSSQJZXKDGQFRH-CQSZACIVSA-N 1 1 295.810 3.516 20 30 CHEDMO C=CCOc1cccc(C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000466455724 331397545 /nfs/dbraw/zinc/39/75/45/331397545.db2.gz PAIXQRWYSURXRG-QGZVFWFLSA-N 1 1 299.345 3.614 20 30 CHEDMO Cc1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)ccc1C#N ZINC000488447783 332009922 /nfs/dbraw/zinc/00/99/22/332009922.db2.gz KOJHLYSUSDIURJ-IBGZPJMESA-N 1 1 298.430 3.790 20 30 CHEDMO COCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1CCC[C@@H]1C ZINC000488974982 332036102 /nfs/dbraw/zinc/03/61/02/332036102.db2.gz HBDVTGBUNDCGEK-KBXCAEBGSA-N 1 1 286.419 3.504 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000489423728 332051222 /nfs/dbraw/zinc/05/12/22/332051222.db2.gz HBVCCYTYWTVLDZ-ZDUSSCGKSA-N 1 1 292.810 3.627 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000489423728 332051223 /nfs/dbraw/zinc/05/12/23/332051223.db2.gz HBVCCYTYWTVLDZ-ZDUSSCGKSA-N 1 1 292.810 3.627 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000489448028 332052988 /nfs/dbraw/zinc/05/29/88/332052988.db2.gz LLUHPAXMGFNMFU-ZDUSSCGKSA-N 1 1 292.810 3.709 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000489463204 332054369 /nfs/dbraw/zinc/05/43/69/332054369.db2.gz LWQXVGVMXRHVOH-AWEZNQCLSA-N 1 1 287.382 3.736 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2n1CC ZINC000489463204 332054370 /nfs/dbraw/zinc/05/43/70/332054370.db2.gz LWQXVGVMXRHVOH-AWEZNQCLSA-N 1 1 287.382 3.736 20 30 CHEDMO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CC1(C)C ZINC000489489619 332056080 /nfs/dbraw/zinc/05/60/80/332056080.db2.gz VRXXZKOCMCLVTR-ZDUSSCGKSA-N 1 1 293.208 3.551 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CC1(C)C ZINC000489489619 332056081 /nfs/dbraw/zinc/05/60/81/332056081.db2.gz VRXXZKOCMCLVTR-ZDUSSCGKSA-N 1 1 293.208 3.551 20 30 CHEDMO Cc1ccc(OCC[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000489604839 332061034 /nfs/dbraw/zinc/06/10/34/332061034.db2.gz NWQWWVILMRTJHA-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO Cc1ccc(OCC[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000489604839 332061035 /nfs/dbraw/zinc/06/10/35/332061035.db2.gz NWQWWVILMRTJHA-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1(C)CCCC1 ZINC000490106528 332081278 /nfs/dbraw/zinc/08/12/78/332081278.db2.gz UBQUTFJHIKSNND-UHFFFAOYSA-N 1 1 294.345 3.924 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(F)c1F ZINC000491356639 332196102 /nfs/dbraw/zinc/19/61/02/332196102.db2.gz PMNFSUJDOFTJBW-UHFFFAOYSA-N 1 1 277.314 3.789 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1 ZINC000491628541 332251678 /nfs/dbraw/zinc/25/16/78/332251678.db2.gz KTKRLLUYYVAKJC-MRXNPFEDSA-N 1 1 295.773 3.680 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(F)cc1 ZINC000491639439 332259499 /nfs/dbraw/zinc/25/94/99/332259499.db2.gz WODDFGUDEXKGPT-QGZVFWFLSA-N 1 1 278.330 3.771 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000491739491 332318856 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C[C@]1(F)CCCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112534 1132424374 /nfs/dbraw/zinc/42/43/74/1132424374.db2.gz XEOKNDVBHFLWBT-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO N#CCC1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001173338215 1132465702 /nfs/dbraw/zinc/46/57/02/1132465702.db2.gz BJLBRTDUKSWVKF-UHFFFAOYSA-N 1 1 260.406 3.579 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC001207896063 1133856449 /nfs/dbraw/zinc/85/64/49/1133856449.db2.gz JFVXFVMJYOZPKM-UHFFFAOYSA-N 1 1 294.483 3.847 20 30 CHEDMO C=CCCCCCCCC[N@H+](C)Cc1cnccn1 ZINC001209444574 1134021729 /nfs/dbraw/zinc/02/17/29/1134021729.db2.gz USQHZYGPRRUECN-UHFFFAOYSA-N 1 1 261.413 3.825 20 30 CHEDMO C=CCCCCCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224364620 1135442380 /nfs/dbraw/zinc/44/23/80/1135442380.db2.gz YQGSPNIFORSYCJ-MUJYYYPQSA-N 1 1 251.414 3.765 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213982 1125515654 /nfs/dbraw/zinc/51/56/54/1125515654.db2.gz FJPUTTGBJJTLGY-AWEZNQCLSA-N 1 1 293.208 3.890 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134028448 1125520908 /nfs/dbraw/zinc/52/09/08/1125520908.db2.gz KDOAAGUEWYFVFD-CABCVRRESA-N 1 1 296.455 3.578 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000119597570 1125536604 /nfs/dbraw/zinc/53/66/04/1125536604.db2.gz SJEVFZGZBIGIEK-CYBMUJFWSA-N 1 1 260.381 3.628 20 30 CHEDMO CC[N@@H+](CCCCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000120083148 1125540992 /nfs/dbraw/zinc/54/09/92/1125540992.db2.gz UKJWKXBQSPCZGM-AWEZNQCLSA-N 1 1 260.381 3.772 20 30 CHEDMO Cc1ccc2nc(C[N@H+]3CCC[C@@H](C#N)CC3)ccc2c1 ZINC001137215623 1125595862 /nfs/dbraw/zinc/59/58/62/1125595862.db2.gz DYRDCBDNHBSQQS-OAHLLOKOSA-N 1 1 279.387 3.669 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000533437360 1125607851 /nfs/dbraw/zinc/60/78/51/1125607851.db2.gz IZYLKNPCOPETHM-GFCCVEGCSA-N 1 1 280.799 3.565 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC000533489876 1125610844 /nfs/dbraw/zinc/61/08/44/1125610844.db2.gz QVZHTZSZANFIAL-UHFFFAOYSA-N 1 1 294.345 3.780 20 30 CHEDMO CCC[N@@H+](CCCCC#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246838448 1125650249 /nfs/dbraw/zinc/65/02/49/1125650249.db2.gz CGORNNILHMSDDM-LSDHHAIUSA-N 1 1 266.429 3.596 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000076734568 1125684498 /nfs/dbraw/zinc/68/44/98/1125684498.db2.gz MDGSAQXWHJQYEA-CYBMUJFWSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@H]1CC[N@@H+](CCCSCC#N)[C@H]1c1ccccc1 ZINC000886546057 1125688603 /nfs/dbraw/zinc/68/86/03/1125688603.db2.gz XIWUZFRVWDDEPF-GOEBONIOSA-N 1 1 274.433 3.716 20 30 CHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614963384 1125699550 /nfs/dbraw/zinc/69/95/50/1125699550.db2.gz AZZWYGXAQALGLP-KSSFIOAISA-N 1 1 268.404 3.862 20 30 CHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000614963384 1125699552 /nfs/dbraw/zinc/69/95/52/1125699552.db2.gz AZZWYGXAQALGLP-KSSFIOAISA-N 1 1 268.404 3.862 20 30 CHEDMO COc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000614963959 1125700094 /nfs/dbraw/zinc/70/00/94/1125700094.db2.gz PEVXBQIUXDDTNE-YJBOKZPZSA-N 1 1 286.419 3.999 20 30 CHEDMO COc1cc(C)c([C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000614963959 1125700101 /nfs/dbraw/zinc/70/01/01/1125700101.db2.gz PEVXBQIUXDDTNE-YJBOKZPZSA-N 1 1 286.419 3.999 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000092975924 1125762218 /nfs/dbraw/zinc/76/22/18/1125762218.db2.gz RZJWGNNMZRQWBP-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000092975924 1125762227 /nfs/dbraw/zinc/76/22/27/1125762227.db2.gz RZJWGNNMZRQWBP-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc(-c2ccccn2)c1)CC1CC1 ZINC000093091476 1125763674 /nfs/dbraw/zinc/76/36/74/1125763674.db2.gz YRDKTKPIMGHPGB-UHFFFAOYSA-N 1 1 291.398 3.874 20 30 CHEDMO N#CCC[N@H+](Cc1cccc(-c2ccccn2)c1)CC1CC1 ZINC000093091476 1125763681 /nfs/dbraw/zinc/76/36/81/1125763681.db2.gz YRDKTKPIMGHPGB-UHFFFAOYSA-N 1 1 291.398 3.874 20 30 CHEDMO C=C1CC[NH+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000639483066 1129318812 /nfs/dbraw/zinc/31/88/12/1129318812.db2.gz QDYACSQTJKOCBU-BETUJISGSA-N 1 1 289.341 3.576 20 30 CHEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000736623532 1129377359 /nfs/dbraw/zinc/37/73/59/1129377359.db2.gz MNQVNYYMEZDSPU-AWEZNQCLSA-N 1 1 287.325 3.637 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000739932205 1129409965 /nfs/dbraw/zinc/40/99/65/1129409965.db2.gz YMRLTHLUJQUILZ-HNNXBMFYSA-N 1 1 283.362 3.676 20 30 CHEDMO CCCCCCCCC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000303456874 1129544432 /nfs/dbraw/zinc/54/44/32/1129544432.db2.gz GIKSPGRMUHFDHO-MRXNPFEDSA-N 1 1 282.472 3.728 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001459357724 1129629938 /nfs/dbraw/zinc/62/99/38/1129629938.db2.gz SLSNDRLPIQVIDM-OAHLLOKOSA-N 1 1 261.796 3.956 20 30 CHEDMO CCCCCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169139049 1129702467 /nfs/dbraw/zinc/70/24/67/1129702467.db2.gz LXIFHTCFVVRNBX-BJWYYQGGSA-N 1 1 266.473 3.904 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169139049 1129702470 /nfs/dbraw/zinc/70/24/70/1129702470.db2.gz LXIFHTCFVVRNBX-BJWYYQGGSA-N 1 1 266.473 3.904 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1c(F)cccc1F ZINC001169862001 1129762517 /nfs/dbraw/zinc/76/25/17/1129762517.db2.gz ABNAWZVYSAOZHT-GFCCVEGCSA-N 1 1 251.320 3.548 20 30 CHEDMO C#CCCC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000766904899 1129770576 /nfs/dbraw/zinc/77/05/76/1129770576.db2.gz DTGXAIQFRBALSZ-GDBMZVCRSA-N 1 1 259.418 3.578 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CCC(C)C ZINC000481724897 1126709005 /nfs/dbraw/zinc/70/90/05/1126709005.db2.gz JESTWYYIGYJHDZ-AWEZNQCLSA-N 1 1 267.438 3.533 20 30 CHEDMO Fc1ccc(C#CC[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481736937 1126710735 /nfs/dbraw/zinc/71/07/35/1126710735.db2.gz OMTXKFRQOQBKLS-UHFFFAOYSA-N 1 1 291.369 3.725 20 30 CHEDMO Fc1ccc(C#CC[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481736937 1126710738 /nfs/dbraw/zinc/71/07/38/1126710738.db2.gz OMTXKFRQOQBKLS-UHFFFAOYSA-N 1 1 291.369 3.725 20 30 CHEDMO CC[C@H](C[N@@H+](CC)CC1(C#N)CC1)c1ccccc1 ZINC000481752412 1126712430 /nfs/dbraw/zinc/71/24/30/1126712430.db2.gz CEYRTMPZTUJAIU-OAHLLOKOSA-N 1 1 256.393 3.806 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(C2CCOCC2)no1 ZINC000899993771 1126720513 /nfs/dbraw/zinc/72/05/13/1126720513.db2.gz ONVADUIDFIHIBI-CQSZACIVSA-N 1 1 295.427 3.714 20 30 CHEDMO CC(C)SCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000338236885 1126726588 /nfs/dbraw/zinc/72/65/88/1126726588.db2.gz ZJPOUVYLUAYWTK-UHFFFAOYSA-N 1 1 274.433 3.664 20 30 CHEDMO CCC[N@@H+](CCc1c(C)noc1C)Cc1ccc(C#N)cc1 ZINC000164816350 1129210629 /nfs/dbraw/zinc/21/06/29/1129210629.db2.gz FPWLVPCGWGYIRO-UHFFFAOYSA-N 1 1 297.402 3.618 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CC/C=C/c1ccccc1)C1CC1 ZINC000450618977 1126753126 /nfs/dbraw/zinc/75/31/26/1126753126.db2.gz VZRZJFABYGYSDL-BOSPYUDASA-N 1 1 254.377 3.714 20 30 CHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000174832901 1126773383 /nfs/dbraw/zinc/77/33/83/1126773383.db2.gz LGKUSDYCNZXGTH-INIZCTEOSA-N 1 1 290.407 3.591 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174855157 1126773870 /nfs/dbraw/zinc/77/38/70/1126773870.db2.gz WLTUNSLVDLKBMM-ZDUSSCGKSA-N 1 1 260.381 3.715 20 30 CHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000483283811 1126778817 /nfs/dbraw/zinc/77/88/17/1126778817.db2.gz JDXHQKXJULTDOK-GOSISDBHSA-N 1 1 295.430 3.740 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@H+]1CC#Cc1ccccc1 ZINC000483520899 1126791136 /nfs/dbraw/zinc/79/11/36/1126791136.db2.gz UXJMJKNZYPXJHA-AWEZNQCLSA-N 1 1 267.397 3.719 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CC#Cc1ccccc1 ZINC000483520899 1126791137 /nfs/dbraw/zinc/79/11/37/1126791137.db2.gz UXJMJKNZYPXJHA-AWEZNQCLSA-N 1 1 267.397 3.719 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483553546 1126792520 /nfs/dbraw/zinc/79/25/20/1126792520.db2.gz CDPDSWVHVSTXBH-KRWDZBQOSA-N 1 1 294.373 3.995 20 30 CHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000924787876 1126792570 /nfs/dbraw/zinc/79/25/70/1126792570.db2.gz YKAOADOBSQKTHZ-NHYWBVRUSA-N 1 1 281.359 3.583 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483601761 1126794771 /nfs/dbraw/zinc/79/47/71/1126794771.db2.gz XOXNZUUOYXKGAL-LJQANCHMSA-N 1 1 291.394 3.884 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000483689643 1126797892 /nfs/dbraw/zinc/79/78/92/1126797892.db2.gz VIBLOYPONHBJQF-NJAFHUGGSA-N 1 1 253.389 3.549 20 30 CHEDMO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)CC12CCC2 ZINC000484080202 1126809617 /nfs/dbraw/zinc/80/96/17/1126809617.db2.gz BRUHMDFKVNZMPX-INIZCTEOSA-N 1 1 253.389 3.550 20 30 CHEDMO CC(C)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000178513618 1126815235 /nfs/dbraw/zinc/81/52/35/1126815235.db2.gz SOTNUDVEAAXUTG-UHFFFAOYSA-N 1 1 256.393 3.861 20 30 CHEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224708013 1126816767 /nfs/dbraw/zinc/81/67/67/1126816767.db2.gz VPSNVVLVPIZJSI-VVLHAWIVSA-N 1 1 265.441 3.868 20 30 CHEDMO C=CC[N@H+](CCOC)[C@H](CC)c1ccc(F)cc1F ZINC000484573394 1126828358 /nfs/dbraw/zinc/82/83/58/1126828358.db2.gz JDAIGOVVUHTTIU-OAHLLOKOSA-N 1 1 269.335 3.550 20 30 CHEDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000811520324 1130615940 /nfs/dbraw/zinc/61/59/40/1130615940.db2.gz NAAHLQJJHSIWNY-GJZGRUSLSA-N 1 1 274.408 3.988 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000181738800 1126861072 /nfs/dbraw/zinc/86/10/72/1126861072.db2.gz FENXFOUFXFFMBC-VXGBXAGGSA-N 1 1 285.416 3.989 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000181738762 1126861097 /nfs/dbraw/zinc/86/10/97/1126861097.db2.gz FENXFOUFXFFMBC-NWDGAFQWSA-N 1 1 285.416 3.989 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000904576156 1126861433 /nfs/dbraw/zinc/86/14/33/1126861433.db2.gz GLVFJLNJHGKISD-AGIUHOORSA-N 1 1 263.385 3.719 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000904602459 1126861791 /nfs/dbraw/zinc/86/17/91/1126861791.db2.gz PHVMBEASXWJVFO-GJZGRUSLSA-N 1 1 283.375 3.504 20 30 CHEDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000182045646 1126864805 /nfs/dbraw/zinc/86/48/05/1126864805.db2.gz SLYBXCWGTJQQCV-FUHWJXTLSA-N 1 1 299.462 3.577 20 30 CHEDMO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000182045646 1126864807 /nfs/dbraw/zinc/86/48/07/1126864807.db2.gz SLYBXCWGTJQQCV-FUHWJXTLSA-N 1 1 299.462 3.577 20 30 CHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000182045646 1126864810 /nfs/dbraw/zinc/86/48/10/1126864810.db2.gz SLYBXCWGTJQQCV-FUHWJXTLSA-N 1 1 299.462 3.577 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)Oc2ccccc2)no1 ZINC000904607356 1126862253 /nfs/dbraw/zinc/86/22/53/1126862253.db2.gz OQRWCVXKIJXVOE-GXTWGEPZSA-N 1 1 287.363 3.566 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCCc1ccccc1Cl ZINC000182003242 1126863328 /nfs/dbraw/zinc/86/33/28/1126863328.db2.gz BXGDWYLHOJUUOC-LBPRGKRZSA-N 1 1 250.773 3.507 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ncoc2C)no1 ZINC000904706887 1126867692 /nfs/dbraw/zinc/86/76/92/1126867692.db2.gz FUBSVYICIPURGC-GFCCVEGCSA-N 1 1 292.383 3.783 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cscn2)no1 ZINC000904707640 1126867740 /nfs/dbraw/zinc/86/77/40/1126867740.db2.gz JLQOFFUOWIJGSX-LLVKDONJSA-N 1 1 294.424 3.944 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C)c2F)no1 ZINC000904710106 1126868042 /nfs/dbraw/zinc/86/80/42/1126868042.db2.gz XMLJQQOBDDFKJN-LBPRGKRZSA-N 1 1 275.327 3.540 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000183673983 1126891141 /nfs/dbraw/zinc/89/11/41/1126891141.db2.gz CBLCQXRFJJXENB-INIZCTEOSA-N 1 1 294.398 3.677 20 30 CHEDMO Cc1cccnc1[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000905668322 1126910696 /nfs/dbraw/zinc/91/06/96/1126910696.db2.gz HWSHVCKYAXUIDS-ZBFHGGJFSA-N 1 1 284.407 3.510 20 30 CHEDMO Cc1ncsc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187675336 1126912879 /nfs/dbraw/zinc/91/28/79/1126912879.db2.gz VPRMTAROGCKYHE-LBPRGKRZSA-N 1 1 271.389 3.516 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485548325 1126924952 /nfs/dbraw/zinc/92/49/52/1126924952.db2.gz HNQMOCIVWIPJIJ-ZDUSSCGKSA-N 1 1 262.353 3.862 20 30 CHEDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1cccc(C#N)c1 ZINC000189921654 1126935998 /nfs/dbraw/zinc/93/59/98/1126935998.db2.gz AYOSWTWDOJGYMY-AWEZNQCLSA-N 1 1 265.360 3.536 20 30 CHEDMO CCCO[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189883579 1126936345 /nfs/dbraw/zinc/93/63/45/1126936345.db2.gz VVIMMMBQHQMSTJ-MAUKXSAKSA-N 1 1 286.419 3.900 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(Cl)c1 ZINC000485700705 1126944999 /nfs/dbraw/zinc/94/49/99/1126944999.db2.gz HGPLNYTUSAARPC-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000191369482 1126951400 /nfs/dbraw/zinc/95/14/00/1126951400.db2.gz DLRDYKYKZDHMNJ-INIZCTEOSA-N 1 1 283.375 3.525 20 30 CHEDMO N#Cc1cccc2c1C[N@H+]([C@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590366 1126959542 /nfs/dbraw/zinc/95/95/42/1126959542.db2.gz PRUMFXCBCXIRER-AEFFLSMTSA-N 1 1 278.330 3.569 20 30 CHEDMO N#Cc1cccc2c1C[N@@H+]([C@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590366 1126959545 /nfs/dbraw/zinc/95/95/45/1126959545.db2.gz PRUMFXCBCXIRER-AEFFLSMTSA-N 1 1 278.330 3.569 20 30 CHEDMO Cc1cnc([C@H]([NH2+]Cc2cccc(C#N)c2)C2CC2)s1 ZINC000174546083 1127017153 /nfs/dbraw/zinc/01/71/53/1127017153.db2.gz QZOPKYRGHNSXEF-OAHLLOKOSA-N 1 1 283.400 3.564 20 30 CHEDMO CC[N@@H+](Cc1cnccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000269566276 1127041515 /nfs/dbraw/zinc/04/15/15/1127041515.db2.gz KTIGYVREWSXQAM-HNNXBMFYSA-N 1 1 279.387 3.845 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CCCCO1 ZINC000488193995 1127062057 /nfs/dbraw/zinc/06/20/57/1127062057.db2.gz ADJASVSXVYRIKH-SFHVURJKSA-N 1 1 286.419 3.648 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000271038539 1127066000 /nfs/dbraw/zinc/06/60/00/1127066000.db2.gz GWPJLVGHLFBZOS-ZDUSSCGKSA-N 1 1 266.344 3.877 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(C)(C)CCC#N ZINC000271034141 1127066106 /nfs/dbraw/zinc/06/61/06/1127066106.db2.gz JMYFZZMJVHESRT-GFCCVEGCSA-N 1 1 262.422 3.997 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000489451633 1127104019 /nfs/dbraw/zinc/10/40/19/1127104019.db2.gz UNWLEZMECNWIIO-JKSUJKDBSA-N 1 1 263.425 3.909 20 30 CHEDMO C=C[C@@H](CCCCCCC)OCCC[NH+]1CCOCC1 ZINC001224869355 1127105372 /nfs/dbraw/zinc/10/53/72/1127105372.db2.gz FSSVQZCFTRJMNV-KRWDZBQOSA-N 1 1 283.456 3.640 20 30 CHEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339174667 1127117497 /nfs/dbraw/zinc/11/74/97/1127117497.db2.gz WAVWVADOEDSFNS-ZDUSSCGKSA-N 1 1 281.197 3.557 20 30 CHEDMO CCc1nc(C(C)C)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000339187168 1127118962 /nfs/dbraw/zinc/11/89/62/1127118962.db2.gz WQNBNFGKWAPXSM-UHFFFAOYSA-N 1 1 289.398 3.595 20 30 CHEDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc(C#N)c1 ZINC000348808355 1127128558 /nfs/dbraw/zinc/12/85/58/1127128558.db2.gz LCPVFKQGCFBGGO-GFCCVEGCSA-N 1 1 276.343 3.618 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCSC1 ZINC000348866126 1127132715 /nfs/dbraw/zinc/13/27/15/1127132715.db2.gz FYRKVLNWJFHDEQ-HNNXBMFYSA-N 1 1 293.480 3.595 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000348906632 1127134915 /nfs/dbraw/zinc/13/49/15/1127134915.db2.gz UQBPPWQMBKQISU-LJQANCHMSA-N 1 1 294.398 3.984 20 30 CHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000054993491 1127147165 /nfs/dbraw/zinc/14/71/65/1127147165.db2.gz VWKQJNGMISTSEI-LJQANCHMSA-N 1 1 292.382 3.774 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(OCC)n1 ZINC000349542202 1127153264 /nfs/dbraw/zinc/15/32/64/1127153264.db2.gz LMQQGAWQGHYMLJ-UHFFFAOYSA-N 1 1 288.416 3.730 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(OCC)n1 ZINC000349542202 1127153266 /nfs/dbraw/zinc/15/32/66/1127153266.db2.gz LMQQGAWQGHYMLJ-UHFFFAOYSA-N 1 1 288.416 3.730 20 30 CHEDMO C=CCO[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001320899235 1127168224 /nfs/dbraw/zinc/16/82/24/1127168224.db2.gz RKFHAINHMCYGPY-INIZCTEOSA-N 1 1 279.811 3.550 20 30 CHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000350160724 1127173683 /nfs/dbraw/zinc/17/36/83/1127173683.db2.gz NTRLTCMUNCJJOQ-BBWFWOEESA-N 1 1 291.483 3.654 20 30 CHEDMO C=CC[N@H+](Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000350271998 1127176010 /nfs/dbraw/zinc/17/60/10/1127176010.db2.gz WKSWDUUMWOUSMK-UHFFFAOYSA-N 1 1 262.422 3.951 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000350271998 1127176013 /nfs/dbraw/zinc/17/60/13/1127176013.db2.gz WKSWDUUMWOUSMK-UHFFFAOYSA-N 1 1 262.422 3.951 20 30 CHEDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC(C)(C)C ZINC000156721931 1127178583 /nfs/dbraw/zinc/17/85/83/1127178583.db2.gz WDNZQMYBMDOGQJ-KRWDZBQOSA-N 1 1 288.435 3.596 20 30 CHEDMO N#CC1(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000351199078 1127186623 /nfs/dbraw/zinc/18/66/23/1127186623.db2.gz HGLGQIWHZZKVIJ-AWEZNQCLSA-N 1 1 272.367 3.699 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000351273143 1127186940 /nfs/dbraw/zinc/18/69/40/1127186940.db2.gz VQQOWCZKLVBZKS-QGZVFWFLSA-N 1 1 277.408 3.741 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745706 1131138018 /nfs/dbraw/zinc/13/80/18/1131138018.db2.gz HYDZUZWCVBEXRA-LBPRGKRZSA-N 1 1 262.784 3.834 20 30 CHEDMO C=CCC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000285494538 1127233256 /nfs/dbraw/zinc/23/32/56/1127233256.db2.gz ANZLMDOXXUHDBH-KGLIPLIRSA-N 1 1 275.348 3.593 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1c(F)cncc1F ZINC000285562409 1127237092 /nfs/dbraw/zinc/23/70/92/1127237092.db2.gz HDAHJAYZJKARBM-WDEREUQCSA-N 1 1 287.313 3.643 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@]12CCN(CCCC)C2=O ZINC001275111271 1127234546 /nfs/dbraw/zinc/23/45/46/1127234546.db2.gz KCBFPBUKSCXDHM-GOSISDBHSA-N 1 1 294.483 3.824 20 30 CHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCC ZINC001275112060 1127235455 /nfs/dbraw/zinc/23/54/55/1127235455.db2.gz XDQMUGGNHPMNKQ-GOSISDBHSA-N 1 1 292.467 3.600 20 30 CHEDMO N#CC1(F)CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000352489860 1127236784 /nfs/dbraw/zinc/23/67/84/1127236784.db2.gz DPHKZRLLYSJAEQ-CQSZACIVSA-N 1 1 278.758 3.655 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001275119878 1127238909 /nfs/dbraw/zinc/23/89/09/1127238909.db2.gz YCADMDCPTBSVJU-GOSISDBHSA-N 1 1 294.483 3.681 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000285777311 1127243290 /nfs/dbraw/zinc/24/32/90/1127243290.db2.gz SJTPJDBGXGWLDX-GHMZBOCLSA-N 1 1 287.313 3.643 20 30 CHEDMO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1cccc(C#N)c1 ZINC000590186876 1127250837 /nfs/dbraw/zinc/25/08/37/1127250837.db2.gz RBYYYQWYUANWFR-LLVKDONJSA-N 1 1 286.762 3.768 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000590746895 1127270616 /nfs/dbraw/zinc/27/06/16/1127270616.db2.gz KZALIMFKPYDVGI-ZRGWGRIASA-N 1 1 291.398 3.720 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)CCCCC1 ZINC000591026664 1127284621 /nfs/dbraw/zinc/28/46/21/1127284621.db2.gz UQWZMMUTTDBAJJ-SFHVURJKSA-N 1 1 297.446 3.810 20 30 CHEDMO CCSc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354017102 1127285960 /nfs/dbraw/zinc/28/59/60/1127285960.db2.gz GXFJBLMSMPRQLD-UHFFFAOYSA-N 1 1 262.422 3.780 20 30 CHEDMO CCSc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354017102 1127285962 /nfs/dbraw/zinc/28/59/62/1127285962.db2.gz GXFJBLMSMPRQLD-UHFFFAOYSA-N 1 1 262.422 3.780 20 30 CHEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cc1Cl ZINC001238303299 1131190338 /nfs/dbraw/zinc/19/03/38/1131190338.db2.gz MVLGMHUIZMZBBE-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cc1Cl ZINC001238303299 1131190342 /nfs/dbraw/zinc/19/03/42/1131190342.db2.gz MVLGMHUIZMZBBE-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO C#CCC[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000760846462 1127310739 /nfs/dbraw/zinc/31/07/39/1127310739.db2.gz GYMNAXBRNOSEBI-FQEVSTJZSA-N 1 1 291.394 3.818 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000573507542 1127317358 /nfs/dbraw/zinc/31/73/58/1127317358.db2.gz GUNAIWZVWVUDLP-HNNXBMFYSA-N 1 1 278.440 3.740 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000573507542 1127317360 /nfs/dbraw/zinc/31/73/60/1127317360.db2.gz GUNAIWZVWVUDLP-HNNXBMFYSA-N 1 1 278.440 3.740 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cnccc2C)CCCC1(C)C ZINC000355140169 1127320979 /nfs/dbraw/zinc/32/09/79/1127320979.db2.gz XPFZDCAFGKEETR-MRXNPFEDSA-N 1 1 258.409 3.957 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(Cl)c1 ZINC000592093047 1127324096 /nfs/dbraw/zinc/32/40/96/1127324096.db2.gz KGNLPEUMMBSWBV-INIZCTEOSA-N 1 1 285.778 3.848 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@H]1c1ccccc1 ZINC000355203964 1127324575 /nfs/dbraw/zinc/32/45/75/1127324575.db2.gz GLGYDAMMIULAST-ROUUACIJSA-N 1 1 262.356 3.546 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC001118303092 1131217034 /nfs/dbraw/zinc/21/70/34/1131217034.db2.gz OCWXGODTFLDJIN-STQMWFEESA-N 1 1 260.406 3.632 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C)nc1 ZINC000355214591 1127326651 /nfs/dbraw/zinc/32/66/51/1127326651.db2.gz GDBAPZDHZIUPPX-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO N#Cc1cnccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000592104502 1127333432 /nfs/dbraw/zinc/33/34/32/1127333432.db2.gz KZXYBGHIZULJGP-SFHVURJKSA-N 1 1 277.371 3.584 20 30 CHEDMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC000592072529 1127334406 /nfs/dbraw/zinc/33/44/06/1127334406.db2.gz ORQLRFJUAAPIRM-LJQANCHMSA-N 1 1 291.398 3.989 20 30 CHEDMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000592072529 1127334408 /nfs/dbraw/zinc/33/44/08/1127334408.db2.gz ORQLRFJUAAPIRM-LJQANCHMSA-N 1 1 291.398 3.989 20 30 CHEDMO CC(C)[N@@H+](CCC[C@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000592066177 1127335063 /nfs/dbraw/zinc/33/50/63/1127335063.db2.gz KVXDXRSYYYTKIC-SFHVURJKSA-N 1 1 286.419 3.585 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccncc1C#N ZINC000592127255 1127337117 /nfs/dbraw/zinc/33/71/17/1127337117.db2.gz YKAIQWBFLBPDEN-ZRGWGRIASA-N 1 1 291.398 3.720 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC2(CCC2)O1 ZINC000592188406 1127337766 /nfs/dbraw/zinc/33/77/66/1127337766.db2.gz QJWBCABGMOYYHK-HNNXBMFYSA-N 1 1 298.430 3.631 20 30 CHEDMO CC[N@@H+](CCSC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000592205503 1127341135 /nfs/dbraw/zinc/34/11/35/1127341135.db2.gz ZZTLDGJZXJQKJB-UHFFFAOYSA-N 1 1 276.449 3.673 20 30 CHEDMO C=CCOCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000573985244 1127347661 /nfs/dbraw/zinc/34/76/61/1127347661.db2.gz OMSFOPXDRGMWBE-WBVHZDCISA-N 1 1 289.419 3.671 20 30 CHEDMO Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001141432524 1127355759 /nfs/dbraw/zinc/35/57/59/1127355759.db2.gz AHJWLFLWVFLURG-LBPRGKRZSA-N 1 1 297.324 3.535 20 30 CHEDMO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccncc1C#N ZINC000593045611 1127368816 /nfs/dbraw/zinc/36/88/16/1127368816.db2.gz JUUJQZKOEVATDE-AWEZNQCLSA-N 1 1 297.427 3.566 20 30 CHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000593045611 1127368819 /nfs/dbraw/zinc/36/88/19/1127368819.db2.gz JUUJQZKOEVATDE-AWEZNQCLSA-N 1 1 297.427 3.566 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000593087440 1127373570 /nfs/dbraw/zinc/37/35/70/1127373570.db2.gz JTHHREKBVHXOQH-OAHLLOKOSA-N 1 1 295.386 3.925 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000593087440 1127373573 /nfs/dbraw/zinc/37/35/73/1127373573.db2.gz JTHHREKBVHXOQH-OAHLLOKOSA-N 1 1 295.386 3.925 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)CC1(C#N)CC1 ZINC000593086923 1127373630 /nfs/dbraw/zinc/37/36/30/1127373630.db2.gz AZDWWEAYGGZXOC-UHFFFAOYSA-N 1 1 268.360 3.785 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)CC1(C#N)CC1 ZINC000593086923 1127373634 /nfs/dbraw/zinc/37/36/34/1127373634.db2.gz AZDWWEAYGGZXOC-UHFFFAOYSA-N 1 1 268.360 3.785 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1CCC1 ZINC000356059649 1127373701 /nfs/dbraw/zinc/37/37/01/1127373701.db2.gz QFGOGENMQYHVDW-UHFFFAOYSA-N 1 1 282.309 3.809 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cscc1C(F)(F)F ZINC000356087165 1127374139 /nfs/dbraw/zinc/37/41/39/1127374139.db2.gz NEMGDGLHOJNRTE-UHFFFAOYSA-N 1 1 261.312 3.941 20 30 CHEDMO CCOc1c(Cl)cccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593655134 1127393335 /nfs/dbraw/zinc/39/33/35/1127393335.db2.gz YITNGKAMHJWJKA-UHFFFAOYSA-N 1 1 292.810 3.912 20 30 CHEDMO Cc1cccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593653017 1127393394 /nfs/dbraw/zinc/39/33/94/1127393394.db2.gz WUCYXLGBHAJUCN-UHFFFAOYSA-N 1 1 294.402 3.559 20 30 CHEDMO CCSc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593654804 1127393987 /nfs/dbraw/zinc/39/39/87/1127393987.db2.gz PPQFLEROBOZSBY-UHFFFAOYSA-N 1 1 274.433 3.972 20 30 CHEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000058907128 1127397826 /nfs/dbraw/zinc/39/78/26/1127397826.db2.gz IUMDECAZVLNMGE-UHFFFAOYSA-N 1 1 284.790 3.886 20 30 CHEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000291028298 1127398108 /nfs/dbraw/zinc/39/81/08/1127398108.db2.gz YGQWBGKZCORJHM-UONOGXRCSA-N 1 1 295.427 3.780 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000594057652 1127406823 /nfs/dbraw/zinc/40/68/23/1127406823.db2.gz KIGKQYOEKBQTED-HNNXBMFYSA-N 1 1 278.440 3.740 20 30 CHEDMO FC(F)(F)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000761049346 1127411939 /nfs/dbraw/zinc/41/19/39/1127411939.db2.gz HDTOWABAMGJEQX-LBPRGKRZSA-N 1 1 287.712 3.576 20 30 CHEDMO FC(F)(F)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000761049346 1127411941 /nfs/dbraw/zinc/41/19/41/1127411941.db2.gz HDTOWABAMGJEQX-LBPRGKRZSA-N 1 1 287.712 3.576 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)o1 ZINC000358288582 1127413739 /nfs/dbraw/zinc/41/37/39/1127413739.db2.gz FBHFEGXTEPZPIU-QGZVFWFLSA-N 1 1 266.344 3.878 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000358299326 1127414252 /nfs/dbraw/zinc/41/42/52/1127414252.db2.gz MYIMWKJSXNVDNM-HNNXBMFYSA-N 1 1 260.381 3.503 20 30 CHEDMO CCCc1ncc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594506567 1127418909 /nfs/dbraw/zinc/41/89/09/1127418909.db2.gz BRXWXMIMDFKFFJ-UHFFFAOYSA-N 1 1 297.402 3.718 20 30 CHEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cscn1 ZINC000594516304 1127421317 /nfs/dbraw/zinc/42/13/17/1127421317.db2.gz CKKJBAZMLONCBG-GFCCVEGCSA-N 1 1 283.400 3.745 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000594615169 1127426575 /nfs/dbraw/zinc/42/65/75/1127426575.db2.gz SJXHHIXBQHRRDU-RTBURBONSA-N 1 1 274.367 3.678 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358565522 1127427508 /nfs/dbraw/zinc/42/75/08/1127427508.db2.gz ZPYZRWMYCYBGPJ-VXGBXAGGSA-N 1 1 269.323 3.504 20 30 CHEDMO Cc1cccc(NCc2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC000594734053 1127429465 /nfs/dbraw/zinc/42/94/65/1127429465.db2.gz NDUNUIOWCPNIQG-UHFFFAOYSA-N 1 1 263.344 3.557 20 30 CHEDMO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)c2ccccc12 ZINC000594719225 1127429734 /nfs/dbraw/zinc/42/97/34/1127429734.db2.gz ARVANLLPWAOCPC-LLVKDONJSA-N 1 1 258.752 3.885 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000594719615 1127429953 /nfs/dbraw/zinc/42/99/53/1127429953.db2.gz CKBHRNBWRXKACE-JTQLQIEISA-N 1 1 282.174 3.527 20 30 CHEDMO CCCc1[nH+]ccn1Cc1ccc(C#N)cc1C(F)(F)F ZINC000594893152 1127432505 /nfs/dbraw/zinc/43/25/05/1127432505.db2.gz RDUJCDOYPVPETN-UHFFFAOYSA-N 1 1 293.292 3.774 20 30 CHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccccc1C#N ZINC000059393652 1127438135 /nfs/dbraw/zinc/43/81/35/1127438135.db2.gz PATKAUICRZERFL-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO CC(C)n1ccnc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000594951157 1127439370 /nfs/dbraw/zinc/43/93/70/1127439370.db2.gz SBVXANINFKAGSF-KRWDZBQOSA-N 1 1 294.402 3.503 20 30 CHEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1F ZINC000594982131 1127442879 /nfs/dbraw/zinc/44/28/79/1127442879.db2.gz ZTPPAUZSFCCACD-UHFFFAOYSA-N 1 1 290.382 3.788 20 30 CHEDMO C=CCOc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594993601 1127444561 /nfs/dbraw/zinc/44/45/61/1127444561.db2.gz DINJMOUXVFMNRL-UHFFFAOYSA-N 1 1 284.403 3.815 20 30 CHEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081949 1127453486 /nfs/dbraw/zinc/45/34/86/1127453486.db2.gz UTXRPPOIWCIJSV-YJBOKZPZSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081949 1127453488 /nfs/dbraw/zinc/45/34/88/1127453488.db2.gz UTXRPPOIWCIJSV-YJBOKZPZSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[N@H+](Cc1nc(C)oc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000595295625 1127457632 /nfs/dbraw/zinc/45/76/32/1127457632.db2.gz NJVWKMYQYKRMCJ-GFCCVEGCSA-N 1 1 283.375 3.746 20 30 CHEDMO CC[N@@H+](Cc1nc(C)oc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000595295625 1127457633 /nfs/dbraw/zinc/45/76/33/1127457633.db2.gz NJVWKMYQYKRMCJ-GFCCVEGCSA-N 1 1 283.375 3.746 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000595288539 1127458049 /nfs/dbraw/zinc/45/80/49/1127458049.db2.gz NJJWPGXQFORUSS-INIZCTEOSA-N 1 1 282.412 3.999 20 30 CHEDMO CO[C@H](C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCC1 ZINC000595332111 1127459123 /nfs/dbraw/zinc/45/91/23/1127459123.db2.gz BYRIWMLZEBJBCW-GUDVDZBRSA-N 1 1 298.430 3.573 20 30 CHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595314888 1127459768 /nfs/dbraw/zinc/45/97/68/1127459768.db2.gz WBWXGOQLOYHWBR-ZDUSSCGKSA-N 1 1 299.443 3.867 20 30 CHEDMO N#CCC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000595426766 1127462138 /nfs/dbraw/zinc/46/21/38/1127462138.db2.gz SNRKQTNNEABUDL-UHFFFAOYSA-N 1 1 298.308 3.553 20 30 CHEDMO Cc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)co1 ZINC000595502332 1127464706 /nfs/dbraw/zinc/46/47/06/1127464706.db2.gz LGLQBQDDFRBMTB-INIZCTEOSA-N 1 1 269.348 3.508 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000595620011 1127468491 /nfs/dbraw/zinc/46/84/91/1127468491.db2.gz JJWRKCYQWQUMOK-GFCCVEGCSA-N 1 1 264.319 3.750 20 30 CHEDMO CO[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000595550741 1127467318 /nfs/dbraw/zinc/46/73/18/1127467318.db2.gz SWUZJKQOTMQORR-RDTXWAMCSA-N 1 1 286.419 3.756 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000359552283 1127467396 /nfs/dbraw/zinc/46/73/96/1127467396.db2.gz GAKFYKHYGAZWGG-GUYCJALGSA-N 1 1 272.367 3.709 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595619493 1127468560 /nfs/dbraw/zinc/46/85/60/1127468560.db2.gz BZGCITHTBIXESM-SUMWQHHRSA-N 1 1 272.367 3.829 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000595620012 1127468330 /nfs/dbraw/zinc/46/83/30/1127468330.db2.gz JJWRKCYQWQUMOK-LBPRGKRZSA-N 1 1 264.319 3.750 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595619450 1127468659 /nfs/dbraw/zinc/46/86/59/1127468659.db2.gz BGHHHJMHJXLUFM-HNNXBMFYSA-N 1 1 281.403 3.613 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000359566495 1127468665 /nfs/dbraw/zinc/46/86/65/1127468665.db2.gz VUGVEGVROMALRA-DYVFJYSZSA-N 1 1 272.367 3.709 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CCCSCc2ccccc2)C1 ZINC000595621697 1127468743 /nfs/dbraw/zinc/46/87/43/1127468743.db2.gz XSFVXUSYAQIGPP-MRXNPFEDSA-N 1 1 288.460 3.936 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC000595621673 1127468811 /nfs/dbraw/zinc/46/88/11/1127468811.db2.gz XLYFPSFYWFYEOY-CQSZACIVSA-N 1 1 276.811 3.898 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000595623471 1127468963 /nfs/dbraw/zinc/46/89/63/1127468963.db2.gz QXVFVEDINJPIKR-BGGTVIOKSA-N 1 1 274.795 3.979 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000595623473 1127469017 /nfs/dbraw/zinc/46/90/17/1127469017.db2.gz QXVFVEDINJPIKR-KZTTYJGESA-N 1 1 274.795 3.979 20 30 CHEDMO CC[C@H](C)[N@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000595600823 1127469390 /nfs/dbraw/zinc/46/93/90/1127469390.db2.gz PHCCHNJDWRKEKZ-AWEZNQCLSA-N 1 1 296.418 3.673 20 30 CHEDMO CC[C@H](C)[N@@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000595600823 1127469392 /nfs/dbraw/zinc/46/93/92/1127469392.db2.gz PHCCHNJDWRKEKZ-AWEZNQCLSA-N 1 1 296.418 3.673 20 30 CHEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613429 1127470317 /nfs/dbraw/zinc/47/03/17/1127470317.db2.gz CQAMJACIQONTEP-STQMWFEESA-N 1 1 294.345 3.975 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000595609131 1127470440 /nfs/dbraw/zinc/47/04/40/1127470440.db2.gz GPPUNBDNSASOLH-HNNXBMFYSA-N 1 1 264.372 3.965 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000595613287 1127470444 /nfs/dbraw/zinc/47/04/44/1127470444.db2.gz ABKRKZHDVNXBQN-RHSMWYFYSA-N 1 1 254.377 3.690 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000595613286 1127470479 /nfs/dbraw/zinc/47/04/79/1127470479.db2.gz ABKRKZHDVNXBQN-PBHICJAKSA-N 1 1 254.377 3.690 20 30 CHEDMO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615905 1127471000 /nfs/dbraw/zinc/47/10/00/1127471000.db2.gz UMDDEHDKCXDGOP-RDJZCZTQSA-N 1 1 256.393 3.633 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000595615720 1127471511 /nfs/dbraw/zinc/47/15/11/1127471511.db2.gz RVFWFANMFGEFLI-GFCCVEGCSA-N 1 1 280.774 3.647 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000595615720 1127471513 /nfs/dbraw/zinc/47/15/13/1127471513.db2.gz RVFWFANMFGEFLI-GFCCVEGCSA-N 1 1 280.774 3.647 20 30 CHEDMO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cscn1 ZINC000595666963 1127472033 /nfs/dbraw/zinc/47/20/33/1127472033.db2.gz NHFVQVJPXAGHNR-GFCCVEGCSA-N 1 1 263.410 3.658 20 30 CHEDMO CC(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1F ZINC000595695996 1127472531 /nfs/dbraw/zinc/47/25/31/1127472531.db2.gz STCCUYXMTXHGPI-CZUORRHYSA-N 1 1 273.355 3.556 20 30 CHEDMO COc1cccc([C@]2(C)CC[N@@H+](CCC(C)(C)C#N)C2)c1 ZINC000595765474 1127474368 /nfs/dbraw/zinc/47/43/68/1127474368.db2.gz LKAWXPLBKYCCFU-GOSISDBHSA-N 1 1 286.419 3.598 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(C)(C)C#N ZINC000359741938 1127476056 /nfs/dbraw/zinc/47/60/56/1127476056.db2.gz BEUQPJIVFLBKLG-JTQLQIEISA-N 1 1 252.308 3.507 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(C)(C)C#N ZINC000359741938 1127476059 /nfs/dbraw/zinc/47/60/59/1127476059.db2.gz BEUQPJIVFLBKLG-JTQLQIEISA-N 1 1 252.308 3.507 20 30 CHEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840019 1127477389 /nfs/dbraw/zinc/47/73/89/1127477389.db2.gz NQIVLMYXSVUQEA-FZMZJTMJSA-N 1 1 298.308 3.882 20 30 CHEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840019 1127477390 /nfs/dbraw/zinc/47/73/90/1127477390.db2.gz NQIVLMYXSVUQEA-FZMZJTMJSA-N 1 1 298.308 3.882 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000595842190 1127477541 /nfs/dbraw/zinc/47/75/41/1127477541.db2.gz CIRIAEVIAAWTIN-HNNXBMFYSA-N 1 1 256.374 3.637 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000595842190 1127477542 /nfs/dbraw/zinc/47/75/42/1127477542.db2.gz CIRIAEVIAAWTIN-HNNXBMFYSA-N 1 1 256.374 3.637 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc([C@H](C)SCC)no1 ZINC000595844957 1127477879 /nfs/dbraw/zinc/47/78/79/1127477879.db2.gz JJFDZSSKADJYMK-RWMBFGLXSA-N 1 1 293.436 3.567 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc([C@H](C)SCC)no1 ZINC000595844957 1127477881 /nfs/dbraw/zinc/47/78/81/1127477881.db2.gz JJFDZSSKADJYMK-RWMBFGLXSA-N 1 1 293.436 3.567 20 30 CHEDMO N#Cc1cccc2c1C[N@H+]([C@@H]1CCc3ccccc31)C2 ZINC000593125916 1127478445 /nfs/dbraw/zinc/47/84/45/1127478445.db2.gz IOFMIXOCUKSYIB-GOSISDBHSA-N 1 1 260.340 3.561 20 30 CHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000595866168 1127479279 /nfs/dbraw/zinc/47/92/79/1127479279.db2.gz FSEQSRDPMINVIE-GOEBONIOSA-N 1 1 299.418 3.540 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000359852646 1127480468 /nfs/dbraw/zinc/48/04/68/1127480468.db2.gz HKWODLFSGACSBZ-HNNXBMFYSA-N 1 1 266.429 3.596 20 30 CHEDMO C=C(C[NH2+]Cc1ncc(CSC)s1)c1ccccc1 ZINC000293542452 1127504671 /nfs/dbraw/zinc/50/46/71/1127504671.db2.gz KIHFCQQRFDRTDT-UHFFFAOYSA-N 1 1 290.457 3.809 20 30 CHEDMO CC[C@@H](C)[N@H+](C)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360828754 1127513584 /nfs/dbraw/zinc/51/35/84/1127513584.db2.gz AHCOMGGGWCWRCV-BEFAXECRSA-N 1 1 299.462 3.646 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360828754 1127513587 /nfs/dbraw/zinc/51/35/87/1127513587.db2.gz 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N#CC1(CCCC[N@H+]2CC[C@@H](c3cccnc3)C2)CCC1 ZINC000930813658 1128336405 /nfs/dbraw/zinc/33/64/05/1128336405.db2.gz CBLSHYNNFHKINO-QGZVFWFLSA-N 1 1 283.419 3.735 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000525328851 1128338363 /nfs/dbraw/zinc/33/83/63/1128338363.db2.gz OOSHQZJDQZYFQS-UHFFFAOYSA-N 1 1 255.361 3.856 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000930923348 1128340681 /nfs/dbraw/zinc/34/06/81/1128340681.db2.gz OEJBZWNCTIGTAW-BPUTZDHNSA-N 1 1 290.357 3.661 20 30 CHEDMO C#CC[N@H+](Cc1nc2ccc(F)cc2s1)C1CCCC1 ZINC000763009384 1128344566 /nfs/dbraw/zinc/34/45/66/1128344566.db2.gz XLOLJKKJKBCETP-UHFFFAOYSA-N 1 1 288.391 3.813 20 30 CHEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccc(N(C)C)cc1 ZINC000916250368 1128413804 /nfs/dbraw/zinc/41/38/04/1128413804.db2.gz XEVAXHNJGLXEOZ-UHFFFAOYSA-N 1 1 267.376 3.897 20 30 CHEDMO COc1cccc2c1C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000931261622 1128355336 /nfs/dbraw/zinc/35/53/36/1128355336.db2.gz DEJOJASLYKTJKF-UHFFFAOYSA-N 1 1 284.403 3.875 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000561872677 1128358335 /nfs/dbraw/zinc/35/83/35/1128358335.db2.gz HCOIXQXTBBVTDR-VKJFTORMSA-N 1 1 290.451 3.596 20 30 CHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000561983162 1128368150 /nfs/dbraw/zinc/36/81/50/1128368150.db2.gz SIZIIEFUSFPZAU-HIFRSBDPSA-N 1 1 273.424 3.543 20 30 CHEDMO N#CC1(CCCC[N@@H+](CC(F)F)C2CCC2)CCC1 ZINC000931762396 1128381351 /nfs/dbraw/zinc/38/13/51/1128381351.db2.gz MZBFHEGRKIYVBI-UHFFFAOYSA-N 1 1 270.367 3.970 20 30 CHEDMO N#CC1(CCCC[N@H+](CC(F)F)C2CCC2)CCC1 ZINC000931762396 1128381356 /nfs/dbraw/zinc/38/13/56/1128381356.db2.gz MZBFHEGRKIYVBI-UHFFFAOYSA-N 1 1 270.367 3.970 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C(C)(C)C ZINC000932463474 1128411208 /nfs/dbraw/zinc/41/12/08/1128411208.db2.gz JHGATBPXTZOAOD-UHFFFAOYSA-N 1 1 295.386 3.503 20 30 CHEDMO C=C[C@@H](CC)CC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000932702939 1128419370 /nfs/dbraw/zinc/41/93/70/1128419370.db2.gz ZDCPEWHQQAONOX-INIZCTEOSA-N 1 1 294.483 3.559 20 30 CHEDMO CC(=[NH+]Nc1ccc(Cl)cc1)c1ccc(N)cc1 ZINC000916540046 1128423050 /nfs/dbraw/zinc/42/30/50/1128423050.db2.gz KVPOLPFHBIHNQM-UHFFFAOYSA-N 1 1 259.740 3.758 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ccc(Br)cc1C#N ZINC000562874434 1128426018 /nfs/dbraw/zinc/42/60/18/1128426018.db2.gz QDISXMYOANYCDY-UHFFFAOYSA-N 1 1 293.208 3.719 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)cc1C#N ZINC000562874434 1128426020 /nfs/dbraw/zinc/42/60/20/1128426020.db2.gz QDISXMYOANYCDY-UHFFFAOYSA-N 1 1 293.208 3.719 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1C#N ZINC000933089543 1128429881 /nfs/dbraw/zinc/42/98/81/1128429881.db2.gz SJUYEAFVYSLWOJ-SFHVURJKSA-N 1 1 298.430 3.505 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933661418 1128440083 /nfs/dbraw/zinc/44/00/83/1128440083.db2.gz ZYXOWTKCPJCFKZ-GOSISDBHSA-N 1 1 282.387 3.621 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)C1 ZINC000933657520 1128440088 /nfs/dbraw/zinc/44/00/88/1128440088.db2.gz SEWNYVLJMRSGCL-SZVBFZGTSA-N 1 1 294.398 3.619 20 30 CHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1c1ccccc1 ZINC000934328665 1128458490 /nfs/dbraw/zinc/45/84/90/1128458490.db2.gz VCIOYGQSMDGMFX-AOCRQIFASA-N 1 1 297.446 3.527 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934333828 1128458597 /nfs/dbraw/zinc/45/85/97/1128458597.db2.gz RWNZAVOOULNJPE-AWEZNQCLSA-N 1 1 291.464 3.728 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(SC)c(OC)c1 ZINC000934468431 1128461353 /nfs/dbraw/zinc/46/13/53/1128461353.db2.gz DHCMTRZNFPXQMN-ZDUSSCGKSA-N 1 1 263.406 3.568 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1cnc2c(cnn2C(C)C)c1 ZINC000934645799 1128465507 /nfs/dbraw/zinc/46/55/07/1128465507.db2.gz JFGCUHUMBMXUDK-UHFFFAOYSA-N 1 1 286.423 3.800 20 30 CHEDMO C=CCCC[N@H+](CC)[C@@H](C)c1nc(C(C)C)no1 ZINC000934649085 1128465904 /nfs/dbraw/zinc/46/59/04/1128465904.db2.gz JORWSPXCGVKGCF-LBPRGKRZSA-N 1 1 251.374 3.542 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000917068766 1128474769 /nfs/dbraw/zinc/47/47/69/1128474769.db2.gz AYYWUHPCKSAXFI-UHFFFAOYSA-N 1 1 279.334 3.828 20 30 CHEDMO C=CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000917068766 1128474771 /nfs/dbraw/zinc/47/47/71/1128474771.db2.gz AYYWUHPCKSAXFI-UHFFFAOYSA-N 1 1 279.334 3.828 20 30 CHEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000917069815 1128474879 /nfs/dbraw/zinc/47/48/79/1128474879.db2.gz WMAAAJKWCCFMSJ-UHFFFAOYSA-N 1 1 274.339 3.877 20 30 CHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000917069815 1128474880 /nfs/dbraw/zinc/47/48/80/1128474880.db2.gz WMAAAJKWCCFMSJ-UHFFFAOYSA-N 1 1 274.339 3.877 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C(C)C ZINC000917069115 1128475022 /nfs/dbraw/zinc/47/50/22/1128475022.db2.gz ICDGYTNHDSUFAM-UHFFFAOYSA-N 1 1 285.334 3.693 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000154418001 1128501761 /nfs/dbraw/zinc/50/17/61/1128501761.db2.gz GODZUKNDOMXLPJ-HNNXBMFYSA-N 1 1 292.382 3.536 20 30 CHEDMO CC1(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000565398571 1128525600 /nfs/dbraw/zinc/52/56/00/1128525600.db2.gz VUYVJGRXLYPJRB-CVEARBPZSA-N 1 1 254.377 3.558 20 30 CHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565663795 1128530621 /nfs/dbraw/zinc/53/06/21/1128530621.db2.gz BUQDKBPUJUSNCQ-GOSISDBHSA-N 1 1 295.386 3.545 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154715775 1128542929 /nfs/dbraw/zinc/54/29/29/1128542929.db2.gz FPRNMGJNNWGZBR-QGZVFWFLSA-N 1 1 287.428 3.860 20 30 CHEDMO CCCC[NH+]1CCC(N[C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000567374465 1128562833 /nfs/dbraw/zinc/56/28/33/1128562833.db2.gz CIEZZUAIHFSESY-LJQANCHMSA-N 1 1 299.462 3.863 20 30 CHEDMO CCCCN1CCC([NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000567374465 1128562838 /nfs/dbraw/zinc/56/28/38/1128562838.db2.gz CIEZZUAIHFSESY-LJQANCHMSA-N 1 1 299.462 3.863 20 30 CHEDMO C[N@@H+](CC1CCC(C(F)(F)F)CC1)CC(C)(C)C#N ZINC000568376360 1128583762 /nfs/dbraw/zinc/58/37/62/1128583762.db2.gz BMPGZWDTEVOCPB-UHFFFAOYSA-N 1 1 276.346 3.837 20 30 CHEDMO CN(C)CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569396 1128587656 /nfs/dbraw/zinc/58/76/56/1128587656.db2.gz QEDATJMGMJPKIU-ROUUACIJSA-N 1 1 299.462 3.502 20 30 CHEDMO C=CCCCC[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000569070676 1128597420 /nfs/dbraw/zinc/59/74/20/1128597420.db2.gz WPOUARFGXHOWCY-CQSZACIVSA-N 1 1 285.391 3.667 20 30 CHEDMO C=C(C)COc1cc(CNc2cc(C)cc[nH+]2)ccc1OC ZINC000131037899 1128603557 /nfs/dbraw/zinc/60/35/57/1128603557.db2.gz FEQDCJIRNAISCE-UHFFFAOYSA-N 1 1 298.386 3.966 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000043648614 1128606010 /nfs/dbraw/zinc/60/60/10/1128606010.db2.gz KMTVNFJKQWFXOQ-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000043648614 1128606012 /nfs/dbraw/zinc/60/60/12/1128606012.db2.gz KMTVNFJKQWFXOQ-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO C=C(C)COc1cc(CNc2cccc(C)[nH+]2)ccc1OC ZINC000131182436 1128608578 /nfs/dbraw/zinc/60/85/78/1128608578.db2.gz GQADLCHIPYOJGL-UHFFFAOYSA-N 1 1 298.386 3.966 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ncc(C)cc1C ZINC000569806301 1128609705 /nfs/dbraw/zinc/60/97/05/1128609705.db2.gz JZFYTVXFPJXFBP-UHFFFAOYSA-N 1 1 287.451 3.893 20 30 CHEDMO C=CCC[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000556859499 1128631066 /nfs/dbraw/zinc/63/10/66/1128631066.db2.gz TVZVRYCTKXTHMX-JKSUJKDBSA-N 1 1 276.424 3.751 20 30 CHEDMO C=CCC[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000556859499 1128631068 /nfs/dbraw/zinc/63/10/68/1128631068.db2.gz TVZVRYCTKXTHMX-JKSUJKDBSA-N 1 1 276.424 3.751 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000556884127 1128633678 /nfs/dbraw/zinc/63/36/78/1128633678.db2.gz PRUYYGSBMMWTLN-QGZVFWFLSA-N 1 1 280.346 3.687 20 30 CHEDMO COC[C@@H]([NH2+]CC#Cc1ccccc1)c1cccc(Cl)c1 ZINC000571957031 1128640872 /nfs/dbraw/zinc/64/08/72/1128640872.db2.gz LOKADXCUENEYFW-GOSISDBHSA-N 1 1 299.801 3.669 20 30 CHEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)c2ccccc12 ZINC000556910001 1128641522 /nfs/dbraw/zinc/64/15/22/1128641522.db2.gz RDEUZGFXPGNVLK-UHFFFAOYSA-N 1 1 282.387 3.830 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000556910176 1128641939 /nfs/dbraw/zinc/64/19/39/1128641939.db2.gz VWNMDXXQNDHFGB-CYBMUJFWSA-N 1 1 286.762 3.794 20 30 CHEDMO C[C@H](O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000573886143 1128658865 /nfs/dbraw/zinc/65/88/65/1128658865.db2.gz OFNLEUXTJJEPCR-INIZCTEOSA-N 1 1 288.435 3.589 20 30 CHEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)c1 ZINC000573930999 1128659755 /nfs/dbraw/zinc/65/97/55/1128659755.db2.gz HUPRPVFVDZBJGP-GOSISDBHSA-N 1 1 291.398 3.560 20 30 CHEDMO C[C@H](c1cccnc1)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930117995 1128666298 /nfs/dbraw/zinc/66/62/98/1128666298.db2.gz AHGFLRASYVGFJI-OAHLLOKOSA-N 1 1 271.408 3.939 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C\c2ccccc2O)C1 ZINC000920174991 1128670498 /nfs/dbraw/zinc/67/04/98/1128670498.db2.gz SDGTWQSRTZUIBQ-NOXZPDHRSA-N 1 1 294.398 3.647 20 30 CHEDMO C#CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21 ZINC000778984979 1128674414 /nfs/dbraw/zinc/67/44/14/1128674414.db2.gz OEXZQHYRCCNXSI-GOSISDBHSA-N 1 1 295.357 3.654 20 30 CHEDMO C[C@@H](N=NC1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000920383451 1128679321 /nfs/dbraw/zinc/67/93/21/1128679321.db2.gz WATXVPHUXPDOQI-MRXNPFEDSA-N 1 1 293.414 3.599 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CCCN(C(=O)OC)CC1 ZINC001258044282 1128686296 /nfs/dbraw/zinc/68/62/96/1128686296.db2.gz KVQFNXRFGGQGAP-HNNXBMFYSA-N 1 1 284.444 3.510 20 30 CHEDMO CCCCCCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258049446 1128688968 /nfs/dbraw/zinc/68/89/68/1128688968.db2.gz HYLMCGDSZMMMQS-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258049446 1128688969 /nfs/dbraw/zinc/68/89/69/1128688969.db2.gz HYLMCGDSZMMMQS-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001258049446 1128688973 /nfs/dbraw/zinc/68/89/73/1128688973.db2.gz HYLMCGDSZMMMQS-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001258049446 1128688976 /nfs/dbraw/zinc/68/89/76/1128688976.db2.gz HYLMCGDSZMMMQS-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO Cc1cc(C)c(CSc2ccc(C#N)cn2)c(C)[nH+]1 ZINC000601076163 1128696385 /nfs/dbraw/zinc/69/63/85/1128696385.db2.gz ZKRTXYDXWMRZNS-UHFFFAOYSA-N 1 1 269.373 3.566 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001258049950 1128691083 /nfs/dbraw/zinc/69/10/83/1128691083.db2.gz QLKNSGLDMKOORW-HUUCEWRRSA-N 1 1 269.429 3.620 20 30 CHEDMO CCCCCCCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001258051223 1128699097 /nfs/dbraw/zinc/69/90/97/1128699097.db2.gz CNRABSCTLRAWEN-OKZBNKHCSA-N 1 1 299.499 3.581 20 30 CHEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000615231345 1128707943 /nfs/dbraw/zinc/70/79/43/1128707943.db2.gz RDIDBPPHBVUZJT-LBPRGKRZSA-N 1 1 285.778 3.766 20 30 CHEDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000578140240 1128708680 /nfs/dbraw/zinc/70/86/80/1128708680.db2.gz CZZLWOQTWOZECG-HNNXBMFYSA-N 1 1 279.387 3.754 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1C=CCCC1 ZINC000609419780 1128714457 /nfs/dbraw/zinc/71/44/57/1128714457.db2.gz WXDMXICYWOEARQ-OAHLLOKOSA-N 1 1 272.348 3.692 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@H]2CCC[C@H]21 ZINC000578456456 1128718327 /nfs/dbraw/zinc/71/83/27/1128718327.db2.gz FSKKJNLARWFLNX-ZBFHGGJFSA-N 1 1 272.367 3.708 20 30 CHEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744634 1128723944 /nfs/dbraw/zinc/72/39/44/1128723944.db2.gz NVCLUFICACUCED-UHFFFAOYSA-N 1 1 294.373 3.904 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000609767153 1128724240 /nfs/dbraw/zinc/72/42/40/1128724240.db2.gz SWHSJFNKPRLVKB-INIZCTEOSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccccc2C1 ZINC000609822932 1128727473 /nfs/dbraw/zinc/72/74/73/1128727473.db2.gz VLRLIWVVGWBUAE-CQSZACIVSA-N 1 1 278.355 3.514 20 30 CHEDMO C=CC[N@H+](CCSC)Cc1ccc(Cl)s1 ZINC000215900161 1128730679 /nfs/dbraw/zinc/73/06/79/1128730679.db2.gz GZLAGCDCYPSYMD-UHFFFAOYSA-N 1 1 261.843 3.753 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CCc1ccc(OC)cc1 ZINC000578902829 1128733031 /nfs/dbraw/zinc/73/30/31/1128733031.db2.gz RLLGGTMDPBGOFL-UHFFFAOYSA-N 1 1 295.426 3.968 20 30 CHEDMO C=C(C)CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000351865527 1117751065 /nfs/dbraw/zinc/75/10/65/1117751065.db2.gz UPEKELFSASMOIS-CQSZACIVSA-N 1 1 265.422 3.695 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1CC[C@](C)(CO)C1 ZINC001207895585 1117753326 /nfs/dbraw/zinc/75/33/26/1117753326.db2.gz AAGCFISEQIYXSS-KRWDZBQOSA-N 1 1 267.457 3.998 20 30 CHEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000610004508 1128734086 /nfs/dbraw/zinc/73/40/86/1128734086.db2.gz NMCMFCLMWJEPLK-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610004508 1128734091 /nfs/dbraw/zinc/73/40/91/1128734091.db2.gz NMCMFCLMWJEPLK-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000610003591 1128734634 /nfs/dbraw/zinc/73/46/34/1128734634.db2.gz ZRPXJKMORNKJSC-INIZCTEOSA-N 1 1 278.399 3.930 20 30 CHEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238192979 1117818359 /nfs/dbraw/zinc/81/83/59/1117818359.db2.gz XMNKBYQTZXSAOB-HNNXBMFYSA-N 1 1 292.810 3.601 20 30 CHEDMO C[N@H+](Cc1cccc(Br)c1)[C@H]1CCC[C@@H]1C#N ZINC000042440514 1117841067 /nfs/dbraw/zinc/84/10/67/1117841067.db2.gz XYWMJEPTFPBWAQ-OCCSQVGLSA-N 1 1 293.208 3.573 20 30 CHEDMO C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[C@@H]1C#N ZINC000042440514 1117841075 /nfs/dbraw/zinc/84/10/75/1117841075.db2.gz XYWMJEPTFPBWAQ-OCCSQVGLSA-N 1 1 293.208 3.573 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001208170585 1117854564 /nfs/dbraw/zinc/85/45/64/1117854564.db2.gz IKJUJNZGHJMFHU-HZPDHXFCSA-N 1 1 251.389 3.971 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC001208179344 1117857363 /nfs/dbraw/zinc/85/73/63/1117857363.db2.gz VPPFDYZNUGDKLS-USXIJHARSA-N 1 1 263.425 3.788 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)cc1 ZINC000430200696 1117857767 /nfs/dbraw/zinc/85/77/67/1117857767.db2.gz VEOAZQOTYHBERR-MRXNPFEDSA-N 1 1 291.460 3.826 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CSC)C1 ZINC000430202827 1117860352 /nfs/dbraw/zinc/86/03/52/1117860352.db2.gz YKRLCQSFJSLOES-HNNXBMFYSA-N 1 1 291.460 3.826 20 30 CHEDMO N#Cc1ccc(CNc2ccc(C3CCC3)c[nH+]2)c(F)c1 ZINC000339560189 1117861963 /nfs/dbraw/zinc/86/19/63/1117861963.db2.gz CXSLMBPMNGXKNR-UHFFFAOYSA-N 1 1 281.334 3.972 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccncc1C ZINC000579194936 1128741277 /nfs/dbraw/zinc/74/12/77/1128741277.db2.gz VDDXDRUTRDYVSE-UHFFFAOYSA-N 1 1 298.434 3.746 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccncc1C ZINC000579194936 1128741280 /nfs/dbraw/zinc/74/12/80/1128741280.db2.gz VDDXDRUTRDYVSE-UHFFFAOYSA-N 1 1 298.434 3.746 20 30 CHEDMO Cc1[nH+]c(N2CC[C@@H](C3CCCCC3)C2)ccc1CC#N ZINC001167069075 1117879406 /nfs/dbraw/zinc/87/94/06/1117879406.db2.gz ZPZUAEOMBZCCML-QGZVFWFLSA-N 1 1 283.419 3.863 20 30 CHEDMO N#CCCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339608438 1117914080 /nfs/dbraw/zinc/91/40/80/1117914080.db2.gz ZSURTIZDXVEBJS-LJQANCHMSA-N 1 1 276.383 3.938 20 30 CHEDMO C=CCCn1cc(C[NH2+][C@H](CC)c2cc(C)ccc2C)nn1 ZINC000623753464 1117919757 /nfs/dbraw/zinc/91/97/57/1117919757.db2.gz ZHLRKROZCXCHPK-GOSISDBHSA-N 1 1 298.434 3.712 20 30 CHEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336818586 1117942585 /nfs/dbraw/zinc/94/25/85/1117942585.db2.gz WELNTOUETCMQFX-ZDUSSCGKSA-N 1 1 294.851 3.787 20 30 CHEDMO C=CC[N@@H+](CCc1c(C)noc1C)Cc1ccccc1F ZINC000339654604 1117947812 /nfs/dbraw/zinc/94/78/12/1117947812.db2.gz XXYYRSPNMMVSOI-UHFFFAOYSA-N 1 1 288.366 3.661 20 30 CHEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1ccccc1F ZINC000339654604 1117947815 /nfs/dbraw/zinc/94/78/15/1117947815.db2.gz XXYYRSPNMMVSOI-UHFFFAOYSA-N 1 1 288.366 3.661 20 30 CHEDMO CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000219508648 1117981178 /nfs/dbraw/zinc/98/11/78/1117981178.db2.gz CVNHHGWGBBELNZ-UHFFFAOYSA-N 1 1 268.335 3.719 20 30 CHEDMO C=CCC[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccco1 ZINC000624188598 1118000074 /nfs/dbraw/zinc/00/00/74/1118000074.db2.gz XWCMKUCCKSZQJA-IRXDYDNUSA-N 1 1 288.435 3.893 20 30 CHEDMO C=CCC[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccco1 ZINC000624188598 1118000076 /nfs/dbraw/zinc/00/00/76/1118000076.db2.gz XWCMKUCCKSZQJA-IRXDYDNUSA-N 1 1 288.435 3.893 20 30 CHEDMO C=CCCCC[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001209207093 1118010755 /nfs/dbraw/zinc/01/07/55/1118010755.db2.gz LGFIKAQDEAEQRO-UHFFFAOYSA-N 1 1 297.377 3.955 20 30 CHEDMO C=CCCCC[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001209207093 1118010760 /nfs/dbraw/zinc/01/07/60/1118010760.db2.gz LGFIKAQDEAEQRO-UHFFFAOYSA-N 1 1 297.377 3.955 20 30 CHEDMO CC[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1Cl ZINC000386085773 1118014940 /nfs/dbraw/zinc/01/49/40/1118014940.db2.gz LNXNMPFVNURUFC-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccnc(SC)n1 ZINC001140037887 1118029939 /nfs/dbraw/zinc/02/99/39/1118029939.db2.gz GYQNPIIVIGVBGZ-UHFFFAOYSA-N 1 1 299.443 3.777 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@]2(C[C@H](OCC=C)CO2)C1 ZINC001209427253 1118049648 /nfs/dbraw/zinc/04/96/48/1118049648.db2.gz MCHFKHBVJWVGPQ-ROUUACIJSA-N 1 1 293.451 3.559 20 30 CHEDMO C=CCCCCCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001209430893 1118051824 /nfs/dbraw/zinc/05/18/24/1118051824.db2.gz DINCFRORIYWQQK-HOTGVXAUSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001209432854 1118054165 /nfs/dbraw/zinc/05/41/65/1118054165.db2.gz LBJTWDNQIRLXLD-QGZVFWFLSA-N 1 1 274.408 3.671 20 30 CHEDMO C=CCCCCCC[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001209431918 1118054912 /nfs/dbraw/zinc/05/49/12/1118054912.db2.gz VXTKFAUDKHLALI-INIZCTEOSA-N 1 1 251.414 3.768 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001209438414 1118057999 /nfs/dbraw/zinc/05/79/99/1118057999.db2.gz LAWFCFJHKQVILB-INIZCTEOSA-N 1 1 271.420 3.700 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001209443636 1118060358 /nfs/dbraw/zinc/06/03/58/1118060358.db2.gz YCZQOWMAHKWQKU-IRXDYDNUSA-N 1 1 267.457 3.996 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCOCC12CCC2 ZINC001209441859 1118061776 /nfs/dbraw/zinc/06/17/76/1118061776.db2.gz LYGFVHDUQNONKU-UHFFFAOYSA-N 1 1 251.414 3.768 20 30 CHEDMO C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)CCS1 ZINC000380383766 1118067648 /nfs/dbraw/zinc/06/76/48/1118067648.db2.gz UHJAJFJIDJRNCE-ZDUSSCGKSA-N 1 1 254.443 3.534 20 30 CHEDMO N#Cc1ccc(Nc2cc[nH+]c(-c3ccccc3)c2)cn1 ZINC001209545860 1118076513 /nfs/dbraw/zinc/07/65/13/1118076513.db2.gz XUSUPRMSKOQIPT-UHFFFAOYSA-N 1 1 272.311 3.759 20 30 CHEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1Cc2ccccc2C1 ZINC001167186921 1118091280 /nfs/dbraw/zinc/09/12/80/1118091280.db2.gz IXOKJFLNBIJVQG-UHFFFAOYSA-N 1 1 282.431 3.950 20 30 CHEDMO C=C(C)[C@H]([NH2+]CC(OCC)OCC)c1ccc(F)c(F)c1 ZINC000187768622 1128756203 /nfs/dbraw/zinc/75/62/03/1128756203.db2.gz ZKAXCNKMXKVNLM-INIZCTEOSA-N 1 1 299.361 3.571 20 30 CHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000061758765 1118124637 /nfs/dbraw/zinc/12/46/37/1118124637.db2.gz AVDVSOIIMWXDOJ-KRWDZBQOSA-N 1 1 288.435 3.542 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@](C)(O)c1ccccc1 ZINC001167273701 1118137372 /nfs/dbraw/zinc/13/73/72/1118137372.db2.gz PSYBWRWQGQQVDR-HXUWFJFHSA-N 1 1 295.426 3.625 20 30 CHEDMO C#CC[N@H+](CCCC1CCC1)Cc1ccc(F)cc1 ZINC001167274067 1118138421 /nfs/dbraw/zinc/13/84/21/1118138421.db2.gz WXCPIUSAFZLQDL-UHFFFAOYSA-N 1 1 259.368 3.841 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542649437 1118155054 /nfs/dbraw/zinc/15/50/54/1118155054.db2.gz MMKFUDYVGSDKQQ-BEFAXECRSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542649437 1118155056 /nfs/dbraw/zinc/15/50/56/1118155056.db2.gz MMKFUDYVGSDKQQ-BEFAXECRSA-N 1 1 298.430 3.900 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C)nc1)[C@H]1CCc2ccccc21 ZINC000765560332 1118170608 /nfs/dbraw/zinc/17/06/08/1118170608.db2.gz JISGUFNRZDEBIZ-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1F ZINC000130762541 1118195589 /nfs/dbraw/zinc/19/55/89/1118195589.db2.gz RDLZNBLBVMENOL-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)CC12CCC(CC1)C2 ZINC001167313658 1118264699 /nfs/dbraw/zinc/26/46/99/1118264699.db2.gz ICFHLZZGDSORBN-UHFFFAOYSA-N 1 1 298.430 3.587 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1 ZINC000165450233 1118278212 /nfs/dbraw/zinc/27/82/12/1118278212.db2.gz WOOAPBQEGJVBAV-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000076069755 1128768331 /nfs/dbraw/zinc/76/83/31/1128768331.db2.gz LPPCMBUHNGBKSY-QWRGUYRKSA-N 1 1 278.259 3.501 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccc(F)c(F)c1 ZINC000189184090 1128769149 /nfs/dbraw/zinc/76/91/49/1128769149.db2.gz NJPJXSRCSQIWJO-MRXNPFEDSA-N 1 1 292.304 3.906 20 30 CHEDMO Cn1c2ccccc2[nH+]c1Nc1cc(Cl)cc(C#N)c1 ZINC001210535652 1118318584 /nfs/dbraw/zinc/31/85/84/1118318584.db2.gz DLQYAMYKUTYNOR-UHFFFAOYSA-N 1 1 282.734 3.842 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000165501133 1118354804 /nfs/dbraw/zinc/35/48/04/1118354804.db2.gz HOFXHZZVLDCQMZ-RDJZCZTQSA-N 1 1 254.377 3.631 20 30 CHEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060522563 1118363704 /nfs/dbraw/zinc/36/37/04/1118363704.db2.gz JHIJTQJYZHFXFA-AWEZNQCLSA-N 1 1 287.325 3.637 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000180044182 1128772907 /nfs/dbraw/zinc/77/29/07/1128772907.db2.gz IHGAFFKWBOGVNN-HLLBOEOZSA-N 1 1 286.419 3.988 20 30 CHEDMO C[C@H]1CC(=O)C=C(Nc2ccc3c[nH+]ccc3c2)C1 ZINC001210771498 1118380248 /nfs/dbraw/zinc/38/02/48/1118380248.db2.gz WHNCCAJXXYPVRU-LLVKDONJSA-N 1 1 252.317 3.530 20 30 CHEDMO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001168604733 1118388755 /nfs/dbraw/zinc/38/87/55/1118388755.db2.gz RWKZDMJZOWSIHN-GJZGRUSLSA-N 1 1 296.455 3.672 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1snnc1C ZINC001167391257 1118442918 /nfs/dbraw/zinc/44/29/18/1118442918.db2.gz FWFSPLBNXNNKIP-ZDUSSCGKSA-N 1 1 279.453 3.976 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000307778564 1118444689 /nfs/dbraw/zinc/44/46/89/1118444689.db2.gz ROPOPEXACNHHRL-INIZCTEOSA-N 1 1 256.393 3.735 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160522460 1118467028 /nfs/dbraw/zinc/46/70/28/1118467028.db2.gz YMKCBYFRFBQAQF-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610447547 1118481532 /nfs/dbraw/zinc/48/15/32/1118481532.db2.gz NEXSAJJCIULLDD-MRXNPFEDSA-N 1 1 272.392 3.859 20 30 CHEDMO CCC[N@@H+](Cc1ccc(COC)o1)Cc1ccc(C#N)cc1 ZINC000119248536 1118485739 /nfs/dbraw/zinc/48/57/39/1118485739.db2.gz AHGIAZBGXQGSAW-UHFFFAOYSA-N 1 1 298.386 3.710 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000340907859 1118551997 /nfs/dbraw/zinc/55/19/97/1118551997.db2.gz QNPSVDZTTFSGAL-HOTGVXAUSA-N 1 1 251.414 3.624 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCC(F)(F)CC1 ZINC000334509402 1118553671 /nfs/dbraw/zinc/55/36/71/1118553671.db2.gz OMOIADDOFMOCRU-UHFFFAOYSA-N 1 1 270.348 3.629 20 30 CHEDMO CC[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334531017 1118554592 /nfs/dbraw/zinc/55/45/92/1118554592.db2.gz NGVCAVAAVIXYBP-ROUUACIJSA-N 1 1 284.403 3.512 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CCC(C)=O)C(C)(C)C)cc1 ZINC000157001578 1118556304 /nfs/dbraw/zinc/55/63/04/1118556304.db2.gz XOJPIARUZFSXFE-UHFFFAOYSA-N 1 1 289.419 3.831 20 30 CHEDMO C=C(Br)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000307259978 1118566443 /nfs/dbraw/zinc/56/64/43/1118566443.db2.gz LSAWRLZAGALBHE-MRVPVSSYSA-N 1 1 286.135 3.558 20 30 CHEDMO C=C(Br)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000307259978 1118566444 /nfs/dbraw/zinc/56/64/44/1118566444.db2.gz LSAWRLZAGALBHE-MRVPVSSYSA-N 1 1 286.135 3.558 20 30 CHEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000068609352 1128787078 /nfs/dbraw/zinc/78/70/78/1128787078.db2.gz QJVNXSXMQCNHDB-HNNXBMFYSA-N 1 1 280.371 3.657 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000076738175 1128787562 /nfs/dbraw/zinc/78/75/62/1128787562.db2.gz LXVRVFZJETYTSH-UHFFFAOYSA-N 1 1 285.387 3.808 20 30 CHEDMO CCCCCCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000253086621 1118620050 /nfs/dbraw/zinc/62/00/50/1118620050.db2.gz BWLFOASTFPOIPM-HOTGVXAUSA-N 1 1 255.446 3.972 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccccc2C#N)C1 ZINC000335669988 1118633594 /nfs/dbraw/zinc/63/35/94/1118633594.db2.gz MCNVBGVPXIAHAY-RDTXWAMCSA-N 1 1 277.371 3.536 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccccc2C#N)C1 ZINC000335669988 1118633595 /nfs/dbraw/zinc/63/35/95/1118633595.db2.gz MCNVBGVPXIAHAY-RDTXWAMCSA-N 1 1 277.371 3.536 20 30 CHEDMO C=CC[N@@H+](Cc1ncc(CC)o1)CC1CCCCC1 ZINC000075739389 1118639943 /nfs/dbraw/zinc/63/99/43/1118639943.db2.gz UQNMBWGOVCWQAV-UHFFFAOYSA-N 1 1 262.397 3.805 20 30 CHEDMO C=CC[N@H+](Cc1ncc(CC)o1)CC1CCCCC1 ZINC000075739389 1118639944 /nfs/dbraw/zinc/63/99/44/1118639944.db2.gz UQNMBWGOVCWQAV-UHFFFAOYSA-N 1 1 262.397 3.805 20 30 CHEDMO C=CCc1cc(C[N@H+](C)C[C@@H](C)CC)c(O)c(OC)c1 ZINC000754726583 1118646258 /nfs/dbraw/zinc/64/62/58/1118646258.db2.gz SRBGGAWWNCFKEY-ZDUSSCGKSA-N 1 1 277.408 3.607 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c(O)c(OC)c1 ZINC000754726587 1118646674 /nfs/dbraw/zinc/64/66/74/1118646674.db2.gz RKRKUXDUWPPXKP-ZDUSSCGKSA-N 1 1 277.408 3.606 20 30 CHEDMO CC1(C)C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000335869816 1118653409 /nfs/dbraw/zinc/65/34/09/1118653409.db2.gz LSWRJMFBLCHRAI-AWEZNQCLSA-N 1 1 283.400 3.527 20 30 CHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000051180659 1118678644 /nfs/dbraw/zinc/67/86/44/1118678644.db2.gz SPEDUONJEJLNCQ-IBGZPJMESA-N 1 1 292.382 3.774 20 30 CHEDMO 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C[N@@H+](Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC000180922782 1120019010 /nfs/dbraw/zinc/01/90/10/1120019010.db2.gz MPKXJWQHGUEXDP-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000186309418 1120019779 /nfs/dbraw/zinc/01/97/79/1120019779.db2.gz IHVKXRZKXOJSRN-UHFFFAOYSA-N 1 1 293.414 3.565 20 30 CHEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1cc(C)ccc1OC ZINC000903099999 1120067900 /nfs/dbraw/zinc/06/79/00/1120067900.db2.gz FMGVCZXNGLTRCZ-AWEZNQCLSA-N 1 1 260.381 3.594 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000387705729 1120091589 /nfs/dbraw/zinc/09/15/89/1120091589.db2.gz QCOCLXULPUDBEE-KRWDZBQOSA-N 1 1 299.418 3.541 20 30 CHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC001307543664 1120107864 /nfs/dbraw/zinc/10/78/64/1120107864.db2.gz MZRCDGCWOYXMME-IRXDYDNUSA-N 1 1 286.419 3.584 20 30 CHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@@H]1OC ZINC001307543665 1120108231 /nfs/dbraw/zinc/10/82/31/1120108231.db2.gz MZRCDGCWOYXMME-SJORKVTESA-N 1 1 286.419 3.584 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)c(F)c1 ZINC000122274859 1120110505 /nfs/dbraw/zinc/11/05/05/1120110505.db2.gz CKGCWWGZXJVGIT-VIFPVBQESA-N 1 1 254.736 3.679 20 30 CHEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1O ZINC000273533121 1120133703 /nfs/dbraw/zinc/13/37/03/1120133703.db2.gz WTAXJZNCYJAEHH-LBPRGKRZSA-N 1 1 296.345 3.743 20 30 CHEDMO C[C@H](CC(C)(C)C#N)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000924604212 1120140500 /nfs/dbraw/zinc/14/05/00/1120140500.db2.gz LVXNFYDNMHGINP-AEFFLSMTSA-N 1 1 299.462 3.741 20 30 CHEDMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000301857363 1120146646 /nfs/dbraw/zinc/14/66/46/1120146646.db2.gz DLLHWRKYIQGWBV-LLVKDONJSA-N 1 1 262.316 3.608 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000472743771 1120159058 /nfs/dbraw/zinc/15/90/58/1120159058.db2.gz BNZATRPTUFFPNP-GOSISDBHSA-N 1 1 299.414 3.607 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000472750928 1120160240 /nfs/dbraw/zinc/16/02/40/1120160240.db2.gz LSCDCHIAZVBHPS-PKOBYXMFSA-N 1 1 285.431 3.856 20 30 CHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)s2)s1 ZINC000123178106 1120171536 /nfs/dbraw/zinc/17/15/36/1120171536.db2.gz VYGCBVZUAJDBGG-SNVBAGLBSA-N 1 1 291.445 3.886 20 30 CHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)s2)s1 ZINC000123178106 1120171538 /nfs/dbraw/zinc/17/15/38/1120171538.db2.gz VYGCBVZUAJDBGG-SNVBAGLBSA-N 1 1 291.445 3.886 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)nc1 ZINC000153750557 1120171573 /nfs/dbraw/zinc/17/15/73/1120171573.db2.gz GNJKHKKRLBSWDL-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000472779059 1120172774 /nfs/dbraw/zinc/17/27/74/1120172774.db2.gz PNYXCZZIRFTBIT-LLVKDONJSA-N 1 1 288.218 3.752 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000472779059 1120172779 /nfs/dbraw/zinc/17/27/79/1120172779.db2.gz PNYXCZZIRFTBIT-LLVKDONJSA-N 1 1 288.218 3.752 20 30 CHEDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1CCCCC#N ZINC000404430217 1120178845 /nfs/dbraw/zinc/17/88/45/1120178845.db2.gz OGSPCNHZCGBZFU-KSZLIROESA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000404430217 1120178847 /nfs/dbraw/zinc/17/88/47/1120178847.db2.gz OGSPCNHZCGBZFU-KSZLIROESA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000404430217 1120178849 /nfs/dbraw/zinc/17/88/49/1120178849.db2.gz OGSPCNHZCGBZFU-KSZLIROESA-N 1 1 299.462 3.664 20 30 CHEDMO C=CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000303671196 1120178892 /nfs/dbraw/zinc/17/88/92/1120178892.db2.gz PDLPWBZAQIYVQA-ZDUSSCGKSA-N 1 1 253.798 3.616 20 30 CHEDMO C=CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000303671196 1120178894 /nfs/dbraw/zinc/17/88/94/1120178894.db2.gz PDLPWBZAQIYVQA-ZDUSSCGKSA-N 1 1 253.798 3.616 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000472790311 1120179678 /nfs/dbraw/zinc/17/96/78/1120179678.db2.gz KSNTUWGCDKJSGG-QGZVFWFLSA-N 1 1 291.435 3.623 20 30 CHEDMO CC[C@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000921761103 1120200139 /nfs/dbraw/zinc/20/01/39/1120200139.db2.gz NPJAPZVVUKMUSK-ZDUSSCGKSA-N 1 1 296.399 3.737 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250394486 1120206179 /nfs/dbraw/zinc/20/61/79/1120206179.db2.gz GGFPBTPCBCIUGH-CVEARBPZSA-N 1 1 284.403 3.579 20 30 CHEDMO C=C(CC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001625891685 1120217193 /nfs/dbraw/zinc/21/71/93/1120217193.db2.gz PVDXUGANPFGFOB-HNNXBMFYSA-N 1 1 286.419 3.966 20 30 CHEDMO Cc1ccoc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000271040486 1120227149 /nfs/dbraw/zinc/22/71/49/1120227149.db2.gz IGXOGEGNDFMYJG-UHFFFAOYSA-N 1 1 266.344 3.624 20 30 CHEDMO CCOc1cc(C)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921834848 1120233886 /nfs/dbraw/zinc/23/38/86/1120233886.db2.gz KGUZAIWCBMNBLL-UHFFFAOYSA-N 1 1 286.400 3.617 20 30 CHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000111257147 1120257530 /nfs/dbraw/zinc/25/75/30/1120257530.db2.gz ZNRNEOZJUWVVER-GFCCVEGCSA-N 1 1 292.810 3.565 20 30 CHEDMO Cc1cnc(Cl)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000921925451 1120285272 /nfs/dbraw/zinc/28/52/72/1120285272.db2.gz PAGSFHHHLWWXJX-UHFFFAOYSA-N 1 1 297.789 3.694 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2ccnc(C#N)c2)CCCC1(C)C ZINC000618327850 1128905334 /nfs/dbraw/zinc/90/53/34/1128905334.db2.gz QPBABUATHOZLGP-INIZCTEOSA-N 1 1 269.392 3.520 20 30 CHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H](C)C[C@@H](C)CC ZINC001168697224 1120294074 /nfs/dbraw/zinc/29/40/74/1120294074.db2.gz XIIMBYGTBNBQEE-QWHCGFSZSA-N 1 1 272.396 3.854 20 30 CHEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236855786 1128911703 /nfs/dbraw/zinc/91/17/03/1128911703.db2.gz NIDHABXPCBZIIH-NSHDSACASA-N 1 1 293.208 3.695 20 30 CHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236855786 1128911705 /nfs/dbraw/zinc/91/17/05/1128911705.db2.gz NIDHABXPCBZIIH-NSHDSACASA-N 1 1 293.208 3.695 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1C[N@H+](C(C)(C)C)CC2 ZINC000416387079 1120322682 /nfs/dbraw/zinc/32/26/82/1120322682.db2.gz JARXMXVNSHSTMD-UHFFFAOYSA-N 1 1 279.387 3.572 20 30 CHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc2ccccc2o1 ZINC000182624816 1120325071 /nfs/dbraw/zinc/32/50/71/1120325071.db2.gz SHTAEJXSHFGRBA-STQMWFEESA-N 1 1 267.332 3.527 20 30 CHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000363830503 1120327572 /nfs/dbraw/zinc/32/75/72/1120327572.db2.gz UVMMUXJHPGVVGE-GOEBONIOSA-N 1 1 271.408 3.794 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000339175624 1120336382 /nfs/dbraw/zinc/33/63/82/1120336382.db2.gz ZEFXUPUBQNERHZ-UPJWGTAASA-N 1 1 286.341 3.733 20 30 CHEDMO C=CC[N@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000590448010 1120337924 /nfs/dbraw/zinc/33/79/24/1120337924.db2.gz YTIPLNXKHNDZOO-GOSISDBHSA-N 1 1 272.436 3.549 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H](CC(F)F)c2ccccc2)o1 ZINC000421371509 1120385291 /nfs/dbraw/zinc/38/52/91/1120385291.db2.gz KSEBEUBLXXCEAT-CQSZACIVSA-N 1 1 276.286 3.637 20 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1 1 271.389 3.564 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000069085664 1120492297 /nfs/dbraw/zinc/49/22/97/1120492297.db2.gz MAFLAJQUUDWFBC-GOSISDBHSA-N 1 1 292.382 3.904 20 30 CHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)c(C)c2)C2CC2)o1 ZINC000618591479 1128920408 /nfs/dbraw/zinc/92/04/08/1128920408.db2.gz HBRZIXAGRAAJPX-UHFFFAOYSA-N 1 1 280.371 3.933 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000117872829 1120517730 /nfs/dbraw/zinc/51/77/30/1120517730.db2.gz LZASUJLYUUSRRQ-AWEZNQCLSA-N 1 1 270.376 3.973 20 30 CHEDMO Cc1cccc(NCc2ccc(F)c(C#N)c2Cl)[nH+]1 ZINC000428859785 1120541002 /nfs/dbraw/zinc/54/10/02/1120541002.db2.gz JDQNNGVLGBRQKO-UHFFFAOYSA-N 1 1 275.714 3.666 20 30 CHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(F)cc(CC#N)c1 ZINC001167754224 1120552232 /nfs/dbraw/zinc/55/22/32/1120552232.db2.gz OXWKBOREKJRWTF-AWEZNQCLSA-N 1 1 289.398 3.568 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000931174058 1120553099 /nfs/dbraw/zinc/55/30/99/1120553099.db2.gz JIZFFEHIXUYNRH-CABCVRRESA-N 1 1 292.835 3.682 20 30 CHEDMO C=CC[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000715801132 1120559735 /nfs/dbraw/zinc/55/97/35/1120559735.db2.gz SNKPUKUSOJEPOO-SECBINFHSA-N 1 1 274.227 3.907 20 30 CHEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1cc(C#N)cs1 ZINC000093689268 1120564091 /nfs/dbraw/zinc/56/40/91/1120564091.db2.gz IKBYOWBFJDDBEG-UHFFFAOYSA-N 1 1 282.368 3.998 20 30 CHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000093689773 1120565333 /nfs/dbraw/zinc/56/53/33/1120565333.db2.gz PQLIFJWARZENRP-DYVFJYSZSA-N 1 1 282.412 3.998 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000093868981 1120568301 /nfs/dbraw/zinc/56/83/01/1120568301.db2.gz FZJLELLDMJCZJK-QWHCGFSZSA-N 1 1 280.462 3.726 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)s1 ZINC000511658414 1120568577 /nfs/dbraw/zinc/56/85/77/1120568577.db2.gz YINSJSIEMYKINA-VTXSZYRJSA-N 1 1 272.417 3.630 20 30 CHEDMO N#Cc1csc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000155231598 1120576268 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/nfs/dbraw/zinc/09/77/98/1129097798.db2.gz ZJJPLIVMLQKCAJ-GOSISDBHSA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)on1 ZINC000776156424 1123087464 /nfs/dbraw/zinc/08/74/64/1123087464.db2.gz KBVUOFPZBNZTJP-ZDUSSCGKSA-N 1 1 299.374 3.551 20 30 CHEDMO C=CCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000473924689 1123093620 /nfs/dbraw/zinc/09/36/20/1123093620.db2.gz VXBZGEJWNIEYME-WBVHZDCISA-N 1 1 259.393 3.641 20 30 CHEDMO C[C@H]1CC[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000328641686 1123108005 /nfs/dbraw/zinc/10/80/05/1123108005.db2.gz DHRRWLWJBPGPNR-QWHCGFSZSA-N 1 1 284.363 3.682 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1 ZINC000328708132 1123108823 /nfs/dbraw/zinc/10/88/23/1123108823.db2.gz AYWDGAILDWRLQY-VYDXJSESSA-N 1 1 297.402 3.679 20 30 CHEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(C#N)cc2F)cc1 ZINC001201569484 1123125809 /nfs/dbraw/zinc/12/58/09/1123125809.db2.gz GOBOPRKOJYMSCQ-UHFFFAOYSA-N 1 1 292.317 3.935 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001201630485 1123129118 /nfs/dbraw/zinc/12/91/18/1123129118.db2.gz BAWCAWOVDIKWSP-IRXDYDNUSA-N 1 1 294.483 3.585 20 30 CHEDMO CCCCCCCCCCCN1CC[NH+](CCCO)CC1 ZINC001201631100 1123129987 /nfs/dbraw/zinc/12/99/87/1123129987.db2.gz MAKHQRCADWRWOR-UHFFFAOYSA-N 1 1 298.515 3.517 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)cc1C#N ZINC000441464303 1123136549 /nfs/dbraw/zinc/13/65/49/1123136549.db2.gz AJNJTLAMNPDRFR-XNJGSVPQSA-N 1 1 272.367 3.850 20 30 CHEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000350273156 1123147719 /nfs/dbraw/zinc/14/77/19/1123147719.db2.gz ZKUWMQGSVKNUOI-UHFFFAOYSA-N 1 1 270.401 3.961 20 30 CHEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000350273156 1123147720 /nfs/dbraw/zinc/14/77/20/1123147720.db2.gz ZKUWMQGSVKNUOI-UHFFFAOYSA-N 1 1 270.401 3.961 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001201804509 1123150176 /nfs/dbraw/zinc/15/01/76/1123150176.db2.gz NCGJWIYVIJJAFA-CVEARBPZSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001201804157 1123150403 /nfs/dbraw/zinc/15/04/03/1123150403.db2.gz DOJFMYMSRDCISQ-MRXNPFEDSA-N 1 1 255.446 3.831 20 30 CHEDMO CCCCCCCCC[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001201852950 1123152278 /nfs/dbraw/zinc/15/22/78/1123152278.db2.gz TYQFDDZHKOAOAI-UHFFFAOYSA-N 1 1 275.383 3.847 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190170914 1123153448 /nfs/dbraw/zinc/15/34/48/1123153448.db2.gz NKSGALJSZSRUFM-SECBINFHSA-N 1 1 255.711 3.649 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190170914 1123153451 /nfs/dbraw/zinc/15/34/51/1123153451.db2.gz NKSGALJSZSRUFM-SECBINFHSA-N 1 1 255.711 3.649 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001201839485 1123154109 /nfs/dbraw/zinc/15/41/09/1123154109.db2.gz FMWSBVWXWVHRQP-MRXNPFEDSA-N 1 1 291.439 3.599 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001201839856 1123154800 /nfs/dbraw/zinc/15/48/00/1123154800.db2.gz LETSBAPVDLUFFJ-MRXNPFEDSA-N 1 1 253.430 3.849 20 30 CHEDMO CCCCCCCCC[N@H+]1CCc2c(ncnc2OC)C1 ZINC001201846840 1123156310 /nfs/dbraw/zinc/15/63/10/1123156310.db2.gz NEUANXDURNBXFZ-UHFFFAOYSA-N 1 1 291.439 3.594 20 30 CHEDMO FC[C@]1(C(F)(F)F)CC[N@@H+](CCCC(F)(F)F)C1 ZINC001202377881 1123204219 /nfs/dbraw/zinc/20/42/19/1123204219.db2.gz PEHUSEACBDHLDP-MRVPVSSYSA-N 1 1 281.215 3.553 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](OC(C)C)C1 ZINC001252129899 1123225486 /nfs/dbraw/zinc/22/54/86/1123225486.db2.gz GPNXARNNYKONRU-SJORKVTESA-N 1 1 285.472 3.597 20 30 CHEDMO C=C(C)[C@@H]([NH2+]C/C=C/Cl)c1ccc(F)c(F)c1 ZINC000187764462 1123237348 /nfs/dbraw/zinc/23/73/48/1123237348.db2.gz WPLNFSYIFNSTSK-VUUYWXRKSA-N 1 1 257.711 3.924 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507860144 1123240751 /nfs/dbraw/zinc/24/07/51/1123240751.db2.gz AQVVGGPKFBGPIX-CVEARBPZSA-N 1 1 277.408 3.515 20 30 CHEDMO C=CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCCC1 ZINC000850498620 1123275120 /nfs/dbraw/zinc/27/51/20/1123275120.db2.gz YEDFCXNYNDPOAZ-ALOPSCKCSA-N 1 1 276.468 3.728 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428208304 1123279815 /nfs/dbraw/zinc/27/98/15/1123279815.db2.gz DBUJGXMABJCAOM-INIZCTEOSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cc1O ZINC000850552277 1123290072 /nfs/dbraw/zinc/29/00/72/1123290072.db2.gz YZVNULHUROHPBN-GFCCVEGCSA-N 1 1 276.355 3.656 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487413969 1123302043 /nfs/dbraw/zinc/30/20/43/1123302043.db2.gz SQCKSAOKVKCCAW-UONOGXRCSA-N 1 1 256.393 3.718 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1oc(CC)nc1C ZINC000428246508 1123307164 /nfs/dbraw/zinc/30/71/64/1123307164.db2.gz NYMSTTLRINHJPJ-UHFFFAOYSA-N 1 1 250.386 3.724 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428249056 1123312240 /nfs/dbraw/zinc/31/22/40/1123312240.db2.gz UJMZOWWPAQKYHM-UHFFFAOYSA-N 1 1 260.356 3.876 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@H]21 ZINC000543901859 1123316382 /nfs/dbraw/zinc/31/63/82/1123316382.db2.gz IKHCNGUECZHWTP-FHLIZLRMSA-N 1 1 271.379 3.688 20 30 CHEDMO CC(C)CCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000521338903 1123319972 /nfs/dbraw/zinc/31/99/72/1123319972.db2.gz URKZMWZERSFBRH-UHFFFAOYSA-N 1 1 272.392 3.505 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(OC)c1 ZINC000442814007 1123341170 /nfs/dbraw/zinc/34/11/70/1123341170.db2.gz UQXUPHDXLAGIOD-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO Cn1c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2[nH+]c1C(C)(C)C ZINC000442845628 1123341818 /nfs/dbraw/zinc/34/18/18/1123341818.db2.gz NHYCHEOJQXVCHC-STQMWFEESA-N 1 1 296.418 3.975 20 30 CHEDMO COc1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)ccc1C#N ZINC000442885701 1123346216 /nfs/dbraw/zinc/34/62/16/1123346216.db2.gz NYWKYBMJOQRCPE-UHFFFAOYSA-N 1 1 284.403 3.745 20 30 CHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442888927 1123347510 /nfs/dbraw/zinc/34/75/10/1123347510.db2.gz ICJZGBOPCBZANV-KRWDZBQOSA-N 1 1 272.392 3.579 20 30 CHEDMO COc1cc(C[N@@H+](CC2CC2)CC2CCC2)ccc1C#N ZINC000443071571 1123353992 /nfs/dbraw/zinc/35/39/92/1123353992.db2.gz TTYCBFCWIAZJLT-UHFFFAOYSA-N 1 1 284.403 3.579 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)n1 ZINC000851729230 1123376087 /nfs/dbraw/zinc/37/60/87/1123376087.db2.gz IQBPBAYVPHSKRT-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO N#CC1(F)CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000348717519 1123384207 /nfs/dbraw/zinc/38/42/07/1123384207.db2.gz UMFMQHRLVQSAMK-UHFFFAOYSA-N 1 1 284.334 3.774 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000852101148 1123396864 /nfs/dbraw/zinc/39/68/64/1123396864.db2.gz MXIJFIGLDSZQTP-GOSISDBHSA-N 1 1 298.386 3.632 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000852101689 1123397329 /nfs/dbraw/zinc/39/73/29/1123397329.db2.gz GSZSSURZWINBJY-GUYCJALGSA-N 1 1 268.360 3.794 20 30 CHEDMO C#CCCC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126874 1123398536 /nfs/dbraw/zinc/39/85/36/1123398536.db2.gz JBCUAOKFYSDHTR-NSHDSACASA-N 1 1 275.783 3.623 20 30 CHEDMO C#CCCC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126874 1123398540 /nfs/dbraw/zinc/39/85/40/1123398540.db2.gz JBCUAOKFYSDHTR-NSHDSACASA-N 1 1 275.783 3.623 20 30 CHEDMO C#CCCC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126874 1123398543 /nfs/dbraw/zinc/39/85/43/1123398543.db2.gz JBCUAOKFYSDHTR-NSHDSACASA-N 1 1 275.783 3.623 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000852331653 1123403111 /nfs/dbraw/zinc/40/31/11/1123403111.db2.gz BPNMNPWTUWKKHJ-HKUYNNGSSA-N 1 1 295.430 3.828 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000852331653 1123403113 /nfs/dbraw/zinc/40/31/13/1123403113.db2.gz BPNMNPWTUWKKHJ-HKUYNNGSSA-N 1 1 295.430 3.828 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852598716 1123410926 /nfs/dbraw/zinc/41/09/26/1123410926.db2.gz WDIIYUJXHHMJQA-HUUCEWRRSA-N 1 1 296.455 3.578 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000895228823 1123411698 /nfs/dbraw/zinc/41/16/98/1123411698.db2.gz QVGNPHWNGWPGAN-GFCCVEGCSA-N 1 1 286.400 3.733 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000853526127 1123443009 /nfs/dbraw/zinc/44/30/09/1123443009.db2.gz NEPKLGCSFPWXMG-LBPRGKRZSA-N 1 1 287.388 3.547 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000853526127 1123443010 /nfs/dbraw/zinc/44/30/10/1123443010.db2.gz NEPKLGCSFPWXMG-LBPRGKRZSA-N 1 1 287.388 3.547 20 30 CHEDMO C=CC[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H](C)COC ZINC000853533012 1123443214 /nfs/dbraw/zinc/44/32/14/1123443214.db2.gz SCPOVMZOQHPQPY-AWEZNQCLSA-N 1 1 285.387 3.568 20 30 CHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000895545085 1123490434 /nfs/dbraw/zinc/49/04/34/1123490434.db2.gz AXSHIPLQMSHYEN-INIZCTEOSA-N 1 1 290.382 3.551 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474236780 1123492457 /nfs/dbraw/zinc/49/24/57/1123492457.db2.gz XOACUGIQDJPYHV-SJLPKXTDSA-N 1 1 273.420 3.767 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000895902397 1123528934 /nfs/dbraw/zinc/52/89/34/1123528934.db2.gz YZFMJDLGFRUDCX-OAHLLOKOSA-N 1 1 284.403 3.744 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000121166822 1123528955 /nfs/dbraw/zinc/52/89/55/1123528955.db2.gz GTDCJYMZXFAHRX-UHFFFAOYSA-N 1 1 274.408 3.647 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000895902396 1123529101 /nfs/dbraw/zinc/52/91/01/1123529101.db2.gz YZFMJDLGFRUDCX-HNNXBMFYSA-N 1 1 284.403 3.744 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000338980937 1123535693 /nfs/dbraw/zinc/53/56/93/1123535693.db2.gz IWBYJURIYPLKQN-MFKMUULPSA-N 1 1 266.747 3.603 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000338980937 1123535697 /nfs/dbraw/zinc/53/56/97/1123535697.db2.gz IWBYJURIYPLKQN-MFKMUULPSA-N 1 1 266.747 3.603 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227708 1123563469 /nfs/dbraw/zinc/56/34/69/1123563469.db2.gz OKNNMHZFGWKRBZ-GFCCVEGCSA-N 1 1 292.320 3.683 20 30 CHEDMO CCCC[N@@H+](CC)Cc1cc(Br)ccc1C#N ZINC001141894502 1123586368 /nfs/dbraw/zinc/58/63/68/1123586368.db2.gz MNXIGFLYAVEXER-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO COc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000428311750 1123647276 /nfs/dbraw/zinc/64/72/76/1123647276.db2.gz SYMWRCRCDBHQIT-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC000858383647 1123649540 /nfs/dbraw/zinc/64/95/40/1123649540.db2.gz ZTFVDSWIXDGXOT-DZGCQCFKSA-N 1 1 270.401 3.867 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000859445032 1123698615 /nfs/dbraw/zinc/69/86/15/1123698615.db2.gz JMMXZHHSMGBMKJ-HNNXBMFYSA-N 1 1 297.398 3.808 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000346961244 1123735175 /nfs/dbraw/zinc/73/51/75/1123735175.db2.gz FMSGCLFOZIKOAS-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000346961244 1123735184 /nfs/dbraw/zinc/73/51/84/1123735184.db2.gz FMSGCLFOZIKOAS-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862402193 1123806649 /nfs/dbraw/zinc/80/66/49/1123806649.db2.gz JHISNNXUZOEEKW-JTQLQIEISA-N 1 1 273.323 3.612 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862402193 1123806660 /nfs/dbraw/zinc/80/66/60/1123806660.db2.gz JHISNNXUZOEEKW-JTQLQIEISA-N 1 1 273.323 3.612 20 30 CHEDMO Cc1c(F)nccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000862398150 1123806886 /nfs/dbraw/zinc/80/68/86/1123806886.db2.gz ZCFOQGQRIALTNG-CYBMUJFWSA-N 1 1 283.350 3.594 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862402194 1123807089 /nfs/dbraw/zinc/80/70/89/1123807089.db2.gz JHISNNXUZOEEKW-SNVBAGLBSA-N 1 1 273.323 3.612 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862402194 1123807094 /nfs/dbraw/zinc/80/70/94/1123807094.db2.gz JHISNNXUZOEEKW-SNVBAGLBSA-N 1 1 273.323 3.612 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000862443233 1123809680 /nfs/dbraw/zinc/80/96/80/1123809680.db2.gz MMRSBESESGKWQA-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000862444438 1123810954 /nfs/dbraw/zinc/81/09/54/1123810954.db2.gz AHOXEDQQPQEPIN-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000862445617 1123811301 /nfs/dbraw/zinc/81/13/01/1123811301.db2.gz YFILHFMAAUZBCA-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO CC(C)c1cccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)c1 ZINC000863195692 1123849962 /nfs/dbraw/zinc/84/99/62/1123849962.db2.gz JIUFFUNJRLRKOF-KTKRTIGZSA-N 1 1 297.402 3.506 20 30 CHEDMO CCCCC[N@@H+](CCCOC)Cc1cccc(F)c1C#N ZINC000428342344 1123877383 /nfs/dbraw/zinc/87/73/83/1123877383.db2.gz AJPJDTXDOWENGS-UHFFFAOYSA-N 1 1 292.398 3.726 20 30 CHEDMO CC[C@@H](C#N)Oc1cccc(CNc2cc(C)cc[nH+]2)c1 ZINC000301622653 1123918823 /nfs/dbraw/zinc/91/88/23/1123918823.db2.gz FXJRXQIEHXOGBG-HNNXBMFYSA-N 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C=CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169140646 1129706008 /nfs/dbraw/zinc/70/60/08/1129706008.db2.gz LCEBLSFBSLICHO-BWTSREIZSA-N 1 1 284.447 3.690 20 30 CHEDMO Cc1cccc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001169206256 1129707490 /nfs/dbraw/zinc/70/74/90/1129707490.db2.gz FKDPDPDOIGZGCQ-IBGZPJMESA-N 1 1 293.385 3.975 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000796431370 1129714583 /nfs/dbraw/zinc/71/45/83/1129714583.db2.gz XKRWQRCULXIIMQ-DLBZAZTESA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCCCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796431370 1129714585 /nfs/dbraw/zinc/71/45/85/1129714585.db2.gz XKRWQRCULXIIMQ-DLBZAZTESA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@H](C)CC(=O)N(CC)CC ZINC001169475943 1129730881 /nfs/dbraw/zinc/73/08/81/1129730881.db2.gz OPFGMEFSSDCQEU-OAHLLOKOSA-N 1 1 270.461 3.536 20 30 CHEDMO C=CCN(C)CC[N@H+](CC)[C@H]1CCc2c1cccc2Cl ZINC001169843668 1129760123 /nfs/dbraw/zinc/76/01/23/1129760123.db2.gz 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C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1C(C)(C)OC ZINC001139029529 1129838561 /nfs/dbraw/zinc/83/85/61/1129838561.db2.gz CEQKEKZRQPDOPZ-KRWDZBQOSA-N 1 1 289.419 3.641 20 30 CHEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000276237886 1129844623 /nfs/dbraw/zinc/84/46/23/1129844623.db2.gz ORSLVXDXEUBSGI-UWVGGRQHSA-N 1 1 256.271 3.658 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1O ZINC000768484318 1129857806 /nfs/dbraw/zinc/85/78/06/1129857806.db2.gz NAJHMZIREKAMRP-UHFFFAOYSA-N 1 1 294.398 3.985 20 30 CHEDMO C=CCCCCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC001460313215 1129859336 /nfs/dbraw/zinc/85/93/36/1129859336.db2.gz ABAYVELNFRCACK-UHFFFAOYSA-N 1 1 281.440 3.929 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C(C)C ZINC000768547862 1129863248 /nfs/dbraw/zinc/86/32/48/1129863248.db2.gz SKQKVEZPAUTYKU-SFHVURJKSA-N 1 1 289.419 3.641 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccc(C)c1)C(C)C ZINC000768547435 1129865103 /nfs/dbraw/zinc/86/51/03/1129865103.db2.gz MKRFVCNOJKDRAY-UHFFFAOYSA-N 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C#CCOc1ccccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000771941132 1129997985 /nfs/dbraw/zinc/99/79/85/1129997985.db2.gz YEUAGGQMJJRXTQ-GOSISDBHSA-N 1 1 277.367 3.646 20 30 CHEDMO CCCCCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143159 1131412993 /nfs/dbraw/zinc/41/29/93/1131412993.db2.gz KSTIUROHFJKTQJ-UHFFFAOYSA-N 1 1 281.831 3.849 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143159 1131412997 /nfs/dbraw/zinc/41/29/97/1131412997.db2.gz KSTIUROHFJKTQJ-UHFFFAOYSA-N 1 1 281.831 3.849 20 30 CHEDMO CC[C@@H]([NH2+]Cc1csc(C)n1)c1cccc(C#N)c1 ZINC000902756321 1130052058 /nfs/dbraw/zinc/05/20/58/1130052058.db2.gz FPFAEGPNOIZUMO-OAHLLOKOSA-N 1 1 271.389 3.564 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1O)[C@H]1CCc2ccccc21 ZINC000772600749 1130033339 /nfs/dbraw/zinc/03/33/39/1130033339.db2.gz YOPFHSKQUFKXGT-SFHVURJKSA-N 1 1 277.367 3.515 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1ccnc(N)c1 ZINC000785661673 1130049736 /nfs/dbraw/zinc/04/97/36/1130049736.db2.gz WCEGLPDXSLNBOU-UHFFFAOYSA-N 1 1 263.429 3.846 20 30 CHEDMO CCc1nc(C[NH2+][C@H](CC)c2cccc(C#N)c2)cs1 ZINC000902795528 1130059020 /nfs/dbraw/zinc/05/90/20/1130059020.db2.gz GULQFYBOEIKIEV-OAHLLOKOSA-N 1 1 285.416 3.818 20 30 CHEDMO CC[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000902852830 1130070947 /nfs/dbraw/zinc/07/09/47/1130070947.db2.gz DBPZRLCIBXHFLO-SFHVURJKSA-N 1 1 299.462 3.862 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000785996568 1130072199 /nfs/dbraw/zinc/07/21/99/1130072199.db2.gz FCABLSDNESUXIM-INIZCTEOSA-N 1 1 297.398 3.950 20 30 CHEDMO CC1(C)C[C@@H]([NH2+]CC2(C#N)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000903033743 1130102884 /nfs/dbraw/zinc/10/28/84/1130102884.db2.gz YNVLHZONGCMAGM-OAHLLOKOSA-N 1 1 299.374 3.601 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903100169 1130112124 /nfs/dbraw/zinc/11/21/24/1130112124.db2.gz IPEJXCVCOMPWBU-SNVBAGLBSA-N 1 1 266.772 3.549 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)ccc1OC ZINC000903106893 1130113898 /nfs/dbraw/zinc/11/38/98/1130113898.db2.gz YCIGGDFGORKVNU-CYBMUJFWSA-N 1 1 278.783 3.693 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccnn1-c1ccccc1 ZINC000903108607 1130114498 /nfs/dbraw/zinc/11/44/98/1130114498.db2.gz FFHMCRJUEHOVOP-OAHLLOKOSA-N 1 1 294.402 3.607 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCSc3ccccc32)CCCC1 ZINC000903108112 1130114935 /nfs/dbraw/zinc/11/49/35/1130114935.db2.gz MSIQVUVHHVDNRZ-CQSZACIVSA-N 1 1 272.417 3.897 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cc1N(C)C ZINC000903110020 1130115233 /nfs/dbraw/zinc/11/52/33/1130115233.db2.gz YYMBVALKBHZTEI-CYBMUJFWSA-N 1 1 289.398 3.626 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746660988 1130138007 /nfs/dbraw/zinc/13/80/07/1130138007.db2.gz DFCCELAHRUBKHY-UHFFFAOYSA-N 1 1 268.744 3.645 20 30 CHEDMO C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)c2sccc21 ZINC000903264567 1130139595 /nfs/dbraw/zinc/13/95/95/1130139595.db2.gz UIBPWVLVXAVBOU-BXKDBHETSA-N 1 1 289.429 3.804 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000787997395 1130168022 /nfs/dbraw/zinc/16/80/22/1130168022.db2.gz MJZUCPLJWVMTGW-UHFFFAOYSA-N 1 1 271.404 3.658 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000787998353 1130168035 /nfs/dbraw/zinc/16/80/35/1130168035.db2.gz ZWTPHEANCTWVCD-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000787998353 1130168038 /nfs/dbraw/zinc/16/80/38/1130168038.db2.gz ZWTPHEANCTWVCD-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000787997737 1130168436 /nfs/dbraw/zinc/16/84/36/1130168436.db2.gz QQNDSEZOZFUUJH-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000787997737 1130168437 /nfs/dbraw/zinc/16/84/37/1130168437.db2.gz QQNDSEZOZFUUJH-UHFFFAOYSA-N 1 1 288.778 3.839 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000748831827 1130251554 /nfs/dbraw/zinc/25/15/54/1130251554.db2.gz CBPVEXAJONGJGF-SFHVURJKSA-N 1 1 296.345 3.675 20 30 CHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000748831827 1130251555 /nfs/dbraw/zinc/25/15/55/1130251555.db2.gz CBPVEXAJONGJGF-SFHVURJKSA-N 1 1 296.345 3.675 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1 ZINC000789586372 1130260748 /nfs/dbraw/zinc/26/07/48/1130260748.db2.gz NEBTUXGSFWVJIY-QKPAOTATSA-N 1 1 286.419 3.844 20 30 CHEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1O ZINC000796694028 1130279130 /nfs/dbraw/zinc/27/91/30/1130279130.db2.gz IRBLERYVBWQMAK-INIZCTEOSA-N 1 1 284.334 3.644 20 30 CHEDMO CC[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C1CC1 ZINC001139400340 1130282645 /nfs/dbraw/zinc/28/26/45/1130282645.db2.gz OXRGMTWNTVLPLL-UHFFFAOYSA-N 1 1 277.371 3.605 20 30 CHEDMO C=C(C)[C@H](CO)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000677047900 1130284670 /nfs/dbraw/zinc/28/46/70/1130284670.db2.gz JQPKNDUTJKAYNK-UXHICEINSA-N 1 1 293.410 3.571 20 30 CHEDMO C=C(C)[C@@H](CO)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000677047902 1130284777 /nfs/dbraw/zinc/28/47/77/1130284777.db2.gz JQPKNDUTJKAYNK-WOJBJXKFSA-N 1 1 293.410 3.571 20 30 CHEDMO Cc1cccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000790141658 1130291834 /nfs/dbraw/zinc/29/18/34/1130291834.db2.gz QYXGMAVIJLEAHD-UHFFFAOYSA-N 1 1 282.391 3.681 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[C@H](C#N)C1 ZINC001254673383 1130294345 /nfs/dbraw/zinc/29/43/45/1130294345.db2.gz KCMBSZWAMHMWDU-RDJZCZTQSA-N 1 1 256.393 3.818 20 30 CHEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000826877126 1130305389 /nfs/dbraw/zinc/30/53/89/1130305389.db2.gz AAUPAGIYKUNZSG-IAGOWNOFSA-N 1 1 296.499 3.831 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000826946919 1130317717 /nfs/dbraw/zinc/31/77/17/1130317717.db2.gz LXOZEVZYDVEQFI-CVEARBPZSA-N 1 1 284.403 3.766 20 30 CHEDMO C#CC[N@@H+](Cc1cc(C)ccn1)[C@H]1CCc2ccccc21 ZINC000792209663 1130440769 /nfs/dbraw/zinc/44/07/69/1130440769.db2.gz GKEYUVUKTGPLHH-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO C#CC[N@H+](Cc1cc(C)ccn1)[C@H]1CCc2ccccc21 ZINC000792209663 1130440775 /nfs/dbraw/zinc/44/07/75/1130440775.db2.gz GKEYUVUKTGPLHH-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000678715147 1130447558 /nfs/dbraw/zinc/44/75/58/1130447558.db2.gz CUOUVUYUFCLRFE-HOCLYGCPSA-N 1 1 273.424 3.709 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC001170193980 1130456366 /nfs/dbraw/zinc/45/63/66/1130456366.db2.gz JATPOKIWTHOPEF-MRXNPFEDSA-N 1 1 293.838 3.879 20 30 CHEDMO C[N@@H+](Cc1ccon1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396304 1130487900 /nfs/dbraw/zinc/48/79/00/1130487900.db2.gz WZXHZASQWPGSDP-UHFFFAOYSA-N 1 1 295.386 3.511 20 30 CHEDMO C=C(C)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001240833492 1130488860 /nfs/dbraw/zinc/48/88/60/1130488860.db2.gz ZCDGBUPKIOUBDC-UHFFFAOYSA-N 1 1 287.432 3.937 20 30 CHEDMO C=C(C)c1ccc2[nH]cc(C[C@H]3CCC[N@@H+]3C)c2c1 ZINC001240838169 1130489559 /nfs/dbraw/zinc/48/95/59/1130489559.db2.gz WMVZKLQAJHIXQL-OAHLLOKOSA-N 1 1 254.377 3.838 20 30 CHEDMO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CCC1 ZINC000793353094 1130549213 /nfs/dbraw/zinc/54/92/13/1130549213.db2.gz RGLHBSMXBIYIPX-CQSZACIVSA-N 1 1 272.392 3.599 20 30 CHEDMO CC[C@@H](CC#N)[NH+]1CCC(Sc2ccccc2)CC1 ZINC001255176207 1130557012 /nfs/dbraw/zinc/55/70/12/1130557012.db2.gz YGHZFPAEQOSYHV-AWEZNQCLSA-N 1 1 274.433 3.935 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000793526329 1130564479 /nfs/dbraw/zinc/56/44/79/1130564479.db2.gz QPQLMGWVZLHMEY-CVEARBPZSA-N 1 1 264.457 3.585 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000793526338 1130564724 /nfs/dbraw/zinc/56/47/24/1130564724.db2.gz QPQLMGWVZLHMEY-JKSUJKDBSA-N 1 1 264.457 3.585 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000793545872 1130567323 /nfs/dbraw/zinc/56/73/23/1130567323.db2.gz DJCSKUSLXLSUBQ-ZIAGYGMSSA-N 1 1 263.429 3.764 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1OC(F)F ZINC000811495966 1130612857 /nfs/dbraw/zinc/61/28/57/1130612857.db2.gz NHEZQELITFQUKD-XSNHNAGMSA-N 1 1 279.330 3.645 20 30 CHEDMO N#Cc1cc(C[N@@H+](CCc2ccccc2)C2CC2)ccc1F ZINC000758700586 1130621842 /nfs/dbraw/zinc/62/18/42/1130621842.db2.gz YYCOZQVQVOTOSS-UHFFFAOYSA-N 1 1 294.373 3.904 20 30 CHEDMO Brc1cnn([NH+]=C2CCC3(CCCC3)CC2)c1 ZINC000811645436 1130627874 /nfs/dbraw/zinc/62/78/74/1130627874.db2.gz LULBQHDOTDINHM-UHFFFAOYSA-N 1 1 296.212 3.984 20 30 CHEDMO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C(C)C ZINC000759130307 1130638226 /nfs/dbraw/zinc/63/82/26/1130638226.db2.gz SMUHPKHLQHCOFX-AWEZNQCLSA-N 1 1 288.218 3.923 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCCC23CCCCC3)cc1 ZINC000759386198 1130653988 /nfs/dbraw/zinc/65/39/88/1130653988.db2.gz GZMTZPWQCOOEDM-UHFFFAOYSA-N 1 1 284.403 3.888 20 30 CHEDMO C=CCCC(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000747771847 1130671932 /nfs/dbraw/zinc/67/19/32/1130671932.db2.gz HWMMROOIMUPYRB-SFHVURJKSA-N 1 1 287.403 3.551 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235039866 1130704166 /nfs/dbraw/zinc/70/41/66/1130704166.db2.gz RCPHRQDRVDMGOQ-AWEZNQCLSA-N 1 1 297.377 3.946 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccc(F)cc1 ZINC000812792456 1130715361 /nfs/dbraw/zinc/71/53/61/1130715361.db2.gz APNUXIHZZKSMCX-KRWDZBQOSA-N 1 1 283.346 3.607 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1CCNC[C@@H]1C ZINC001235362536 1130737151 /nfs/dbraw/zinc/73/71/51/1130737151.db2.gz PIWHRTWDYINTBJ-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170693987 1130728028 /nfs/dbraw/zinc/72/80/28/1130728028.db2.gz GNEJBDRVGFWEIR-HNNXBMFYSA-N 1 1 292.373 3.838 20 30 CHEDMO C=CCCCCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235257198 1130729346 /nfs/dbraw/zinc/72/93/46/1130729346.db2.gz WRSKYMPSRNYTII-SJORKVTESA-N 1 1 264.457 3.587 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1c(C)ncn1C ZINC001235543132 1130754976 /nfs/dbraw/zinc/75/49/76/1130754976.db2.gz LPTKHPFCEINUCE-UHFFFAOYSA-N 1 1 251.418 3.521 20 30 CHEDMO C=CCCCCCCCCC[N@H+]1CCNC[C@@H]1C ZINC001235362536 1130737145 /nfs/dbraw/zinc/73/71/45/1130737145.db2.gz PIWHRTWDYINTBJ-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(C)cc(Br)c1O ZINC000781900932 1130747444 /nfs/dbraw/zinc/74/74/44/1130747444.db2.gz OIBSUICEOGLFJJ-UHFFFAOYSA-N 1 1 296.208 3.637 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235526560 1130750352 /nfs/dbraw/zinc/75/03/52/1130750352.db2.gz DMOLHFLSEOGNCH-FUHWJXTLSA-N 1 1 268.404 3.907 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCc2ccccc2C1 ZINC000782042868 1130753582 /nfs/dbraw/zinc/75/35/82/1130753582.db2.gz SVQYJASDXIZHMJ-MRXNPFEDSA-N 1 1 270.420 3.663 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccn1C(=O)OC(C)(C)C ZINC001235641826 1130760229 /nfs/dbraw/zinc/76/02/29/1130760229.db2.gz JFWFVOPOBPPQNS-UHFFFAOYSA-N 1 1 278.396 3.669 20 30 CHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235661784 1130762298 /nfs/dbraw/zinc/76/22/98/1130762298.db2.gz SMWHQLGGCNOFEW-AULYBMBSSA-N 1 1 278.346 3.847 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235656335 1130763242 /nfs/dbraw/zinc/76/32/42/1130763242.db2.gz CIJPPIRFHPAXEA-NSHDSACASA-N 1 1 264.319 3.601 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](N)Cc1ccccc1 ZINC001235701400 1130769515 /nfs/dbraw/zinc/76/95/15/1130769515.db2.gz AXXPJJFJBFCQQQ-HXUWFJFHSA-N 1 1 294.442 3.635 20 30 CHEDMO C=CCCN(Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235701400 1130769517 /nfs/dbraw/zinc/76/95/17/1130769517.db2.gz AXXPJJFJBFCQQQ-HXUWFJFHSA-N 1 1 294.442 3.635 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(C)ccc1OC ZINC000783293441 1130812377 /nfs/dbraw/zinc/81/23/77/1130812377.db2.gz HQANHBDIWFGTEY-QGZVFWFLSA-N 1 1 295.386 3.511 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCNC[C@H]1CCC ZINC001236131600 1130872255 /nfs/dbraw/zinc/87/22/55/1130872255.db2.gz CXCVEGFCHMFWPY-MRXNPFEDSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCCN1CC[NH2+]C[C@H]1CCC ZINC001236131600 1130872260 /nfs/dbraw/zinc/87/22/60/1130872260.db2.gz CXCVEGFCHMFWPY-MRXNPFEDSA-N 1 1 252.446 3.587 20 30 CHEDMO N#CCc1ccc(C[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000784141150 1130883610 /nfs/dbraw/zinc/88/36/10/1130883610.db2.gz RHVPNSYENNCJKE-UHFFFAOYSA-N 1 1 290.410 3.960 20 30 CHEDMO CC(=[NH+]Nc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814684433 1130894972 /nfs/dbraw/zinc/89/49/72/1130894972.db2.gz UBGUSSUPQYFXKX-UHFFFAOYSA-N 1 1 259.740 3.758 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666861 1130896328 /nfs/dbraw/zinc/89/63/28/1130896328.db2.gz KROLMHCHFAKDFT-LBPRGKRZSA-N 1 1 256.176 3.882 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666861 1130896335 /nfs/dbraw/zinc/89/63/35/1130896335.db2.gz KROLMHCHFAKDFT-LBPRGKRZSA-N 1 1 256.176 3.882 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(N)nc2)cc1 ZINC001236316448 1130913276 /nfs/dbraw/zinc/91/32/76/1130913276.db2.gz FXYYVUBLDUIQOU-KRWDZBQOSA-N 1 1 279.387 3.654 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(N)nc2)cc1 ZINC001236316449 1130913400 /nfs/dbraw/zinc/91/34/00/1130913400.db2.gz 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ZINC001138556105 1131520086 /nfs/dbraw/zinc/52/00/86/1131520086.db2.gz FZLJEMLVHMLZCN-UHFFFAOYSA-N 1 1 277.367 3.523 20 30 CHEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC001138557339 1131520888 /nfs/dbraw/zinc/52/08/88/1131520888.db2.gz HQDYTFQSTXPCJR-PKOBYXMFSA-N 1 1 283.415 3.853 20 30 CHEDMO C#CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC001138560394 1131521566 /nfs/dbraw/zinc/52/15/66/1131521566.db2.gz VBROUZXZANUIDL-MRXNPFEDSA-N 1 1 291.394 3.645 20 30 CHEDMO C=CCc1cccc(C[N@@H+]2Cc3cccc(OC)c3C2)c1O ZINC001138630613 1131530280 /nfs/dbraw/zinc/53/02/80/1131530280.db2.gz YZKIKIJDGAPEKN-UHFFFAOYSA-N 1 1 295.382 3.645 20 30 CHEDMO C=CCc1cccc(C[N@H+]2Cc3cccc(OC)c3C2)c1O ZINC001138630613 1131530282 /nfs/dbraw/zinc/53/02/82/1131530282.db2.gz YZKIKIJDGAPEKN-UHFFFAOYSA-N 1 1 295.382 3.645 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+](C)Cc1cccnc1 ZINC001138662927 1131533815 /nfs/dbraw/zinc/53/38/15/1131533815.db2.gz HTQJELMKOMDZSI-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC001138662927 1131533820 /nfs/dbraw/zinc/53/38/20/1131533820.db2.gz HTQJELMKOMDZSI-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](OCCC)C1 ZINC001138664030 1131533897 /nfs/dbraw/zinc/53/38/97/1131533897.db2.gz HMSIVXXLDGRLOP-KRWDZBQOSA-N 1 1 289.419 3.642 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001138661921 1131534147 /nfs/dbraw/zinc/53/41/47/1131534147.db2.gz JCVIJIVGICBSGO-QGZVFWFLSA-N 1 1 277.383 3.966 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001138661921 1131534148 /nfs/dbraw/zinc/53/41/48/1131534148.db2.gz JCVIJIVGICBSGO-QGZVFWFLSA-N 1 1 277.383 3.966 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC001138666959 1131535433 /nfs/dbraw/zinc/53/54/33/1131535433.db2.gz JFOAHSFYLXIQAH-WBVHZDCISA-N 1 1 289.419 3.641 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138919038 1131560423 /nfs/dbraw/zinc/56/04/23/1131560423.db2.gz YLEBJYWUYXEMDR-UHFFFAOYSA-N 1 1 264.372 3.949 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2[nH]ccc2c1Cl)C(C)(C)C ZINC001138934998 1131560843 /nfs/dbraw/zinc/56/08/43/1131560843.db2.gz UYMFRZQGBOCWOY-UHFFFAOYSA-N 1 1 277.799 3.954 20 30 CHEDMO CC(C)COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001138970176 1131567992 /nfs/dbraw/zinc/56/79/92/1131567992.db2.gz NFFIPLKZJSHLPZ-NNZMDNLPSA-N 1 1 298.430 3.988 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H](C)C1 ZINC001139028804 1131574021 /nfs/dbraw/zinc/57/40/21/1131574021.db2.gz CXPXIKJBDYLFBB-HNNXBMFYSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC001139028885 1131574038 /nfs/dbraw/zinc/57/40/38/1131574038.db2.gz HTEQBIUDDCQHNK-INIZCTEOSA-N 1 1 263.356 3.575 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC001139028885 1131574041 /nfs/dbraw/zinc/57/40/41/1131574041.db2.gz HTEQBIUDDCQHNK-INIZCTEOSA-N 1 1 263.356 3.575 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](CC1CC1)C1CC1 ZINC001139030422 1131574366 /nfs/dbraw/zinc/57/43/66/1131574366.db2.gz 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N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001139687589 1131628867 /nfs/dbraw/zinc/62/88/67/1131628867.db2.gz TXXVPFCFTBJAJW-TXEJJXNPSA-N 1 1 296.748 3.689 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001139687589 1131628870 /nfs/dbraw/zinc/62/88/70/1131628870.db2.gz TXXVPFCFTBJAJW-TXEJJXNPSA-N 1 1 296.748 3.689 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(Cl)c1C#N)C(C)(C)C ZINC001139693696 1131630259 /nfs/dbraw/zinc/63/02/59/1131630259.db2.gz OLIOQOMBLNQQFO-UHFFFAOYSA-N 1 1 262.784 3.998 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1C#N ZINC001139723207 1131632124 /nfs/dbraw/zinc/63/21/24/1131632124.db2.gz VTFATZUQWKYSHR-SFHVURJKSA-N 1 1 276.383 3.856 20 30 CHEDMO Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc1C#N ZINC001139725943 1131632259 /nfs/dbraw/zinc/63/22/59/1131632259.db2.gz KWLXJAYDRSSYDB-OAHLLOKOSA-N 1 1 276.383 3.814 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCCc2ccccc2)cc1C#N ZINC001139724185 1131632366 /nfs/dbraw/zinc/63/23/66/1131632366.db2.gz MRISEWHWKDABQP-UHFFFAOYSA-N 1 1 278.399 3.931 20 30 CHEDMO Cc1ccc(C[N@H+]2CCCc3ccccc3C2)cc1C#N ZINC001139726626 1131632602 /nfs/dbraw/zinc/63/26/02/1131632602.db2.gz WSMLYSLJOZAUBA-UHFFFAOYSA-N 1 1 276.383 3.815 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCc2cccc(F)c2)cc1C#N ZINC001139727435 1131633559 /nfs/dbraw/zinc/63/35/59/1131633559.db2.gz QRTRMNQCMMDRRQ-UHFFFAOYSA-N 1 1 282.362 3.680 20 30 CHEDMO C=CCn1cc(C[N@@H+](Cc2ccccc2)CC(C)C)cn1 ZINC001139765261 1131635648 /nfs/dbraw/zinc/63/56/48/1131635648.db2.gz AEGHBHXZFGMPCN-UHFFFAOYSA-N 1 1 283.419 3.727 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC001139766228 1131635770 /nfs/dbraw/zinc/63/57/70/1131635770.db2.gz MXRPUGGHJOXRFP-KRWDZBQOSA-N 1 1 285.366 3.545 20 30 CHEDMO C=CCn1cc(C[N@H+](C)[C@@H](CC)c2ccccc2)cn1 ZINC001139772870 1131636338 /nfs/dbraw/zinc/63/63/38/1131636338.db2.gz RPGKVTVRVLWJNN-KRWDZBQOSA-N 1 1 269.392 3.652 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCCC1(F)F ZINC001171189665 1131639563 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1131676525 /nfs/dbraw/zinc/67/65/25/1131676525.db2.gz RNUCQDCLXJWJQJ-UHFFFAOYSA-N 1 1 260.381 3.525 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001171203347 1131676733 /nfs/dbraw/zinc/67/67/33/1131676733.db2.gz LNPWOCSWUAMVFZ-OWCLPIDISA-N 1 1 270.420 3.857 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)no1 ZINC001171204696 1131677931 /nfs/dbraw/zinc/67/79/31/1131677931.db2.gz ZUMNHDGOQFDKKG-ACJLOTCBSA-N 1 1 295.386 3.623 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC001171209150 1131685541 /nfs/dbraw/zinc/68/55/41/1131685541.db2.gz IQQHUIVGYMWKBD-CABCVRRESA-N 1 1 256.393 3.611 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001140337185 1131702604 /nfs/dbraw/zinc/70/26/04/1131702604.db2.gz GGVHIXYLCAHXCR-CQSZACIVSA-N 1 1 297.427 3.936 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H](C)Cc1cccc(C#N)c1 ZINC001171220685 1131705845 /nfs/dbraw/zinc/70/58/45/1131705845.db2.gz DGEJHEBHFVJQAG-OAHLLOKOSA-N 1 1 269.392 3.505 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140381083 1131708858 /nfs/dbraw/zinc/70/88/58/1131708858.db2.gz PLFHYIJSFPAMPW-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140380704 1131708880 /nfs/dbraw/zinc/70/88/80/1131708880.db2.gz ALIQQETYXIPGGG-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2ccc(F)cc2C1 ZINC001171225044 1131710461 /nfs/dbraw/zinc/71/04/61/1131710461.db2.gz XDRWZCNAPKEPFJ-CYBMUJFWSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC001171225111 1131710469 /nfs/dbraw/zinc/71/04/69/1131710469.db2.gz XTYAXJKJOIRYLL-HNAYVOBHSA-N 1 1 276.383 3.936 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2n[nH]cc2c1 ZINC001140387126 1131710974 /nfs/dbraw/zinc/71/09/74/1131710974.db2.gz APMKWBZHWAWEKT-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)Cc1cccc(C#N)c1 ZINC001171231000 1131713554 /nfs/dbraw/zinc/71/35/54/1131713554.db2.gz 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ZINC001172316894 1132157661 /nfs/dbraw/zinc/15/76/61/1132157661.db2.gz YBZUBTCLGXUEAW-RHSMWYFYSA-N 1 1 274.383 3.703 20 30 CHEDMO CCC(CC)[N@@H+](CC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172320412 1132158772 /nfs/dbraw/zinc/15/87/72/1132158772.db2.gz VESMONDAFPGATA-CQSZACIVSA-N 1 1 258.409 4.000 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172354701 1132184031 /nfs/dbraw/zinc/18/40/31/1132184031.db2.gz KFQBBXUKIACIQL-IXDOHACOSA-N 1 1 266.473 3.619 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001172354701 1132184039 /nfs/dbraw/zinc/18/40/39/1132184039.db2.gz KFQBBXUKIACIQL-IXDOHACOSA-N 1 1 266.473 3.619 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001172354701 1132184041 /nfs/dbraw/zinc/18/40/41/1132184041.db2.gz KFQBBXUKIACIQL-IXDOHACOSA-N 1 1 266.473 3.619 20 30 CHEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230514634 1132188678 /nfs/dbraw/zinc/18/86/78/1132188678.db2.gz ADLOPPUOLKKJQM-FFSVYQOJSA-N 1 1 285.391 3.905 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H]1C ZINC001172364203 1132190691 /nfs/dbraw/zinc/19/06/91/1132190691.db2.gz AGOQLYPUSJWSJZ-LBTNJELSSA-N 1 1 268.404 3.741 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141585868 1132191596 /nfs/dbraw/zinc/19/15/96/1132191596.db2.gz HWUXMLSLWLZBMS-UHFFFAOYSA-N 1 1 275.783 3.947 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141585868 1132191598 /nfs/dbraw/zinc/19/15/98/1132191598.db2.gz HWUXMLSLWLZBMS-UHFFFAOYSA-N 1 1 275.783 3.947 20 30 CHEDMO Cc1ccc(N2CC[N@H+]([C@H](C)CCC#N)[C@@H](C)C2)cc1C ZINC000839504604 1132219246 /nfs/dbraw/zinc/21/92/46/1132219246.db2.gz LUZLBMDYGQKRSI-SJORKVTESA-N 1 1 285.435 3.506 20 30 CHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](CC)CC(C)C)C2 ZINC001172397613 1132219473 /nfs/dbraw/zinc/21/94/73/1132219473.db2.gz LOSBTLBONZLHGD-SQNIBIBYSA-N 1 1 295.467 3.637 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000839531657 1132222150 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C[C@]1(C#N)CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566927 1132271690 /nfs/dbraw/zinc/27/16/90/1132271690.db2.gz ALMPDEGMZGEOPV-IXDOHACOSA-N 1 1 254.377 3.558 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172618057 1132284591 /nfs/dbraw/zinc/28/45/91/1132284591.db2.gz QCIMSLAYNCGOEX-CABCVRRESA-N 1 1 269.429 3.620 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cccc(C(=O)OC)n1 ZINC001231425024 1132292695 /nfs/dbraw/zinc/29/26/95/1132292695.db2.gz BUALMXVWXUOWGL-UHFFFAOYSA-N 1 1 292.423 3.661 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172718016 1132293658 /nfs/dbraw/zinc/29/36/58/1132293658.db2.gz JALVJIFFYDDDTF-SFHVURJKSA-N 1 1 296.801 3.811 20 30 CHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172720804 1132296555 /nfs/dbraw/zinc/29/65/55/1132296555.db2.gz XUZLGYNKLHPKNJ-QGZVFWFLSA-N 1 1 288.822 3.965 20 30 CHEDMO O=C1C=C2C[N@@H+](C3CCC4(CCCC4)CC3)CCC2S1 ZINC001172726786 1132298999 /nfs/dbraw/zinc/29/89/99/1132298999.db2.gz 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CC(C)COC[C@H]([NH2+]CCC(C)(C)C#N)c1ccco1 ZINC000273495679 263017433 /nfs/dbraw/zinc/01/74/33/263017433.db2.gz LOJFJOVOSRTBEG-AWEZNQCLSA-N 1 1 278.396 3.523 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278746281 263050431 /nfs/dbraw/zinc/05/04/31/263050431.db2.gz WTNOYPLTEWAVBF-JSGCOSHPSA-N 1 1 293.208 3.573 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279980014 263058478 /nfs/dbraw/zinc/05/84/78/263058478.db2.gz QZMIUAFMMARGMX-LBPRGKRZSA-N 1 1 299.340 3.553 20 30 CHEDMO CCOc1ccc([C@H]([NH2+]CCC#N)C(C)C)cc1OCC ZINC000281240649 263067543 /nfs/dbraw/zinc/06/75/43/263067543.db2.gz FKOHOZZFXRBBJW-QGZVFWFLSA-N 1 1 290.407 3.684 20 30 CHEDMO N#CC1(CCC[N@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000281882333 263072718 /nfs/dbraw/zinc/07/27/18/263072718.db2.gz DCXOBHKDUOXYTQ-SFHVURJKSA-N 1 1 298.430 3.576 20 30 CHEDMO N#CCC[C@@H](C#N)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282542289 263077194 /nfs/dbraw/zinc/07/71/94/263077194.db2.gz 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ZINC000297832923 263210474 /nfs/dbraw/zinc/21/04/74/263210474.db2.gz JXVLYRWQDHVVCZ-VIFPVBQESA-N 1 1 287.226 3.635 20 30 CHEDMO CCOc1ccc(C2=CC[N@H+]([C@@H](C)CCC#N)CC2)cc1 ZINC000299692677 263252348 /nfs/dbraw/zinc/25/23/48/263252348.db2.gz NXUZMUCPJWOCPD-HNNXBMFYSA-N 1 1 284.403 3.867 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOCc1ccccc1 ZINC000187713785 263267170 /nfs/dbraw/zinc/26/71/70/263267170.db2.gz AWTRQJQTWNKHCC-INIZCTEOSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ncc(C)cn1)c1ccccc1 ZINC000341923840 263366753 /nfs/dbraw/zinc/36/67/53/263366753.db2.gz DLAGLANRURJZKU-INIZCTEOSA-N 1 1 267.376 3.582 20 30 CHEDMO COc1ccc(F)cc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365312 264211585 /nfs/dbraw/zinc/21/15/85/264211585.db2.gz KCRMUWCISUZJTH-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc(F)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365312 264211586 /nfs/dbraw/zinc/21/15/86/264211586.db2.gz KCRMUWCISUZJTH-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO CCc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425368397 264213133 /nfs/dbraw/zinc/21/31/33/264213133.db2.gz WOQMTDLDITUHPT-AWEZNQCLSA-N 1 1 279.387 3.709 20 30 CHEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC1(C#N)CC1 ZINC000343253843 264218198 /nfs/dbraw/zinc/21/81/98/264218198.db2.gz BDJKYLUCLSVWPV-LBPRGKRZSA-N 1 1 254.333 3.729 20 30 CHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC1(C#N)CC1 ZINC000343253843 264218199 /nfs/dbraw/zinc/21/81/99/264218199.db2.gz BDJKYLUCLSVWPV-LBPRGKRZSA-N 1 1 254.333 3.729 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2ccccn2)nc1 ZINC000425389568 264221854 /nfs/dbraw/zinc/22/18/54/264221854.db2.gz YWNNSNATLTZWGG-UHFFFAOYSA-N 1 1 267.376 3.542 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nc(C(F)F)no2)CCCC1(C)C ZINC000425469729 264343030 /nfs/dbraw/zinc/34/30/30/264343030.db2.gz FBVMDEBLLRNYRE-SNVBAGLBSA-N 1 1 285.338 3.574 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2nc(C(F)F)no2)CCCC1(C)C ZINC000425469729 264343033 /nfs/dbraw/zinc/34/30/33/264343033.db2.gz FBVMDEBLLRNYRE-SNVBAGLBSA-N 1 1 285.338 3.574 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nc(CC)cc(=O)[nH]1)c1ccccc1 ZINC000180038974 264390225 /nfs/dbraw/zinc/39/02/25/264390225.db2.gz LJIQRWBXRKRNJO-MRXNPFEDSA-N 1 1 297.402 3.542 20 30 CHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000282229709 264499725 /nfs/dbraw/zinc/49/97/25/264499725.db2.gz PHRBSHNICYPIHE-AWEZNQCLSA-N 1 1 276.424 3.588 20 30 CHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000287644379 264643605 /nfs/dbraw/zinc/64/36/05/264643605.db2.gz USYAOFJAXBHIKO-NUTKFTJISA-N 1 1 293.382 3.553 20 30 CHEDMO C=CCCC[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000519223149 265367968 /nfs/dbraw/zinc/36/79/68/265367968.db2.gz BHTKRCRUBFZWEE-KRWDZBQOSA-N 1 1 259.393 3.971 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000357745312 266354626 /nfs/dbraw/zinc/35/46/26/266354626.db2.gz OOYPFPSUSANPFA-GJZGRUSLSA-N 1 1 281.403 3.821 20 30 CHEDMO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2C#N)cn1 ZINC000360334579 266706778 /nfs/dbraw/zinc/70/67/78/266706778.db2.gz DALXEZSEBODXLY-UHFFFAOYSA-N 1 1 299.805 3.940 20 30 CHEDMO Cn1cc(C[N@@H+](C)Cc2ccc3ccccc3c2)cc1C#N ZINC000361492964 266834051 /nfs/dbraw/zinc/83/40/51/266834051.db2.gz OAGMQUOXJZJKAH-UHFFFAOYSA-N 1 1 289.382 3.682 20 30 CHEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000367868229 267123341 /nfs/dbraw/zinc/12/33/41/267123341.db2.gz DTDWXHQHWCPBIR-LLVKDONJSA-N 1 1 291.782 3.959 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000367868229 267123343 /nfs/dbraw/zinc/12/33/43/267123343.db2.gz DTDWXHQHWCPBIR-LLVKDONJSA-N 1 1 291.782 3.959 20 30 CHEDMO CC[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000370053285 267286978 /nfs/dbraw/zinc/28/69/78/267286978.db2.gz NEQIAMZZGAZREW-IEBWSBKVSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000370053285 267286979 /nfs/dbraw/zinc/28/69/79/267286979.db2.gz NEQIAMZZGAZREW-IEBWSBKVSA-N 1 1 297.446 3.616 20 30 CHEDMO CC(C)CCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000418141196 267361799 /nfs/dbraw/zinc/36/17/99/267361799.db2.gz KSFAZCXTBKBQIX-UHFFFAOYSA-N 1 1 286.419 3.895 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120105883 267381013 /nfs/dbraw/zinc/38/10/13/267381013.db2.gz REPAGTRAIPFMHM-LBPRGKRZSA-N 1 1 287.794 3.743 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000371391520 267398008 /nfs/dbraw/zinc/39/80/08/267398008.db2.gz BAPBBNMXVWPCJI-SFHVURJKSA-N 1 1 298.386 3.885 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000371391520 267398014 /nfs/dbraw/zinc/39/80/14/267398014.db2.gz BAPBBNMXVWPCJI-SFHVURJKSA-N 1 1 298.386 3.885 20 30 CHEDMO CCCCCCCCN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000373292535 267661217 /nfs/dbraw/zinc/66/12/17/267661217.db2.gz JOQUFEDTTUKFQL-QGZVFWFLSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000373292535 267661218 /nfs/dbraw/zinc/66/12/18/267661218.db2.gz JOQUFEDTTUKFQL-QGZVFWFLSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000373292535 267661222 /nfs/dbraw/zinc/66/12/22/267661222.db2.gz JOQUFEDTTUKFQL-QGZVFWFLSA-N 1 1 296.499 3.532 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334156862 533699637 /nfs/dbraw/zinc/69/96/37/533699637.db2.gz ZUQOPLCOWUGCJK-ACJLOTCBSA-N 1 1 295.361 3.675 20 30 CHEDMO CC1(C)CC[C@H]2C[C@H]([NH2+]CCC#N)c3cccc1c32 ZINC000580184640 327724104 /nfs/dbraw/zinc/72/41/04/327724104.db2.gz LYUBJLAKXKLBKE-WFASDCNBSA-N 1 1 254.377 3.790 20 30 CHEDMO COC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccco1 ZINC000184623491 327831422 /nfs/dbraw/zinc/83/14/22/327831422.db2.gz IUXLCTQCXUNSTH-INIZCTEOSA-N 1 1 298.386 3.558 20 30 CHEDMO CCCC[N@@H+](CCOCCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000339642824 328012370 /nfs/dbraw/zinc/01/23/70/328012370.db2.gz AMIWTNKJNGOUID-JKSUJKDBSA-N 1 1 266.429 3.597 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000534337019 328049267 /nfs/dbraw/zinc/04/92/67/328049267.db2.gz DMQWXXSRYVUPFS-UHFFFAOYSA-N 1 1 286.297 3.709 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000534337019 328049268 /nfs/dbraw/zinc/04/92/68/328049268.db2.gz DMQWXXSRYVUPFS-UHFFFAOYSA-N 1 1 286.297 3.709 20 30 CHEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cn2)c(C)c1 ZINC000565166467 328068989 /nfs/dbraw/zinc/06/89/89/328068989.db2.gz TVTBOBLLVOPBOB-OAHLLOKOSA-N 1 1 279.387 3.763 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000571176077 328089623 /nfs/dbraw/zinc/08/96/23/328089623.db2.gz QSFUVYFHMQNFHV-JKSUJKDBSA-N 1 1 258.409 3.924 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000571295017 328100263 /nfs/dbraw/zinc/10/02/63/328100263.db2.gz MLLSOLCMDFWWBQ-HNNXBMFYSA-N 1 1 272.392 3.596 20 30 CHEDMO CCc1ccc([C@@H]2CC[N@H+]([C@H](C)CCC#N)C2)cc1 ZINC000411760905 328099028 /nfs/dbraw/zinc/09/90/28/328099028.db2.gz TUOJGYCPGLLORM-RHSMWYFYSA-N 1 1 256.393 3.731 20 30 CHEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000266948998 328170740 /nfs/dbraw/zinc/17/07/40/328170740.db2.gz SXOKKIOUNHYMRO-DOTOQJQBSA-N 1 1 256.393 3.633 20 30 CHEDMO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272510926 328200140 /nfs/dbraw/zinc/20/01/40/328200140.db2.gz GDZQFIDDCARDBA-NSHDSACASA-N 1 1 264.319 3.651 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000571653268 328214159 /nfs/dbraw/zinc/21/41/59/328214159.db2.gz LYYCTGVZJVAHGD-GOSISDBHSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000571653268 328214161 /nfs/dbraw/zinc/21/41/61/328214161.db2.gz LYYCTGVZJVAHGD-GOSISDBHSA-N 1 1 295.361 3.820 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285513536 328248106 /nfs/dbraw/zinc/24/81/06/328248106.db2.gz YNHLWPZQNNYREU-OAHLLOKOSA-N 1 1 274.412 3.657 20 30 CHEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCCC#N ZINC000287341973 328250842 /nfs/dbraw/zinc/25/08/42/328250842.db2.gz LAHXEYFAHUQRTR-GFCCVEGCSA-N 1 1 284.325 3.872 20 30 CHEDMO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000366659096 328252878 /nfs/dbraw/zinc/25/28/78/328252878.db2.gz AHVHZNPZHAIFDU-KRWDZBQOSA-N 1 1 291.483 3.703 20 30 CHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccncc1F ZINC000340308582 328254366 /nfs/dbraw/zinc/25/43/66/328254366.db2.gz JAIPPZHAXJHHGM-SUMWQHHRSA-N 1 1 283.350 3.916 20 30 CHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCCC#N ZINC000293288396 328275229 /nfs/dbraw/zinc/27/52/29/328275229.db2.gz YTTBLRACZBAEQZ-QZTJIDSGSA-N 1 1 286.419 3.575 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)CCOc1cccc(C#N)c1 ZINC000534600812 328320447 /nfs/dbraw/zinc/32/04/47/328320447.db2.gz XSSOORPEPAYMQK-UHFFFAOYSA-N 1 1 294.398 3.502 20 30 CHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000396894723 329318391 /nfs/dbraw/zinc/31/83/91/329318391.db2.gz YQPQKZOAQZXEJX-OAHLLOKOSA-N 1 1 260.356 3.708 20 30 CHEDMO N#CC1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535083484 328385738 /nfs/dbraw/zinc/38/57/38/328385738.db2.gz UFLMJCHIVGMCRB-UHFFFAOYSA-N 1 1 289.448 3.926 20 30 CHEDMO CC[C@@](C)([NH2+]CC#Cc1ccccc1)c1nc(C)cs1 ZINC000192112452 328521079 /nfs/dbraw/zinc/52/10/79/328521079.db2.gz WTQDHYLTQPEOFJ-QGZVFWFLSA-N 1 1 284.428 3.718 20 30 CHEDMO CC(C)(C#N)CC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000557965982 327037800 /nfs/dbraw/zinc/03/78/00/327037800.db2.gz IEPVLQWNJZZFSE-UHFFFAOYSA-N 1 1 274.383 3.772 20 30 CHEDMO C=CCC[N@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000558831905 327123898 /nfs/dbraw/zinc/12/38/98/327123898.db2.gz VJBUXXDIONPDQK-UONOGXRCSA-N 1 1 281.827 3.530 20 30 CHEDMO C=CCOCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000559049363 327139362 /nfs/dbraw/zinc/13/93/62/327139362.db2.gz INBUTHUQGFAUHZ-LBPRGKRZSA-N 1 1 253.773 3.535 20 30 CHEDMO C=CCOCC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000559242638 327149362 /nfs/dbraw/zinc/14/93/62/327149362.db2.gz AIUFXKYHUJKAEG-DOTOQJQBSA-N 1 1 259.393 3.662 20 30 CHEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000569468998 327182382 /nfs/dbraw/zinc/18/23/82/327182382.db2.gz KZKDJKAUXCVUIJ-QWHCGFSZSA-N 1 1 295.361 3.600 20 30 CHEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000569468998 327182384 /nfs/dbraw/zinc/18/23/84/327182384.db2.gz KZKDJKAUXCVUIJ-QWHCGFSZSA-N 1 1 295.361 3.600 20 30 CHEDMO C[N@@H+](CCCOc1ccccc1)CC(C)(C)CCC#N ZINC000091899607 327187211 /nfs/dbraw/zinc/18/72/11/327187211.db2.gz NUGLMWUOMBVLMG-UHFFFAOYSA-N 1 1 274.408 3.717 20 30 CHEDMO COc1cccc2c(C[N@@H+](CCC#N)C(C)C)cccc12 ZINC000584272331 327205789 /nfs/dbraw/zinc/20/57/89/327205789.db2.gz BQSJELMZICCCQV-UHFFFAOYSA-N 1 1 282.387 3.972 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569609041 327209776 /nfs/dbraw/zinc/20/97/76/327209776.db2.gz RYLVKRCSSIQBHU-IVMMDQJWSA-N 1 1 299.374 3.619 20 30 CHEDMO C=CC[N@H+](CCCCCF)Cc1ccccc1F ZINC000560154915 327287095 /nfs/dbraw/zinc/28/70/95/327287095.db2.gz QNNAQCYPLAXJFY-UHFFFAOYSA-N 1 1 253.336 3.954 20 30 CHEDMO CC[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000560511322 327316921 /nfs/dbraw/zinc/31/69/21/327316921.db2.gz NQWLUGLQCNBZNT-ZDUSSCGKSA-N 1 1 280.799 3.590 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H](CC)C2)cc1 ZINC000560559701 327325140 /nfs/dbraw/zinc/32/51/40/327325140.db2.gz UHMDHOUOTURKAQ-INIZCTEOSA-N 1 1 277.433 3.579 20 30 CHEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)C#N ZINC000123647759 327376849 /nfs/dbraw/zinc/37/68/49/327376849.db2.gz XDDKHRJVBMXJPL-KGLIPLIRSA-N 1 1 257.381 3.698 20 30 CHEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)C#N ZINC000123647759 327376851 /nfs/dbraw/zinc/37/68/51/327376851.db2.gz XDDKHRJVBMXJPL-KGLIPLIRSA-N 1 1 257.381 3.698 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000150874871 327394406 /nfs/dbraw/zinc/39/44/06/327394406.db2.gz OZJDNXMJWHCEGS-MRXNPFEDSA-N 1 1 290.313 3.916 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377641773 329022748 /nfs/dbraw/zinc/02/27/48/329022748.db2.gz AVLZOACWJZNPSJ-IBGZPJMESA-N 1 1 298.430 3.786 20 30 CHEDMO C=C(C)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000378148621 329041479 /nfs/dbraw/zinc/04/14/79/329041479.db2.gz YIDWOXNNFXQARY-AWEZNQCLSA-N 1 1 256.349 3.931 20 30 CHEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1C ZINC000193687522 329060789 /nfs/dbraw/zinc/06/07/89/329060789.db2.gz MKJZMCFAIIPMLS-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO CCCO[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000174853439 329163909 /nfs/dbraw/zinc/16/39/09/329163909.db2.gz GLXJGCFYYGYYKY-HNNXBMFYSA-N 1 1 266.429 3.597 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cnc(C)s2)c1 ZINC000179381769 329207179 /nfs/dbraw/zinc/20/71/79/329207179.db2.gz KFFFUOILQPZOQW-UHFFFAOYSA-N 1 1 288.416 3.648 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000179381769 329207180 /nfs/dbraw/zinc/20/71/80/329207180.db2.gz KFFFUOILQPZOQW-UHFFFAOYSA-N 1 1 288.416 3.648 20 30 CHEDMO C=CCc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc(OC)c1O ZINC000430880215 329233152 /nfs/dbraw/zinc/23/31/52/329233152.db2.gz WJNCPCKHIPUNBR-CYBMUJFWSA-N 1 1 287.403 3.527 20 30 CHEDMO Cc1[nH+]c2c(n1CC#Cc1ccc(Cl)cc1)CCCC2 ZINC000582857547 329281591 /nfs/dbraw/zinc/28/15/91/329281591.db2.gz UMWPAYNEAMPXHL-UHFFFAOYSA-N 1 1 284.790 3.775 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H]2CC(C)C)cc1C#N ZINC000396871805 329318512 /nfs/dbraw/zinc/31/85/12/329318512.db2.gz OMCBCVKXJXCGRR-INIZCTEOSA-N 1 1 272.392 3.577 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000187365450 329355900 /nfs/dbraw/zinc/35/59/00/329355900.db2.gz NVMWUDKPNGCQRP-UHFFFAOYSA-N 1 1 282.387 3.765 20 30 CHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187399085 329357142 /nfs/dbraw/zinc/35/71/42/329357142.db2.gz RQVTUANWXOTLLU-AWEZNQCLSA-N 1 1 282.840 3.785 20 30 CHEDMO N#Cc1csc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000187678028 329362087 /nfs/dbraw/zinc/36/20/87/329362087.db2.gz UEKMEBBOXASVID-UHFFFAOYSA-N 1 1 280.396 3.667 20 30 CHEDMO N#Cc1csc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000187678028 329362089 /nfs/dbraw/zinc/36/20/89/329362089.db2.gz UEKMEBBOXASVID-UHFFFAOYSA-N 1 1 280.396 3.667 20 30 CHEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(C)(C)CCC#N ZINC000187993979 329364760 /nfs/dbraw/zinc/36/47/60/329364760.db2.gz DPTCIBYQESPJLG-QGZVFWFLSA-N 1 1 288.435 3.506 20 30 CHEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1F ZINC000192158114 329429971 /nfs/dbraw/zinc/42/99/71/329429971.db2.gz PGXWIKYYFRATCH-UHFFFAOYSA-N 1 1 284.309 3.615 20 30 CHEDMO CC(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000571875708 329925756 /nfs/dbraw/zinc/92/57/56/329925756.db2.gz WLGSARCILLUTMC-BLLLJJGKSA-N 1 1 291.345 3.695 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)ccc1SC ZINC000429684292 330057961 /nfs/dbraw/zinc/05/79/61/330057961.db2.gz JYOGMMOXXJIYKW-OCCSQVGLSA-N 1 1 290.432 3.541 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1nnc(C)s1)c1ccccc1 ZINC000271739027 330081940 /nfs/dbraw/zinc/08/19/40/330081940.db2.gz PCAVUJCJAZVAIY-AWEZNQCLSA-N 1 1 273.405 3.644 20 30 CHEDMO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000421895974 330104900 /nfs/dbraw/zinc/10/49/00/330104900.db2.gz YZFRTCZSRDSHIU-JTQLQIEISA-N 1 1 260.362 3.626 20 30 CHEDMO C=C(C)CC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000274824291 330108044 /nfs/dbraw/zinc/10/80/44/330108044.db2.gz ZCDKQGYEJGHIJU-UHFFFAOYSA-N 1 1 274.408 3.530 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000274820626 330108084 /nfs/dbraw/zinc/10/80/84/330108084.db2.gz YDCSMBQJNBUHFV-ZIAGYGMSSA-N 1 1 265.422 3.602 20 30 CHEDMO C=CCC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000276175861 330112373 /nfs/dbraw/zinc/11/23/73/330112373.db2.gz UCPPNTLKIMALHA-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=CCC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000276425454 330113822 /nfs/dbraw/zinc/11/38/22/330113822.db2.gz MZDUIVNMUHMZNY-UHFFFAOYSA-N 1 1 284.281 3.855 20 30 CHEDMO C=CCC[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000276504993 330114381 /nfs/dbraw/zinc/11/43/81/330114381.db2.gz WQQMPLNOZMKXNW-UHFFFAOYSA-N 1 1 288.416 3.730 20 30 CHEDMO C=CCC[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000276504993 330114382 /nfs/dbraw/zinc/11/43/82/330114382.db2.gz WQQMPLNOZMKXNW-UHFFFAOYSA-N 1 1 288.416 3.730 20 30 CHEDMO C=CCC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccco1 ZINC000278955965 330121015 /nfs/dbraw/zinc/12/10/15/330121015.db2.gz NJZAFVCAUTWXAR-IUODEOHRSA-N 1 1 273.380 3.539 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(F)c1 ZINC000217728331 330138562 /nfs/dbraw/zinc/13/85/62/330138562.db2.gz PYTZUEYTHRZMAS-RHSMWYFYSA-N 1 1 272.367 3.852 20 30 CHEDMO CC[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423270072 330190813 /nfs/dbraw/zinc/19/08/13/330190813.db2.gz WMBQUPHOHJKSJN-QZTJIDSGSA-N 1 1 285.435 3.507 20 30 CHEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000325636185 330232743 /nfs/dbraw/zinc/23/27/43/330232743.db2.gz YRZOHBQPZSVYHO-NSHDSACASA-N 1 1 262.784 3.832 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(F)F)cc2)CC1 ZINC000527517844 330256868 /nfs/dbraw/zinc/25/68/68/330256868.db2.gz BNPJGXHFMLAMGX-UHFFFAOYSA-N 1 1 294.389 3.754 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccnc(C)c1 ZINC000527541065 330261391 /nfs/dbraw/zinc/26/13/91/330261391.db2.gz YWQRVGYAIIWNQN-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000527774443 330282420 /nfs/dbraw/zinc/28/24/20/330282420.db2.gz VVZJTDBAQVXFFQ-SFHVURJKSA-N 1 1 295.361 3.723 20 30 CHEDMO C/C(Cl)=C\C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000528360648 330322237 /nfs/dbraw/zinc/32/22/37/330322237.db2.gz PMHFUOIJWKSSAA-XYOKQWHBSA-N 1 1 260.768 3.665 20 30 CHEDMO C/C(Cl)=C\C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000528360648 330322238 /nfs/dbraw/zinc/32/22/38/330322238.db2.gz PMHFUOIJWKSSAA-XYOKQWHBSA-N 1 1 260.768 3.665 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000044352423 330329291 /nfs/dbraw/zinc/32/92/91/330329291.db2.gz HEWOCIGSUUAPTO-KRWDZBQOSA-N 1 1 254.377 3.713 20 30 CHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000044352380 330329309 /nfs/dbraw/zinc/32/93/09/330329309.db2.gz BIGMQFOPGSHOLV-SFHVURJKSA-N 1 1 284.403 3.592 20 30 CHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000533086806 330332387 /nfs/dbraw/zinc/33/23/87/330332387.db2.gz WQKSQGDGDLSSFL-MRXNPFEDSA-N 1 1 256.393 3.959 20 30 CHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000533086459 330333039 /nfs/dbraw/zinc/33/30/39/330333039.db2.gz GUOSYMBWDWLVDY-MRXNPFEDSA-N 1 1 256.393 3.959 20 30 CHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)nn1 ZINC000424296528 330336123 /nfs/dbraw/zinc/33/61/23/330336123.db2.gz OYCMWCDDHCQVRF-HNNXBMFYSA-N 1 1 298.434 3.513 20 30 CHEDMO C[C@@H](C#N)C[N@H+](CCCOc1cccc(Cl)c1)C1CC1 ZINC000533139810 330350486 /nfs/dbraw/zinc/35/04/86/330350486.db2.gz TZOATOXVYCJEAO-ZDUSSCGKSA-N 1 1 292.810 3.733 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CCCOc1cccc(Cl)c1)C1CC1 ZINC000533139810 330350487 /nfs/dbraw/zinc/35/04/87/330350487.db2.gz TZOATOXVYCJEAO-ZDUSSCGKSA-N 1 1 292.810 3.733 20 30 CHEDMO C=C(CC)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000536904698 330363662 /nfs/dbraw/zinc/36/36/62/330363662.db2.gz KPWYYECQCVMWTB-OAHLLOKOSA-N 1 1 274.408 3.692 20 30 CHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000538514740 330367815 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ZINC000451022143 331012167 /nfs/dbraw/zinc/01/21/67/331012167.db2.gz AHABNSSXHYUPMG-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000451188930 331019624 /nfs/dbraw/zinc/01/96/24/331019624.db2.gz DYEMFMITRVTRCE-KRWDZBQOSA-N 1 1 280.346 3.769 20 30 CHEDMO N#CCCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451573864 331035069 /nfs/dbraw/zinc/03/50/69/331035069.db2.gz VAWQYEYESWOAPL-CYBMUJFWSA-N 1 1 293.208 3.542 20 30 CHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451739915 331040734 /nfs/dbraw/zinc/04/07/34/331040734.db2.gz YRLCADFOXJJSIT-MRXNPFEDSA-N 1 1 292.810 3.797 20 30 CHEDMO C=CCOCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878660 331045958 /nfs/dbraw/zinc/04/59/58/331045958.db2.gz NLKZRLPJQOWYPD-KRWDZBQOSA-N 1 1 299.418 3.683 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451960562 331048431 /nfs/dbraw/zinc/04/84/31/331048431.db2.gz CCZSXKZXZQHMBJ-RHSMWYFYSA-N 1 1 286.444 3.838 20 30 CHEDMO C=C(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453330472 331117709 /nfs/dbraw/zinc/11/77/09/331117709.db2.gz YZYXQTNMLUPECM-LDLYASANSA-N 1 1 284.447 3.738 20 30 CHEDMO C=C(CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453384281 331126325 /nfs/dbraw/zinc/12/63/25/331126325.db2.gz ZNGFNWVZVSZKKV-REPLKXPHSA-N 1 1 284.447 3.738 20 30 CHEDMO C=CCC[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000467393281 331236721 /nfs/dbraw/zinc/23/67/21/331236721.db2.gz ZLCZQQUKVRHSKP-UHFFFAOYSA-N 1 1 264.419 3.880 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1Cc2sccc2CC1(C)C ZINC000459578454 331289073 /nfs/dbraw/zinc/28/90/73/331289073.db2.gz IGHIVEBWMZFEOR-UHFFFAOYSA-N 1 1 262.422 3.825 20 30 CHEDMO C=C(CC)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671286 331293402 /nfs/dbraw/zinc/29/34/02/331293402.db2.gz WHZSCUQXZHIGIW-CYBMUJFWSA-N 1 1 291.357 3.634 20 30 CHEDMO C[C@@H](C[N@@H+](C)CCCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459830147 331302279 /nfs/dbraw/zinc/30/22/79/331302279.db2.gz 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Cc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)ccc1C#N ZINC000489044107 332039077 /nfs/dbraw/zinc/03/90/77/332039077.db2.gz PKTQKFYUWQQLDM-CYBMUJFWSA-N 1 1 282.309 3.641 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000489444909 332053070 /nfs/dbraw/zinc/05/30/70/332053070.db2.gz XOPFZUINIQVFHG-MRXNPFEDSA-N 1 1 286.419 3.591 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000489444909 332053072 /nfs/dbraw/zinc/05/30/72/332053072.db2.gz XOPFZUINIQVFHG-MRXNPFEDSA-N 1 1 286.419 3.591 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000489488264 332056016 /nfs/dbraw/zinc/05/60/16/332056016.db2.gz KUFRVVSGPLMVSH-CQSZACIVSA-N 1 1 267.413 3.539 20 30 CHEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490060133 332079184 /nfs/dbraw/zinc/07/91/84/332079184.db2.gz UYIIDBNSQZNLAI-QMMMGPOBSA-N 1 1 264.316 3.779 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCC)cc1 ZINC000491342566 332193882 /nfs/dbraw/zinc/19/38/82/332193882.db2.gz JRKADLZYTSSTFS-UHFFFAOYSA-N 1 1 285.387 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ZINC000193528952 333252139 /nfs/dbraw/zinc/25/21/39/333252139.db2.gz NDKYOTQFEUJMLS-ZDUSSCGKSA-N 1 1 268.360 3.582 20 30 CHEDMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)CC#N)ccc2c1 ZINC000193528952 333252141 /nfs/dbraw/zinc/25/21/41/333252141.db2.gz NDKYOTQFEUJMLS-ZDUSSCGKSA-N 1 1 268.360 3.582 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)cs1)Cc1cccc(C#N)c1 ZINC000194328525 333269210 /nfs/dbraw/zinc/26/92/10/333269210.db2.gz DRLRLVUPQXTESD-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)cc1 ZINC000522382422 333285517 /nfs/dbraw/zinc/28/55/17/333285517.db2.gz WDCKKMWPMZQRFE-KRWDZBQOSA-N 1 1 271.408 3.625 20 30 CHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000229413825 333304682 /nfs/dbraw/zinc/30/46/82/333304682.db2.gz XSNJJZJFPYZTRI-FRRDWIJNSA-N 1 1 260.356 3.564 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCc3ccccc3C2)ccc1F ZINC000229750047 333309249 /nfs/dbraw/zinc/30/92/49/333309249.db2.gz WBZGRSXUJMTNGQ-UHFFFAOYSA-N 1 1 280.346 3.646 20 30 CHEDMO C[C@H](CNc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000303542295 333343768 /nfs/dbraw/zinc/34/37/68/333343768.db2.gz YRUIAEPCXSQWQD-QWHCGFSZSA-N 1 1 291.826 3.744 20 30 CHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCCCC(C)(C)C#N ZINC000235227109 333367187 /nfs/dbraw/zinc/36/71/87/333367187.db2.gz JXMLYALMIIPCJG-CVEARBPZSA-N 1 1 280.456 3.722 20 30 CHEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000314890549 333382099 /nfs/dbraw/zinc/38/20/99/333382099.db2.gz HSSWXKQYGDQUJL-LLVKDONJSA-N 1 1 299.340 3.718 20 30 CHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000524811670 333389090 /nfs/dbraw/zinc/38/90/90/333389090.db2.gz GAJXYLHZDFPTCB-WMLDXEAASA-N 1 1 256.393 3.959 20 30 CHEDMO C=CCC[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000525121975 333399750 /nfs/dbraw/zinc/39/97/50/333399750.db2.gz NNICWJPENRTOJG-UHFFFAOYSA-N 1 1 298.224 3.726 20 30 CHEDMO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CO2 ZINC000541904360 333798187 /nfs/dbraw/zinc/79/81/87/333798187.db2.gz 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CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932838 521299887 /nfs/dbraw/zinc/29/98/87/521299887.db2.gz PNRBREWOHGGOQS-AWEZNQCLSA-N 1 1 280.371 3.847 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000276370343 521314577 /nfs/dbraw/zinc/31/45/77/521314577.db2.gz OFLAEZOSAGBNJZ-CYBMUJFWSA-N 1 1 283.350 3.675 20 30 CHEDMO CC[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833110 522632132 /nfs/dbraw/zinc/63/21/32/522632132.db2.gz UFUJGPUGRXJIHX-MJGOQNOKSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833110 522632138 /nfs/dbraw/zinc/63/21/38/522632138.db2.gz UFUJGPUGRXJIHX-MJGOQNOKSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H]([NH2+][C@H](COC)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278383196 522747561 /nfs/dbraw/zinc/74/75/61/522747561.db2.gz DFSJSRCRIOMCKC-DLBZAZTESA-N 1 1 298.386 3.888 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)CC12CCC2 ZINC000357018704 524514945 /nfs/dbraw/zinc/51/49/45/524514945.db2.gz 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526377195 /nfs/dbraw/zinc/37/71/95/526377195.db2.gz WEAGCJJFFIDHBW-KBPBESRZSA-N 1 1 265.422 3.551 20 30 CHEDMO C=C(C)CC[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000352048620 526438151 /nfs/dbraw/zinc/43/81/51/526438151.db2.gz MILPESKUDVPMGR-GFCCVEGCSA-N 1 1 268.426 3.639 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000352048620 526438157 /nfs/dbraw/zinc/43/81/57/526438157.db2.gz MILPESKUDVPMGR-GFCCVEGCSA-N 1 1 268.426 3.639 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000352096368 526444384 /nfs/dbraw/zinc/44/43/84/526444384.db2.gz FDARICJLQYXIDO-HNNXBMFYSA-N 1 1 275.392 3.807 20 30 CHEDMO C=CC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347719528 526456167 /nfs/dbraw/zinc/45/61/67/526456167.db2.gz NFYRVWXHBWWTCZ-ZDUSSCGKSA-N 1 1 261.756 3.539 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347719528 526456175 /nfs/dbraw/zinc/45/61/75/526456175.db2.gz NFYRVWXHBWWTCZ-ZDUSSCGKSA-N 1 1 261.756 3.539 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000351061628 526506592 /nfs/dbraw/zinc/50/65/92/526506592.db2.gz HCYRUUYEKBGSMI-WBVHZDCISA-N 1 1 288.435 3.540 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)o1 ZINC000157012084 526611687 /nfs/dbraw/zinc/61/16/87/526611687.db2.gz BWKHOAIBCOKXBG-QGZVFWFLSA-N 1 1 281.359 3.664 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CCC23CCC3)ccc1OC ZINC000353667694 526660438 /nfs/dbraw/zinc/66/04/38/526660438.db2.gz DMYMIQOJVMPPQD-UHFFFAOYSA-N 1 1 287.403 3.779 20 30 CHEDMO C=CCOCCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000347968980 526748056 /nfs/dbraw/zinc/74/80/56/526748056.db2.gz SHMMPUDJWVZFCY-OAHLLOKOSA-N 1 1 272.392 3.534 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000347958908 526754337 /nfs/dbraw/zinc/75/43/37/526754337.db2.gz DCBSTLDOEXBDGE-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000353679408 526864689 /nfs/dbraw/zinc/86/46/89/526864689.db2.gz GTORATMTADQOHJ-UHFFFAOYSA-N 1 1 257.377 3.627 20 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293.414 3.969 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H]1CCCCO1 ZINC000347449548 528750437 /nfs/dbraw/zinc/75/04/37/528750437.db2.gz WZANCBQYKOZORN-MRXNPFEDSA-N 1 1 266.429 3.597 20 30 CHEDMO CC[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@@H](C)C#N ZINC000352091318 528766660 /nfs/dbraw/zinc/76/66/60/528766660.db2.gz JDRBKUAHTTUWNO-LBPRGKRZSA-N 1 1 287.794 3.870 20 30 CHEDMO CC[N@H+](Cc1cc(Cl)cc2cccnc21)C[C@@H](C)C#N ZINC000352091318 528766665 /nfs/dbraw/zinc/76/66/65/528766665.db2.gz JDRBKUAHTTUWNO-LBPRGKRZSA-N 1 1 287.794 3.870 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356060655 528770839 /nfs/dbraw/zinc/77/08/39/528770839.db2.gz RNVDKNHPSYVIPX-UHFFFAOYSA-N 1 1 268.282 3.561 20 30 CHEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000353569367 528829942 /nfs/dbraw/zinc/82/99/42/528829942.db2.gz CCUKLKWHYWEDIL-BEFAXECRSA-N 1 1 299.462 3.644 20 30 CHEDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000353569367 528829949 /nfs/dbraw/zinc/82/99/49/528829949.db2.gz 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IZFLNXSZZRLCJV-OAHLLOKOSA-N 1 1 274.408 3.692 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000066560081 1125623833 /nfs/dbraw/zinc/62/38/33/1125623833.db2.gz ALRVPSZJUNUICB-CYBMUJFWSA-N 1 1 271.364 3.696 20 30 CHEDMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@H]1c1ccccc1 ZINC000247047227 1125653146 /nfs/dbraw/zinc/65/31/46/1125653146.db2.gz VPRITBLRRWQEJQ-SOLBZPMBSA-N 1 1 281.403 3.556 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000886355792 1125673199 /nfs/dbraw/zinc/67/31/99/1125673199.db2.gz NVMACUMIAAARLE-INIZCTEOSA-N 1 1 296.439 3.579 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000614963537 1125700404 /nfs/dbraw/zinc/70/04/04/1125700404.db2.gz HKQXARRCGPGTRU-YJBOKZPZSA-N 1 1 291.398 3.579 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000161888406 1125714977 /nfs/dbraw/zinc/71/49/77/1125714977.db2.gz UVQOGSTYPXHAON-HNNXBMFYSA-N 1 1 289.382 3.959 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000161888406 1125714982 /nfs/dbraw/zinc/71/49/82/1125714982.db2.gz UVQOGSTYPXHAON-HNNXBMFYSA-N 1 1 289.382 3.959 20 30 CHEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCCC#N ZINC000084131599 1125727089 /nfs/dbraw/zinc/72/70/89/1125727089.db2.gz DGCRUNIKNMKTAX-QGZVFWFLSA-N 1 1 296.418 3.887 20 30 CHEDMO C=CC[N@@H+](Cc1scnc1C)Cc1cccc(C#N)c1 ZINC000092504578 1125758936 /nfs/dbraw/zinc/75/89/36/1125758936.db2.gz HDVZGKRZRLXTGV-UHFFFAOYSA-N 1 1 283.400 3.511 20 30 CHEDMO C=CC[N@H+](Cc1scnc1C)Cc1cccc(C#N)c1 ZINC000092504578 1125758941 /nfs/dbraw/zinc/75/89/41/1125758941.db2.gz HDVZGKRZRLXTGV-UHFFFAOYSA-N 1 1 283.400 3.511 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1F ZINC000192195519 1125761251 /nfs/dbraw/zinc/76/12/51/1125761251.db2.gz ISZAAAXKYOAZQV-UHFFFAOYSA-N 1 1 292.357 3.745 20 30 CHEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1F ZINC000192195519 1125761254 /nfs/dbraw/zinc/76/12/54/1125761254.db2.gz ISZAAAXKYOAZQV-UHFFFAOYSA-N 1 1 292.357 3.745 20 30 CHEDMO COc1ccc([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000092783709 1125762809 /nfs/dbraw/zinc/76/28/09/1125762809.db2.gz UULUURJLBXJJKF-INIZCTEOSA-N 1 1 286.419 3.814 20 30 CHEDMO N#CCC[N@H+](Cc1cccc(-c2cccnc2)c1)CC1CC1 ZINC000093091372 1125763769 /nfs/dbraw/zinc/76/37/69/1125763769.db2.gz LLUYJXLUDCNPQD-UHFFFAOYSA-N 1 1 291.398 3.874 20 30 CHEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)CC(C)(C)CCC#N ZINC000093336163 1125767492 /nfs/dbraw/zinc/76/74/92/1125767492.db2.gz RRRHZOFFCCYQLL-UHFFFAOYSA-N 1 1 291.464 3.784 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCc2cccc(F)c2C1 ZINC000093454347 1125769485 /nfs/dbraw/zinc/76/94/85/1125769485.db2.gz FVKKZVBXNAHVGJ-UHFFFAOYSA-N 1 1 260.356 3.514 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCSCC2)cc1Cl ZINC000508680836 1125773092 /nfs/dbraw/zinc/77/30/92/1125773092.db2.gz UEBQCAHTRWCCRN-UHFFFAOYSA-N 1 1 297.851 3.844 20 30 CHEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCCC#N)s1 ZINC000122077206 1125783866 /nfs/dbraw/zinc/78/38/66/1125783866.db2.gz FAFQRGMPYFXLPR-LBPRGKRZSA-N 1 1 265.426 3.701 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ccccc1Br ZINC000508757383 1125788969 /nfs/dbraw/zinc/78/89/69/1125788969.db2.gz DMEQJBFQKLOIJV-UHFFFAOYSA-N 1 1 268.198 3.847 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccccc1Br ZINC000508757383 1125788975 /nfs/dbraw/zinc/78/89/75/1125788975.db2.gz DMEQJBFQKLOIJV-UHFFFAOYSA-N 1 1 268.198 3.847 20 30 CHEDMO CCCCCCCC[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC000740878069 1129423329 /nfs/dbraw/zinc/42/33/29/1129423329.db2.gz UDMHHBZZDILSDI-UHFFFAOYSA-N 1 1 278.444 3.578 20 30 CHEDMO CCCCCCCC[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC000740878069 1129423330 /nfs/dbraw/zinc/42/33/30/1129423330.db2.gz UDMHHBZZDILSDI-UHFFFAOYSA-N 1 1 278.444 3.578 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000745261467 1129601657 /nfs/dbraw/zinc/60/16/57/1129601657.db2.gz WJCNKKJCADRANM-CQSZACIVSA-N 1 1 295.213 3.740 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000745261467 1129601659 /nfs/dbraw/zinc/60/16/59/1129601659.db2.gz WJCNKKJCADRANM-CQSZACIVSA-N 1 1 295.213 3.740 20 30 CHEDMO CC(=[NH+]NCC(C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000771568090 1129984813 /nfs/dbraw/zinc/98/48/13/1129984813.db2.gz WEOKAOFGWFKQCI-UHFFFAOYSA-N 1 1 274.195 3.545 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(C(F)(F)F)c1O ZINC000903102204 1130112389 /nfs/dbraw/zinc/11/23/89/1130112389.db2.gz UJNXMBGIUVPVIN-SECBINFHSA-N 1 1 286.297 3.611 20 30 CHEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1sccc1Cl ZINC000903108608 1130114207 /nfs/dbraw/zinc/11/42/07/1130114207.db2.gz FFXNMSHZHPZWIN-JTQLQIEISA-N 1 1 254.786 3.746 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787309666 1130147110 /nfs/dbraw/zinc/14/71/10/1130147110.db2.gz KZYBSPLEMDNCOJ-GFCCVEGCSA-N 1 1 280.755 3.789 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789309532 1130242433 /nfs/dbraw/zinc/24/24/33/1130242433.db2.gz FKBDZFOTWIYSIG-UHFFFAOYSA-N 1 1 253.748 3.700 20 30 CHEDMO N#Cc1ccc(Cn2cc[nH+]c2C2CC2)c(C(F)(F)F)c1 ZINC000600610401 1126723426 /nfs/dbraw/zinc/72/34/26/1126723426.db2.gz GTAZONMZJCFDLW-UHFFFAOYSA-N 1 1 291.276 3.699 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(C[C@@H]2CCCO2)no1 ZINC000899998709 1126722095 /nfs/dbraw/zinc/72/20/95/1126722095.db2.gz SZZIROHUOVMEAZ-UONOGXRCSA-N 1 1 295.427 3.542 20 30 CHEDMO CCCc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000481989493 1126738313 /nfs/dbraw/zinc/73/83/13/1126738313.db2.gz IPZVCFHMFRNNHC-AWEZNQCLSA-N 1 1 256.393 3.763 20 30 CHEDMO CCCc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000481989493 1126738316 /nfs/dbraw/zinc/73/83/16/1126738316.db2.gz IPZVCFHMFRNNHC-AWEZNQCLSA-N 1 1 256.393 3.763 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000338395743 1126739609 /nfs/dbraw/zinc/73/96/09/1126739609.db2.gz WVAIHELKCLROCB-HNNXBMFYSA-N 1 1 267.376 3.575 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000159919691 1126758260 /nfs/dbraw/zinc/75/82/60/1126758260.db2.gz QVWHBZRCHJVPKL-MRXNPFEDSA-N 1 1 271.408 3.857 20 30 CHEDMO C=CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918394 1126758524 /nfs/dbraw/zinc/75/85/24/1126758524.db2.gz DYTNBFTXJBUUQA-QRVBRYPASA-N 1 1 284.447 3.910 20 30 CHEDMO C=CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918394 1126758526 /nfs/dbraw/zinc/75/85/26/1126758526.db2.gz DYTNBFTXJBUUQA-QRVBRYPASA-N 1 1 284.447 3.910 20 30 CHEDMO Cc1cc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C#N)cc2c(C)c1 ZINC000482514039 1126763122 /nfs/dbraw/zinc/76/31/22/1126763122.db2.gz SFKJHTKEGBZNLG-BBRMVZONSA-N 1 1 267.376 3.567 20 30 CHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCC(C)(C)C#N ZINC000174843486 1126773475 /nfs/dbraw/zinc/77/34/75/1126773475.db2.gz ODMSURBGIOYIIP-RDJZCZTQSA-N 1 1 286.419 3.778 20 30 CHEDMO Cn1cc(C[N@H+]2CCCC3(C2)CCCCCC3)cc1C#N ZINC000483285539 1126778392 /nfs/dbraw/zinc/77/83/92/1126778392.db2.gz NQZAHLVOXXZRTQ-UHFFFAOYSA-N 1 1 285.435 3.833 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccccc1Cl ZINC001170281327 1130478039 /nfs/dbraw/zinc/47/80/39/1130478039.db2.gz DCNTUBQNNVQWME-ZDUSSCGKSA-N 1 1 264.800 3.897 20 30 CHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000483590795 1126794029 /nfs/dbraw/zinc/79/40/29/1126794029.db2.gz IHWYQTLZLGRLHC-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](CC)CC#N ZINC001255159172 1130510032 /nfs/dbraw/zinc/51/00/32/1130510032.db2.gz RUPGZMCWVXTFLR-KBPBESRZSA-N 1 1 258.365 3.594 20 30 CHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000483725323 1126798334 /nfs/dbraw/zinc/79/83/34/1126798334.db2.gz IGXAXQIHPIMROB-FUHWJXTLSA-N 1 1 253.389 3.550 20 30 CHEDMO C=CC[N@H+](Cc1occc1C(=O)OC)CC1CCCCC1 ZINC000484517561 1126824983 /nfs/dbraw/zinc/82/49/83/1126824983.db2.gz TYXPYEOJGOMAJO-UHFFFAOYSA-N 1 1 291.391 3.635 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCCCO1 ZINC000484538149 1126826733 /nfs/dbraw/zinc/82/67/33/1126826733.db2.gz ASKWMJAGIGYVBG-MRXNPFEDSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1ccccc1Br ZINC000484674283 1126838046 /nfs/dbraw/zinc/83/80/46/1126838046.db2.gz BQWKTICNXWEBHD-LBPRGKRZSA-N 1 1 298.224 3.645 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccccc1Br ZINC000484674283 1126838050 /nfs/dbraw/zinc/83/80/50/1126838050.db2.gz BQWKTICNXWEBHD-LBPRGKRZSA-N 1 1 298.224 3.645 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc3[nH]ccc32)no1 ZINC000904563101 1126859107 /nfs/dbraw/zinc/85/91/07/1126859107.db2.gz HOCVHSYFBCGQQK-ZDUSSCGKSA-N 1 1 282.347 3.574 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2c[nH]c3ccccc23)no1 ZINC000904684917 1126865256 /nfs/dbraw/zinc/86/52/56/1126865256.db2.gz ZYJKCNVIMRQWGC-CYBMUJFWSA-N 1 1 282.347 3.574 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)s2)no1 ZINC000904688503 1126866151 /nfs/dbraw/zinc/86/61/51/1126866151.db2.gz BWBHXRCHOBFDMH-MRVPVSSYSA-N 1 1 283.784 3.808 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc([C@@H]2CCCOC2)no1 ZINC000904693813 1126866891 /nfs/dbraw/zinc/86/68/91/1126866891.db2.gz BYBNQTXVBXTPPB-ZIAGYGMSSA-N 1 1 295.427 3.714 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(C(C)(C)c2ccccc2)no1 ZINC000904691065 1126867158 /nfs/dbraw/zinc/86/71/58/1126867158.db2.gz VRLCFGQVRQIAFY-CQSZACIVSA-N 1 1 285.391 3.752 20 30 CHEDMO C[C@@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000185852089 1126903948 /nfs/dbraw/zinc/90/39/48/1126903948.db2.gz GDZNIBWUCBHKQW-WDSOQIARSA-N 1 1 299.462 3.569 20 30 CHEDMO C#CC[N@@H+](C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235602937 1130757364 /nfs/dbraw/zinc/75/73/64/1130757364.db2.gz PPLDJKOXXIKHNE-UHFFFAOYSA-N 1 1 262.567 3.712 20 30 CHEDMO C#CC[N@H+](C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235602937 1130757368 /nfs/dbraw/zinc/75/73/68/1130757368.db2.gz PPLDJKOXXIKHNE-UHFFFAOYSA-N 1 1 262.567 3.712 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCC(C)(C)C#N ZINC000485755731 1126950943 /nfs/dbraw/zinc/95/09/43/1126950943.db2.gz VYCCAGAOIIAOKC-LSDHHAIUSA-N 1 1 280.456 3.842 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCC(C)(C)C#N ZINC000485755730 1126951259 /nfs/dbraw/zinc/95/12/59/1126951259.db2.gz VYCCAGAOIIAOKC-HUUCEWRRSA-N 1 1 280.456 3.842 20 30 CHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)CC#Cc2ccccc2)s1 ZINC000192014064 1126957853 /nfs/dbraw/zinc/95/78/53/1126957853.db2.gz GTCDANVSGFQEHX-CQSZACIVSA-N 1 1 284.428 3.804 20 30 CHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC#Cc2ccccc2)s1 ZINC000192014064 1126957854 /nfs/dbraw/zinc/95/78/54/1126957854.db2.gz GTCDANVSGFQEHX-CQSZACIVSA-N 1 1 284.428 3.804 20 30 CHEDMO Cc1csc([C@@H]([NH2+]CC#Cc2ccccc2)C2CC2)n1 ZINC000192165160 1126958749 /nfs/dbraw/zinc/95/87/49/1126958749.db2.gz RLIAQDVCRXOAIL-INIZCTEOSA-N 1 1 282.412 3.544 20 30 CHEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccc(F)cc1 ZINC000266705434 1126986962 /nfs/dbraw/zinc/98/69/62/1126986962.db2.gz GGNRILPRDJEFPK-UHFFFAOYSA-N 1 1 280.412 3.683 20 30 CHEDMO CCCCCCCC[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000784546507 1130909617 /nfs/dbraw/zinc/90/96/17/1130909617.db2.gz XVBDTEHEZVPFJH-UHFFFAOYSA-N 1 1 282.472 3.726 20 30 CHEDMO Cc1cnc([C@@H]([NH2+]Cc2cccc(C#N)c2)C2CC2)s1 ZINC000174546095 1127017158 /nfs/dbraw/zinc/01/71/58/1127017158.db2.gz QZOPKYRGHNSXEF-HNNXBMFYSA-N 1 1 283.400 3.564 20 30 CHEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268585021 1127019134 /nfs/dbraw/zinc/01/91/34/1127019134.db2.gz DNEBODZSHMZATB-BEFAXECRSA-N 1 1 294.398 3.593 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)c(F)c1 ZINC000042349991 1127038903 /nfs/dbraw/zinc/03/89/03/1127038903.db2.gz IWPCPRCAAGZGEC-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)c(F)c1 ZINC000042349991 1127038906 /nfs/dbraw/zinc/03/89/06/1127038906.db2.gz IWPCPRCAAGZGEC-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCc1cc(Cl)ccc1Cl ZINC000487899105 1127046396 /nfs/dbraw/zinc/04/63/96/1127046396.db2.gz QAAJQDNLENCGFI-JTQLQIEISA-N 1 1 271.191 3.627 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000487899105 1127046399 /nfs/dbraw/zinc/04/63/99/1127046399.db2.gz QAAJQDNLENCGFI-JTQLQIEISA-N 1 1 271.191 3.627 20 30 CHEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488119879 1127057936 /nfs/dbraw/zinc/05/79/36/1127057936.db2.gz CYKHYVDTXGMZKS-INIZCTEOSA-N 1 1 274.433 3.584 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)ccc1C#N ZINC000488187611 1127060506 /nfs/dbraw/zinc/06/05/06/1127060506.db2.gz VWXUOMSHGAZAMY-KRWDZBQOSA-N 1 1 265.360 3.532 20 30 CHEDMO Cc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)ccc1C#N ZINC000488231087 1127063653 /nfs/dbraw/zinc/06/36/53/1127063653.db2.gz LWPHWENFIDHOTE-IRXDYDNUSA-N 1 1 286.444 3.727 20 30 CHEDMO CC(C)C1CCC([N@@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000570408183 1127094827 /nfs/dbraw/zinc/09/48/27/1127094827.db2.gz YNZUETVXWPVQOK-UHFFFAOYSA-N 1 1 271.408 3.600 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CC[C@H](C#N)C1 ZINC000339193523 1127119182 /nfs/dbraw/zinc/11/91/82/1127119182.db2.gz GZFMHMZTILTKAC-RDJZCZTQSA-N 1 1 286.423 3.534 20 30 CHEDMO CC1(C)C[C@@H]([N@H+](CCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349384050 1127150131 /nfs/dbraw/zinc/15/01/31/1127150131.db2.gz NKKROJXQSPBADO-MRXNPFEDSA-N 1 1 286.419 3.748 20 30 CHEDMO CC1(C)C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349384050 1127150134 /nfs/dbraw/zinc/15/01/34/1127150134.db2.gz NKKROJXQSPBADO-MRXNPFEDSA-N 1 1 286.419 3.748 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571689637 1127164743 /nfs/dbraw/zinc/16/47/43/1127164743.db2.gz YMIDAACGCVTXGU-HNNXBMFYSA-N 1 1 287.363 3.621 20 30 CHEDMO N#CCCC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000571794833 1127178363 /nfs/dbraw/zinc/17/83/63/1127178363.db2.gz HXOHPGYUFLJFPU-UHFFFAOYSA-N 1 1 275.421 3.536 20 30 CHEDMO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000571875709 1127178755 /nfs/dbraw/zinc/17/87/55/1127178755.db2.gz WLGSARCILLUTMC-LRDDRELGSA-N 1 1 291.345 3.695 20 30 CHEDMO CC[N@@H+](CCc1cccs1)Cc1cc(C#N)cs1 ZINC000351659767 1127202275 /nfs/dbraw/zinc/20/22/75/1127202275.db2.gz SQZLOFQVTLHSJU-UHFFFAOYSA-N 1 1 276.430 3.746 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(Cl)c1 ZINC000588978285 1127209393 /nfs/dbraw/zinc/20/93/93/1127209393.db2.gz UYSCQJLMADUWCN-CQSZACIVSA-N 1 1 274.795 3.834 20 30 CHEDMO 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CC(C)O[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000593055743 1127370390 /nfs/dbraw/zinc/37/03/90/1127370390.db2.gz OFUWXEWCGDFVRW-WMLDXEAASA-N 1 1 272.392 3.509 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289036640 1127371104 /nfs/dbraw/zinc/37/11/04/1127371104.db2.gz BEYUGJKTJNLSPX-BEFAXECRSA-N 1 1 291.398 3.894 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289036648 1127371404 /nfs/dbraw/zinc/37/14/04/1127371404.db2.gz BEYUGJKTJNLSPX-HNAYVOBHSA-N 1 1 291.398 3.894 20 30 CHEDMO CCC1CCC([N@@H+](Cc2nc(C#N)cs2)C2CC2)CC1 ZINC000356058751 1127372427 /nfs/dbraw/zinc/37/24/27/1127372427.db2.gz GAHINQAIFGCDRK-UHFFFAOYSA-N 1 1 289.448 3.948 20 30 CHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356322130 1127382990 /nfs/dbraw/zinc/38/29/90/1127382990.db2.gz QWTRSPJRUNYVSA-XJKSGUPXSA-N 1 1 297.427 3.988 20 30 CHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356322130 1127382992 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CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000594921315 1127435769 /nfs/dbraw/zinc/43/57/69/1127435769.db2.gz KJNVMDRNXCKBKI-OAHLLOKOSA-N 1 1 297.427 3.939 20 30 CHEDMO CC(C)n1ccnc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000594951158 1127439553 /nfs/dbraw/zinc/43/95/53/1127439553.db2.gz SBVXANINFKAGSF-QGZVFWFLSA-N 1 1 294.402 3.503 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2Cl)CCCCC1 ZINC000594994287 1127444513 /nfs/dbraw/zinc/44/45/13/1127444513.db2.gz JOPMOPHOPWIVGH-UHFFFAOYSA-N 1 1 262.784 3.904 20 30 CHEDMO CC[N@@H+](Cc1cc(C)nc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295407 1127457175 /nfs/dbraw/zinc/45/71/75/1127457175.db2.gz LTMPRCZLAYWADC-AWEZNQCLSA-N 1 1 294.402 3.548 20 30 CHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCCC2)ccc1F ZINC000595091008 1127454863 /nfs/dbraw/zinc/45/48/63/1127454863.db2.gz LWTHMXYGWUPPBG-ZDUSSCGKSA-N 1 1 290.382 3.959 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)OCO2 ZINC000595096652 1127455376 /nfs/dbraw/zinc/45/53/76/1127455376.db2.gz 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CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1cccc(OC)c1 ZINC000602444087 1127579846 /nfs/dbraw/zinc/57/98/46/1127579846.db2.gz LMQRTQONXZPCRE-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)CCC#N ZINC000602440696 1127579968 /nfs/dbraw/zinc/57/99/68/1127579968.db2.gz RURZYSRWOMJFRK-CQSZACIVSA-N 1 1 289.379 3.745 20 30 CHEDMO CC[N@@H+](CCC[C@H]1CCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444158 1127580111 /nfs/dbraw/zinc/58/01/11/1127580111.db2.gz MSJGPUPNLNJFOO-PBHICJAKSA-N 1 1 272.392 3.510 20 30 CHEDMO CC[N@@H+](Cc1cc(C)ns1)[C@H](C)c1ccc(C#N)cc1 ZINC000602442969 1127580168 /nfs/dbraw/zinc/58/01/68/1127580168.db2.gz DNAJCJHEGVMMNE-CYBMUJFWSA-N 1 1 285.416 3.906 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000602476564 1127581629 /nfs/dbraw/zinc/58/16/29/1127581629.db2.gz XPWIYDOXSPRSSI-HLLBOEOZSA-N 1 1 256.393 3.804 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(CC(F)(F)F)cc1)CC1CC1 ZINC000602465231 1127582784 /nfs/dbraw/zinc/58/27/84/1127582784.db2.gz 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C=CCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000606896344 1127779686 /nfs/dbraw/zinc/77/96/86/1127779686.db2.gz OHTOPJMRPFHIHD-UHFFFAOYSA-N 1 1 259.271 3.593 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(Cl)c1 ZINC000615224798 1127784204 /nfs/dbraw/zinc/78/42/04/1127784204.db2.gz GCJMNHXLTGUIMY-CQSZACIVSA-N 1 1 286.762 3.794 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000543810837 1127792631 /nfs/dbraw/zinc/79/26/31/1127792631.db2.gz LQVCBIJICMDSTO-QAPCUYQASA-N 1 1 271.379 3.689 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410384843 1127807890 /nfs/dbraw/zinc/80/78/90/1127807890.db2.gz WGUNTKLHXZQNMN-IXDOHACOSA-N 1 1 290.451 3.740 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000607744941 1127823562 /nfs/dbraw/zinc/82/35/62/1127823562.db2.gz XNISVFBFEADGKV-QGZVFWFLSA-N 1 1 273.420 3.916 20 30 CHEDMO CC#CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000607724161 1127825828 /nfs/dbraw/zinc/82/58/28/1127825828.db2.gz OOERFSJKUDMCML-CQSZACIVSA-N 1 1 278.193 3.609 20 30 CHEDMO CC#CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000607724161 1127825834 /nfs/dbraw/zinc/82/58/34/1127825834.db2.gz OOERFSJKUDMCML-CQSZACIVSA-N 1 1 278.193 3.609 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000411127447 1127840780 /nfs/dbraw/zinc/84/07/80/1127840780.db2.gz BXSMDXAJIWPZOU-CQSZACIVSA-N 1 1 299.370 3.815 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000411127447 1127840783 /nfs/dbraw/zinc/84/07/83/1127840783.db2.gz BXSMDXAJIWPZOU-CQSZACIVSA-N 1 1 299.370 3.815 20 30 CHEDMO CCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411198204 1127848648 /nfs/dbraw/zinc/84/86/48/1127848648.db2.gz DZBNYNLEFDUULB-GDBMZVCRSA-N 1 1 260.356 3.730 20 30 CHEDMO CCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000411198210 1127848687 /nfs/dbraw/zinc/84/86/87/1127848687.db2.gz DZBNYNLEFDUULB-GOEBONIOSA-N 1 1 260.356 3.730 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000063581499 1127848756 /nfs/dbraw/zinc/84/87/56/1127848756.db2.gz LHEGLDMVVBPAIG-DNVCBOLYSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000063581499 1127848759 /nfs/dbraw/zinc/84/87/59/1127848759.db2.gz LHEGLDMVVBPAIG-DNVCBOLYSA-N 1 1 292.382 3.520 20 30 CHEDMO CC[NH+]1CC[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853553 /nfs/dbraw/zinc/85/35/53/1127853553.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 1 1 291.483 3.655 20 30 CHEDMO CCN1CC[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853559 /nfs/dbraw/zinc/85/35/59/1127853559.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 1 1 291.483 3.655 20 30 CHEDMO CCN1CC[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853565 /nfs/dbraw/zinc/85/35/65/1127853565.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 1 1 291.483 3.655 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000411308269 1127854876 /nfs/dbraw/zinc/85/48/76/1127854876.db2.gz ICRHIGMWIHHLGB-VYDXJSESSA-N 1 1 256.393 3.804 20 30 CHEDMO COc1cc([C@H](C)[NH2+]CCC#N)ccc1OC1CCCC1 ZINC000411452129 1127861028 /nfs/dbraw/zinc/86/10/28/1127861028.db2.gz OVWCEEKZKHNDQI-ZDUSSCGKSA-N 1 1 288.391 3.581 20 30 CHEDMO C[C@H]1CSCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411638545 1127867539 /nfs/dbraw/zinc/86/75/39/1127867539.db2.gz UUPLGDVGCCTSOE-CQSZACIVSA-N 1 1 266.454 3.535 20 30 CHEDMO Cc1ccccc1[C@]1(F)CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411690288 1127870289 /nfs/dbraw/zinc/87/02/89/1127870289.db2.gz LJTJIJGOLUBNNG-ZBFHGGJFSA-N 1 1 260.356 3.558 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869960 1127877337 /nfs/dbraw/zinc/87/73/37/1127877337.db2.gz NUTYOSICWOEXJS-UHFFFAOYSA-N 1 1 290.407 3.559 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411869960 1127877340 /nfs/dbraw/zinc/87/73/40/1127877340.db2.gz NUTYOSICWOEXJS-UHFFFAOYSA-N 1 1 290.407 3.559 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872953 1127877373 /nfs/dbraw/zinc/87/73/73/1127877373.db2.gz AZLXDBCKWBEXKS-UHFFFAOYSA-N 1 1 290.407 3.559 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411872953 1127877378 /nfs/dbraw/zinc/87/73/78/1127877378.db2.gz AZLXDBCKWBEXKS-UHFFFAOYSA-N 1 1 290.407 3.559 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)C1 ZINC000411992177 1127884791 /nfs/dbraw/zinc/88/47/91/1127884791.db2.gz VDWGUQKVOZEZTB-NJAFHUGGSA-N 1 1 280.415 3.948 20 30 CHEDMO N#CC1(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411983206 1127885181 /nfs/dbraw/zinc/88/51/81/1127885181.db2.gz LRIRVXKNFDDNAH-INIZCTEOSA-N 1 1 266.388 3.560 20 30 CHEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412004004 1127885726 /nfs/dbraw/zinc/88/57/26/1127885726.db2.gz BSHWEIGZSJIEOG-IAGOWNOFSA-N 1 1 268.404 3.948 20 30 CHEDMO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1occc1C ZINC000412032486 1127889925 /nfs/dbraw/zinc/88/99/25/1127889925.db2.gz YZUUXPYXXMJYHD-UHFFFAOYSA-N 1 1 271.335 3.601 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1occc1C ZINC000412032486 1127889930 /nfs/dbraw/zinc/88/99/30/1127889930.db2.gz YZUUXPYXXMJYHD-UHFFFAOYSA-N 1 1 271.335 3.601 20 30 CHEDMO CCCC[N@@H+](CC)Cc1ccc(Br)c(C#N)c1 ZINC001232892119 1127899870 /nfs/dbraw/zinc/89/98/70/1127899870.db2.gz ACRUEUOLIUQVJW-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000535264707 1127911464 /nfs/dbraw/zinc/91/14/64/1127911464.db2.gz GWIHLZISSUGYEW-KRWDZBQOSA-N 1 1 297.789 3.810 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000442893960 1127919389 /nfs/dbraw/zinc/91/93/89/1127919389.db2.gz HFUBJNMFMSWAPT-HNAYVOBHSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000442893960 1127919391 /nfs/dbraw/zinc/91/93/91/1127919391.db2.gz HFUBJNMFMSWAPT-HNAYVOBHSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc(C#N)c1 ZINC000539498401 1127926542 /nfs/dbraw/zinc/92/65/42/1127926542.db2.gz OGTFGVSYKDUROY-HNAYVOBHSA-N 1 1 299.462 3.719 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000375405751 1127943381 /nfs/dbraw/zinc/94/33/81/1127943381.db2.gz QTACNBRYJMOLJP-QGZVFWFLSA-N 1 1 286.419 3.780 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000375405751 1127943383 /nfs/dbraw/zinc/94/33/83/1127943383.db2.gz QTACNBRYJMOLJP-QGZVFWFLSA-N 1 1 286.419 3.780 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000539828023 1127945238 /nfs/dbraw/zinc/94/52/38/1127945238.db2.gz BTXWXJGCBGXPMM-UHFFFAOYSA-N 1 1 298.434 3.754 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000540057340 1127959482 /nfs/dbraw/zinc/95/94/82/1127959482.db2.gz NAHFRLJAWWEHPX-UHFFFAOYSA-N 1 1 271.282 3.736 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1F ZINC000540299265 1127972692 /nfs/dbraw/zinc/97/26/92/1127972692.db2.gz WMIAYKSFQNOBOT-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000540339020 1127975916 /nfs/dbraw/zinc/97/59/16/1127975916.db2.gz LTCLCUVCAFCFOQ-WMLDXEAASA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000540339020 1127975918 /nfs/dbraw/zinc/97/59/18/1127975918.db2.gz LTCLCUVCAFCFOQ-WMLDXEAASA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000467817945 1127981174 /nfs/dbraw/zinc/98/11/74/1127981174.db2.gz UOTQKQPEDSVPQU-QGZVFWFLSA-N 1 1 292.467 3.526 20 30 CHEDMO CCCC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000540595023 1127985260 /nfs/dbraw/zinc/98/52/60/1127985260.db2.gz SISKCAMMBZJIBR-APWZRJJASA-N 1 1 299.462 3.863 20 30 CHEDMO CCCC[N@H+]1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000540595023 1127985261 /nfs/dbraw/zinc/98/52/61/1127985261.db2.gz SISKCAMMBZJIBR-APWZRJJASA-N 1 1 299.462 3.863 20 30 CHEDMO CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000540595028 1127985367 /nfs/dbraw/zinc/98/53/67/1127985367.db2.gz SISKCAMMBZJIBR-QFBILLFUSA-N 1 1 299.462 3.863 20 30 CHEDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000540595028 1127985369 /nfs/dbraw/zinc/98/53/69/1127985369.db2.gz SISKCAMMBZJIBR-QFBILLFUSA-N 1 1 299.462 3.863 20 30 CHEDMO CC(C)C[N@@H+](CCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000540667710 1127990177 /nfs/dbraw/zinc/99/01/77/1127990177.db2.gz JDDXRUDHLOPVGS-UHFFFAOYSA-N 1 1 283.419 3.956 20 30 CHEDMO C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545271816 1128009473 /nfs/dbraw/zinc/00/94/73/1128009473.db2.gz KMYRWSRXGSQKEC-NEWSRXKRSA-N 1 1 286.463 3.841 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000213460151 1128020381 /nfs/dbraw/zinc/02/03/81/1128020381.db2.gz COOBLKDRBJVQFD-INIZCTEOSA-N 1 1 272.392 3.721 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC000541393212 1128022009 /nfs/dbraw/zinc/02/20/09/1128022009.db2.gz NEPYDSYPZPZKDU-LJQANCHMSA-N 1 1 276.383 3.856 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000469280786 1128039726 /nfs/dbraw/zinc/03/97/26/1128039726.db2.gz VTWQQFQJKXUJKX-LJQANCHMSA-N 1 1 294.373 3.904 20 30 CHEDMO Cc1cc(Cl)cc(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000509824994 1128040602 /nfs/dbraw/zinc/04/06/02/1128040602.db2.gz CDLVRAFJTQXLTD-JTQLQIEISA-N 1 1 250.773 3.548 20 30 CHEDMO Cc1cc(Cl)cc(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000509824994 1128040606 /nfs/dbraw/zinc/04/06/06/1128040606.db2.gz CDLVRAFJTQXLTD-JTQLQIEISA-N 1 1 250.773 3.548 20 30 CHEDMO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](C)S1 ZINC000929726110 1128056825 /nfs/dbraw/zinc/05/68/25/1128056825.db2.gz POAUKVUZUFOMBP-OKILXGFUSA-N 1 1 266.454 3.676 20 30 CHEDMO CC[N@@H+](CCc1ccc(C(C)C)cc1)C[C@@H](C)C#N ZINC000469911276 1128058051 /nfs/dbraw/zinc/05/80/51/1128058051.db2.gz YLTLJRQKGMZCLH-HNNXBMFYSA-N 1 1 258.409 3.834 20 30 CHEDMO C[N@H+](Cc1ccc(CC#N)cc1)C[C@H]1CC=CCC1 ZINC000542248796 1128059391 /nfs/dbraw/zinc/05/93/91/1128059391.db2.gz TYNHWOWRZSVUMY-INIZCTEOSA-N 1 1 254.377 3.541 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542278651 1128061057 /nfs/dbraw/zinc/06/10/57/1128061057.db2.gz DKVBRNFYTROENT-ZTFGCOKTSA-N 1 1 268.404 3.906 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(F)(F)F ZINC000491390230 1128068719 /nfs/dbraw/zinc/06/87/19/1128068719.db2.gz SGAKGGVURVZZJK-JTQLQIEISA-N 1 1 256.271 3.503 20 30 CHEDMO C=CCOCCC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000470763261 1128076262 /nfs/dbraw/zinc/07/62/62/1128076262.db2.gz CJXRDXKKJFQQSK-KRWDZBQOSA-N 1 1 291.460 3.678 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000470727726 1128074599 /nfs/dbraw/zinc/07/45/99/1128074599.db2.gz WCHCWJWHWJNLEL-KRWDZBQOSA-N 1 1 259.393 3.725 20 30 CHEDMO C=CCOCCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000470721684 1128075003 /nfs/dbraw/zinc/07/50/03/1128075003.db2.gz DHJWQGFQCHZIIV-CQSZACIVSA-N 1 1 265.372 3.801 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000470716680 1128075320 /nfs/dbraw/zinc/07/53/20/1128075320.db2.gz NUAFEDGITGXJDX-INIZCTEOSA-N 1 1 261.409 3.889 20 30 CHEDMO CCC1(CC)CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000094802963 1128079980 /nfs/dbraw/zinc/07/99/80/1128079980.db2.gz USLUZFMAQWTTOD-UHFFFAOYSA-N 1 1 272.392 3.579 20 30 CHEDMO C=CCOCCC[N@H+](CC(=C)C)Cc1ccccc1 ZINC000470916179 1128080603 /nfs/dbraw/zinc/08/06/03/1128080603.db2.gz APYYSKSVQVHJQV-UHFFFAOYSA-N 1 1 259.393 3.657 20 30 CHEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000173865127 1128093977 /nfs/dbraw/zinc/09/39/77/1128093977.db2.gz UYZNIHQWBBSFGT-UHFFFAOYSA-N 1 1 262.422 3.544 20 30 CHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCCSCC#N)C1CC1 ZINC000173883141 1128094356 /nfs/dbraw/zinc/09/43/56/1128094356.db2.gz GCYBSOFFZZPMHB-STQMWFEESA-N 1 1 254.443 3.532 20 30 CHEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(C#N)cc1 ZINC000152342492 1128116739 /nfs/dbraw/zinc/11/67/39/1128116739.db2.gz YEXPJSGPVBUZSI-UHFFFAOYSA-N 1 1 279.387 3.853 20 30 CHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000925120205 1128122239 /nfs/dbraw/zinc/12/22/39/1128122239.db2.gz XBGCGMLPWYIVSW-QMMMGPOBSA-N 1 1 291.342 3.580 20 30 CHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000925184382 1128124997 /nfs/dbraw/zinc/12/49/97/1128124997.db2.gz BXAGIVNPVDNOIJ-NHYWBVRUSA-N 1 1 281.359 3.583 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094326 1128126005 /nfs/dbraw/zinc/12/60/05/1128126005.db2.gz LGUXLTQWHJZZME-INIZCTEOSA-N 1 1 252.446 3.716 20 30 CHEDMO C=CCC[C@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925580997 1128133199 /nfs/dbraw/zinc/13/31/99/1128133199.db2.gz UYFWTGABFWLYFI-PBHICJAKSA-N 1 1 298.434 3.965 20 30 CHEDMO C=CCCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925764876 1128140876 /nfs/dbraw/zinc/14/08/76/1128140876.db2.gz KFWQRSZITXZKBA-ZZJWQFMZSA-N 1 1 284.447 3.957 20 30 CHEDMO N#CC1CCC(C[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000929813942 1128152811 /nfs/dbraw/zinc/15/28/11/1128152811.db2.gz HLQNYCGGTZQQEH-DAWZGUTISA-N 1 1 268.404 3.633 20 30 CHEDMO C[N@H+](Cc1cccc2[nH]ccc21)Cc1cc(F)ccc1C#N ZINC000494049558 1128155050 /nfs/dbraw/zinc/15/50/50/1128155050.db2.gz NXCIARHGVZVXLS-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1cc(F)ccc1C#N ZINC000494049558 1128155052 /nfs/dbraw/zinc/15/50/52/1128155052.db2.gz NXCIARHGVZVXLS-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO CC(C)C1CCC([N@@H+](C)Cc2nc(C#N)cs2)CC1 ZINC000558574636 1128160225 /nfs/dbraw/zinc/16/02/25/1128160225.db2.gz LNYDRPRTMUWLLQ-UHFFFAOYSA-N 1 1 277.437 3.661 20 30 CHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000926320613 1128166425 /nfs/dbraw/zinc/16/64/25/1128166425.db2.gz IZTBFRFWIQDBBI-QMMMGPOBSA-N 1 1 288.288 3.661 20 30 CHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926343275 1128167742 /nfs/dbraw/zinc/16/77/42/1128167742.db2.gz PLXBMOOOEXZRRP-YCPHGPKFSA-N 1 1 295.373 3.738 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(C2CCC2)c1 ZINC000926712907 1128189750 /nfs/dbraw/zinc/18/97/50/1128189750.db2.gz PVKJJOLKHJISGS-AWEZNQCLSA-N 1 1 286.423 3.733 20 30 CHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H]1CCc2ccccc21 ZINC000929245803 1128265766 /nfs/dbraw/zinc/26/57/66/1128265766.db2.gz IHCPNEZVAJIWGI-JMLCCBQJSA-N 1 1 268.404 3.936 20 30 CHEDMO Cc1ccc(C[NH2+][C@@H](C)c2cccnc2Cl)cc1C#N ZINC000926966320 1128206904 /nfs/dbraw/zinc/20/69/04/1128206904.db2.gz IUEMKLUFVBRLFJ-LBPRGKRZSA-N 1 1 285.778 3.766 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCC)c(F)c1 ZINC000495079036 1128229159 /nfs/dbraw/zinc/22/91/59/1128229159.db2.gz MLLLWZIKWSHMBF-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@H]1OCCc2ccccc21 ZINC000929467414 1128274744 /nfs/dbraw/zinc/27/47/44/1128274744.db2.gz ALTUAQSOJLXYIZ-LADRWXRNSA-N 1 1 298.430 3.562 20 30 CHEDMO CCc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccc1C#N ZINC001238766259 1131242955 /nfs/dbraw/zinc/24/29/55/1131242955.db2.gz JRRYWFZYOZGOEW-OAHLLOKOSA-N 1 1 296.336 3.690 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)ccc1C#N ZINC000487911424 1128283571 /nfs/dbraw/zinc/28/35/71/1128283571.db2.gz MAXBDIJTBBFZBQ-QGZVFWFLSA-N 1 1 254.377 3.631 20 30 CHEDMO C[C@]1(c2ccccc2)C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000929831135 1128289716 /nfs/dbraw/zinc/28/97/16/1128289716.db2.gz CXJJRGQLMFCQNY-FAFZWHIHSA-N 1 1 298.430 3.564 20 30 CHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@H](c2ccccc2)CO1 ZINC000929760006 1128285321 /nfs/dbraw/zinc/28/53/21/1128285321.db2.gz NBUXRYJJGNKTQB-JIZBTBOESA-N 1 1 298.430 3.778 20 30 CHEDMO CC[NH+](CC)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929751255 1128285494 /nfs/dbraw/zinc/28/54/94/1128285494.db2.gz YOYSIRJOMUKNTJ-KRWDZBQOSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929782509 1128287138 /nfs/dbraw/zinc/28/71/38/1128287138.db2.gz ZNQPPIJZBWMKRE-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@H+](C)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929782509 1128287146 /nfs/dbraw/zinc/28/71/46/1128287146.db2.gz ZNQPPIJZBWMKRE-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@@H+](C)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929782509 1128287148 /nfs/dbraw/zinc/28/71/48/1128287148.db2.gz ZNQPPIJZBWMKRE-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO CCCCCCCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000915265151 1128296861 /nfs/dbraw/zinc/29/68/61/1128296861.db2.gz AJBDQEMQRZIPFZ-INIZCTEOSA-N 1 1 282.472 3.728 20 30 CHEDMO N#CC1(CCCC[N@@H+](Cc2cccnc2)C2CC2)CCC1 ZINC000930112105 1128301674 /nfs/dbraw/zinc/30/16/74/1128301674.db2.gz OHUJNHSZABEXOR-UHFFFAOYSA-N 1 1 283.419 3.910 20 30 CHEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)CCC1 ZINC000930121616 1128301853 /nfs/dbraw/zinc/30/18/53/1128301853.db2.gz QIJMUWIJNAAAIP-GFCCVEGCSA-N 1 1 274.330 3.735 20 30 CHEDMO Cc1ccncc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930290335 1128312771 /nfs/dbraw/zinc/31/27/71/1128312771.db2.gz BTMGENRKSLFRBC-UHFFFAOYSA-N 1 1 271.408 3.686 20 30 CHEDMO CC(C)C[N@@H+](C[C@H](O)CC#N)[C@H](C)c1ccccc1Cl ZINC000930371564 1128316102 /nfs/dbraw/zinc/31/61/02/1128316102.db2.gz WZAHNIYIYVMYNG-ZIAGYGMSSA-N 1 1 294.826 3.634 20 30 CHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930497362 1128321637 /nfs/dbraw/zinc/32/16/37/1128321637.db2.gz ZZMRKHWRTHXTMM-SFHVURJKSA-N 1 1 295.386 3.545 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000930517356 1128323353 /nfs/dbraw/zinc/32/33/53/1128323353.db2.gz VNPDANYJEPEAIZ-SFHVURJKSA-N 1 1 291.398 3.560 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000930567787 1128325534 /nfs/dbraw/zinc/32/55/34/1128325534.db2.gz AIUNCHSXWGODEW-OFLPRAFFSA-N 1 1 283.419 3.591 20 30 CHEDMO Cc1cccc([C@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000930764440 1128334107 /nfs/dbraw/zinc/33/41/07/1128334107.db2.gz MXMZAHWTFGFHEF-DNVCBOLYSA-N 1 1 294.398 3.593 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cccnc1 ZINC000930765303 1128334766 /nfs/dbraw/zinc/33/47/66/1128334766.db2.gz VFYDOIXFUNHOAC-OAHLLOKOSA-N 1 1 279.387 3.579 20 30 CHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)C1CCCC1 ZINC000035766111 1128335238 /nfs/dbraw/zinc/33/52/38/1128335238.db2.gz UZZMXFPFMOSAEG-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 ZINC000153670154 1128331547 /nfs/dbraw/zinc/33/15/47/1128331547.db2.gz DXWKDZFRSPSDOT-CQSZACIVSA-N 1 1 272.392 3.742 20 30 CHEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000487999460 1128332474 /nfs/dbraw/zinc/33/24/74/1128332474.db2.gz AOSHRZFAUCMOSC-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000930742578 1128333565 /nfs/dbraw/zinc/33/35/65/1128333565.db2.gz HYHBDRQQQWCCLF-JKSUJKDBSA-N 1 1 271.408 3.600 20 30 CHEDMO CC(C)O[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930848726 1128337188 /nfs/dbraw/zinc/33/71/88/1128337188.db2.gz LYMACRLPRBGVFZ-INIZCTEOSA-N 1 1 278.440 3.740 20 30 CHEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(C#N)c(C)c1 ZINC001649175729 1128338622 /nfs/dbraw/zinc/33/86/22/1128338622.db2.gz PMDIWTJUORXSMD-IBGZPJMESA-N 1 1 299.462 3.611 20 30 CHEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)c(C)c1 ZINC001649175729 1128338626 /nfs/dbraw/zinc/33/86/26/1128338626.db2.gz PMDIWTJUORXSMD-IBGZPJMESA-N 1 1 299.462 3.611 20 30 CHEDMO N#CC1CCC(C[N@H+]2CC3CC2(c2ccccc2)C3)CC1 ZINC000931080392 1128346325 /nfs/dbraw/zinc/34/63/25/1128346325.db2.gz YRQVZPCKTUAYHJ-UHFFFAOYSA-N 1 1 280.415 3.937 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CC(=C)C)c1O ZINC000777961010 1128348630 /nfs/dbraw/zinc/34/86/30/1128348630.db2.gz QRNLZAIGDNUWMO-UHFFFAOYSA-N 1 1 275.392 3.527 20 30 CHEDMO N#CC1(CCCC[N@H+]2CC[C@H]3CSC[C@H]3C2)CCC1 ZINC000931548946 1128368850 /nfs/dbraw/zinc/36/88/50/1128368850.db2.gz KSKBHSQIMMJTCI-LSDHHAIUSA-N 1 1 278.465 3.535 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2CC2CCC(C#N)CC2)c1 ZINC000931567823 1128369460 /nfs/dbraw/zinc/36/94/60/1128369460.db2.gz YXKNKOCUKLIBFP-LEOMRAHMSA-N 1 1 283.419 3.857 20 30 CHEDMO N#CC1(CCCC[N@@H+]2CCc3nc[nH]c3C23CCC3)CCC1 ZINC000931674959 1128375510 /nfs/dbraw/zinc/37/55/10/1128375510.db2.gz HMVMCBPLTOSAPK-UHFFFAOYSA-N 1 1 298.434 3.511 20 30 CHEDMO N#CC1(CCCC[N@H+]2CCc3nc[nH]c3C23CCC3)CCC1 ZINC000931674959 1128375515 /nfs/dbraw/zinc/37/55/15/1128375515.db2.gz HMVMCBPLTOSAPK-UHFFFAOYSA-N 1 1 298.434 3.511 20 30 CHEDMO N#CC1(CC[N@H+]2CCc3nc[nH]c3C23CCC3)CCCCC1 ZINC000931680006 1128376106 /nfs/dbraw/zinc/37/61/06/1128376106.db2.gz KFCJLLDSJNYDJR-UHFFFAOYSA-N 1 1 298.434 3.511 20 30 CHEDMO N#CC1(CCCC[N@H+]2CC[C@H](c3nccs3)C2)CCC1 ZINC000931689522 1128376997 /nfs/dbraw/zinc/37/69/97/1128376997.db2.gz YITKGYZJXVGLJC-AWEZNQCLSA-N 1 1 289.448 3.797 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910442 1128386852 /nfs/dbraw/zinc/38/68/52/1128386852.db2.gz QHXDYGKVMSFFKK-ZDUSSCGKSA-N 1 1 291.332 3.937 20 30 CHEDMO C#CC[N@H+](Cc1nc(-c2ccsc2)oc1C)C(C)C ZINC000932392207 1128407807 /nfs/dbraw/zinc/40/78/07/1128407807.db2.gz CIDIQGKGCWWRLG-UHFFFAOYSA-N 1 1 274.389 3.555 20 30 CHEDMO C#CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)C(C)C ZINC000932392207 1128407810 /nfs/dbraw/zinc/40/78/10/1128407810.db2.gz CIDIQGKGCWWRLG-UHFFFAOYSA-N 1 1 274.389 3.555 20 30 CHEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCCC#N)C1 ZINC000932687048 1128418488 /nfs/dbraw/zinc/41/84/88/1128418488.db2.gz QAWIZUGSYZMJTN-KRWDZBQOSA-N 1 1 294.439 3.514 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000932448813 1128410923 /nfs/dbraw/zinc/41/09/23/1128410923.db2.gz WPHATIPEQANAOU-UHFFFAOYSA-N 1 1 285.416 3.673 20 30 CHEDMO CC(=[NH+]Nc1cccc(C)c1)c1ccc(N(C)C)cc1 ZINC000916256264 1128412276 /nfs/dbraw/zinc/41/22/76/1128412276.db2.gz SWTNBHTXFGZIBM-UHFFFAOYSA-N 1 1 267.376 3.897 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(C)CC1(Cl)Cl ZINC000933771112 1128442345 /nfs/dbraw/zinc/44/23/45/1128442345.db2.gz PDUFFIYULHJDLU-NSHDSACASA-N 1 1 289.231 3.635 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934331415 1128458388 /nfs/dbraw/zinc/45/83/88/1128458388.db2.gz AOHKJSUITBLZKO-UKRRQHHQSA-N 1 1 297.427 3.640 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000934645441 1128465543 /nfs/dbraw/zinc/46/55/43/1128465543.db2.gz RGOINDIFUXFVCY-INIZCTEOSA-N 1 1 294.483 3.559 20 30 CHEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000934468328 1128461378 /nfs/dbraw/zinc/46/13/78/1128461378.db2.gz CBQUXHQIZRVPQI-GOSISDBHSA-N 1 1 294.398 3.811 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000934470690 1128461832 /nfs/dbraw/zinc/46/18/32/1128461832.db2.gz DWHSUYDEOHHXAT-UKRRQHHQSA-N 1 1 283.375 3.756 20 30 CHEDMO C=CCCC[N@@H+](CC)Cc1ncc(Br)s1 ZINC000934643234 1128465832 /nfs/dbraw/zinc/46/58/32/1128465832.db2.gz ROCZPAMMGROGJF-UHFFFAOYSA-N 1 1 289.242 3.694 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ncc(Br)s1 ZINC000934643234 1128465836 /nfs/dbraw/zinc/46/58/36/1128465836.db2.gz ROCZPAMMGROGJF-UHFFFAOYSA-N 1 1 289.242 3.694 20 30 CHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000917010096 1128467946 /nfs/dbraw/zinc/46/79/46/1128467946.db2.gz PLYPPSNYJAIZLS-OAHLLOKOSA-N 1 1 273.424 3.722 20 30 CHEDMO CCc1oc2ccccc2c1C[N@H+](CC)CCC#N ZINC000127623559 1128481217 /nfs/dbraw/zinc/48/12/17/1128481217.db2.gz GKVNSTXFSJMSBV-UHFFFAOYSA-N 1 1 256.349 3.731 20 30 CHEDMO CCc1oc2ccccc2c1C[N@@H+](CC)CCC#N ZINC000127623559 1128481218 /nfs/dbraw/zinc/48/12/18/1128481218.db2.gz GKVNSTXFSJMSBV-UHFFFAOYSA-N 1 1 256.349 3.731 20 30 CHEDMO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000563957049 1128487065 /nfs/dbraw/zinc/48/70/65/1128487065.db2.gz DDVIMJZVGUNYJI-UHFFFAOYSA-N 1 1 299.443 3.796 20 30 CHEDMO C=CC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)C ZINC000917166798 1128489717 /nfs/dbraw/zinc/48/97/17/1128489717.db2.gz HLOHDQOYOIPDIV-UHFFFAOYSA-N 1 1 285.387 3.806 20 30 CHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000564028818 1128490463 /nfs/dbraw/zinc/49/04/63/1128490463.db2.gz GLEOENCBJBXWTL-QGZVFWFLSA-N 1 1 295.386 3.972 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(F)c(Br)c1)C(C)C ZINC000917405368 1128498728 /nfs/dbraw/zinc/49/87/28/1128498728.db2.gz NKOMHZYVQMRJIG-UHFFFAOYSA-N 1 1 286.188 3.985 20 30 CHEDMO C[N@H+]1CCCC[C@H]1CCSc1cccc(F)c1C#N ZINC000565241214 1128522310 /nfs/dbraw/zinc/52/23/10/1128522310.db2.gz SELCZHHZIOZWIS-LBPRGKRZSA-N 1 1 278.396 3.664 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000567051978 1128556369 /nfs/dbraw/zinc/55/63/69/1128556369.db2.gz IAGIMYYPQCEJRO-UHFFFAOYSA-N 1 1 299.374 3.623 20 30 CHEDMO CCCCCCCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000918701280 1128566652 /nfs/dbraw/zinc/56/66/52/1128566652.db2.gz QERLZAYREPVIGM-UHFFFAOYSA-N 1 1 296.499 3.926 20 30 CHEDMO C=C(Cl)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763430272 1128569607 /nfs/dbraw/zinc/56/96/07/1128569607.db2.gz DJLPXDYQQOYYDG-HNNXBMFYSA-N 1 1 284.875 3.715 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1Cl ZINC000556262075 1128570086 /nfs/dbraw/zinc/57/00/86/1128570086.db2.gz VNHVXZFJPKTYPJ-BIGNPOOSSA-N 1 1 266.747 3.753 20 30 CHEDMO COc1ccccc1C[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000130179162 1128570799 /nfs/dbraw/zinc/57/07/99/1128570799.db2.gz LNXOFFIQGWNSKR-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO COc1ccccc1C[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000130179162 1128570801 /nfs/dbraw/zinc/57/08/01/1128570801.db2.gz LNXOFFIQGWNSKR-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567906040 1128573898 /nfs/dbraw/zinc/57/38/98/1128573898.db2.gz CRTLVOUEVCSLAP-KRWDZBQOSA-N 1 1 294.398 3.636 20 30 CHEDMO C#CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCCC1 ZINC000155751405 1128613845 /nfs/dbraw/zinc/61/38/45/1128613845.db2.gz RXUYZNZUQDHDFR-UHFFFAOYSA-N 1 1 298.361 3.859 20 30 CHEDMO C#CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCCC1 ZINC000155751405 1128613848 /nfs/dbraw/zinc/61/38/48/1128613848.db2.gz RXUYZNZUQDHDFR-UHFFFAOYSA-N 1 1 298.361 3.859 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000567958644 1128575602 /nfs/dbraw/zinc/57/56/02/1128575602.db2.gz UIZJHSVCZDONTQ-UHFFFAOYSA-N 1 1 294.398 3.515 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000130668636 1128615657 /nfs/dbraw/zinc/61/56/57/1128615657.db2.gz WGCJCSMNGZAQHX-GOSISDBHSA-N 1 1 285.362 3.547 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000072045905 1128603857 /nfs/dbraw/zinc/60/38/57/1128603857.db2.gz QAWHWMGHCRZJIA-UHFFFAOYSA-N 1 1 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C=CCCCCCCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209441836 1118060875 /nfs/dbraw/zinc/06/08/75/1118060875.db2.gz KSQOEYZGUVXHMK-SFHVURJKSA-N 1 1 288.435 3.982 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209441836 1118060878 /nfs/dbraw/zinc/06/08/78/1118060878.db2.gz KSQOEYZGUVXHMK-SFHVURJKSA-N 1 1 288.435 3.982 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001209442239 1118062523 /nfs/dbraw/zinc/06/25/23/1118062523.db2.gz OVCTXCRYPDHOAM-KRWDZBQOSA-N 1 1 266.473 3.928 20 30 CHEDMO C=CCCCCCCCN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001209442239 1118062528 /nfs/dbraw/zinc/06/25/28/1118062528.db2.gz OVCTXCRYPDHOAM-KRWDZBQOSA-N 1 1 266.473 3.928 20 30 CHEDMO C=CCCCCCCCN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001209442239 1118062534 /nfs/dbraw/zinc/06/25/34/1118062534.db2.gz OVCTXCRYPDHOAM-KRWDZBQOSA-N 1 1 266.473 3.928 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@H]1C(=O)NCC ZINC001209446053 1118063223 /nfs/dbraw/zinc/06/32/23/1118063223.db2.gz POLDQMKQBIBBST-INIZCTEOSA-N 1 1 280.456 3.504 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ZINC000343462517 1119426537 /nfs/dbraw/zinc/42/65/37/1119426537.db2.gz AZZYMBKLKRATNT-UHFFFAOYSA-N 1 1 258.390 3.818 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253194306 1119472122 /nfs/dbraw/zinc/47/21/22/1119472122.db2.gz PUTRZXBMIWDHSK-JYJNAYRXSA-N 1 1 254.462 3.652 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000343720833 1119495070 /nfs/dbraw/zinc/49/50/70/1119495070.db2.gz KQTWOVNXNVETFC-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000343720833 1119495073 /nfs/dbraw/zinc/49/50/73/1119495073.db2.gz KQTWOVNXNVETFC-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000343738353 1119498626 /nfs/dbraw/zinc/49/86/26/1119498626.db2.gz DTYKVOOBZCURSI-CRAIPNDOSA-N 1 1 268.404 3.765 20 30 CHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2Cl)no1 ZINC001212325293 1128850916 /nfs/dbraw/zinc/85/09/16/1128850916.db2.gz MSYIMNHZCTYMPA-ZDUSSCGKSA-N 1 1 289.766 3.502 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000378830464 1119563112 /nfs/dbraw/zinc/56/31/12/1119563112.db2.gz JRPXESFMILUKRB-CVEARBPZSA-N 1 1 284.403 3.577 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657875650 1119589422 /nfs/dbraw/zinc/58/94/22/1119589422.db2.gz NOCRNSJDEATPRR-AWEZNQCLSA-N 1 1 299.418 3.519 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1C#N ZINC000134949119 1119589824 /nfs/dbraw/zinc/58/98/24/1119589824.db2.gz PZUOWCUYOPHALL-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO N#Cc1ccc(CCNc2[nH+]ccc3cc(F)ccc32)cc1 ZINC001167677209 1119590350 /nfs/dbraw/zinc/59/03/50/1119590350.db2.gz URSUJFDPCSQMPX-UHFFFAOYSA-N 1 1 291.329 3.900 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2oc(C)nc2C)CCCC1(C)C ZINC000685578092 1119633494 /nfs/dbraw/zinc/63/34/94/1119633494.db2.gz ONUNAVMXHDQWOH-OAHLLOKOSA-N 1 1 262.397 3.858 20 30 CHEDMO COCC#CC[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000685587776 1119634874 /nfs/dbraw/zinc/63/48/74/1119634874.db2.gz 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C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(C)(C)CCC#N ZINC000092063949 1119822676 /nfs/dbraw/zinc/82/26/76/1119822676.db2.gz VQJRMAACNQTVKY-YOEHRIQHSA-N 1 1 286.419 3.640 20 30 CHEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000613502784 1119944862 /nfs/dbraw/zinc/94/48/62/1119944862.db2.gz AVSFPLIBQJGEGV-IBGZPJMESA-N 1 1 291.398 3.550 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000472586302 1119983270 /nfs/dbraw/zinc/98/32/70/1119983270.db2.gz OKBROQRPCGJGBR-IAGOWNOFSA-N 1 1 277.383 3.680 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000472586303 1119983802 /nfs/dbraw/zinc/98/38/02/1119983802.db2.gz OKBROQRPCGJGBR-IRXDYDNUSA-N 1 1 277.383 3.680 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000472588110 1119987529 /nfs/dbraw/zinc/98/75/29/1119987529.db2.gz CMVALAIESZONAN-COXVUDFISA-N 1 1 277.383 3.536 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](CCc1nccs1)C(C)C ZINC000186312251 1120020019 /nfs/dbraw/zinc/02/00/19/1120020019.db2.gz YRKWQJNYNCVMTE-UHFFFAOYSA-N 1 1 299.443 3.776 20 30 CHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186315486 1120023651 /nfs/dbraw/zinc/02/36/51/1120023651.db2.gz HXMTYRLFPREWSZ-QGZVFWFLSA-N 1 1 294.402 3.544 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnc(Cl)c1 ZINC000765811211 1120048146 /nfs/dbraw/zinc/04/81/46/1120048146.db2.gz CSVXEGNWJUXIDQ-JTQLQIEISA-N 1 1 289.741 3.597 20 30 CHEDMO CC(=[NH+]Nc1ccccc1)c1ccc(N)cc1Cl ZINC000782894425 1120061148 /nfs/dbraw/zinc/06/11/48/1120061148.db2.gz VKXUEPCIFGNERT-UHFFFAOYSA-N 1 1 259.740 3.758 20 30 CHEDMO Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)C#N)CCS2 ZINC000903101862 1120069909 /nfs/dbraw/zinc/06/99/09/1120069909.db2.gz ODLARFVGNHABJN-CQSZACIVSA-N 1 1 274.433 3.980 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000069610798 1128889320 /nfs/dbraw/zinc/88/93/20/1128889320.db2.gz YJKOHIWZWLJKSQ-ZDUSSCGKSA-N 1 1 251.757 3.585 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000069610798 1128889324 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C[C@@H]1CN(CCCCC#N)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404430218 1120178998 /nfs/dbraw/zinc/17/89/98/1120178998.db2.gz OGSPCNHZCGBZFU-KURKYZTESA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@@H]1CN(CCCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404430218 1120179001 /nfs/dbraw/zinc/17/90/01/1120179001.db2.gz OGSPCNHZCGBZFU-KURKYZTESA-N 1 1 299.462 3.664 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC001168657467 1120191289 /nfs/dbraw/zinc/19/12/89/1120191289.db2.gz OHCDGECKAZBDEN-OAHLLOKOSA-N 1 1 258.390 3.940 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361689521 1120191652 /nfs/dbraw/zinc/19/16/52/1120191652.db2.gz MVAIMOUQSHMPHK-NSHDSACASA-N 1 1 286.375 3.878 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361689521 1120191656 /nfs/dbraw/zinc/19/16/56/1120191656.db2.gz MVAIMOUQSHMPHK-NSHDSACASA-N 1 1 286.375 3.878 20 30 CHEDMO N#CC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000057875688 1120193579 /nfs/dbraw/zinc/19/35/79/1120193579.db2.gz 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C=CCCC[C@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666463 1120792124 /nfs/dbraw/zinc/79/21/24/1120792124.db2.gz YKLQNFQQEYSMOT-YTQUADARSA-N 1 1 287.447 3.829 20 30 CHEDMO C[C@H](c1cccnc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000093235110 1128940935 /nfs/dbraw/zinc/94/09/35/1128940935.db2.gz ZJGIMLFNVUOYFP-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@H](c1cccnc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000093235110 1128940937 /nfs/dbraw/zinc/94/09/37/1128940937.db2.gz ZJGIMLFNVUOYFP-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511894960 1120803570 /nfs/dbraw/zinc/80/35/70/1120803570.db2.gz IXWJHXGDXRSYBP-KZNAEPCWSA-N 1 1 253.389 3.668 20 30 CHEDMO C=CC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C ZINC000661757054 1120809704 /nfs/dbraw/zinc/80/97/04/1120809704.db2.gz CJDNIXYFXZMWAY-UHFFFAOYSA-N 1 1 294.483 3.558 20 30 CHEDMO C=CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C(C)(C)C ZINC000661756785 1120809907 /nfs/dbraw/zinc/80/99/07/1120809907.db2.gz 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C=C(C)C[N@H+](C)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001182977215 1122200480 /nfs/dbraw/zinc/20/04/80/1122200480.db2.gz CDUSMDZVXUFGRB-KRWDZBQOSA-N 1 1 296.455 3.532 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC001183064902 1122204827 /nfs/dbraw/zinc/20/48/27/1122204827.db2.gz AIFOQKVALQOUOW-MRXNPFEDSA-N 1 1 295.430 3.794 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000774592873 1122208531 /nfs/dbraw/zinc/20/85/31/1122208531.db2.gz GNADFOGCNSWYMB-GJZGRUSLSA-N 1 1 296.455 3.578 20 30 CHEDMO Cc1[nH+]ccn1CCCSCc1ccc(C#N)c(C)c1 ZINC001325369338 1122238846 /nfs/dbraw/zinc/23/88/46/1122238846.db2.gz JIFYTJGNGJVAEH-UHFFFAOYSA-N 1 1 285.416 3.695 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001138666392 1129048282 /nfs/dbraw/zinc/04/82/82/1129048282.db2.gz QKGJVCWJPDWZCG-ZBFHGGJFSA-N 1 1 257.377 3.626 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)cs2)CC12CCC2 ZINC000430097438 1122403253 /nfs/dbraw/zinc/40/32/53/1122403253.db2.gz QXFDUJCRZATRLX-CQSZACIVSA-N 1 1 260.406 3.630 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000430095955 1122403172 /nfs/dbraw/zinc/40/31/72/1122403172.db2.gz QOFJNWAKNKLFKG-JKSUJKDBSA-N 1 1 293.357 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cccs1 ZINC000505553491 1122418309 /nfs/dbraw/zinc/41/83/09/1122418309.db2.gz MQLYGKZKADZTLZ-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO C=C[C@@H]1OCC[C@H]1CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000425264634 1122428110 /nfs/dbraw/zinc/42/81/10/1122428110.db2.gz QDQBJLWAVOJMBL-ZFWWWQNUSA-N 1 1 298.386 3.555 20 30 CHEDMO CCCCCCCC[C@@H](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000775144826 1122444095 /nfs/dbraw/zinc/44/40/95/1122444095.db2.gz WZRAPXYZYUGSQA-QGZVFWFLSA-N 1 1 296.499 3.927 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000505664128 1122457348 /nfs/dbraw/zinc/45/73/48/1122457348.db2.gz RJINNZHSFNMGDV-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CC(C)c1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001237463831 1129056498 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CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC1(C#N)CC1 ZINC000425555367 1122550454 /nfs/dbraw/zinc/55/04/54/1122550454.db2.gz YOWIRHAIKGCTSF-UHFFFAOYSA-N 1 1 296.336 3.874 20 30 CHEDMO CCCCC[N@@H+](CCCOC)Cc1cccc(C#N)c1 ZINC000505823090 1122550743 /nfs/dbraw/zinc/55/07/43/1122550743.db2.gz BWHFOWMROPICFU-UHFFFAOYSA-N 1 1 274.408 3.587 20 30 CHEDMO C#CCOCC[N@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001190967156 1122562046 /nfs/dbraw/zinc/56/20/46/1122562046.db2.gz RSGJRGGUEJHXAH-ZDUSSCGKSA-N 1 1 299.336 3.738 20 30 CHEDMO C#CC[NH+](CC#C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001191157189 1122578390 /nfs/dbraw/zinc/57/83/90/1122578390.db2.gz TWCLRVUVJIDHDH-NSHDSACASA-N 1 1 266.171 3.623 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437120864 1122615424 /nfs/dbraw/zinc/61/54/24/1122615424.db2.gz CBOUXSGZNDXKKO-GFCCVEGCSA-N 1 1 294.345 3.782 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)c1C ZINC000437516627 1122638412 /nfs/dbraw/zinc/63/84/12/1122638412.db2.gz 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CCCCCCCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001201804412 1123150186 /nfs/dbraw/zinc/15/01/86/1123150186.db2.gz JLMLZJMEELPFEK-CYBMUJFWSA-N 1 1 281.362 3.594 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001201798231 1123150252 /nfs/dbraw/zinc/15/02/52/1123150252.db2.gz RSYSYWSGJHSEHF-ZDUSSCGKSA-N 1 1 257.418 3.619 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@](F)(CO)CC1 ZINC001201804991 1123151057 /nfs/dbraw/zinc/15/10/57/1123151057.db2.gz XPXCSCQNLSQQBC-OAHLLOKOSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2onc(COC)c2C1 ZINC001201814968 1123151077 /nfs/dbraw/zinc/15/10/77/1123151077.db2.gz UYFJGZAXYHSSTP-UHFFFAOYSA-N 1 1 280.412 3.540 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001201853039 1123152202 /nfs/dbraw/zinc/15/22/02/1123152202.db2.gz YWEFBIDAYDJMSD-KRWDZBQOSA-N 1 1 283.456 3.618 20 30 CHEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001201787980 1123152499 /nfs/dbraw/zinc/15/24/99/1123152499.db2.gz RFCJMPIXVKUCHR-UHFFFAOYSA-N 1 1 284.444 3.510 20 30 CHEDMO CCCCCCCCC[N@H+]1CCn2c(cnc2C)C1 ZINC001201838663 1123154144 /nfs/dbraw/zinc/15/41/44/1123154144.db2.gz BJAWQSNXXRUEBO-UHFFFAOYSA-N 1 1 263.429 3.758 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001201839469 1123154215 /nfs/dbraw/zinc/15/42/15/1123154215.db2.gz FDHSPEZFSWSJKS-MRXNPFEDSA-N 1 1 291.439 3.599 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC001201839745 1123155228 /nfs/dbraw/zinc/15/52/28/1123155228.db2.gz ISPGGZWXFRQWLL-HNNXBMFYSA-N 1 1 261.413 3.974 20 30 CHEDMO CCCCCCCC[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001201840499 1123155330 /nfs/dbraw/zinc/15/53/30/1123155330.db2.gz YHHUIGQRDAVSKN-KRWDZBQOSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCC2(CN(C)C2)C1 ZINC001201874916 1123157009 /nfs/dbraw/zinc/15/70/09/1123157009.db2.gz LGOPURQPHBVQER-UHFFFAOYSA-N 1 1 266.473 3.765 20 30 CHEDMO CCCCCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001201875081 1123157058 /nfs/dbraw/zinc/15/70/58/1123157058.db2.gz OWHVXJNOZJFWTJ-HOTGVXAUSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCCCC[N@@H+]1CCc2nccn2CC1 ZINC001201874792 1123157082 /nfs/dbraw/zinc/15/70/82/1123157082.db2.gz GLCIBIQFDOXEHK-UHFFFAOYSA-N 1 1 277.456 3.882 20 30 CHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001202177887 1123181953 /nfs/dbraw/zinc/18/19/53/1123181953.db2.gz DGVCUGCTTMRMGQ-QGZVFWFLSA-N 1 1 284.403 3.592 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000183820319 1129105043 /nfs/dbraw/zinc/10/50/43/1129105043.db2.gz UFCBOJLYUMRGCL-MRVPVSSYSA-N 1 1 276.689 3.608 20 30 CHEDMO CC#CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000155826229 1129107119 /nfs/dbraw/zinc/10/71/19/1129107119.db2.gz ISISFJXECBMFRH-OAHLLOKOSA-N 1 1 259.418 3.514 20 30 CHEDMO C#Cc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)cc1 ZINC001202474523 1123224800 /nfs/dbraw/zinc/22/48/00/1123224800.db2.gz FCNINCNKNXOWNV-UHFFFAOYSA-N 1 1 271.310 3.544 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001252125341 1123225507 /nfs/dbraw/zinc/22/55/07/1123225507.db2.gz XTVUURMVIHCGPT-QZTJIDSGSA-N 1 1 297.483 3.743 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C=C(C)CC[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000509620187 1123439247 /nfs/dbraw/zinc/43/92/47/1123439247.db2.gz SNSRMLYRXRZLSO-GOSISDBHSA-N 1 1 272.436 3.549 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000853596570 1123444132 /nfs/dbraw/zinc/44/41/32/1123444132.db2.gz JDVCEWPLRQCROW-INIZCTEOSA-N 1 1 283.400 3.564 20 30 CHEDMO CC(C)C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000729542874 1123489522 /nfs/dbraw/zinc/48/95/22/1123489522.db2.gz YXDIRPAXPSIERF-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO CC(C)c1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779810043 1129126688 /nfs/dbraw/zinc/12/66/88/1129126688.db2.gz YHSANZCGOWZQJE-UHFFFAOYSA-N 1 1 295.386 3.616 20 30 CHEDMO c1ccc2c(c1)sc1c2CCCC1=NNc1cc[nH+]cc1 ZINC000779809492 1129126987 /nfs/dbraw/zinc/12/69/87/1129126987.db2.gz YFPRJVIDCKBSNM-UHFFFAOYSA-N 1 1 293.395 3.871 20 30 CHEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000113499244 1123529125 /nfs/dbraw/zinc/52/91/25/1123529125.db2.gz OXMQTHGHEDMZII-UHFFFAOYSA-N 1 1 296.455 3.532 20 30 CHEDMO CCC[N@@H+](CC)Cc1cc(Br)ccc1C#N ZINC001141893777 1123587301 /nfs/dbraw/zinc/58/73/01/1123587301.db2.gz AILKUEKAOJAWMW-UHFFFAOYSA-N 1 1 281.197 3.553 20 30 CHEDMO CC(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCCC1 ZINC000185773000 1123611462 /nfs/dbraw/zinc/61/14/62/1123611462.db2.gz AGIDPVADCXWMJE-KSZLIROESA-N 1 1 291.483 3.559 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC001141956557 1123662775 /nfs/dbraw/zinc/66/27/75/1123662775.db2.gz NAIOWKHEYJJNEB-UHFFFAOYSA-N 1 1 295.382 3.994 20 30 CHEDMO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346159955 1123668909 /nfs/dbraw/zinc/66/89/09/1123668909.db2.gz BOKNZCRTVYTMJV-QWRGUYRKSA-N 1 1 289.379 3.874 20 30 CHEDMO C=CC[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000859350011 1123696052 /nfs/dbraw/zinc/69/60/52/1123696052.db2.gz MUKOPIKFHONDJV-UHFFFAOYSA-N 1 1 296.455 3.530 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000859445033 1123698729 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ZINC000862442158 1123809826 /nfs/dbraw/zinc/80/98/26/1123809826.db2.gz YDBJTNUDKFCATE-GFCCVEGCSA-N 1 1 250.411 3.665 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000862445249 1123812084 /nfs/dbraw/zinc/81/20/84/1123812084.db2.gz PEFXBWDXQYGQSZ-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#CCCCCCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001168058677 1123815030 /nfs/dbraw/zinc/81/50/30/1123815030.db2.gz CNDHYKATOYUWEB-OTWHNJEPSA-N 1 1 290.495 3.907 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)n1 ZINC000186259052 1123820415 /nfs/dbraw/zinc/82/04/15/1123820415.db2.gz ZPWFSYCHVHERNK-IBGZPJMESA-N 1 1 291.398 3.907 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000794461432 1123834424 /nfs/dbraw/zinc/83/44/24/1123834424.db2.gz JPSFNEZMWJAXOM-SFHVURJKSA-N 1 1 278.330 3.552 20 30 CHEDMO C[N@H+]1CCC(N=Nc2nccc3sccc32)CC1(C)C ZINC000863081170 1123842423 /nfs/dbraw/zinc/84/24/23/1123842423.db2.gz AMLBPDMCZYLLIR-UHFFFAOYSA-N 1 1 288.420 3.568 20 30 CHEDMO CC(=[NH+]n1cccn1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000863165778 1123849005 /nfs/dbraw/zinc/84/90/05/1123849005.db2.gz NRNCKNHVHYQDOP-QWHCGFSZSA-N 1 1 259.740 3.564 20 30 CHEDMO C=CC[N@H+](Cc1oc(-c2ccccc2)nc1C)C1CC1 ZINC000639559789 1123850004 /nfs/dbraw/zinc/85/00/04/1123850004.db2.gz SULVLJGGJGKTCY-UHFFFAOYSA-N 1 1 268.360 3.800 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800979 1123855915 /nfs/dbraw/zinc/85/59/15/1123855915.db2.gz ZEOCIMHYOSOKAF-GOSISDBHSA-N 1 1 294.423 3.848 20 30 CHEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000339058399 1123875299 /nfs/dbraw/zinc/87/52/99/1123875299.db2.gz CXFCRLHEDCQEGI-SFHVURJKSA-N 1 1 286.419 3.877 20 30 CHEDMO CSc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)s1 ZINC001142027979 1123950887 /nfs/dbraw/zinc/95/08/87/1123950887.db2.gz YGMHXPYDTZTKAI-NSHDSACASA-N 1 1 266.435 3.596 20 30 CHEDMO CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)C#N ZINC000302036110 1123951422 /nfs/dbraw/zinc/95/14/22/1123951422.db2.gz FOWFMCNSJAHUQM-LLVKDONJSA-N 1 1 253.349 3.677 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000120464846 1123966048 /nfs/dbraw/zinc/96/60/48/1123966048.db2.gz GBBALFFCYKWPLO-CYBMUJFWSA-N 1 1 286.400 3.671 20 30 CHEDMO Cc1csc(C[C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)n1 ZINC000897298746 1123993284 /nfs/dbraw/zinc/99/32/84/1123993284.db2.gz HZNPGOUXAMFMAA-CQSZACIVSA-N 1 1 291.464 3.646 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3C#N)C2)C1 ZINC000428353315 1123996194 /nfs/dbraw/zinc/99/61/94/1123996194.db2.gz UQQUASUMYOUKNE-CXAGYDPISA-N 1 1 272.367 3.709 20 30 CHEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000763650418 1129160119 /nfs/dbraw/zinc/16/01/19/1129160119.db2.gz YUZGDDWGNHHTMX-MRXNPFEDSA-N 1 1 297.446 3.801 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000034991564 1124004674 /nfs/dbraw/zinc/00/46/74/1124004674.db2.gz WZRUCOMOWWKNNA-UHFFFAOYSA-N 1 1 283.371 3.550 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428358459 1124011761 /nfs/dbraw/zinc/01/17/61/1124011761.db2.gz HFQHSGATJZQJGA-ZDUSSCGKSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cccc(C#N)c1O ZINC000866227657 1124039589 /nfs/dbraw/zinc/03/95/89/1124039589.db2.gz BCPKRBJNFZPZIX-ABAIWWIYSA-N 1 1 282.343 3.585 20 30 CHEDMO CCC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866257686 1124042600 /nfs/dbraw/zinc/04/26/00/1124042600.db2.gz HGWWPWMTVYZSTL-CXAGYDPISA-N 1 1 295.386 3.851 20 30 CHEDMO CCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866257688 1124042653 /nfs/dbraw/zinc/04/26/53/1124042653.db2.gz HGWWPWMTVYZSTL-GUYCJALGSA-N 1 1 295.386 3.851 20 30 CHEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)CC1CCCCC1 ZINC000444647985 1124048536 /nfs/dbraw/zinc/04/85/36/1124048536.db2.gz IOSHRXRMBFIWOT-QGZVFWFLSA-N 1 1 281.440 3.598 20 30 CHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C1(C)C ZINC000444641109 1124048981 /nfs/dbraw/zinc/04/89/81/1124048981.db2.gz OSQKGILGSAYAET-GJZGRUSLSA-N 1 1 280.456 3.842 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cc(F)cc(F)c1 ZINC000444702154 1124054837 /nfs/dbraw/zinc/05/48/37/1124054837.db2.gz IACMLHJXUJVIMU-UHFFFAOYSA-N 1 1 290.288 3.608 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cc(F)cc(F)c1 ZINC000444702154 1124054840 /nfs/dbraw/zinc/05/48/40/1124054840.db2.gz IACMLHJXUJVIMU-UHFFFAOYSA-N 1 1 290.288 3.608 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444728427 1124056813 /nfs/dbraw/zinc/05/68/13/1124056813.db2.gz DOTNBZYLQJCGOZ-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444728427 1124056816 /nfs/dbraw/zinc/05/68/16/1124056816.db2.gz DOTNBZYLQJCGOZ-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCCC(C)(C)C#N)ccc1F ZINC000444744213 1124058893 /nfs/dbraw/zinc/05/88/93/1124058893.db2.gz OFCVFMLUCUSHTG-UHFFFAOYSA-N 1 1 262.372 3.896 20 30 CHEDMO COc1ccc2c(c1)C[N@@H+](CCC#N)[C@@H](C1CCCCC1)C2 ZINC000444750931 1124058988 /nfs/dbraw/zinc/05/89/88/1124058988.db2.gz MEUUBSOAZHRMJW-LJQANCHMSA-N 1 1 298.430 3.916 20 30 CHEDMO COc1ccc2c(c1)C[N@H+](CCC#N)[C@@H](C1CCCCC1)C2 ZINC000444750931 1124058993 /nfs/dbraw/zinc/05/89/93/1124058993.db2.gz MEUUBSOAZHRMJW-LJQANCHMSA-N 1 1 298.430 3.916 20 30 CHEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccn1 ZINC000866390656 1124060893 /nfs/dbraw/zinc/06/08/93/1124060893.db2.gz PWABKCGZOZEISA-MRXNPFEDSA-N 1 1 271.408 3.842 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ncccc2C)CCCC1(C)C ZINC000444775013 1124063093 /nfs/dbraw/zinc/06/30/93/1124063093.db2.gz LKLJJWVMBKRIMH-INIZCTEOSA-N 1 1 258.409 3.957 20 30 CHEDMO C=CC[C@H]1[N@H+](CCCSCC#N)CCCC1(C)C ZINC000444775672 1124063246 /nfs/dbraw/zinc/06/32/46/1124063246.db2.gz AODFVDXNGIGSLT-CQSZACIVSA-N 1 1 266.454 3.700 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC12CCC2 ZINC000444783764 1124063842 /nfs/dbraw/zinc/06/38/42/1124063842.db2.gz LOUHZZNRTQQVHD-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC12CCC2 ZINC000444783764 1124063846 /nfs/dbraw/zinc/06/38/46/1124063846.db2.gz LOUHZZNRTQQVHD-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC23CCC3)c(Cl)c1 ZINC000444776419 1124063882 /nfs/dbraw/zinc/06/38/82/1124063882.db2.gz BRMVJOSNZPHCKV-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nc(CC(C)C)no2)CCCC1(C)C ZINC000444788606 1124064854 /nfs/dbraw/zinc/06/48/54/1124064854.db2.gz WYARYARQVNWQGM-AWEZNQCLSA-N 1 1 291.439 3.835 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000428381380 1124069202 /nfs/dbraw/zinc/06/92/02/1124069202.db2.gz OGACFORRAXYOJW-UHFFFAOYSA-N 1 1 277.408 3.738 20 30 CHEDMO Cc1oncc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000445798411 1124101161 /nfs/dbraw/zinc/10/11/61/1124101161.db2.gz HMQLOAJIHHUZPC-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121866329 1124104175 /nfs/dbraw/zinc/10/41/75/1124104175.db2.gz JBZTZQJKNZXDRK-CABCVRRESA-N 1 1 263.381 3.524 20 30 CHEDMO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCc2ccccc21 ZINC000428446111 1124115659 /nfs/dbraw/zinc/11/56/59/1124115659.db2.gz JQVWEMPZRIABLJ-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCc2ccccc21 ZINC000428446111 1124115662 /nfs/dbraw/zinc/11/56/62/1124115662.db2.gz JQVWEMPZRIABLJ-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCC[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000525328811 1124122557 /nfs/dbraw/zinc/12/25/57/1124122557.db2.gz NFQBFHYLRIQXTA-WMZOPIPTSA-N 1 1 272.436 3.720 20 30 CHEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+](CCC#N)CC(C)(C)C ZINC000525328109 1124122609 /nfs/dbraw/zinc/12/26/09/1124122609.db2.gz YHDBJYNCEKACJY-HZPDHXFCSA-N 1 1 280.456 3.843 20 30 CHEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+](CCC#N)CC(C)(C)C ZINC000525328109 1124122611 /nfs/dbraw/zinc/12/26/11/1124122611.db2.gz YHDBJYNCEKACJY-HZPDHXFCSA-N 1 1 280.456 3.843 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccc(OC)c(O)c2)CCCC1(C)C ZINC000446831003 1124124417 /nfs/dbraw/zinc/12/44/17/1124124417.db2.gz ZIKKAVWWRIKDBZ-QGZVFWFLSA-N 1 1 289.419 3.968 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(O)c2OC)CCCC1(C)C ZINC000446829746 1124124498 /nfs/dbraw/zinc/12/44/98/1124124498.db2.gz LDMHLVZMPJQHJN-INIZCTEOSA-N 1 1 289.419 3.968 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1OC ZINC000428456408 1124126554 /nfs/dbraw/zinc/12/65/54/1124126554.db2.gz HSJIRDNSECGNQJ-HOTGVXAUSA-N 1 1 287.403 3.634 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000446974097 1124130221 /nfs/dbraw/zinc/13/02/21/1124130221.db2.gz HAAMAIMJSDUGDU-NSHDSACASA-N 1 1 262.319 3.591 20 30 CHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000447088365 1124132018 /nfs/dbraw/zinc/13/20/18/1124132018.db2.gz FVRDYKKRDXKRKO-CQSZACIVSA-N 1 1 284.428 3.991 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1C#N ZINC001238774943 1131245388 /nfs/dbraw/zinc/24/53/88/1131245388.db2.gz NUPLZGXLWLIULU-KGLIPLIRSA-N 1 1 256.393 3.741 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934246 1131258465 /nfs/dbraw/zinc/25/84/65/1131258465.db2.gz LUVMEHWFPVPZAT-UKRRQHHQSA-N 1 1 288.822 3.823 20 30 CHEDMO C[N@H+](Cc1cc2ccccc2[nH]1)CC1CCC(C#N)CC1 ZINC001119685945 1131261939 /nfs/dbraw/zinc/26/19/39/1131261939.db2.gz UVTDEFKOWGLIGI-UHFFFAOYSA-N 1 1 281.403 3.930 20 30 CHEDMO CC([NH2+]Nc1cc(Cl)nc(Cl)c1)=C1CC1(F)F ZINC000819828508 1131265076 /nfs/dbraw/zinc/26/50/76/1131265076.db2.gz GFEACRFQATYGMS-SSDOTTSWSA-N 1 1 280.105 3.831 20 30 CHEDMO C=CC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447742879 1124519618 /nfs/dbraw/zinc/51/96/18/1124519618.db2.gz RHFOPNGQKKVIHL-UHFFFAOYSA-N 1 1 276.327 3.560 20 30 CHEDMO C[C@H]([N@@H+](CCOCCC#N)Cc1ccccc1)C(C)(C)C ZINC000339097296 1124541617 /nfs/dbraw/zinc/54/16/17/1124541617.db2.gz STJWCYXFXVGPID-INIZCTEOSA-N 1 1 288.435 3.853 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000448455165 1124583266 /nfs/dbraw/zinc/58/32/66/1124583266.db2.gz BUEGCGMPWGPANK-CYBMUJFWSA-N 1 1 285.387 3.858 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000448455165 1124583272 /nfs/dbraw/zinc/58/32/72/1124583272.db2.gz BUEGCGMPWGPANK-CYBMUJFWSA-N 1 1 285.387 3.858 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872067660 1124673588 /nfs/dbraw/zinc/67/35/88/1124673588.db2.gz RJGGWDLUCXLMCH-VOJFVSQTSA-N 1 1 296.345 3.741 20 30 CHEDMO C=C(C)C[N@@H+](CCc1cccc(C)c1)Cc1ccc(CO)o1 ZINC000449321766 1124693246 /nfs/dbraw/zinc/69/32/46/1124693246.db2.gz NDRPRBAAOQHAPC-UHFFFAOYSA-N 1 1 299.414 3.701 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278170 1124700603 /nfs/dbraw/zinc/70/06/03/1124700603.db2.gz IIIQUTFTVWOROB-MRXNPFEDSA-N 1 1 278.440 3.740 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872282164 1124702429 /nfs/dbraw/zinc/70/24/29/1124702429.db2.gz COWICNKESHGPKK-LJQANCHMSA-N 1 1 298.430 3.524 20 30 CHEDMO CCC(CCC(F)(F)F)=[NH+]n1cc(Br)cn1 ZINC000872359763 1124708112 /nfs/dbraw/zinc/70/81/12/1124708112.db2.gz OQIRQNQWBHFNJF-UHFFFAOYSA-N 1 1 298.106 3.602 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000449761940 1124859468 /nfs/dbraw/zinc/85/94/68/1124859468.db2.gz CJAZIMZSQCAHSW-JYYAWHABSA-N 1 1 260.425 3.684 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(C)c2)C1 ZINC001137616666 1124880124 /nfs/dbraw/zinc/88/01/24/1124880124.db2.gz WHXHBCHSMKBDMX-CYBMUJFWSA-N 1 1 292.220 3.603 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125289276 1124881043 /nfs/dbraw/zinc/88/10/43/1124881043.db2.gz HLLICHYNPFJCQZ-KGLIPLIRSA-N 1 1 283.799 3.700 20 30 CHEDMO C#CC[N@H+](C[C@H](C)CCC#N)[C@@H]1CCc2ccccc21 ZINC000876513639 1124956853 /nfs/dbraw/zinc/95/68/53/1124956853.db2.gz OQTGHFJIRWQVGY-CRAIPNDOSA-N 1 1 266.388 3.549 20 30 CHEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CCC1 ZINC000450274610 1124960436 /nfs/dbraw/zinc/96/04/36/1124960436.db2.gz BLIDATYXMNPBDC-OAHLLOKOSA-N 1 1 258.340 3.656 20 30 CHEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CCC1 ZINC000450274610 1124960439 /nfs/dbraw/zinc/96/04/39/1124960439.db2.gz BLIDATYXMNPBDC-OAHLLOKOSA-N 1 1 258.340 3.656 20 30 CHEDMO CC(C)CC[N@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876570045 1124960639 /nfs/dbraw/zinc/96/06/39/1124960639.db2.gz RGJOUSCKPJWVCX-UHFFFAOYSA-N 1 1 277.799 3.617 20 30 CHEDMO CC(C)CC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876570045 1124960645 /nfs/dbraw/zinc/96/06/45/1124960645.db2.gz RGJOUSCKPJWVCX-UHFFFAOYSA-N 1 1 277.799 3.617 20 30 CHEDMO CC[N@H+](CCC#N)Cc1cc2nc(Cl)ccc2s1 ZINC000876563395 1124961770 /nfs/dbraw/zinc/96/17/70/1124961770.db2.gz FYOTWKCHOHMZOJ-UHFFFAOYSA-N 1 1 279.796 3.685 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1cc2nc(Cl)ccc2s1 ZINC000876563395 1124961778 /nfs/dbraw/zinc/96/17/78/1124961778.db2.gz FYOTWKCHOHMZOJ-UHFFFAOYSA-N 1 1 279.796 3.685 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000876690371 1124970859 /nfs/dbraw/zinc/97/08/59/1124970859.db2.gz JQRVHTYKHJUREG-VIFPVBQESA-N 1 1 279.796 3.684 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000876690371 1124970863 /nfs/dbraw/zinc/97/08/63/1124970863.db2.gz JQRVHTYKHJUREG-VIFPVBQESA-N 1 1 279.796 3.684 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)CCc1c(Cl)cccc1Cl ZINC000450340760 1124987455 /nfs/dbraw/zinc/98/74/55/1124987455.db2.gz XLCIVPXBMSPSKN-JTQLQIEISA-N 1 1 271.191 3.627 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC000450340760 1124987458 /nfs/dbraw/zinc/98/74/58/1124987458.db2.gz XLCIVPXBMSPSKN-JTQLQIEISA-N 1 1 271.191 3.627 20 30 CHEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC2(C#N)CCC2)cc1 ZINC000450404803 1125014131 /nfs/dbraw/zinc/01/41/31/1125014131.db2.gz PAXMWVKEAUHOKP-KRWDZBQOSA-N 1 1 268.404 3.696 20 30 CHEDMO N#CC1(C[N@H+]2CCCCC[C@@H]2c2ccco2)CCC1 ZINC000450424780 1125016199 /nfs/dbraw/zinc/01/61/99/1125016199.db2.gz RIGRUBZCQBYAGW-CQSZACIVSA-N 1 1 258.365 3.891 20 30 CHEDMO C=CC[N@@H+](CCc1cscn1)CC1CCCCC1 ZINC000450406088 1125016711 /nfs/dbraw/zinc/01/67/11/1125016711.db2.gz PTLMSRPHEZTKIH-UHFFFAOYSA-N 1 1 264.438 3.754 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)CCCC(=O)c1ccccc1 ZINC000450431328 1125022281 /nfs/dbraw/zinc/02/22/81/1125022281.db2.gz YMZJTALGZOBEAT-UHFFFAOYSA-N 1 1 286.419 3.911 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCCC(=O)c1ccccc1 ZINC000450431328 1125022289 /nfs/dbraw/zinc/02/22/89/1125022289.db2.gz YMZJTALGZOBEAT-UHFFFAOYSA-N 1 1 286.419 3.911 20 30 CHEDMO C=CC[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877426062 1125028253 /nfs/dbraw/zinc/02/82/53/1125028253.db2.gz JELLXKGBPJWMBI-UHFFFAOYSA-N 1 1 252.770 3.568 20 30 CHEDMO Cc1ccc(CC[N@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC001137120468 1125030427 /nfs/dbraw/zinc/03/04/27/1125030427.db2.gz OIPJPTCGKMUEGS-UHFFFAOYSA-N 1 1 294.398 3.572 20 30 CHEDMO C#C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccc(Cl)cc1F ZINC000877517199 1125037837 /nfs/dbraw/zinc/03/78/37/1125037837.db2.gz MGVSXBVTJMASGF-KDDOJWQBSA-N 1 1 287.712 3.787 20 30 CHEDMO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccc(Cl)cc1F ZINC000877517201 1125038438 /nfs/dbraw/zinc/03/84/38/1125038438.db2.gz MGVSXBVTJMASGF-WLTAIBSBSA-N 1 1 287.712 3.787 20 30 CHEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000877523429 1125038536 /nfs/dbraw/zinc/03/85/36/1125038536.db2.gz KLIRMZIHSHCYEO-QGZVFWFLSA-N 1 1 256.393 3.802 20 30 CHEDMO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccc(Cl)cc1F ZINC000877517200 1125039138 /nfs/dbraw/zinc/03/91/38/1125039138.db2.gz MGVSXBVTJMASGF-QWRKXWFKSA-N 1 1 287.712 3.787 20 30 CHEDMO Cc1ccccc1C1([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877605163 1125051453 /nfs/dbraw/zinc/05/14/53/1125051453.db2.gz VWQRNXMSGDAOPM-UHFFFAOYSA-N 1 1 297.789 3.694 20 30 CHEDMO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000877622581 1125055024 /nfs/dbraw/zinc/05/50/24/1125055024.db2.gz QWIQIXHCKZEQCD-HNNXBMFYSA-N 1 1 286.419 3.990 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877624587 1125056414 /nfs/dbraw/zinc/05/64/14/1125056414.db2.gz RAZSULUNZQMLKN-JTQLQIEISA-N 1 1 256.802 3.585 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877624587 1125056424 /nfs/dbraw/zinc/05/64/24/1125056424.db2.gz RAZSULUNZQMLKN-JTQLQIEISA-N 1 1 256.802 3.585 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000450659344 1125080340 /nfs/dbraw/zinc/08/03/40/1125080340.db2.gz HHLWFPLGVJWXQL-LLVKDONJSA-N 1 1 293.208 3.794 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000877812858 1125086308 /nfs/dbraw/zinc/08/63/08/1125086308.db2.gz BPAUJPHDUQNOKV-OAHLLOKOSA-N 1 1 276.449 3.825 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)s1 ZINC000450723895 1125089888 /nfs/dbraw/zinc/08/98/88/1125089888.db2.gz KPMSEWGAMZNGHN-VIFPVBQESA-N 1 1 254.786 3.746 20 30 CHEDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450698050 1125090724 /nfs/dbraw/zinc/09/07/24/1125090724.db2.gz IZXRFDMMIHIDBJ-IUODEOHRSA-N 1 1 292.810 3.699 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877953409 1125105621 /nfs/dbraw/zinc/10/56/21/1125105621.db2.gz MHSPPDAVVUUFLG-CRAIPNDOSA-N 1 1 286.419 3.547 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CC[C@H]1CCCC1(F)F ZINC000878121846 1125122388 /nfs/dbraw/zinc/12/23/88/1125122388.db2.gz OKYOPNQBCKCSSX-CYBMUJFWSA-N 1 1 258.356 3.684 20 30 CHEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000878298213 1125138062 /nfs/dbraw/zinc/13/80/62/1125138062.db2.gz CZMKTEBFMULNAM-FHLIZLRMSA-N 1 1 284.403 3.531 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000878298213 1125138064 /nfs/dbraw/zinc/13/80/64/1125138064.db2.gz CZMKTEBFMULNAM-FHLIZLRMSA-N 1 1 284.403 3.531 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000530971296 1125189305 /nfs/dbraw/zinc/18/93/05/1125189305.db2.gz UZLUMNIBSDGTRE-QZTJIDSGSA-N 1 1 268.404 3.948 20 30 CHEDMO C=CCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000530950219 1125190042 /nfs/dbraw/zinc/19/00/42/1125190042.db2.gz SUFPQGLKFCOLNX-HKUYNNGSSA-N 1 1 286.463 3.938 20 30 CHEDMO C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000879309519 1125207511 /nfs/dbraw/zinc/20/75/11/1125207511.db2.gz OJLHXKVPFKZUTN-FCGDIQPGSA-N 1 1 298.430 3.921 20 30 CHEDMO C[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000879309519 1125207520 /nfs/dbraw/zinc/20/75/20/1125207520.db2.gz OJLHXKVPFKZUTN-FCGDIQPGSA-N 1 1 298.430 3.921 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@]1(C)CC1(Cl)Cl ZINC000879432224 1125214091 /nfs/dbraw/zinc/21/40/91/1125214091.db2.gz GAZSLKGMPAHOSU-AWEZNQCLSA-N 1 1 297.229 3.616 20 30 CHEDMO C[C@@H]1C[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001168138488 1125216572 /nfs/dbraw/zinc/21/65/72/1125216572.db2.gz QGOAPQQJBCCRBD-CZUORRHYSA-N 1 1 292.810 3.623 20 30 CHEDMO C[C@@H]1C[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001168138488 1125216576 /nfs/dbraw/zinc/21/65/76/1125216576.db2.gz QGOAPQQJBCCRBD-CZUORRHYSA-N 1 1 292.810 3.623 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000531426449 1125218160 /nfs/dbraw/zinc/21/81/60/1125218160.db2.gz CRBQPGQTWZNPDM-UHFFFAOYSA-N 1 1 286.444 3.810 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000747 1125244232 /nfs/dbraw/zinc/24/42/32/1125244232.db2.gz KGLFGAVMPURHQQ-FZMZJTMJSA-N 1 1 282.309 3.894 20 30 CHEDMO C=CCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244508 1125245180 /nfs/dbraw/zinc/24/51/80/1125245180.db2.gz XBCZYDXBETYOIB-MOPGFXCFSA-N 1 1 284.447 3.549 20 30 CHEDMO C=CCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244508 1125245185 /nfs/dbraw/zinc/24/51/85/1125245185.db2.gz XBCZYDXBETYOIB-MOPGFXCFSA-N 1 1 284.447 3.549 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880317950 1125264458 /nfs/dbraw/zinc/26/44/58/1125264458.db2.gz UIMMZZZQIHKIOY-DOMZBBRYSA-N 1 1 283.400 3.565 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@H](c3nccs3)C2)CCCCC1 ZINC000880321616 1125265634 /nfs/dbraw/zinc/26/56/34/1125265634.db2.gz YQJJWFWCHGZLNJ-AWEZNQCLSA-N 1 1 289.448 3.797 20 30 CHEDMO C#CCCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880389239 1125271270 /nfs/dbraw/zinc/27/12/70/1125271270.db2.gz VNYQCAFJPCPRNJ-MRXNPFEDSA-N 1 1 259.418 3.580 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000880389970 1125271433 /nfs/dbraw/zinc/27/14/33/1125271433.db2.gz LYZAANCNFCGUQK-MRXNPFEDSA-N 1 1 296.418 3.869 20 30 CHEDMO N#CCC1(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)CC1 ZINC000880539458 1125278748 /nfs/dbraw/zinc/27/87/48/1125278748.db2.gz YYHKMGJFTKHYJD-BBRMVZONSA-N 1 1 252.361 3.615 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000880574847 1125280117 /nfs/dbraw/zinc/28/01/17/1125280117.db2.gz PCSJMHLDGCDDLC-LJQANCHMSA-N 1 1 298.430 3.587 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1 ZINC000756995914 1125304665 /nfs/dbraw/zinc/30/46/65/1125304665.db2.gz MIALDZGOYDXXLE-QGZVFWFLSA-N 1 1 271.310 3.819 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(OCC2CC2)cc1)CC1CC1 ZINC000191324925 1125323865 /nfs/dbraw/zinc/32/38/65/1125323865.db2.gz PSHZLKGAFZIOLE-UHFFFAOYSA-N 1 1 284.403 3.601 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(OCC2CC2)cc1)CC1CC1 ZINC000191324925 1125323869 /nfs/dbraw/zinc/32/38/69/1125323869.db2.gz PSHZLKGAFZIOLE-UHFFFAOYSA-N 1 1 284.403 3.601 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000234007308 1125325443 /nfs/dbraw/zinc/32/54/43/1125325443.db2.gz YPCMRYGQDLSVRV-QMTHXVAHSA-N 1 1 293.208 3.718 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399269248 1125339432 /nfs/dbraw/zinc/33/94/32/1125339432.db2.gz SYFPALAIQJOSJA-KRWDZBQOSA-N 1 1 256.393 3.763 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399000745 1125339490 /nfs/dbraw/zinc/33/94/90/1125339490.db2.gz SCJXUMHNZIUOOJ-KRWDZBQOSA-N 1 1 256.393 3.907 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000051400930 1125354955 /nfs/dbraw/zinc/35/49/55/1125354955.db2.gz IVTXCJXQDLAEKJ-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404103365 1125361390 /nfs/dbraw/zinc/36/13/90/1125361390.db2.gz XJHVDKVGBJSOCC-MRXNPFEDSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(Cl)cc1C#N ZINC000052856799 1125388280 /nfs/dbraw/zinc/38/82/80/1125388280.db2.gz ALMACKNCYMBDRJ-CYBMUJFWSA-N 1 1 291.826 3.888 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000104665232 1125390886 /nfs/dbraw/zinc/39/08/86/1125390886.db2.gz XRELAKGARPSBRZ-UHFFFAOYSA-N 1 1 280.346 3.866 20 30 CHEDMO CC1CCC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001168224456 1125420970 /nfs/dbraw/zinc/42/09/70/1125420970.db2.gz OZOMQTKKYDDEPD-GXOAENINSA-N 1 1 298.430 3.980 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000119909219 1125426971 /nfs/dbraw/zinc/42/69/71/1125426971.db2.gz KNRAEZDWNSQHOJ-HNNXBMFYSA-N 1 1 272.392 3.772 20 30 CHEDMO N#CC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000123686622 1125431765 /nfs/dbraw/zinc/43/17/65/1125431765.db2.gz ZCXVEHCNTIUYPX-UHFFFAOYSA-N 1 1 275.421 3.536 20 30 CHEDMO CC(C)C[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000123606413 1125432172 /nfs/dbraw/zinc/43/21/72/1125432172.db2.gz MWQVGKSIBRQXCO-CQSZACIVSA-N 1 1 254.443 3.534 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC000282862747 1125449836 /nfs/dbraw/zinc/44/98/36/1125449836.db2.gz UTAQYTDDNWIXEF-MRXNPFEDSA-N 1 1 298.434 3.830 20 30 CHEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)CC1CC1 ZINC000125640058 1125450860 /nfs/dbraw/zinc/45/08/60/1125450860.db2.gz JDPSZTCHCIDXBX-UHFFFAOYSA-N 1 1 272.392 3.601 20 30 CHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087771002 1129193258 /nfs/dbraw/zinc/19/32/58/1129193258.db2.gz IJXMWAUMFIDJMP-WMZOPIPTSA-N 1 1 284.403 3.592 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000348053876 1129274871 /nfs/dbraw/zinc/27/48/71/1129274871.db2.gz WXRHQZXXFJADIT-LSDHHAIUSA-N 1 1 263.381 3.645 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639091101 1129280801 /nfs/dbraw/zinc/28/08/01/1129280801.db2.gz LVEWJIWYYLOKBS-UHFFFAOYSA-N 1 1 262.303 3.521 20 30 CHEDMO C[C@@H]([N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)C1(C)CC1 ZINC000246485271 1129284546 /nfs/dbraw/zinc/28/45/46/1129284546.db2.gz OZEYUOBQNSJDCI-UONOGXRCSA-N 1 1 272.392 3.598 20 30 CHEDMO C=CC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)C1CC1 ZINC000639559083 1129323789 /nfs/dbraw/zinc/32/37/89/1129323789.db2.gz LIJLLNPEQVBQMV-UHFFFAOYSA-N 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C=CCCCCC[N@H+](C)C[C@@H](O)c1ccccc1C ZINC000741796062 1129454076 /nfs/dbraw/zinc/45/40/76/1129454076.db2.gz RLTVUXBWLGVIGT-QGZVFWFLSA-N 1 1 261.409 3.707 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000741808746 1129454125 /nfs/dbraw/zinc/45/41/25/1129454125.db2.gz FCULFHBZMKLKQK-ZIAGYGMSSA-N 1 1 271.832 3.799 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000828041025 1131376205 /nfs/dbraw/zinc/37/62/05/1131376205.db2.gz OHDXRRDCUVPRKD-HUUCEWRRSA-N 1 1 263.381 3.524 20 30 CHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)C1CCC1 ZINC000742173856 1129468897 /nfs/dbraw/zinc/46/88/97/1129468897.db2.gz YROAWWCZZIOEIB-UHFFFAOYSA-N 1 1 287.432 3.756 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC000743261744 1129518433 /nfs/dbraw/zinc/51/84/33/1129518433.db2.gz OTDIWQLHYILYBH-IBGZPJMESA-N 1 1 281.399 3.717 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000743854225 1129540194 /nfs/dbraw/zinc/54/01/94/1129540194.db2.gz 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TVGUNLZLGXBJQV-HOJAQTOUSA-N 1 1 298.474 3.843 20 30 CHEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000651815818 1129749635 /nfs/dbraw/zinc/74/96/35/1129749635.db2.gz NZPULHNMFBPEIS-GHMZBOCLSA-N 1 1 297.349 3.721 20 30 CHEDMO Cc1cc(NC23CCC(C#N)(CC2)CC3)c2[nH+]ccn2c1 ZINC001169750586 1129752713 /nfs/dbraw/zinc/75/27/13/1129752713.db2.gz HFXNNRDJQNOYNI-UHFFFAOYSA-N 1 1 280.375 3.671 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169734238 1129753394 /nfs/dbraw/zinc/75/33/94/1129753394.db2.gz TXEQKOLQBFAWJM-HUUCEWRRSA-N 1 1 296.455 3.578 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CCCOc1cccc2ccccc21 ZINC001169843654 1129759957 /nfs/dbraw/zinc/75/99/57/1129759957.db2.gz GVSVQSVJNIURID-HNNXBMFYSA-N 1 1 267.372 3.562 20 30 CHEDMO C=CCCCCC[N@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC001169889409 1129762040 /nfs/dbraw/zinc/76/20/40/1129762040.db2.gz HGVQUWVAXCMWCF-HOTGVXAUSA-N 1 1 253.430 3.870 20 30 CHEDMO C=CCCCCC[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC001169889410 1129762072 /nfs/dbraw/zinc/76/20/72/1129762072.db2.gz HGVQUWVAXCMWCF-HZPDHXFCSA-N 1 1 253.430 3.870 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000766896306 1129769241 /nfs/dbraw/zinc/76/92/41/1129769241.db2.gz ZKOBDSLJRVLRLG-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C#CCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000766920824 1129769918 /nfs/dbraw/zinc/76/99/18/1129769918.db2.gz GSRYGPLCXABOCL-HNNXBMFYSA-N 1 1 268.360 3.768 20 30 CHEDMO C#CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000766906558 1129770403 /nfs/dbraw/zinc/77/04/03/1129770403.db2.gz RMGHNOCQXKJJIM-HOTGVXAUSA-N 1 1 291.460 3.830 20 30 CHEDMO C#CCCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000766906582 1129770667 /nfs/dbraw/zinc/77/06/67/1129770667.db2.gz RSPPWYMYMOTDKX-HNNXBMFYSA-N 1 1 279.836 3.843 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796576096 1129784364 /nfs/dbraw/zinc/78/43/64/1129784364.db2.gz RSPNCMVWLRNNHC-MRXNPFEDSA-N 1 1 286.419 3.847 20 30 CHEDMO C=CCCn1cc(C[NH2+][C@H](CC(C)C)c2ccccc2)nn1 ZINC000653597940 1129787689 /nfs/dbraw/zinc/78/76/89/1129787689.db2.gz GYKXPCHVWCKNLB-GOSISDBHSA-N 1 1 298.434 3.731 20 30 CHEDMO C=CCCCCC[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810626 1129796809 /nfs/dbraw/zinc/79/68/09/1129796809.db2.gz LCMVNSZLFWZONO-UHFFFAOYSA-N 1 1 252.446 3.539 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877774 1129818026 /nfs/dbraw/zinc/81/80/26/1129818026.db2.gz WLYMQZOBXPBROR-AWEZNQCLSA-N 1 1 281.321 3.908 20 30 CHEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000767904930 1129821567 /nfs/dbraw/zinc/82/15/67/1129821567.db2.gz CZSKOWIVYBUJRE-KRWDZBQOSA-N 1 1 286.419 3.990 20 30 CHEDMO CCCCCCCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000767912078 1129822261 /nfs/dbraw/zinc/82/22/61/1129822261.db2.gz MKEYBLWGMDPWEF-GJZGRUSLSA-N 1 1 271.470 3.553 20 30 CHEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000768154384 1129835789 /nfs/dbraw/zinc/83/57/89/1129835789.db2.gz SHTQIUBXXQCYCR-UHFFFAOYSA-N 1 1 296.418 3.757 20 30 CHEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CC(C)C)cc1 ZINC000768154384 1129835794 /nfs/dbraw/zinc/83/57/94/1129835794.db2.gz SHTQIUBXXQCYCR-UHFFFAOYSA-N 1 1 296.418 3.757 20 30 CHEDMO CC(C)C[N@@H+](C/C=C/c1ccc(F)cc1)CCC#N ZINC000768154394 1129836436 /nfs/dbraw/zinc/83/64/36/1129836436.db2.gz SMUXLQFHZAQSGE-HWKANZROSA-N 1 1 260.356 3.711 20 30 CHEDMO CC(C)C[N@H+](C/C=C/c1ccc(F)cc1)CCC#N ZINC000768154394 1129836438 /nfs/dbraw/zinc/83/64/38/1129836438.db2.gz SMUXLQFHZAQSGE-HWKANZROSA-N 1 1 260.356 3.711 20 30 CHEDMO CC(C)[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1 ZINC000723731829 1129851053 /nfs/dbraw/zinc/85/10/53/1129851053.db2.gz AFSIDEDAJZOXTP-UHFFFAOYSA-N 1 1 254.333 3.562 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)CC12CC2 ZINC001139030022 1129855759 /nfs/dbraw/zinc/85/57/59/1129855759.db2.gz CHLMUAHJHMDMGV-CQSZACIVSA-N 1 1 257.377 3.626 20 30 CHEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCC2)cnn1-c1ccccc1 ZINC000828815678 1131402276 /nfs/dbraw/zinc/40/22/76/1131402276.db2.gz BDNMIMTVZLFOCO-CQSZACIVSA-N 1 1 294.402 3.525 20 30 CHEDMO CCC[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC(C)C ZINC000768480126 1129857888 /nfs/dbraw/zinc/85/78/88/1129857888.db2.gz YQIXARLLRGEPDI-UHFFFAOYSA-N 1 1 287.451 3.904 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000768542392 1129862850 /nfs/dbraw/zinc/86/28/50/1129862850.db2.gz SWOYKFGDVIDNCG-UHFFFAOYSA-N 1 1 268.744 3.645 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC=C)C(C)C)cc1OC ZINC000768547941 1129863055 /nfs/dbraw/zinc/86/30/55/1129863055.db2.gz UKUKBJVHHUWAII-UHFFFAOYSA-N 1 1 275.392 3.656 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C(C)C ZINC000768547836 1129863141 /nfs/dbraw/zinc/86/31/41/1129863141.db2.gz RDSVPPIPALWSJY-UHFFFAOYSA-N 1 1 261.394 3.535 20 30 CHEDMO COc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(C#N)c1 ZINC001137704881 1131403950 /nfs/dbraw/zinc/40/39/50/1131403950.db2.gz XXELRCMXSNNMFK-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO COc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c(C#N)c1 ZINC001137704881 1131403953 /nfs/dbraw/zinc/40/39/53/1131403953.db2.gz XXELRCMXSNNMFK-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO CCCC[N@@H+](CCC)Cc1ccc(OC)cc1C#N ZINC001137703929 1131403993 /nfs/dbraw/zinc/40/39/93/1131403993.db2.gz ZFXOPCBWDJONML-UHFFFAOYSA-N 1 1 260.381 3.579 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(C#N)c1 ZINC001137704479 1131404507 /nfs/dbraw/zinc/40/45/07/1131404507.db2.gz HOJVVZOZTPQWGQ-RDTXWAMCSA-N 1 1 284.403 3.721 20 30 CHEDMO CN(C)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1F ZINC000769335931 1129903229 /nfs/dbraw/zinc/90/32/29/1129903229.db2.gz WBWNAJZIPLOPIC-UHFFFAOYSA-N 1 1 291.414 3.653 20 30 CHEDMO CN(C)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1F ZINC000769335931 1129903232 /nfs/dbraw/zinc/90/32/32/1129903232.db2.gz WBWNAJZIPLOPIC-UHFFFAOYSA-N 1 1 291.414 3.653 20 30 CHEDMO C=C1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000769338655 1129903446 /nfs/dbraw/zinc/90/34/46/1129903446.db2.gz NAKVDFCTGVPXBC-UHFFFAOYSA-N 1 1 273.348 3.887 20 30 CHEDMO CC1CCC(C[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000769468600 1129912100 /nfs/dbraw/zinc/91/21/00/1129912100.db2.gz MXYHBJUODSXGPX-UHFFFAOYSA-N 1 1 262.422 3.878 20 30 CHEDMO C#CC[N@@H+](Cc1cnc2ccccc2c1)C1CCCC1 ZINC000769529977 1129915512 /nfs/dbraw/zinc/91/55/12/1129915512.db2.gz JINJUFSPBIAREX-UHFFFAOYSA-N 1 1 264.372 3.613 20 30 CHEDMO C#CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CCCC1 ZINC000769530408 1129915807 /nfs/dbraw/zinc/91/58/07/1129915807.db2.gz NSALFHXEGNJBDA-UHFFFAOYSA-N 1 1 287.451 3.633 20 30 CHEDMO C#CC[N@H+](CCCCC(C)(C)C#N)C1CCCCC1 ZINC000769706612 1129921425 /nfs/dbraw/zinc/92/14/25/1129921425.db2.gz VKWHRKNJIUGIMD-UHFFFAOYSA-N 1 1 260.425 3.974 20 30 CHEDMO C=CCCCC[N@H+](C)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170010364 1129923052 /nfs/dbraw/zinc/92/30/52/1129923052.db2.gz XZHDUUYBWQCUPF-UHFFFAOYSA-N 1 1 268.445 3.685 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000769963645 1129931784 /nfs/dbraw/zinc/93/17/84/1129931784.db2.gz ZNYICDMFFLYWJC-VIFPVBQESA-N 1 1 286.600 3.556 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000769963645 1129931787 /nfs/dbraw/zinc/93/17/87/1129931787.db2.gz ZNYICDMFFLYWJC-VIFPVBQESA-N 1 1 286.600 3.556 20 30 CHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCO[C@@H](C)C#N ZINC000801915213 1129958069 /nfs/dbraw/zinc/95/80/69/1129958069.db2.gz LATMHDCKTPWSPR-CGTJXYLNSA-N 1 1 286.419 3.573 20 30 CHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801922653 1129959110 /nfs/dbraw/zinc/95/91/10/1129959110.db2.gz MUOCNVDWNGJLKA-BQFCYCMXSA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801919369 1129959312 /nfs/dbraw/zinc/95/93/12/1129959312.db2.gz FBOODZXEINHCSN-RDJZCZTQSA-N 1 1 274.408 3.553 20 30 CHEDMO Cc1cccc([C@@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)c1C ZINC000801925156 1129960200 /nfs/dbraw/zinc/96/02/00/1129960200.db2.gz GAQWJPQIPISLFF-YJBOKZPZSA-N 1 1 286.419 3.759 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000801943779 1129962139 /nfs/dbraw/zinc/96/21/39/1129962139.db2.gz HVUFLXULMIRHGN-QXCFHYIPSA-N 1 1 298.430 3.573 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000801943777 1129962367 /nfs/dbraw/zinc/96/23/67/1129962367.db2.gz HVUFLXULMIRHGN-NXWXRZEISA-N 1 1 298.430 3.573 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000801951578 1129963629 /nfs/dbraw/zinc/96/36/29/1129963629.db2.gz XALHTUFZBWGUGY-CZUORRHYSA-N 1 1 292.810 3.796 20 30 CHEDMO C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000771453709 1129980051 /nfs/dbraw/zinc/98/00/51/1129980051.db2.gz FIUGPDLEHNLJHT-HHXXYDBFSA-N 1 1 298.430 3.758 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000771939282 1129996927 /nfs/dbraw/zinc/99/69/27/1129996927.db2.gz PJMDMSKNFZKGSF-KXBFYZLASA-N 1 1 292.382 3.924 20 30 CHEDMO CCC(CC)[C@@H](CC/[NH+]=C\c1ccccc1O)OC ZINC000746522676 1130001923 /nfs/dbraw/zinc/00/19/23/1130001923.db2.gz PKNZJTVFDBKJHI-WISAJEAXSA-N 1 1 263.381 3.652 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(C#N)ccn1 ZINC000902723917 1130045089 /nfs/dbraw/zinc/04/50/89/1130045089.db2.gz TVUJWARFNCSSCQ-QWRGUYRKSA-N 1 1 287.313 3.643 20 30 CHEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902753490 1130051121 /nfs/dbraw/zinc/05/11/21/1130051121.db2.gz QFPSNHODEZHNAL-RYUDHWBXSA-N 1 1 299.349 3.513 20 30 CHEDMO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902806309 1130061453 /nfs/dbraw/zinc/06/14/53/1130061453.db2.gz JUWAKLUGFFRYBL-YOEHRIQHSA-N 1 1 294.402 3.705 20 30 CHEDMO CC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000902852829 1130070530 /nfs/dbraw/zinc/07/05/30/1130070530.db2.gz DBPZRLCIBXHFLO-GOSISDBHSA-N 1 1 299.462 3.862 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCC1 ZINC000903031145 1130102086 /nfs/dbraw/zinc/10/20/86/1130102086.db2.gz IYWNIRCYKBWTAR-AWEZNQCLSA-N 1 1 290.794 3.837 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nccn1C)c1cccc(Cl)c1 ZINC000903088902 1130110618 /nfs/dbraw/zinc/11/06/18/1130110618.db2.gz MPRBLOJERKXXDW-OAHLLOKOSA-N 1 1 289.810 3.871 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100785 1130112435 /nfs/dbraw/zinc/11/24/35/1130112435.db2.gz XRPRFJOLTTURPV-SNVBAGLBSA-N 1 1 265.426 3.775 20 30 CHEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)s1 ZINC000903100184 1130112463 /nfs/dbraw/zinc/11/24/63/1130112463.db2.gz JIJWOEQQVVQCBZ-VIFPVBQESA-N 1 1 256.802 3.992 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(C(F)(F)F)c1O ZINC000903102207 1130112626 /nfs/dbraw/zinc/11/26/26/1130112626.db2.gz UJNXMBGIUVPVIN-VIFPVBQESA-N 1 1 286.297 3.611 20 30 CHEDMO N#CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000903106634 1130113168 /nfs/dbraw/zinc/11/31/68/1130113168.db2.gz TYNJDVVMCSCKAZ-GOSISDBHSA-N 1 1 291.398 3.649 20 30 CHEDMO CCSc1ccccc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106911 1130113347 /nfs/dbraw/zinc/11/33/47/1130113347.db2.gz YKONSMAMDNFACA-LBPRGKRZSA-N 1 1 260.406 3.753 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1C(F)(F)F ZINC000903105917 1130113375 /nfs/dbraw/zinc/11/33/75/1130113375.db2.gz ISWZTWINCPXQNW-SECBINFHSA-N 1 1 286.272 3.799 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000903107774 1130115042 /nfs/dbraw/zinc/11/50/42/1130115042.db2.gz DXRGLHSXIMOXPD-NSHDSACASA-N 1 1 264.319 3.699 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2cnccc2c1 ZINC000787050626 1130127489 /nfs/dbraw/zinc/12/74/89/1130127489.db2.gz RWWQKCNQEGVBDZ-UHFFFAOYSA-N 1 1 267.376 3.606 20 30 CHEDMO COc1ccc2c(c1Cl)[C@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903221671 1130132429 /nfs/dbraw/zinc/13/24/29/1130132429.db2.gz RSXDWLLYUMRDDT-GFCCVEGCSA-N 1 1 292.810 3.865 20 30 CHEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cncs2)c2ccccn21 ZINC000787171547 1130136082 /nfs/dbraw/zinc/13/60/82/1130136082.db2.gz BDIGSXMAMJCAMF-SREVYHEPSA-N 1 1 297.383 3.810 20 30 CHEDMO C=C(Br)C[N@H+](CC)CCc1cccs1 ZINC000746660583 1130138400 /nfs/dbraw/zinc/13/84/00/1130138400.db2.gz YANIYVDKLYPLJX-UHFFFAOYSA-N 1 1 274.227 3.521 20 30 CHEDMO C=C(Br)C[N@@H+](CC)CCc1cccs1 ZINC000746660583 1130138402 /nfs/dbraw/zinc/13/84/02/1130138402.db2.gz YANIYVDKLYPLJX-UHFFFAOYSA-N 1 1 274.227 3.521 20 30 CHEDMO Cc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CCC2)cc1 ZINC000903263310 1130139461 /nfs/dbraw/zinc/13/94/61/1130139461.db2.gz LQRHTLRUGVKGAR-QGZVFWFLSA-N 1 1 297.427 3.954 20 30 CHEDMO CCc1ccc([C@H](CC)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903263978 1130139633 /nfs/dbraw/zinc/13/96/33/1130139633.db2.gz PQFSNROMKZIFLA-HNNXBMFYSA-N 1 1 285.416 3.818 20 30 CHEDMO CC(C)c1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000903263984 1130139755 /nfs/dbraw/zinc/13/97/55/1130139755.db2.gz PUHXLJOEWRKEIN-LBPRGKRZSA-N 1 1 285.416 3.989 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000787308757 1130146208 /nfs/dbraw/zinc/14/62/08/1130146208.db2.gz GEVNMIZCABDELK-GDBMZVCRSA-N 1 1 270.376 3.518 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000787311973 1130146700 /nfs/dbraw/zinc/14/67/00/1130146700.db2.gz ZKWRTVBFPMHGHW-CYBMUJFWSA-N 1 1 281.783 3.595 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787309666 1130147109 /nfs/dbraw/zinc/14/71/09/1130147109.db2.gz KZYBSPLEMDNCOJ-GFCCVEGCSA-N 1 1 280.755 3.789 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCOCC)cc1 ZINC000787310577 1130147272 /nfs/dbraw/zinc/14/72/72/1130147272.db2.gz OXDSCAXVYBDZAM-INIZCTEOSA-N 1 1 275.392 3.600 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000787337848 1130148455 /nfs/dbraw/zinc/14/84/55/1130148455.db2.gz RKTWTDFIXDGNPN-UHFFFAOYSA-N 1 1 285.435 3.801 20 30 CHEDMO CC[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903324774 1130155308 /nfs/dbraw/zinc/15/53/08/1130155308.db2.gz RDNGKABJBNICRB-DLBZAZTESA-N 1 1 292.386 3.540 20 30 CHEDMO CC[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903325295 1130155460 /nfs/dbraw/zinc/15/54/60/1130155460.db2.gz STMNNPAMDNABHB-SJORKVTESA-N 1 1 292.386 3.540 20 30 CHEDMO C[N@H+]1CC[C@@H](c2ccc(-c3cc(F)c(C#N)c(F)c3)cc2)C1 ZINC001239933667 1130157769 /nfs/dbraw/zinc/15/77/69/1130157769.db2.gz CMNXDUDADLNHJQ-CQSZACIVSA-N 1 1 298.336 3.923 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H]1CC ZINC001462124013 1130199820 /nfs/dbraw/zinc/19/98/20/1130199820.db2.gz COLAVNIPNCBIRN-CJNGLKHVSA-N 1 1 291.822 3.972 20 30 CHEDMO CC[N@H+]1CCc2cc(-c3ccc(C#N)c(F)c3)ccc2C1 ZINC001240149833 1130224852 /nfs/dbraw/zinc/22/48/52/1130224852.db2.gz IZCHITXAIMWWQB-UHFFFAOYSA-N 1 1 280.346 3.742 20 30 CHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCCCCCC1 ZINC000748804988 1130247632 /nfs/dbraw/zinc/24/76/32/1130247632.db2.gz JHXOGUMGICGGIQ-UHFFFAOYSA-N 1 1 299.418 3.541 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CCC[C@@H](CC)C2)n1 ZINC000789759201 1130275669 /nfs/dbraw/zinc/27/56/69/1130275669.db2.gz PZWOVEUSJVJDCE-IAGOWNOFSA-N 1 1 287.451 3.555 20 30 CHEDMO Cc1cc(C#N)cc(C2=CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001240386617 1130286144 /nfs/dbraw/zinc/28/61/44/1130286144.db2.gz QDSYIKFIWIIHBS-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO CC[C@@H](C)N[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000790182835 1130295233 /nfs/dbraw/zinc/29/52/33/1130295233.db2.gz LXVPKCSZAFTNAP-SSDOTTSWSA-N 1 1 274.195 3.688 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000678239627 1130379225 /nfs/dbraw/zinc/37/92/25/1130379225.db2.gz KPYSDJVGDRKOOS-QGZVFWFLSA-N 1 1 257.377 3.626 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001170156156 1130381096 /nfs/dbraw/zinc/38/10/96/1130381096.db2.gz AQHLOXHDWRYDJV-KYJSFNMBSA-N 1 1 284.403 3.590 20 30 CHEDMO C=CC[N@H+](Cc1[nH]c(C)cc1C)Cc1ccccc1 ZINC001137331072 1130395434 /nfs/dbraw/zinc/39/54/34/1130395434.db2.gz OCUKXINUYKHRIR-UHFFFAOYSA-N 1 1 254.377 3.820 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)Cc2ccccc21 ZINC000792204902 1130437604 /nfs/dbraw/zinc/43/76/04/1130437604.db2.gz IOGQGSXWRXOGNV-MRXNPFEDSA-N 1 1 261.368 3.657 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccn(CC)c2)cc1 ZINC000792182296 1130437853 /nfs/dbraw/zinc/43/78/53/1130437853.db2.gz BEWPMXUSJXUKII-UHFFFAOYSA-N 1 1 296.414 3.542 20 30 CHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000678714879 1130446659 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CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139009869 1131572986 /nfs/dbraw/zinc/57/29/86/1131572986.db2.gz WBJQVSUYZQKSSY-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001139028886 1131573806 /nfs/dbraw/zinc/57/38/06/1131573806.db2.gz HTEQBIUDDCQHNK-MRXNPFEDSA-N 1 1 263.356 3.575 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001139028886 1131573808 /nfs/dbraw/zinc/57/38/08/1131573808.db2.gz HTEQBIUDDCQHNK-MRXNPFEDSA-N 1 1 263.356 3.575 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001139029696 1131574430 /nfs/dbraw/zinc/57/44/30/1131574430.db2.gz HGNNWOOYDBQDMG-KRWDZBQOSA-N 1 1 294.398 3.636 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001139069110 1131579693 /nfs/dbraw/zinc/57/96/93/1131579693.db2.gz DEHWWDVGHZFMTI-OAHLLOKOSA-N 1 1 280.346 3.838 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001139069110 1131579696 /nfs/dbraw/zinc/57/96/96/1131579696.db2.gz DEHWWDVGHZFMTI-OAHLLOKOSA-N 1 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BQIYTNQBIVJEOM-UHFFFAOYSA-N 1 1 296.418 3.588 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(O)cn1)C1CCCCCCC1 ZINC001144258888 1131606553 /nfs/dbraw/zinc/60/65/53/1131606553.db2.gz HBQRWYHRVXAEAZ-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(O)cn1)C1CCCCCCC1 ZINC001144258888 1131606557 /nfs/dbraw/zinc/60/65/57/1131606557.db2.gz HBQRWYHRVXAEAZ-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@H]4C[C@@H]43)cc2)c1 ZINC001139405826 1131607085 /nfs/dbraw/zinc/60/70/85/1131607085.db2.gz CPZVBSXHZSWBEM-MJGOQNOKSA-N 1 1 289.382 3.605 20 30 CHEDMO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1CC1 ZINC001139424227 1131608258 /nfs/dbraw/zinc/60/82/58/1131608258.db2.gz MYGLDJPSHHPKBC-UHFFFAOYSA-N 1 1 293.370 3.587 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139426709 1131608935 /nfs/dbraw/zinc/60/89/35/1131608935.db2.gz JPKBATUXYGUHKN-AWEZNQCLSA-N 1 1 293.370 3.587 20 30 CHEDMO CCCCCCC[N@H+](CC)Cc1c(N)ncnc1Cl ZINC001139440650 1131609089 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C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1C#N ZINC001139689679 1131629016 /nfs/dbraw/zinc/62/90/16/1131629016.db2.gz JSZFTXUROBWINP-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO N#Cc1cccc2c(C[NH+]3Cc4ccccc4C3)c[nH]c21 ZINC001139701616 1131629667 /nfs/dbraw/zinc/62/96/67/1131629667.db2.gz MMIAZHOHHBSAQZ-UHFFFAOYSA-N 1 1 273.339 3.555 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701595 1131629813 /nfs/dbraw/zinc/62/98/13/1131629813.db2.gz LOTADHUVOGHQQX-CYBMUJFWSA-N 1 1 267.376 3.662 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)cc1C#N ZINC001139728695 1131633337 /nfs/dbraw/zinc/63/33/37/1131633337.db2.gz FRRPEBXEWUKMIV-OAHLLOKOSA-N 1 1 296.414 3.590 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)cc1C#N ZINC001139728695 1131633340 /nfs/dbraw/zinc/63/33/40/1131633340.db2.gz FRRPEBXEWUKMIV-OAHLLOKOSA-N 1 1 296.414 3.590 20 30 CHEDMO C=CCn1cc(C[N@H+](CC)Cc2ccc(Cl)cc2)cn1 ZINC001139772519 1131636451 /nfs/dbraw/zinc/63/64/51/1131636451.db2.gz JUJBWNQRKOJGHJ-UHFFFAOYSA-N 1 1 289.810 3.745 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNC[C@H](C)C1 ZINC001246572801 1131653320 /nfs/dbraw/zinc/65/33/20/1131653320.db2.gz PYYFUBBVLBAQME-JKSUJKDBSA-N 1 1 254.462 3.667 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccccc1-n1ccnc1C ZINC001140026562 1131657754 /nfs/dbraw/zinc/65/77/54/1131657754.db2.gz LZHOINRRKPNRNU-UHFFFAOYSA-N 1 1 283.419 3.969 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc1 ZINC001144578958 1131660784 /nfs/dbraw/zinc/66/07/84/1131660784.db2.gz UIQNAMHFBBODNL-HNNXBMFYSA-N 1 1 261.368 3.615 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)cc1 ZINC001144568460 1131661181 /nfs/dbraw/zinc/66/11/81/1131661181.db2.gz VUVMCXFPNNCQPT-UHFFFAOYSA-N 1 1 261.368 3.535 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115017 1131664942 /nfs/dbraw/zinc/66/49/42/1131664942.db2.gz JSNQTMUDWNOIBO-CYBMUJFWSA-N 1 1 267.376 3.662 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@H](C)C1 ZINC001140115166 1131665043 /nfs/dbraw/zinc/66/50/43/1131665043.db2.gz OXYOMAWNZMMBHM-CHWSQXEVSA-N 1 1 267.376 3.660 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001140110945 1131665311 /nfs/dbraw/zinc/66/53/11/1131665311.db2.gz VJYOHXFYRZJZBC-LSDHHAIUSA-N 1 1 279.387 3.662 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1F ZINC001140128475 1131665448 /nfs/dbraw/zinc/66/54/48/1131665448.db2.gz PIRVEIAWYNDMHO-UHFFFAOYSA-N 1 1 271.335 3.720 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1F ZINC001140128475 1131665449 /nfs/dbraw/zinc/66/54/49/1131665449.db2.gz PIRVEIAWYNDMHO-UHFFFAOYSA-N 1 1 271.335 3.720 20 30 CHEDMO C[N@@H+](Cc1cccs1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114283 1131665571 /nfs/dbraw/zinc/66/55/71/1131665571.db2.gz NCMNHBVWSSWBQW-UHFFFAOYSA-N 1 1 281.384 3.733 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114797 1131665580 /nfs/dbraw/zinc/66/55/80/1131665580.db2.gz ZWUVEOBKPCIYAF-UHFFFAOYSA-N 1 1 289.382 3.980 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4sccc4C3)c2c1 ZINC001140112095 1131665646 /nfs/dbraw/zinc/66/56/46/1131665646.db2.gz HUYMXAZXOBYQGW-UHFFFAOYSA-N 1 1 293.395 3.659 20 30 CHEDMO C=CCN(Cc1[nH+]cn2ccccc12)Cc1ccccc1 ZINC001144624606 1131667485 /nfs/dbraw/zinc/66/74/85/1131667485.db2.gz MTAWGVPFOIKSPQ-UHFFFAOYSA-N 1 1 277.371 3.523 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C)CC1 ZINC001171209154 1131685404 /nfs/dbraw/zinc/68/54/04/1131685404.db2.gz IQQHUIVGYMWKBD-LSDHHAIUSA-N 1 1 256.393 3.611 20 30 CHEDMO CCCCCCC[N@H+](CC)Cc1ccncc1O ZINC001140278402 1131687759 /nfs/dbraw/zinc/68/77/59/1131687759.db2.gz QXFPAMWZHACIHT-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccncc1O ZINC001140278402 1131687762 /nfs/dbraw/zinc/68/77/62/1131687762.db2.gz QXFPAMWZHACIHT-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2scnc2c1 ZINC001144743775 1131704090 /nfs/dbraw/zinc/70/40/90/1131704090.db2.gz YZPYNHCXZPQAIN-ZSOGYDGISA-N 1 1 283.400 3.563 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1 ZINC001171222043 1131707427 /nfs/dbraw/zinc/70/74/27/1131707427.db2.gz ZYGBFISBUVFBHT-INIZCTEOSA-N 1 1 294.398 3.500 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccs1 ZINC001171221680 1131707462 /nfs/dbraw/zinc/70/74/62/1131707462.db2.gz RZQQEAYEFGLMAX-ZDUSSCGKSA-N 1 1 270.401 3.683 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccc(F)cc1 ZINC001171224210 1131708035 /nfs/dbraw/zinc/70/80/35/1131708035.db2.gz PVKCEEKEGBSAPU-OAHLLOKOSA-N 1 1 296.389 3.803 20 30 CHEDMO C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000834895123 1131720106 /nfs/dbraw/zinc/72/01/06/1131720106.db2.gz ZINFXVDHJDXRLR-XVLXNVKGSA-N 1 1 284.447 3.909 20 30 CHEDMO FC(F)(F)c1ccc(N[NH2+]C=C2CC2(F)F)cc1 ZINC000834965347 1131744037 /nfs/dbraw/zinc/74/40/37/1131744037.db2.gz NPQAPCXCMCEASF-MRVPVSSYSA-N 1 1 264.197 3.758 20 30 CHEDMO Cc1cccc(Cl)c1N=NC1CCC[N@H+](C)CC1 ZINC000835012178 1131754915 /nfs/dbraw/zinc/75/49/15/1131754915.db2.gz XTLWAMBXSUQFHP-UHFFFAOYSA-N 1 1 265.788 3.532 20 30 CHEDMO Fc1ccccc1CN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000835010702 1131755572 /nfs/dbraw/zinc/75/55/72/1131755572.db2.gz ILZBICCRDQBSPB-ZDUSSCGKSA-N 1 1 295.361 3.623 20 30 CHEDMO C=CCC[C@H](CC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228091979 1131808126 /nfs/dbraw/zinc/80/81/26/1131808126.db2.gz MEEGRBDYZJGYOM-HNNXBMFYSA-N 1 1 273.376 3.794 20 30 CHEDMO C=CCCC1(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC001147182696 1131815176 /nfs/dbraw/zinc/81/51/76/1131815176.db2.gz KYEVPSWDUCCFAV-HNNXBMFYSA-N 1 1 292.467 3.502 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC001140599470 1131818849 /nfs/dbraw/zinc/81/88/49/1131818849.db2.gz DWIHATVCVUQYMU-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCc3ccccc3C2)c1 ZINC001140599470 1131818859 /nfs/dbraw/zinc/81/88/59/1131818859.db2.gz DWIHATVCVUQYMU-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(C)c1O ZINC001140658822 1131854091 /nfs/dbraw/zinc/85/40/91/1131854091.db2.gz YQLSAWYIZZMDOM-UHFFFAOYSA-N 1 1 272.392 3.667 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1c(C)nn(C)c1C ZINC001203058162 1131862370 /nfs/dbraw/zinc/86/23/70/1131862370.db2.gz KXJRNNREQGZYRP-UHFFFAOYSA-N 1 1 265.445 3.829 20 30 CHEDMO N#CC1CC[NH+](Cc2c(Cl)ncc3ccccc32)CC1 ZINC001140719613 1131892958 /nfs/dbraw/zinc/89/29/58/1131892958.db2.gz GTUVYWUKMPCHOA-UHFFFAOYSA-N 1 1 285.778 3.624 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CCC2)C1 ZINC000348171946 1131897316 /nfs/dbraw/zinc/89/73/16/1131897316.db2.gz WRNINURSMFXHEL-CQSZACIVSA-N 1 1 254.377 3.885 20 30 CHEDMO CC[N@H+]1CC[C@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228564058 1131910903 /nfs/dbraw/zinc/91/09/03/1131910903.db2.gz FQBVANVBYOBYOX-SFHVURJKSA-N 1 1 294.398 3.910 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000773004305 1131916053 /nfs/dbraw/zinc/91/60/53/1131916053.db2.gz KFJSAHPTUNACIB-AWEZNQCLSA-N 1 1 265.784 3.859 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC001140790573 1131919467 /nfs/dbraw/zinc/91/94/67/1131919467.db2.gz BOAGWGIUOTWFMD-UHFFFAOYSA-N 1 1 253.773 3.834 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1OC ZINC000773030853 1131923299 /nfs/dbraw/zinc/92/32/99/1131923299.db2.gz WABWIIJGBDJNCQ-QGZVFWFLSA-N 1 1 298.361 3.947 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)nc1 ZINC000773030554 1131923439 /nfs/dbraw/zinc/92/34/39/1131923439.db2.gz SPSBISXHBGKFSG-JTQLQIEISA-N 1 1 289.741 3.597 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808629 1131932380 /nfs/dbraw/zinc/93/23/80/1131932380.db2.gz XKEKQLYBXXQTCJ-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO C#CC[N@H+](Cc1[nH]cc(C)c1C)[C@@H]1CCc2ccccc21 ZINC001140862711 1131950738 /nfs/dbraw/zinc/95/07/38/1131950738.db2.gz JKOLPIYLKAXUGK-LJQANCHMSA-N 1 1 278.399 3.754 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171387495 1131952833 /nfs/dbraw/zinc/95/28/33/1131952833.db2.gz IDKHMSBCVXZCCA-CQSZACIVSA-N 1 1 265.347 3.720 20 30 CHEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001247622684 1131958546 /nfs/dbraw/zinc/95/85/46/1131958546.db2.gz QLUQLCDIARMKSA-NSHDSACASA-N 1 1 299.708 3.634 20 30 CHEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001247623149 1131960136 /nfs/dbraw/zinc/96/01/36/1131960136.db2.gz YDXMGTXRHYFSOE-GFCCVEGCSA-N 1 1 277.755 3.664 20 30 CHEDMO C=C[C@@H](C#CC(C)(C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228942999 1131982964 /nfs/dbraw/zinc/98/29/64/1131982964.db2.gz CGAPQAREGIROED-KRWDZBQOSA-N 1 1 283.415 3.657 20 30 CHEDMO C=C(C)c1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001229079767 1132012734 /nfs/dbraw/zinc/01/27/34/1132012734.db2.gz ZJXAUEUVQFFCMO-KRWDZBQOSA-N 1 1 259.393 3.971 20 30 CHEDMO C=C(C)c1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001229079768 1132013350 /nfs/dbraw/zinc/01/33/50/1132013350.db2.gz ZJXAUEUVQFFCMO-QGZVFWFLSA-N 1 1 259.393 3.971 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(O)ccc1O ZINC001141158484 1132031688 /nfs/dbraw/zinc/03/16/88/1132031688.db2.gz AWRJYRBMHOGQTO-UHFFFAOYSA-N 1 1 251.370 3.500 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001141166524 1132032356 /nfs/dbraw/zinc/03/23/56/1132032356.db2.gz SWFGLHPDADQGOF-DYVFJYSZSA-N 1 1 272.367 3.852 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC001171491099 1132038464 /nfs/dbraw/zinc/03/84/64/1132038464.db2.gz STTJJJBIWJLGOE-CYBMUJFWSA-N 1 1 295.398 3.792 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC001171573639 1132059986 /nfs/dbraw/zinc/05/99/86/1132059986.db2.gz SGDUDJZEUJVOMC-INIZCTEOSA-N 1 1 271.404 3.567 20 30 CHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001171678072 1132076334 /nfs/dbraw/zinc/07/63/34/1132076334.db2.gz BLCWINYSXFTRIO-AEFFLSMTSA-N 1 1 270.420 3.942 20 30 CHEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCc2ccc(Cl)cc21 ZINC001171718711 1132084984 /nfs/dbraw/zinc/08/49/84/1132084984.db2.gz JWBYGQICFHMGLA-CYBMUJFWSA-N 1 1 288.822 3.995 20 30 CHEDMO C=CCCCC[N@H+](C)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171760524 1132090924 /nfs/dbraw/zinc/09/09/24/1132090924.db2.gz XFURUDOMPGOLFD-HKUYNNGSSA-N 1 1 286.463 3.938 20 30 CHEDMO C=CCCCCN(C)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171760524 1132090931 /nfs/dbraw/zinc/09/09/31/1132090931.db2.gz XFURUDOMPGOLFD-HKUYNNGSSA-N 1 1 286.463 3.938 20 30 CHEDMO C=CCCCCN(C)[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171760524 1132090937 /nfs/dbraw/zinc/09/09/37/1132090937.db2.gz XFURUDOMPGOLFD-HKUYNNGSSA-N 1 1 286.463 3.938 20 30 CHEDMO CCC[C@@H](C)CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001171792629 1132102868 /nfs/dbraw/zinc/10/28/68/1132102868.db2.gz WUXYKTHIBRZLTQ-QAPCUYQASA-N 1 1 288.435 3.740 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC001171841074 1132106677 /nfs/dbraw/zinc/10/66/77/1132106677.db2.gz JORAORUYJKDIRN-BBRMVZONSA-N 1 1 279.811 3.662 20 30 CHEDMO C=CC[N@H+](CCc1ccc2ccccc2c1)[C@@H](C)COC ZINC001171917567 1132110023 /nfs/dbraw/zinc/11/00/23/1132110023.db2.gz ZWVGCKPBAUCMFD-INIZCTEOSA-N 1 1 283.415 3.905 20 30 CHEDMO CC[C@@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984469 1132120132 /nfs/dbraw/zinc/12/01/32/1132120132.db2.gz WBCAAUVKLRZZIP-HKUYNNGSSA-N 1 1 299.462 3.711 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C(F)(F)F)nn1)C1CCCCC1 ZINC001141502483 1132142325 /nfs/dbraw/zinc/14/23/25/1132142325.db2.gz BFVOWAPAPOKBHH-UHFFFAOYSA-N 1 1 299.340 3.816 20 30 CHEDMO CCCC[N@H+](CCC#N)[C@@H]1CSc2ccccc2C1 ZINC001172200887 1132148432 /nfs/dbraw/zinc/14/84/32/1132148432.db2.gz DVYKGIJWHPNKSY-HNNXBMFYSA-N 1 1 274.433 3.719 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CSc2ccccc2C1 ZINC001172200887 1132148434 /nfs/dbraw/zinc/14/84/34/1132148434.db2.gz DVYKGIJWHPNKSY-HNNXBMFYSA-N 1 1 274.433 3.719 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCCC12CC2 ZINC001172310560 1132155276 /nfs/dbraw/zinc/15/52/76/1132155276.db2.gz GGPCFARPYBSMAV-CQSZACIVSA-N 1 1 254.377 3.508 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001172314588 1132156392 /nfs/dbraw/zinc/15/63/92/1132156392.db2.gz KFNUPQJKBJEDOF-SWLSCSKDSA-N 1 1 296.336 3.558 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@](C)(F)CC1 ZINC001172316829 1132157369 /nfs/dbraw/zinc/15/73/69/1132157369.db2.gz YBZUBTCLGXUEAW-PBHICJAKSA-N 1 1 274.383 3.703 20 30 CHEDMO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172335473 1132173578 /nfs/dbraw/zinc/17/35/78/1132173578.db2.gz FDLCEWYKYBOBQK-HUUCEWRRSA-N 1 1 286.419 3.510 20 30 CHEDMO N#CCCOCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839125830 1132183543 /nfs/dbraw/zinc/18/35/43/1132183543.db2.gz KTCHCLZVRJXAFJ-KRWDZBQOSA-N 1 1 284.403 3.534 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2cncnc2C1 ZINC001172358598 1132186888 /nfs/dbraw/zinc/18/68/88/1132186888.db2.gz QUPSPDMYZDRCQQ-OAHLLOKOSA-N 1 1 261.413 3.931 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2cncnc2C1 ZINC001172358598 1132186893 /nfs/dbraw/zinc/18/68/93/1132186893.db2.gz QUPSPDMYZDRCQQ-OAHLLOKOSA-N 1 1 261.413 3.931 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+](C)Cc1noc(C)n1 ZINC001172358344 1132186923 /nfs/dbraw/zinc/18/69/23/1132186923.db2.gz OHAKFNIPGHNSOM-AWEZNQCLSA-N 1 1 267.417 3.949 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+](C)Cc1noc(C)n1 ZINC001172358344 1132186928 /nfs/dbraw/zinc/18/69/28/1132186928.db2.gz OHAKFNIPGHNSOM-AWEZNQCLSA-N 1 1 267.417 3.949 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001172362150 1132189718 /nfs/dbraw/zinc/18/97/18/1132189718.db2.gz SRZSVCUIZNOCLE-PMPSAXMXSA-N 1 1 252.446 3.514 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H]1C ZINC001172364461 1132190939 /nfs/dbraw/zinc/19/09/39/1132190939.db2.gz CCTDDLAWGRLRIG-HBUWYVDXSA-N 1 1 268.404 3.741 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000839648783 1132226995 /nfs/dbraw/zinc/22/69/95/1132226995.db2.gz BVQRESUPQKDQLS-HNNXBMFYSA-N 1 1 277.795 3.593 20 30 CHEDMO C=C(Cl)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000839648783 1132226998 /nfs/dbraw/zinc/22/69/98/1132226998.db2.gz BVQRESUPQKDQLS-HNNXBMFYSA-N 1 1 277.795 3.593 20 30 CHEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000839661523 1132228508 /nfs/dbraw/zinc/22/85/08/1132228508.db2.gz XNRYSVXALXVSIV-GFCCVEGCSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)CCOC(C)C ZINC001172453044 1132237566 /nfs/dbraw/zinc/23/75/66/1132237566.db2.gz CHXZORYMZZIBBJ-MRXNPFEDSA-N 1 1 261.409 3.878 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141739088 1132244499 /nfs/dbraw/zinc/24/44/99/1132244499.db2.gz FALULESAFJBJRJ-MRXNPFEDSA-N 1 1 288.394 3.993 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141739088 1132244504 /nfs/dbraw/zinc/24/45/04/1132244504.db2.gz FALULESAFJBJRJ-MRXNPFEDSA-N 1 1 288.394 3.993 20 30 CHEDMO CC(C)CC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172487671 1132245536 /nfs/dbraw/zinc/24/55/36/1132245536.db2.gz IRLWMONEDLLXBD-GJZGRUSLSA-N 1 1 296.455 3.805 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccccc1Br ZINC001172491978 1132247535 /nfs/dbraw/zinc/24/75/35/1132247535.db2.gz IOEOUTAVYYWKIA-GFCCVEGCSA-N 1 1 295.224 3.963 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001172501363 1132249535 /nfs/dbraw/zinc/24/95/35/1132249535.db2.gz QASGGHIXFYSAIF-DZGCQCFKSA-N 1 1 260.356 3.697 20 30 CHEDMO C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H](C)CCCC#N)n1 ZINC001172499565 1132250390 /nfs/dbraw/zinc/25/03/90/1132250390.db2.gz YHZNKVWQXFUAFG-HOTGVXAUSA-N 1 1 296.418 3.989 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001172503879 1132252664 /nfs/dbraw/zinc/25/26/64/1132252664.db2.gz BXJRGYWJMGHZLZ-IKGGRYGDSA-N 1 1 294.483 3.536 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001172504016 1132252775 /nfs/dbraw/zinc/25/27/75/1132252775.db2.gz DRGJPBXZYMDKES-DOTOQJQBSA-N 1 1 272.392 3.612 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1ccccc1Cl ZINC001172504265 1132253307 /nfs/dbraw/zinc/25/33/07/1132253307.db2.gz FMRHVBOLIKHEFQ-LBPRGKRZSA-N 1 1 250.773 3.854 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001172504658 1132253879 /nfs/dbraw/zinc/25/38/79/1132253879.db2.gz HPOBOWSTAWJEEJ-WMLDXEAASA-N 1 1 274.383 3.915 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001172505034 1132254412 /nfs/dbraw/zinc/25/44/12/1132254412.db2.gz IZGZSVHFZHJJJQ-SJLPKXTDSA-N 1 1 294.483 3.728 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001172506948 1132255468 /nfs/dbraw/zinc/25/54/68/1132255468.db2.gz MKABYJKRDMDMBX-GOEBONIOSA-N 1 1 289.448 3.720 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001172508279 1132255875 /nfs/dbraw/zinc/25/58/75/1132255875.db2.gz IHBXAHQXRGZOCL-AEFFLSMTSA-N 1 1 294.483 3.728 20 30 CHEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172506780 1132255991 /nfs/dbraw/zinc/25/59/91/1132255991.db2.gz JAFBTHFQGQDQPB-HZPDHXFCSA-N 1 1 272.392 3.531 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001172507110 1132256517 /nfs/dbraw/zinc/25/65/17/1132256517.db2.gz PEMNVYGUNLFUDR-HOCLYGCPSA-N 1 1 274.433 3.859 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001172507877 1132256528 /nfs/dbraw/zinc/25/65/28/1132256528.db2.gz CJWJSMNMFQUFKJ-KSZLIROESA-N 1 1 299.499 3.581 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172509765 1132256929 /nfs/dbraw/zinc/25/69/29/1132256929.db2.gz QDRWRKIRVSMHGE-HKUYNNGSSA-N 1 1 299.462 3.665 20 30 CHEDMO CCCCCCCCCCCC[C@H](C)[NH2+]C[C@@H](O)CN ZINC001172564528 1132269607 /nfs/dbraw/zinc/26/96/07/1132269607.db2.gz IEDHIYHXCZTFQF-IRXDYDNUSA-N 1 1 286.504 3.595 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141939902 1132270841 /nfs/dbraw/zinc/27/08/41/1132270841.db2.gz VPRZQOLLVRAGEB-OAHLLOKOSA-N 1 1 289.448 3.830 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001231442376 1132294129 /nfs/dbraw/zinc/29/41/29/1132294129.db2.gz LYMYNFYUBNMFMP-MRXNPFEDSA-N 1 1 292.426 3.751 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001231432011 1132294802 /nfs/dbraw/zinc/29/48/02/1132294802.db2.gz 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C#C[C@@H](Oc1cccnc1C[NH+](C)C)[C@H](CC)CCCC ZINC001225278719 1135533720 /nfs/dbraw/zinc/53/37/20/1135533720.db2.gz PSPXJGGMWNDKFY-NVXWUHKLSA-N 1 1 288.435 3.740 20 30 CHEDMO N#C[C@H](Oc1cc(N)[nH+]c2ccccc21)c1ccccc1F ZINC001226421391 1135694930 /nfs/dbraw/zinc/69/49/30/1135694930.db2.gz FCSICJCLIBKAMY-INIZCTEOSA-N 1 1 293.301 3.600 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000351980395 529448263 /nfs/dbraw/zinc/44/82/63/529448263.db2.gz DOWABJGGQNYMFC-ZDUSSCGKSA-N 1 1 255.365 3.567 20 30 CHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347248896 529523592 /nfs/dbraw/zinc/52/35/92/529523592.db2.gz FTKRFBLHQGZCQF-KRWDZBQOSA-N 1 1 272.392 3.579 20 30 CHEDMO CCc1ccc(C(C)(C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352812025 529618112 /nfs/dbraw/zinc/61/81/12/529618112.db2.gz VUUQZHAFNXWSOC-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO CCc1nc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cs1 ZINC000353429991 529747011 /nfs/dbraw/zinc/74/70/11/529747011.db2.gz VLAAKQCRGVEKPF-XHDPSFHLSA-N 1 1 297.427 3.915 20 30 CHEDMO CCc1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000344830939 529757190 /nfs/dbraw/zinc/75/71/90/529757190.db2.gz SUYVTZDYAAVDKT-OAHLLOKOSA-N 1 1 285.416 3.840 20 30 CHEDMO C[N@@H+](CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000354876249 529885085 /nfs/dbraw/zinc/88/50/85/529885085.db2.gz XGFDRBRAIDJPRZ-UHFFFAOYSA-N 1 1 274.408 3.585 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc21 ZINC000352865625 529993282 /nfs/dbraw/zinc/99/32/82/529993282.db2.gz CXUZHONYAQKHPC-KRWDZBQOSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000574530192 335027586 /nfs/dbraw/zinc/02/75/86/335027586.db2.gz RUIRESCLNFMZPN-HNNXBMFYSA-N 1 1 256.393 3.916 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000186636728 262103401 /nfs/dbraw/zinc/10/34/01/262103401.db2.gz NOCJDBXRVPJIIZ-GFCCVEGCSA-N 1 1 295.477 3.563 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000186636728 262103404 /nfs/dbraw/zinc/10/34/04/262103404.db2.gz NOCJDBXRVPJIIZ-GFCCVEGCSA-N 1 1 295.477 3.563 20 30 CHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000575028028 335057073 /nfs/dbraw/zinc/05/70/73/335057073.db2.gz OHIIDBGXNLXDKR-WBVHZDCISA-N 1 1 296.418 3.607 20 30 CHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000575028025 335057090 /nfs/dbraw/zinc/05/70/90/335057090.db2.gz OHIIDBGXNLXDKR-DOTOQJQBSA-N 1 1 296.418 3.607 20 30 CHEDMO CCC(CC)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000575042942 335058222 /nfs/dbraw/zinc/05/82/22/335058222.db2.gz VIJMKPHDOOXJEJ-UHFFFAOYSA-N 1 1 260.356 3.850 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000179490924 260051214 /nfs/dbraw/zinc/05/12/14/260051214.db2.gz DZKXTLGAIQVOHL-GFCCVEGCSA-N 1 1 268.385 3.739 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000347236054 533494845 /nfs/dbraw/zinc/49/48/45/533494845.db2.gz OGZHIKWVMVRVAX-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO COc1ccc(C[N@@H+](CCCCC#N)C(C)(C)C)cc1 ZINC000344276705 533548356 /nfs/dbraw/zinc/54/83/56/533548356.db2.gz DRRGXCLMDVPDNN-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)ccc1C#N ZINC000335996964 533607181 /nfs/dbraw/zinc/60/71/81/533607181.db2.gz JXHGMYBJZCHOII-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)ccc1C#N ZINC000335959026 533608011 /nfs/dbraw/zinc/60/80/11/533608011.db2.gz DLZMNOOKLQNKBZ-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000347218033 533634553 /nfs/dbraw/zinc/63/45/53/533634553.db2.gz HPIAXWPTXIBXBQ-KUHUBIRLSA-N 1 1 291.398 3.845 20 30 CHEDMO CCC(CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020202029 171066013 /nfs/dbraw/zinc/06/60/13/171066013.db2.gz OLTVQVAOOFWSPS-KBXCAEBGSA-N 1 1 287.451 3.575 20 30 CHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000020261070 171118074 /nfs/dbraw/zinc/11/80/74/171118074.db2.gz WGCANYONBGZTDO-UHFFFAOYSA-N 1 1 299.418 3.541 20 30 CHEDMO C[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000339128058 262600908 /nfs/dbraw/zinc/60/09/08/262600908.db2.gz ORQJFZMXEMKNAW-MFKMUULPSA-N 1 1 266.747 3.603 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000071016093 176021498 /nfs/dbraw/zinc/02/14/98/176021498.db2.gz HLPVEFIKKMMRMO-UHFFFAOYSA-N 1 1 270.298 3.831 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000344421527 225052998 /nfs/dbraw/zinc/05/29/98/225052998.db2.gz ZVLPICYLLWXMCL-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000334770015 225315881 /nfs/dbraw/zinc/31/58/81/225315881.db2.gz BBKOCXFUSWPKQU-HUUCEWRRSA-N 1 1 269.392 3.699 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000347565513 226194976 /nfs/dbraw/zinc/19/49/76/226194976.db2.gz HZLHMKUOJSNIEJ-IBGZPJMESA-N 1 1 296.414 3.607 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1F ZINC000191890306 227203568 /nfs/dbraw/zinc/20/35/68/227203568.db2.gz BXTUMMJEZPKYAP-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO Cc1cc[nH+]c(NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000352819172 227256404 /nfs/dbraw/zinc/25/64/04/227256404.db2.gz AAAVGKPWQPLECM-UHFFFAOYSA-N 1 1 291.276 3.893 20 30 CHEDMO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC000329205399 227352068 /nfs/dbraw/zinc/35/20/68/227352068.db2.gz DJOJXELZUSVULU-MRXNPFEDSA-N 1 1 297.402 3.616 20 30 CHEDMO C[C@H](C1CC1)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356064410 228107126 /nfs/dbraw/zinc/10/71/26/228107126.db2.gz NVNGTZAGDBXVIF-CYBMUJFWSA-N 1 1 297.427 3.815 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356064410 228107128 /nfs/dbraw/zinc/10/71/28/228107128.db2.gz NVNGTZAGDBXVIF-CYBMUJFWSA-N 1 1 297.427 3.815 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000356107486 228122870 /nfs/dbraw/zinc/12/28/70/228122870.db2.gz DBFYFIVGMUMICH-HNNXBMFYSA-N 1 1 289.448 3.950 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000356107486 228122872 /nfs/dbraw/zinc/12/28/72/228122872.db2.gz DBFYFIVGMUMICH-HNNXBMFYSA-N 1 1 289.448 3.950 20 30 CHEDMO Cn1c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2[nH+]c1C1CC1 ZINC000333076539 228189459 /nfs/dbraw/zinc/18/94/59/228189459.db2.gz LFUBFPMKGDXXLB-WCQYABFASA-N 1 1 280.375 3.555 20 30 CHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCCC#N ZINC000352250295 228206720 /nfs/dbraw/zinc/20/67/20/228206720.db2.gz GAOQRAMZGDCCNR-HOCLYGCPSA-N 1 1 272.392 3.772 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)o1 ZINC000180151235 260094544 /nfs/dbraw/zinc/09/45/44/260094544.db2.gz ZZBFTFQBWXBRJI-MRXNPFEDSA-N 1 1 280.371 3.748 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000037505866 260113559 /nfs/dbraw/zinc/11/35/59/260113559.db2.gz DXUFANVQVZFWOC-UHFFFAOYSA-N 1 1 274.726 3.641 20 30 CHEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nnc(C)o1 ZINC000298825453 260164039 /nfs/dbraw/zinc/16/40/39/260164039.db2.gz BJFSHDFIAOFPCR-GFCCVEGCSA-N 1 1 263.385 3.507 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nnc(C)o1 ZINC000298825453 260164041 /nfs/dbraw/zinc/16/40/41/260164041.db2.gz BJFSHDFIAOFPCR-GFCCVEGCSA-N 1 1 263.385 3.507 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000080263182 260179014 /nfs/dbraw/zinc/17/90/14/260179014.db2.gz WUNXFDASIRNNBP-BXUZGUMPSA-N 1 1 271.389 3.817 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000080263172 260179107 /nfs/dbraw/zinc/17/91/07/260179107.db2.gz WUNXFDASIRNNBP-FZMZJTMJSA-N 1 1 271.389 3.817 20 30 CHEDMO Cc1csc([C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000086038562 260206451 /nfs/dbraw/zinc/20/64/51/260206451.db2.gz VILZPXMFKLTVEV-BZOOQXSSSA-N 1 1 297.427 3.726 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000054182203 260216970 /nfs/dbraw/zinc/21/69/70/260216970.db2.gz PAEAUTTWIOZTIC-SNVBAGLBSA-N 1 1 257.164 3.775 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CCCCC1 ZINC000087833104 260232818 /nfs/dbraw/zinc/23/28/18/260232818.db2.gz ZDKNYSXLRRDYLY-UHFFFAOYSA-N 1 1 272.392 3.721 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCCSCC#N)C1 ZINC000074991727 260289117 /nfs/dbraw/zinc/28/91/17/260289117.db2.gz ISSXAGRCZQSGRG-CZUORRHYSA-N 1 1 292.423 3.855 20 30 CHEDMO C=C[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449192881 260289227 /nfs/dbraw/zinc/28/92/27/260289227.db2.gz RSMTYUQIZYBPAC-CQSZACIVSA-N 1 1 266.473 3.830 20 30 CHEDMO CCOC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000313468140 260297382 /nfs/dbraw/zinc/29/73/82/260297382.db2.gz JKPMBBPWLPLDNF-HNNXBMFYSA-N 1 1 266.429 3.597 20 30 CHEDMO COc1cc(C[N@H+](CCC#N)CC2CC2)ccc1SC ZINC000081044060 260329555 /nfs/dbraw/zinc/32/95/55/260329555.db2.gz VLJKFXSQISNFCE-UHFFFAOYSA-N 1 1 290.432 3.543 20 30 CHEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1SC ZINC000081044060 260329557 /nfs/dbraw/zinc/32/95/57/260329557.db2.gz VLJKFXSQISNFCE-UHFFFAOYSA-N 1 1 290.432 3.543 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(C#N)cc1 ZINC000126070608 260345175 /nfs/dbraw/zinc/34/51/75/260345175.db2.gz CHJXIJYOHJZSHF-CQSZACIVSA-N 1 1 294.402 3.721 20 30 CHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000130290923 260394723 /nfs/dbraw/zinc/39/47/23/260394723.db2.gz OIPKWZXRTOTBEI-LBPRGKRZSA-N 1 1 284.359 3.628 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000130426967 260395653 /nfs/dbraw/zinc/39/56/53/260395653.db2.gz JZWQAGXFBASELL-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000130426967 260395654 /nfs/dbraw/zinc/39/56/54/260395654.db2.gz JZWQAGXFBASELL-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO CC[N@@H+](C[C@H](OC(C)C)c1ccccc1)C[C@H](C)C#N ZINC000428424821 260570962 /nfs/dbraw/zinc/57/09/62/260570962.db2.gz SRGJMRJOZCYMRX-WBVHZDCISA-N 1 1 274.408 3.634 20 30 CHEDMO CC[N@H+](C[C@H](OC(C)C)c1ccccc1)C[C@H](C)C#N ZINC000428424821 260570964 /nfs/dbraw/zinc/57/09/64/260570964.db2.gz SRGJMRJOZCYMRX-WBVHZDCISA-N 1 1 274.408 3.634 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000444718435 261124413 /nfs/dbraw/zinc/12/44/13/261124413.db2.gz VOTJJNLERHLPHA-UHFFFAOYSA-N 1 1 282.362 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ZINC000464812461 331369413 /nfs/dbraw/zinc/36/94/13/331369413.db2.gz KTALXDLCGMKWAQ-KZNAEPCWSA-N 1 1 266.388 3.867 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCC1 ZINC000464822758 331369731 /nfs/dbraw/zinc/36/97/31/331369731.db2.gz NXTZMZOCGLSPAP-DLBZAZTESA-N 1 1 254.377 3.558 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464843346 331370747 /nfs/dbraw/zinc/37/07/47/331370747.db2.gz TXBPNAVCCKRESD-KRWDZBQOSA-N 1 1 272.436 3.549 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(Cl)cc1C#N ZINC000480780611 331788203 /nfs/dbraw/zinc/78/82/03/331788203.db2.gz OHUDNRBEYHWUQF-VXGBXAGGSA-N 1 1 262.784 3.975 20 30 CHEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000488300134 331998324 /nfs/dbraw/zinc/99/83/24/331998324.db2.gz OMWGPRMRJCMLQV-UHFFFAOYSA-N 1 1 285.416 3.657 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000489410702 332050612 /nfs/dbraw/zinc/05/06/12/332050612.db2.gz ZGQBXPNRIOMAMW-OAHLLOKOSA-N 1 1 286.419 3.789 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000489410702 332050613 /nfs/dbraw/zinc/05/06/13/332050613.db2.gz ZGQBXPNRIOMAMW-OAHLLOKOSA-N 1 1 286.419 3.789 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000489471255 332054491 /nfs/dbraw/zinc/05/44/91/332054491.db2.gz GUUDDCMGWBJRBR-AWEZNQCLSA-N 1 1 292.329 3.700 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000489471255 332054492 /nfs/dbraw/zinc/05/44/92/332054492.db2.gz GUUDDCMGWBJRBR-AWEZNQCLSA-N 1 1 292.329 3.700 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(CC)cc2)no1 ZINC000489493991 332056254 /nfs/dbraw/zinc/05/62/54/332056254.db2.gz ISAFXILXXQELCX-MRXNPFEDSA-N 1 1 297.402 3.840 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(CC)cc2)no1 ZINC000489493991 332056255 /nfs/dbraw/zinc/05/62/55/332056255.db2.gz ISAFXILXXQELCX-MRXNPFEDSA-N 1 1 297.402 3.840 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000489499399 332057021 /nfs/dbraw/zinc/05/70/21/332057021.db2.gz NWFGMIAZNNVPJX-AWEZNQCLSA-N 1 1 285.416 3.746 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000489499399 332057022 /nfs/dbraw/zinc/05/70/22/332057022.db2.gz NWFGMIAZNNVPJX-AWEZNQCLSA-N 1 1 285.416 3.746 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000489506537 332057167 /nfs/dbraw/zinc/05/71/67/332057167.db2.gz HMFJJAYKNWOAAW-AWEZNQCLSA-N 1 1 275.783 3.528 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000489506537 332057169 /nfs/dbraw/zinc/05/71/69/332057169.db2.gz HMFJJAYKNWOAAW-AWEZNQCLSA-N 1 1 275.783 3.528 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000489515481 332057951 /nfs/dbraw/zinc/05/79/51/332057951.db2.gz RQJCZGBIVNJJPI-OAHLLOKOSA-N 1 1 259.397 3.539 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000489515481 332057952 /nfs/dbraw/zinc/05/79/52/332057952.db2.gz RQJCZGBIVNJJPI-OAHLLOKOSA-N 1 1 259.397 3.539 20 30 CHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C1(C)CCCC1 ZINC000489822892 332069154 /nfs/dbraw/zinc/06/91/54/332069154.db2.gz CDRKGLZBMUQJRL-UHFFFAOYSA-N 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333012761 /nfs/dbraw/zinc/01/27/61/333012761.db2.gz HXBVQIWXUDOLON-LBPRGKRZSA-N 1 1 251.757 3.586 20 30 CHEDMO CC[N@H+](CCSc1ccc(C)c(C)c1)C[C@H](C)C#N ZINC000513437652 333019231 /nfs/dbraw/zinc/01/92/31/333019231.db2.gz FDLLJUZXWRIEFP-CYBMUJFWSA-N 1 1 276.449 3.877 20 30 CHEDMO CC[N@@H+](CCSc1ccc(C)c(C)c1)C[C@H](C)C#N ZINC000513437652 333019232 /nfs/dbraw/zinc/01/92/32/333019232.db2.gz FDLLJUZXWRIEFP-CYBMUJFWSA-N 1 1 276.449 3.877 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000513498633 333022898 /nfs/dbraw/zinc/02/28/98/333022898.db2.gz BFAYBKOAAKFRAO-XDNAFOTISA-N 1 1 279.468 3.994 20 30 CHEDMO COc1ccc(C[N@@H+](Cc2ccccc2)C(C)C)cc1C#N ZINC000309566310 333045778 /nfs/dbraw/zinc/04/57/78/333045778.db2.gz FWMYVJMTKTYHDO-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO CCC[N@@H+](CCSC(C)C)Cc1ccc(C#N)cc1 ZINC000513971113 333056920 /nfs/dbraw/zinc/05/69/20/333056920.db2.gz DFSGPWLEKQEIBB-UHFFFAOYSA-N 1 1 276.449 3.912 20 30 CHEDMO C=CCOCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516866790 333084615 /nfs/dbraw/zinc/08/46/15/333084615.db2.gz PTLGUSOZPTXLOJ-KRWDZBQOSA-N 1 1 291.460 3.587 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)c1F ZINC000218718085 333135377 /nfs/dbraw/zinc/13/53/77/333135377.db2.gz FZSQPWGZOZMZRL-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)c1F ZINC000218718085 333135378 /nfs/dbraw/zinc/13/53/78/333135378.db2.gz FZSQPWGZOZMZRL-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)c1 ZINC000219208616 333144318 /nfs/dbraw/zinc/14/43/18/333144318.db2.gz OLPVMPWUEOUTPC-UHFFFAOYSA-N 1 1 262.784 3.774 20 30 CHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000185667993 333146267 /nfs/dbraw/zinc/14/62/67/333146267.db2.gz WAAWOIZTKOIXOH-GOSISDBHSA-N 1 1 280.371 3.748 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1cncs1)c1ccc(F)c(F)c1 ZINC000187368762 333169665 /nfs/dbraw/zinc/16/96/65/333169665.db2.gz BDCVCEKHGVOEFD-CQSZACIVSA-N 1 1 280.343 3.828 20 30 CHEDMO N#Cc1csc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000521647487 333181133 /nfs/dbraw/zinc/18/11/33/333181133.db2.gz AYLDMEQHCOEDCM-MRXNPFEDSA-N 1 1 286.375 3.690 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000521647487 333181134 /nfs/dbraw/zinc/18/11/34/333181134.db2.gz AYLDMEQHCOEDCM-MRXNPFEDSA-N 1 1 286.375 3.690 20 30 CHEDMO CS[C@H]1CCCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000189965271 333201246 /nfs/dbraw/zinc/20/12/46/333201246.db2.gz QPYCFJWFSODMTD-CJNGLKHVSA-N 1 1 274.433 3.837 20 30 CHEDMO CC1(C)C[N@@H+](CCCSCC#N)CC[C@@H]1C(F)(F)F ZINC000190204839 333204594 /nfs/dbraw/zinc/20/45/94/333204594.db2.gz LEISNHSENOTVOX-NSHDSACASA-N 1 1 294.386 3.544 20 30 CHEDMO CCCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191771790 333225178 /nfs/dbraw/zinc/22/51/78/333225178.db2.gz MDJAUVNGBVCPGZ-UHFFFAOYSA-N 1 1 281.197 3.553 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCCC[C@H]1C ZINC000522035538 333231127 /nfs/dbraw/zinc/23/11/27/333231127.db2.gz XZLQCIGMXPEUDB-CVEARBPZSA-N 1 1 291.435 3.976 20 30 CHEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000229413801 333304662 /nfs/dbraw/zinc/30/46/62/333304662.db2.gz XSNJJZJFPYZTRI-JHJVBQTASA-N 1 1 260.356 3.564 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229750920 333309091 /nfs/dbraw/zinc/30/90/91/333309091.db2.gz CCDOSWGYPDKUKM-HNNXBMFYSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cccc(C#N)c1 ZINC000523449704 333327785 /nfs/dbraw/zinc/32/77/85/333327785.db2.gz SWHCXAUPWOHLNK-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000523449704 333327786 /nfs/dbraw/zinc/32/77/86/333327786.db2.gz SWHCXAUPWOHLNK-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCNC(=O)C[N@H+](CCCC)[C@@H](CC)c1ccccc1 ZINC000303670955 333345230 /nfs/dbraw/zinc/34/52/30/333345230.db2.gz YPQRSCDCYDNPQH-KRWDZBQOSA-N 1 1 288.435 3.542 20 30 CHEDMO C=CCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000524766646 333387382 /nfs/dbraw/zinc/38/73/82/333387382.db2.gz HHUXDZJGUPNPFO-SFHVURJKSA-N 1 1 273.420 3.595 20 30 CHEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1F ZINC000528658142 333451064 /nfs/dbraw/zinc/45/10/64/333451064.db2.gz LSMHHTDFLCSOBZ-SFHVURJKSA-N 1 1 295.361 3.723 20 30 CHEDMO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(C#N)cc1 ZINC000328282761 333507291 /nfs/dbraw/zinc/50/72/91/333507291.db2.gz ZEMAZPAROWJSBE-LLVKDONJSA-N 1 1 286.762 3.768 20 30 CHEDMO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C#N)o1 ZINC000174254269 335151428 /nfs/dbraw/zinc/15/14/28/335151428.db2.gz DWZLZLGJWLYDAK-UHFFFAOYSA-N 1 1 292.338 3.603 20 30 CHEDMO COc1ccc(C[N@H+]2CCCC[C@H]2C(C)C)cc1C#N ZINC000340195441 335152566 /nfs/dbraw/zinc/15/25/66/335152566.db2.gz REINODREJODWSJ-INIZCTEOSA-N 1 1 272.392 3.577 20 30 CHEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000539227115 333662232 /nfs/dbraw/zinc/66/22/32/333662232.db2.gz YVUNZAMVJMNZPV-CABCVRRESA-N 1 1 285.391 3.568 20 30 CHEDMO CC(C)COc1ccc(C(C)(C)[NH2+]CC2(C#N)CC2)cc1 ZINC000539491909 333673651 /nfs/dbraw/zinc/67/36/51/333673651.db2.gz WUAHKRVOQIABEY-UHFFFAOYSA-N 1 1 286.419 3.850 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000543183117 333863141 /nfs/dbraw/zinc/86/31/41/333863141.db2.gz JLZIZYGBFDFCFP-GFCCVEGCSA-N 1 1 286.325 3.882 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1 ZINC000546634712 334042430 /nfs/dbraw/zinc/04/24/30/334042430.db2.gz YYUXIVGRVUVJKR-KRWDZBQOSA-N 1 1 299.345 3.614 20 30 CHEDMO C=CCCC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000076108933 334072903 /nfs/dbraw/zinc/07/29/03/334072903.db2.gz VFHXZQOZSNXVNG-UHFFFAOYSA-N 1 1 287.451 3.586 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000076734005 334088051 /nfs/dbraw/zinc/08/80/51/334088051.db2.gz CFWUPFWAXZNLAM-CYBMUJFWSA-N 1 1 294.826 3.873 20 30 CHEDMO CC(C)C[N@@H+](CCCSCC#N)CC(C)(C)C ZINC000134447651 334090828 /nfs/dbraw/zinc/09/08/28/334090828.db2.gz BCCVNCDTOUAFJG-UHFFFAOYSA-N 1 1 256.459 3.637 20 30 CHEDMO CC[C@@H]1CCCCC[N@H+]1CCOc1ccccc1C#N ZINC000134726096 334101760 /nfs/dbraw/zinc/10/17/60/334101760.db2.gz KMUMWNJDZWKBIR-MRXNPFEDSA-N 1 1 272.392 3.592 20 30 CHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000134774841 334103874 /nfs/dbraw/zinc/10/38/74/334103874.db2.gz NCXUWURRCVRBNM-LBPRGKRZSA-N 1 1 284.334 3.557 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC000547830293 334124369 /nfs/dbraw/zinc/12/43/69/334124369.db2.gz CORCEEHUTNWUIC-UHFFFAOYSA-N 1 1 262.784 3.832 20 30 CHEDMO C=CCC[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000547834808 334125264 /nfs/dbraw/zinc/12/52/64/334125264.db2.gz PJDQREXZJNURCM-MRXNPFEDSA-N 1 1 258.409 3.993 20 30 CHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1CCC(C)(C)C#N ZINC000548496966 334160620 /nfs/dbraw/zinc/16/06/20/334160620.db2.gz YYCAUKAVFXCMCN-WDEREUQCSA-N 1 1 262.319 3.589 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000576269097 335179846 /nfs/dbraw/zinc/17/98/46/335179846.db2.gz WPUIGZTYVHICNG-CYBMUJFWSA-N 1 1 290.363 3.534 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000548944640 334180965 /nfs/dbraw/zinc/18/09/65/334180965.db2.gz DYYVMJKSQHSSSD-AWEZNQCLSA-N 1 1 289.419 3.880 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245416492 334191285 /nfs/dbraw/zinc/19/12/85/334191285.db2.gz FFBAOURQHBVIBV-KBXCAEBGSA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245416492 334191286 /nfs/dbraw/zinc/19/12/86/334191286.db2.gz FFBAOURQHBVIBV-KBXCAEBGSA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)cs1 ZINC000245749996 334217292 /nfs/dbraw/zinc/21/72/92/334217292.db2.gz NQJUMCPYCYYTJN-UXIGCNINSA-N 1 1 260.406 3.773 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000552061436 334283276 /nfs/dbraw/zinc/28/32/76/334283276.db2.gz LILVWNDNZHIKHB-HNNXBMFYSA-N 1 1 282.412 3.999 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000552274380 334311120 /nfs/dbraw/zinc/31/11/20/334311120.db2.gz RAWIFKSLWSZDMH-IBGZPJMESA-N 1 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CBKHPWLUYYYGER-UHFFFAOYSA-N 1 1 297.446 3.906 20 30 CHEDMO N#Cc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)nc1 ZINC000554071991 334409192 /nfs/dbraw/zinc/40/91/92/334409192.db2.gz CUUZJDYHHGFOHF-UHFFFAOYSA-N 1 1 299.377 3.832 20 30 CHEDMO C=CC[N@H+](Cc1cncc(F)c1)CC1CCCCC1 ZINC000577086686 335298010 /nfs/dbraw/zinc/29/80/10/335298010.db2.gz AJRXOYAWABTFPX-UHFFFAOYSA-N 1 1 262.372 3.789 20 30 CHEDMO C=CCCCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000577348884 335341020 /nfs/dbraw/zinc/34/10/20/335341020.db2.gz IPXHGJSSVVLZRB-UHFFFAOYSA-N 1 1 288.435 3.838 20 30 CHEDMO CC(C)(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352839462 335746803 /nfs/dbraw/zinc/74/68/03/335746803.db2.gz KJLHEPFUTSTWDH-HNNXBMFYSA-N 1 1 285.416 3.892 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1cccc(C(=O)OC)c1Cl ZINC000382506907 336092044 /nfs/dbraw/zinc/09/20/44/336092044.db2.gz YINZCLVUTIRNCG-UHFFFAOYSA-N 1 1 281.783 3.525 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(=O)OC)c1Cl ZINC000382506907 336092045 /nfs/dbraw/zinc/09/20/45/336092045.db2.gz YINZCLVUTIRNCG-UHFFFAOYSA-N 1 1 281.783 3.525 20 30 CHEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000386618147 336176818 /nfs/dbraw/zinc/17/68/18/336176818.db2.gz DNQCPECACJOPPF-LLVKDONJSA-N 1 1 299.340 3.718 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000350653221 533903676 /nfs/dbraw/zinc/90/36/76/533903676.db2.gz DAVCLTVODLOSNE-UHFFFAOYSA-N 1 1 293.414 3.920 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352853317 517776729 /nfs/dbraw/zinc/77/67/29/517776729.db2.gz NJQYSHDGCPRHKY-CYBMUJFWSA-N 1 1 291.807 3.909 20 30 CHEDMO C=C(C)C[N@H+](Cc1cncs1)Cc1ccccc1 ZINC000279625802 518602594 /nfs/dbraw/zinc/60/25/94/518602594.db2.gz HIQAFUPAYQAINT-UHFFFAOYSA-N 1 1 258.390 3.721 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cncs1)Cc1ccccc1 ZINC000279625802 518602601 /nfs/dbraw/zinc/60/26/01/518602601.db2.gz HIQAFUPAYQAINT-UHFFFAOYSA-N 1 1 258.390 3.721 20 30 CHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290088746 522937030 /nfs/dbraw/zinc/93/70/30/522937030.db2.gz GWSIYORIDPFYPZ-QGZVFWFLSA-N 1 1 284.359 3.743 20 30 CHEDMO C[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356084737 523475584 /nfs/dbraw/zinc/47/55/84/523475584.db2.gz LNHCINKYYQCUOZ-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356084737 523475593 /nfs/dbraw/zinc/47/55/93/523475593.db2.gz LNHCINKYYQCUOZ-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000066852359 525156041 /nfs/dbraw/zinc/15/60/41/525156041.db2.gz MSMWOCXQGMYDCX-DNVCBOLYSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000066852359 525156051 /nfs/dbraw/zinc/15/60/51/525156051.db2.gz MSMWOCXQGMYDCX-DNVCBOLYSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@H]([NH2+]Cc1csc(C2CC2)n1)c1ccc(C#N)cc1 ZINC000264942623 525484101 /nfs/dbraw/zinc/48/41/01/525484101.db2.gz GZGYWYAHXAACTN-NSHDSACASA-N 1 1 283.400 3.743 20 30 CHEDMO 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/nfs/dbraw/zinc/75/13/04/526751304.db2.gz BEDSEUKYKXWPHJ-UHFFFAOYSA-N 1 1 275.367 3.508 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000353742523 526983759 /nfs/dbraw/zinc/98/37/59/526983759.db2.gz ATAUPXZWHSECFN-UHFFFAOYSA-N 1 1 260.303 3.511 20 30 CHEDMO C=CCCC[N@H+](C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000353719259 527192114 /nfs/dbraw/zinc/19/21/14/527192114.db2.gz YYLRDGXQAPGDLM-UHFFFAOYSA-N 1 1 293.455 3.644 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccco1 ZINC000353406169 527485746 /nfs/dbraw/zinc/48/57/46/527485746.db2.gz PXDJFTTWZZCHFJ-AWEZNQCLSA-N 1 1 260.312 3.611 20 30 CHEDMO C=C[C@H](CO)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000353564721 527595121 /nfs/dbraw/zinc/59/51/21/527595121.db2.gz HUIRYXQAPMFNHP-VXNVDRBHSA-N 1 1 292.231 3.569 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCCCOC(C)(C)C ZINC000354922890 527680825 /nfs/dbraw/zinc/68/08/25/527680825.db2.gz RJPBIKFGXORECM-UHFFFAOYSA-N 1 1 268.445 3.843 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000350656623 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CHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](c2ccsc2)O1 ZINC000093769165 1125772981 /nfs/dbraw/zinc/77/29/81/1125772981.db2.gz RXSYHZJBUSTCGH-DZGCQCFKSA-N 1 1 292.448 3.840 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000509686023 1125777423 /nfs/dbraw/zinc/77/74/23/1125777423.db2.gz DTAZHLZMZNORFM-DLBZAZTESA-N 1 1 254.377 3.724 20 30 CHEDMO CC(C)Oc1cc(C[N@@H+](CCCCC#N)C2CC2)ccn1 ZINC000122405256 1125786146 /nfs/dbraw/zinc/78/61/46/1125786146.db2.gz UJVRCYQXBKEWIB-UHFFFAOYSA-N 1 1 287.407 3.527 20 30 CHEDMO C=CCOCCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000348049609 1129274366 /nfs/dbraw/zinc/27/43/66/1129274366.db2.gz PFHGZOYYHXKXNS-OAHLLOKOSA-N 1 1 263.381 3.789 20 30 CHEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247258559 1129362462 /nfs/dbraw/zinc/36/24/62/1129362462.db2.gz VCMOBMHQEQTYLR-HUUCEWRRSA-N 1 1 279.449 3.992 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247273181 1129362708 /nfs/dbraw/zinc/36/27/08/1129362708.db2.gz 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C=CCc1cc(C[N@H+]2CCCC[C@@H](C)C2)cc(OC)c1O ZINC000482291180 1126749662 /nfs/dbraw/zinc/74/96/62/1126749662.db2.gz CMINTDWQACBOLU-CQSZACIVSA-N 1 1 289.419 3.751 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCCCC#N)C1 ZINC000174045513 1126765750 /nfs/dbraw/zinc/76/57/50/1126765750.db2.gz GTDPVOLALSJLDE-CZUORRHYSA-N 1 1 260.356 3.902 20 30 CHEDMO C=C(C)C[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000483064254 1126765807 /nfs/dbraw/zinc/76/58/07/1126765807.db2.gz UOKHZBCTIGJPAL-UHFFFAOYSA-N 1 1 296.414 3.711 20 30 CHEDMO CC(C)(C#N)CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000174837173 1126773500 /nfs/dbraw/zinc/77/35/00/1126773500.db2.gz LFAOTGKAHYYJGV-UHFFFAOYSA-N 1 1 286.419 3.934 20 30 CHEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)cc1C#N ZINC000483248340 1126774939 /nfs/dbraw/zinc/77/49/39/1126774939.db2.gz FCLZWDHNTGMRKR-GOSISDBHSA-N 1 1 293.414 3.522 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483260216 1126776062 /nfs/dbraw/zinc/77/60/62/1126776062.db2.gz OJHUTCTWVCRDAJ-UHFFFAOYSA-N 1 1 259.393 3.873 20 30 CHEDMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001170293060 1130475090 /nfs/dbraw/zinc/47/50/90/1130475090.db2.gz JVOBNJWDOAIHHL-WFASDCNBSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001170293060 1130475095 /nfs/dbraw/zinc/47/50/95/1130475095.db2.gz JVOBNJWDOAIHHL-WFASDCNBSA-N 1 1 262.784 3.507 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483344378 1126783044 /nfs/dbraw/zinc/78/30/44/1126783044.db2.gz ROCLMGFBRCLWTP-UHFFFAOYSA-N 1 1 263.287 3.843 20 30 CHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483553548 1126792997 /nfs/dbraw/zinc/79/29/97/1126792997.db2.gz CDPDSWVHVSTXBH-QGZVFWFLSA-N 1 1 294.373 3.995 20 30 CHEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000483596651 1126794049 /nfs/dbraw/zinc/79/40/49/1126794049.db2.gz CQTOPUDTBSNCEK-GOSISDBHSA-N 1 1 293.410 3.748 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483607137 1126794824 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C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000904681142 1126865049 /nfs/dbraw/zinc/86/50/49/1126865049.db2.gz AWONDSUNNSYVOD-MRXNPFEDSA-N 1 1 297.402 3.505 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)c2ccccc2C)no1 ZINC000904632967 1126863732 /nfs/dbraw/zinc/86/37/32/1126863732.db2.gz FAHCKVOUEGPGFT-ZFWWWQNUSA-N 1 1 285.391 3.886 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000183704954 1126890466 /nfs/dbraw/zinc/89/04/66/1126890466.db2.gz WTFRMOJKCJSMBC-HNNXBMFYSA-N 1 1 282.387 3.839 20 30 CHEDMO C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000185852108 1126904077 /nfs/dbraw/zinc/90/40/77/1126904077.db2.gz GDZNIBWUCBHKQW-NEWSRXKRSA-N 1 1 299.462 3.569 20 30 CHEDMO C=C(C)[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450934 1126906474 /nfs/dbraw/zinc/90/64/74/1126906474.db2.gz CZBVJZVBPVHICV-HACGYAERSA-N 1 1 294.389 3.654 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000245556192 1129212036 /nfs/dbraw/zinc/21/20/36/1129212036.db2.gz IVTZHNYOHHRNNX-UWWQBHOKSA-N 1 1 284.403 3.742 20 30 CHEDMO CCN(CC)c1ncc(C=[NH+]OC2CCCCC2)s1 ZINC000777459318 1126939897 /nfs/dbraw/zinc/93/98/97/1126939897.db2.gz NTSPLYKWCICQRA-UHFFFAOYSA-N 1 1 281.425 3.673 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000266892684 1126989744 /nfs/dbraw/zinc/98/97/44/1126989744.db2.gz FLNWLKWOXBEOKK-KRWDZBQOSA-N 1 1 286.419 3.562 20 30 CHEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908017999 1126989900 /nfs/dbraw/zinc/98/99/00/1126989900.db2.gz WFTIIVJGXICDGE-SJLPKXTDSA-N 1 1 298.430 3.761 20 30 CHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000267568215 1127002147 /nfs/dbraw/zinc/00/21/47/1127002147.db2.gz COKDMZPJSRINJF-RTBURBONSA-N 1 1 295.430 3.775 20 30 CHEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486790155 1127002546 /nfs/dbraw/zinc/00/25/46/1127002546.db2.gz FEBHWKJKZGXMKU-KRWDZBQOSA-N 1 1 299.418 3.541 20 30 CHEDMO CC#CC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484145 1130906364 /nfs/dbraw/zinc/90/63/64/1130906364.db2.gz XMHKJSRCNQQFAF-ZDUSSCGKSA-N 1 1 267.294 3.518 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268022547 1127009563 /nfs/dbraw/zinc/00/95/63/1127009563.db2.gz JNHKUMLBTUIJPY-OAHLLOKOSA-N 1 1 274.383 3.945 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000042316435 1127037989 /nfs/dbraw/zinc/03/79/89/1127037989.db2.gz BQUWMCBTGROGIQ-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000042316435 1127037993 /nfs/dbraw/zinc/03/79/93/1127037993.db2.gz BQUWMCBTGROGIQ-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1cc[nH+]c(N[C@H](CCC#N)c2ccccc2)c1 ZINC000269736182 1127045763 /nfs/dbraw/zinc/04/57/63/1127045763.db2.gz UEFSBJGHPSQXCB-OAHLLOKOSA-N 1 1 251.333 3.847 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000488004816 1127052308 /nfs/dbraw/zinc/05/23/08/1127052308.db2.gz XNUHMHXWVMFIOV-INIZCTEOSA-N 1 1 253.430 3.871 20 30 CHEDMO C=C(CC)C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000488011533 1127052034 /nfs/dbraw/zinc/05/20/34/1127052034.db2.gz RKNNGOLHZMQGAL-UHFFFAOYSA-N 1 1 281.403 3.505 20 30 CHEDMO C#CC1CC[NH+](Cc2c(C)cc(Cl)nc2Cl)CC1 ZINC001236606955 1130982987 /nfs/dbraw/zinc/98/29/87/1130982987.db2.gz CLDOSAGYJFFFHW-UHFFFAOYSA-N 1 1 283.202 3.542 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1C#N ZINC000488187612 1127060610 /nfs/dbraw/zinc/06/06/10/1127060610.db2.gz VWXUOMSHGAZAMY-QGZVFWFLSA-N 1 1 265.360 3.532 20 30 CHEDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1C#N ZINC000488215467 1127062725 /nfs/dbraw/zinc/06/27/25/1127062725.db2.gz KQUNFDHIMAHCAN-MRXNPFEDSA-N 1 1 298.411 3.502 20 30 CHEDMO Cc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1C#N ZINC000488215467 1127062728 /nfs/dbraw/zinc/06/27/28/1127062728.db2.gz KQUNFDHIMAHCAN-MRXNPFEDSA-N 1 1 298.411 3.502 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000488213191 1127063523 /nfs/dbraw/zinc/06/35/23/1127063523.db2.gz CQDIOMJUQQYHGS-SFHVURJKSA-N 1 1 289.419 3.815 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000488213191 1127063525 /nfs/dbraw/zinc/06/35/25/1127063525.db2.gz CQDIOMJUQQYHGS-SFHVURJKSA-N 1 1 289.419 3.815 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1C ZINC000488289379 1127068895 /nfs/dbraw/zinc/06/88/95/1127068895.db2.gz FNXUYTFIHUZFNQ-PBHICJAKSA-N 1 1 256.393 3.672 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236799351 1131010215 /nfs/dbraw/zinc/01/02/15/1131010215.db2.gz NWTYUJGCJDWFTB-SNVBAGLBSA-N 1 1 284.186 3.544 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236799351 1131010220 /nfs/dbraw/zinc/01/02/20/1131010220.db2.gz NWTYUJGCJDWFTB-SNVBAGLBSA-N 1 1 284.186 3.544 20 30 CHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccsc1 ZINC000589994022 1127087617 /nfs/dbraw/zinc/08/76/17/1127087617.db2.gz GGCHCLKVGIJSSX-JTQLQIEISA-N 1 1 260.337 3.610 20 30 CHEDMO Cc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001236854788 1131023814 /nfs/dbraw/zinc/02/38/14/1131023814.db2.gz YLLAVCMZDAOWFI-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339174666 1127117304 /nfs/dbraw/zinc/11/73/04/1127117304.db2.gz WAVWVADOEDSFNS-CYBMUJFWSA-N 1 1 281.197 3.557 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc(CC)s1 ZINC000349524868 1127153198 /nfs/dbraw/zinc/15/31/98/1127153198.db2.gz SWLJAABDQGSIIO-UHFFFAOYSA-N 1 1 278.446 3.955 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc(CC)s1 ZINC000349524868 1127153199 /nfs/dbraw/zinc/15/31/99/1127153199.db2.gz SWLJAABDQGSIIO-UHFFFAOYSA-N 1 1 278.446 3.955 20 30 CHEDMO Cc1ccsc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000349544845 1127154400 /nfs/dbraw/zinc/15/44/00/1127154400.db2.gz ZWMIKQIWWUHWPB-UHFFFAOYSA-N 1 1 262.403 3.622 20 30 CHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)C#N)cc1 ZINC000055459032 1127161968 /nfs/dbraw/zinc/16/19/68/1127161968.db2.gz QWWZMHCCMCPXBU-AWEZNQCLSA-N 1 1 299.418 3.549 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OCCC)c(OC)c1)C1CC1 ZINC000350267944 1127175835 /nfs/dbraw/zinc/17/58/35/1127175835.db2.gz PIJJOAGALMLTHJ-UHFFFAOYSA-N 1 1 275.392 3.634 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(F)cc1F ZINC001237526633 1131111144 /nfs/dbraw/zinc/11/11/44/1131111144.db2.gz CZKDJBUXRJMWRD-SJCJKPOMSA-N 1 1 290.357 3.991 20 30 CHEDMO C=CC[N@H+](Cc1cnc(C)c(Br)c1)C(C)(C)C ZINC001237564961 1131113642 /nfs/dbraw/zinc/11/36/42/1131113642.db2.gz PAPOJPASPHDTQD-UHFFFAOYSA-N 1 1 297.240 3.939 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CCC23CCCCC3)c(F)cc1F ZINC001237523662 1131111435 /nfs/dbraw/zinc/11/14/35/1131111435.db2.gz CJRGMEQOHQBVBO-UHFFFAOYSA-N 1 1 276.330 3.745 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC23CCCCC3)c(F)cc1F ZINC001237523662 1131111440 /nfs/dbraw/zinc/11/14/40/1131111440.db2.gz CJRGMEQOHQBVBO-UHFFFAOYSA-N 1 1 276.330 3.745 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000588203901 1127180963 /nfs/dbraw/zinc/18/09/63/1127180963.db2.gz SQAMIGYYSYHNHP-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO COCc1ccccc1/C=C(\C)C[N@H+](CCC#N)CC1CC1 ZINC000351395535 1127188024 /nfs/dbraw/zinc/18/80/24/1127188024.db2.gz HXDQJEQDXCODPC-FOWTUZBSSA-N 1 1 298.430 3.862 20 30 CHEDMO COCc1ccccc1/C=C(\C)C[N@@H+](CCC#N)CC1CC1 ZINC000351395535 1127188027 /nfs/dbraw/zinc/18/80/27/1127188027.db2.gz HXDQJEQDXCODPC-FOWTUZBSSA-N 1 1 298.430 3.862 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000351599857 1127197657 /nfs/dbraw/zinc/19/76/57/1127197657.db2.gz KMTVEKWWSNJAMP-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CC#CC[N@H+](C)Cc1c(CC)ccc2ccccc21 ZINC001307806855 1127201131 /nfs/dbraw/zinc/20/11/31/1127201131.db2.gz IJTSMLDLWQXPLK-UHFFFAOYSA-N 1 1 251.373 3.857 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588978059 1127209298 /nfs/dbraw/zinc/20/92/98/1127209298.db2.gz PVUZDBVIAVIBFQ-ZDUSSCGKSA-N 1 1 274.795 3.834 20 30 CHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC1CCCC1 ZINC000588978981 1127209323 /nfs/dbraw/zinc/20/93/23/1127209323.db2.gz JGVBQRLHEFIQJK-UHFFFAOYSA-N 1 1 286.419 3.587 20 30 CHEDMO C[C@@]12CC[N@H+](CC#Cc3ccccc3)C[C@@H]1C2(Cl)Cl ZINC000284890954 1127211392 /nfs/dbraw/zinc/21/13/92/1127211392.db2.gz UGXYQBIKHHPQKA-LSDHHAIUSA-N 1 1 294.225 3.554 20 30 CHEDMO C[C@@]12CC[N@@H+](CC#Cc3ccccc3)C[C@@H]1C2(Cl)Cl ZINC000284890954 1127211394 /nfs/dbraw/zinc/21/13/94/1127211394.db2.gz UGXYQBIKHHPQKA-LSDHHAIUSA-N 1 1 294.225 3.554 20 30 CHEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589351061 1127219146 /nfs/dbraw/zinc/21/91/46/1127219146.db2.gz RYNCDZRHBIIWQH-BEFAXECRSA-N 1 1 299.462 3.646 20 30 CHEDMO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000589351061 1127219147 /nfs/dbraw/zinc/21/91/47/1127219147.db2.gz RYNCDZRHBIIWQH-BEFAXECRSA-N 1 1 299.462 3.646 20 30 CHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000285363983 1127224128 /nfs/dbraw/zinc/22/41/28/1127224128.db2.gz VTIRPWOAVKRLNU-ZUZCIYMTSA-N 1 1 277.318 3.656 20 30 CHEDMO C=CCN(Cc1ccccc1)Cc1[nH+]cc(C)c(OC)c1C ZINC000589705932 1127234356 /nfs/dbraw/zinc/23/43/56/1127234356.db2.gz LBLLNZUIAMTLNO-UHFFFAOYSA-N 1 1 296.414 3.895 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC000589705932 1127234358 /nfs/dbraw/zinc/23/43/58/1127234358.db2.gz LBLLNZUIAMTLNO-UHFFFAOYSA-N 1 1 296.414 3.895 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC000589705932 1127234360 /nfs/dbraw/zinc/23/43/60/1127234360.db2.gz LBLLNZUIAMTLNO-UHFFFAOYSA-N 1 1 296.414 3.895 20 30 CHEDMO N#CC1(F)CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000352484332 1127236852 /nfs/dbraw/zinc/23/68/52/1127236852.db2.gz NUGLVKJGFBRLNB-AWEZNQCLSA-N 1 1 278.758 3.655 20 30 CHEDMO CC(C)[C@H](C)[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000589820538 1127237911 /nfs/dbraw/zinc/23/79/11/1127237911.db2.gz WCMCBESKPSOTIC-LBPRGKRZSA-N 1 1 260.356 3.706 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C2CC2)CC1 ZINC000590008736 1127243191 /nfs/dbraw/zinc/24/31/91/1127243191.db2.gz ZQHHBKZPDAZHEE-UHFFFAOYSA-N 1 1 274.795 3.834 20 30 CHEDMO C=C(C)C[N@H+](CCCSC)Cc1cnn(C(C)C)c1 ZINC000352900786 1127248871 /nfs/dbraw/zinc/24/88/71/1127248871.db2.gz ICOIRANEPQRHAQ-UHFFFAOYSA-N 1 1 281.469 3.595 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(CC)o1 ZINC000352929867 1127252248 /nfs/dbraw/zinc/25/22/48/1127252248.db2.gz IMZYOXMAHOVLAR-UHFFFAOYSA-N 1 1 259.349 3.666 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000590372198 1127256630 /nfs/dbraw/zinc/25/66/30/1127256630.db2.gz WFURXBXKHWKUCB-UHFFFAOYSA-N 1 1 284.325 3.995 20 30 CHEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000590372198 1127256633 /nfs/dbraw/zinc/25/66/33/1127256633.db2.gz WFURXBXKHWKUCB-UHFFFAOYSA-N 1 1 284.325 3.995 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1C=CCCC1 ZINC000590400940 1127257502 /nfs/dbraw/zinc/25/75/02/1127257502.db2.gz ZMEBMBIDEJOQHK-INIZCTEOSA-N 1 1 257.377 3.792 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001238090178 1131169155 /nfs/dbraw/zinc/16/91/55/1131169155.db2.gz COKLZDPUXZDWGS-AWEZNQCLSA-N 1 1 261.796 3.802 20 30 CHEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000353700240 1127272940 /nfs/dbraw/zinc/27/29/40/1127272940.db2.gz CHEJFHVECYXZPT-MRXNPFEDSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000590746894 1127270683 /nfs/dbraw/zinc/27/06/83/1127270683.db2.gz KZALIMFKPYDVGI-VCBZYWHSSA-N 1 1 291.398 3.720 20 30 CHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](C1CC1)C1CCCCC1 ZINC000590951441 1127279314 /nfs/dbraw/zinc/27/93/14/1127279314.db2.gz KJWZQUHFZFUDMC-UHFFFAOYSA-N 1 1 299.374 3.764 20 30 CHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](C1CC1)C1CCCCC1 ZINC000590951441 1127279319 /nfs/dbraw/zinc/27/93/19/1127279319.db2.gz KJWZQUHFZFUDMC-UHFFFAOYSA-N 1 1 299.374 3.764 20 30 CHEDMO C[N@@H+](CCOC(C)(C)C)CCC1(C#N)CCCCC1 ZINC000591016268 1127282668 /nfs/dbraw/zinc/28/26/68/1127282668.db2.gz TUXXUUJXXLAUIQ-UHFFFAOYSA-N 1 1 266.429 3.597 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1F ZINC000591025462 1127284293 /nfs/dbraw/zinc/28/42/93/1127284293.db2.gz KHAKEHZLZPBYJH-ZIAGYGMSSA-N 1 1 252.377 3.530 20 30 CHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000057974316 1127295391 /nfs/dbraw/zinc/29/53/91/1127295391.db2.gz HIAYSKSNTRVXOZ-CQSZACIVSA-N 1 1 298.361 3.769 20 30 CHEDMO CCCCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000795320047 1129218425 /nfs/dbraw/zinc/21/84/25/1129218425.db2.gz BFGVAJDJXVQZKE-QGZVFWFLSA-N 1 1 266.473 3.765 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000795320047 1129218429 /nfs/dbraw/zinc/21/84/29/1129218429.db2.gz BFGVAJDJXVQZKE-QGZVFWFLSA-N 1 1 266.473 3.765 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1ccc(F)cc1 ZINC000573264279 1127305056 /nfs/dbraw/zinc/30/50/56/1127305056.db2.gz ZAXSCDQDZZRCPM-CYBMUJFWSA-N 1 1 283.350 3.675 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@@H](C)CC ZINC001275324954 1127308423 /nfs/dbraw/zinc/30/84/23/1127308423.db2.gz JXDCFIUJMYMIBO-GVDBMIGSSA-N 1 1 292.467 3.597 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@H](C)CC ZINC001275324951 1127308822 /nfs/dbraw/zinc/30/88/22/1127308822.db2.gz JXDCFIUJMYMIBO-BRWVUGGUSA-N 1 1 292.467 3.597 20 30 CHEDMO C#CCC[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000760842484 1127309490 /nfs/dbraw/zinc/30/94/90/1127309490.db2.gz ZOHXXUKVDYJTST-UHFFFAOYSA-N 1 1 267.372 3.656 20 30 CHEDMO C#CCC[N@H+](CCc1ccc(OC)cc1)CC(C)(C)C ZINC000760841773 1127309699 /nfs/dbraw/zinc/30/96/99/1127309699.db2.gz YTOBWPJAJBXUKC-UHFFFAOYSA-N 1 1 273.420 3.609 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000287570168 1127310460 /nfs/dbraw/zinc/31/04/60/1127310460.db2.gz QPANJUZDMWJWEY-GFCCVEGCSA-N 1 1 274.389 3.559 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1CCNc1cccc(C(F)F)c1C#N ZINC000573814851 1127328996 /nfs/dbraw/zinc/32/89/96/1127328996.db2.gz KDJOQVPHTBAXRV-GFCCVEGCSA-N 1 1 293.361 3.782 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)CC12CCCCC2 ZINC000592101585 1127333131 /nfs/dbraw/zinc/33/31/31/1127333131.db2.gz BYIOJAHMBQCPAB-HNNXBMFYSA-N 1 1 283.419 3.746 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592070284 1127334211 /nfs/dbraw/zinc/33/42/11/1127334211.db2.gz JHZYPALWLVXSCW-LJQANCHMSA-N 1 1 291.398 3.507 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000592153891 1127337746 /nfs/dbraw/zinc/33/77/46/1127337746.db2.gz LIWLZOWALGWMDY-LVQVYYBASA-N 1 1 260.425 3.827 20 30 CHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ccncc1C#N ZINC000592072915 1127335102 /nfs/dbraw/zinc/33/51/02/1127335102.db2.gz RIBDXXPEHZIPIQ-KRWDZBQOSA-N 1 1 271.408 3.744 20 30 CHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592116305 1127335613 /nfs/dbraw/zinc/33/56/13/1127335613.db2.gz ILBLBNMCYYQNIR-MAUKXSAKSA-N 1 1 291.398 3.640 20 30 CHEDMO CC(C)CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592075063 1127336002 /nfs/dbraw/zinc/33/60/02/1127336002.db2.gz SHIFHZRSGPRFIX-UHFFFAOYSA-N 1 1 271.408 3.601 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000058577305 1127362318 /nfs/dbraw/zinc/36/23/18/1127362318.db2.gz UDQWTQXLPXOXHS-FHLIZLRMSA-N 1 1 268.404 3.959 20 30 CHEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C#N)nc2)cc1 ZINC000592986818 1127366549 /nfs/dbraw/zinc/36/65/49/1127366549.db2.gz QVASLWBQOHQMMD-CQSZACIVSA-N 1 1 277.371 3.605 20 30 CHEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2cncc(C#N)c2)cc1 ZINC000592984836 1127366939 /nfs/dbraw/zinc/36/69/39/1127366939.db2.gz BIOARESLEUPHTB-AWEZNQCLSA-N 1 1 277.371 3.605 20 30 CHEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCc2ccc(Cl)cc21 ZINC000593066728 1127368352 /nfs/dbraw/zinc/36/83/52/1127368352.db2.gz PNCXYQAJTBMQEC-XJKCOSOUSA-N 1 1 288.822 3.994 20 30 CHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CCCCC#N ZINC000593047382 1127368870 /nfs/dbraw/zinc/36/88/70/1127368870.db2.gz ZQRWISKTMJYUEX-CQSZACIVSA-N 1 1 262.422 3.793 20 30 CHEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCc2ccc(F)cc21 ZINC000593117706 1127373841 /nfs/dbraw/zinc/37/38/41/1127373841.db2.gz RYPCUNWMPVTETR-CYBMUJFWSA-N 1 1 274.383 3.727 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593116218 1127373848 /nfs/dbraw/zinc/37/38/48/1127373848.db2.gz GJARKCFLFORNOF-MRXNPFEDSA-N 1 1 290.357 3.719 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000289585591 1127383890 /nfs/dbraw/zinc/38/38/90/1127383890.db2.gz IFHFHVSMDQYIQB-QGZVFWFLSA-N 1 1 282.412 3.770 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000289585591 1127383894 /nfs/dbraw/zinc/38/38/94/1127383894.db2.gz IFHFHVSMDQYIQB-QGZVFWFLSA-N 1 1 282.412 3.770 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CC)Cc2ccncc2)c1 ZINC000289921490 1127385312 /nfs/dbraw/zinc/38/53/12/1127385312.db2.gz VSAVOTUFRVUZNC-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000058822984 1127389962 /nfs/dbraw/zinc/38/99/62/1127389962.db2.gz NFCDZLJOTUYQHM-UHFFFAOYSA-N 1 1 294.398 3.848 20 30 CHEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1SC ZINC000593649450 1127392611 /nfs/dbraw/zinc/39/26/11/1127392611.db2.gz FTDFUUDKCQFRJZ-UHFFFAOYSA-N 1 1 290.432 3.591 20 30 CHEDMO CCCOc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593649469 1127393304 /nfs/dbraw/zinc/39/33/04/1127393304.db2.gz IDJJEJARYIXXGR-UHFFFAOYSA-N 1 1 272.392 3.649 20 30 CHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCc2ccccc21 ZINC000593680263 1127394846 /nfs/dbraw/zinc/39/48/46/1127394846.db2.gz WNPHIIHXGUKHCO-OAHLLOKOSA-N 1 1 270.420 3.978 20 30 CHEDMO C[C@@H](C#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000357833644 1127395120 /nfs/dbraw/zinc/39/51/20/1127395120.db2.gz PWVAGMVRTLGBTB-AWEZNQCLSA-N 1 1 299.418 3.549 20 30 CHEDMO C=CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1 ZINC000046517079 1127413409 /nfs/dbraw/zinc/41/34/09/1127413409.db2.gz ZYCLKLCEDIMGIB-UHFFFAOYSA-N 1 1 299.370 3.563 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1 ZINC000046517079 1127413410 /nfs/dbraw/zinc/41/34/10/1127413410.db2.gz ZYCLKLCEDIMGIB-UHFFFAOYSA-N 1 1 299.370 3.563 20 30 CHEDMO CCc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594517424 1127420880 /nfs/dbraw/zinc/42/08/80/1127420880.db2.gz BYCCKXIMWRPBQN-UHFFFAOYSA-N 1 1 297.427 3.746 20 30 CHEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nccs1 ZINC000594517600 1127420933 /nfs/dbraw/zinc/42/09/33/1127420933.db2.gz KMHUIIJBCVFMNX-GFCCVEGCSA-N 1 1 283.400 3.745 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C#N)cc1 ZINC000594717206 1127429075 /nfs/dbraw/zinc/42/90/75/1127429075.db2.gz JBNWGDPJXXBHGO-CQSZACIVSA-N 1 1 267.376 3.683 20 30 CHEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c2ccccc12 ZINC000594719226 1127429521 /nfs/dbraw/zinc/42/95/21/1127429521.db2.gz ARVANLLPWAOCPC-NSHDSACASA-N 1 1 258.752 3.885 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000594921313 1127435739 /nfs/dbraw/zinc/43/57/39/1127435739.db2.gz KJNVMDRNXCKBKI-HNNXBMFYSA-N 1 1 297.427 3.939 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000358869550 1127437160 /nfs/dbraw/zinc/43/71/60/1127437160.db2.gz HYNGVGVYCVGNSE-MRXNPFEDSA-N 1 1 283.419 3.775 20 30 CHEDMO Cc1nc(-c2ccc([C@H](C)[NH2+]CCC#N)cc2)cs1 ZINC000358879764 1127437258 /nfs/dbraw/zinc/43/72/58/1127437258.db2.gz VVNGLFKZWZVRJK-NSHDSACASA-N 1 1 271.389 3.683 20 30 CHEDMO C=CCCSCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000594960859 1127440764 /nfs/dbraw/zinc/44/07/64/1127440764.db2.gz YAEPZCOKPIQNLU-UHFFFAOYSA-N 1 1 296.383 3.561 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCCCC1 ZINC000594980935 1127442895 /nfs/dbraw/zinc/44/28/95/1127442895.db2.gz DJSMWZRIJVHKRS-UHFFFAOYSA-N 1 1 294.402 3.640 20 30 CHEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000595080779 1127453767 /nfs/dbraw/zinc/45/37/67/1127453767.db2.gz NYVVTSLIMVCUJT-YJBOKZPZSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000595080779 1127453768 /nfs/dbraw/zinc/45/37/68/1127453768.db2.gz NYVVTSLIMVCUJT-YJBOKZPZSA-N 1 1 297.446 3.616 20 30 CHEDMO Cc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCCCC2)s1 ZINC000595090142 1127454254 /nfs/dbraw/zinc/45/42/54/1127454254.db2.gz DEVZUKVHFOBDKD-NSHDSACASA-N 1 1 277.437 3.885 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000595091612 1127454354 /nfs/dbraw/zinc/45/43/54/1127454354.db2.gz SBILHMKFROTSQE-ZDUSSCGKSA-N 1 1 285.366 3.822 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cncc(F)c1 ZINC000359254121 1127455244 /nfs/dbraw/zinc/45/52/44/1127455244.db2.gz ZHFNYXMMFFOXDG-QWRGUYRKSA-N 1 1 287.313 3.643 20 30 CHEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000592998793 1127461519 /nfs/dbraw/zinc/46/15/19/1127461519.db2.gz WQFRQFXSEMYFST-UHFFFAOYSA-N 1 1 299.374 3.764 20 30 CHEDMO CC(C)[N@@H+](CCc1nccs1)CCc1ccc(C#N)cc1 ZINC000595388227 1127461811 /nfs/dbraw/zinc/46/18/11/1127461811.db2.gz HXLORZQUWWHQDW-UHFFFAOYSA-N 1 1 299.443 3.510 20 30 CHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000595478166 1127464226 /nfs/dbraw/zinc/46/42/26/1127464226.db2.gz YJGPZPZIVCDXCS-LJQANCHMSA-N 1 1 294.373 3.671 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595500864 1127464343 /nfs/dbraw/zinc/46/43/43/1127464343.db2.gz GDJCIKOVGZKWBR-SFHVURJKSA-N 1 1 291.398 3.641 20 30 CHEDMO CC(C)c1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595617280 1127468031 /nfs/dbraw/zinc/46/80/31/1127468031.db2.gz RCJTZDKUXDXTNR-OAHLLOKOSA-N 1 1 256.393 3.936 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000595623556 1127468575 /nfs/dbraw/zinc/46/85/75/1127468575.db2.gz TXVNAXOWRQYZQU-CQSZACIVSA-N 1 1 266.454 3.678 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000595622513 1127468765 /nfs/dbraw/zinc/46/87/65/1127468765.db2.gz BRYLTLLXMKRWLA-HNNXBMFYSA-N 1 1 274.433 3.545 20 30 CHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000595602315 1127470602 /nfs/dbraw/zinc/47/06/02/1127470602.db2.gz UMGCIKLSUZIYPS-GOSISDBHSA-N 1 1 291.398 3.907 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cscn1 ZINC000595666591 1127471882 /nfs/dbraw/zinc/47/18/82/1127471882.db2.gz CAPRPBVZLGQXJD-GFCCVEGCSA-N 1 1 285.416 3.795 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702237 1127472697 /nfs/dbraw/zinc/47/26/97/1127472697.db2.gz HTRGQYQIBFSFQQ-QGZVFWFLSA-N 1 1 296.345 3.523 20 30 CHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702237 1127472698 /nfs/dbraw/zinc/47/26/98/1127472698.db2.gz HTRGQYQIBFSFQQ-QGZVFWFLSA-N 1 1 296.345 3.523 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595785338 1127476527 /nfs/dbraw/zinc/47/65/27/1127476527.db2.gz DPGRSWNQPTZAEL-RTBURBONSA-N 1 1 298.430 3.534 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000595840385 1127477094 /nfs/dbraw/zinc/47/70/94/1127477094.db2.gz APZVPNDAJULMCM-CQSZACIVSA-N 1 1 280.824 3.668 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000595840385 1127477095 /nfs/dbraw/zinc/47/70/95/1127477095.db2.gz APZVPNDAJULMCM-CQSZACIVSA-N 1 1 280.824 3.668 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595845934 1127477950 /nfs/dbraw/zinc/47/79/50/1127477950.db2.gz XGSDQSMPZNZUAT-OKILXGFUSA-N 1 1 292.766 3.931 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595842648 1127478019 /nfs/dbraw/zinc/47/80/19/1127478019.db2.gz UOEDDWSZIDQIFO-AEGPPILISA-N 1 1 272.348 3.839 20 30 CHEDMO N#CCSCCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000595870850 1127480030 /nfs/dbraw/zinc/48/00/30/1127480030.db2.gz KHDNWPWAERWTAD-HNNXBMFYSA-N 1 1 266.454 3.678 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830474 1127479132 /nfs/dbraw/zinc/47/91/32/1127479132.db2.gz FHFHJIXHWKDCCG-LJQANCHMSA-N 1 1 292.382 3.520 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCc2ccccc21 ZINC000595882239 1127479230 /nfs/dbraw/zinc/47/92/30/1127479230.db2.gz ZTZZRWSUTOADJX-OAHLLOKOSA-N 1 1 256.393 3.588 20 30 CHEDMO CCC(CC)CCC[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000595831400 1127479288 /nfs/dbraw/zinc/47/92/88/1127479288.db2.gz ORPGVFYDPWJYEP-UHFFFAOYSA-N 1 1 259.397 3.601 20 30 CHEDMO Cc1cc(C(F)(F)F)cc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]1 ZINC000596249911 1127487338 /nfs/dbraw/zinc/48/73/38/1127487338.db2.gz CMCBNFMUKFULPK-JQWIXIFHSA-N 1 1 283.297 3.903 20 30 CHEDMO C[C@H](CC#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000596821462 1127519126 /nfs/dbraw/zinc/51/91/26/1127519126.db2.gz JMFPUYYTYNTXCW-CABCVRRESA-N 1 1 299.418 3.549 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979004 1127522612 /nfs/dbraw/zinc/52/26/12/1127522612.db2.gz CYAAWXZBFOAGSP-CQSZACIVSA-N 1 1 256.393 3.862 20 30 CHEDMO CCOc1ccc(C[N@H+](CCC#N)CC2CC2)c(C)c1 ZINC000596995489 1127524260 /nfs/dbraw/zinc/52/42/60/1127524260.db2.gz IIVILRVIEMXVDR-UHFFFAOYSA-N 1 1 272.392 3.519 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)c(C)c1 ZINC000596995489 1127524263 /nfs/dbraw/zinc/52/42/63/1127524263.db2.gz IIVILRVIEMXVDR-UHFFFAOYSA-N 1 1 272.392 3.519 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1C ZINC000596992992 1127524351 /nfs/dbraw/zinc/52/43/51/1127524351.db2.gz JMGTVGZZQZQGJY-HUUCEWRRSA-N 1 1 268.404 3.862 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3CCCc4occc4C3)cc2)CC1 ZINC000597133210 1127528841 /nfs/dbraw/zinc/52/88/41/1127528841.db2.gz QHPSDDBHWSCHCD-UHFFFAOYSA-N 1 1 292.382 3.783 20 30 CHEDMO C[N@@H+](CCCc1ccsc1)Cc1ccc(C#N)cc1 ZINC000361015413 1127529939 /nfs/dbraw/zinc/52/99/39/1127529939.db2.gz SQXHJVUFOQBMHZ-UHFFFAOYSA-N 1 1 270.401 3.684 20 30 CHEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597112530 1127528370 /nfs/dbraw/zinc/52/83/70/1127528370.db2.gz GDXISUPBXDMXIF-CQSZACIVSA-N 1 1 286.444 3.569 20 30 CHEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132771 1127528615 /nfs/dbraw/zinc/52/86/15/1127528615.db2.gz LWMURCHAJRKILP-MRXNPFEDSA-N 1 1 288.460 3.815 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](C4CCC4)C3)cc2)CC1 ZINC000597150121 1127530963 /nfs/dbraw/zinc/53/09/63/1127530963.db2.gz OOICTVJJJFTHPU-KRWDZBQOSA-N 1 1 280.415 3.864 20 30 CHEDMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2O1 ZINC000597174452 1127531811 /nfs/dbraw/zinc/53/18/11/1127531811.db2.gz QVYGSVJHQFCSRW-CQSZACIVSA-N 1 1 284.403 3.526 20 30 CHEDMO Cc1cc(C[NH+]2CC(CC#N)C2)ccc1Oc1cccnc1 ZINC000597194134 1127531857 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CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000708559788 1119563792 /nfs/dbraw/zinc/56/37/92/1119563792.db2.gz IUVSOIKCQZPKTD-HNNXBMFYSA-N 1 1 274.383 3.955 20 30 CHEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000657908923 1119627421 /nfs/dbraw/zinc/62/74/21/1119627421.db2.gz NBHWTYUOCDWFIT-DOTOQJQBSA-N 1 1 278.484 3.974 20 30 CHEDMO C=C[C@@H](CCCCCCC)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217883563 1119697711 /nfs/dbraw/zinc/69/77/11/1119697711.db2.gz GDEQSPMTSFFVIN-JKSUJKDBSA-N 1 1 299.455 3.589 20 30 CHEDMO CC(C)n1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000179319833 1119710285 /nfs/dbraw/zinc/71/02/85/1119710285.db2.gz DNOHSLUDFIXDQD-UHFFFAOYSA-N 1 1 296.418 3.746 20 30 CHEDMO CSc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162152 1119738367 /nfs/dbraw/zinc/73/83/67/1119738367.db2.gz FRSPNITYBQRQPI-HNNXBMFYSA-N 1 1 260.406 3.534 20 30 CHEDMO CSc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162152 1119738369 /nfs/dbraw/zinc/73/83/69/1119738369.db2.gz FRSPNITYBQRQPI-HNNXBMFYSA-N 1 1 260.406 3.534 20 30 CHEDMO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166343 1119739943 /nfs/dbraw/zinc/73/99/43/1119739943.db2.gz SEGSZJNJUVNDDR-JKSUJKDBSA-N 1 1 260.356 3.902 20 30 CHEDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166343 1119739944 /nfs/dbraw/zinc/73/99/44/1119739944.db2.gz SEGSZJNJUVNDDR-JKSUJKDBSA-N 1 1 260.356 3.902 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000612166516 1119740141 /nfs/dbraw/zinc/74/01/41/1119740141.db2.gz XCUZOGUDLOZZMQ-DLBZAZTESA-N 1 1 254.377 3.690 20 30 CHEDMO C[C@H](c1ccncc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000091985853 1119765970 /nfs/dbraw/zinc/76/59/70/1119765970.db2.gz CLPXIZHJEWOMPE-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000091985853 1119765972 /nfs/dbraw/zinc/76/59/72/1119765972.db2.gz CLPXIZHJEWOMPE-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO Cc1cc(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612406113 1119783653 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CCC[C@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753227 1119806214 /nfs/dbraw/zinc/80/62/14/1119806214.db2.gz BRWBZNOMARGBBQ-ZDUSSCGKSA-N 1 1 278.346 3.991 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000708834308 1119914357 /nfs/dbraw/zinc/91/43/57/1119914357.db2.gz FAQFELXPSBMYQR-GOSISDBHSA-N 1 1 268.404 3.960 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000613416759 1119920431 /nfs/dbraw/zinc/92/04/31/1119920431.db2.gz YFLHQEFFMZQVBU-UHFFFAOYSA-N 1 1 284.359 3.524 20 30 CHEDMO CCC(CC)[N@@H+](CC)Cc1ccc(OC)cc1C#N ZINC001137704641 1119965540 /nfs/dbraw/zinc/96/55/40/1119965540.db2.gz ONRRCTMMJONYBC-UHFFFAOYSA-N 1 1 260.381 3.577 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000472576753 1119967696 /nfs/dbraw/zinc/96/76/96/1119967696.db2.gz HWIKVSKODYFKHZ-JKSUJKDBSA-N 1 1 261.409 3.623 20 30 CHEDMO C=CCCCCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000472576939 1119968260 /nfs/dbraw/zinc/96/82/60/1119968260.db2.gz BFZFMAQOOHIBKI-MRXNPFEDSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000472576939 1119968264 /nfs/dbraw/zinc/96/82/64/1119968264.db2.gz BFZFMAQOOHIBKI-MRXNPFEDSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(C)C)CC1 ZINC000414292311 1119970055 /nfs/dbraw/zinc/97/00/55/1119970055.db2.gz BZEPOVVGLURQQM-IBGZPJMESA-N 1 1 286.463 3.636 20 30 CHEDMO N#CCC1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000334407642 1119974118 /nfs/dbraw/zinc/97/41/18/1119974118.db2.gz HMPLDDFLVIXYAP-UHFFFAOYSA-N 1 1 266.747 3.605 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000472588113 1119987619 /nfs/dbraw/zinc/98/76/19/1119987619.db2.gz CMVALAIESZONAN-XOKHGSTOSA-N 1 1 277.383 3.536 20 30 CHEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1C)c1nccs1 ZINC000186296921 1120017641 /nfs/dbraw/zinc/01/76/41/1120017641.db2.gz WJELYINWOXTXOT-INIZCTEOSA-N 1 1 285.416 3.738 20 30 CHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186315508 1120023997 /nfs/dbraw/zinc/02/39/97/1120023997.db2.gz 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CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000921761098 1120200127 /nfs/dbraw/zinc/20/01/27/1120200127.db2.gz NPJAPZVVUKMUSK-CYBMUJFWSA-N 1 1 296.399 3.737 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168666561 1120206608 /nfs/dbraw/zinc/20/66/08/1120206608.db2.gz XABANCRNEAFIKU-AEFFLSMTSA-N 1 1 289.419 3.813 20 30 CHEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000460969087 1120211027 /nfs/dbraw/zinc/21/10/27/1120211027.db2.gz JVQQZRZARWMIGP-QGZVFWFLSA-N 1 1 282.431 3.978 20 30 CHEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000515666204 1120239228 /nfs/dbraw/zinc/23/92/28/1120239228.db2.gz NUFLSSZBCSBHDK-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000188097143 1120268281 /nfs/dbraw/zinc/26/82/81/1120268281.db2.gz HMUKBSMWTYDDDZ-AWEZNQCLSA-N 1 1 275.355 3.623 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000076070284 1120275479 /nfs/dbraw/zinc/27/54/79/1120275479.db2.gz 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270.420 3.844 20 30 CHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000773973974 1122107572 /nfs/dbraw/zinc/10/75/72/1122107572.db2.gz CCCIJIGZFPWMQB-HNNXBMFYSA-N 1 1 286.419 3.990 20 30 CHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000421391368 1122111155 /nfs/dbraw/zinc/11/11/55/1122111155.db2.gz ALGVYXQEBBKORM-KRWDZBQOSA-N 1 1 280.371 3.919 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](CCSc2ccc(OC)cc2)C1 ZINC001182542128 1122174782 /nfs/dbraw/zinc/17/47/82/1122174782.db2.gz BKSXFHAOLIIWFN-OAHLLOKOSA-N 1 1 289.444 3.523 20 30 CHEDMO CCCCCCCC[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001206542071 1122190280 /nfs/dbraw/zinc/19/02/80/1122190280.db2.gz QQTRLLKRULTAEC-INIZCTEOSA-N 1 1 254.462 3.798 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001206542071 1122190283 /nfs/dbraw/zinc/19/02/83/1122190283.db2.gz QQTRLLKRULTAEC-INIZCTEOSA-N 1 1 254.462 3.798 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000076153089 1129046984 /nfs/dbraw/zinc/04/69/84/1129046984.db2.gz 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C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCn1cccn1 ZINC000425538829 1122544344 /nfs/dbraw/zinc/54/43/44/1122544344.db2.gz SOIGFTLWWUBBKV-INIZCTEOSA-N 1 1 296.418 3.618 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC001190790941 1122554521 /nfs/dbraw/zinc/55/45/21/1122554521.db2.gz GWWCFJBOVQWTQE-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC001190790941 1122554524 /nfs/dbraw/zinc/55/45/24/1122554524.db2.gz GWWCFJBOVQWTQE-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001191133856 1122579598 /nfs/dbraw/zinc/57/95/98/1122579598.db2.gz TXEICMLQEIVXLB-QGZVFWFLSA-N 1 1 292.467 3.598 20 30 CHEDMO CCCCCCCC(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001270134206 1122587595 /nfs/dbraw/zinc/58/75/95/1122587595.db2.gz IXDGDAMJQFLQEO-SFHVURJKSA-N 1 1 294.483 3.681 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCC)c(OCC)c1 ZINC000505897701 1122592724 /nfs/dbraw/zinc/59/27/24/1122592724.db2.gz HXQITLUEPJGLOC-UHFFFAOYSA-N 1 1 277.408 3.882 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc2ncccc12 ZINC001191366147 1122596763 /nfs/dbraw/zinc/59/67/63/1122596763.db2.gz DVLFNZDGLYYIFZ-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC001191453465 1122598060 /nfs/dbraw/zinc/59/80/60/1122598060.db2.gz FICWWLNTTQTICP-YTQUADARSA-N 1 1 287.447 3.829 20 30 CHEDMO CCCCCCCCC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001270164228 1122606866 /nfs/dbraw/zinc/60/68/66/1122606866.db2.gz RGYCLHKNFJKHED-UHFFFAOYSA-N 1 1 294.483 3.681 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000516606357 1122615521 /nfs/dbraw/zinc/61/55/21/1122615521.db2.gz IDBHPSDUUZJXMW-SFHVURJKSA-N 1 1 273.420 3.979 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000437122339 1122615958 /nfs/dbraw/zinc/61/59/58/1122615958.db2.gz IRZOJYKXBSYUIQ-UHFFFAOYSA-N 1 1 281.403 3.857 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437414558 1122633860 /nfs/dbraw/zinc/63/38/60/1122633860.db2.gz 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ZINC000426377665 1122777987 /nfs/dbraw/zinc/77/79/87/1122777987.db2.gz DGRQYUADKYYMMF-UHFFFAOYSA-N 1 1 281.786 3.750 20 30 CHEDMO Cc1ccc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)o1 ZINC000426417879 1122788973 /nfs/dbraw/zinc/78/89/73/1122788973.db2.gz UPOXIKHGVKGKMQ-UHFFFAOYSA-N 1 1 273.763 3.725 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)o1 ZINC000426417879 1122788974 /nfs/dbraw/zinc/78/89/74/1122788974.db2.gz UPOXIKHGVKGKMQ-UHFFFAOYSA-N 1 1 273.763 3.725 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000426426338 1122791085 /nfs/dbraw/zinc/79/10/85/1122791085.db2.gz HDFWMAQJDLWRLZ-CHWSQXEVSA-N 1 1 281.321 3.787 20 30 CHEDMO C=CCC[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001194690833 1122792703 /nfs/dbraw/zinc/79/27/03/1122792703.db2.gz FILSVWUQJJTWIX-UHFFFAOYSA-N 1 1 278.827 3.817 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000426541370 1122817967 /nfs/dbraw/zinc/81/79/67/1122817967.db2.gz BFARCBUDUPCUDX-LBPRGKRZSA-N 1 1 285.309 3.968 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000426554173 1122818970 /nfs/dbraw/zinc/81/89/70/1122818970.db2.gz GMEKSZPRAXIOOG-OAHLLOKOSA-N 1 1 258.340 3.848 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)c(OC)c1 ZINC000426551100 1122819437 /nfs/dbraw/zinc/81/94/37/1122819437.db2.gz FAKOZXWOBFNPGL-OAHLLOKOSA-N 1 1 275.392 3.634 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000426553803 1122820449 /nfs/dbraw/zinc/82/04/49/1122820449.db2.gz RMGYVAHQZUMEOR-ZDUSSCGKSA-N 1 1 285.416 3.746 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000426566000 1122823098 /nfs/dbraw/zinc/82/30/98/1122823098.db2.gz DIGUPKIYAZNQLU-CHWSQXEVSA-N 1 1 276.449 3.808 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000426566000 1122823106 /nfs/dbraw/zinc/82/31/06/1122823106.db2.gz DIGUPKIYAZNQLU-CHWSQXEVSA-N 1 1 276.449 3.808 20 30 CHEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001194922900 1122823692 /nfs/dbraw/zinc/82/36/92/1122823692.db2.gz CVYVQNRPNLZOFU-HOTGVXAUSA-N 1 1 298.471 3.803 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)c(F)c1 ZINC000426571966 1122825137 /nfs/dbraw/zinc/82/51/37/1122825137.db2.gz XKMRVCRWHAJUDT-CQSZACIVSA-N 1 1 263.356 3.765 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(OC)c(OC)c1 ZINC000426568706 1122825110 /nfs/dbraw/zinc/82/51/10/1122825110.db2.gz SKPLYCPRGJNTAP-CYBMUJFWSA-N 1 1 295.810 3.898 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)c(OC)c1 ZINC000426568706 1122825111 /nfs/dbraw/zinc/82/51/11/1122825111.db2.gz SKPLYCPRGJNTAP-CYBMUJFWSA-N 1 1 295.810 3.898 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000775630759 1122836697 /nfs/dbraw/zinc/83/66/97/1122836697.db2.gz DGWQOXIISBUXRX-UHFFFAOYSA-N 1 1 271.360 3.954 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000183678580 1129081406 /nfs/dbraw/zinc/08/14/06/1129081406.db2.gz FMZBMVLQVAQFDO-CABCVRRESA-N 1 1 295.386 3.565 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000440368732 1122842200 /nfs/dbraw/zinc/84/22/00/1122842200.db2.gz UJDVPDJXINHUFL-CQSZACIVSA-N 1 1 279.424 3.641 20 30 CHEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000775641981 1122850546 /nfs/dbraw/zinc/85/05/46/1122850546.db2.gz SNZJMNPYIDHQPB-GJZGRUSLSA-N 1 1 296.455 3.578 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)o1 ZINC001203300522 1122855302 /nfs/dbraw/zinc/85/53/02/1122855302.db2.gz MPFSMLRNXZIJIZ-QGZVFWFLSA-N 1 1 296.370 3.503 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894469773 1122859445 /nfs/dbraw/zinc/85/94/45/1122859445.db2.gz PVZKNYOWNVBLEU-SNVBAGLBSA-N 1 1 279.796 3.732 20 30 CHEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000358560540 1122862096 /nfs/dbraw/zinc/86/20/96/1122862096.db2.gz FBWYESPOHIXLQG-UGSOOPFHSA-N 1 1 298.361 3.736 20 30 CHEDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC001195368538 1122865982 /nfs/dbraw/zinc/86/59/82/1122865982.db2.gz WSMXQUQNAHYMOE-APWZRJJASA-N 1 1 299.462 3.814 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](CCCc2ccc(C)cc2)C1 ZINC001195463940 1122869935 /nfs/dbraw/zinc/86/99/35/1122869935.db2.gz PPSUGEHNKRMHMS-SFHVURJKSA-N 1 1 255.405 3.663 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001203811167 1122879233 /nfs/dbraw/zinc/87/92/33/1122879233.db2.gz NREGMYWDJRCXHY-NSHDSACASA-N 1 1 268.187 3.839 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001203811167 1122879238 /nfs/dbraw/zinc/87/92/38/1122879238.db2.gz NREGMYWDJRCXHY-NSHDSACASA-N 1 1 268.187 3.839 20 30 CHEDMO C#CC[N@H+](Cc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001203822542 1122898860 /nfs/dbraw/zinc/89/88/60/1122898860.db2.gz MXSCHQWLLNVRMY-HXUWFJFHSA-N 1 1 291.394 3.818 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC001195953876 1122900117 /nfs/dbraw/zinc/90/01/17/1122900117.db2.gz DMIBLFIXPKYSLK-OAHLLOKOSA-N 1 1 271.404 3.547 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC001196441153 1122921449 /nfs/dbraw/zinc/92/14/49/1122921449.db2.gz JNHHCPBJIJSUEY-AWEZNQCLSA-N 1 1 253.455 3.950 20 30 CHEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507143447 1122929927 /nfs/dbraw/zinc/92/99/27/1122929927.db2.gz MVSZRJYSHXXIMD-GOSISDBHSA-N 1 1 296.370 3.669 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CCOC)C2CC2)cc1Cl ZINC000507170186 1122935211 /nfs/dbraw/zinc/93/52/11/1122935211.db2.gz LXPFPWAJIZRXEC-UHFFFAOYSA-N 1 1 295.810 3.516 20 30 CHEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)o2)c(C)c1 ZINC000507231425 1122942781 /nfs/dbraw/zinc/94/27/81/1122942781.db2.gz MBZOGODEEBZNAK-CQSZACIVSA-N 1 1 268.360 3.961 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)C(C)C)cc(OC)c1O ZINC000507251000 1122943027 /nfs/dbraw/zinc/94/30/27/1122943027.db2.gz FBFDSWYDPHYBAD-ZDUSSCGKSA-N 1 1 277.408 3.606 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001197314440 1122950921 /nfs/dbraw/zinc/95/09/21/1122950921.db2.gz FSZSLLFCLKLCEE-QGZVFWFLSA-N 1 1 273.420 3.766 20 30 CHEDMO CCc1nocc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507428741 1122954467 /nfs/dbraw/zinc/95/44/67/1122954467.db2.gz ZXVGLNJWFIIKJF-UHFFFAOYSA-N 1 1 297.402 3.767 20 30 CHEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001197422450 1122956002 /nfs/dbraw/zinc/95/60/02/1122956002.db2.gz QZHMPBPUSNGNGT-SFHVURJKSA-N 1 1 272.436 3.549 20 30 CHEDMO C=CCCN(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197422450 1122956005 /nfs/dbraw/zinc/95/60/05/1122956005.db2.gz QZHMPBPUSNGNGT-SFHVURJKSA-N 1 1 272.436 3.549 20 30 CHEDMO C=CCCN(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001197422450 1122956009 /nfs/dbraw/zinc/95/60/09/1122956009.db2.gz QZHMPBPUSNGNGT-SFHVURJKSA-N 1 1 272.436 3.549 20 30 CHEDMO C=C(C)C[N@@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001197621945 1122961047 /nfs/dbraw/zinc/96/10/47/1122961047.db2.gz LYHIYPQAZVNFBC-BZSNNMDCSA-N 1 1 299.414 3.549 20 30 CHEDMO CC[N@@H+](Cc1ccc(C2CCC2)cc1)C[C@@H](C)C#N ZINC000507583008 1122965941 /nfs/dbraw/zinc/96/59/41/1122965941.db2.gz NYBDNNSSPLMRRM-AWEZNQCLSA-N 1 1 256.393 3.936 20 30 CHEDMO CC[N@H+](Cc1ccc(C2CCC2)cc1)C[C@@H](C)C#N ZINC000507583008 1122965943 /nfs/dbraw/zinc/96/59/43/1122965943.db2.gz NYBDNNSSPLMRRM-AWEZNQCLSA-N 1 1 256.393 3.936 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC001197701863 1122966644 /nfs/dbraw/zinc/96/66/44/1122966644.db2.gz PAYYZNKGQCQRST-ZDUSSCGKSA-N 1 1 292.220 3.603 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)C(C)C ZINC001198026193 1122979817 /nfs/dbraw/zinc/97/98/17/1122979817.db2.gz AXGKNQKBTOITBH-UHFFFAOYSA-N 1 1 284.447 3.829 20 30 CHEDMO C#CC[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCCc2ccccc21 ZINC001198104703 1122981943 /nfs/dbraw/zinc/98/19/43/1122981943.db2.gz QUQOXTGZZOCUSN-YSIASYRMSA-N 1 1 297.442 3.550 20 30 CHEDMO CCCCCCCCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC001198202104 1122982905 /nfs/dbraw/zinc/98/29/05/1122982905.db2.gz JDXAVMLSDASLIT-KRWDZBQOSA-N 1 1 293.455 3.544 20 30 CHEDMO CCCCCCCCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC001198202104 1122982910 /nfs/dbraw/zinc/98/29/10/1122982910.db2.gz JDXAVMLSDASLIT-KRWDZBQOSA-N 1 1 293.455 3.544 20 30 CHEDMO C[C@]12C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198252480 1122986009 /nfs/dbraw/zinc/98/60/09/1122986009.db2.gz VQQDDNJIJKLLAY-OGWHTMIXSA-N 1 1 297.829 3.836 20 30 CHEDMO C=CCC[C@H]1CCC[N@H+]1CCSc1ccncc1 ZINC001198414197 1122990924 /nfs/dbraw/zinc/99/09/24/1122990924.db2.gz GYHGLXIAEGGVNE-AWEZNQCLSA-N 1 1 262.422 3.604 20 30 CHEDMO C=CCCC[N@H+](CC)CCO[C@H]1CCCC[C@@H]1C ZINC001198457880 1122992169 /nfs/dbraw/zinc/99/21/69/1122992169.db2.gz NHSHNQBIDUVLQM-HOTGVXAUSA-N 1 1 253.430 3.870 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC001198491778 1122994006 /nfs/dbraw/zinc/99/40/06/1122994006.db2.gz VBBRQDAOLJHULC-HNNXBMFYSA-N 1 1 252.361 3.694 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001198491537 1122994074 /nfs/dbraw/zinc/99/40/74/1122994074.db2.gz SBBQEINRUUYFOI-RDTXWAMCSA-N 1 1 294.398 3.817 20 30 CHEDMO COCc1ccccc1/C=C(\C)C[N@H+](C)CC(C)(C)C#N ZINC000519726253 1123019318 /nfs/dbraw/zinc/01/93/18/1123019318.db2.gz UPKZPIRKMPFRQC-XNTDXEJSSA-N 1 1 286.419 3.718 20 30 CHEDMO COCc1ccccc1/C=C(\C)C[N@@H+](C)CC(C)(C)C#N ZINC000519726253 1123019320 /nfs/dbraw/zinc/01/93/20/1123019320.db2.gz UPKZPIRKMPFRQC-XNTDXEJSSA-N 1 1 286.419 3.718 20 30 CHEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(C(F)F)c1C#N ZINC000519834907 1123027819 /nfs/dbraw/zinc/02/78/19/1123027819.db2.gz MKKJIQVKIUKDGS-LLVKDONJSA-N 1 1 281.350 3.636 20 30 CHEDMO CS[C@@H]1CCCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000441127772 1123060222 /nfs/dbraw/zinc/06/02/22/1123060222.db2.gz CHGGPFZQOBEUGF-MRXNPFEDSA-N 1 1 293.863 3.909 20 30 CHEDMO COc1ccccc1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000441155074 1123063033 /nfs/dbraw/zinc/06/30/33/1123063033.db2.gz LAMRVLTUYNUYES-UHFFFAOYSA-N 1 1 299.801 3.832 20 30 CHEDMO COc1ccccc1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441155074 1123063039 /nfs/dbraw/zinc/06/30/39/1123063039.db2.gz LAMRVLTUYNUYES-UHFFFAOYSA-N 1 1 299.801 3.832 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1ccccc1Cl)C1CCC1 ZINC000441228903 1123070712 /nfs/dbraw/zinc/07/07/12/1123070712.db2.gz KCBAJVBLHXJRNR-UHFFFAOYSA-N 1 1 261.796 3.954 20 30 CHEDMO C=CCCC[N@H+](C)CCOc1ccc(SC)cc1 ZINC000441376218 1123086635 /nfs/dbraw/zinc/08/66/35/1123086635.db2.gz DAHHAYFFAMQWQT-UHFFFAOYSA-N 1 1 265.422 3.685 20 30 CHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)cc1 ZINC001201430065 1123099848 /nfs/dbraw/zinc/09/98/48/1123099848.db2.gz XUVKXGAWLOZNOI-IEBWSBKVSA-N 1 1 296.414 3.758 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001201630582 1123128952 /nfs/dbraw/zinc/12/89/52/1123128952.db2.gz CHNUPRAZHBBUTN-HZPDHXFCSA-N 1 1 273.436 3.922 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000269013956 1129101047 /nfs/dbraw/zinc/10/10/47/1129101047.db2.gz NXDTYFGWOXHNGG-HNNXBMFYSA-N 1 1 256.393 3.981 20 30 CHEDMO CCCCCCC[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001201761433 1123147921 /nfs/dbraw/zinc/14/79/21/1123147921.db2.gz FBRGVXOEKBXACJ-ZDUSSCGKSA-N 1 1 281.362 3.736 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001201804335 1123150296 /nfs/dbraw/zinc/15/02/96/1123150296.db2.gz IAFXOAVROXBCAJ-HNNXBMFYSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@](O)(CF)CC1 ZINC001201804337 1123150442 /nfs/dbraw/zinc/15/04/42/1123150442.db2.gz IAFXOAVROXBCAJ-OAHLLOKOSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001201776872 1123151378 /nfs/dbraw/zinc/15/13/78/1123151378.db2.gz OLTREHWFDOBFLH-SFHVURJKSA-N 1 1 294.483 3.824 20 30 CHEDMO CCCCCCC[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001201777203 1123151385 /nfs/dbraw/zinc/15/13/85/1123151385.db2.gz SVJUTDDTVMOPTJ-UHFFFAOYSA-N 1 1 287.451 3.725 20 30 CHEDMO CCCCCCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201788148 1123151965 /nfs/dbraw/zinc/15/19/65/1123151965.db2.gz YKMKAZGCYNJXLQ-GOSISDBHSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H]1c1cnccn1 ZINC001201826354 1123153354 /nfs/dbraw/zinc/15/33/54/1123153354.db2.gz SVFKPJNIPURGOA-INIZCTEOSA-N 1 1 261.413 3.974 20 30 CHEDMO CCCCCCCCC[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001201838698 1123154160 /nfs/dbraw/zinc/15/41/60/1123154160.db2.gz DIXBOEKLXQQEOF-GASCZTMLSA-N 1 1 251.414 3.933 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001201839303 1123154325 /nfs/dbraw/zinc/15/43/25/1123154325.db2.gz KPNNKPCNTYVRHT-CVEARBPZSA-N 1 1 255.446 3.830 20 30 CHEDMO N#Cc1cc(C[NH2+]Cc2ccc(Cl)cc2F)cs1 ZINC001202091996 1123174389 /nfs/dbraw/zinc/17/43/89/1123174389.db2.gz AVQVIBAQTAQWCH-UHFFFAOYSA-N 1 1 280.755 3.702 20 30 CHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](CC3CCCC3)C2)cc1 ZINC001202189947 1123184479 /nfs/dbraw/zinc/18/44/79/1123184479.db2.gz HCFBSHNXNGCPFU-GOSISDBHSA-N 1 1 284.403 3.592 20 30 CHEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000797526369 1123192195 /nfs/dbraw/zinc/19/21/95/1123192195.db2.gz NTUSLKWQVCMBLL-GFCCVEGCSA-N 1 1 290.794 3.640 20 30 CHEDMO C[C@H]1CC[N@H+](CC2(C#N)CC2)[C@H]1c1cccc(F)c1 ZINC000343313222 1123199881 /nfs/dbraw/zinc/19/98/81/1123199881.db2.gz GDVWQOLDVISLCF-SWLSCSKDSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(C#N)CC2)[C@H]1c1cccc(F)c1 ZINC000343313222 1123199883 /nfs/dbraw/zinc/19/98/83/1123199883.db2.gz GDVWQOLDVISLCF-SWLSCSKDSA-N 1 1 258.340 3.512 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCS[C@H](C)CC2)c1 ZINC000190700530 1123200025 /nfs/dbraw/zinc/20/00/25/1123200025.db2.gz WGNFPNIXZACRLN-CQSZACIVSA-N 1 1 277.433 3.579 20 30 CHEDMO C=CCc1cc(C[N@@H+](CC(C)C)C2CC2)cc(OC)c1O ZINC000508012295 1123254833 /nfs/dbraw/zinc/25/48/33/1123254833.db2.gz JSXQLEXKIVNGDG-UHFFFAOYSA-N 1 1 289.419 3.750 20 30 CHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428235533 1123284399 /nfs/dbraw/zinc/28/43/99/1123284399.db2.gz HMEIXWXAWFZYET-CYBMUJFWSA-N 1 1 260.356 3.565 20 30 CHEDMO COc1cc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1C#N ZINC000442838470 1123342675 /nfs/dbraw/zinc/34/26/75/1123342675.db2.gz SQRYQAZNCCCTMS-XKQJLSEDSA-N 1 1 284.403 3.577 20 30 CHEDMO COc1cc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)ccc1C#N ZINC000442841510 1123342996 /nfs/dbraw/zinc/34/29/96/1123342996.db2.gz GHWGWMABOFLESB-KDOFPFPSSA-N 1 1 284.403 3.579 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)ccc1C#N ZINC000442882768 1123347064 /nfs/dbraw/zinc/34/70/64/1123347064.db2.gz SLIYJAYDHKSHOA-IBGZPJMESA-N 1 1 296.414 3.889 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccsc2)oc1C ZINC000852099064 1123397259 /nfs/dbraw/zinc/39/72/59/1123397259.db2.gz CRNAFNNLEBEZGR-OAHLLOKOSA-N 1 1 274.389 3.603 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCC2CCCC2)C1 ZINC000852329640 1123403198 /nfs/dbraw/zinc/40/31/98/1123403198.db2.gz FUUNBAYOITWCFH-LJQANCHMSA-N 1 1 297.446 3.909 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC000852329640 1123403201 /nfs/dbraw/zinc/40/32/01/1123403201.db2.gz FUUNBAYOITWCFH-LJQANCHMSA-N 1 1 297.446 3.909 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC2CCCC2)C1 ZINC000852329347 1123403727 /nfs/dbraw/zinc/40/37/27/1123403727.db2.gz YOPNYQFMSWMGJO-GOSISDBHSA-N 1 1 283.419 3.519 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC2CCCC2)C1 ZINC000852329347 1123403731 /nfs/dbraw/zinc/40/37/31/1123403731.db2.gz YOPNYQFMSWMGJO-GOSISDBHSA-N 1 1 283.419 3.519 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000852408767 1123404312 /nfs/dbraw/zinc/40/43/12/1123404312.db2.gz AJFOZTBZYYLPIM-GFCCVEGCSA-N 1 1 250.773 3.523 20 30 CHEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)C(C)(C)C ZINC000852554214 1123409257 /nfs/dbraw/zinc/40/92/57/1123409257.db2.gz GRWUSIGJRBQIQX-UHFFFAOYSA-N 1 1 285.387 3.888 20 30 CHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CC2CCC2)cc1 ZINC000852712708 1123412560 /nfs/dbraw/zinc/41/25/60/1123412560.db2.gz UGOYJMKNCHTEMU-OALUTQOASA-N 1 1 298.430 3.636 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000852787143 1123416104 /nfs/dbraw/zinc/41/61/04/1123416104.db2.gz IVSJBBBUFNSYMD-WMZOPIPTSA-N 1 1 284.403 3.744 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccnn1-c1ccccc1C ZINC000474101341 1123438218 /nfs/dbraw/zinc/43/82/18/1123438218.db2.gz XVGLJGGDKLQXGV-UHFFFAOYSA-N 1 1 269.392 3.579 20 30 CHEDMO CC[C@@H](CC#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024296 1123460217 /nfs/dbraw/zinc/46/02/17/1123460217.db2.gz DSMFTACDWMLWKT-NBMJBFSESA-N 1 1 299.462 3.710 20 30 CHEDMO Cc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776770281 1123502734 /nfs/dbraw/zinc/50/27/34/1123502734.db2.gz RQMBIYHPYWPTEG-NSHDSACASA-N 1 1 255.296 3.574 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1ccc(SC(C)C)cc1 ZINC000779807314 1129125896 /nfs/dbraw/zinc/12/58/96/1129125896.db2.gz ROSMZBRVNWGQNV-UHFFFAOYSA-N 1 1 285.416 3.840 20 30 CHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000399008333 1123508075 /nfs/dbraw/zinc/50/80/75/1123508075.db2.gz VTZSYTWQWLSSTI-YOEHRIQHSA-N 1 1 256.393 3.763 20 30 CHEDMO Cc1csc(C[C@H]2CCC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000895823783 1123517767 /nfs/dbraw/zinc/51/77/67/1123517767.db2.gz SCHCPYUHXLZMQM-DZGCQCFKSA-N 1 1 291.464 3.646 20 30 CHEDMO CCC(CC)[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141905007 1123608769 /nfs/dbraw/zinc/60/87/69/1123608769.db2.gz MLVBTYMPGGMPCS-UHFFFAOYSA-N 1 1 295.224 3.941 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCOCCC#N ZINC000339006360 1123618177 /nfs/dbraw/zinc/61/81/77/1123618177.db2.gz GFMCVAIQTYMBDJ-GOSISDBHSA-N 1 1 288.435 3.568 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCC1(OC)CCC1 ZINC000339009203 1123627677 /nfs/dbraw/zinc/62/76/77/1123627677.db2.gz BKZMNSGMIGLNPI-UHFFFAOYSA-N 1 1 266.429 3.597 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(SC)n1)C1CCCCC1 ZINC001141929366 1123642955 /nfs/dbraw/zinc/64/29/55/1123642955.db2.gz SGQIBILQKFZBOI-UHFFFAOYSA-N 1 1 289.448 3.830 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nc(C)cs1)c1ccncc1 ZINC000858365485 1123648104 /nfs/dbraw/zinc/64/81/04/1123648104.db2.gz OIWUFFYSTQISKT-GXTWGEPZSA-N 1 1 273.405 3.815 20 30 CHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C2CCCC2)c1O ZINC000194572243 1129136388 /nfs/dbraw/zinc/13/63/88/1129136388.db2.gz KTHKODTVSMKWOU-UHFFFAOYSA-N 1 1 275.392 3.504 20 30 CHEDMO CCC[N@H+](CCCC#N)Cc1ccccc1Br ZINC000346639947 1123704387 /nfs/dbraw/zinc/70/43/87/1123704387.db2.gz ULEJGYZWCGGAOU-UHFFFAOYSA-N 1 1 295.224 3.965 20 30 CHEDMO CCC[N@@H+](CCCC#N)Cc1ccccc1Br ZINC000346639947 1123704389 /nfs/dbraw/zinc/70/43/89/1123704389.db2.gz ULEJGYZWCGGAOU-UHFFFAOYSA-N 1 1 295.224 3.965 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928271 1123716011 /nfs/dbraw/zinc/71/60/11/1123716011.db2.gz HXEMZEXYLLRRNH-SLFFLAALSA-N 1 1 288.394 3.794 20 30 CHEDMO C=CCCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000522775922 1123727958 /nfs/dbraw/zinc/72/79/58/1123727958.db2.gz QJZABMZURGSXIP-SFHVURJKSA-N 1 1 289.419 3.642 20 30 CHEDMO C=CCCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000522775921 1123728057 /nfs/dbraw/zinc/72/80/57/1123728057.db2.gz QJZABMZURGSXIP-GOSISDBHSA-N 1 1 289.419 3.642 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000542631630 1129141277 /nfs/dbraw/zinc/14/12/77/1129141277.db2.gz HIQCNIMBRLNDQI-MRXNPFEDSA-N 1 1 272.392 3.721 20 30 CHEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000740423358 1123751000 /nfs/dbraw/zinc/75/10/00/1123751000.db2.gz HSEDCUHSVHYIRS-JQWIXIFHSA-N 1 1 260.219 3.796 20 30 CHEDMO CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)C#N ZINC000042287655 1123783328 /nfs/dbraw/zinc/78/33/28/1123783328.db2.gz YEKYKXJKEKQJRQ-AWEZNQCLSA-N 1 1 258.409 3.966 20 30 CHEDMO CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)C#N ZINC000042287655 1123783330 /nfs/dbraw/zinc/78/33/30/1123783330.db2.gz YEKYKXJKEKQJRQ-AWEZNQCLSA-N 1 1 258.409 3.966 20 30 CHEDMO C=CC[N@@H+](Cc1cc(C)c(Br)cn1)C(C)C ZINC000862223503 1123792705 /nfs/dbraw/zinc/79/27/05/1123792705.db2.gz HWSCNDLXCNRRGM-UHFFFAOYSA-N 1 1 283.213 3.549 20 30 CHEDMO CC[N@@H+](Cc1ccnc(F)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000862222643 1123792952 /nfs/dbraw/zinc/79/29/52/1123792952.db2.gz HOMAQPMXDFQAHI-AWEZNQCLSA-N 1 1 297.377 3.984 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000862440166 1123810222 /nfs/dbraw/zinc/81/02/22/1123810222.db2.gz FMLJOBIHVZKLBW-NSHDSACASA-N 1 1 296.208 3.553 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000862440166 1123810227 /nfs/dbraw/zinc/81/02/27/1123810227.db2.gz FMLJOBIHVZKLBW-NSHDSACASA-N 1 1 296.208 3.553 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000862446765 1123811166 /nfs/dbraw/zinc/81/11/66/1123811166.db2.gz DFPMFCBVNQGUPC-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000862443684 1123811215 /nfs/dbraw/zinc/81/12/15/1123811215.db2.gz RWFNBRQLOBPSJM-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000862447331 1123811311 /nfs/dbraw/zinc/81/13/11/1123811311.db2.gz LRTVVGOGTNDLGM-JTQLQIEISA-N 1 1 273.323 3.612 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000862445416 1123811642 /nfs/dbraw/zinc/81/16/42/1123811642.db2.gz SRCXWWYCBCCOCU-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000186247930 1123818917 /nfs/dbraw/zinc/81/89/17/1123818917.db2.gz XNAYLWHEYPDERL-LJQANCHMSA-N 1 1 293.414 3.932 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000186262056 1123821176 /nfs/dbraw/zinc/82/11/76/1123821176.db2.gz REOURZMVNHNUTE-GOSISDBHSA-N 1 1 279.387 3.542 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000119028617 1123824681 /nfs/dbraw/zinc/82/46/81/1123824681.db2.gz NSLKGGNUSMCIMP-UHFFFAOYSA-N 1 1 280.378 3.527 20 30 CHEDMO Clc1ccc([C@H]2CCC(=[NH+]n3cccn3)C2)cc1 ZINC000863163706 1123848519 /nfs/dbraw/zinc/84/85/19/1123848519.db2.gz MRYPVFZLPNUCFY-LBPRGKRZSA-N 1 1 259.740 3.708 20 30 CHEDMO CN(C)c1ccc(C=[NH+]NC2CCCC2)c(C(F)(F)F)c1 ZINC000794506912 1123858695 /nfs/dbraw/zinc/85/86/95/1123858695.db2.gz VJHHSBZTBBYXJX-UHFFFAOYSA-N 1 1 299.340 3.638 20 30 CHEDMO C=CC[N@@H+](C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168065673 1123875124 /nfs/dbraw/zinc/87/51/24/1123875124.db2.gz XKZWKBKPQHFPND-HZPDHXFCSA-N 1 1 272.436 3.546 20 30 CHEDMO C=CC[N@H+](C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168065673 1123875129 /nfs/dbraw/zinc/87/51/29/1123875129.db2.gz XKZWKBKPQHFPND-HZPDHXFCSA-N 1 1 272.436 3.546 20 30 CHEDMO C=CCN(C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168065673 1123875135 /nfs/dbraw/zinc/87/51/35/1123875135.db2.gz XKZWKBKPQHFPND-HZPDHXFCSA-N 1 1 272.436 3.546 20 30 CHEDMO CCc1cc(C[N@H+](C)Cc2ccccc2F)ccc1C#N ZINC001238773828 1131243962 /nfs/dbraw/zinc/24/39/62/1131243962.db2.gz DTFQQLKFNVAWTG-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2ccccc2F)ccc1C#N ZINC001238773828 1131243967 /nfs/dbraw/zinc/24/39/67/1131243967.db2.gz DTFQQLKFNVAWTG-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000475565409 1124013283 /nfs/dbraw/zinc/01/32/83/1124013283.db2.gz PLCRWVQVUODTTA-GOSISDBHSA-N 1 1 294.373 3.995 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]2CCCC[C@@H]21 ZINC000428363229 1124017169 /nfs/dbraw/zinc/01/71/69/1124017169.db2.gz PZURCCCFCLMDNY-SUYBPPKGSA-N 1 1 272.367 3.708 20 30 CHEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000093315844 1124022199 /nfs/dbraw/zinc/02/21/99/1124022199.db2.gz QFPGRNOQVBKPGC-HNNXBMFYSA-N 1 1 295.382 3.597 20 30 CHEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)CC1CCCCC1 ZINC000444647984 1124048753 /nfs/dbraw/zinc/04/87/53/1124048753.db2.gz IOSHRXRMBFIWOT-KRWDZBQOSA-N 1 1 281.440 3.598 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C ZINC000444658207 1124049608 /nfs/dbraw/zinc/04/96/08/1124049608.db2.gz MWUMERWCFMTCJP-YOEHRIQHSA-N 1 1 256.393 3.959 20 30 CHEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000444696148 1124054854 /nfs/dbraw/zinc/05/48/54/1124054854.db2.gz HEWJQYLPVFQBKJ-UHFFFAOYSA-N 1 1 289.300 3.587 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000444696148 1124054857 /nfs/dbraw/zinc/05/48/57/1124054857.db2.gz HEWJQYLPVFQBKJ-UHFFFAOYSA-N 1 1 289.300 3.587 20 30 CHEDMO CC#CCC[N@@H+](C)Cc1ccc(Br)cc1C ZINC000444708774 1124056774 /nfs/dbraw/zinc/05/67/74/1124056774.db2.gz PGRDOQZWWWYADY-UHFFFAOYSA-N 1 1 280.209 3.603 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2occc2C(=O)OC)CCCC1(C)C ZINC000444780846 1124060424 /nfs/dbraw/zinc/06/04/24/1124060424.db2.gz GFMULIQLLFQHSQ-HNNXBMFYSA-N 1 1 291.391 3.633 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000428392292 1124075389 /nfs/dbraw/zinc/07/53/89/1124075389.db2.gz ZCFKZNJEAOUJNR-UHFFFAOYSA-N 1 1 283.799 3.755 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](OC(C)C)c1ccccc1 ZINC000428424820 1124107055 /nfs/dbraw/zinc/10/70/55/1124107055.db2.gz SRGJMRJOZCYMRX-RDJZCZTQSA-N 1 1 274.408 3.634 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](OC(C)C)c1ccccc1 ZINC000428424820 1124107056 /nfs/dbraw/zinc/10/70/56/1124107056.db2.gz SRGJMRJOZCYMRX-RDJZCZTQSA-N 1 1 274.408 3.634 20 30 CHEDMO CC1(C)CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000446071415 1124109318 /nfs/dbraw/zinc/10/93/18/1124109318.db2.gz PUYRTUWJRZTQDK-UHFFFAOYSA-N 1 1 256.393 3.765 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cn2c(n1)CCCC2)c1cccc(C#N)c1 ZINC000925184265 1124116206 /nfs/dbraw/zinc/11/62/06/1124116206.db2.gz AGOCCBQSWQDHOY-KGLIPLIRSA-N 1 1 294.402 3.503 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000446765682 1124121535 /nfs/dbraw/zinc/12/15/35/1124121535.db2.gz OWIXTXNTUOFWCS-UHFFFAOYSA-N 1 1 267.347 3.618 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000446765219 1124121631 /nfs/dbraw/zinc/12/16/31/1124121631.db2.gz NHMJBBNTANZZFH-ZDUSSCGKSA-N 1 1 273.807 3.954 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cnc3n[nH]c(C)c3c2)CCCC1(C)C ZINC000446831783 1124124796 /nfs/dbraw/zinc/12/47/96/1124124796.db2.gz ITSWCHJXHVVSFS-INIZCTEOSA-N 1 1 298.434 3.833 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428459591 1124129173 /nfs/dbraw/zinc/12/91/73/1124129173.db2.gz MSLHXTOQJLLQKA-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428459591 1124129174 /nfs/dbraw/zinc/12/91/74/1124129174.db2.gz MSLHXTOQJLLQKA-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C=CCC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012193 1129170062 /nfs/dbraw/zinc/17/00/62/1129170062.db2.gz RUEWUZVTYNCFTE-LSDHHAIUSA-N 1 1 276.424 3.655 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1C#N ZINC001238774728 1131244039 /nfs/dbraw/zinc/24/40/39/1131244039.db2.gz KPZXJBSTNKMFLD-UHFFFAOYSA-N 1 1 289.382 3.624 20 30 CHEDMO CCc1cc(C[N@@H+](C)Cc2cccs2)ccc1C#N ZINC001238774732 1131244590 /nfs/dbraw/zinc/24/45/90/1131244590.db2.gz KTXXONRVXOOOGJ-UHFFFAOYSA-N 1 1 270.401 3.814 20 30 CHEDMO CCc1cc(C[N@H+](CC)Cc2ccccn2)ccc1C#N ZINC001238779322 1131244671 /nfs/dbraw/zinc/24/46/71/1131244671.db2.gz VQVKCSVVUQFYCS-UHFFFAOYSA-N 1 1 279.387 3.538 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1C#N ZINC001238778526 1131245137 /nfs/dbraw/zinc/24/51/37/1131245137.db2.gz NYXNILUNMBJVML-FUHWJXTLSA-N 1 1 268.404 3.885 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170934245 1131258481 /nfs/dbraw/zinc/25/84/81/1131258481.db2.gz LUVMEHWFPVPZAT-HIFRSBDPSA-N 1 1 288.822 3.823 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000428476835 1124458269 /nfs/dbraw/zinc/45/82/69/1124458269.db2.gz YMUVYJWQQUPWRY-KRWDZBQOSA-N 1 1 294.373 3.904 20 30 CHEDMO CC[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511213 1124483180 /nfs/dbraw/zinc/48/31/80/1124483180.db2.gz SKPFORGXKYGIAD-APWZRJJASA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511213 1124483183 /nfs/dbraw/zinc/48/31/83/1124483183.db2.gz SKPFORGXKYGIAD-APWZRJJASA-N 1 1 299.462 3.863 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001119818685 1131265069 /nfs/dbraw/zinc/26/50/69/1131265069.db2.gz YEASPHNICHSIBA-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO Cc1cc(C)c(COC(=O)[C@]2(C#N)CC23CCCC3)c(C)[nH+]1 ZINC000869529992 1124517589 /nfs/dbraw/zinc/51/75/89/1124517589.db2.gz HBRKDUBGERWKJN-GOSISDBHSA-N 1 1 298.386 3.524 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000022761309 1124521583 /nfs/dbraw/zinc/52/15/83/1124521583.db2.gz BPWITEIRYGZXMF-SFHVURJKSA-N 1 1 262.356 3.678 20 30 CHEDMO CC[N@@H+](CCC#N)CCCc1c(F)cccc1Cl ZINC000447798177 1124524002 /nfs/dbraw/zinc/52/40/02/1124524002.db2.gz SGYLQJPDXMRNPC-UHFFFAOYSA-N 1 1 268.763 3.647 20 30 CHEDMO CC[N@H+](CCC#N)CCCc1c(F)cccc1Cl ZINC000447798177 1124524006 /nfs/dbraw/zinc/52/40/06/1124524006.db2.gz SGYLQJPDXMRNPC-UHFFFAOYSA-N 1 1 268.763 3.647 20 30 CHEDMO CCCC[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000448196474 1124570082 /nfs/dbraw/zinc/57/00/82/1124570082.db2.gz KTYITIQMKSUZKH-UHFFFAOYSA-N 1 1 285.309 3.669 20 30 CHEDMO COc1cccc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)c1 ZINC000448448867 1124581949 /nfs/dbraw/zinc/58/19/49/1124581949.db2.gz TUUSARBTEQUPPK-UHFFFAOYSA-N 1 1 299.801 3.832 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000449389834 1124719749 /nfs/dbraw/zinc/71/97/49/1124719749.db2.gz UHDJRXTWELHLFK-LBTNJELSSA-N 1 1 280.371 3.918 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000449391662 1124722316 /nfs/dbraw/zinc/72/23/16/1124722316.db2.gz YWIJOKSPWOIFLY-VCBZYWHSSA-N 1 1 293.414 3.663 20 30 CHEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449434557 1124737132 /nfs/dbraw/zinc/73/71/32/1124737132.db2.gz RPJQDWVYFUVKQA-GOSISDBHSA-N 1 1 296.418 3.607 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000528796189 1124809867 /nfs/dbraw/zinc/80/98/67/1124809867.db2.gz KSHZKESOSSTCOA-YPMHNXCESA-N 1 1 294.320 3.756 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000528796189 1124809872 /nfs/dbraw/zinc/80/98/72/1124809872.db2.gz KSHZKESOSSTCOA-YPMHNXCESA-N 1 1 294.320 3.756 20 30 CHEDMO C[N@H+]1CCc2c(F)cc(/C=C/c3ccc(C#N)cc3)cc2C1 ZINC001239309360 1131313954 /nfs/dbraw/zinc/31/39/54/1131313954.db2.gz CXPFIBFJAGSEJV-QPJJXVBHSA-N 1 1 292.357 3.856 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000876663608 1124967899 /nfs/dbraw/zinc/96/78/99/1124967899.db2.gz ZGJJFTJKIXECPA-KBAYOESNSA-N 1 1 286.419 3.514 20 30 CHEDMO CCC(=O)CCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000450313100 1124978351 /nfs/dbraw/zinc/97/83/51/1124978351.db2.gz OZBMFZYEFZQUGM-UHFFFAOYSA-N 1 1 286.419 3.776 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876808646 1124978732 /nfs/dbraw/zinc/97/87/32/1124978732.db2.gz UIDGIVIWXXNADM-SJORKVTESA-N 1 1 289.419 3.751 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000877462356 1125029345 /nfs/dbraw/zinc/02/93/45/1125029345.db2.gz OCPJESRXKZQSTD-UHFFFAOYSA-N 1 1 289.810 3.763 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000877462356 1125029352 /nfs/dbraw/zinc/02/93/52/1125029352.db2.gz OCPJESRXKZQSTD-UHFFFAOYSA-N 1 1 289.810 3.763 20 30 CHEDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](C)CCC#N ZINC000877503167 1125036050 /nfs/dbraw/zinc/03/60/50/1125036050.db2.gz DDWAXTGASDNUTB-OAHLLOKOSA-N 1 1 274.408 3.934 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc3c(F)cccc3c2)CCCC1 ZINC000877609095 1125051329 /nfs/dbraw/zinc/05/13/29/1125051329.db2.gz GDJINKHITBRWBJ-UHFFFAOYSA-N 1 1 283.350 3.547 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000877638678 1125058437 /nfs/dbraw/zinc/05/84/37/1125058437.db2.gz LFPLGFVSJWOQTF-AWEZNQCLSA-N 1 1 289.810 3.619 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000877658297 1125058839 /nfs/dbraw/zinc/05/88/39/1125058839.db2.gz WHUHEHKTENWMPY-LAVFITLUSA-N 1 1 268.404 3.662 20 30 CHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC2(C#N)CCC2)c1 ZINC000450708221 1125093065 /nfs/dbraw/zinc/09/30/65/1125093065.db2.gz CDLLKEANPRIVFW-WMLDXEAASA-N 1 1 284.403 3.772 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1C(C)C)c1ccccc1 ZINC000877996392 1125111046 /nfs/dbraw/zinc/11/10/46/1125111046.db2.gz RMWLVERFVIEVDP-OALUTQOASA-N 1 1 298.430 3.547 20 30 CHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000878132601 1125122440 /nfs/dbraw/zinc/12/24/40/1125122440.db2.gz ADJUVMIIWXXDTI-KRWDZBQOSA-N 1 1 283.419 3.583 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](C)[C@H]1C)c1ccccc1 ZINC000878129519 1125122660 /nfs/dbraw/zinc/12/26/60/1125122660.db2.gz KJUDRQHIKMUKLO-FRQCXROJSA-N 1 1 298.430 3.547 20 30 CHEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159769 1125125808 /nfs/dbraw/zinc/12/58/08/1125125808.db2.gz UIOOQEWDQIXRKF-MSOLQXFVSA-N 1 1 284.403 3.532 20 30 CHEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159769 1125125811 /nfs/dbraw/zinc/12/58/11/1125125811.db2.gz UIOOQEWDQIXRKF-MSOLQXFVSA-N 1 1 284.403 3.532 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878189069 1125129427 /nfs/dbraw/zinc/12/94/27/1125129427.db2.gz QSYZHMDJKDWSSY-HYVNUMGLSA-N 1 1 272.392 3.531 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878189069 1125129429 /nfs/dbraw/zinc/12/94/29/1125129429.db2.gz QSYZHMDJKDWSSY-HYVNUMGLSA-N 1 1 272.392 3.531 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878405292 1125150120 /nfs/dbraw/zinc/15/01/20/1125150120.db2.gz DRBRXBUVEWKABE-RCCFBDPRSA-N 1 1 284.403 3.532 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878405292 1125150123 /nfs/dbraw/zinc/15/01/23/1125150123.db2.gz DRBRXBUVEWKABE-RCCFBDPRSA-N 1 1 284.403 3.532 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H](C)C1)c1ccccc1 ZINC000878452457 1125154750 /nfs/dbraw/zinc/15/47/50/1125154750.db2.gz UWCLLQUUIXOKRO-APWZRJJASA-N 1 1 298.430 3.549 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000878612372 1125165595 /nfs/dbraw/zinc/16/55/95/1125165595.db2.gz KUOHYSBYUUEIFW-ZBFHGGJFSA-N 1 1 254.377 3.763 20 30 CHEDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000530714327 1125173723 /nfs/dbraw/zinc/17/37/23/1125173723.db2.gz DVQVFHVYUJGCEL-OALUTQOASA-N 1 1 299.462 3.548 20 30 CHEDMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 ZINC000530714365 1125174028 /nfs/dbraw/zinc/17/40/28/1125174028.db2.gz QBSBZRNIABRXTP-RTBURBONSA-N 1 1 299.462 3.548 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122159122 1125176185 /nfs/dbraw/zinc/17/61/85/1125176185.db2.gz FZDXJGHOQUHMQW-GFCCVEGCSA-N 1 1 252.427 3.973 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000530756793 1125178839 /nfs/dbraw/zinc/17/88/39/1125178839.db2.gz DAGODUYYOAVOFD-QGZVFWFLSA-N 1 1 280.346 3.514 20 30 CHEDMO CC[C@@H](C)[N@@H+](CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878884891 1125183524 /nfs/dbraw/zinc/18/35/24/1125183524.db2.gz OIBMWXBNAZQZIA-CRAIPNDOSA-N 1 1 286.419 3.547 20 30 CHEDMO CC(C)(C)SCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000878886596 1125183774 /nfs/dbraw/zinc/18/37/74/1125183774.db2.gz MSZQZRHPBOMMAY-ZDUSSCGKSA-N 1 1 254.443 3.534 20 30 CHEDMO C#CC[N@H+](Cc1cccnc1C)[C@@H]1CCc2ccccc21 ZINC000127535546 1125198644 /nfs/dbraw/zinc/19/86/44/1125198644.db2.gz TXLHAKIVGMXEOX-LJQANCHMSA-N 1 1 276.383 3.513 20 30 CHEDMO CC1(C)Cc2cc(C[N@H+](CCC#N)CC3CC3)ccc2O1 ZINC000122728844 1125203774 /nfs/dbraw/zinc/20/37/74/1125203774.db2.gz VHRLTDZNXVCKJJ-UHFFFAOYSA-N 1 1 284.403 3.526 20 30 CHEDMO CC1(C)Cc2cc(C[N@@H+](CCC#N)CC3CC3)ccc2O1 ZINC000122728844 1125203779 /nfs/dbraw/zinc/20/37/79/1125203779.db2.gz VHRLTDZNXVCKJJ-UHFFFAOYSA-N 1 1 284.403 3.526 20 30 CHEDMO C[N@@H+](CCCCOC(C)(C)C)CCc1cccc(C#N)c1 ZINC000879433263 1125213674 /nfs/dbraw/zinc/21/36/74/1125213674.db2.gz RKSZCFAZKCWCAI-UHFFFAOYSA-N 1 1 288.435 3.628 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879480538 1125216741 /nfs/dbraw/zinc/21/67/41/1125216741.db2.gz WYKYEUYDVZDELV-GOEBONIOSA-N 1 1 260.356 3.639 20 30 CHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)[nH]n1 ZINC000879918394 1125239559 /nfs/dbraw/zinc/23/95/59/1125239559.db2.gz CRFAEVVZNZSCRC-AWEZNQCLSA-N 1 1 288.439 3.652 20 30 CHEDMO CC(C)c1cc([C@H]2CCC[N@H+](CCC(C)(C)C#N)C2)n[nH]1 ZINC000879918394 1125239563 /nfs/dbraw/zinc/23/95/63/1125239563.db2.gz CRFAEVVZNZSCRC-AWEZNQCLSA-N 1 1 288.439 3.652 20 30 CHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)n[nH]1 ZINC000879918394 1125239568 /nfs/dbraw/zinc/23/95/68/1125239568.db2.gz CRFAEVVZNZSCRC-AWEZNQCLSA-N 1 1 288.439 3.652 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880232909 1125258817 /nfs/dbraw/zinc/25/88/17/1125258817.db2.gz GSDRLISYNJFZAK-AWEZNQCLSA-N 1 1 274.383 3.669 20 30 CHEDMO C[C@H](c1ccccc1)[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000880248703 1125260099 /nfs/dbraw/zinc/26/00/99/1125260099.db2.gz XNVGYAVIEFQROT-QGZVFWFLSA-N 1 1 299.462 3.695 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000880389968 1125270972 /nfs/dbraw/zinc/27/09/72/1125270972.db2.gz LYZAANCNFCGUQK-INIZCTEOSA-N 1 1 296.418 3.869 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000880574846 1125280538 /nfs/dbraw/zinc/28/05/38/1125280538.db2.gz PCSJMHLDGCDDLC-IBGZPJMESA-N 1 1 298.430 3.587 20 30 CHEDMO C#CCC[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000805772369 1131344740 /nfs/dbraw/zinc/34/47/40/1131344740.db2.gz IOQWMMFCRLLTIV-LBPRGKRZSA-N 1 1 269.310 3.592 20 30 CHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191210708 1125345967 /nfs/dbraw/zinc/34/59/67/1125345967.db2.gz GKZXBISGIBMUKL-CYBMUJFWSA-N 1 1 293.370 3.836 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)c1 ZINC000191230620 1125347275 /nfs/dbraw/zinc/34/72/75/1125347275.db2.gz KZRMYHVLIWJHNI-GOSISDBHSA-N 1 1 279.387 3.542 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1C#N ZINC000191230201 1125347387 /nfs/dbraw/zinc/34/73/87/1125347387.db2.gz DPNODVDQHKLAHS-KRWDZBQOSA-N 1 1 299.805 3.887 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000129788668 1125349595 /nfs/dbraw/zinc/34/95/95/1125349595.db2.gz RLKFMYGRVNBJJR-MRVPVSSYSA-N 1 1 292.579 3.991 20 30 CHEDMO N#CCC[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CCCC1 ZINC001137185960 1125378987 /nfs/dbraw/zinc/37/89/87/1125378987.db2.gz DREWJQMSFUTWSK-UHFFFAOYSA-N 1 1 295.386 3.599 20 30 CHEDMO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352836703 1125399774 /nfs/dbraw/zinc/39/97/74/1125399774.db2.gz WTTXDEDFEWRLFN-AWEZNQCLSA-N 1 1 271.389 3.646 20 30 CHEDMO CC(C)(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352839463 1125399872 /nfs/dbraw/zinc/39/98/72/1125399872.db2.gz KJLHEPFUTSTWDH-OAHLLOKOSA-N 1 1 285.416 3.892 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cn1cc(C)cnc1=S ZINC000131617562 1125401221 /nfs/dbraw/zinc/40/12/21/1125401221.db2.gz WFYDZQOUSDUTHC-UHFFFAOYSA-N 1 1 299.443 3.609 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cn1cc(C)cnc1=S ZINC000131617562 1125401222 /nfs/dbraw/zinc/40/12/22/1125401222.db2.gz WFYDZQOUSDUTHC-UHFFFAOYSA-N 1 1 299.443 3.609 20 30 CHEDMO CCc1ccc(NCc2ccc(C3(C#N)CC3)cc2)[nH+]c1 ZINC000883383612 1125407641 /nfs/dbraw/zinc/40/76/41/1125407641.db2.gz BZLHQULMXXDPBO-UHFFFAOYSA-N 1 1 277.371 3.811 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000532586923 1125416100 /nfs/dbraw/zinc/41/61/00/1125416100.db2.gz ZRTIBNUSLLRTPJ-OAHLLOKOSA-N 1 1 280.456 3.502 20 30 CHEDMO C[N@@H+](C[C@H](C#N)CCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000028922735 1125416233 /nfs/dbraw/zinc/41/62/33/1125416233.db2.gz DNRVYEFLVQZCLJ-NUVRTYOOSA-N 1 1 285.435 3.578 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000132401382 1125417617 /nfs/dbraw/zinc/41/76/17/1125417617.db2.gz QABQVMXGKFMICE-UHFFFAOYSA-N 1 1 258.409 3.685 20 30 CHEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000532623820 1125428757 /nfs/dbraw/zinc/42/87/57/1125428757.db2.gz AVYZXJWBZAWJRY-CQSZACIVSA-N 1 1 258.409 3.966 20 30 CHEDMO N#CC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000123669878 1125431833 /nfs/dbraw/zinc/43/18/33/1125431833.db2.gz HSWHEYANTGEPFL-UHFFFAOYSA-N 1 1 295.361 3.623 20 30 CHEDMO Cc1cccc2c1C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000429557897 1125433406 /nfs/dbraw/zinc/43/34/06/1125433406.db2.gz CWKGIUVSSPTICK-OAHLLOKOSA-N 1 1 276.383 3.986 20 30 CHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087771000 1129192651 /nfs/dbraw/zinc/19/26/51/1129192651.db2.gz IJXMWAUMFIDJMP-AEFFLSMTSA-N 1 1 284.403 3.592 20 30 CHEDMO C=CCC[N@H+](Cc1occc1OC)Cc1ccccc1 ZINC001237872637 1129207079 /nfs/dbraw/zinc/20/70/79/1129207079.db2.gz XIKDDKPNZMLZJG-UHFFFAOYSA-N 1 1 271.360 3.867 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245540204 1129211154 /nfs/dbraw/zinc/21/11/54/1129211154.db2.gz MBTLAGZTATYUIK-HUUCEWRRSA-N 1 1 272.392 3.599 20 30 CHEDMO C=CC[N@@H+](CCc1c(C)noc1C)CCc1ccccc1 ZINC000165045058 1129211668 /nfs/dbraw/zinc/21/16/68/1129211668.db2.gz SJYGYAVXPFJEDO-UHFFFAOYSA-N 1 1 284.403 3.565 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000245560740 1129211963 /nfs/dbraw/zinc/21/19/63/1129211963.db2.gz NESXMCKYSHCGSQ-KFWWJZLASA-N 1 1 272.392 3.598 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000347971722 1129272893 /nfs/dbraw/zinc/27/28/93/1129272893.db2.gz XYQQHYISMPBKLO-GFCCVEGCSA-N 1 1 269.335 3.550 20 30 CHEDMO C=CCCCOC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000735536568 1129350987 /nfs/dbraw/zinc/35/09/87/1129350987.db2.gz QTZLFNLVUWURAZ-MRXNPFEDSA-N 1 1 275.392 3.579 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1F ZINC000735670828 1129356488 /nfs/dbraw/zinc/35/64/88/1129356488.db2.gz WIYWTJVGLMTPRY-AWEZNQCLSA-N 1 1 282.362 3.933 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247492786 1129372987 /nfs/dbraw/zinc/37/29/87/1129372987.db2.gz ULNMDHRNBSKHBS-HZPDHXFCSA-N 1 1 282.472 3.536 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092586286 1129398529 /nfs/dbraw/zinc/39/85/29/1129398529.db2.gz FMFMPWBQVRSPDP-MRXNPFEDSA-N 1 1 285.435 3.658 20 30 CHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1O ZINC000092705060 1129405065 /nfs/dbraw/zinc/40/50/65/1129405065.db2.gz HLBLAPSRCWHMTD-UHFFFAOYSA-N 1 1 286.400 3.738 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000739901337 1129408875 /nfs/dbraw/zinc/40/88/75/1129408875.db2.gz AIASMCDZMVHRIJ-UHFFFAOYSA-N 1 1 258.409 3.685 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1 ZINC000248373317 1129415035 /nfs/dbraw/zinc/41/50/35/1129415035.db2.gz HYCQNNPASQMFRF-OSGQAZFXSA-N 1 1 298.430 3.988 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000766257308 1129423153 /nfs/dbraw/zinc/42/31/53/1129423153.db2.gz QGZBLHHQMKPDJD-HNNXBMFYSA-N 1 1 290.455 3.832 20 30 CHEDMO CCCCCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766257308 1129423157 /nfs/dbraw/zinc/42/31/57/1129423157.db2.gz QGZBLHHQMKPDJD-HNNXBMFYSA-N 1 1 290.455 3.832 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000766257308 1129423161 /nfs/dbraw/zinc/42/31/61/1129423161.db2.gz QGZBLHHQMKPDJD-HNNXBMFYSA-N 1 1 290.455 3.832 20 30 CHEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC(C)(C)CCC#N ZINC000093641312 1129427303 /nfs/dbraw/zinc/42/73/03/1129427303.db2.gz MOFUQGJZYVIKGR-KRWDZBQOSA-N 1 1 288.435 3.680 20 30 CHEDMO C=CCCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741355309 1129433742 /nfs/dbraw/zinc/43/37/42/1129433742.db2.gz VSKBSWOZCWOZEJ-QGZVFWFLSA-N 1 1 287.403 3.551 20 30 CHEDMO C=CCCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741355309 1129433744 /nfs/dbraw/zinc/43/37/44/1129433744.db2.gz VSKBSWOZCWOZEJ-QGZVFWFLSA-N 1 1 287.403 3.551 20 30 CHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000249435203 1129448266 /nfs/dbraw/zinc/44/82/66/1129448266.db2.gz KPHVLYRVXDRMGO-CKEIUWERSA-N 1 1 272.392 3.598 20 30 CHEDMO CCN(C)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000741754236 1129450992 /nfs/dbraw/zinc/45/09/92/1129450992.db2.gz MAWBEZZFEHDKKF-UHFFFAOYSA-N 1 1 287.451 3.904 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1c(C)cccc1F ZINC000742381452 1129473192 /nfs/dbraw/zinc/47/31/92/1129473192.db2.gz UTBXJIHLDZECOW-UHFFFAOYSA-N 1 1 285.362 3.989 20 30 CHEDMO CC(C)Oc1ccccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381009 1129473221 /nfs/dbraw/zinc/47/32/21/1129473221.db2.gz MVAKLVQKLKXADZ-UHFFFAOYSA-N 1 1 298.361 3.774 20 30 CHEDMO C=CCOCC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000645081311 1129486905 /nfs/dbraw/zinc/48/69/05/1129486905.db2.gz ZFXQFMJBFVISGN-HNNXBMFYSA-N 1 1 265.397 3.954 20 30 CHEDMO C#CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796281031 1129510876 /nfs/dbraw/zinc/51/08/76/1129510876.db2.gz HUPHHAIXMNSZQO-KURKYZTESA-N 1 1 253.389 3.668 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C[C@H](CCC)CC1=O ZINC000743364389 1129521220 /nfs/dbraw/zinc/52/12/20/1129521220.db2.gz NTFGZGLUAAYUPD-QGZVFWFLSA-N 1 1 292.467 3.661 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096669 1129522471 /nfs/dbraw/zinc/52/24/71/1129522471.db2.gz RKVDLZXBGNUCPW-LSDHHAIUSA-N 1 1 251.414 3.622 20 30 CHEDMO CC#CCC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000646130500 1129525675 /nfs/dbraw/zinc/52/56/75/1129525675.db2.gz VYTJJKNSBZMWDL-AWEZNQCLSA-N 1 1 276.449 3.516 20 30 CHEDMO C=CC[N@H+](CCOc1ccc(SC)cc1)C(C)C ZINC000743841381 1129537677 /nfs/dbraw/zinc/53/76/77/1129537677.db2.gz KHWALUBZPJRFFK-UHFFFAOYSA-N 1 1 265.422 3.684 20 30 CHEDMO C=C(Br)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000743854334 1129540307 /nfs/dbraw/zinc/54/03/07/1129540307.db2.gz UHFDEICOENITMP-WOPDTQHZSA-N 1 1 258.203 3.548 20 30 CHEDMO C#CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)C1CCCCC1 ZINC000743843383 1129540587 /nfs/dbraw/zinc/54/05/87/1129540587.db2.gz YTIWNXRSEXMOFF-QGZVFWFLSA-N 1 1 291.822 3.641 20 30 CHEDMO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000743855917 1129540822 /nfs/dbraw/zinc/54/08/22/1129540822.db2.gz BPTXIOXGIBDFQK-YGRLFVJLSA-N 1 1 253.748 3.961 20 30 CHEDMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000743855917 1129540824 /nfs/dbraw/zinc/54/08/24/1129540824.db2.gz BPTXIOXGIBDFQK-YGRLFVJLSA-N 1 1 253.748 3.961 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796328191 1129541735 /nfs/dbraw/zinc/54/17/35/1129541735.db2.gz DLKRWWDHXYUVCW-KBPBESRZSA-N 1 1 295.389 3.840 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796364686 1129549713 /nfs/dbraw/zinc/54/97/13/1129549713.db2.gz SWGWBUIRBRNLDL-IBGZPJMESA-N 1 1 281.399 3.798 20 30 CHEDMO C[C@@H]([N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)(C)C ZINC000744129142 1129554124 /nfs/dbraw/zinc/55/41/24/1129554124.db2.gz BTPVAOHIYXKUBJ-CQSZACIVSA-N 1 1 296.418 3.746 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000796376736 1129575927 /nfs/dbraw/zinc/57/59/27/1129575927.db2.gz JWQBJPQMILWKFC-ROUUACIJSA-N 1 1 296.499 3.532 20 30 CHEDMO C#CC[N@@H+](Cc1cccc(C)n1)[C@H]1CCc2ccccc21 ZINC000745983075 1129621447 /nfs/dbraw/zinc/62/14/47/1129621447.db2.gz DJWMDJCWBAKUOV-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO C#CC[N@H+](Cc1cccc(C)n1)[C@H]1CCc2ccccc21 ZINC000745983075 1129621450 /nfs/dbraw/zinc/62/14/50/1129621450.db2.gz DJWMDJCWBAKUOV-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000828468644 1131386750 /nfs/dbraw/zinc/38/67/50/1131386750.db2.gz TUVCODRTTWWKBE-GJZGRUSLSA-N 1 1 296.455 3.578 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2ncccc12 ZINC001137628078 1131387414 /nfs/dbraw/zinc/38/74/14/1131387414.db2.gz MPHSZXCYJHZJFU-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CCC[C@@H](C)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001258736600 1129682001 /nfs/dbraw/zinc/68/20/01/1129682001.db2.gz XHAMCABBWDNFNE-OAHLLOKOSA-N 1 1 264.457 3.680 20 30 CHEDMO CC(C)c1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000822650045 1131392307 /nfs/dbraw/zinc/39/23/07/1131392307.db2.gz NDYIBYQARREFBP-CQSZACIVSA-N 1 1 284.363 3.554 20 30 CHEDMO C=CCOc1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC000796442110 1129723907 /nfs/dbraw/zinc/72/39/07/1129723907.db2.gz LYWLKSHXGVWVEH-UHFFFAOYSA-N 1 1 288.778 3.590 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001169395302 1129725192 /nfs/dbraw/zinc/72/51/92/1129725192.db2.gz GLFZNJBUHYKMHI-UHFFFAOYSA-N 1 1 260.425 3.973 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC001169481170 1129728798 /nfs/dbraw/zinc/72/87/98/1129728798.db2.gz BTTPWINKNKGOAV-AEFFLSMTSA-N 1 1 275.436 3.829 20 30 CHEDMO CCC#C[C@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001169715087 1129750492 /nfs/dbraw/zinc/75/04/92/1129750492.db2.gz GSQQWNJLGPDAEK-RDJZCZTQSA-N 1 1 259.368 3.667 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001169715087 1129750495 /nfs/dbraw/zinc/75/04/95/1129750495.db2.gz GSQQWNJLGPDAEK-RDJZCZTQSA-N 1 1 259.368 3.667 20 30 CHEDMO Cc1ccc(F)c(C[N@@H+](C)CC2CCC(C#N)CC2)c1 ZINC001169821593 1129759570 /nfs/dbraw/zinc/75/95/70/1129759570.db2.gz MMEKCRPFYGSXJM-UHFFFAOYSA-N 1 1 274.383 3.896 20 30 CHEDMO C#CCCC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000766895699 1129768766 /nfs/dbraw/zinc/76/87/66/1129768766.db2.gz QLPCUVJZLLOJKT-UHFFFAOYSA-N 1 1 255.283 3.551 20 30 CHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000766924920 1129769743 /nfs/dbraw/zinc/76/97/43/1129769743.db2.gz UOZUOXQSXMIQEH-MRXNPFEDSA-N 1 1 263.331 3.905 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000767114684 1129777361 /nfs/dbraw/zinc/77/73/61/1129777361.db2.gz DUDJMVVQYLLUJU-HNNXBMFYSA-N 1 1 263.429 3.570 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000767921297 1129820033 /nfs/dbraw/zinc/82/00/33/1129820033.db2.gz XKWRMDRMJAIWBL-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C(C)(C)OC ZINC001139029530 1129838024 /nfs/dbraw/zinc/83/80/24/1129838024.db2.gz CEQKEKZRQPDOPZ-QGZVFWFLSA-N 1 1 289.419 3.641 20 30 CHEDMO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768250588 1129847323 /nfs/dbraw/zinc/84/73/23/1129847323.db2.gz WBDJHBMBNLLZPT-OAHLLOKOSA-N 1 1 298.386 3.981 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768262310 1129848239 /nfs/dbraw/zinc/84/82/39/1129848239.db2.gz IOUPKKHUPBIJRT-LBPRGKRZSA-N 1 1 281.384 3.684 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000384200931 1129856146 /nfs/dbraw/zinc/85/61/46/1129856146.db2.gz LOZIMYRBYVRDMS-MRXNPFEDSA-N 1 1 288.391 3.841 20 30 CHEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCC2)cnn1-c1ccccc1 ZINC000828815675 1131402247 /nfs/dbraw/zinc/40/22/47/1131402247.db2.gz BDNMIMTVZLFOCO-AWEZNQCLSA-N 1 1 294.402 3.525 20 30 CHEDMO CCCCCCC[C@@H](C)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000768517026 1129862615 /nfs/dbraw/zinc/86/26/15/1129862615.db2.gz GZIPDOVOIBOMQB-HIFRSBDPSA-N 1 1 263.429 3.606 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC(F)F)C(C)C ZINC000768548268 1129863852 /nfs/dbraw/zinc/86/38/52/1129863852.db2.gz ZNQFWZMTZPVXRZ-UHFFFAOYSA-N 1 1 285.334 3.693 20 30 CHEDMO C[N@@H+](CCc1ccccc1F)CC(C)(C)CCC#N ZINC000769020858 1129885974 /nfs/dbraw/zinc/88/59/74/1129885974.db2.gz HKKQMPVRQDLGMP-UHFFFAOYSA-N 1 1 262.372 3.630 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170997049 1131405408 /nfs/dbraw/zinc/40/54/08/1131405408.db2.gz QHMSMYGGBFTILC-QGZVFWFLSA-N 1 1 294.373 3.687 20 30 CHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769506205 1129914666 /nfs/dbraw/zinc/91/46/66/1129914666.db2.gz DBXWMNBILZKWNF-GOSISDBHSA-N 1 1 295.357 3.785 20 30 CHEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769506205 1129914668 /nfs/dbraw/zinc/91/46/68/1129914668.db2.gz DBXWMNBILZKWNF-GOSISDBHSA-N 1 1 295.357 3.785 20 30 CHEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769519133 1129915362 /nfs/dbraw/zinc/91/53/62/1129915362.db2.gz KZDIERWONQMSPL-PBHICJAKSA-N 1 1 272.392 3.599 20 30 CHEDMO C#CC[N@H+](Cc1cc(CC=C)c(O)c(OC)c1)C1CCCC1 ZINC000769531574 1129915713 /nfs/dbraw/zinc/91/57/13/1129915713.db2.gz UQAZTMNYMNZVLB-UHFFFAOYSA-N 1 1 299.414 3.507 20 30 CHEDMO C#CC[N@H+](Cc1cnc(C(C)(C)C)s1)C1CCCC1 ZINC000769531608 1129915867 /nfs/dbraw/zinc/91/58/67/1129915867.db2.gz UYXPIGNDHQIWLX-UHFFFAOYSA-N 1 1 276.449 3.818 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000769544299 1129917034 /nfs/dbraw/zinc/91/70/34/1129917034.db2.gz IOUPHSXOLSXFGQ-MRXNPFEDSA-N 1 1 297.446 3.801 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000769544299 1129917035 /nfs/dbraw/zinc/91/70/35/1129917035.db2.gz IOUPHSXOLSXFGQ-MRXNPFEDSA-N 1 1 297.446 3.801 20 30 CHEDMO C=CC[N@@H+]([C@H]1CCc2cccc(F)c2C1)C(C)(C)C ZINC001171004647 1131413075 /nfs/dbraw/zinc/41/30/75/1131413075.db2.gz IHTJHTMJWYXJRE-AWEZNQCLSA-N 1 1 261.384 3.970 20 30 CHEDMO C#CCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589461 1129930210 /nfs/dbraw/zinc/93/02/10/1129930210.db2.gz PPUUYQHXFNRBKW-AWEZNQCLSA-N 1 1 285.284 3.599 20 30 CHEDMO C#CCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589461 1129930212 /nfs/dbraw/zinc/93/02/12/1129930212.db2.gz PPUUYQHXFNRBKW-AWEZNQCLSA-N 1 1 285.284 3.599 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000769963002 1129932906 /nfs/dbraw/zinc/93/29/06/1129932906.db2.gz OEMNPMBQGMHIRA-OAHLLOKOSA-N 1 1 274.367 3.679 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000770018483 1129936124 /nfs/dbraw/zinc/93/61/24/1129936124.db2.gz LVRDSGUPHJEQJS-HNNXBMFYSA-N 1 1 263.429 3.570 20 30 CHEDMO Cc1cc2[nH]ccc2c(-c2ccc(F)cc2C#N)[nH+]1 ZINC001242581087 1129943962 /nfs/dbraw/zinc/94/39/62/1129943962.db2.gz JCEINVWRXAINDU-UHFFFAOYSA-N 1 1 251.264 3.549 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000770349962 1129945546 /nfs/dbraw/zinc/94/55/46/1129945546.db2.gz OQHRVYGYCFDZPY-HZPDHXFCSA-N 1 1 268.385 3.608 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC001137758253 1131413210 /nfs/dbraw/zinc/41/32/10/1131413210.db2.gz OEDOADSKZOZIRR-UHFFFAOYSA-N 1 1 294.402 3.531 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000801917830 1129958323 /nfs/dbraw/zinc/95/83/23/1129958323.db2.gz RNDLLFYJXKGYTR-STQMWFEESA-N 1 1 292.810 3.794 20 30 CHEDMO Cc1[nH+]c(N[C@@H](C)c2cccc(C#N)c2)ccc1CC#N ZINC001156875915 1129959354 /nfs/dbraw/zinc/95/93/54/1129959354.db2.gz CMLPEROPDDLNBU-ZDUSSCGKSA-N 1 1 276.343 3.501 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000801926071 1129959823 /nfs/dbraw/zinc/95/98/23/1129959823.db2.gz MRCNISOYYVFZLX-XBAQYMQTSA-N 1 1 298.430 3.873 20 30 CHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCO[C@H](C)C#N)o1 ZINC000801925424 1129959959 /nfs/dbraw/zinc/95/99/59/1129959959.db2.gz LXYCPECQFVZJEB-LZWOXQAQSA-N 1 1 290.407 3.544 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000801942348 1129962104 /nfs/dbraw/zinc/96/21/04/1129962104.db2.gz OUVMAUSELVNHOW-HOTGVXAUSA-N 1 1 288.435 3.852 20 30 CHEDMO C=CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)C1CC1 ZINC000771640525 1129986821 /nfs/dbraw/zinc/98/68/21/1129986821.db2.gz ODKVEBYOFGTDQC-UHFFFAOYSA-N 1 1 259.393 3.974 20 30 CHEDMO CCCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000746526067 1130003432 /nfs/dbraw/zinc/00/34/32/1130003432.db2.gz WYTRJEHKJRTGKP-INIZCTEOSA-N 1 1 282.472 3.585 20 30 CHEDMO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)(C)C ZINC000802641878 1130025150 /nfs/dbraw/zinc/02/51/50/1130025150.db2.gz JNDHKBOZYIZCFO-RHSMWYFYSA-N 1 1 286.419 3.614 20 30 CHEDMO C#CC[N@@H+](Cc1sccc1OC)[C@@H]1CCc2ccccc21 ZINC000772596892 1130032689 /nfs/dbraw/zinc/03/26/89/1130032689.db2.gz BRYYUDOFZOWFAG-MRXNPFEDSA-N 1 1 297.423 3.879 20 30 CHEDMO C#CC[N@H+](Cc1sccc1OC)[C@@H]1CCc2ccccc21 ZINC000772596892 1130032694 /nfs/dbraw/zinc/03/26/94/1130032694.db2.gz BRYYUDOFZOWFAG-MRXNPFEDSA-N 1 1 297.423 3.879 20 30 CHEDMO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902731213 1130046273 /nfs/dbraw/zinc/04/62/73/1130046273.db2.gz WLGBHIZUPCLALV-UONOGXRCSA-N 1 1 295.386 3.682 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1cc(C#N)ccn1 ZINC000902784192 1130056824 /nfs/dbraw/zinc/05/68/24/1130056824.db2.gz QAHFQNDOQYITTA-CZUORRHYSA-N 1 1 293.370 3.518 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000785996569 1130072597 /nfs/dbraw/zinc/07/25/97/1130072597.db2.gz FCABLSDNESUXIM-MRXNPFEDSA-N 1 1 297.398 3.950 20 30 CHEDMO C=CCC[N@@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000786102996 1130079008 /nfs/dbraw/zinc/07/90/08/1130079008.db2.gz ZEXAYGGVNIUWBX-UHFFFAOYSA-N 1 1 287.432 3.688 20 30 CHEDMO C=CCC[N@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000786102996 1130079011 /nfs/dbraw/zinc/07/90/11/1130079011.db2.gz ZEXAYGGVNIUWBX-UHFFFAOYSA-N 1 1 287.432 3.688 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)c1cccc(C#N)c1 ZINC000902951371 1130090077 /nfs/dbraw/zinc/09/00/77/1130090077.db2.gz OKSQHAWEWCPAGI-HZMBPMFUSA-N 1 1 286.404 3.520 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1cc(C#N)ccn1 ZINC000903003216 1130098962 /nfs/dbraw/zinc/09/89/62/1130098962.db2.gz PTEAKHMIRFNWCF-GFCCVEGCSA-N 1 1 295.361 3.821 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1cccc(C#N)c1 ZINC000903010955 1130100406 /nfs/dbraw/zinc/10/04/06/1130100406.db2.gz UMBBGXLDFFGNJK-CZUORRHYSA-N 1 1 282.391 3.577 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CCC1 ZINC000903030728 1130102118 /nfs/dbraw/zinc/10/21/18/1130102118.db2.gz FDMSCFYIUNBWAM-OAHLLOKOSA-N 1 1 282.387 3.716 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000903031793 1130102237 /nfs/dbraw/zinc/10/22/37/1130102237.db2.gz FOARNVIYLIUDFQ-VIFPVBQESA-N 1 1 298.217 3.920 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000903101792 1130112058 /nfs/dbraw/zinc/11/20/58/1130112058.db2.gz MJDPIHZRGHQJDQ-LBPRGKRZSA-N 1 1 278.808 3.770 20 30 CHEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)sc1Br ZINC000903106265 1130113222 /nfs/dbraw/zinc/11/32/22/1130113222.db2.gz NQPLENOKYLPQON-SECBINFHSA-N 1 1 299.237 3.773 20 30 CHEDMO CCc1nc2c(s1)[C@H]([NH2+]CC1(C#N)CCCC1)CCC2 ZINC000903108400 1130114766 /nfs/dbraw/zinc/11/47/66/1130114766.db2.gz BUHMXOLHHDDOFX-GFCCVEGCSA-N 1 1 289.448 3.756 20 30 CHEDMO N#CC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CCCCC1 ZINC000903201092 1130128827 /nfs/dbraw/zinc/12/88/27/1130128827.db2.gz VJEPVFDFMOHMSB-MRXNPFEDSA-N 1 1 269.392 3.596 20 30 CHEDMO C[C@H]1CC[C@H]([NH2+]Cc2nc(C#N)cs2)c2sccc21 ZINC000903264580 1130139169 /nfs/dbraw/zinc/13/91/69/1130139169.db2.gz UIBPWVLVXAVBOU-CABZTGNLSA-N 1 1 289.429 3.804 20 30 CHEDMO C[C@@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1O ZINC000788587520 1130196534 /nfs/dbraw/zinc/19/65/34/1130196534.db2.gz JFEOVBUKFTXHQS-SNVBAGLBSA-N 1 1 286.297 3.755 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H]1CC ZINC001462124065 1130199743 /nfs/dbraw/zinc/19/97/43/1130199743.db2.gz COLAVNIPNCBIRN-CZUORRHYSA-N 1 1 291.822 3.972 20 30 CHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCCCC(C)(C)C#N ZINC000803856493 1130202205 /nfs/dbraw/zinc/20/22/05/1130202205.db2.gz RMOKHXZGNKMYGE-OAHLLOKOSA-N 1 1 294.439 3.514 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000753575571 1130218969 /nfs/dbraw/zinc/21/89/69/1130218969.db2.gz LAXZTLVWLXCPAE-HUUCEWRRSA-N 1 1 286.419 3.845 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CC[C@H](C)OCc1ccccc1 ZINC000789325873 1130243589 /nfs/dbraw/zinc/24/35/89/1130243589.db2.gz JJLUTAVOBTWNJE-KRWDZBQOSA-N 1 1 288.435 3.853 20 30 CHEDMO C#CC[N@@H+](Cc1ccnc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000748806599 1130247968 /nfs/dbraw/zinc/24/79/68/1130247968.db2.gz KPXLCYJZKNKJIQ-QGZVFWFLSA-N 1 1 296.801 3.858 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000748806599 1130247971 /nfs/dbraw/zinc/24/79/71/1130247971.db2.gz KPXLCYJZKNKJIQ-QGZVFWFLSA-N 1 1 296.801 3.858 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000748831825 1130251229 /nfs/dbraw/zinc/25/12/29/1130251229.db2.gz CBPVEXAJONGJGF-GOSISDBHSA-N 1 1 296.345 3.675 20 30 CHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000748831825 1130251233 /nfs/dbraw/zinc/25/12/33/1130251233.db2.gz CBPVEXAJONGJGF-GOSISDBHSA-N 1 1 296.345 3.675 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H]2CCC[C@H](CC)C2)n1 ZINC000789759202 1130275136 /nfs/dbraw/zinc/27/51/36/1130275136.db2.gz PZWOVEUSJVJDCE-IRXDYDNUSA-N 1 1 287.451 3.555 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCCC(C)(C)C2)n1 ZINC000789762022 1130275497 /nfs/dbraw/zinc/27/54/97/1130275497.db2.gz QNWIIFJYMJVHIL-INIZCTEOSA-N 1 1 287.451 3.555 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnc3ccccc3c1)CC2 ZINC001137278382 1130281963 /nfs/dbraw/zinc/28/19/63/1130281963.db2.gz XEVOPNMVHXHPEH-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cnc3ccccc3c1)CC2 ZINC001137278382 1130281964 /nfs/dbraw/zinc/28/19/64/1130281964.db2.gz XEVOPNMVHXHPEH-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673382 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C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001170163939 1130440473 /nfs/dbraw/zinc/44/04/73/1130440473.db2.gz WOGIOHANCUFNAG-DNVCBOLYSA-N 1 1 291.398 3.926 20 30 CHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001170163941 1130441204 /nfs/dbraw/zinc/44/12/04/1130441204.db2.gz WOGIOHANCUFNAG-KXBFYZLASA-N 1 1 291.398 3.926 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000678624572 1130443195 /nfs/dbraw/zinc/44/31/95/1130443195.db2.gz DFPHLZXXIMOWFW-AWEZNQCLSA-N 1 1 270.376 3.973 20 30 CHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCC(C)(C)S)nc1 ZINC001170305279 1130478230 /nfs/dbraw/zinc/47/82/30/1130478230.db2.gz VMYSDVPONXJRMX-ZDUSSCGKSA-N 1 1 293.480 3.576 20 30 CHEDMO CCC[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375628 1130488930 /nfs/dbraw/zinc/48/89/30/1130488930.db2.gz BEJBIYXZMWDZBZ-UHFFFAOYSA-N 1 1 256.393 3.732 20 30 CHEDMO C#CC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792944811 1130508424 /nfs/dbraw/zinc/50/84/24/1130508424.db2.gz 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C=C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815588684 1131004669 /nfs/dbraw/zinc/00/46/69/1131004669.db2.gz VXEYCOWNYHNGEB-IUCAKERBSA-N 1 1 259.271 3.636 20 30 CHEDMO C=C[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815588683 1131004761 /nfs/dbraw/zinc/00/47/61/1131004761.db2.gz VXEYCOWNYHNGEB-DTWKUNHWSA-N 1 1 259.271 3.636 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2sc(Br)cc2C)C1 ZINC001236831997 1131019163 /nfs/dbraw/zinc/01/91/63/1131019163.db2.gz JBJIWPIPCNKQMP-LLVKDONJSA-N 1 1 298.249 3.664 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccccc3cc2Cl)C1 ZINC001236881983 1131026622 /nfs/dbraw/zinc/02/66/22/1131026622.db2.gz RBIBWTJYBHNRBL-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c1 ZINC001237049444 1131040926 /nfs/dbraw/zinc/04/09/26/1131040926.db2.gz PBDDGMBOHDJPEE-AWEZNQCLSA-N 1 1 272.392 3.641 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001237193397 1131067918 /nfs/dbraw/zinc/06/79/18/1131067918.db2.gz OELJLGIJKOOONY-AWEZNQCLSA-N 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CCCCCCCC[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144160729 1131593538 /nfs/dbraw/zinc/59/35/38/1131593538.db2.gz SWPBDQVMEZZFDJ-UHFFFAOYSA-N 1 1 259.397 3.746 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cnc(N)s1 ZINC001139228989 1131599217 /nfs/dbraw/zinc/59/92/17/1131599217.db2.gz SCZNGBISUIZWQJ-UHFFFAOYSA-N 1 1 255.431 3.518 20 30 CHEDMO C#CC[N@@H+](C)Cc1ccccc1Oc1ccc(F)cc1 ZINC001139299335 1131600471 /nfs/dbraw/zinc/60/04/71/1131600471.db2.gz SJCJBYFDNZLAPO-UHFFFAOYSA-N 1 1 269.319 3.683 20 30 CHEDMO C#CC[N@H+](C)Cc1ccccc1Oc1ccc(F)cc1 ZINC001139299335 1131600473 /nfs/dbraw/zinc/60/04/73/1131600473.db2.gz SJCJBYFDNZLAPO-UHFFFAOYSA-N 1 1 269.319 3.683 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(O)cn1 ZINC001144259710 1131606373 /nfs/dbraw/zinc/60/63/73/1131606373.db2.gz VODRHPSSMIXKDN-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(-c2cnccn2)cc1)C(C)(C)C ZINC001139395152 1131606738 /nfs/dbraw/zinc/60/67/38/1131606738.db2.gz RKIBUYQVFGWRNE-UHFFFAOYSA-N 1 1 281.403 3.930 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC001139466092 1131609537 /nfs/dbraw/zinc/60/95/37/1131609537.db2.gz CQDGOGDMNVQNOJ-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC)cc1OCc1ccccc1 ZINC001139560550 1131616284 /nfs/dbraw/zinc/61/62/84/1131616284.db2.gz OENWEAQOKUHZIH-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC001139597084 1131619343 /nfs/dbraw/zinc/61/93/43/1131619343.db2.gz LTFQINBHWHFSFA-UHFFFAOYSA-N 1 1 292.810 3.864 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(OC)c(C(C)C)c1 ZINC001139618460 1131622757 /nfs/dbraw/zinc/62/27/57/1131622757.db2.gz XZUDSTKQDYRXFE-UHFFFAOYSA-N 1 1 274.408 3.944 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(C(C)C)c1 ZINC001139618460 1131622758 /nfs/dbraw/zinc/62/27/58/1131622758.db2.gz XZUDSTKQDYRXFE-UHFFFAOYSA-N 1 1 274.408 3.944 20 30 CHEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1CC ZINC001139624165 1131624252 /nfs/dbraw/zinc/62/42/52/1131624252.db2.gz SKLMBGNFESNOOW-OAHLLOKOSA-N 1 1 286.419 3.773 20 30 CHEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC001139649472 1131627146 /nfs/dbraw/zinc/62/71/46/1131627146.db2.gz KAAVVZFOILKACC-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC001139649472 1131627147 /nfs/dbraw/zinc/62/71/47/1131627147.db2.gz KAAVVZFOILKACC-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO C[C@]1(F)CCC[N@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687426 1131628984 /nfs/dbraw/zinc/62/89/84/1131628984.db2.gz QXJUPYWXWVUIMV-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687426 1131628986 /nfs/dbraw/zinc/62/89/86/1131628986.db2.gz QXJUPYWXWVUIMV-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@H]1CCCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701596 1131629675 /nfs/dbraw/zinc/62/96/75/1131629675.db2.gz LOTADHUVOGHQQX-ZDUSSCGKSA-N 1 1 267.376 3.662 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@@H](C)C1 ZINC001139702953 1131629982 /nfs/dbraw/zinc/62/99/82/1131629982.db2.gz DOWJAKFZRJKHRZ-STQMWFEESA-N 1 1 267.376 3.660 20 30 CHEDMO C[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)CCC[C@@H]1C ZINC001139701149 1131629999 /nfs/dbraw/zinc/62/99/99/1131629999.db2.gz BRCXYKCNFNPUPG-KBPBESRZSA-N 1 1 281.403 3.908 20 30 CHEDMO N#Cc1cccc2c(C[N@@H+]3CCC[C@@H](C(F)F)C3)c[nH]c21 ZINC001139703386 1131630066 /nfs/dbraw/zinc/63/00/66/1131630066.db2.gz PMQKXBVAGDJWMW-GFCCVEGCSA-N 1 1 289.329 3.517 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1cccc(F)c1 ZINC001139701642 1131630348 /nfs/dbraw/zinc/63/03/48/1131630348.db2.gz NGAIMJSORVPKHJ-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1C#N ZINC001139727021 1131631880 /nfs/dbraw/zinc/63/18/80/1131631880.db2.gz FVXOSIBNSPLINV-UHFFFAOYSA-N 1 1 254.377 3.633 20 30 CHEDMO Cc1cccc2c1C[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139722682 1131632131 /nfs/dbraw/zinc/63/21/31/1131632131.db2.gz FGSZCWJQGPERDT-UHFFFAOYSA-N 1 1 262.356 3.691 20 30 CHEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139722682 1131632133 /nfs/dbraw/zinc/63/21/33/1131632133.db2.gz FGSZCWJQGPERDT-UHFFFAOYSA-N 1 1 262.356 3.691 20 30 CHEDMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1C#N ZINC001139724190 1131632300 /nfs/dbraw/zinc/63/23/00/1131632300.db2.gz MSBNRTPEUCCLRL-IBGZPJMESA-N 1 1 291.398 3.989 20 30 CHEDMO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001139825140 1131639326 /nfs/dbraw/zinc/63/93/26/1131639326.db2.gz YHLGUCGTJPPMNW-QGZVFWFLSA-N 1 1 297.427 3.854 20 30 CHEDMO Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001139825140 1131639331 /nfs/dbraw/zinc/63/93/31/1131639331.db2.gz YHLGUCGTJPPMNW-QGZVFWFLSA-N 1 1 297.427 3.854 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001139858566 1131642209 /nfs/dbraw/zinc/64/22/09/1131642209.db2.gz MWZRNDBNUMJOKG-CYBMUJFWSA-N 1 1 276.339 3.931 20 30 CHEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139875984 1131643154 /nfs/dbraw/zinc/64/31/54/1131643154.db2.gz KGGDJMGPLXLVOE-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)cc1 ZINC001139876431 1131645335 /nfs/dbraw/zinc/64/53/35/1131645335.db2.gz XJUGXKSOIJAEAN-UHFFFAOYSA-N 1 1 282.362 3.892 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2cnn(C)c2c1 ZINC001139907317 1131649951 /nfs/dbraw/zinc/64/99/51/1131649951.db2.gz FQDFVAGLRBZIHV-UHFFFAOYSA-N 1 1 291.398 3.762 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139937235 1131651533 /nfs/dbraw/zinc/65/15/33/1131651533.db2.gz MVAPXSPVGKPCNI-UHFFFAOYSA-N 1 1 294.830 3.965 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001144578744 1131660813 /nfs/dbraw/zinc/66/08/13/1131660813.db2.gz LXYMBSVIHVMAFC-QZTJIDSGSA-N 1 1 253.389 3.680 20 30 CHEDMO C#Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2F)cc1 ZINC001144578857 1131661268 /nfs/dbraw/zinc/66/12/68/1131661268.db2.gz RTZJPKRUXSHHNX-UHFFFAOYSA-N 1 1 271.310 3.578 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(F)c2F)cc1 ZINC001144578857 1131661271 /nfs/dbraw/zinc/66/12/71/1131661271.db2.gz RTZJPKRUXSHHNX-UHFFFAOYSA-N 1 1 271.310 3.578 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001144576936 1131662322 /nfs/dbraw/zinc/66/23/22/1131662322.db2.gz WQMHNVJKTQRHOC-SFHVURJKSA-N 1 1 279.358 3.797 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(O)cc1Cl)C(C)(C)C ZINC001140085833 1131662629 /nfs/dbraw/zinc/66/26/29/1131662629.db2.gz ARJDGOADUFEILR-UHFFFAOYSA-N 1 1 253.773 3.832 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@@H]1C ZINC001140110498 1131664639 /nfs/dbraw/zinc/66/46/39/1131664639.db2.gz MKDRUIORVMUGAD-KGLIPLIRSA-N 1 1 281.403 3.908 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115018 1131665506 /nfs/dbraw/zinc/66/55/06/1131665506.db2.gz JSNQTMUDWNOIBO-ZDUSSCGKSA-N 1 1 267.376 3.662 20 30 CHEDMO C[C@H]1CCCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110740 1131665790 /nfs/dbraw/zinc/66/57/90/1131665790.db2.gz RSRMSBALRFZKCN-ZDUSSCGKSA-N 1 1 267.376 3.662 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(O)cc1F)[C@@H]1CCc2ccccc21 ZINC001140128769 1131666570 /nfs/dbraw/zinc/66/65/70/1131666570.db2.gz CKFNZFGSFRHNTK-LJQANCHMSA-N 1 1 295.357 3.654 20 30 CHEDMO C#CC[N@H+](Cc1ccc(O)cc1F)[C@@H]1CCc2ccccc21 ZINC001140128769 1131666572 /nfs/dbraw/zinc/66/65/72/1131666572.db2.gz CKFNZFGSFRHNTK-LJQANCHMSA-N 1 1 295.357 3.654 20 30 CHEDMO Cc1cccc(C[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171202230 1131669001 /nfs/dbraw/zinc/66/90/01/1131669001.db2.gz ADKJROCGIISFPA-INIZCTEOSA-N 1 1 278.399 3.930 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CCCCC1 ZINC001171202541 1131670013 /nfs/dbraw/zinc/67/00/13/1131670013.db2.gz CVDVUSXOAYAPFF-CQSZACIVSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC001171202720 1131670887 /nfs/dbraw/zinc/67/08/87/1131670887.db2.gz DVWCHPBVUQBMAA-HUUCEWRRSA-N 1 1 256.393 3.611 20 30 CHEDMO Cc1cccc2c1C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171203655 1131673279 /nfs/dbraw/zinc/67/32/79/1131673279.db2.gz OITVQLIZSMOFMY-HNNXBMFYSA-N 1 1 276.383 3.814 20 30 CHEDMO C=CC[N@@H+](Cc1cc(F)c(O)cc1F)C1CCCCC1 ZINC001144663785 1131676482 /nfs/dbraw/zinc/67/64/82/1131676482.db2.gz JAJGETVRFNTPHA-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)c(O)cc1F)C1CCCCC1 ZINC001144663785 1131676485 /nfs/dbraw/zinc/67/64/85/1131676485.db2.gz JAJGETVRFNTPHA-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO Cc1cc([C@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)no1 ZINC001171204698 1131678499 /nfs/dbraw/zinc/67/84/99/1131678499.db2.gz ZUMNHDGOQFDKKG-FZKQIMNGSA-N 1 1 295.386 3.623 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC12CCCCC2 ZINC001171208518 1131683893 /nfs/dbraw/zinc/68/38/93/1131683893.db2.gz CJROEKXXXQNLNJ-HNNXBMFYSA-N 1 1 268.404 3.898 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(OCC)cc12 ZINC001140270197 1131686481 /nfs/dbraw/zinc/68/64/81/1131686481.db2.gz BASZIALPOSSDQX-UHFFFAOYSA-N 1 1 285.391 3.692 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(OCC)cc12 ZINC001140270197 1131686484 /nfs/dbraw/zinc/68/64/84/1131686484.db2.gz BASZIALPOSSDQX-UHFFFAOYSA-N 1 1 285.391 3.692 20 30 CHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001206122727 1131695714 /nfs/dbraw/zinc/69/57/14/1131695714.db2.gz UPBPOJAZKFUIEL-CQSZACIVSA-N 1 1 273.424 3.635 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1-c1cnc(N)nc1)C(C)(C)C ZINC001140326532 1131697798 /nfs/dbraw/zinc/69/77/98/1131697798.db2.gz USOCWHQQZHIFCC-UHFFFAOYSA-N 1 1 296.418 3.512 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cccc(F)c2C1 ZINC001171222994 1131706831 /nfs/dbraw/zinc/70/68/31/1131706831.db2.gz LAXYTWLONOCGPD-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cccc(F)c2C1 ZINC001171222994 1131706834 /nfs/dbraw/zinc/70/68/34/1131706834.db2.gz LAXYTWLONOCGPD-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001171222975 1131707008 /nfs/dbraw/zinc/70/70/08/1131707008.db2.gz KWIYLNSHTPSVHG-OLMNPRSZSA-N 1 1 268.404 3.754 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC12CC2 ZINC001171222066 1131707053 /nfs/dbraw/zinc/70/70/53/1131707053.db2.gz CHLHROPODBMOQQ-CQSZACIVSA-N 1 1 254.377 3.508 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC[C@H]1C ZINC001171221799 1131707086 /nfs/dbraw/zinc/70/70/86/1131707086.db2.gz VBEJPUTYOUICRN-HUUCEWRRSA-N 1 1 256.393 3.754 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2ccccn2)cc1 ZINC001140380278 1131708194 /nfs/dbraw/zinc/70/81/94/1131708194.db2.gz RONPGKYWUPNPFP-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)cc1 ZINC001140380278 1131708198 /nfs/dbraw/zinc/70/81/98/1131708198.db2.gz RONPGKYWUPNPFP-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO CCCCCCCCC/C=C/C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001144808428 1131709917 /nfs/dbraw/zinc/70/99/17/1131709917.db2.gz VOTIQHQJEVILJF-WKOYGUFESA-N 1 1 294.483 3.894 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453858 1131744416 /nfs/dbraw/zinc/74/44/16/1131744416.db2.gz OAACNUZBBGLNRU-CQSZACIVSA-N 1 1 297.427 3.936 20 30 CHEDMO Fc1ccccc1CN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000835010701 1131755180 /nfs/dbraw/zinc/75/51/80/1131755180.db2.gz ILZBICCRDQBSPB-CYBMUJFWSA-N 1 1 295.361 3.623 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CC2CC1(CN)C2 ZINC001246644609 1131765042 /nfs/dbraw/zinc/76/50/42/1131765042.db2.gz IJIYQKRWDGLRGL-HWOWSKLDSA-N 1 1 252.446 3.549 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC2CC1(CN)C2 ZINC001246644609 1131765050 /nfs/dbraw/zinc/76/50/50/1131765050.db2.gz IJIYQKRWDGLRGL-HWOWSKLDSA-N 1 1 252.446 3.549 20 30 CHEDMO C=CCc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001227927022 1131770271 /nfs/dbraw/zinc/77/02/71/1131770271.db2.gz OQLXHQDXPULNGD-MRXNPFEDSA-N 1 1 289.419 3.675 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cn1 ZINC001140543651 1131787234 /nfs/dbraw/zinc/78/72/34/1131787234.db2.gz QJALJZROUXJQFS-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cn1 ZINC001140543651 1131787241 /nfs/dbraw/zinc/78/72/41/1131787241.db2.gz QJALJZROUXJQFS-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140546188 1131787396 /nfs/dbraw/zinc/78/73/96/1131787396.db2.gz XQFMVQLXXQKAGQ-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc(O)c1Br ZINC001140553098 1131789634 /nfs/dbraw/zinc/78/96/34/1131789634.db2.gz UQDNMUONDUUGLW-UHFFFAOYSA-N 1 1 298.224 3.943 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001171299439 1131813581 /nfs/dbraw/zinc/81/35/81/1131813581.db2.gz ZEMFUTDRDLOKDD-HOTGVXAUSA-N 1 1 271.408 3.600 20 30 CHEDMO CC1(F)CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599687 1131819549 /nfs/dbraw/zinc/81/95/49/1131819549.db2.gz MZUSIINSZMESQX-UHFFFAOYSA-N 1 1 266.747 3.536 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001140600932 1131820762 /nfs/dbraw/zinc/82/07/62/1131820762.db2.gz BBEOZJMPEAUJEE-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO CC(C)[N@H+](Cc1cc(C#N)ccc1Cl)CC1CC1 ZINC001140601381 1131823706 /nfs/dbraw/zinc/82/37/06/1131823706.db2.gz PZQYCYLZYMVXJY-UHFFFAOYSA-N 1 1 262.784 3.832 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603977 1131824595 /nfs/dbraw/zinc/82/45/95/1131824595.db2.gz LPNXLXHGHFOTGM-HNNXBMFYSA-N 1 1 262.784 3.832 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603978 1131824676 /nfs/dbraw/zinc/82/46/76/1131824676.db2.gz LPNXLXHGHFOTGM-OAHLLOKOSA-N 1 1 262.784 3.832 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001140639338 1131838183 /nfs/dbraw/zinc/83/81/83/1131838183.db2.gz VRHOMIQPQPTVHX-CYBMUJFWSA-N 1 1 255.386 3.747 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc2ccncc21 ZINC001140645134 1131843356 /nfs/dbraw/zinc/84/33/56/1131843356.db2.gz LJYIMZNUKMBRSZ-UHFFFAOYSA-N 1 1 267.376 3.751 20 30 CHEDMO CCC1(c2ccc(Cl)cc2)CC[NH+](CCC#N)CC1 ZINC000348172517 1131898518 /nfs/dbraw/zinc/89/85/18/1131898518.db2.gz XUMAXTKUERHCMT-UHFFFAOYSA-N 1 1 276.811 3.997 20 30 CHEDMO C[N@@H+](CCc1cccs1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754429 1131907892 /nfs/dbraw/zinc/90/78/92/1131907892.db2.gz ZJPVNOANBJAAJS-UHFFFAOYSA-N 1 1 292.354 3.572 20 30 CHEDMO C[N@H+]1CC[C@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228560904 1131910888 /nfs/dbraw/zinc/91/08/88/1131910888.db2.gz FBBREUAWOANGCE-KRWDZBQOSA-N 1 1 280.371 3.520 20 30 CHEDMO N#CCC[N@@H+](Cc1cc(O)cc(Cl)c1)C1CCCC1 ZINC001140794568 1131920917 /nfs/dbraw/zinc/92/09/17/1131920917.db2.gz QGLIGBKPXSHBGC-UHFFFAOYSA-N 1 1 278.783 3.704 20 30 CHEDMO N#CCC[N@H+](Cc1cc(O)cc(Cl)c1)C1CCCC1 ZINC001140794568 1131920920 /nfs/dbraw/zinc/92/09/20/1131920920.db2.gz QGLIGBKPXSHBGC-UHFFFAOYSA-N 1 1 278.783 3.704 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1Cl ZINC001140806817 1131930237 /nfs/dbraw/zinc/93/02/37/1131930237.db2.gz SUYLUDKNLLFHDA-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1Cl ZINC001140806817 1131930242 /nfs/dbraw/zinc/93/02/42/1131930242.db2.gz SUYLUDKNLLFHDA-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1Cl ZINC001140808549 1131931698 /nfs/dbraw/zinc/93/16/98/1131931698.db2.gz VEVJSRXMYMJJOV-UHFFFAOYSA-N 1 1 284.737 3.833 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1Cl ZINC001140808549 1131931700 /nfs/dbraw/zinc/93/17/00/1131931700.db2.gz VEVJSRXMYMJJOV-UHFFFAOYSA-N 1 1 284.737 3.833 20 30 CHEDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(C#N)c1Cl ZINC001140812835 1131932518 /nfs/dbraw/zinc/93/25/18/1131932518.db2.gz MZLCZBWITMSPDZ-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cnccc1C(F)(F)F ZINC001140919801 1131963535 /nfs/dbraw/zinc/96/35/35/1131963535.db2.gz DQPBMECQUUAKJN-UHFFFAOYSA-N 1 1 272.314 3.889 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1ncc(Cl)nc1Cl ZINC001141138696 1132027074 /nfs/dbraw/zinc/02/70/74/1132027074.db2.gz UNOKAJZHXQLASF-UHFFFAOYSA-N 1 1 274.195 3.572 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ncc(Cl)nc1Cl ZINC001141138696 1132027081 /nfs/dbraw/zinc/02/70/81/1132027081.db2.gz UNOKAJZHXQLASF-UHFFFAOYSA-N 1 1 274.195 3.572 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1Cl ZINC001141236139 1132054143 /nfs/dbraw/zinc/05/41/43/1132054143.db2.gz LIAXKMWDPUQHFB-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO N#CCC[N@@H+](Cc1cccc(-n2ccnc2)c1)C1CCCC1 ZINC001141242493 1132056586 /nfs/dbraw/zinc/05/65/86/1132056586.db2.gz XKAFYIMDONHLJP-UHFFFAOYSA-N 1 1 294.402 3.531 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001171841755 1132106863 /nfs/dbraw/zinc/10/68/63/1132106863.db2.gz SEKCJVDTCOSTPF-LBPRGKRZSA-N 1 1 251.320 3.753 20 30 CHEDMO CC[C@@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973900 1132117292 /nfs/dbraw/zinc/11/72/92/1132117292.db2.gz AVTRMEKWDXNHFG-ROUUACIJSA-N 1 1 299.462 3.711 20 30 CHEDMO C=CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172072900 1132121305 /nfs/dbraw/zinc/12/13/05/1132121305.db2.gz NVEZDDXVMVECFQ-LDLYASANSA-N 1 1 284.447 3.738 20 30 CHEDMO CCCCCCC/C=C/CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156948 1132123119 /nfs/dbraw/zinc/12/31/19/1132123119.db2.gz UQGJPFSHRQBAGV-USQNJUIBSA-N 1 1 270.436 3.664 20 30 CHEDMO N#CCC[N@@H+](C1C[C@@H]2C=C[C@H](C1)O2)C1CCCCCCC1 ZINC001172241465 1132150838 /nfs/dbraw/zinc/15/08/38/1132150838.db2.gz ZRHSXYOQIXATIJ-AYHJJNSGSA-N 1 1 288.435 3.801 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001172305115 1132153239 /nfs/dbraw/zinc/15/32/39/1132153239.db2.gz BQELWSJYMNOIHX-SWLSCSKDSA-N 1 1 296.336 3.764 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC2(CCCC2)C1 ZINC001172304876 1132153533 /nfs/dbraw/zinc/15/35/33/1132153533.db2.gz ATSXUERFUUWWAS-HNNXBMFYSA-N 1 1 268.404 3.755 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001172307946 1132153851 /nfs/dbraw/zinc/15/38/51/1132153851.db2.gz IHYYRJKDWIMRLH-DNVCBOLYSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001172308385 1132154002 /nfs/dbraw/zinc/15/40/02/1132154002.db2.gz XJZVLBIWDYQOBX-RBSFLKMASA-N 1 1 256.393 3.610 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172313256 1132154597 /nfs/dbraw/zinc/15/45/97/1132154597.db2.gz SPYZXIYLLDWNGG-PBHICJAKSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001172313609 1132154624 /nfs/dbraw/zinc/15/46/24/1132154624.db2.gz DQSZECHXWKIVSX-ZTFGCOKTSA-N 1 1 268.404 3.611 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CC[C@@H](C)CC1 ZINC001172318113 1132157297 /nfs/dbraw/zinc/15/72/97/1132157297.db2.gz YZTLJOUSDJKSMN-IIDMSEBBSA-N 1 1 270.420 4.000 20 30 CHEDMO Cc1cccc2c1C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172316291 1132157310 /nfs/dbraw/zinc/15/73/10/1132157310.db2.gz REOIKRSSOJUKPW-HNNXBMFYSA-N 1 1 276.383 3.814 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1nccs1 ZINC001172319261 1132158340 /nfs/dbraw/zinc/15/83/40/1132158340.db2.gz LWBXRPKLYWCHCC-CJNGLKHVSA-N 1 1 297.427 3.783 20 30 CHEDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172343746 1132179701 /nfs/dbraw/zinc/17/97/01/1132179701.db2.gz USBBHVLYKDXWGX-HUUCEWRRSA-N 1 1 274.408 3.584 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC2(COC2)C1 ZINC001172357892 1132187060 /nfs/dbraw/zinc/18/70/60/1132187060.db2.gz MMHRROLLYUIOTN-OAHLLOKOSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+](C)CCC1OCCO1 ZINC001172355466 1132184234 /nfs/dbraw/zinc/18/42/34/1132184234.db2.gz OVOHARXFYAOEPZ-HNNXBMFYSA-N 1 1 271.445 3.820 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001172362287 1132189055 /nfs/dbraw/zinc/18/90/55/1132189055.db2.gz UHTDYYJKRPIPFZ-NVXWUHKLSA-N 1 1 282.472 3.678 20 30 CHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(C#N)cccc1C(C)(C)C)C2 ZINC001230633384 1132201765 /nfs/dbraw/zinc/20/17/65/1132201765.db2.gz TXPBGCZBNXNHHV-ZSHCYNCHSA-N 1 1 298.430 3.860 20 30 CHEDMO CC[N@@H+](CCc1ccccn1)CCC1(C#N)CCCCC1 ZINC000839507791 1132219466 /nfs/dbraw/zinc/21/94/66/1132219466.db2.gz BFVGOWCTKDIUDS-UHFFFAOYSA-N 1 1 285.435 3.810 20 30 CHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](CC)CC(C)C)C2 ZINC001172397612 1132220442 /nfs/dbraw/zinc/22/04/42/1132220442.db2.gz LOSBTLBONZLHGD-OKZBNKHCSA-N 1 1 295.467 3.637 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(COC(C)=O)o1)Cc1ccccc1 ZINC001141792854 1132248042 /nfs/dbraw/zinc/24/80/42/1132248042.db2.gz WJQLULOOCJIRML-UHFFFAOYSA-N 1 1 299.370 3.531 20 30 CHEDMO C=CC[N@H+](Cc1ccc(COC(C)=O)o1)Cc1ccccc1 ZINC001141792854 1132248045 /nfs/dbraw/zinc/24/80/45/1132248045.db2.gz WJQLULOOCJIRML-UHFFFAOYSA-N 1 1 299.370 3.531 20 30 CHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H](C)CCCC#N ZINC001172498391 1132248515 /nfs/dbraw/zinc/24/85/15/1132248515.db2.gz MJHSKAJJSFXYLK-GJZGRUSLSA-N 1 1 274.408 3.640 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001172499558 1132249800 /nfs/dbraw/zinc/24/98/00/1132249800.db2.gz DUGWOELMOUCIRR-CJNGLKHVSA-N 1 1 292.423 3.998 20 30 CHEDMO CCCCCCC[C@@H](CCC)[NH2+]Cc1noc(C)n1 ZINC001172500708 1132249963 /nfs/dbraw/zinc/24/99/63/1132249963.db2.gz CLAKHKAPITVBDW-CQSZACIVSA-N 1 1 267.417 3.997 20 30 CHEDMO CC[N@@H+]([C@H](C)CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001172500689 1132250165 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N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000278704227 263049936 /nfs/dbraw/zinc/04/99/36/263049936.db2.gz TWXHJVIBQALDEJ-BZUAXINKSA-N 1 1 286.444 3.793 20 30 CHEDMO CCOc1ccc([C@@H]([NH2+]CCC#N)C(C)C)cc1OCC ZINC000281240645 263067568 /nfs/dbraw/zinc/06/75/68/263067568.db2.gz FKOHOZZFXRBBJW-KRWDZBQOSA-N 1 1 290.407 3.684 20 30 CHEDMO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1O ZINC000282150429 263074804 /nfs/dbraw/zinc/07/48/04/263074804.db2.gz COXITFFHOMZQGM-PNESKVBLSA-N 1 1 276.355 3.512 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000285432190 263092927 /nfs/dbraw/zinc/09/29/27/263092927.db2.gz RENOXOAPVBLPPR-HKUYNNGSSA-N 1 1 295.430 3.874 20 30 CHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC#N)cc1 ZINC000292625176 263133283 /nfs/dbraw/zinc/13/32/83/263133283.db2.gz NSCMIWZNZYNRMK-HNNXBMFYSA-N 1 1 299.418 3.693 20 30 CHEDMO CCc1ccc([C@@H]2CC[N@@H+](CCCCC#N)C2)cc1 ZINC000293147473 263138298 /nfs/dbraw/zinc/13/82/98/263138298.db2.gz 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/nfs/dbraw/zinc/24/18/37/263241837.db2.gz VXGYHNRQHYKZSL-UHFFFAOYSA-N 1 1 281.197 3.575 20 30 CHEDMO CC[N@@H+](CCCC#N)Cc1ccccc1Br ZINC000299401273 263241839 /nfs/dbraw/zinc/24/18/39/263241839.db2.gz VXGYHNRQHYKZSL-UHFFFAOYSA-N 1 1 281.197 3.575 20 30 CHEDMO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCC#N)cc1 ZINC000299711816 263252915 /nfs/dbraw/zinc/25/29/15/263252915.db2.gz QNFQJOQMHDMRAM-GOSISDBHSA-N 1 1 298.361 3.621 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000187701768 263265895 /nfs/dbraw/zinc/26/58/95/263265895.db2.gz LSKQWFAPHZFRAJ-HNNXBMFYSA-N 1 1 284.403 3.654 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000340916452 263314379 /nfs/dbraw/zinc/31/43/79/263314379.db2.gz NCZVYMISLNCLQW-OWCLPIDISA-N 1 1 261.413 3.511 20 30 CHEDMO CCC[N@@H+](CCCSCC#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342145646 263399435 /nfs/dbraw/zinc/39/94/35/263399435.db2.gz KZMXUJKIECZBPQ-LSDHHAIUSA-N 1 1 298.496 3.549 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000342765566 263493690 /nfs/dbraw/zinc/49/36/90/263493690.db2.gz PMXUBTAHGVKESY-NVXWUHKLSA-N 1 1 288.435 3.540 20 30 CHEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000124530749 263866669 /nfs/dbraw/zinc/86/66/69/263866669.db2.gz FVEDNMFSRBNFRR-UHFFFAOYSA-N 1 1 291.782 3.786 20 30 CHEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000124530749 263866670 /nfs/dbraw/zinc/86/66/70/263866670.db2.gz FVEDNMFSRBNFRR-UHFFFAOYSA-N 1 1 291.782 3.786 20 30 CHEDMO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000330813808 264045883 /nfs/dbraw/zinc/04/58/83/264045883.db2.gz FMZBDBTZVKCPQA-NVXWUHKLSA-N 1 1 284.403 3.596 20 30 CHEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330929643 264095527 /nfs/dbraw/zinc/09/55/27/264095527.db2.gz NNGXCURAGRZSBO-NVXWUHKLSA-N 1 1 285.391 3.647 20 30 CHEDMO Cc1ccncc1CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425364424 264137614 /nfs/dbraw/zinc/13/76/14/264137614.db2.gz GJSBBBUDFILLIB-MRXNPFEDSA-N 1 1 293.414 3.887 20 30 CHEDMO CCc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425367239 264211870 /nfs/dbraw/zinc/21/18/70/264211870.db2.gz RZDXLQZSFRWEIE-CYBMUJFWSA-N 1 1 268.360 3.907 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC000189760617 264333165 /nfs/dbraw/zinc/33/31/65/264333165.db2.gz WVHUUYPIEUVLKY-UHFFFAOYSA-N 1 1 252.361 3.578 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000518879597 265193008 /nfs/dbraw/zinc/19/30/08/265193008.db2.gz AVBAOJGKZMAVOB-UHFFFAOYSA-N 1 1 286.375 3.948 20 30 CHEDMO CCC(CC)[N@@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000519194667 265362954 /nfs/dbraw/zinc/36/29/54/265362954.db2.gz HIHKPZPBURMWTA-UHFFFAOYSA-N 1 1 260.356 3.850 20 30 CHEDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCCC#N ZINC000519742058 265582205 /nfs/dbraw/zinc/58/22/05/265582205.db2.gz QCJDAQSTRVNKRO-CQSZACIVSA-N 1 1 291.826 3.544 20 30 CHEDMO N#CCCC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000514604558 266015697 /nfs/dbraw/zinc/01/56/97/266015697.db2.gz DYSQOTHDPVKQMB-UHFFFAOYSA-N 1 1 282.309 3.620 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356299328 266091365 /nfs/dbraw/zinc/09/13/65/266091365.db2.gz KFNGIXSYCOAIPE-SWLSCSKDSA-N 1 1 283.400 3.598 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356299328 266091367 /nfs/dbraw/zinc/09/13/67/266091367.db2.gz KFNGIXSYCOAIPE-SWLSCSKDSA-N 1 1 283.400 3.598 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)CC1(SC)CCC1 ZINC000356407492 266109300 /nfs/dbraw/zinc/10/93/00/266109300.db2.gz GZZVSERQMJOSJE-UHFFFAOYSA-N 1 1 265.422 3.596 20 30 CHEDMO C=CC[N@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000356412309 266110218 /nfs/dbraw/zinc/11/02/18/266110218.db2.gz MJBWGMGOENTCSY-UHFFFAOYSA-N 1 1 261.312 3.917 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(C)c1O ZINC000356446194 266116314 /nfs/dbraw/zinc/11/63/14/266116314.db2.gz LHXSNSUNQGDDRO-UHFFFAOYSA-N 1 1 280.371 3.513 20 30 CHEDMO N#CCCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000368359464 267165782 /nfs/dbraw/zinc/16/57/82/267165782.db2.gz CWCPGWRYSRIWEV-ZDUSSCGKSA-N 1 1 282.309 3.798 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOCC2(CCCC2)C1 ZINC000369962842 267279614 /nfs/dbraw/zinc/27/96/14/267279614.db2.gz ACARQHRCNJKTMU-HNNXBMFYSA-N 1 1 284.403 3.512 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000370690075 267339908 /nfs/dbraw/zinc/33/99/08/267339908.db2.gz LTWALFFIXSTWOP-NJAFHUGGSA-N 1 1 298.430 3.758 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1 ZINC000120020397 267352604 /nfs/dbraw/zinc/35/26/04/267352604.db2.gz DYXPYNTXRLJEGG-UHFFFAOYSA-N 1 1 274.364 3.781 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H](C)[C@H]1C ZINC000418133749 267359496 /nfs/dbraw/zinc/35/94/96/267359496.db2.gz NVXIWBQKGZPEFF-PMPSAXMXSA-N 1 1 286.419 3.845 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCC1 ZINC000418140811 267362292 /nfs/dbraw/zinc/36/22/92/267362292.db2.gz KFBMIZYXNSZNMR-UHFFFAOYSA-N 1 1 285.778 3.672 20 30 CHEDMO CC(C)c1ccc(C[NH2+]CC2(C#N)CCC2)cc1[N+](=O)[O-] ZINC000418139076 267362359 /nfs/dbraw/zinc/36/23/59/267362359.db2.gz HHBANVXIYNXJRX-UHFFFAOYSA-N 1 1 287.363 3.502 20 30 CHEDMO CC(C)COc1ccccc1C[NH2+]CC1(C#N)CCC1 ZINC000418141854 267363784 /nfs/dbraw/zinc/36/37/84/267363784.db2.gz MDDNAQYCSJINAQ-UHFFFAOYSA-N 1 1 272.392 3.505 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000371332933 267392204 /nfs/dbraw/zinc/39/22/04/267392204.db2.gz RZGHQGMBNFRHJJ-GDBMZVCRSA-N 1 1 296.370 3.560 20 30 CHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000377111533 268048963 /nfs/dbraw/zinc/04/89/63/268048963.db2.gz ICPHBICSZNRNQQ-AEFFLSMTSA-N 1 1 290.451 3.599 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCCF ZINC000377131320 268050328 /nfs/dbraw/zinc/05/03/28/268050328.db2.gz UIONNAHCKAVHEY-JKSUJKDBSA-N 1 1 260.356 3.508 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534218241 328039910 /nfs/dbraw/zinc/03/99/10/328039910.db2.gz UYSWCLLYFLSKAH-SFHVURJKSA-N 1 1 270.420 3.980 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2[nH]cnc2c1 ZINC000534334668 328048805 /nfs/dbraw/zinc/04/88/05/328048805.db2.gz GLOKGMSEFYWCCS-UHFFFAOYSA-N 1 1 283.400 3.813 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc2nc[nH]c2c1 ZINC000534334668 328048806 /nfs/dbraw/zinc/04/88/06/328048806.db2.gz GLOKGMSEFYWCCS-UHFFFAOYSA-N 1 1 283.400 3.813 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2nc[nH]c2c1 ZINC000534334668 328048808 /nfs/dbraw/zinc/04/88/08/328048808.db2.gz GLOKGMSEFYWCCS-UHFFFAOYSA-N 1 1 283.400 3.813 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1C#N)C1CCCC1 ZINC000110364194 328048894 /nfs/dbraw/zinc/04/88/94/328048894.db2.gz CJFDPGUHCXJGMT-UHFFFAOYSA-N 1 1 256.393 3.959 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000571295018 328100300 /nfs/dbraw/zinc/10/03/00/328100300.db2.gz MLLSOLCMDFWWBQ-OAHLLOKOSA-N 1 1 272.392 3.596 20 30 CHEDMO Cc1ccoc1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411757735 328098580 /nfs/dbraw/zinc/09/85/80/328098580.db2.gz LRNPYRWJKOGFRZ-UHFFFAOYSA-N 1 1 260.381 3.884 20 30 CHEDMO CCC[N@@H+](CCc1cccc(F)c1)C[C@H](C#N)CCC#N ZINC000265020490 328164675 /nfs/dbraw/zinc/16/46/75/328164675.db2.gz SGCCSHQSVBPUSI-INIZCTEOSA-N 1 1 287.382 3.524 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265901299 328167184 /nfs/dbraw/zinc/16/71/84/328167184.db2.gz UYBRMHGKYAAJIZ-KSZLIROESA-N 1 1 298.430 3.584 20 30 CHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cncs1 ZINC000271511740 328196636 /nfs/dbraw/zinc/19/66/36/328196636.db2.gz NVTBOXJIAPAFRJ-GXTWGEPZSA-N 1 1 271.389 3.839 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437596527 328209285 /nfs/dbraw/zinc/20/92/85/328209285.db2.gz YXQUSVHONXGTNS-DJIMGWMZSA-N 1 1 256.393 3.588 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000276355279 328217822 /nfs/dbraw/zinc/21/78/22/328217822.db2.gz XHLSLKVDJYIOKX-LLVKDONJSA-N 1 1 286.297 3.709 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCC1(F)F ZINC000289949309 328257023 /nfs/dbraw/zinc/25/70/23/328257023.db2.gz VWXRHSWIYONVQD-ZDUSSCGKSA-N 1 1 292.373 3.965 20 30 CHEDMO CC(C)[N@@H+](CCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000292588979 328272597 /nfs/dbraw/zinc/27/25/97/328272597.db2.gz KGHQXGKLOYNGRK-UHFFFAOYSA-N 1 1 286.419 3.585 20 30 CHEDMO CC(C)N1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340451009 328279154 /nfs/dbraw/zinc/27/91/54/328279154.db2.gz ZAINUEUVJRPKJR-IBGZPJMESA-N 1 1 299.462 3.884 20 30 CHEDMO CC(C)N1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340451012 328279162 /nfs/dbraw/zinc/27/91/62/328279162.db2.gz ZAINUEUVJRPKJR-LJQANCHMSA-N 1 1 299.462 3.884 20 30 CHEDMO C[C@H](c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1)C(F)(F)F ZINC000297054931 328293579 /nfs/dbraw/zinc/29/35/79/328293579.db2.gz IQBPQYPAIZBVNA-VXGBXAGGSA-N 1 1 284.325 3.944 20 30 CHEDMO C[C@H](c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1)C(F)(F)F ZINC000297054931 328293581 /nfs/dbraw/zinc/29/35/81/328293581.db2.gz IQBPQYPAIZBVNA-VXGBXAGGSA-N 1 1 284.325 3.944 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCOc1ccccc1C#N ZINC000048554223 328312232 /nfs/dbraw/zinc/31/22/32/328312232.db2.gz OFQNAZQMWCZVSM-ZDUSSCGKSA-N 1 1 286.400 3.692 20 30 CHEDMO Cc1cc(N[C@H](CCC#N)c2ccccc2)nc(C)[nH+]1 ZINC000164331086 328344112 /nfs/dbraw/zinc/34/41/12/328344112.db2.gz FCCGGXMJJZPSDS-OAHLLOKOSA-N 1 1 266.348 3.550 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCOc1ccccc1C#N ZINC000303694685 328357694 /nfs/dbraw/zinc/35/76/94/328357694.db2.gz MZJLBACBARTDDA-HLLBOEOZSA-N 1 1 284.403 3.590 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000303720926 328357915 /nfs/dbraw/zinc/35/79/15/328357915.db2.gz RRXHIOJKXRMIQN-INIZCTEOSA-N 1 1 293.414 3.687 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(Cl)ccc1C#N ZINC000303793378 328358562 /nfs/dbraw/zinc/35/85/62/328358562.db2.gz QQGJWGAGPWRYCZ-HNNXBMFYSA-N 1 1 291.826 3.888 20 30 CHEDMO C=CCCC[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000534914754 328368590 /nfs/dbraw/zinc/36/85/90/328368590.db2.gz DBKZNKKEDIOYGW-OAHLLOKOSA-N 1 1 261.409 3.772 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccco1 ZINC000530505950 326820757 /nfs/dbraw/zinc/82/07/57/326820757.db2.gz YLQFLMKOSVTJET-OAHLLOKOSA-N 1 1 256.349 3.780 20 30 CHEDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000530714362 326887398 /nfs/dbraw/zinc/88/73/98/326887398.db2.gz QBSBZRNIABRXTP-MOPGFXCFSA-N 1 1 299.462 3.548 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000558117121 327074740 /nfs/dbraw/zinc/07/47/40/327074740.db2.gz SETNJFMCXSESTI-MRXNPFEDSA-N 1 1 292.304 3.906 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000558566104 327105739 /nfs/dbraw/zinc/10/57/39/327105739.db2.gz CGVHPCXGTIIVQM-JTQLQIEISA-N 1 1 282.309 3.807 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCCSCC#N ZINC000074981773 327122616 /nfs/dbraw/zinc/12/26/16/327122616.db2.gz NSWRQEIFAIBTBF-ZDUSSCGKSA-N 1 1 280.462 3.704 20 30 CHEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000559105872 327141504 /nfs/dbraw/zinc/14/15/04/327141504.db2.gz ITCKYVRSUMLDOI-FGTMMUONSA-N 1 1 298.430 3.642 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000566183939 327158902 /nfs/dbraw/zinc/15/89/02/327158902.db2.gz FTGFWLMCVBWZBB-UHFFFAOYSA-N 1 1 269.310 3.787 20 30 CHEDMO C[C@@H](c1ccccn1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000091701597 327175420 /nfs/dbraw/zinc/17/54/20/327175420.db2.gz VATRFXCSFSAHGR-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@@H](c1ccccn1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000091701597 327175422 /nfs/dbraw/zinc/17/54/22/327175422.db2.gz VATRFXCSFSAHGR-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091896274 327186991 /nfs/dbraw/zinc/18/69/91/327186991.db2.gz JZCFGOWVAYWHGD-UHFFFAOYSA-N 1 1 260.356 3.514 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893802 327187027 /nfs/dbraw/zinc/18/70/27/327187027.db2.gz GAVNPYYHOPTJNL-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893802 327187029 /nfs/dbraw/zinc/18/70/29/327187029.db2.gz GAVNPYYHOPTJNL-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]([N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)C1(C)CC1 ZINC000091900742 327187184 /nfs/dbraw/zinc/18/71/84/327187184.db2.gz GUVZZMVBBILRGO-OAHLLOKOSA-N 1 1 285.435 3.657 20 30 CHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCCC#N ZINC000102397593 327226869 /nfs/dbraw/zinc/22/68/69/327226869.db2.gz SMEUQBAZOCJXFM-LLVKDONJSA-N 1 1 252.308 3.651 20 30 CHEDMO C=CCCCCC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000560170530 327288463 /nfs/dbraw/zinc/28/84/63/327288463.db2.gz NZVVSZBDMROLBA-LJQANCHMSA-N 1 1 286.463 3.592 20 30 CHEDMO C=CCC[C@H](NCC[N@H+](C)[C@H](C)CC)c1ccco1 ZINC000560526933 327318753 /nfs/dbraw/zinc/31/87/53/327318753.db2.gz JCRQIMVARNHYSQ-CABCVRRESA-N 1 1 264.413 3.607 20 30 CHEDMO C=CCC[C@H]([NH2+]CCN(C)[C@H](C)CC)c1ccco1 ZINC000560526933 327318755 /nfs/dbraw/zinc/31/87/55/327318755.db2.gz JCRQIMVARNHYSQ-CABCVRRESA-N 1 1 264.413 3.607 20 30 CHEDMO C=CCC[C@@H](CCC)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000560581158 327327603 /nfs/dbraw/zinc/32/76/03/327327603.db2.gz 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329232024 /nfs/dbraw/zinc/23/20/24/329232024.db2.gz SGJARGKMIHXLAX-ZDUSSCGKSA-N 1 1 256.349 3.911 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000181333641 329232026 /nfs/dbraw/zinc/23/20/26/329232026.db2.gz SGJARGKMIHXLAX-ZDUSSCGKSA-N 1 1 256.349 3.911 20 30 CHEDMO CC[N@@H+](Cc1ccc(C(F)F)cc1)C[C@H](C)C#N ZINC000183932592 329254785 /nfs/dbraw/zinc/25/47/85/329254785.db2.gz ZPWBEMGBMBFHOG-LLVKDONJSA-N 1 1 252.308 3.606 20 30 CHEDMO CC[N@H+](Cc1ccc(C(F)F)cc1)C[C@H](C)C#N ZINC000183932592 329254786 /nfs/dbraw/zinc/25/47/86/329254786.db2.gz ZPWBEMGBMBFHOG-LLVKDONJSA-N 1 1 252.308 3.606 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000584380076 329307409 /nfs/dbraw/zinc/30/74/09/329307409.db2.gz JIVVNWQAMZOERZ-ARFHVFGLSA-N 1 1 263.425 3.765 20 30 CHEDMO N#CCC[N@@H+](CCCCc1ccccc1)CC1CC1 ZINC000187113837 329353376 /nfs/dbraw/zinc/35/33/76/329353376.db2.gz LHVAGQCANKUFQN-UHFFFAOYSA-N 1 1 256.393 3.635 20 30 CHEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000187579555 329359230 /nfs/dbraw/zinc/35/92/30/329359230.db2.gz IQVATVMLNIIFRD-QAPCUYQASA-N 1 1 286.419 3.990 20 30 CHEDMO N#CCC[C@H](C#N)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190318706 329394734 /nfs/dbraw/zinc/39/47/34/329394734.db2.gz ITCCMEYXHRVYSW-MRXNPFEDSA-N 1 1 273.424 3.866 20 30 CHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C2CC2)cc1 ZINC000419333704 329717676 /nfs/dbraw/zinc/71/76/76/329717676.db2.gz FYVBHRZYTHGSRL-KGLIPLIRSA-N 1 1 267.376 3.658 20 30 CHEDMO N#Cc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1F ZINC000421357429 329822301 /nfs/dbraw/zinc/82/23/01/329822301.db2.gz ODOMVTKBUBLWDA-UHFFFAOYSA-N 1 1 267.307 3.582 20 30 CHEDMO CC(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000571875711 329925656 /nfs/dbraw/zinc/92/56/56/329925656.db2.gz WLGSARCILLUTMC-WBMJQRKESA-N 1 1 291.345 3.695 20 30 CHEDMO C=CCCCC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000267124797 330064808 /nfs/dbraw/zinc/06/48/08/330064808.db2.gz DYGSRDYUZKAUQH-UHFFFAOYSA-N 1 1 272.392 3.707 20 30 CHEDMO C=CCCCC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000267124797 330064809 /nfs/dbraw/zinc/06/48/09/330064809.db2.gz DYGSRDYUZKAUQH-UHFFFAOYSA-N 1 1 272.392 3.707 20 30 CHEDMO C#CCCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000270987089 330077382 /nfs/dbraw/zinc/07/73/82/330077382.db2.gz DHPPADZKSPQWAJ-LBPRGKRZSA-N 1 1 258.390 3.703 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1occc1C(=O)OC)c1ccccc1 ZINC000271745814 330081899 /nfs/dbraw/zinc/08/18/99/330081899.db2.gz RBKKCVNRMUNMQK-INIZCTEOSA-N 1 1 299.370 3.863 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273410893 330093103 /nfs/dbraw/zinc/09/31/03/330093103.db2.gz IDWGGJDWFROICK-GJZGRUSLSA-N 1 1 283.774 3.730 20 30 CHEDMO C=C(C)COc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000272894506 330094378 /nfs/dbraw/zinc/09/43/78/330094378.db2.gz OMBBRUSNQNWOIS-IAGOWNOFSA-N 1 1 286.419 3.680 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000276176026 330112293 /nfs/dbraw/zinc/11/22/93/330112293.db2.gz UFQWBIQITFSJNH-UHFFFAOYSA-N 1 1 282.387 3.669 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ZINC000120463885 330388254 /nfs/dbraw/zinc/38/82/54/330388254.db2.gz IHEOVCSPMVUVLN-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO CCc1nc(N[C@@H](CCCC#N)c2ccccc2)cc(C)[nH+]1 ZINC000431510198 330586087 /nfs/dbraw/zinc/58/60/87/330586087.db2.gz XTMSFFVIPLODDS-INIZCTEOSA-N 1 1 294.402 3.616 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000433195165 330619414 /nfs/dbraw/zinc/61/94/14/330619414.db2.gz RNBXCYACXXZMOU-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO Cc1cc(C[NH2+]Cc2nc(C(C)C)cs2)ccc1C#N ZINC000444004157 330809087 /nfs/dbraw/zinc/80/90/87/330809087.db2.gz WXSIYRAWTWANSG-UHFFFAOYSA-N 1 1 285.416 3.736 20 30 CHEDMO CC(C)CCc1ccc(N[C@H]2CC[C@@H](C#N)C2)[nH+]c1 ZINC000449708213 330945364 /nfs/dbraw/zinc/94/53/64/330945364.db2.gz FZLXTUDSSLQURK-CABCVRRESA-N 1 1 257.381 3.774 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c(Cl)c1 ZINC000451654280 331037942 /nfs/dbraw/zinc/03/79/42/331037942.db2.gz OJRGGMGGGNVXNG-OAHLLOKOSA-N 1 1 292.835 3.539 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)c(Cl)c1 ZINC000451654280 331037943 /nfs/dbraw/zinc/03/79/43/331037943.db2.gz OJRGGMGGGNVXNG-OAHLLOKOSA-N 1 1 292.835 3.539 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)cc1 ZINC000453359520 331122243 /nfs/dbraw/zinc/12/22/43/331122243.db2.gz OWGRIRCXZFLVSI-MRXNPFEDSA-N 1 1 281.359 3.665 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459305051 331275426 /nfs/dbraw/zinc/27/54/26/331275426.db2.gz PVPRVDGTYLRVSC-OALUTQOASA-N 1 1 276.383 3.794 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2cnc(C3CC3)nc2)CCCC1(C)C ZINC000459511695 331285536 /nfs/dbraw/zinc/28/55/36/331285536.db2.gz JDCPYBSNNWNDKH-MRXNPFEDSA-N 1 1 285.435 3.921 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459757398 331298799 /nfs/dbraw/zinc/29/87/99/331298799.db2.gz RYLSYFZSWCAIEW-UHFFFAOYSA-N 1 1 260.356 3.861 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459757398 331298800 /nfs/dbraw/zinc/29/88/00/331298800.db2.gz RYLSYFZSWCAIEW-UHFFFAOYSA-N 1 1 260.356 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CC(C)(C#N)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549171776 334186869 /nfs/dbraw/zinc/18/68/69/334186869.db2.gz PJKFILJIULMCQL-GFCCVEGCSA-N 1 1 288.357 3.981 20 30 CHEDMO C=CCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000549350245 334191165 /nfs/dbraw/zinc/19/11/65/334191165.db2.gz QRJMNXAWEUAHDG-MRXNPFEDSA-N 1 1 259.393 3.526 20 30 CHEDMO C=CCOCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000549366959 334191291 /nfs/dbraw/zinc/19/12/91/334191291.db2.gz DHOWGFBJSPWPFK-LBPRGKRZSA-N 1 1 253.773 3.535 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081573321 334197190 /nfs/dbraw/zinc/19/71/90/334197190.db2.gz FFBAOURQHBVIBV-KDOFPFPSSA-N 1 1 262.356 3.751 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081573321 334197191 /nfs/dbraw/zinc/19/71/91/334197191.db2.gz FFBAOURQHBVIBV-KDOFPFPSSA-N 1 1 262.356 3.751 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000550210605 334215932 /nfs/dbraw/zinc/21/59/32/334215932.db2.gz IHPRIPRJHHPFAI-KRWDZBQOSA-N 1 1 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C[C@H](CCC#N)[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933658141 1128439756 /nfs/dbraw/zinc/43/97/56/1128439756.db2.gz WOLKEYRWNWSKCF-QAPCUYQASA-N 1 1 282.387 3.619 20 30 CHEDMO C#CCCCCCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770255 1128442810 /nfs/dbraw/zinc/44/28/10/1128442810.db2.gz MFLKQLGZAIQYAB-UHFFFAOYSA-N 1 1 260.406 3.635 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000778202448 1128445185 /nfs/dbraw/zinc/44/51/85/1128445185.db2.gz HUBZAHNABDZRIB-SFHVURJKSA-N 1 1 286.419 3.553 20 30 CHEDMO CCC[C@](C)([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000934180911 1128453520 /nfs/dbraw/zinc/45/35/20/1128453520.db2.gz XYRGVYLMKWUEJM-INIZCTEOSA-N 1 1 285.416 3.820 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000934469874 1128460975 /nfs/dbraw/zinc/46/09/75/1128460975.db2.gz INMFOLOOCJTGDB-HNNXBMFYSA-N 1 1 256.324 3.524 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC000934469023 1128461368 /nfs/dbraw/zinc/46/13/68/1128461368.db2.gz MTYQLXHPZIRNCM-AWEZNQCLSA-N 1 1 268.360 3.800 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC000934469023 1128461371 /nfs/dbraw/zinc/46/13/71/1128461371.db2.gz MTYQLXHPZIRNCM-AWEZNQCLSA-N 1 1 268.360 3.800 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000917010095 1128467831 /nfs/dbraw/zinc/46/78/31/1128467831.db2.gz PLYPPSNYJAIZLS-HNNXBMFYSA-N 1 1 273.424 3.722 20 30 CHEDMO C=CC[N@H+](CCOc1cccc(Cl)c1)C(C)C ZINC000917070546 1128475689 /nfs/dbraw/zinc/47/56/89/1128475689.db2.gz DYULMDYZCMLYFT-UHFFFAOYSA-N 1 1 253.773 3.615 20 30 CHEDMO CC[N@@H+](Cc1csc2ccccc12)C[C@@H](C)C#N ZINC000066424647 1128474151 /nfs/dbraw/zinc/47/41/51/1128474151.db2.gz VDMHRJRLCAMACZ-LBPRGKRZSA-N 1 1 258.390 3.883 20 30 CHEDMO CC[N@H+](Cc1csc2ccccc12)C[C@@H](C)C#N ZINC000066424647 1128474152 /nfs/dbraw/zinc/47/41/52/1128474152.db2.gz VDMHRJRLCAMACZ-LBPRGKRZSA-N 1 1 258.390 3.883 20 30 CHEDMO C=CC[N@H+](CCOc1ccc(OCCC)cc1)C(C)C ZINC000917070868 1128475505 /nfs/dbraw/zinc/47/55/05/1128475505.db2.gz ILWCUGALXLRVGW-UHFFFAOYSA-N 1 1 277.408 3.751 20 30 CHEDMO C[C@@H](c1ccco1)[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000127752463 1128482382 /nfs/dbraw/zinc/48/23/82/1128482382.db2.gz KOITVQQAYDBUSB-AWEZNQCLSA-N 1 1 283.346 3.996 20 30 CHEDMO C[C@@H](c1ccco1)[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000127752463 1128482383 /nfs/dbraw/zinc/48/23/83/1128482383.db2.gz KOITVQQAYDBUSB-AWEZNQCLSA-N 1 1 283.346 3.996 20 30 CHEDMO C=CC[N@@H+](Cc1cc(F)cc2cccnc21)C(C)C ZINC000917167909 1128489363 /nfs/dbraw/zinc/48/93/63/1128489363.db2.gz HNRAPIPGIACKSN-UHFFFAOYSA-N 1 1 258.340 3.770 20 30 CHEDMO C=CCCCC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000565462224 1128527023 /nfs/dbraw/zinc/52/70/23/1128527023.db2.gz AQKZGMDGSMWEAJ-HNNXBMFYSA-N 1 1 284.407 3.616 20 30 CHEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154650760 1128536578 /nfs/dbraw/zinc/53/65/78/1128536578.db2.gz UQSACDMTOULGDX-IAGOWNOFSA-N 1 1 294.483 3.680 20 30 CHEDMO C=CCOCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000567295147 1128562529 /nfs/dbraw/zinc/56/25/29/1128562529.db2.gz VSKICQCUZHJNAW-HXUWFJFHSA-N 1 1 293.410 3.837 20 30 CHEDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000567403380 1128564003 /nfs/dbraw/zinc/56/40/03/1128564003.db2.gz NHLPGUGXNZCWOK-MAUKXSAKSA-N 1 1 291.398 3.812 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(Cl)c1 ZINC000049800733 1128568074 /nfs/dbraw/zinc/56/80/74/1128568074.db2.gz PKHHIRXPOWLBHL-UHFFFAOYSA-N 1 1 250.773 3.712 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(Cl)c1 ZINC000049800733 1128568077 /nfs/dbraw/zinc/56/80/77/1128568077.db2.gz PKHHIRXPOWLBHL-UHFFFAOYSA-N 1 1 250.773 3.712 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC000049800722 1128568160 /nfs/dbraw/zinc/56/81/60/1128568160.db2.gz UFXBLJPNZXIXMW-UHFFFAOYSA-N 1 1 250.773 3.712 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC000049800722 1128568164 /nfs/dbraw/zinc/56/81/64/1128568164.db2.gz UFXBLJPNZXIXMW-UHFFFAOYSA-N 1 1 250.773 3.712 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)C(C)C ZINC000918739242 1128569268 /nfs/dbraw/zinc/56/92/68/1128569268.db2.gz HAVRFRPTVPRYSG-UHFFFAOYSA-N 1 1 255.308 3.684 20 30 CHEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)Cc2ccccc21 ZINC000918734880 1128569390 /nfs/dbraw/zinc/56/93/90/1128569390.db2.gz GEWBIKCXJQLKCC-OAHLLOKOSA-N 1 1 292.382 3.556 20 30 CHEDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC[C@H](C#N)C1 ZINC000568419695 1128584507 /nfs/dbraw/zinc/58/45/07/1128584507.db2.gz JTHHPERLVFESHH-KSSFIOAISA-N 1 1 264.372 3.964 20 30 CHEDMO C=CC[N@H+](CCc1ccncc1C)Cc1ccc(OC)cc1 ZINC000568994776 1128596303 /nfs/dbraw/zinc/59/63/03/1128596303.db2.gz HDZGLXMQBHTWSO-UHFFFAOYSA-N 1 1 296.414 3.629 20 30 CHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000570222506 1128618333 /nfs/dbraw/zinc/61/83/33/1128618333.db2.gz BLYRFFKNOJESTP-KXBFYZLASA-N 1 1 291.398 3.926 20 30 CHEDMO C=C(Br)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000919647825 1128618718 /nfs/dbraw/zinc/61/87/18/1128618718.db2.gz TWQTXMNVVKCUOM-WCFLWFBJSA-N 1 1 272.230 3.796 20 30 CHEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CCC(C)(C)C#N)cc1 ZINC000131598289 1128628869 /nfs/dbraw/zinc/62/88/69/1128628869.db2.gz JBELHOMMRDMODV-QGZVFWFLSA-N 1 1 270.420 3.942 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1ccsc1 ZINC000570643311 1128629009 /nfs/dbraw/zinc/62/90/09/1128629009.db2.gz SQXMBAWIALLFQO-CYBMUJFWSA-N 1 1 285.416 3.986 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000572787713 1128647788 /nfs/dbraw/zinc/64/77/88/1128647788.db2.gz SDEKGIGSAGDMRP-CQSZACIVSA-N 1 1 279.449 3.825 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000045796762 1128652063 /nfs/dbraw/zinc/65/20/63/1128652063.db2.gz LTWDUIPCMLJZIL-UHFFFAOYSA-N 1 1 282.343 3.783 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000045796762 1128652066 /nfs/dbraw/zinc/65/20/66/1128652066.db2.gz LTWDUIPCMLJZIL-UHFFFAOYSA-N 1 1 282.343 3.783 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000930118338 1128665516 /nfs/dbraw/zinc/66/55/16/1128665516.db2.gz DAEFZKXYSSOLEG-HNNXBMFYSA-N 1 1 279.387 3.763 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)CCc1cccs1 ZINC000778996360 1128675591 /nfs/dbraw/zinc/67/55/91/1128675591.db2.gz MJTYPIRPYKCNKK-UHFFFAOYSA-N 1 1 261.390 3.614 20 30 CHEDMO Cc1ccc(C)c(Nc2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC001212250045 1128686908 /nfs/dbraw/zinc/68/69/08/1128686908.db2.gz ZWCSPRJOOZIZAK-UHFFFAOYSA-N 1 1 263.344 3.997 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001258044675 1128686983 /nfs/dbraw/zinc/68/69/83/1128686983.db2.gz SMYXFORYKHARRI-UONOGXRCSA-N 1 1 295.389 3.982 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000779031150 1128689558 /nfs/dbraw/zinc/68/95/58/1128689558.db2.gz DVAYJNZNECFYKS-NSHDSACASA-N 1 1 290.716 3.820 20 30 CHEDMO Cc1cn2cc(Nc3ccc(C4(C#N)CC4)cc3)ccc2[nH+]1 ZINC001212251600 1128698016 /nfs/dbraw/zinc/69/80/16/1128698016.db2.gz LQFQXFBJUGIECI-UHFFFAOYSA-N 1 1 288.354 3.942 20 30 CHEDMO CCCCCCCCCCC[C@H](C)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001258051224 1128698426 /nfs/dbraw/zinc/69/84/26/1128698426.db2.gz CNRABSCTLRAWEN-RCCFBDPRSA-N 1 1 299.499 3.581 20 30 CHEDMO C=CCC[C@H](C)[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000578939427 1128733874 /nfs/dbraw/zinc/73/38/74/1128733874.db2.gz ASVBQAJRLGDEAU-UONOGXRCSA-N 1 1 285.391 3.666 20 30 CHEDMO CCC[C@@H](C)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213535 1117762907 /nfs/dbraw/zinc/76/29/07/1117762907.db2.gz WGCGGSFUONMESD-CQSZACIVSA-N 1 1 256.393 3.547 20 30 CHEDMO C=CCOc1cccc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000579734082 1117768574 /nfs/dbraw/zinc/76/85/74/1117768574.db2.gz SSPFVORYFREYTN-LBPRGKRZSA-N 1 1 274.389 3.559 20 30 CHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000610001885 1128734452 /nfs/dbraw/zinc/73/44/52/1128734452.db2.gz KDYKQDKKEUMDDF-WMLDXEAASA-N 1 1 256.393 3.959 20 30 CHEDMO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000610003682 1128734598 /nfs/dbraw/zinc/73/45/98/1128734598.db2.gz GVPJFIAYOYFEEI-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO 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/nfs/dbraw/zinc/51/21/65/1119512165.db2.gz LWAQTJSHNAGHMS-GOSISDBHSA-N 1 1 279.387 3.731 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000628405239 1128855452 /nfs/dbraw/zinc/85/54/52/1128855452.db2.gz HKAGGLOPFURKAR-HNNXBMFYSA-N 1 1 295.386 3.667 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc3cnccc3o2)CC1 ZINC000657875652 1119589202 /nfs/dbraw/zinc/58/92/02/1119589202.db2.gz NOCRNSJDEATPRR-CQSZACIVSA-N 1 1 299.418 3.519 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000628405801 1128856794 /nfs/dbraw/zinc/85/67/94/1128856794.db2.gz VBEQGBLVFAOMMU-AWEZNQCLSA-N 1 1 252.361 3.633 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H]1CCc2ccccc21 ZINC000685426483 1119605965 /nfs/dbraw/zinc/60/59/65/1119605965.db2.gz KXIGXAIPGPHROY-GOSISDBHSA-N 1 1 267.372 3.998 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCC(C)(C)C1 ZINC000708572597 1119617348 /nfs/dbraw/zinc/61/73/48/1119617348.db2.gz CRZPNDPOZDQFBV-MRXNPFEDSA-N 1 1 256.393 3.959 20 30 CHEDMO Cc1cc(N2CCC[C@@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000612107589 1119698692 /nfs/dbraw/zinc/69/86/92/1119698692.db2.gz HICNVJVFLWZVGY-KRWDZBQOSA-N 1 1 265.360 3.673 20 30 CHEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(C#N)C2)c(C)c1 ZINC000612163039 1119738163 /nfs/dbraw/zinc/73/81/63/1119738163.db2.gz NLAKXFOIYQCFMN-KRWDZBQOSA-N 1 1 256.393 3.738 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000612160545 1119738302 /nfs/dbraw/zinc/73/83/02/1119738302.db2.gz JHROLGUWGPTOCL-IBGZPJMESA-N 1 1 294.398 3.844 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000612160545 1119738305 /nfs/dbraw/zinc/73/83/05/1119738305.db2.gz JHROLGUWGPTOCL-IBGZPJMESA-N 1 1 294.398 3.844 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CCCSCc2ccccc2)C1 ZINC000612162709 1119739401 /nfs/dbraw/zinc/73/94/01/1119739401.db2.gz LXRQWPQDRKTURM-KRWDZBQOSA-N 1 1 288.460 3.936 20 30 CHEDMO CC(C)(C[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612406123 1119783252 /nfs/dbraw/zinc/78/32/52/1119783252.db2.gz IPKWSCSKXLWBBC-QGZVFWFLSA-N 1 1 256.393 3.590 20 30 CHEDMO Cc1cc2cc(C[NH2+]CC(C)(C)C#N)oc2cc1C ZINC000612585869 1119802187 /nfs/dbraw/zinc/80/21/87/1119802187.db2.gz VAMUKYHJILQWDM-UHFFFAOYSA-N 1 1 256.349 3.689 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000661379334 1119857534 /nfs/dbraw/zinc/85/75/34/1119857534.db2.gz BSMKEOYDHINLMK-MRXNPFEDSA-N 1 1 286.419 3.530 20 30 CHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000613502785 1119944849 /nfs/dbraw/zinc/94/48/49/1119944849.db2.gz AVSFPLIBQJGEGV-LJQANCHMSA-N 1 1 291.398 3.550 20 30 CHEDMO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)C#N ZINC000580097909 1119995774 /nfs/dbraw/zinc/99/57/74/1119995774.db2.gz LIOWXXALRRDVCV-VNKGSWCUSA-N 1 1 282.309 3.858 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343833793 1120012944 /nfs/dbraw/zinc/01/29/44/1120012944.db2.gz CLLGQAJJGODMTL-UHFFFAOYSA-N 1 1 281.783 3.509 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000186314285 1120023980 /nfs/dbraw/zinc/02/39/80/1120023980.db2.gz NTQZJPAFYPAUAA-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO N#Cc1c(Cl)ccc(Nc2ccc[nH+]c2N)c1Cl ZINC001212408571 1120076829 /nfs/dbraw/zinc/07/68/29/1120076829.db2.gz HSUCLQRKDAILSV-UHFFFAOYSA-N 1 1 279.130 3.586 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)s1 ZINC000414544893 1120106437 /nfs/dbraw/zinc/10/64/37/1120106437.db2.gz FRRVUJRAIHDBIU-HNNXBMFYSA-N 1 1 298.411 3.663 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(F)c1C#N ZINC000301094010 1120130366 /nfs/dbraw/zinc/13/03/66/1120130366.db2.gz LTDXPMHHKOMSDB-CQSZACIVSA-N 1 1 289.398 3.764 20 30 CHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)c(Cl)c1 ZINC000301472707 1120138600 /nfs/dbraw/zinc/13/86/00/1120138600.db2.gz UPZMFUNDSAVGNO-AWEZNQCLSA-N 1 1 291.826 3.522 20 30 CHEDMO CC(C)C[N@H+]1CC[C@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000301610608 1120142494 /nfs/dbraw/zinc/14/24/94/1120142494.db2.gz QQZNMZWUELCHCR-CYBMUJFWSA-N 1 1 291.826 3.601 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cccc(F)c1OC(F)F ZINC000659838024 1120151558 /nfs/dbraw/zinc/15/15/58/1120151558.db2.gz JFYQBIIBXJUCFP-UHFFFAOYSA-N 1 1 271.282 3.601 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000472744478 1120158368 /nfs/dbraw/zinc/15/83/68/1120158368.db2.gz CATLAAMKRHXEFC-GFCCVEGCSA-N 1 1 288.218 3.752 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000472750924 1120160559 /nfs/dbraw/zinc/16/05/59/1120160559.db2.gz LSCDCHIAZVBHPS-IEBWSBKVSA-N 1 1 285.431 3.856 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000472754968 1120161400 /nfs/dbraw/zinc/16/14/00/1120161400.db2.gz STKPEJVPRCZLAY-HZPDHXFCSA-N 1 1 293.838 3.674 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000472760665 1120163883 /nfs/dbraw/zinc/16/38/83/1120163883.db2.gz ZGNSONZYTTXZOH-SJLPKXTDSA-N 1 1 273.420 3.713 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000472778825 1120172925 /nfs/dbraw/zinc/17/29/25/1120172925.db2.gz OLOPBPYKJRIZDS-DOTOQJQBSA-N 1 1 261.409 3.614 20 30 CHEDMO N#Cc1cc(C[NH2+]C2(c3ccccc3F)CC2)cs1 ZINC000921757511 1120199958 /nfs/dbraw/zinc/19/99/58/1120199958.db2.gz REOIHOXMUQEKOX-UHFFFAOYSA-N 1 1 272.348 3.538 20 30 CHEDMO N#CCCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177716863 1120221094 /nfs/dbraw/zinc/22/10/94/1120221094.db2.gz LCXKBDYCCFJRSW-UHFFFAOYSA-N 1 1 266.344 3.608 20 30 CHEDMO CCC[N@@H+](CCCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000354462086 1120235807 /nfs/dbraw/zinc/23/58/07/1120235807.db2.gz RJOSHKXURGMECW-CVEARBPZSA-N 1 1 278.440 3.740 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CC12CCC2 ZINC000341150781 1120239693 /nfs/dbraw/zinc/23/96/93/1120239693.db2.gz XWKLDBUFTNFYDV-CYBMUJFWSA-N 1 1 272.367 3.709 20 30 CHEDMO CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)[C@H]1[C@@H]1CCCO1 ZINC000930508045 1120245343 /nfs/dbraw/zinc/24/53/43/1120245343.db2.gz MAMKTRHKGLAKQP-HOTGVXAUSA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763652 1128902736 /nfs/dbraw/zinc/90/27/36/1128902736.db2.gz ARQXOPVLXQKVPP-YOEHRIQHSA-N 1 1 287.451 3.575 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)OCC1(C)C ZINC000618281994 1128903520 /nfs/dbraw/zinc/90/35/20/1128903520.db2.gz IDSRSMWJOVQWKJ-UHFFFAOYSA-N 1 1 266.429 3.596 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000076070292 1120275734 /nfs/dbraw/zinc/27/57/34/1120275734.db2.gz UHOKBXOYOOGRQS-CVEARBPZSA-N 1 1 274.433 3.664 20 30 CHEDMO Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cnc1F ZINC000893194038 1120294911 /nfs/dbraw/zinc/29/49/11/1120294911.db2.gz CGRPXNGJNSQLIB-INIZCTEOSA-N 1 1 283.350 3.664 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1[C@H](C)[N@@H+](C)C[C@H]2C ZINC000416392394 1120324304 /nfs/dbraw/zinc/32/43/04/1120324304.db2.gz SGVZJWHENSMCOY-PWSUYJOCSA-N 1 1 265.360 3.525 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1[C@H](C)[N@H+](C)C[C@H]2C ZINC000416392394 1120324308 /nfs/dbraw/zinc/32/43/08/1120324308.db2.gz SGVZJWHENSMCOY-PWSUYJOCSA-N 1 1 265.360 3.525 20 30 CHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000363830504 1120326656 /nfs/dbraw/zinc/32/66/56/1120326656.db2.gz UVMMUXJHPGVVGE-HOCLYGCPSA-N 1 1 271.408 3.794 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2cnccc21 ZINC000183262363 1120338879 /nfs/dbraw/zinc/33/88/79/1120338879.db2.gz WNZOYVGRGUCOTM-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc2cnccc21 ZINC000183262138 1120338988 /nfs/dbraw/zinc/33/89/88/1120338988.db2.gz SWGWMXFXKQIMOE-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO CC(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)N1CCCCCC1 ZINC000236680718 1120342219 /nfs/dbraw/zinc/34/22/19/1120342219.db2.gz DIGLRGFZFCIUPF-IBGZPJMESA-N 1 1 299.462 3.548 20 30 CHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543140243 1120441809 /nfs/dbraw/zinc/44/18/09/1120441809.db2.gz QKCQDGFAGBSLEE-HUUCEWRRSA-N 1 1 256.393 3.621 20 30 CHEDMO C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000314917606 1120445262 /nfs/dbraw/zinc/44/52/62/1120445262.db2.gz MQZULGGJAKFLCX-MDZRGWNJSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000079823620 1120448316 /nfs/dbraw/zinc/44/83/16/1120448316.db2.gz IFZIFKFTAGYJFY-CQSZACIVSA-N 1 1 275.783 3.605 20 30 CHEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000079823620 1120448318 /nfs/dbraw/zinc/44/83/18/1120448318.db2.gz IFZIFKFTAGYJFY-CQSZACIVSA-N 1 1 275.783 3.605 20 30 CHEDMO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc2ccccc21 ZINC000930867381 1120455338 /nfs/dbraw/zinc/45/53/38/1120455338.db2.gz IJZSHWVJVHUMIK-NSHDSACASA-N 1 1 258.752 3.885 20 30 CHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000618550670 1128917496 /nfs/dbraw/zinc/91/74/96/1128917496.db2.gz VAVZIRVSZDXKHD-GOSISDBHSA-N 1 1 286.419 3.648 20 30 CHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC2(CCCCC2)O1 ZINC000930893659 1120470071 /nfs/dbraw/zinc/47/00/71/1120470071.db2.gz HMIZJYUSMHHCGO-GTPINHCMSA-N 1 1 290.451 3.740 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000154161993 1120491483 /nfs/dbraw/zinc/49/14/83/1120491483.db2.gz KRTCTEOFVUAOFI-UHFFFAOYSA-N 1 1 274.751 3.827 20 30 CHEDMO Cc1cc[nH+]c(NCc2ccc(F)c(C#N)c2Cl)c1 ZINC000428859567 1120540434 /nfs/dbraw/zinc/54/04/34/1120540434.db2.gz CQVDOTPHURGMJH-UHFFFAOYSA-N 1 1 275.714 3.666 20 30 CHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000276222322 1120550946 /nfs/dbraw/zinc/55/09/46/1120550946.db2.gz JCPHQOIVPWJOQW-CYBMUJFWSA-N 1 1 282.309 3.721 20 30 CHEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000019804683 1120568884 /nfs/dbraw/zinc/56/88/84/1120568884.db2.gz SLTQTAAANNCIEQ-UHFFFAOYSA-N 1 1 264.372 3.969 20 30 CHEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000155076855 1120570776 /nfs/dbraw/zinc/57/07/76/1120570776.db2.gz NHRRKWOOXVEEOD-OAHLLOKOSA-N 1 1 268.385 3.609 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)ccc1F ZINC000155400519 1120584183 /nfs/dbraw/zinc/58/41/83/1120584183.db2.gz NQVCVQYACDGAGD-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)ccc1F ZINC000155400519 1120584188 /nfs/dbraw/zinc/58/41/88/1120584188.db2.gz NQVCVQYACDGAGD-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO N#Cc1cccc(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000555470064 1120603613 /nfs/dbraw/zinc/60/36/13/1120603613.db2.gz URDSSBGBUMLFEC-SFHVURJKSA-N 1 1 294.423 3.925 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168735741 1120604886 /nfs/dbraw/zinc/60/48/86/1120604886.db2.gz TYFOSYIJOCURLW-INIZCTEOSA-N 1 1 296.801 3.811 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(C)nc(C)n1 ZINC000660447180 1120616512 /nfs/dbraw/zinc/61/65/12/1120616512.db2.gz PQSRROPJYDGKRN-UHFFFAOYSA-N 1 1 281.403 3.672 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(C)nc(C)n1 ZINC000660447180 1120616515 /nfs/dbraw/zinc/61/65/15/1120616515.db2.gz PQSRROPJYDGKRN-UHFFFAOYSA-N 1 1 281.403 3.672 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511843601 1120660348 /nfs/dbraw/zinc/66/03/48/1120660348.db2.gz KFDUMPMCJTUIIF-MANSERQUSA-N 1 1 285.431 3.582 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708196 1120680335 /nfs/dbraw/zinc/68/03/35/1120680335.db2.gz NHQSFPQMFWAHPR-JTQLQIEISA-N 1 1 263.772 3.785 20 30 CHEDMO C=CCC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708196 1120680339 /nfs/dbraw/zinc/68/03/39/1120680339.db2.gz NHQSFPQMFWAHPR-JTQLQIEISA-N 1 1 263.772 3.785 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708196 1120680345 /nfs/dbraw/zinc/68/03/45/1120680345.db2.gz NHQSFPQMFWAHPR-JTQLQIEISA-N 1 1 263.772 3.785 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162863549 1120694825 /nfs/dbraw/zinc/69/48/25/1120694825.db2.gz JTOFCYRBMUBWKQ-CQSZACIVSA-N 1 1 262.784 3.976 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093090652 1120696101 /nfs/dbraw/zinc/69/61/01/1120696101.db2.gz LTDIFJQTUZXYSX-AWEZNQCLSA-N 1 1 280.371 3.793 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093090652 1120696104 /nfs/dbraw/zinc/69/61/04/1120696104.db2.gz LTDIFJQTUZXYSX-AWEZNQCLSA-N 1 1 280.371 3.793 20 30 CHEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000162935890 1120697023 /nfs/dbraw/zinc/69/70/23/1120697023.db2.gz QOXWJRFHHIGNME-QWRGUYRKSA-N 1 1 280.824 3.537 20 30 CHEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000162935890 1120697028 /nfs/dbraw/zinc/69/70/28/1120697028.db2.gz QOXWJRFHHIGNME-QWRGUYRKSA-N 1 1 280.824 3.537 20 30 CHEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CCCC)CC2)C1 ZINC000651689426 1120711740 /nfs/dbraw/zinc/71/17/40/1120711740.db2.gz UIHSQPWBNZIVJO-WBVHZDCISA-N 1 1 264.457 3.585 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC000661117885 1120720843 /nfs/dbraw/zinc/72/08/43/1120720843.db2.gz UXOGBCWMCSWORE-ZIAGYGMSSA-N 1 1 277.412 3.637 20 30 CHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(CCCC)n1 ZINC000661117883 1120721140 /nfs/dbraw/zinc/72/11/40/1120721140.db2.gz UXOGBCWMCSWORE-KGLIPLIRSA-N 1 1 277.412 3.637 20 30 CHEDMO CC(C)[N@H+](CC#Cc1ccccc1Cl)Cc1cccnc1 ZINC000093225933 1120735255 /nfs/dbraw/zinc/73/52/55/1120735255.db2.gz YOAAKPNUWIPVQQ-UHFFFAOYSA-N 1 1 298.817 3.997 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1ccccc1Cl)Cc1cccnc1 ZINC000093225933 1120735260 /nfs/dbraw/zinc/73/52/60/1120735260.db2.gz YOAAKPNUWIPVQQ-UHFFFAOYSA-N 1 1 298.817 3.997 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000661384980 1120759786 /nfs/dbraw/zinc/75/97/86/1120759786.db2.gz MPEWGVREGTYIQM-INIZCTEOSA-N 1 1 293.414 3.932 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000661384079 1120760348 /nfs/dbraw/zinc/76/03/48/1120760348.db2.gz GPRDPEHYGPLDEM-IAGOWNOFSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C ZINC000661756580 1120808805 /nfs/dbraw/zinc/80/88/05/1120808805.db2.gz RCRRZNIUNIRIRE-UHFFFAOYSA-N 1 1 288.435 3.837 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC001143518933 1120833768 /nfs/dbraw/zinc/83/37/68/1120833768.db2.gz BYFQQYNPHCMDPF-LBPRGKRZSA-N 1 1 297.320 3.559 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC001143518933 1120833771 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CC[N@@H+](Cc1oc(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000618904190 1128952280 /nfs/dbraw/zinc/95/22/80/1128952280.db2.gz WVJWJZNAJKYDPE-ZDUSSCGKSA-N 1 1 283.375 3.746 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191773355 1128952698 /nfs/dbraw/zinc/95/26/98/1128952698.db2.gz NMYKMZRXVKJQRA-JTQLQIEISA-N 1 1 293.208 3.551 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)C(C)(C)C ZINC000661755699 1120973230 /nfs/dbraw/zinc/97/32/30/1120973230.db2.gz OUSZHUWLSOTCGV-UHFFFAOYSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@H]1c2sccc2CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931695915 1120975047 /nfs/dbraw/zinc/97/50/47/1120975047.db2.gz WWGWELOBUXEYEX-HSBZDZAISA-N 1 1 274.433 3.997 20 30 CHEDMO CCCCCCCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000105409266 1120975234 /nfs/dbraw/zinc/97/52/34/1120975234.db2.gz MYLLUOZBQRXUMJ-HOTGVXAUSA-N 1 1 282.472 3.584 20 30 CHEDMO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000390780512 1120978851 /nfs/dbraw/zinc/97/88/51/1120978851.db2.gz 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Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)[nH]c2c1 ZINC000344098318 1121081716 /nfs/dbraw/zinc/08/17/16/1121081716.db2.gz JHQHGVUTBAZBJD-ZDUSSCGKSA-N 1 1 290.370 3.594 20 30 CHEDMO C[NH+](C)Cc1c(F)cc(N[C@H]2CC[C@H](C#N)CC2)cc1F ZINC001167845366 1121086729 /nfs/dbraw/zinc/08/67/29/1121086729.db2.gz KNOVHOSMYAIMHK-HAQNSBGRSA-N 1 1 293.361 3.521 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000093533591 1128963196 /nfs/dbraw/zinc/96/31/96/1128963196.db2.gz RTZNJQIANCLQKL-UHFFFAOYSA-N 1 1 283.799 3.755 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000076068206 1121143893 /nfs/dbraw/zinc/14/38/93/1121143893.db2.gz ZLWIODONMJJDNJ-JKSUJKDBSA-N 1 1 274.433 3.664 20 30 CHEDMO N#CCc1cccc2c1CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC001175062066 1121146238 /nfs/dbraw/zinc/14/62/38/1121146238.db2.gz MRISMMQXYMZAFL-APWZRJJASA-N 1 1 280.415 3.547 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(C)cc1 ZINC001175034846 1121153175 /nfs/dbraw/zinc/15/31/75/1121153175.db2.gz DGPQEHRFNBZJMZ-RBUKOAKNSA-N 1 1 287.447 3.719 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)cc1C#N ZINC001139722722 1121161869 /nfs/dbraw/zinc/16/18/69/1121161869.db2.gz FPNQRTZOPQZWEJ-UKRRQHHQSA-N 1 1 256.393 3.735 20 30 CHEDMO C=C(C)CC[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC001175088950 1121179920 /nfs/dbraw/zinc/17/99/20/1121179920.db2.gz WMBVBAUPULJKCG-CRAIPNDOSA-N 1 1 273.420 3.977 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000337139693 1121193205 /nfs/dbraw/zinc/19/32/05/1121193205.db2.gz SLDSFHVMYQWBJW-UHFFFAOYSA-N 1 1 286.419 3.527 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)cccc1C ZINC000512219892 1121206677 /nfs/dbraw/zinc/20/66/77/1121206677.db2.gz PXMAPEDDBCGKDA-UHFFFAOYSA-N 1 1 299.414 3.967 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)ccc1C ZINC000512225672 1121210791 /nfs/dbraw/zinc/21/07/91/1121210791.db2.gz FWVQVCNMVULTBO-UHFFFAOYSA-N 1 1 299.414 3.967 20 30 CHEDMO N#C[C@H]1CCC[C@H](Nc2cccc3cc[nH+]cc32)C1 ZINC000618574044 1121221722 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ZINC000246429668 1121298222 /nfs/dbraw/zinc/29/82/22/1121298222.db2.gz SVQGLPGRKNJIGP-XJKSGUPXSA-N 1 1 297.427 3.955 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000704311013 1121333687 /nfs/dbraw/zinc/33/36/87/1121333687.db2.gz SUSIKADGCGRSGC-UHFFFAOYSA-N 1 1 255.692 3.609 20 30 CHEDMO N#C[C@H]1CCC[N@H+](CCCSCc2ccccc2)C1 ZINC000932152619 1121359492 /nfs/dbraw/zinc/35/94/92/1121359492.db2.gz KPKNGJPNBBDTAH-MRXNPFEDSA-N 1 1 274.433 3.545 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](CCCSCc2ccccc2)C1 ZINC000932152619 1121359500 /nfs/dbraw/zinc/35/95/00/1121359500.db2.gz KPKNGJPNBBDTAH-MRXNPFEDSA-N 1 1 274.433 3.545 20 30 CHEDMO CCc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000419019764 1121369959 /nfs/dbraw/zinc/36/99/59/1121369959.db2.gz VXRCJLODBLPDAN-KRWDZBQOSA-N 1 1 292.386 3.709 20 30 CHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000617338958 1121397776 /nfs/dbraw/zinc/39/77/76/1121397776.db2.gz BPRQCSIFOQOQDT-OAHLLOKOSA-N 1 1 292.467 3.502 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](C)CC ZINC000512506726 1121403729 /nfs/dbraw/zinc/40/37/29/1121403729.db2.gz PDTPVKPSIIHYIE-OAHLLOKOSA-N 1 1 263.429 3.888 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1NCCC2 ZINC000893930769 1121441577 /nfs/dbraw/zinc/44/15/77/1121441577.db2.gz HHCFRHLZBBAMSG-UHFFFAOYSA-N 1 1 291.398 3.548 20 30 CHEDMO Cc1cscc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175765704 1121458591 /nfs/dbraw/zinc/45/85/91/1121458591.db2.gz JKXHSIZZPPESNL-UHFFFAOYSA-N 1 1 289.429 3.721 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000432919529 1121481216 /nfs/dbraw/zinc/48/12/16/1121481216.db2.gz UKQKNGLCVVUECB-QMMMGPOBSA-N 1 1 262.300 3.549 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000509263407 1121492120 /nfs/dbraw/zinc/49/21/20/1121492120.db2.gz LRTCNBVWWRUPLT-UHFFFAOYSA-N 1 1 265.422 3.815 20 30 CHEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCS1 ZINC000614168817 1121499888 /nfs/dbraw/zinc/49/98/88/1121499888.db2.gz WCCAYXSHBDEFKE-INIZCTEOSA-N 1 1 288.460 3.815 20 30 CHEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167307 1121500460 /nfs/dbraw/zinc/50/04/60/1121500460.db2.gz LSFRTVIREFYWJU-UHFFFAOYSA-N 1 1 299.443 3.885 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614176743 1121507164 /nfs/dbraw/zinc/50/71/64/1121507164.db2.gz ALIFNCJZRDLGHD-HUUCEWRRSA-N 1 1 270.420 3.966 20 30 CHEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176740 1121507242 /nfs/dbraw/zinc/50/72/42/1121507242.db2.gz AJUYOHPEJLZNJD-UHFFFAOYSA-N 1 1 293.414 3.905 20 30 CHEDMO C#Cc1cccc(Nc2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC001175974864 1121509637 /nfs/dbraw/zinc/50/96/37/1121509637.db2.gz DRELOAWPPGKOGV-UHFFFAOYSA-N 1 1 287.366 3.965 20 30 CHEDMO C[N@@H+](CCSCc1cccc(C#N)c1)Cc1ccccc1 ZINC000433020531 1121519842 /nfs/dbraw/zinc/51/98/42/1121519842.db2.gz SQTNCDLFDJSUQK-UHFFFAOYSA-N 1 1 296.439 3.923 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1cnc(C)cn1 ZINC000411135961 1121522253 /nfs/dbraw/zinc/52/22/53/1121522253.db2.gz RRCCSNHSIGJTNM-HNNXBMFYSA-N 1 1 267.376 3.534 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cnc(C)cn1 ZINC000411135961 1121522260 /nfs/dbraw/zinc/52/22/60/1121522260.db2.gz RRCCSNHSIGJTNM-HNNXBMFYSA-N 1 1 267.376 3.534 20 30 CHEDMO C[C@@H](C#N)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000543623294 1121530439 /nfs/dbraw/zinc/53/04/39/1121530439.db2.gz DNAIDBUANSETFZ-NSHDSACASA-N 1 1 290.313 3.690 20 30 CHEDMO C#CCCCCCC[N@H+](C)[C@H](CO)c1ccccc1C ZINC001176176548 1121562761 /nfs/dbraw/zinc/56/27/61/1121562761.db2.gz QQYDGIVDCZXJBC-GOSISDBHSA-N 1 1 273.420 3.544 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000429401018 1121564208 /nfs/dbraw/zinc/56/42/08/1121564208.db2.gz FFOCKXIAHYHLPF-CVEARBPZSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CCCC[C@H](C)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429401018 1121564214 /nfs/dbraw/zinc/56/42/14/1121564214.db2.gz FFOCKXIAHYHLPF-CVEARBPZSA-N 1 1 264.457 3.537 20 30 CHEDMO C=CCCC[C@H](C)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429401018 1121564217 /nfs/dbraw/zinc/56/42/17/1121564217.db2.gz FFOCKXIAHYHLPF-CVEARBPZSA-N 1 1 264.457 3.537 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000509392885 1121567674 /nfs/dbraw/zinc/56/76/74/1121567674.db2.gz MELONCMYTPHKPX-UHFFFAOYSA-N 1 1 260.337 3.525 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)C[C@@H](C)CC)cc1OC ZINC000509402495 1121574462 /nfs/dbraw/zinc/57/44/62/1121574462.db2.gz XISNCHBBXCDMAV-AWEZNQCLSA-N 1 1 277.408 3.738 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000619516759 1128995085 /nfs/dbraw/zinc/99/50/85/1128995085.db2.gz RGCMUBVSBBIKJC-UHFFFAOYSA-N 1 1 268.404 3.879 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1nccc2ccccc21 ZINC000611268822 1121634194 /nfs/dbraw/zinc/63/41/94/1121634194.db2.gz QJSNHZVDTCIZFC-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1nccc2ccccc21 ZINC000611268822 1121634196 /nfs/dbraw/zinc/63/41/96/1121634196.db2.gz QJSNHZVDTCIZFC-UHFFFAOYSA-N 1 1 281.403 3.997 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CC(C)C ZINC000611290073 1121635456 /nfs/dbraw/zinc/63/54/56/1121635456.db2.gz OFOWAUXSXMOVCY-OAHLLOKOSA-N 1 1 256.393 3.981 20 30 CHEDMO C=C(C)CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412010318 1121637014 /nfs/dbraw/zinc/63/70/14/1121637014.db2.gz IEHTUPGWULJERX-KRWDZBQOSA-N 1 1 271.404 3.806 20 30 CHEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433289153 1121638551 /nfs/dbraw/zinc/63/85/51/1121638551.db2.gz PAGJVMXXUONDGZ-NSHDSACASA-N 1 1 282.334 3.831 20 30 CHEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433289153 1121638553 /nfs/dbraw/zinc/63/85/53/1121638553.db2.gz PAGJVMXXUONDGZ-NSHDSACASA-N 1 1 282.334 3.831 20 30 CHEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000611352851 1121638780 /nfs/dbraw/zinc/63/87/80/1121638780.db2.gz VRMLONVSVCVJIC-UHFFFAOYSA-N 1 1 276.383 3.852 20 30 CHEDMO CCC(CC)n1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611386036 1121641917 /nfs/dbraw/zinc/64/19/17/1121641917.db2.gz AVNWKVRAIOBUOZ-CQSZACIVSA-N 1 1 296.418 3.967 20 30 CHEDMO CC(C)n1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611393193 1121642257 /nfs/dbraw/zinc/64/22/57/1121642257.db2.gz NQUCQWSSQBQOTG-GOSISDBHSA-N 1 1 294.402 3.503 20 30 CHEDMO N#CCC[C@H]([NH2+]Cc1ccncc1Cl)c1ccccc1 ZINC000611406995 1121644560 /nfs/dbraw/zinc/64/45/60/1121644560.db2.gz RCZQPKDSLADAFY-INIZCTEOSA-N 1 1 285.778 3.870 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](CC(C)(C)c1ccccc1)C1CC1 ZINC000611416362 1121646309 /nfs/dbraw/zinc/64/63/09/1121646309.db2.gz GYZRPMLRYGCVFI-AWEZNQCLSA-N 1 1 256.393 3.588 20 30 CHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCC(C)(C)C#N ZINC000611462629 1121648576 /nfs/dbraw/zinc/64/85/76/1121648576.db2.gz XDJAAZVBIRYONN-INIZCTEOSA-N 1 1 256.393 3.936 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc2n1 ZINC000397628565 1121690832 /nfs/dbraw/zinc/69/08/32/1121690832.db2.gz UWHQTUJQCWSYNU-HNNXBMFYSA-N 1 1 279.387 3.669 20 30 CHEDMO C=CCC[C@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC001176767614 1121693852 /nfs/dbraw/zinc/69/38/52/1121693852.db2.gz OSZBXNWHLOFOIS-KRWDZBQOSA-N 1 1 271.404 3.595 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001176771186 1121694467 /nfs/dbraw/zinc/69/44/67/1121694467.db2.gz HLWNEUSQWAXFQF-AGIUHOORSA-N 1 1 277.330 3.527 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC001176815399 1121695569 /nfs/dbraw/zinc/69/55/69/1121695569.db2.gz VCRHARPBKFPFLW-ZDUSSCGKSA-N 1 1 285.309 3.778 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000397812445 1121697926 /nfs/dbraw/zinc/69/79/26/1121697926.db2.gz IUXWOGRFQWOJGH-OAHLLOKOSA-N 1 1 264.372 3.965 20 30 CHEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](OC(C)C)c1ccccc1 ZINC001176832834 1121697807 /nfs/dbraw/zinc/69/78/07/1121697807.db2.gz KJBODHYUZHEMBG-MSOLQXFVSA-N 1 1 271.404 3.640 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001176939526 1121702145 /nfs/dbraw/zinc/70/21/45/1121702145.db2.gz KHQULWNVXATPKU-KRWDZBQOSA-N 1 1 298.430 3.969 20 30 CHEDMO COc1cc(C[N@H+](Cc2ccc(C)o2)C2CC2)ccc1C#N ZINC000619674196 1129003503 /nfs/dbraw/zinc/00/35/03/1129003503.db2.gz NWXKIQCKJVUSMK-UHFFFAOYSA-N 1 1 296.370 3.633 20 30 CHEDMO COc1cc(C[N@@H+](Cc2ccc(C)o2)C2CC2)ccc1C#N ZINC000619674196 1129003506 /nfs/dbraw/zinc/00/35/06/1129003506.db2.gz NWXKIQCKJVUSMK-UHFFFAOYSA-N 1 1 296.370 3.633 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001176994680 1121705250 /nfs/dbraw/zinc/70/52/50/1121705250.db2.gz BWQXDYQOIPXEET-MRXNPFEDSA-N 1 1 292.467 3.988 20 30 CHEDMO Cc1cc(C)c2c(c1)CC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC001177033306 1121707984 /nfs/dbraw/zinc/70/79/84/1121707984.db2.gz BJTNRFFKNUSOFK-UHFFFAOYSA-N 1 1 293.385 3.852 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001177015703 1121707999 /nfs/dbraw/zinc/70/79/99/1121707999.db2.gz NASSGWRDPRNHEA-LJQANCHMSA-N 1 1 298.430 3.710 20 30 CHEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C1(C)C ZINC000614402365 1121709804 /nfs/dbraw/zinc/70/98/04/1121709804.db2.gz VLAXEZLIKYENCA-FUHWJXTLSA-N 1 1 286.419 3.502 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000614402936 1121711174 /nfs/dbraw/zinc/71/11/74/1121711174.db2.gz ZPECBOVDOYOEGC-QZTJIDSGSA-N 1 1 298.430 3.646 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c(F)c1 ZINC000614408530 1121712476 /nfs/dbraw/zinc/71/24/76/1121712476.db2.gz BQCRAMRAAQUMES-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000015144752 1121722754 /nfs/dbraw/zinc/72/27/54/1121722754.db2.gz INJFUEFPEFTBEC-LBPRGKRZSA-N 1 1 268.385 3.739 20 30 CHEDMO C=CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccncc1 ZINC001177886090 1121755016 /nfs/dbraw/zinc/75/50/16/1121755016.db2.gz XEPMBQLJVYHNIN-AWEZNQCLSA-N 1 1 299.443 3.824 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000729266853 1121768711 /nfs/dbraw/zinc/76/87/11/1121768711.db2.gz OTENXOHVIWNECC-UHFFFAOYSA-N 1 1 294.398 3.783 20 30 CHEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000730062103 1121790162 /nfs/dbraw/zinc/79/01/62/1121790162.db2.gz JBMMNCSRNPNTLT-AWEZNQCLSA-N 1 1 265.784 3.975 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000730062103 1121790170 /nfs/dbraw/zinc/79/01/70/1121790170.db2.gz JBMMNCSRNPNTLT-AWEZNQCLSA-N 1 1 265.784 3.975 20 30 CHEDMO CCCCC[N@@H+](Cc1ccc(OCC#N)cc1)C(C)C ZINC000731211444 1121855177 /nfs/dbraw/zinc/85/51/77/1121855177.db2.gz JTWZFXYOJGCBFK-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2cnccc2o1 ZINC001179430138 1121878033 /nfs/dbraw/zinc/87/80/33/1121878033.db2.gz PUGGTUDJBIEXBD-NSHDSACASA-N 1 1 295.317 3.689 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC001179771754 1121906477 /nfs/dbraw/zinc/90/64/77/1121906477.db2.gz MSADPYGEGZUBHW-GFCCVEGCSA-N 1 1 264.328 3.835 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)CCCOc1cccc2ccccc21 ZINC000345878067 1121926495 /nfs/dbraw/zinc/92/64/95/1121926495.db2.gz ZIACFJVIBCUNGP-HNNXBMFYSA-N 1 1 282.387 3.843 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCCOc1cccc2ccccc21 ZINC000345878067 1121926499 /nfs/dbraw/zinc/92/64/99/1121926499.db2.gz ZIACFJVIBCUNGP-HNNXBMFYSA-N 1 1 282.387 3.843 20 30 CHEDMO C=CC[N@H+](C[C@@H](O)c1cccc(F)c1)CC1CCCCC1 ZINC000732666917 1121930747 /nfs/dbraw/zinc/93/07/47/1121930747.db2.gz GWBSNPBVCXNQPO-GOSISDBHSA-N 1 1 291.410 3.927 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000501209648 1121962651 /nfs/dbraw/zinc/96/26/51/1121962651.db2.gz OPVLDABCWUGMHZ-FRFSOERESA-N 1 1 284.403 3.720 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC000501199555 1121962937 /nfs/dbraw/zinc/96/29/37/1121962937.db2.gz BGOSBRKWJIOBNG-AWEZNQCLSA-N 1 1 272.392 3.579 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CC(C)C ZINC000501208220 1121963695 /nfs/dbraw/zinc/96/36/95/1121963695.db2.gz IWRWNVFBPOSSTL-MRXNPFEDSA-N 1 1 272.392 3.577 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001180305319 1121972218 /nfs/dbraw/zinc/97/22/18/1121972218.db2.gz IWFMSIYFDNSQGF-MRXNPFEDSA-N 1 1 278.346 3.523 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001180305319 1121972220 /nfs/dbraw/zinc/97/22/20/1121972220.db2.gz IWFMSIYFDNSQGF-MRXNPFEDSA-N 1 1 278.346 3.523 20 30 CHEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc(CC3CCC3)c2)C1 ZINC001180318222 1121973165 /nfs/dbraw/zinc/97/31/65/1121973165.db2.gz ZKZCRQYLIZHXSA-IBGZPJMESA-N 1 1 285.431 3.806 20 30 CHEDMO C=CC[N@H+](Cc1[nH]nc(C)c1C)CC1CCCCC1 ZINC001180292923 1121977316 /nfs/dbraw/zinc/97/73/16/1121977316.db2.gz RJOMGPRVJCCDJH-UHFFFAOYSA-N 1 1 261.413 3.595 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000733610170 1122001218 /nfs/dbraw/zinc/00/12/18/1122001218.db2.gz OOZUXKMTMAZJMJ-MNEFBYGVSA-N 1 1 298.430 3.990 20 30 CHEDMO CSc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC001180985237 1122028838 /nfs/dbraw/zinc/02/88/38/1122028838.db2.gz HUTISNSQKQGEAE-UHFFFAOYSA-N 1 1 286.375 3.709 20 30 CHEDMO CCCCCCC[C@H](C)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001181133690 1122038511 /nfs/dbraw/zinc/03/85/11/1122038511.db2.gz XULMPDPVJCCJQK-RDJZCZTQSA-N 1 1 282.472 3.584 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2[nH]nc(C)c2C)CCCC1(C)C ZINC001181296903 1122046241 /nfs/dbraw/zinc/04/62/41/1122046241.db2.gz GGXFOFJTPBNLDA-OAHLLOKOSA-N 1 1 261.413 3.593 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2n[nH]c(C)c2C)CCCC1(C)C ZINC001181296903 1122046246 /nfs/dbraw/zinc/04/62/46/1122046246.db2.gz GGXFOFJTPBNLDA-OAHLLOKOSA-N 1 1 261.413 3.593 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2n[nH]c(C)c2C)CCCC1(C)C ZINC001181296903 1122046252 /nfs/dbraw/zinc/04/62/52/1122046252.db2.gz GGXFOFJTPBNLDA-OAHLLOKOSA-N 1 1 261.413 3.593 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccnn1CC1CC1)Cc1ccccc1 ZINC001181409860 1122055096 /nfs/dbraw/zinc/05/50/96/1122055096.db2.gz GCRKUGNXFIUATE-UHFFFAOYSA-N 1 1 295.430 3.871 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccnn1CC1CC1)Cc1ccccc1 ZINC001181409860 1122055102 /nfs/dbraw/zinc/05/51/02/1122055102.db2.gz GCRKUGNXFIUATE-UHFFFAOYSA-N 1 1 295.430 3.871 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000421384428 1122108106 /nfs/dbraw/zinc/10/81/06/1122108106.db2.gz FAMSHPHPIDNVEA-JTQLQIEISA-N 1 1 288.338 3.784 20 30 CHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000502894983 1122154849 /nfs/dbraw/zinc/15/48/49/1122154849.db2.gz NFDLSROWEONGPP-KRWDZBQOSA-N 1 1 274.383 3.805 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC001182782964 1122189354 /nfs/dbraw/zinc/18/93/54/1122189354.db2.gz RXQKTSHBLFGMPJ-UHFFFAOYSA-N 1 1 276.383 3.733 20 30 CHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@H]1c1ccccc1 ZINC001184036244 1122252261 /nfs/dbraw/zinc/25/22/61/1122252261.db2.gz VKHKXYURIFAJQO-RDJZCZTQSA-N 1 1 282.412 3.855 20 30 CHEDMO CC[N@H+](CCOc1cccc(C(C)(C)C)c1)C[C@H](C)C#N ZINC000504120588 1122286985 /nfs/dbraw/zinc/28/69/85/1122286985.db2.gz DQVNGXQHBWMBJV-OAHLLOKOSA-N 1 1 288.435 3.844 20 30 CHEDMO CC[N@@H+](CCOc1cccc(C(C)(C)C)c1)C[C@H](C)C#N ZINC000504120588 1122286989 /nfs/dbraw/zinc/28/69/89/1122286989.db2.gz DQVNGXQHBWMBJV-OAHLLOKOSA-N 1 1 288.435 3.844 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1C#N ZINC000774813152 1122312098 /nfs/dbraw/zinc/31/20/98/1122312098.db2.gz AEGWKSXHHQHBTI-UHFFFAOYSA-N 1 1 293.414 3.565 20 30 CHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(F)ccc1C#N ZINC001185098125 1122316190 /nfs/dbraw/zinc/31/61/90/1122316190.db2.gz JLWUVQVJAAIPRO-MRXNPFEDSA-N 1 1 289.398 3.764 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2sccc2Cl)c(F)c1 ZINC000193091178 1129053280 /nfs/dbraw/zinc/05/32/80/1129053280.db2.gz KHZFSLSVRQFHET-UHFFFAOYSA-N 1 1 280.755 3.702 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000775179866 1122467720 /nfs/dbraw/zinc/46/77/20/1122467720.db2.gz STTFCSZKGUBJNV-HNNXBMFYSA-N 1 1 295.430 3.623 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000775179866 1122467723 /nfs/dbraw/zinc/46/77/23/1122467723.db2.gz STTFCSZKGUBJNV-HNNXBMFYSA-N 1 1 295.430 3.623 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000775183153 1122470231 /nfs/dbraw/zinc/47/02/31/1122470231.db2.gz JHHAJKXZZKQUPR-NSHDSACASA-N 1 1 275.298 3.678 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515744471 1122530869 /nfs/dbraw/zinc/53/08/69/1122530869.db2.gz JXMGNGZFFOVSQZ-IBGZPJMESA-N 1 1 294.373 3.904 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1CC(C)C1 ZINC001190347738 1122535191 /nfs/dbraw/zinc/53/51/91/1122535191.db2.gz FINZFPIRTFNGLX-UHFFFAOYSA-N 1 1 256.393 3.816 20 30 CHEDMO COc1ccc(CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425535614 1122545062 /nfs/dbraw/zinc/54/50/62/1122545062.db2.gz NQFYTKBVGMPQCP-HNNXBMFYSA-N 1 1 294.398 3.802 20 30 CHEDMO CC[N@@H+](c1ccc(Nc2ccncc2C#N)cc1)C(C)C ZINC000775406384 1122552444 /nfs/dbraw/zinc/55/24/44/1122552444.db2.gz PCALHHNKZBILBM-UHFFFAOYSA-N 1 1 280.375 3.932 20 30 CHEDMO CC[N@H+](c1ccc(Nc2ccncc2C#N)cc1)C(C)C ZINC000775406384 1122552449 /nfs/dbraw/zinc/55/24/49/1122552449.db2.gz PCALHHNKZBILBM-UHFFFAOYSA-N 1 1 280.375 3.932 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](CCCC)Cc1ccccc1F ZINC001190752570 1122554144 /nfs/dbraw/zinc/55/41/44/1122554144.db2.gz LPMQVCFLQOLMAD-INIZCTEOSA-N 1 1 279.399 3.755 20 30 CHEDMO CC[C@@H](C[N@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000505863467 1122571306 /nfs/dbraw/zinc/57/13/06/1122571306.db2.gz DHEMFLXFQNJASD-SFHVURJKSA-N 1 1 293.414 3.991 20 30 CHEDMO CC[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000505863467 1122571310 /nfs/dbraw/zinc/57/13/10/1122571310.db2.gz DHEMFLXFQNJASD-SFHVURJKSA-N 1 1 293.414 3.991 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(C)ccc1OC(F)F ZINC000505872337 1122578911 /nfs/dbraw/zinc/57/89/11/1122578911.db2.gz MFGSPWXMJXBLAI-UHFFFAOYSA-N 1 1 267.319 3.770 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC001191133316 1122579540 /nfs/dbraw/zinc/57/95/40/1122579540.db2.gz PRTSVAWVPINZBY-HNNXBMFYSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001191131817 1122580036 /nfs/dbraw/zinc/58/00/36/1122580036.db2.gz HVQAJXRLELYDIG-UHFFFAOYSA-N 1 1 260.425 3.931 20 30 CHEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C1 ZINC001191330915 1122594212 /nfs/dbraw/zinc/59/42/12/1122594212.db2.gz XAGZRMNPIWZMKF-HZPDHXFCSA-N 1 1 288.460 3.891 20 30 CHEDMO C#CC[N@H+](CC)Cc1ccc(Br)c(Cl)c1 ZINC001191391667 1122595551 /nfs/dbraw/zinc/59/55/51/1122595551.db2.gz YQTIZBSSBXXNPY-UHFFFAOYSA-N 1 1 286.600 3.558 20 30 CHEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001191367621 1122596311 /nfs/dbraw/zinc/59/63/11/1122596311.db2.gz RLQAULONLLWFIX-QGZVFWFLSA-N 1 1 290.451 3.884 20 30 CHEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001191367621 1122596314 /nfs/dbraw/zinc/59/63/14/1122596314.db2.gz RLQAULONLLWFIX-QGZVFWFLSA-N 1 1 290.451 3.884 20 30 CHEDMO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000105642901 1122597073 /nfs/dbraw/zinc/59/70/73/1122597073.db2.gz LZHXZEIKJWXUOU-UHFFFAOYSA-N 1 1 298.361 3.774 20 30 CHEDMO C=CCCCCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC001191764686 1122611355 /nfs/dbraw/zinc/61/13/55/1122611355.db2.gz VGEXTIZKYJZMCH-UHFFFAOYSA-N 1 1 281.440 3.977 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc2c1OCO2 ZINC000506011713 1122624860 /nfs/dbraw/zinc/62/48/60/1122624860.db2.gz FRAOGWSQADLZPL-UHFFFAOYSA-N 1 1 287.384 3.665 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc2c1OCO2 ZINC000506011713 1122624864 /nfs/dbraw/zinc/62/48/64/1122624864.db2.gz FRAOGWSQADLZPL-UHFFFAOYSA-N 1 1 287.384 3.665 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 ZINC000506055182 1122636231 /nfs/dbraw/zinc/63/62/31/1122636231.db2.gz BMJBXVWOWRRSTN-VXGBXAGGSA-N 1 1 250.773 3.883 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 ZINC000506055182 1122636235 /nfs/dbraw/zinc/63/62/35/1122636235.db2.gz BMJBXVWOWRRSTN-VXGBXAGGSA-N 1 1 250.773 3.883 20 30 CHEDMO CC(C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437582607 1122643665 /nfs/dbraw/zinc/64/36/65/1122643665.db2.gz YVJAPIXKEQXANX-INIZCTEOSA-N 1 1 259.368 3.545 20 30 CHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437876379 1122661663 /nfs/dbraw/zinc/66/16/63/1122661663.db2.gz XJDXGVBITHGNBP-NVXWUHKLSA-N 1 1 292.467 3.502 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cccc(Br)c1 ZINC001203768593 1122663121 /nfs/dbraw/zinc/66/31/21/1122663121.db2.gz FORSPZGXPZMRBO-UHFFFAOYSA-N 1 1 281.197 3.575 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cccc(Br)c1 ZINC001203768593 1122663124 /nfs/dbraw/zinc/66/31/24/1122663124.db2.gz FORSPZGXPZMRBO-UHFFFAOYSA-N 1 1 281.197 3.575 20 30 CHEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000775573414 1122676694 /nfs/dbraw/zinc/67/66/94/1122676694.db2.gz YHPKLRSQASTTOH-SIXWZSSISA-N 1 1 295.382 3.778 20 30 CHEDMO Cc1ccc2cc(C[N@@H+](C[C@@H](C)C#N)C3CC3)ccc2n1 ZINC000438108979 1122679085 /nfs/dbraw/zinc/67/90/85/1122679085.db2.gz ZMXODCVFTRSSNG-ZDUSSCGKSA-N 1 1 279.387 3.667 20 30 CHEDMO Cc1ccc2cc(C[N@H+](C[C@@H](C)C#N)C3CC3)ccc2n1 ZINC000438108979 1122679086 /nfs/dbraw/zinc/67/90/86/1122679086.db2.gz ZMXODCVFTRSSNG-ZDUSSCGKSA-N 1 1 279.387 3.667 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001193365245 1122686432 /nfs/dbraw/zinc/68/64/32/1122686432.db2.gz QPGFRBGXRPOSMX-IRXDYDNUSA-N 1 1 271.404 3.640 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000775591223 1122686463 /nfs/dbraw/zinc/68/64/63/1122686463.db2.gz WKRSXOLOWDSZEN-LSDHHAIUSA-N 1 1 296.455 3.720 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(CC#N)CC2)CC12CCCCC2 ZINC001193636643 1122702887 /nfs/dbraw/zinc/70/28/87/1122702887.db2.gz KQXNCNAKNHGJPX-HNNXBMFYSA-N 1 1 260.425 3.973 20 30 CHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccccc1C#N ZINC000509547997 1122726828 /nfs/dbraw/zinc/72/68/28/1122726828.db2.gz CYRBKEKFFOPEOM-UHFFFAOYSA-N 1 1 298.361 3.598 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCCC#N ZINC001205656331 1122759325 /nfs/dbraw/zinc/75/93/25/1122759325.db2.gz OBNOPIKJYBDOGL-SJLPKXTDSA-N 1 1 286.419 3.607 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000439324300 1122772486 /nfs/dbraw/zinc/77/24/86/1122772486.db2.gz RWLWQDOVCGSBKU-ZBFHGGJFSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCCC#N ZINC001205665465 1122779956 /nfs/dbraw/zinc/77/99/56/1122779956.db2.gz YXOZTRCWTRSKTB-FUHWJXTLSA-N 1 1 286.419 3.607 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001194632988 1122787035 /nfs/dbraw/zinc/78/70/35/1122787035.db2.gz KLKMTZPMFCODPK-SWLSCSKDSA-N 1 1 265.784 3.758 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000426419136 1122789968 /nfs/dbraw/zinc/78/99/68/1122789968.db2.gz JRECTQGPVITBLP-UHFFFAOYSA-N 1 1 281.321 3.931 20 30 CHEDMO CC#CC[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC001194746853 1122794573 /nfs/dbraw/zinc/79/45/73/1122794573.db2.gz WQJPZGFDHVNJNM-FNORWQNLSA-N 1 1 292.220 3.808 20 30 CHEDMO CCCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001194748681 1122794998 /nfs/dbraw/zinc/79/49/98/1122794998.db2.gz YXKDQLYTFHLOED-MUJYYYPQSA-N 1 1 296.455 3.698 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000426457661 1122796844 /nfs/dbraw/zinc/79/68/44/1122796844.db2.gz YRDSCLKXDWBXSA-TZMCWYRMSA-N 1 1 292.329 3.534 20 30 CHEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000426464526 1122798609 /nfs/dbraw/zinc/79/86/09/1122798609.db2.gz WYRQMWJWCAMOSP-BETUJISGSA-N 1 1 281.321 3.645 20 30 CHEDMO C#CCCCCCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001194771754 1122803510 /nfs/dbraw/zinc/80/35/10/1122803510.db2.gz JJDALVSGRKMNHH-SJORKVTESA-N 1 1 275.436 3.604 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(COCC)c1 ZINC000426560443 1122821961 /nfs/dbraw/zinc/82/19/61/1122821961.db2.gz QAWQJUXIJNHTGU-KRWDZBQOSA-N 1 1 289.419 3.772 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000426562140 1122824028 /nfs/dbraw/zinc/82/40/28/1122824028.db2.gz ZRHWURCWDVPRQM-MRXNPFEDSA-N 1 1 255.361 3.503 20 30 CHEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775623365 1122827279 /nfs/dbraw/zinc/82/72/79/1122827279.db2.gz JBQSACFEALLAQZ-IAGOWNOFSA-N 1 1 259.393 3.541 20 30 CHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1O ZINC000775631357 1122834424 /nfs/dbraw/zinc/83/44/24/1122834424.db2.gz GKGHZKGCKHPMET-UHFFFAOYSA-N 1 1 294.398 3.825 20 30 CHEDMO C#CC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCc2ccccc21 ZINC000775630085 1122836294 /nfs/dbraw/zinc/83/62/94/1122836294.db2.gz JMVLJVXQVPRGFV-LJQANCHMSA-N 1 1 291.394 3.823 20 30 CHEDMO N#CC[C@@H]1CCCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC000894486202 1122861820 /nfs/dbraw/zinc/86/18/20/1122861820.db2.gz IVTXJONSAMVJGR-ZDUSSCGKSA-N 1 1 294.402 3.572 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001195463164 1122869601 /nfs/dbraw/zinc/86/96/01/1122869601.db2.gz HYVROWHUYPSADJ-LSDHHAIUSA-N 1 1 286.375 3.700 20 30 CHEDMO C=CC[C@H]([NH2+][C@H]1CCCc2oc(C)nc21)c1ccncc1 ZINC000925075848 1122874352 /nfs/dbraw/zinc/87/43/52/1122874352.db2.gz RVQWYPIAPMMFSO-GJZGRUSLSA-N 1 1 283.375 3.662 20 30 CHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894706942 1122895849 /nfs/dbraw/zinc/89/58/49/1122895849.db2.gz IYJVUJXOQZPKQT-GXSJLCMTSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894706942 1122895853 /nfs/dbraw/zinc/89/58/53/1122895853.db2.gz IYJVUJXOQZPKQT-GXSJLCMTSA-N 1 1 288.338 3.783 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c(O)ccc2ccncc21 ZINC000729468745 1122901270 /nfs/dbraw/zinc/90/12/70/1122901270.db2.gz YMOQGIOLEUMIHM-UHFFFAOYSA-N 1 1 297.402 3.702 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@@H]1CCCC[C@@H]1C ZINC001196323460 1122916994 /nfs/dbraw/zinc/91/69/94/1122916994.db2.gz VTUIHXRRRPNXTF-MWDXBVQZSA-N 1 1 263.425 3.765 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001196441676 1122920808 /nfs/dbraw/zinc/92/08/08/1122920808.db2.gz LRGZQWJBMYGNJG-GFCCVEGCSA-N 1 1 283.774 3.756 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC001196439920 1122921069 /nfs/dbraw/zinc/92/10/69/1122921069.db2.gz FTWYRTVSGOEUSB-OAHLLOKOSA-N 1 1 266.388 3.941 20 30 CHEDMO CSCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426995772 1122930613 /nfs/dbraw/zinc/93/06/13/1122930613.db2.gz UECAHZGYHBZKBP-CYBMUJFWSA-N 1 1 281.852 3.765 20 30 CHEDMO C[N@H+](CCc1c(F)cccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC001196832861 1122933988 /nfs/dbraw/zinc/93/39/88/1122933988.db2.gz OMYGIBIATIKZQT-ABAIWWIYSA-N 1 1 280.774 3.646 20 30 CHEDMO C[N@@H+](CCc1c(F)cccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC001196832861 1122933993 /nfs/dbraw/zinc/93/39/93/1122933993.db2.gz OMYGIBIATIKZQT-ABAIWWIYSA-N 1 1 280.774 3.646 20 30 CHEDMO C[N@H+](CCc1c(F)cccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC001196832885 1122934426 /nfs/dbraw/zinc/93/44/26/1122934426.db2.gz OMYGIBIATIKZQT-XHDPSFHLSA-N 1 1 280.774 3.646 20 30 CHEDMO C[N@@H+](CCc1c(F)cccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC001196832885 1122934429 /nfs/dbraw/zinc/93/44/29/1122934429.db2.gz OMYGIBIATIKZQT-XHDPSFHLSA-N 1 1 280.774 3.646 20 30 CHEDMO CCCOc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC001196832014 1122934584 /nfs/dbraw/zinc/93/45/84/1122934584.db2.gz NGOUNIMSLNCLJK-DOTOQJQBSA-N 1 1 272.392 3.599 20 30 CHEDMO CCCOc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC001196832014 1122934586 /nfs/dbraw/zinc/93/45/86/1122934586.db2.gz NGOUNIMSLNCLJK-DOTOQJQBSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1C(C)C ZINC001205789165 1122938490 /nfs/dbraw/zinc/93/84/90/1122938490.db2.gz KTPBMEUEKDGWDG-RDJZCZTQSA-N 1 1 274.383 3.810 20 30 CHEDMO C[N@@H+](CCCSC(C)(C)C)CCc1cccc(C#N)c1 ZINC001197117203 1122945086 /nfs/dbraw/zinc/94/50/86/1122945086.db2.gz YXEOQGLBDPEQBZ-UHFFFAOYSA-N 1 1 290.476 3.954 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(CF)cc1 ZINC001197115382 1122945489 /nfs/dbraw/zinc/94/54/89/1122945489.db2.gz LCWJFUOMMAVZNO-UHFFFAOYSA-N 1 1 282.362 3.702 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001197239734 1122949584 /nfs/dbraw/zinc/94/95/84/1122949584.db2.gz QJUOHZQLBBCVDA-QGZVFWFLSA-N 1 1 297.483 3.600 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001197314433 1122951396 /nfs/dbraw/zinc/95/13/96/1122951396.db2.gz FSZSLLFCLKLCEE-KRWDZBQOSA-N 1 1 273.420 3.766 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001197342647 1122953472 /nfs/dbraw/zinc/95/34/72/1122953472.db2.gz QHGDTGFYUDNTBN-UHFFFAOYSA-N 1 1 298.336 3.589 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001197342647 1122953474 /nfs/dbraw/zinc/95/34/74/1122953474.db2.gz QHGDTGFYUDNTBN-UHFFFAOYSA-N 1 1 298.336 3.589 20 30 CHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001203314929 1122983996 /nfs/dbraw/zinc/98/39/96/1122983996.db2.gz QJJYKHHRACWIRX-GOSISDBHSA-N 1 1 292.382 3.602 20 30 CHEDMO CC(C)C[C@@H](C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001198195327 1122984516 /nfs/dbraw/zinc/98/45/16/1122984516.db2.gz VHWAMYYLXBKISW-GFCCVEGCSA-N 1 1 250.411 3.734 20 30 CHEDMO N#CCc1ccc(C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001198279711 1122985875 /nfs/dbraw/zinc/98/58/75/1122985875.db2.gz SHVKMCQCKYVUMO-OALUTQOASA-N 1 1 280.415 3.763 20 30 CHEDMO C=CCCC[N@H+](CC)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC001198457752 1122992764 /nfs/dbraw/zinc/99/27/64/1122992764.db2.gz IVUGMRWMFDVCNA-OAHLLOKOSA-N 1 1 284.407 3.616 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccn(-c2ccccc2F)n1 ZINC001198458967 1122992791 /nfs/dbraw/zinc/99/27/91/1122992791.db2.gz ZVZGXCDHIHRPGV-UHFFFAOYSA-N 1 1 287.382 3.800 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1CCCCCCNC(=O)OC(C)(C)C ZINC001198491477 1122994578 /nfs/dbraw/zinc/99/45/78/1122994578.db2.gz RGZKRGRTPYUMRD-OAHLLOKOSA-N 1 1 296.455 3.722 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3cc(-c4ccccc4)oc3C2)C1 ZINC000334359834 1122995793 /nfs/dbraw/zinc/99/57/93/1122995793.db2.gz XHIRJKPOFXFFLU-YOEHRIQHSA-N 1 1 292.382 3.997 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001198800030 1123011043 /nfs/dbraw/zinc/01/10/43/1123011043.db2.gz HDVCFYFWEHSZBO-YOEHRIQHSA-N 1 1 286.419 3.756 20 30 CHEDMO C=CCCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440545701 1123011966 /nfs/dbraw/zinc/01/19/66/1123011966.db2.gz KWSXJIQUCAJMNX-VYDXJSESSA-N 1 1 263.425 3.622 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680189 1123024962 /nfs/dbraw/zinc/02/49/62/1123024962.db2.gz QYGBITSXDDSNOV-UHFFFAOYSA-N 1 1 290.366 3.553 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680189 1123024965 /nfs/dbraw/zinc/02/49/65/1123024965.db2.gz QYGBITSXDDSNOV-UHFFFAOYSA-N 1 1 290.366 3.553 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCCC[C@H]2O)CCCC1(C)C ZINC000519778748 1123026452 /nfs/dbraw/zinc/02/64/52/1123026452.db2.gz SIBFMZSXQNHDSC-XHSDSOJGSA-N 1 1 265.441 3.604 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000519855972 1123033119 /nfs/dbraw/zinc/03/31/19/1123033119.db2.gz HONBJMLNRWTUGI-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000519855972 1123033123 /nfs/dbraw/zinc/03/31/23/1123033123.db2.gz HONBJMLNRWTUGI-UHFFFAOYSA-N 1 1 272.392 3.599 20 30 CHEDMO CCCC(N)=[NH+]OCc1csc(-c2ccc(F)cc2)n1 ZINC000105606053 1123059041 /nfs/dbraw/zinc/05/90/41/1123059041.db2.gz BLODAPQVMFADMN-UHFFFAOYSA-N 1 1 293.367 3.538 20 30 CHEDMO C=CCCC(C)(C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000633966002 1129098040 /nfs/dbraw/zinc/09/80/40/1129098040.db2.gz AZRYUOIPCNAKRL-AWEZNQCLSA-N 1 1 291.439 3.505 20 30 CHEDMO C=CCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000473924687 1123093822 /nfs/dbraw/zinc/09/38/22/1123093822.db2.gz VXBZGEJWNIEYME-NVXWUHKLSA-N 1 1 259.393 3.641 20 30 CHEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000019804687 1123109901 /nfs/dbraw/zinc/10/99/01/1123109901.db2.gz RZGFVAIRKCYBQQ-UHFFFAOYSA-N 1 1 264.372 3.969 20 30 CHEDMO COc1ccc(C#N)cc1Nc1ccc2c[nH+]ccc2c1 ZINC001201585284 1123128194 /nfs/dbraw/zinc/12/81/94/1123128194.db2.gz HUAYYDGGZFAEGT-UHFFFAOYSA-N 1 1 275.311 3.859 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(Br)c1 ZINC000155230617 1129100512 /nfs/dbraw/zinc/10/05/12/1129100512.db2.gz KKRUMCRHHFMAEC-NEPJUHHUSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccc(Br)c1 ZINC000155230617 1129100513 /nfs/dbraw/zinc/10/05/13/1129100513.db2.gz KKRUMCRHHFMAEC-NEPJUHHUSA-N 1 1 295.224 3.992 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)ccc1F ZINC000441470563 1123139745 /nfs/dbraw/zinc/13/97/45/1123139745.db2.gz XEXGJTCMSKWHTM-SUYBPPKGSA-N 1 1 272.367 3.850 20 30 CHEDMO C#CC[N@@H+](Cc1c(C)onc1CC)[C@H]1CCc2ccccc21 ZINC000162867701 1123144878 /nfs/dbraw/zinc/14/48/78/1123144878.db2.gz UTMVNPYHIXKBHC-IBGZPJMESA-N 1 1 294.398 3.668 20 30 CHEDMO C#CC[N@H+](Cc1c(C)onc1CC)[C@H]1CCc2ccccc21 ZINC000162867701 1123144882 /nfs/dbraw/zinc/14/48/82/1123144882.db2.gz UTMVNPYHIXKBHC-IBGZPJMESA-N 1 1 294.398 3.668 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000076734123 1123145866 /nfs/dbraw/zinc/14/58/66/1123145866.db2.gz XDOQRQVZKGLRAQ-UHFFFAOYSA-N 1 1 285.387 3.753 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001201804479 1123149961 /nfs/dbraw/zinc/14/99/61/1123149961.db2.gz LAFGKWCUBPYJKU-HOTGVXAUSA-N 1 1 253.430 3.848 20 30 CHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCCCCC)C2 ZINC001201777313 1123151530 /nfs/dbraw/zinc/15/15/30/1123151530.db2.gz VTANMBCECVOLSB-QZTJIDSGSA-N 1 1 295.467 3.783 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001201852818 1123151999 /nfs/dbraw/zinc/15/19/99/1123151999.db2.gz MYEIJUULFPRQJC-MRXNPFEDSA-N 1 1 278.444 3.666 20 30 CHEDMO CCCCCCCCC[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001201852670 1123152016 /nfs/dbraw/zinc/15/20/16/1123152016.db2.gz GYAYVMHHWORKDC-IAGOWNOFSA-N 1 1 266.473 3.621 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001201852729 1123152157 /nfs/dbraw/zinc/15/21/57/1123152157.db2.gz IGQWXOYFCWHXIZ-SJORKVTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001201852902 1123152422 /nfs/dbraw/zinc/15/24/22/1123152422.db2.gz RCPKTFOVNNEQJB-HUUCEWRRSA-N 1 1 259.409 3.532 20 30 CHEDMO CCCCCCCC[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001201825729 1123153251 /nfs/dbraw/zinc/15/32/51/1123153251.db2.gz DVQRQNUICWVBTE-UHFFFAOYSA-N 1 1 294.483 3.681 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001201826296 1123153301 /nfs/dbraw/zinc/15/33/01/1123153301.db2.gz RCCRLZCBKBPJNX-UHFFFAOYSA-N 1 1 281.831 3.849 20 30 CHEDMO CCCCCCCC[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001201839440 1123154064 /nfs/dbraw/zinc/15/40/64/1123154064.db2.gz DCTJRAWOBJZKBI-UHFFFAOYSA-N 1 1 276.424 3.548 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001201840140 1123154827 /nfs/dbraw/zinc/15/48/27/1123154827.db2.gz NFDLRVSMHRFBFY-KRWDZBQOSA-N 1 1 276.424 3.895 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001201840387 1123154980 /nfs/dbraw/zinc/15/49/80/1123154980.db2.gz ZKDOLRFGIVZIMN-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001201839748 1123155085 /nfs/dbraw/zinc/15/50/85/1123155085.db2.gz ISPGGZWXFRQWLL-OAHLLOKOSA-N 1 1 261.413 3.974 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001201840255 1123155114 /nfs/dbraw/zinc/15/51/14/1123155114.db2.gz XKHWEHKDNNAIBY-CVEARBPZSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001201840290 1123155221 /nfs/dbraw/zinc/15/52/21/1123155221.db2.gz SKRLBXAOZVEWLJ-KRWDZBQOSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001201840290 1123155223 /nfs/dbraw/zinc/15/52/23/1123155223.db2.gz SKRLBXAOZVEWLJ-KRWDZBQOSA-N 1 1 276.424 3.815 20 30 CHEDMO CCCCCCCCC[NH+]1CCN(CCC)CC1 ZINC001201845975 1123155768 /nfs/dbraw/zinc/15/57/68/1123155768.db2.gz BUTQLYTZKSLZFG-UHFFFAOYSA-N 1 1 254.462 3.765 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001201874863 1123156856 /nfs/dbraw/zinc/15/68/56/1123156856.db2.gz JRAXPLGUTVBXEZ-QGZVFWFLSA-N 1 1 282.472 3.680 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001202115383 1123176486 /nfs/dbraw/zinc/17/64/86/1123176486.db2.gz WRFYVGYKFKJGSX-KRWDZBQOSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507783052 1123185352 /nfs/dbraw/zinc/18/53/52/1123185352.db2.gz KTGIPHXKAVAOJH-MOPGFXCFSA-N 1 1 298.430 3.751 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507792025 1123198787 /nfs/dbraw/zinc/19/87/87/1123198787.db2.gz GCGBMQFTYBPHTN-OALUTQOASA-N 1 1 287.447 3.922 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC2(C#N)CC2)C1 ZINC000343312412 1123200220 /nfs/dbraw/zinc/20/02/20/1123200220.db2.gz BKGCHBGDHJKDNY-DOMZBBRYSA-N 1 1 258.340 3.512 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC2(C#N)CC2)C1 ZINC000343312412 1123200224 /nfs/dbraw/zinc/20/02/24/1123200224.db2.gz BKGCHBGDHJKDNY-DOMZBBRYSA-N 1 1 258.340 3.512 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@](C)(CF)C1 ZINC001252124298 1123224695 /nfs/dbraw/zinc/22/46/95/1123224695.db2.gz QNTVOIOQRXTPRX-HZPDHXFCSA-N 1 1 273.436 3.779 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC000066863730 1123230687 /nfs/dbraw/zinc/23/06/87/1123230687.db2.gz ZTISEXGZWSYRPR-UHFFFAOYSA-N 1 1 256.349 3.740 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC000066863730 1123230688 /nfs/dbraw/zinc/23/06/88/1123230688.db2.gz ZTISEXGZWSYRPR-UHFFFAOYSA-N 1 1 256.349 3.740 20 30 CHEDMO C[C@H](C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000248456069 1123247768 /nfs/dbraw/zinc/24/77/68/1123247768.db2.gz LIHPLJGRNCOLHF-CHWSQXEVSA-N 1 1 285.416 3.811 20 30 CHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000850511928 1123278657 /nfs/dbraw/zinc/27/86/57/1123278657.db2.gz QSPWPFUXNNSBQJ-OLZOCXBDSA-N 1 1 286.400 3.567 20 30 CHEDMO CCC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428226217 1123280903 /nfs/dbraw/zinc/28/09/03/1123280903.db2.gz GRNUVEVMLMANCB-CYBMUJFWSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)c1C#N ZINC000428211380 1123282386 /nfs/dbraw/zinc/28/23/86/1123282386.db2.gz XEEMSENEKDJENW-PBFPGSCMSA-N 1 1 272.367 3.850 20 30 CHEDMO C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[C@H](C)N1Cc1ccccc1 ZINC001168013669 1123309199 /nfs/dbraw/zinc/30/91/99/1123309199.db2.gz IIPWEJSBYACUAD-IZZQQSIFSA-N 1 1 299.462 3.711 20 30 CHEDMO CC#CCC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000156647596 1129115050 /nfs/dbraw/zinc/11/50/50/1129115050.db2.gz LUAYIOAELHMWNJ-UHFFFAOYSA-N 1 1 278.399 3.806 20 30 CHEDMO COc1cc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)ccc1C#N ZINC000442853160 1123345298 /nfs/dbraw/zinc/34/52/98/1123345298.db2.gz UKJOPJDFQZTJSQ-CQSZACIVSA-N 1 1 284.403 3.579 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000442893958 1123347985 /nfs/dbraw/zinc/34/79/85/1123347985.db2.gz HFUBJNMFMSWAPT-BEFAXECRSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000442893958 1123347989 /nfs/dbraw/zinc/34/79/89/1123347989.db2.gz HFUBJNMFMSWAPT-BEFAXECRSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000442901933 1123349155 /nfs/dbraw/zinc/34/91/55/1123349155.db2.gz PIWGPTIQWXZCSU-UONOGXRCSA-N 1 1 256.393 3.987 20 30 CHEDMO COc1cc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)ccc1C#N ZINC000443061788 1123352742 /nfs/dbraw/zinc/35/27/42/1123352742.db2.gz KBPUNNGDKVCIPS-HNNXBMFYSA-N 1 1 272.392 3.577 20 30 CHEDMO 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CC[N@H+]1CCC(N=Nc2nc3ccccc3cc2C)[C@@H](C)C1 ZINC000776782263 1123505326 /nfs/dbraw/zinc/50/53/26/1123505326.db2.gz HFHPECOCCAPTMB-AWEZNQCLSA-N 1 1 296.418 3.673 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000776794320 1123506024 /nfs/dbraw/zinc/50/60/24/1123506024.db2.gz AWCFHSBQPFMSNF-FQEVSTJZSA-N 1 1 290.410 3.856 20 30 CHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000776793846 1123506036 /nfs/dbraw/zinc/50/60/36/1123506036.db2.gz YZVCWYMPXOVWNI-QGZVFWFLSA-N 1 1 281.359 3.500 20 30 CHEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000776793846 1123506039 /nfs/dbraw/zinc/50/60/39/1123506039.db2.gz YZVCWYMPXOVWNI-QGZVFWFLSA-N 1 1 281.359 3.500 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@H](C)C1 ZINC000428294436 1123509843 /nfs/dbraw/zinc/50/98/43/1123509843.db2.gz GHOUICGSUXVPPA-QWHCGFSZSA-N 1 1 260.356 3.565 20 30 CHEDMO Cc1cnc(Cl)c(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC000895785074 1123514535 /nfs/dbraw/zinc/51/45/35/1123514535.db2.gz 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/nfs/dbraw/zinc/63/33/21/1124633321.db2.gz SHVPIRKPCLDHAZ-UHFFFAOYSA-N 1 1 272.323 3.697 20 30 CHEDMO C=CC[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449258442 1124677247 /nfs/dbraw/zinc/67/72/47/1124677247.db2.gz MXGYWRXTSJMKNM-UHFFFAOYSA-N 1 1 272.417 3.546 20 30 CHEDMO C=CC[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000449258442 1124677251 /nfs/dbraw/zinc/67/72/51/1124677251.db2.gz MXGYWRXTSJMKNM-UHFFFAOYSA-N 1 1 272.417 3.546 20 30 CHEDMO C=C(C)C[N@@H+](Cc1csc(C)c1)Cc1ccc(CO)o1 ZINC000449318740 1124691779 /nfs/dbraw/zinc/69/17/79/1124691779.db2.gz DTZUHIKXVPCSCP-UHFFFAOYSA-N 1 1 291.416 3.720 20 30 CHEDMO C=C(C)C[N@H+](Cc1csc(C)c1)Cc1ccc(CO)o1 ZINC000449318740 1124691784 /nfs/dbraw/zinc/69/17/84/1124691784.db2.gz DTZUHIKXVPCSCP-UHFFFAOYSA-N 1 1 291.416 3.720 20 30 CHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(C2CC2)c1 ZINC000449346861 1124696960 /nfs/dbraw/zinc/69/69/60/1124696960.db2.gz AQMYAAUOVOJWOA-NSHDSACASA-N 1 1 283.400 3.743 20 30 CHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)c2ccccc2C)no1 ZINC000872177458 1124698661 /nfs/dbraw/zinc/69/86/61/1124698661.db2.gz AENQNKKOSKFHSM-DGCLKSJQSA-N 1 1 291.782 3.672 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872262313 1124701846 /nfs/dbraw/zinc/70/18/46/1124701846.db2.gz XTOVWYUFVIAUFK-OAHLLOKOSA-N 1 1 290.432 3.543 20 30 CHEDMO COc1cccc([C@@H]2C[N@@H+](CC3(C#N)CCC3)CC2(C)C)c1 ZINC000528621114 1124713125 /nfs/dbraw/zinc/71/31/25/1124713125.db2.gz UDBKMLCTISXCSF-KRWDZBQOSA-N 1 1 298.430 3.814 20 30 CHEDMO Cc1ccccc1CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000449381226 1124717992 /nfs/dbraw/zinc/71/79/92/1124717992.db2.gz QZVVVDCFDCSHFX-UHFFFAOYSA-N 1 1 264.372 3.541 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000449391661 1124721096 /nfs/dbraw/zinc/72/10/96/1124721096.db2.gz YWIJOKSPWOIFLY-SPYBWZPUSA-N 1 1 293.414 3.663 20 30 CHEDMO N#CCC[N@H+](Cc1ccc(N2CCCC2)o1)C1CCCC1 ZINC001137066448 1124734266 /nfs/dbraw/zinc/73/42/66/1124734266.db2.gz RMVOTHMAMRGJIC-UHFFFAOYSA-N 1 1 287.407 3.538 20 30 CHEDMO N#CCC[N@@H+](Cc1ccc(N2CCCC2)o1)C1CCCC1 ZINC001137066448 1124734268 /nfs/dbraw/zinc/73/42/68/1124734268.db2.gz RMVOTHMAMRGJIC-UHFFFAOYSA-N 1 1 287.407 3.538 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC001168111532 1124834064 /nfs/dbraw/zinc/83/40/64/1124834064.db2.gz FOMHYUUXIDKBBA-QGZVFWFLSA-N 1 1 286.419 3.967 20 30 CHEDMO C=C(Br)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000125076662 1124841431 /nfs/dbraw/zinc/84/14/31/1124841431.db2.gz MGTDJWXUODJKFN-LLVKDONJSA-N 1 1 284.197 3.563 20 30 CHEDMO CC(C)CCc1ccc(NCc2ccc(C#N)o2)[nH+]c1 ZINC000449706371 1124844766 /nfs/dbraw/zinc/84/47/66/1124844766.db2.gz AQFPHIZHNDTPNM-UHFFFAOYSA-N 1 1 269.348 3.747 20 30 CHEDMO CC[N@H+](CCC#N)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000125322830 1124883723 /nfs/dbraw/zinc/88/37/23/1124883723.db2.gz FVCCRWSXGSEGHH-UHFFFAOYSA-N 1 1 274.408 3.734 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000125322830 1124883729 /nfs/dbraw/zinc/88/37/29/1124883729.db2.gz FVCCRWSXGSEGHH-UHFFFAOYSA-N 1 1 274.408 3.734 20 30 CHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)cc1 ZINC000450219407 1124950868 /nfs/dbraw/zinc/95/08/68/1124950868.db2.gz CZLOQCKUZLJKSY-KRWDZBQOSA-N 1 1 284.403 3.916 20 30 CHEDMO C[N@H+](CCCc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876581185 1124961064 /nfs/dbraw/zinc/96/10/64/1124961064.db2.gz CBMWBMHXLJUJFI-UHFFFAOYSA-N 1 1 299.805 3.671 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876581185 1124961069 /nfs/dbraw/zinc/96/10/69/1124961069.db2.gz CBMWBMHXLJUJFI-UHFFFAOYSA-N 1 1 299.805 3.671 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000876585175 1124963745 /nfs/dbraw/zinc/96/37/45/1124963745.db2.gz BKKASSHTNCQCRQ-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450264046 1124963870 /nfs/dbraw/zinc/96/38/70/1124963870.db2.gz YQGCHPJRMOTJCQ-HNNXBMFYSA-N 1 1 268.404 3.981 20 30 CHEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000876583914 1124964292 /nfs/dbraw/zinc/96/42/92/1124964292.db2.gz AXQUSZDZPZDOIU-QGZVFWFLSA-N 1 1 256.393 3.802 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000876629486 1124966647 /nfs/dbraw/zinc/96/66/47/1124966647.db2.gz HEKDZULEHZSPRM-UHFFFAOYSA-N 1 1 298.430 3.587 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC(F)(F)C1 ZINC000450299405 1124970936 /nfs/dbraw/zinc/97/09/36/1124970936.db2.gz PSCIXANCRXKNHC-UHFFFAOYSA-N 1 1 296.317 3.628 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)CC1(C#N)CCC1 ZINC000450301129 1124973416 /nfs/dbraw/zinc/97/34/16/1124973416.db2.gz IGPZHFRGLYDXGB-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000120834671 1124994381 /nfs/dbraw/zinc/99/43/81/1124994381.db2.gz UNZMNQGEDNKGQO-LSDHHAIUSA-N 1 1 278.440 3.596 20 30 CHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000120834799 1124994509 /nfs/dbraw/zinc/99/45/09/1124994509.db2.gz UNZMNQGEDNKGQO-GJZGRUSLSA-N 1 1 278.440 3.596 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000877373804 1125024528 /nfs/dbraw/zinc/02/45/28/1125024528.db2.gz KCBOAXAJVQIOSA-NSHDSACASA-N 1 1 293.208 3.705 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000877373804 1125024533 /nfs/dbraw/zinc/02/45/33/1125024533.db2.gz KCBOAXAJVQIOSA-NSHDSACASA-N 1 1 293.208 3.705 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000877494520 1125033893 /nfs/dbraw/zinc/03/38/93/1125033893.db2.gz XYGGTQOQCBNYQY-UHFFFAOYSA-N 1 1 289.810 3.619 20 30 CHEDMO CCC[N@@H+](CCCCC#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000121080151 1125035709 /nfs/dbraw/zinc/03/57/09/1125035709.db2.gz CGORNNILHMSDDM-GJZGRUSLSA-N 1 1 266.429 3.596 20 30 CHEDMO N#CCC[N@@H+](CC/C=C\c1ccccc1)CC1CC1 ZINC000450464277 1125036437 /nfs/dbraw/zinc/03/64/37/1125036437.db2.gz XJUMMRMAFKGZQW-WTKPLQERSA-N 1 1 254.377 3.716 20 30 CHEDMO C=C(CC)C[NH2+]Cc1nc(Cl)ccc1Br ZINC000877575128 1125048917 /nfs/dbraw/zinc/04/89/17/1125048917.db2.gz IBOOATORLXXVJZ-UHFFFAOYSA-N 1 1 289.604 3.553 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000121164721 1125052808 /nfs/dbraw/zinc/05/28/08/1125052808.db2.gz YMSDDWDSJIGVME-NSHDSACASA-N 1 1 277.393 3.757 20 30 CHEDMO N#Cc1cnc(Cl)c(C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000877640795 1125057161 /nfs/dbraw/zinc/05/71/61/1125057161.db2.gz SLWRYSFXCMKXKT-UHFFFAOYSA-N 1 1 289.810 3.619 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672431 1125060521 /nfs/dbraw/zinc/06/05/21/1125060521.db2.gz FARAUHVCOOEBGB-MOPGFXCFSA-N 1 1 285.431 3.768 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672433 1125061071 /nfs/dbraw/zinc/06/10/71/1125061071.db2.gz FARAUHVCOOEBGB-RBUKOAKNSA-N 1 1 285.431 3.768 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)cnc1Cl ZINC000877703910 1125067121 /nfs/dbraw/zinc/06/71/21/1125067121.db2.gz GHIABLAKLQCENW-UHFFFAOYSA-N 1 1 299.805 3.590 20 30 CHEDMO C[C@H](C#N)C[N@H+](CCc1ccc(Cl)cc1)C1CC1 ZINC000450612179 1125072213 /nfs/dbraw/zinc/07/22/13/1125072213.db2.gz JVENNLKGMRDEIS-GFCCVEGCSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CCc1ccc(Cl)cc1)C1CC1 ZINC000450612179 1125072218 /nfs/dbraw/zinc/07/22/18/1125072218.db2.gz JVENNLKGMRDEIS-GFCCVEGCSA-N 1 1 262.784 3.507 20 30 CHEDMO C[N@@H+](CC[C@H]1CCCC1(F)F)Cc1ccc(C#N)cc1 ZINC000877917010 1125100984 /nfs/dbraw/zinc/10/09/84/1125100984.db2.gz NBHWAXSQWJMGSR-OAHLLOKOSA-N 1 1 278.346 3.816 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000878013617 1125111751 /nfs/dbraw/zinc/11/17/51/1125111751.db2.gz BFLYDPMWUALVGP-LJQANCHMSA-N 1 1 298.430 3.549 20 30 CHEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCC3(CCC3)O2)C2CC2)cc1 ZINC000878002496 1125112142 /nfs/dbraw/zinc/11/21/42/1125112142.db2.gz XWUJHQUVDNQJGC-GOSISDBHSA-N 1 1 296.414 3.624 20 30 CHEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C2CC2)cc1 ZINC000878002497 1125112626 /nfs/dbraw/zinc/11/26/26/1125112626.db2.gz XWUJHQUVDNQJGC-SFHVURJKSA-N 1 1 296.414 3.624 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878189070 1125129184 /nfs/dbraw/zinc/12/91/84/1125129184.db2.gz QSYZHMDJKDWSSY-OIISXLGYSA-N 1 1 272.392 3.531 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878189070 1125129187 /nfs/dbraw/zinc/12/91/87/1125129187.db2.gz QSYZHMDJKDWSSY-OIISXLGYSA-N 1 1 272.392 3.531 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)C1(C)CC1)c1ccccc1 ZINC000878179308 1125129464 /nfs/dbraw/zinc/12/94/64/1125129464.db2.gz KUVVLOIRRJOWQS-DNVCBOLYSA-N 1 1 298.430 3.547 20 30 CHEDMO C=CC[C@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000878258085 1125136077 /nfs/dbraw/zinc/13/60/77/1125136077.db2.gz YPIUJMNQGKLAOV-HNNXBMFYSA-N 1 1 274.408 3.528 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@H+](CC3CC4(CCC4)C3)CCO2)c1 ZINC000878322699 1125142193 /nfs/dbraw/zinc/14/21/93/1125142193.db2.gz NMYNCBHCUCORLM-GOSISDBHSA-N 1 1 296.414 3.512 20 30 CHEDMO N#Cc1cccc([C@H]2C[N@@H+](CC3CC4(CCC4)C3)CCO2)c1 ZINC000878322699 1125142196 /nfs/dbraw/zinc/14/21/96/1125142196.db2.gz NMYNCBHCUCORLM-GOSISDBHSA-N 1 1 296.414 3.512 20 30 CHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878453958 1125154900 /nfs/dbraw/zinc/15/49/00/1125154900.db2.gz PXOJKAZZYBVTNV-IPELMVKDSA-N 1 1 298.430 3.547 20 30 CHEDMO Cc1conc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000878647924 1125169532 /nfs/dbraw/zinc/16/95/32/1125169532.db2.gz LDSHCGYLJBRITN-OAHLLOKOSA-N 1 1 269.348 3.508 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000878728027 1125177102 /nfs/dbraw/zinc/17/71/02/1125177102.db2.gz IHKSGQVUCZTBMN-GPMSIDNRSA-N 1 1 298.430 3.547 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000530902112 1125185325 /nfs/dbraw/zinc/18/53/25/1125185325.db2.gz JGRBGAUMAWMZOD-HNNXBMFYSA-N 1 1 292.382 3.556 20 30 CHEDMO CC(C)Oc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001137139792 1125189923 /nfs/dbraw/zinc/18/99/23/1125189923.db2.gz VRXZCFLCUOTJNZ-XGBSXSJOSA-N 1 1 284.403 3.740 20 30 CHEDMO CCCCCCCCCC[C@@H](C)[NH2+]C1(CO)CCNCC1 ZINC001246117540 1131337945 /nfs/dbraw/zinc/33/79/45/1131337945.db2.gz JWBIMVRMUQTNBI-QGZVFWFLSA-N 1 1 298.515 3.610 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626125693 1125221213 /nfs/dbraw/zinc/22/12/13/1125221213.db2.gz UZSKJSGXXXAMQI-AWEZNQCLSA-N 1 1 263.356 3.590 20 30 CHEDMO Cc1csc([C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000880007448 1125243446 /nfs/dbraw/zinc/24/34/46/1125243446.db2.gz HSYXIXAILIGTNZ-CYBMUJFWSA-N 1 1 277.437 3.571 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998539 1125244084 /nfs/dbraw/zinc/24/40/84/1125244084.db2.gz UJOPVPLJEMZIFO-LJQANCHMSA-N 1 1 282.431 3.906 20 30 CHEDMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CCCC#N ZINC000880286087 1125261686 /nfs/dbraw/zinc/26/16/86/1125261686.db2.gz RZGCJXGKCBEIOL-CYBMUJFWSA-N 1 1 278.346 3.836 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccccc1 ZINC000880388841 1125271056 /nfs/dbraw/zinc/27/10/56/1125271056.db2.gz AOZJFBXGDXCPAM-HNNXBMFYSA-N 1 1 284.407 3.554 20 30 CHEDMO CC(C)(C)c1cc[nH+]c(NCc2ccc(OCC#N)cc2)c1 ZINC000881911197 1125330326 /nfs/dbraw/zinc/33/03/26/1125330326.db2.gz MFTOGLJOLPAMKD-UHFFFAOYSA-N 1 1 295.386 3.894 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3cccnc31)CC2 ZINC001137172155 1125331326 /nfs/dbraw/zinc/33/13/26/1125331326.db2.gz VUMSSMBMULMFKM-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000129788443 1125349530 /nfs/dbraw/zinc/34/95/30/1125349530.db2.gz RLKFMYGRVNBJJR-QMMMGPOBSA-N 1 1 292.579 3.991 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1C#N ZINC000191311005 1125358154 /nfs/dbraw/zinc/35/81/54/1125358154.db2.gz KBRYRFWVXYMIES-GOSISDBHSA-N 1 1 293.414 3.666 20 30 CHEDMO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000191372888 1125359282 /nfs/dbraw/zinc/35/92/82/1125359282.db2.gz HHXCTILHFJFYRD-KRWDZBQOSA-N 1 1 297.402 3.779 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191386104 1125359927 /nfs/dbraw/zinc/35/99/27/1125359927.db2.gz WMGBBYWQEVONNS-WBVHZDCISA-N 1 1 293.414 3.583 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)c1C ZINC000191394686 1125360181 /nfs/dbraw/zinc/36/01/81/1125360181.db2.gz KOWZDPANHPZPTG-IBGZPJMESA-N 1 1 293.414 3.851 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000016433613 1125376264 /nfs/dbraw/zinc/37/62/64/1125376264.db2.gz ZUUSYIZIRKDZFR-SUMWQHHRSA-N 1 1 280.371 3.907 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1cccc2ccccc21 ZINC000042530717 1125391705 /nfs/dbraw/zinc/39/17/05/1125391705.db2.gz AQKJLUWCPCNFRA-UHFFFAOYSA-N 1 1 252.361 3.964 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(C)cc1 ZINC000352836467 1125399510 /nfs/dbraw/zinc/39/95/10/1125399510.db2.gz UUFJZTUIMWJNBV-CQSZACIVSA-N 1 1 271.389 3.564 20 30 CHEDMO N#Cc1csc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883383336 1125407543 /nfs/dbraw/zinc/40/75/43/1125407543.db2.gz WVVAZYBYOUTABL-HZPDHXFCSA-N 1 1 286.375 3.735 20 30 CHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000429559211 1125443304 /nfs/dbraw/zinc/44/33/04/1125443304.db2.gz GVRRTZBCUKWXMQ-SMDDNHRTSA-N 1 1 294.345 3.780 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000245503534 1129209136 /nfs/dbraw/zinc/20/91/36/1129209136.db2.gz IHGAFFKWBOGVNN-BFYDXBDKSA-N 1 1 286.419 3.988 20 30 CHEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1cccs1 ZINC000164617683 1129209921 /nfs/dbraw/zinc/20/99/21/1129209921.db2.gz DIEFDYLWPMGYLY-UHFFFAOYSA-N 1 1 276.405 3.584 20 30 CHEDMO C[C@H](C1CC1)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000245542565 1129211268 /nfs/dbraw/zinc/21/12/68/1129211268.db2.gz QBBISBATMWCQJN-UONOGXRCSA-N 1 1 284.403 3.740 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000734000810 1129292118 /nfs/dbraw/zinc/29/21/18/1129292118.db2.gz BDESEPWYRYVFRT-IBGZPJMESA-N 1 1 296.414 3.911 20 30 CHEDMO C[C@@H]1CC(=NNC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000734299214 1129300481 /nfs/dbraw/zinc/30/04/81/1129300481.db2.gz KJQWQJYPLSVULP-OAHLLOKOSA-N 1 1 285.435 3.559 20 30 CHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cn1 ZINC000090665509 1129320309 /nfs/dbraw/zinc/32/03/09/1129320309.db2.gz FDTQQSIENHQDOV-SUMWQHHRSA-N 1 1 283.350 3.916 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1F ZINC000735670829 1129355890 /nfs/dbraw/zinc/35/58/90/1129355890.db2.gz WIYWTJVGLMTPRY-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000736623533 1129377763 /nfs/dbraw/zinc/37/77/63/1129377763.db2.gz MNQVNYYMEZDSPU-CQSZACIVSA-N 1 1 287.325 3.637 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000092261567 1129384916 /nfs/dbraw/zinc/38/49/16/1129384916.db2.gz ZTYUIUXAMOUIBO-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000738313868 1129392784 /nfs/dbraw/zinc/39/27/84/1129392784.db2.gz LIEVXGGHAUGZIM-MAUKXSAKSA-N 1 1 286.419 3.990 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000739931125 1129410074 /nfs/dbraw/zinc/41/00/74/1129410074.db2.gz QKDFGRJAMDTFKU-MRXNPFEDSA-N 1 1 265.372 3.537 20 30 CHEDMO CCCCCCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000740875307 1129421695 /nfs/dbraw/zinc/42/16/95/1129421695.db2.gz RUUGGWNZFDIGFW-AWEZNQCLSA-N 1 1 265.401 3.875 20 30 CHEDMO CCCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000740877157 1129421765 /nfs/dbraw/zinc/42/17/65/1129421765.db2.gz DHAICLHHRCKKOR-ZDUSSCGKSA-N 1 1 295.452 3.516 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000740877157 1129421766 /nfs/dbraw/zinc/42/17/66/1129421766.db2.gz DHAICLHHRCKKOR-ZDUSSCGKSA-N 1 1 295.452 3.516 20 30 CHEDMO CCCCCCC[N@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000740882200 1129422555 /nfs/dbraw/zinc/42/25/55/1129422555.db2.gz HIBAHMWRVYMRSW-JKSUJKDBSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000740882200 1129422557 /nfs/dbraw/zinc/42/25/57/1129422557.db2.gz HIBAHMWRVYMRSW-JKSUJKDBSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000740876902 1129422513 /nfs/dbraw/zinc/42/25/13/1129422513.db2.gz NJIZDQJGAUGIJI-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000740876902 1129422516 /nfs/dbraw/zinc/42/25/16/1129422516.db2.gz NJIZDQJGAUGIJI-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCc2c(ncn2C)C1 ZINC000740877554 1129422850 /nfs/dbraw/zinc/42/28/50/1129422850.db2.gz HZBVGJKOGMJTHN-UHFFFAOYSA-N 1 1 277.456 3.919 20 30 CHEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093844916 1129428446 /nfs/dbraw/zinc/42/84/46/1129428446.db2.gz RNXKEZFJCGDKCJ-GJZGRUSLSA-N 1 1 274.408 3.845 20 30 CHEDMO C=C(C)COC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000741336947 1129433937 /nfs/dbraw/zinc/43/39/37/1129433937.db2.gz YSZQCDNNRIDVQC-UHFFFAOYSA-N 1 1 275.392 3.651 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000828041021 1131376530 /nfs/dbraw/zinc/37/65/30/1131376530.db2.gz OHDXRRDCUVPRKD-CABCVRRESA-N 1 1 263.381 3.524 20 30 CHEDMO CCCCCCCCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000742840777 1129502485 /nfs/dbraw/zinc/50/24/85/1129502485.db2.gz BARXSGSNRWVQMM-MRXNPFEDSA-N 1 1 282.472 3.584 20 30 CHEDMO CC(C)C#CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000822442089 1131380126 /nfs/dbraw/zinc/38/01/26/1131380126.db2.gz ZAISGKHICPYRTM-MRXNPFEDSA-N 1 1 298.430 3.516 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000645949189 1129514375 /nfs/dbraw/zinc/51/43/75/1129514375.db2.gz QLQFXXVYMRHKEQ-JKSUJKDBSA-N 1 1 251.414 3.624 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000645982279 1129516470 /nfs/dbraw/zinc/51/64/70/1129516470.db2.gz ZMOAEDHCOUNXIJ-KRWDZBQOSA-N 1 1 296.801 3.576 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000743854329 1129540154 /nfs/dbraw/zinc/54/01/54/1129540154.db2.gz UFEXJUYGHQMDOX-HNNXBMFYSA-N 1 1 264.800 3.642 20 30 CHEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000743854871 1129540674 /nfs/dbraw/zinc/54/06/74/1129540674.db2.gz QGYOLRZMJHFMTO-HZMBPMFUSA-N 1 1 253.748 3.961 20 30 CHEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000743854871 1129540673 /nfs/dbraw/zinc/54/06/73/1129540673.db2.gz QGYOLRZMJHFMTO-HZMBPMFUSA-N 1 1 253.748 3.961 20 30 CHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000744414252 1129576324 /nfs/dbraw/zinc/57/63/24/1129576324.db2.gz LAFACXLUQHEBRL-CRAIPNDOSA-N 1 1 286.419 3.990 20 30 CHEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001258725790 1129583659 /nfs/dbraw/zinc/58/36/59/1129583659.db2.gz NEXLWZDPEFEKDB-LSDHHAIUSA-N 1 1 259.393 3.839 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000822525277 1131385298 /nfs/dbraw/zinc/38/52/98/1131385298.db2.gz DBQMZDMXPKTRLF-CQSZACIVSA-N 1 1 292.382 3.781 20 30 CHEDMO Cc1nc(F)ccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000822525552 1131384316 /nfs/dbraw/zinc/38/43/16/1131384316.db2.gz HYYCWQLRGFAEFW-CYBMUJFWSA-N 1 1 283.350 3.594 20 30 CHEDMO C=CCC[C@@H](C)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001258732807 1129623635 /nfs/dbraw/zinc/62/36/35/1129623635.db2.gz QKTYZHZPQMFNRF-SJORKVTESA-N 1 1 272.436 3.547 20 30 CHEDMO C#CC[N@H+](Cc1ccc2cc(OC)ccc2c1)C(C)C ZINC000746147730 1129627538 /nfs/dbraw/zinc/62/75/38/1129627538.db2.gz PWUOUYPSUVVTTE-UHFFFAOYSA-N 1 1 267.372 3.692 20 30 CHEDMO C=CCC[C@H](C)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001258733596 1129641241 /nfs/dbraw/zinc/64/12/41/1129641241.db2.gz JGXKZGIHMHFWAM-JOYOIKCWSA-N 1 1 273.302 3.698 20 30 CHEDMO C#Cc1ccc(Nc2ccc([NH+](CC)CC)cc2)cn1 ZINC001212970144 1129642638 /nfs/dbraw/zinc/64/26/38/1129642638.db2.gz ZEWDTFGLQQGHEX-UHFFFAOYSA-N 1 1 265.360 3.653 20 30 CHEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c(O)c(OC)c1 ZINC000766379132 1129660225 /nfs/dbraw/zinc/66/02/25/1129660225.db2.gz AAHSPIVTSCEWFU-KBPBESRZSA-N 1 1 289.419 3.607 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000828536827 1131389707 /nfs/dbraw/zinc/38/97/07/1131389707.db2.gz MYEPUYANMPWVJS-KSSFIOAISA-N 1 1 277.371 3.536 20 30 CHEDMO FC1(F)CC12CC[NH+](CC#Cc1ccccc1Cl)CC2 ZINC000649773744 1129676521 /nfs/dbraw/zinc/67/65/21/1129676521.db2.gz DZHNXBDBXPDUMH-UHFFFAOYSA-N 1 1 295.760 3.813 20 30 CHEDMO C=CC[N@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001168879473 1129681246 /nfs/dbraw/zinc/68/12/46/1129681246.db2.gz GLLCOZYBUGEURB-ZIAGYGMSSA-N 1 1 296.455 3.671 20 30 CHEDMO C=CCCCC[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001168991140 1129690109 /nfs/dbraw/zinc/69/01/09/1129690109.db2.gz ARMLJTPBWAEWJC-IBGZPJMESA-N 1 1 286.463 3.939 20 30 CHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC001169012784 1129690130 /nfs/dbraw/zinc/69/01/30/1129690130.db2.gz ASNDEFZRWKENBM-LJQANCHMSA-N 1 1 276.383 3.895 20 30 CHEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001169353790 1129723652 /nfs/dbraw/zinc/72/36/52/1129723652.db2.gz QHOUWFOLOYKKRS-HNNXBMFYSA-N 1 1 296.455 3.532 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)c(F)c1 ZINC000828692650 1131396168 /nfs/dbraw/zinc/39/61/68/1131396168.db2.gz JPOUOGNWNDTUSK-SNVBAGLBSA-N 1 1 266.747 3.824 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC001169481179 1129729133 /nfs/dbraw/zinc/72/91/33/1129729133.db2.gz BTTPWINKNKGOAV-WMZOPIPTSA-N 1 1 275.436 3.829 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC001169542325 1129734809 /nfs/dbraw/zinc/73/48/09/1129734809.db2.gz ZKERJFOGNAPHSA-INIZCTEOSA-N 1 1 282.472 3.680 20 30 CHEDMO CC(C)[Si](C#CNCC[C@H]1CCC[NH2+]1)(C(C)C)C(C)C ZINC001169564588 1129737067 /nfs/dbraw/zinc/73/70/67/1129737067.db2.gz RPEWONIGYFTOHA-QGZVFWFLSA-N 1 1 294.559 3.897 20 30 CHEDMO N#CC12CCC(Nc3cc(OC(F)F)cc[nH+]3)(CC1)CC2 ZINC001169752286 1129752776 /nfs/dbraw/zinc/75/27/76/1129752776.db2.gz SCYXCGYHMAAMET-UHFFFAOYSA-N 1 1 293.317 3.711 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1Cl ZINC001169864703 1129762746 /nfs/dbraw/zinc/76/27/46/1129762746.db2.gz QYOXLJVRPCYOMU-CQSZACIVSA-N 1 1 293.794 3.667 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1Cl ZINC001169864703 1129762748 /nfs/dbraw/zinc/76/27/48/1129762748.db2.gz QYOXLJVRPCYOMU-CQSZACIVSA-N 1 1 293.794 3.667 20 30 CHEDMO CCCCCCC[N@@H+](CC)[C@H]1CCCC2(C1)OCCO2 ZINC001169948595 1129766861 /nfs/dbraw/zinc/76/68/61/1129766861.db2.gz IWCZNPZVAJKJJR-INIZCTEOSA-N 1 1 283.456 3.964 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000766896426 1129768688 /nfs/dbraw/zinc/76/86/88/1129768688.db2.gz OGWSTDFSPOKSAB-KRWDZBQOSA-N 1 1 257.377 3.636 20 30 CHEDMO C#CCCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000766896393 1129769220 /nfs/dbraw/zinc/76/92/20/1129769220.db2.gz NKRIJKCDQRVDFW-XJKSGUPXSA-N 1 1 257.377 3.781 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000766895334 1129769258 /nfs/dbraw/zinc/76/92/58/1129769258.db2.gz FHNXVDYUBZHARO-HNNXBMFYSA-N 1 1 277.795 3.597 20 30 CHEDMO C#CCCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000766896756 1129769295 /nfs/dbraw/zinc/76/92/95/1129769295.db2.gz SXNSRXSZYYAAFU-UHFFFAOYSA-N 1 1 255.283 3.551 20 30 CHEDMO C#CCCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000766923546 1129769795 /nfs/dbraw/zinc/76/97/95/1129769795.db2.gz ZMIGBUWKNMXBKU-UHFFFAOYSA-N 1 1 278.399 3.806 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)cc(C)c1F ZINC000828698928 1131396921 /nfs/dbraw/zinc/39/69/21/1131396921.db2.gz POUDQOOEVXWRAQ-ZDUSSCGKSA-N 1 1 260.356 3.787 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796576089 1129784182 /nfs/dbraw/zinc/78/41/82/1129784182.db2.gz RSPNCMVWLRNNHC-INIZCTEOSA-N 1 1 286.419 3.847 20 30 CHEDMO Cc1[nH+]c(NC/C=C/c2ccccc2)ccc1CC#N ZINC001156467758 1129788415 /nfs/dbraw/zinc/78/84/15/1129788415.db2.gz KAGZSGOIFPEPTE-VMPITWQZSA-N 1 1 263.344 3.581 20 30 CHEDMO C=CCCC[C@@H](C)[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810899 1129796443 /nfs/dbraw/zinc/79/64/43/1129796443.db2.gz ULXZHHHEUMCLTF-OAHLLOKOSA-N 1 1 252.446 3.537 20 30 CHEDMO C=C(Br)C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000796608698 1129817762 /nfs/dbraw/zinc/81/77/62/1129817762.db2.gz FJDKXSOBTCRBCL-AWEZNQCLSA-N 1 1 298.199 3.698 20 30 CHEDMO C=C(Br)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000796608698 1129817765 /nfs/dbraw/zinc/81/77/65/1129817765.db2.gz FJDKXSOBTCRBCL-AWEZNQCLSA-N 1 1 298.199 3.698 20 30 CHEDMO CCCCCCCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000767912080 1129822167 /nfs/dbraw/zinc/82/21/67/1129822167.db2.gz MKEYBLWGMDPWEF-HUUCEWRRSA-N 1 1 271.470 3.553 20 30 CHEDMO C=CC[C@@H]([NH2+][C@H](C)c1cscn1)c1ccncc1 ZINC000768103579 1129831286 /nfs/dbraw/zinc/83/12/86/1129831286.db2.gz HFJYEGIJFDKDMJ-DGCLKSJQSA-N 1 1 259.378 3.506 20 30 CHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc3sccc3c2)no1 ZINC000822808795 1131401213 /nfs/dbraw/zinc/40/12/13/1131401213.db2.gz YTXKGAXFCFQZEC-LBPRGKRZSA-N 1 1 298.371 3.645 20 30 CHEDMO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768250586 1129846444 /nfs/dbraw/zinc/84/64/44/1129846444.db2.gz WBDJHBMBNLLZPT-HNNXBMFYSA-N 1 1 298.386 3.981 20 30 CHEDMO C#CCOc1ccccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000768252022 1129847694 /nfs/dbraw/zinc/84/76/94/1129847694.db2.gz GVIRBPALIOKLKF-UHFFFAOYSA-N 1 1 297.423 3.925 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768316260 1129852785 /nfs/dbraw/zinc/85/27/85/1129852785.db2.gz BNNJCZGJBMDQAO-PBHICJAKSA-N 1 1 272.392 3.598 20 30 CHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NNC2CCCC2)C3)cc1 ZINC000768364838 1129853393 /nfs/dbraw/zinc/85/33/93/1129853393.db2.gz OXVOMWSAMFUTNV-KDURUIRLSA-N 1 1 297.446 3.702 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccncc1 ZINC000772864502 1131402650 /nfs/dbraw/zinc/40/26/50/1131402650.db2.gz JKHKJLZLZFIGPE-SMDDNHRTSA-N 1 1 273.405 3.815 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(C#N)c1 ZINC001137697913 1131402801 /nfs/dbraw/zinc/40/28/01/1131402801.db2.gz BDVVMNHJXVLGFN-KRWDZBQOSA-N 1 1 292.382 3.556 20 30 CHEDMO C=CC[N@H+](Cc1cccc(OC)c1OC(F)F)C(C)C ZINC000768548159 1129863639 /nfs/dbraw/zinc/86/36/39/1129863639.db2.gz XHWGLKYCWPMQNA-UHFFFAOYSA-N 1 1 285.334 3.693 20 30 CHEDMO C[C@@H]([N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC000768543428 1129864282 /nfs/dbraw/zinc/86/42/82/1129864282.db2.gz JHASXOOLQJPLAK-OAHLLOKOSA-N 1 1 287.451 3.903 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC1 ZINC000768672417 1129868373 /nfs/dbraw/zinc/86/83/73/1129868373.db2.gz DASUPFPRLBYESC-AWEZNQCLSA-N 1 1 272.392 3.598 20 30 CHEDMO C#CCCC[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466417 1129875279 /nfs/dbraw/zinc/87/52/79/1129875279.db2.gz AAFMZFVQPLFLFZ-INIZCTEOSA-N 1 1 286.419 3.529 20 30 CHEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(C#N)c1 ZINC001137703550 1131404168 /nfs/dbraw/zinc/40/41/68/1131404168.db2.gz OGULDAOLGZYEHM-MRXNPFEDSA-N 1 1 298.411 3.965 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)c(C#N)c1 ZINC001137703550 1131404171 /nfs/dbraw/zinc/40/41/71/1131404171.db2.gz OGULDAOLGZYEHM-MRXNPFEDSA-N 1 1 298.411 3.965 20 30 CHEDMO CCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137704729 1131404250 /nfs/dbraw/zinc/40/42/50/1131404250.db2.gz RXQYIHDIXNGVRF-UHFFFAOYSA-N 1 1 294.398 3.761 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137704729 1131404255 /nfs/dbraw/zinc/40/42/55/1131404255.db2.gz RXQYIHDIXNGVRF-UHFFFAOYSA-N 1 1 294.398 3.761 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000769335625 1129902814 /nfs/dbraw/zinc/90/28/14/1129902814.db2.gz PKFRLTMGXLRPLT-UHFFFAOYSA-N 1 1 286.419 3.869 20 30 CHEDMO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cc(C#N)cs1 ZINC000769482777 1129909664 /nfs/dbraw/zinc/90/96/64/1129909664.db2.gz IAOVREUIIDAEHJ-UHFFFAOYSA-N 1 1 281.384 3.733 20 30 CHEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cc(C#N)cs1 ZINC000769482777 1129909667 /nfs/dbraw/zinc/90/96/67/1129909667.db2.gz IAOVREUIIDAEHJ-UHFFFAOYSA-N 1 1 281.384 3.733 20 30 CHEDMO C#CC[N@H+](Cc1cnc(CC(C)C)s1)C1CCCC1 ZINC000769531400 1129915376 /nfs/dbraw/zinc/91/53/76/1129915376.db2.gz RYALGFSFSYCLRX-UHFFFAOYSA-N 1 1 276.449 3.719 20 30 CHEDMO C#C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000801545120 1129926377 /nfs/dbraw/zinc/92/63/77/1129926377.db2.gz ZPPIYAUWDSHZJJ-RBUKOAKNSA-N 1 1 291.394 3.546 20 30 CHEDMO C#C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000801545119 1129926432 /nfs/dbraw/zinc/92/64/32/1129926432.db2.gz ZPPIYAUWDSHZJJ-OALUTQOASA-N 1 1 291.394 3.546 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769896259 1129929102 /nfs/dbraw/zinc/92/91/02/1129929102.db2.gz GMSQGTINMKAVDU-CHWSQXEVSA-N 1 1 281.362 3.592 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000769962090 1129931656 /nfs/dbraw/zinc/93/16/56/1129931656.db2.gz BCHMJNXSLJOLMD-ZDUSSCGKSA-N 1 1 299.336 3.818 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000769978406 1129934043 /nfs/dbraw/zinc/93/40/43/1129934043.db2.gz XYMNMJMPEPYTIR-SCXUMTSISA-N 1 1 292.220 3.806 20 30 CHEDMO Cc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)c(C#N)c1 ZINC001242593372 1129947140 /nfs/dbraw/zinc/94/71/40/1129947140.db2.gz MZSWFFMPLZVPNZ-UHFFFAOYSA-N 1 1 262.356 3.522 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC12CCC2 ZINC000771465805 1129982894 /nfs/dbraw/zinc/98/28/94/1129982894.db2.gz VNNPKVIXDCTVHH-HNNXBMFYSA-N 1 1 284.403 3.601 20 30 CHEDMO CC(C)CCC(=[NH+]n1cc(Br)cn1)C1CC1 ZINC000802711918 1130031370 /nfs/dbraw/zinc/03/13/70/1130031370.db2.gz BKBAGKWIRZOPKI-UHFFFAOYSA-N 1 1 284.201 3.696 20 30 CHEDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792797 1130058702 /nfs/dbraw/zinc/05/87/02/1130058702.db2.gz DKIKGEQTLBJICX-IEBWSBKVSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792797 1130058707 /nfs/dbraw/zinc/05/87/07/1130058707.db2.gz DKIKGEQTLBJICX-IEBWSBKVSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792797 1130058713 /nfs/dbraw/zinc/05/87/13/1130058713.db2.gz DKIKGEQTLBJICX-IEBWSBKVSA-N 1 1 299.462 3.719 20 30 CHEDMO Cc1cccnc1[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902806306 1130061311 /nfs/dbraw/zinc/06/13/11/1130061311.db2.gz JUWAKLUGFFRYBL-RHSMWYFYSA-N 1 1 294.402 3.705 20 30 CHEDMO N#Cc1cc(F)ccc1CO[NH+]=C(N)C1CCCCCC1 ZINC000746564529 1130067042 /nfs/dbraw/zinc/06/70/42/1130067042.db2.gz JFXAKHHXRRQPKB-UHFFFAOYSA-N 1 1 289.354 3.666 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000785997277 1130072576 /nfs/dbraw/zinc/07/25/76/1130072576.db2.gz KKCFLALMXPAXIE-IUODEOHRSA-N 1 1 283.774 3.553 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000785997760 1130073248 /nfs/dbraw/zinc/07/32/48/1130073248.db2.gz RZBRCBSVQKUQQB-OAHLLOKOSA-N 1 1 283.371 3.642 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1cccc(C#N)c1 ZINC000902889332 1130079062 /nfs/dbraw/zinc/07/90/62/1130079062.db2.gz HHNQLZQWJDQUKB-SWLSCSKDSA-N 1 1 297.406 3.602 20 30 CHEDMO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cc(C#N)ccn1 ZINC000903065719 1130107921 /nfs/dbraw/zinc/10/79/21/1130107921.db2.gz XXWKHLIZAHBFHP-ACJLOTCBSA-N 1 1 292.386 3.540 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000903099920 1130111259 /nfs/dbraw/zinc/11/12/59/1130111259.db2.gz BZOVCIWQXDUFHO-CYBMUJFWSA-N 1 1 298.308 3.712 20 30 CHEDMO COc1ccc2oc([C@@H](C)[NH2+]CC(C)(C)C#N)c(C)c2c1 ZINC000903100749 1130112167 /nfs/dbraw/zinc/11/21/67/1130112167.db2.gz WWPFAKFWRUXYGH-GFCCVEGCSA-N 1 1 286.375 3.950 20 30 CHEDMO CCSc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100603 1130112271 /nfs/dbraw/zinc/11/22/71/1130112271.db2.gz UMFAIRHFJICNKG-GFCCVEGCSA-N 1 1 262.422 3.999 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H](CCc1ccccc1)c1cccnc1 ZINC000903101684 1130112353 /nfs/dbraw/zinc/11/23/53/1130112353.db2.gz KXDVXVUXNFKKGT-GOSISDBHSA-N 1 1 293.414 3.895 20 30 CHEDMO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1OCC ZINC000903100356 1130112361 /nfs/dbraw/zinc/11/23/61/1130112361.db2.gz ORLLQGSQFWTHCL-ZDUSSCGKSA-N 1 1 290.407 3.684 20 30 CHEDMO CC(C)[C@H]([NH2+]CC(C)(C)C#N)c1cc(F)ccc1F ZINC000903101887 1130112691 /nfs/dbraw/zinc/11/26/91/1130112691.db2.gz OPXSWKRPZAMJKA-AWEZNQCLSA-N 1 1 266.335 3.801 20 30 CHEDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107668 1130113496 /nfs/dbraw/zinc/11/34/96/1130113496.db2.gz AWZGZCZBUFPXGB-AWEZNQCLSA-N 1 1 272.392 3.738 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)cc1F ZINC000903107681 1130113698 /nfs/dbraw/zinc/11/36/98/1130113698.db2.gz BHDVZMQILQWLTR-LBPRGKRZSA-N 1 1 276.355 3.569 20 30 CHEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCCS2 ZINC000903106880 1130113756 /nfs/dbraw/zinc/11/37/56/1130113756.db2.gz XUBZESIIPFPYED-AWEZNQCLSA-N 1 1 288.416 3.516 20 30 CHEDMO CCCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903105881 1130113873 /nfs/dbraw/zinc/11/38/73/1130113873.db2.gz IIDDNZHLSULZBR-AWEZNQCLSA-N 1 1 272.392 3.820 20 30 CHEDMO COc1ccccc1[C@H]([NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000903106825 1130113942 /nfs/dbraw/zinc/11/39/42/1130113942.db2.gz WGULZMYMMAVCRU-QGZVFWFLSA-N 1 1 284.403 3.820 20 30 CHEDMO COC[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(Cl)c1 ZINC000903108999 1130115000 /nfs/dbraw/zinc/11/50/00/1130115000.db2.gz KASVNUTUHJQAAQ-HNNXBMFYSA-N 1 1 292.810 3.701 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC001461956955 1130131543 /nfs/dbraw/zinc/13/15/43/1130131543.db2.gz GROFLLBOERNBFL-UHFFFAOYSA-N 1 1 274.364 3.712 20 30 CHEDMO C=C(Cl)C[N@@H+](CCOC)Cc1ccc(C)cc1C ZINC000746657032 1130136078 /nfs/dbraw/zinc/13/60/78/1130136078.db2.gz CSFZDOXXZFIHSQ-UHFFFAOYSA-N 1 1 267.800 3.504 20 30 CHEDMO C=C(Cl)C[N@H+](CCOC)Cc1ccc(C)cc1C ZINC000746657032 1130136079 /nfs/dbraw/zinc/13/60/79/1130136079.db2.gz CSFZDOXXZFIHSQ-UHFFFAOYSA-N 1 1 267.800 3.504 20 30 CHEDMO C#CC[N@@H+](Cc1sccc1Cl)C1CCCC1 ZINC000787199185 1130139132 /nfs/dbraw/zinc/13/91/32/1130139132.db2.gz LJPIRGCWLKPHKP-UHFFFAOYSA-N 1 1 253.798 3.779 20 30 CHEDMO C#CC[N@H+](Cc1sccc1Cl)C1CCCC1 ZINC000787199185 1130139134 /nfs/dbraw/zinc/13/91/34/1130139134.db2.gz LJPIRGCWLKPHKP-UHFFFAOYSA-N 1 1 253.798 3.779 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc2cccc(OC)c2o1 ZINC000787309660 1130146630 /nfs/dbraw/zinc/14/66/30/1130146630.db2.gz KZPMEMMFDOLOMB-AWEZNQCLSA-N 1 1 271.360 3.982 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000787337713 1130147837 /nfs/dbraw/zinc/14/78/37/1130147837.db2.gz PZABYLDMKLUKGF-AWEZNQCLSA-N 1 1 272.392 3.742 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000753575050 1130219286 /nfs/dbraw/zinc/21/92/86/1130219286.db2.gz FVVOKAFWJVYLPS-CVEARBPZSA-N 1 1 284.403 3.766 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](OC)C1CCCCC1 ZINC001170094149 1130221058 /nfs/dbraw/zinc/22/10/58/1130221058.db2.gz GKSKGNBVUBZGFC-LJQANCHMSA-N 1 1 285.431 3.717 20 30 CHEDMO Cc1csc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001137291385 1130305821 /nfs/dbraw/zinc/30/58/21/1130305821.db2.gz QIYTUFZZJDNMKM-NSHDSACASA-N 1 1 268.813 3.836 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1 ZINC000789586371 1130261211 /nfs/dbraw/zinc/26/12/11/1130261211.db2.gz NEBTUXGSFWVJIY-FXUDXRNXSA-N 1 1 286.419 3.844 20 30 CHEDMO N#CCC[N@H+](Cc1cnc2ccccc2c1)C1CCCC1 ZINC001137282217 1130286211 /nfs/dbraw/zinc/28/62/11/1130286211.db2.gz LIEIPQUIHMASPY-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO N#CCC[N@@H+](Cc1cnc2ccccc2c1)C1CCCC1 ZINC001137282217 1130286214 /nfs/dbraw/zinc/28/62/14/1130286214.db2.gz LIEIPQUIHMASPY-UHFFFAOYSA-N 1 1 279.387 3.893 20 30 CHEDMO CC[C@H](C)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000790184504 1130295076 /nfs/dbraw/zinc/29/50/76/1130295076.db2.gz WTQCJOSKGBVWMX-JCGIZDLHSA-N 1 1 285.435 3.558 20 30 CHEDMO COc1cccc2cc(C[N@H+]3CCC[C@H](CC#N)C3)oc21 ZINC000826862208 1130297823 /nfs/dbraw/zinc/29/78/23/1130297823.db2.gz WYFVSUPKRYJQLT-CYBMUJFWSA-N 1 1 284.359 3.567 20 30 CHEDMO C[C@@H](C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C(C)(C)C ZINC000826881881 1130306127 /nfs/dbraw/zinc/30/61/27/1130306127.db2.gz GADDTGGPMPBLAZ-YJBOKZPZSA-N 1 1 285.435 3.621 20 30 CHEDMO C=CCCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790990235 1130341059 /nfs/dbraw/zinc/34/10/59/1130341059.db2.gz JYHDHZZZHXLUCD-UHFFFAOYSA-N 1 1 257.736 3.631 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000678239399 1130375608 /nfs/dbraw/zinc/37/56/08/1130375608.db2.gz BGHPKRZYVKIFIU-MRXNPFEDSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCO[C@H](CC)C1 ZINC001170241399 1130466402 /nfs/dbraw/zinc/46/64/02/1130466402.db2.gz WHOUVBRKTBDWPY-JKSUJKDBSA-N 1 1 251.414 3.765 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001170293058 1130475598 /nfs/dbraw/zinc/47/55/98/1130475598.db2.gz JVOBNJWDOAIHHL-IUODEOHRSA-N 1 1 262.784 3.507 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC001170293058 1130475602 /nfs/dbraw/zinc/47/56/02/1130475602.db2.gz JVOBNJWDOAIHHL-IUODEOHRSA-N 1 1 262.784 3.507 20 30 CHEDMO CC[N@H+](CCC#N)[C@@H](C)Cc1ccccc1Cl ZINC001170284467 1130479355 /nfs/dbraw/zinc/47/93/55/1130479355.db2.gz NUVODOMCIGDIHZ-LBPRGKRZSA-N 1 1 250.773 3.507 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H](C)Cc1ccccc1Cl ZINC001170284467 1130479357 /nfs/dbraw/zinc/47/93/57/1130479357.db2.gz NUVODOMCIGDIHZ-LBPRGKRZSA-N 1 1 250.773 3.507 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170286618 1130479788 /nfs/dbraw/zinc/47/97/88/1130479788.db2.gz CXIUFOCXOHNZEG-ZIAGYGMSSA-N 1 1 261.796 3.616 20 30 CHEDMO Cc1cccc(N=NC(C)C[NH+]2Cc3ccccc3C2)c1 ZINC000792632161 1130482405 /nfs/dbraw/zinc/48/24/05/1130482405.db2.gz UIAWFORSCKEJPL-UHFFFAOYSA-N 1 1 279.387 3.799 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001170386927 1130488374 /nfs/dbraw/zinc/48/83/74/1130488374.db2.gz OLZVLKGMHNABGU-UOLGJIMMSA-N 1 1 298.405 3.823 20 30 CHEDMO C=CCCCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796944709 1130489620 /nfs/dbraw/zinc/48/96/20/1130489620.db2.gz FDJKBTVDAGJJEO-CQSZACIVSA-N 1 1 251.345 3.928 20 30 CHEDMO C#CC[N@@H+](Cc1ccnn1C(C)C)[C@H]1CCc2ccccc21 ZINC000792763606 1130497230 /nfs/dbraw/zinc/49/72/30/1130497230.db2.gz WECVFXCYTCWKIR-IBGZPJMESA-N 1 1 293.414 3.587 20 30 CHEDMO C#CC[N@H+](Cc1ccnn1C(C)C)[C@H]1CCc2ccccc21 ZINC000792763606 1130497233 /nfs/dbraw/zinc/49/72/33/1130497233.db2.gz WECVFXCYTCWKIR-IBGZPJMESA-N 1 1 293.414 3.587 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001255157999 1130506298 /nfs/dbraw/zinc/50/62/98/1130506298.db2.gz BNPKKDLKWGJWSX-CQSZACIVSA-N 1 1 260.381 3.646 20 30 CHEDMO Cc1ccccc1[C@H](C)[N@H+](CCO[C@H](C)C#N)CC(C)C ZINC000792923194 1130507508 /nfs/dbraw/zinc/50/75/08/1130507508.db2.gz BJWKQTUVNOTMIG-SJORKVTESA-N 1 1 288.435 3.943 20 30 CHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C(C)(C)c1ccccc1 ZINC000792924891 1130507599 /nfs/dbraw/zinc/50/75/99/1130507599.db2.gz JHOMFHLYUWEQJM-UHFFFAOYSA-N 1 1 294.398 3.956 20 30 CHEDMO CC[C@H](C)CO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000793161102 1130522779 /nfs/dbraw/zinc/52/27/79/1130522779.db2.gz ZYKAKCJTGFQYFQ-VIFPVBQESA-N 1 1 254.761 3.709 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000827270770 1130538286 /nfs/dbraw/zinc/53/82/86/1130538286.db2.gz FUYPKXBZTAMPIT-MRXNPFEDSA-N 1 1 289.394 3.660 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000793395690 1130553299 /nfs/dbraw/zinc/55/32/99/1130553299.db2.gz RJAKBGANDOGNBY-UHFFFAOYSA-N 1 1 283.415 3.853 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001137393867 1130565953 /nfs/dbraw/zinc/56/59/53/1130565953.db2.gz MHRHLRVRIVGCKX-INIZCTEOSA-N 1 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VIXDKNZDAPGGSL-MRXNPFEDSA-N 1 1 273.738 3.943 20 30 CHEDMO CC[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000758748985 1130624233 /nfs/dbraw/zinc/62/42/33/1130624233.db2.gz SJYQNCJZOHDVAU-MRXNPFEDSA-N 1 1 292.810 3.864 20 30 CHEDMO C=C(C)CNN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000811651488 1130628582 /nfs/dbraw/zinc/62/85/82/1130628582.db2.gz ZSRNXKSLEQYCBK-UHFFFAOYSA-N 1 1 285.435 3.583 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001234299254 1130632476 /nfs/dbraw/zinc/63/24/76/1130632476.db2.gz PUZZYCCAUKYSSL-UHFFFAOYSA-N 1 1 282.362 3.659 20 30 CHEDMO CCC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000759203232 1130644038 /nfs/dbraw/zinc/64/40/38/1130644038.db2.gz WZWWISOIQGSQER-UHFFFAOYSA-N 1 1 292.386 3.850 20 30 CHEDMO CCOC(=O)C(CC)(CC)[NH2+]CCCCC1(C#N)CCC1 ZINC001170670084 1130674776 /nfs/dbraw/zinc/67/47/76/1130674776.db2.gz RVJYIJIPMDCQIP-UHFFFAOYSA-N 1 1 294.439 3.562 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001234854516 1130683315 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ZINC000783294208 1130812557 /nfs/dbraw/zinc/81/25/57/1130812557.db2.gz MWBDTBATPNQUOR-ZDUSSCGKSA-N 1 1 297.427 3.916 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CCN2 ZINC001235961332 1130818510 /nfs/dbraw/zinc/81/85/10/1130818510.db2.gz AAMUFLVNMRJDJO-UHFFFAOYSA-N 1 1 278.399 3.843 20 30 CHEDMO CCCCCCCCCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000814143645 1130831346 /nfs/dbraw/zinc/83/13/46/1130831346.db2.gz AJMAKBZXPQKVAD-IAGOWNOFSA-N 1 1 294.483 3.680 20 30 CHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000783718768 1130851421 /nfs/dbraw/zinc/85/14/21/1130851421.db2.gz ROKQPHBXYAPPAG-RDJZCZTQSA-N 1 1 286.419 3.845 20 30 CHEDMO C=CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000217243591 1130925568 /nfs/dbraw/zinc/92/55/68/1130925568.db2.gz OMAMIGRGAFODFF-UHFFFAOYSA-N 1 1 280.209 3.815 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000815101958 1130961032 /nfs/dbraw/zinc/96/10/32/1130961032.db2.gz DMQPNJZRKPDTFS-UHFFFAOYSA-N 1 1 258.409 3.611 20 30 CHEDMO Cc1cc2[nH]ccc2c(-c2ccc(C#N)cc2F)[nH+]1 ZINC001236526036 1130964736 /nfs/dbraw/zinc/96/47/36/1130964736.db2.gz BBRPFKOLPQKMPF-UHFFFAOYSA-N 1 1 251.264 3.549 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815143415 1130966341 /nfs/dbraw/zinc/96/63/41/1130966341.db2.gz KJSZMHOTOJASBZ-KRWDZBQOSA-N 1 1 266.473 3.765 20 30 CHEDMO CCCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815143415 1130966345 /nfs/dbraw/zinc/96/63/45/1130966345.db2.gz KJSZMHOTOJASBZ-KRWDZBQOSA-N 1 1 266.473 3.765 20 30 CHEDMO CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815143415 1130966352 /nfs/dbraw/zinc/96/63/52/1130966352.db2.gz KJSZMHOTOJASBZ-KRWDZBQOSA-N 1 1 266.473 3.765 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815143415 1130966355 /nfs/dbraw/zinc/96/63/55/1130966355.db2.gz KJSZMHOTOJASBZ-KRWDZBQOSA-N 1 1 266.473 3.765 20 30 CHEDMO CCCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCC[C@H](C)C1 ZINC000815196603 1130969644 /nfs/dbraw/zinc/96/96/44/1130969644.db2.gz QNVAQQGLBVOGIF-ARFHVFGLSA-N 1 1 266.429 3.596 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(F)c(O)c1 ZINC001236706080 1130995564 /nfs/dbraw/zinc/99/55/64/1130995564.db2.gz SCRHMYGZVKGXKD-UHFFFAOYSA-N 1 1 253.361 3.934 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1O ZINC001236812093 1131012346 /nfs/dbraw/zinc/01/23/46/1131012346.db2.gz ZHLOULFCPDEQMR-UHFFFAOYSA-N 1 1 297.398 3.897 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000798187165 1131027697 /nfs/dbraw/zinc/02/76/97/1131027697.db2.gz UVQGQXDTCJFGHA-GOSISDBHSA-N 1 1 295.382 3.744 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c2ccoc21 ZINC001236899980 1131029599 /nfs/dbraw/zinc/02/95/99/1131029599.db2.gz WMSRRELIZLWUBN-DEZZGGKRSA-N 1 1 284.334 3.838 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OC(C)(C)C)C1 ZINC001237031184 1131038599 /nfs/dbraw/zinc/03/85/99/1131038599.db2.gz JHJRGAMLYRSMDK-HNNXBMFYSA-N 1 1 271.404 3.709 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237110518 1131049624 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KWLNQCHRDWWQQV-CQSZACIVSA-N 1 1 270.367 3.828 20 30 CHEDMO CCCOc1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139001981 1131570872 /nfs/dbraw/zinc/57/08/72/1131570872.db2.gz OQHMNOITNHYENI-OAHLLOKOSA-N 1 1 272.392 3.601 20 30 CHEDMO CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001139009517 1131571677 /nfs/dbraw/zinc/57/16/77/1131571677.db2.gz OMCWNZZUKGETMT-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139009517 1131571679 /nfs/dbraw/zinc/57/16/79/1131571679.db2.gz OMCWNZZUKGETMT-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001139028935 1131573505 /nfs/dbraw/zinc/57/35/05/1131573505.db2.gz JTOCDTPLWDHJNF-OAHLLOKOSA-N 1 1 263.356 3.575 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001139029184 1131574926 /nfs/dbraw/zinc/57/49/26/1131574926.db2.gz QWLRKYANJLALFK-HIFRSBDPSA-N 1 1 293.357 3.729 20 30 CHEDMO COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001139035639 1131575094 /nfs/dbraw/zinc/57/50/94/1131575094.db2.gz CVJCUWPFZKVDFZ-MRXNPFEDSA-N 1 1 292.382 3.708 20 30 CHEDMO COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001139035639 1131575095 /nfs/dbraw/zinc/57/50/95/1131575095.db2.gz CVJCUWPFZKVDFZ-MRXNPFEDSA-N 1 1 292.382 3.708 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](CC)Cc1ccccc1O ZINC001139030011 1131575149 /nfs/dbraw/zinc/57/51/49/1131575149.db2.gz BXEWNPRJKNFCLZ-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO C[N@@H+](Cc1ccc2ccccc2c1)Cc1cncc(C#N)c1 ZINC001144084576 1131581637 /nfs/dbraw/zinc/58/16/37/1131581637.db2.gz HMHARSFGZYABMP-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc3cccnc3c1)C2 ZINC001139167220 1131590816 /nfs/dbraw/zinc/59/08/16/1131590816.db2.gz WFVOOZAIHXFJFM-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(CC)c1O ZINC001144151571 1131592508 /nfs/dbraw/zinc/59/25/08/1131592508.db2.gz YLOMGPISQXNJMU-AWEZNQCLSA-N 1 1 286.419 3.643 20 30 CHEDMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC001144160252 1131593938 /nfs/dbraw/zinc/59/39/38/1131593938.db2.gz CLCMRHRFMSDHBY-UHFFFAOYSA-N 1 1 279.387 3.756 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001139246619 1131599204 /nfs/dbraw/zinc/59/92/04/1131599204.db2.gz GEPYPJYILODNEC-MRXNPFEDSA-N 1 1 292.382 3.719 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001139281168 1131601067 /nfs/dbraw/zinc/60/10/67/1131601067.db2.gz GZVGTQJWGZHGEE-CYBMUJFWSA-N 1 1 299.805 3.575 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001139281168 1131601069 /nfs/dbraw/zinc/60/10/69/1131601069.db2.gz GZVGTQJWGZHGEE-CYBMUJFWSA-N 1 1 299.805 3.575 20 30 CHEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC001139530540 1131613681 /nfs/dbraw/zinc/61/36/81/1131613681.db2.gz OLUPRDYOZGPHRQ-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(OCC)c(Cl)c1 ZINC001139594982 1131619269 /nfs/dbraw/zinc/61/92/69/1131619269.db2.gz FJYXHBFHSMTTMR-UHFFFAOYSA-N 1 1 280.799 3.864 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCC)c(Cl)c1 ZINC001139594982 1131619270 /nfs/dbraw/zinc/61/92/70/1131619270.db2.gz FJYXHBFHSMTTMR-UHFFFAOYSA-N 1 1 280.799 3.864 20 30 CHEDMO C=CC[N@H+](Cc1c(C)nc2cc(C)ccn21)C(C)(C)C ZINC001139679716 1131628210 /nfs/dbraw/zinc/62/82/10/1131628210.db2.gz VDXXCEBOYSXEBD-UHFFFAOYSA-N 1 1 271.408 3.738 20 30 CHEDMO CC1(C)CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691006 1131628557 /nfs/dbraw/zinc/62/85/57/1131628557.db2.gz OVEQRHXEUNIAPV-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139690540 1131629412 /nfs/dbraw/zinc/62/94/12/1131629412.db2.gz CRXDJIRRGCTWEP-LBPRGKRZSA-N 1 1 262.784 3.976 20 30 CHEDMO CC(C)[N@@H+](Cc1cccc(Cl)c1C#N)C1CCOCC1 ZINC001139692971 1131629641 /nfs/dbraw/zinc/62/96/41/1131629641.db2.gz NVDMCASDPVUBIE-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001139692335 1131629909 /nfs/dbraw/zinc/62/99/09/1131629909.db2.gz WLVQCQWOMHLINK-BLLLJJGKSA-N 1 1 274.795 3.976 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706185 1131630268 /nfs/dbraw/zinc/63/02/68/1131630268.db2.gz NXIBZLPBMVETQY-OAHLLOKOSA-N 1 1 267.376 3.804 20 30 CHEDMO C=CCn1cc(C[N@H+](C)CCCCCCCC)cn1 ZINC001139770162 1131636404 /nfs/dbraw/zinc/63/64/04/1131636404.db2.gz FTYBYHHPQKIJJU-UHFFFAOYSA-N 1 1 263.429 3.861 20 30 CHEDMO C=CCn1cc(C[N@H+]2CCc3ccccc3[C@@H]2CC)cn1 ZINC001139770843 1131637108 /nfs/dbraw/zinc/63/71/08/1131637108.db2.gz CZRNNVKATRQHKR-SFHVURJKSA-N 1 1 281.403 3.579 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCCC1(F)F ZINC001171189666 1131639573 /nfs/dbraw/zinc/63/95/73/1131639573.db2.gz ISZPRWJHBWHAJR-WFASDCNBSA-N 1 1 278.346 3.657 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCCC1(F)F ZINC001171189664 1131639713 /nfs/dbraw/zinc/63/97/13/1131639713.db2.gz ISZPRWJHBWHAJR-IUODEOHRSA-N 1 1 278.346 3.657 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C)cn1 ZINC001139838774 1131639852 /nfs/dbraw/zinc/63/98/52/1131639852.db2.gz RILPOJWXCNMGOO-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO N#Cc1cc(F)cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001139874585 1131643200 /nfs/dbraw/zinc/64/32/00/1131643200.db2.gz DIZAGUMTQOYVLR-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001139874585 1131643203 /nfs/dbraw/zinc/64/32/03/1131643203.db2.gz DIZAGUMTQOYVLR-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO Cn1c(C[N@H+](CCC#N)C2CCCC2)cc2ccccc21 ZINC001139870503 1131643404 /nfs/dbraw/zinc/64/34/04/1131643404.db2.gz KPUSKYGYITUSNR-UHFFFAOYSA-N 1 1 281.403 3.837 20 30 CHEDMO Cn1c(C[N@@H+](CCC#N)C2CCCC2)cc2ccccc21 ZINC001139870503 1131643416 /nfs/dbraw/zinc/64/34/16/1131643416.db2.gz KPUSKYGYITUSNR-UHFFFAOYSA-N 1 1 281.403 3.837 20 30 CHEDMO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC001139875749 1131643487 /nfs/dbraw/zinc/64/34/87/1131643487.db2.gz CYBNSKQYKPNESD-KRWDZBQOSA-N 1 1 266.319 3.644 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001139875749 1131643494 /nfs/dbraw/zinc/64/34/94/1131643494.db2.gz CYBNSKQYKPNESD-KRWDZBQOSA-N 1 1 266.319 3.644 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001139876471 1131645662 /nfs/dbraw/zinc/64/56/62/1131645662.db2.gz ZROLDFMAZGBCTA-IYBDPMFKSA-N 1 1 292.357 3.784 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC001144581706 1131660853 /nfs/dbraw/zinc/66/08/53/1131660853.db2.gz YTWBMIIDTHRBGV-UHFFFAOYSA-N 1 1 253.389 3.824 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC001144573113 1131661296 /nfs/dbraw/zinc/66/12/96/1131661296.db2.gz BHZXVVVWBSNCEJ-KRWDZBQOSA-N 1 1 279.358 3.797 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001144576142 1131661608 /nfs/dbraw/zinc/66/16/08/1131661608.db2.gz CCNGBTNUFLVSAM-SFHVURJKSA-N 1 1 279.358 3.797 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(C(F)(F)F)ccn1 ZINC001140108004 1131664519 /nfs/dbraw/zinc/66/45/19/1131664519.db2.gz AXDAYPJDGHYRDQ-UHFFFAOYSA-N 1 1 272.314 3.889 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140113757 1131665084 /nfs/dbraw/zinc/66/50/84/1131665084.db2.gz CLBGNISXBANROF-ZDUSSCGKSA-N 1 1 267.376 3.804 20 30 CHEDMO CCC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)CC1CC1 ZINC001140112958 1131665586 /nfs/dbraw/zinc/66/55/86/1131665586.db2.gz YJJBTTFHANINJB-UHFFFAOYSA-N 1 1 267.376 3.662 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140110961 1131665947 /nfs/dbraw/zinc/66/59/47/1131665947.db2.gz VWZBPSCLKNETOR-NSHDSACASA-N 1 1 289.329 3.517 20 30 CHEDMO C=CC[N@@H+](Cc1ncn2ccccc12)C1CCCCC1 ZINC001144627252 1131667939 /nfs/dbraw/zinc/66/79/39/1131667939.db2.gz KVWJKVBYKYPACJ-UHFFFAOYSA-N 1 1 269.392 3.655 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001171202757 1131671061 /nfs/dbraw/zinc/67/10/61/1131671061.db2.gz FSUQVQHINKFDGP-QLFBSQMISA-N 1 1 256.393 3.752 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001171203343 1131675371 /nfs/dbraw/zinc/67/53/71/1131675371.db2.gz LNPWOCSWUAMVFZ-BZUAXINKSA-N 1 1 270.420 3.857 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001171203111 1131675830 /nfs/dbraw/zinc/67/58/30/1131675830.db2.gz JFAKYGXDCZIIHK-ZIAGYGMSSA-N 1 1 292.373 3.856 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000846000137 1131677143 /nfs/dbraw/zinc/67/71/43/1131677143.db2.gz NFWDBKGNJGQPDQ-UHFFFAOYSA-N 1 1 269.388 3.607 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(Br)cc1N ZINC001140225230 1131678882 /nfs/dbraw/zinc/67/88/82/1131678882.db2.gz PCHIQKAOLCEJSZ-UHFFFAOYSA-N 1 1 297.240 3.819 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@](C)(F)C1 ZINC001171209372 1131685332 /nfs/dbraw/zinc/68/53/32/1131685332.db2.gz JLERUWZCQFXONC-PBHICJAKSA-N 1 1 274.383 3.703 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846108851 1131686170 /nfs/dbraw/zinc/68/61/70/1131686170.db2.gz RWSPHSIPBLYTHJ-INIZCTEOSA-N 1 1 293.357 3.873 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001171220878 1131706580 /nfs/dbraw/zinc/70/65/80/1131706580.db2.gz FGIOVQBKTDJXPL-IUODEOHRSA-N 1 1 296.336 3.764 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001171222976 1131707013 /nfs/dbraw/zinc/70/70/13/1131707013.db2.gz KWIYLNSHTPSVHG-ZTFGCOKTSA-N 1 1 268.404 3.754 20 30 CHEDMO CCCCCCCCC/C=C/C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001144808425 1131709500 /nfs/dbraw/zinc/70/95/00/1131709500.db2.gz VOTIQHQJEVILJF-GWKQRERASA-N 1 1 294.483 3.894 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1nccs1 ZINC001171225037 1131709870 /nfs/dbraw/zinc/70/98/70/1131709870.db2.gz XCVBMBJUHLPGOJ-CJNGLKHVSA-N 1 1 297.427 3.783 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001171228998 1131711299 /nfs/dbraw/zinc/71/12/99/1131711299.db2.gz KGQUBDBSAWDUCC-CVEARBPZSA-N 1 1 290.410 3.936 20 30 CHEDMO CCCCCCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810845988 1131718464 /nfs/dbraw/zinc/71/84/64/1131718464.db2.gz HNTYZLCUYYRCHS-HZPDHXFCSA-N 1 1 281.440 3.907 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000847041641 1131774509 /nfs/dbraw/zinc/77/45/09/1131774509.db2.gz TUJWPZAMWWBLKT-UHFFFAOYSA-N 1 1 287.794 3.562 20 30 CHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140541830 1131785871 /nfs/dbraw/zinc/78/58/71/1131785871.db2.gz VLSNJHIALTVJCT-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140540586 1131786012 /nfs/dbraw/zinc/78/60/12/1131786012.db2.gz CFTBDBRDIGEAMP-UHFFFAOYSA-N 1 1 279.387 3.754 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC001140545810 1131786637 /nfs/dbraw/zinc/78/66/37/1131786637.db2.gz LRKRSKVINRFLHD-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)cn1 ZINC001140545829 1131787123 /nfs/dbraw/zinc/78/71/23/1131787123.db2.gz MJDFYVJHYWBCTC-SFHVURJKSA-N 1 1 291.398 3.723 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)cn1 ZINC001140546757 1131787976 /nfs/dbraw/zinc/78/79/76/1131787976.db2.gz UCZUQMNRCUYCJE-UHFFFAOYSA-N 1 1 277.371 3.508 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC001140601284 1131820556 /nfs/dbraw/zinc/82/05/56/1131820556.db2.gz LOXVCVDRDPNUOC-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC3CCC2CC3)c1 ZINC001140602209 1131823568 /nfs/dbraw/zinc/82/35/68/1131823568.db2.gz HHCBLWQEPICYNE-UHFFFAOYSA-N 1 1 260.768 3.586 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)C2(CC2)C1 ZINC001140604274 1131824917 /nfs/dbraw/zinc/82/49/17/1131824917.db2.gz XYAXHVJXJXGVKY-NSHDSACASA-N 1 1 260.768 3.586 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)OCC)[nH]1 ZINC001140688588 1131861024 /nfs/dbraw/zinc/86/10/24/1131861024.db2.gz UEBKVXWJBHXWEC-UHFFFAOYSA-N 1 1 280.412 3.594 20 30 CHEDMO C=CC1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000348169966 1131897400 /nfs/dbraw/zinc/89/74/00/1131897400.db2.gz WYWLBEHVTTYBLP-UHFFFAOYSA-N 1 1 286.419 3.521 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1F ZINC001140756331 1131907397 /nfs/dbraw/zinc/90/73/97/1131907397.db2.gz 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CC[C@H]1COC(C)(C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001171779290 1132098789 /nfs/dbraw/zinc/09/87/89/1132098789.db2.gz VTZQIEGQPRNXQF-INIZCTEOSA-N 1 1 291.822 3.581 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC001171785165 1132101190 /nfs/dbraw/zinc/10/11/90/1132101190.db2.gz AKBOQGXXXGQDEF-GOEBONIOSA-N 1 1 259.418 3.578 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807192 1132103693 /nfs/dbraw/zinc/10/36/93/1132103693.db2.gz RDYXCEZUBKFEOZ-QGZVFWFLSA-N 1 1 281.374 3.981 20 30 CHEDMO C=C(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171970172 1132117766 /nfs/dbraw/zinc/11/77/66/1132117766.db2.gz ZFJJYOUJICXOOX-QGZVFWFLSA-N 1 1 272.436 3.595 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128574 1132128196 /nfs/dbraw/zinc/12/81/96/1132128196.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 1 1 284.447 3.690 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128574 1132128192 /nfs/dbraw/zinc/12/81/92/1132128192.db2.gz 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CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001172353748 1132184121 /nfs/dbraw/zinc/18/41/21/1132184121.db2.gz BCVJIJXCNYVENI-CVEARBPZSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC2(C1)OCCO2 ZINC001172353964 1132184608 /nfs/dbraw/zinc/18/46/08/1132184608.db2.gz CNNDBTJOWLWVJN-HNNXBMFYSA-N 1 1 269.429 3.574 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2nn(C)cc2C1 ZINC001172356124 1132185347 /nfs/dbraw/zinc/18/53/47/1132185347.db2.gz ULEZYBBTYNKXRI-MRXNPFEDSA-N 1 1 277.456 3.917 20 30 CHEDMO C#C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)[C@H](CC)CCCC ZINC001230517234 1132189593 /nfs/dbraw/zinc/18/95/93/1132189593.db2.gz XQOMFIXSIZLNBN-MLGOLLRUSA-N 1 1 285.391 3.742 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+](CCC#N)Cc2cccnc2)C[C@@H]1C ZINC001172365128 1132190425 /nfs/dbraw/zinc/19/04/25/1132190425.db2.gz IZNILKRQQZDRIM-VYDXJSESSA-N 1 1 271.408 3.622 20 30 CHEDMO C[C@@H]1CC[C@H]([N@@H+](CCC#N)Cc2cccnc2)C[C@@H]1C ZINC001172365128 1132190428 /nfs/dbraw/zinc/19/04/28/1132190428.db2.gz 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C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141741393 1132243833 /nfs/dbraw/zinc/24/38/33/1132243833.db2.gz NVDVOXUVUQETAT-HXUWFJFHSA-N 1 1 288.394 3.993 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(COC(C)=O)o1 ZINC001141787100 1132248010 /nfs/dbraw/zinc/24/80/10/1132248010.db2.gz HJQIJGQEYJOMCI-UHFFFAOYSA-N 1 1 281.396 3.745 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172498301 1132248483 /nfs/dbraw/zinc/24/84/83/1132248483.db2.gz LHAOIWGOSMVQAW-CQSZACIVSA-N 1 1 292.386 3.542 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172498301 1132248488 /nfs/dbraw/zinc/24/84/88/1132248488.db2.gz LHAOIWGOSMVQAW-CQSZACIVSA-N 1 1 292.386 3.542 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001172499303 1132249956 /nfs/dbraw/zinc/24/99/56/1132249956.db2.gz WDIRCUTWDDPDHQ-WLYUNCDWSA-N 1 1 252.377 3.673 20 30 CHEDMO COc1cccc([C@@H]2CCC[N@H+]2[C@@H](C)CCCC#N)c1 ZINC001172499186 1132250187 /nfs/dbraw/zinc/25/01/87/1132250187.db2.gz BSSHQDUKTIMPOW-YOEHRIQHSA-N 1 1 272.392 3.914 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001172505307 1132254358 /nfs/dbraw/zinc/25/43/58/1132254358.db2.gz LRZDVVFDKGDWPA-BBWFWOEESA-N 1 1 294.483 3.584 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+]1CCc2nncn2CC1 ZINC001172505538 1132254577 /nfs/dbraw/zinc/25/45/77/1132254577.db2.gz OTSFERNBBVIFHZ-INIZCTEOSA-N 1 1 292.471 3.665 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](CO)C1 ZINC001172505849 1132254609 /nfs/dbraw/zinc/25/46/09/1132254609.db2.gz WDGFSDUAKCWJDJ-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001172508268 1132255371 /nfs/dbraw/zinc/25/53/71/1132255371.db2.gz IERMNGGAWVWSAG-HZPDHXFCSA-N 1 1 282.472 3.713 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001172507879 1132255910 /nfs/dbraw/zinc/25/59/10/1132255910.db2.gz CJWJSMNMFQUFKJ-RCCFBDPRSA-N 1 1 299.499 3.581 20 30 CHEDMO CCCCCCC[C@@H](CCC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001172508236 1132256188 /nfs/dbraw/zinc/25/61/88/1132256188.db2.gz HWKMCOJZWZMJKW-CQSZACIVSA-N 1 1 293.459 3.947 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+]1CCc2nncn2CC1 ZINC001172509260 1132257235 /nfs/dbraw/zinc/25/72/35/1132257235.db2.gz UVJYZXOIBHGAQU-MRXNPFEDSA-N 1 1 292.471 3.665 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCn2nncc2C1 ZINC001172510407 1132257853 /nfs/dbraw/zinc/25/78/53/1132257853.db2.gz BJQMNPMKBDYMQX-OAHLLOKOSA-N 1 1 278.444 3.623 20 30 CHEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172562712 1132268110 /nfs/dbraw/zinc/26/81/10/1132268110.db2.gz CQOATCKNRBXMSV-USXIJHARSA-N 1 1 254.377 3.558 20 30 CHEDMO CSc1nc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)ccc1C#N ZINC001141932061 1132270723 /nfs/dbraw/zinc/27/07/23/1132270723.db2.gz RVTDQKKAQYNFIB-OLZOCXBDSA-N 1 1 289.448 3.543 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545435 1132278476 /nfs/dbraw/zinc/27/84/76/1132278476.db2.gz ABKHXRSYYNYWGX-KURKYZTESA-N 1 1 268.404 3.948 20 30 CHEDMO C#CC[N@@H+](C)Cc1sccc1Oc1ccccc1 ZINC001142001639 1132290893 /nfs/dbraw/zinc/29/08/93/1132290893.db2.gz YHTHSILBRMBKDA-UHFFFAOYSA-N 1 1 257.358 3.605 20 30 CHEDMO C#CC[N@H+](C)Cc1sccc1Oc1ccccc1 ZINC001142001639 1132290898 /nfs/dbraw/zinc/29/08/98/1132290898.db2.gz YHTHSILBRMBKDA-UHFFFAOYSA-N 1 1 257.358 3.605 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+]2CC[C@H](C#N)C2)c(C)c1C ZINC001231494753 1132306740 /nfs/dbraw/zinc/30/67/40/1132306740.db2.gz RZDCNJLCLHITIZ-MRXNPFEDSA-N 1 1 256.393 3.574 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(Cl)nn1 ZINC001142071045 1132311798 /nfs/dbraw/zinc/31/17/98/1132311798.db2.gz QINAXYPEKBSLNU-UHFFFAOYSA-N 1 1 269.820 3.922 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1cccc(C)c1 ZINC001231620368 1132325796 /nfs/dbraw/zinc/32/57/96/1132325796.db2.gz XRVGZQARVJUSSI-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(C)C)c1 ZINC001231624752 1132328983 /nfs/dbraw/zinc/32/89/83/1132328983.db2.gz VNJHZSFKZQKETO-QGZVFWFLSA-N 1 1 259.393 3.872 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001231621801 1132329021 /nfs/dbraw/zinc/32/90/21/1132329021.db2.gz JVCPRAROUDIMHJ-GASCZTMLSA-N 1 1 293.357 3.729 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC001231621197 1132329154 /nfs/dbraw/zinc/32/91/54/1132329154.db2.gz SMPKGIUEXDIEFH-MRXNPFEDSA-N 1 1 263.356 3.575 20 30 CHEDMO C#Cc1cccc(C[N@@H+](CC)CCc2ccc(OC)cc2)c1 ZINC001231661494 1132338632 /nfs/dbraw/zinc/33/86/32/1132338632.db2.gz USGDULNERQYFHD-UHFFFAOYSA-N 1 1 293.410 3.741 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001231663219 1132341639 /nfs/dbraw/zinc/34/16/39/1132341639.db2.gz OJBZGTWYQCAGCQ-SFHVURJKSA-N 1 1 279.358 3.797 20 30 CHEDMO C#Cc1cccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001231664762 1132342016 /nfs/dbraw/zinc/34/20/16/1132342016.db2.gz WSVYXJKVFJGHOM-UHFFFAOYSA-N 1 1 296.458 3.507 20 30 CHEDMO C#Cc1cccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC001231663868 1132342235 /nfs/dbraw/zinc/34/22/35/1132342235.db2.gz TUMAMSCHPFFSCR-LJQANCHMSA-N 1 1 293.435 3.958 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(O)c1 ZINC001231739302 1132354249 /nfs/dbraw/zinc/35/42/49/1132354249.db2.gz ZZQAJVCQIXFBMZ-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C=CC[N@H+](Cc1cccnc1OC(C)C)C(C)(C)C ZINC001231763706 1132356350 /nfs/dbraw/zinc/35/63/50/1132356350.db2.gz HYHRTFWMTZSUPZ-UHFFFAOYSA-N 1 1 262.397 3.655 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001231815866 1132370485 /nfs/dbraw/zinc/37/04/85/1132370485.db2.gz CKGXNNGACHVAQB-QZTJIDSGSA-N 1 1 297.446 3.658 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC2(CCOCC2)CC1 ZINC001173051916 1132382835 /nfs/dbraw/zinc/38/28/35/1132382835.db2.gz QXZJULISZWOXKL-UHFFFAOYSA-N 1 1 298.430 3.729 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc(OC)ccn1 ZINC001231967735 1132403480 /nfs/dbraw/zinc/40/34/80/1132403480.db2.gz IXMZXGCDPFTDEL-UHFFFAOYSA-N 1 1 264.413 3.883 20 30 CHEDMO N#C[C@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173202960 1132408627 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ZINC001232204228 1132435798 /nfs/dbraw/zinc/43/57/98/1132435798.db2.gz XKVMDRYSLXZTBK-UHFFFAOYSA-N 1 1 297.427 3.703 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccc2ccccc21 ZINC001232252246 1132445521 /nfs/dbraw/zinc/44/55/21/1132445521.db2.gz NWRJOWMHEAVXIW-MKZZRHPPSA-N 1 1 277.371 3.501 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000842627051 1132446288 /nfs/dbraw/zinc/44/62/88/1132446288.db2.gz BEEOMALZUBGLHL-OAHLLOKOSA-N 1 1 279.383 3.781 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001232281396 1132448757 /nfs/dbraw/zinc/44/87/57/1132448757.db2.gz LDNBFNWKXCGMBS-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC001232281396 1132448763 /nfs/dbraw/zinc/44/87/63/1132448763.db2.gz LDNBFNWKXCGMBS-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(N)nc1C ZINC001232344760 1132458979 /nfs/dbraw/zinc/45/89/79/1132458979.db2.gz RNANCDJUFYWAFY-UHFFFAOYSA-N 1 1 281.403 3.551 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001173322878 1132460221 /nfs/dbraw/zinc/46/02/21/1132460221.db2.gz OLMGJMJYAZIZRO-UHFFFAOYSA-N 1 1 263.425 3.766 20 30 CHEDMO C=CCOC1CCC([N@H+]2CC[C@H](C)C[C@H]2C)CC1 ZINC001173323559 1132460249 /nfs/dbraw/zinc/46/02/49/1132460249.db2.gz BFUMKSUWDDXQOL-QRNKSROTSA-N 1 1 251.414 3.621 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001173326568 1132461682 /nfs/dbraw/zinc/46/16/82/1132461682.db2.gz KSONODOEMPWDDB-NRXISQOPSA-N 1 1 292.448 3.794 20 30 CHEDMO Cc1c(F)cc(C[N@H+](CCC#N)C2CCCC2)cc1F ZINC001232423890 1132469586 /nfs/dbraw/zinc/46/95/86/1132469586.db2.gz XZQQMHXLAWZXOH-UHFFFAOYSA-N 1 1 278.346 3.932 20 30 CHEDMO Cc1c(F)cc(C[N@@H+](CCC#N)C2CCCC2)cc1F ZINC001232423890 1132469591 /nfs/dbraw/zinc/46/95/91/1132469591.db2.gz XZQQMHXLAWZXOH-UHFFFAOYSA-N 1 1 278.346 3.932 20 30 CHEDMO Cc1ncc(CN(CCC#N)C2CCCCCCC2)[nH]1 ZINC001232462465 1132473171 /nfs/dbraw/zinc/47/31/71/1132473171.db2.gz PIUIGNAQHJKANF-UHFFFAOYSA-N 1 1 274.412 3.547 20 30 CHEDMO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001232479946 1132475350 /nfs/dbraw/zinc/47/53/50/1132475350.db2.gz CDUKNRMZBIKAKD-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001232479946 1132475353 /nfs/dbraw/zinc/47/53/53/1132475353.db2.gz CDUKNRMZBIKAKD-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912014 1132476122 /nfs/dbraw/zinc/47/61/22/1132476122.db2.gz RKPPMHKYDHLTSY-BETUJISGSA-N 1 1 267.376 3.802 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@H](C)C1 ZINC001142921523 1132477614 /nfs/dbraw/zinc/47/76/14/1132477614.db2.gz PPTOIDSTXHSVRV-CHWSQXEVSA-N 1 1 267.376 3.660 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001173319647 1132477731 /nfs/dbraw/zinc/47/77/31/1132477731.db2.gz QCYGUTKJEAZNPE-ABHNRTSZSA-N 1 1 286.419 3.732 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922391 1132478898 /nfs/dbraw/zinc/47/88/98/1132478898.db2.gz GKYCZLPCEUBXTG-OAHLLOKOSA-N 1 1 267.376 3.804 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1N ZINC001232510367 1132481891 /nfs/dbraw/zinc/48/18/91/1132481891.db2.gz BRILPPXJWJUIET-UHFFFAOYSA-N 1 1 284.378 3.986 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2ccccc2n1 ZINC000171137176 1132484058 /nfs/dbraw/zinc/48/40/58/1132484058.db2.gz AYGDKICAKDDNRH-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc2c(cn1)OCCO2 ZINC001143064509 1132495850 /nfs/dbraw/zinc/49/58/50/1132495850.db2.gz YXVDFDQGMXGXNK-UHFFFAOYSA-N 1 1 292.423 3.645 20 30 CHEDMO CC1(C#N)CCC([N@@H+]2CCC[C@@H](F)C(F)(F)C2)CC1 ZINC001173592067 1132496672 /nfs/dbraw/zinc/49/66/72/1132496672.db2.gz DYIUJJHXQWRTTP-OTTFEQOBSA-N 1 1 274.330 3.528 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](F)C(F)(F)C2)CC1 ZINC001173592067 1132496674 /nfs/dbraw/zinc/49/66/74/1132496674.db2.gz DYIUJJHXQWRTTP-OTTFEQOBSA-N 1 1 274.330 3.528 20 30 CHEDMO Cc1ccc(C[N@H+](C)C2CCC(C)(C#N)CC2)cc1 ZINC001173596183 1132498535 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C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000187718386 263267079 /nfs/dbraw/zinc/26/70/79/263267079.db2.gz YTHGIRLCRPWUNH-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000121499482 263295604 /nfs/dbraw/zinc/29/56/04/263295604.db2.gz ZGPRXCZDODIDBM-UONOGXRCSA-N 1 1 274.408 3.645 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000121499482 263295606 /nfs/dbraw/zinc/29/56/06/263295606.db2.gz ZGPRXCZDODIDBM-UONOGXRCSA-N 1 1 274.408 3.645 20 30 CHEDMO CCC[N@@H+](CCCSCC#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000342145637 263399507 /nfs/dbraw/zinc/39/95/07/263399507.db2.gz KZMXUJKIECZBPQ-GJZGRUSLSA-N 1 1 298.496 3.549 20 30 CHEDMO Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425363653 264136455 /nfs/dbraw/zinc/13/64/55/264136455.db2.gz CIWXGHLHTYUDAG-LBPRGKRZSA-N 1 1 285.416 3.825 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000161738717 264298291 /nfs/dbraw/zinc/29/82/91/264298291.db2.gz 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C=CCCCCC[N@H+](C)Cc1cccc(C#N)c1F ZINC000537048983 330394781 /nfs/dbraw/zinc/39/47/81/330394781.db2.gz NXLXZPJBZNMAHG-UHFFFAOYSA-N 1 1 260.356 3.876 20 30 CHEDMO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000121301884 330399414 /nfs/dbraw/zinc/39/94/14/330399414.db2.gz FGUQHHSMBHUNJV-SNVBAGLBSA-N 1 1 277.755 3.569 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000121301884 330399415 /nfs/dbraw/zinc/39/94/15/330399415.db2.gz FGUQHHSMBHUNJV-SNVBAGLBSA-N 1 1 277.755 3.569 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000121375663 330399591 /nfs/dbraw/zinc/39/95/91/330399591.db2.gz JSJFCGWTOGQHDV-UHFFFAOYSA-N 1 1 291.192 3.615 20 30 CHEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000315352885 330474491 /nfs/dbraw/zinc/47/44/91/330474491.db2.gz DAJMYBNRASPBGS-NWDGAFQWSA-N 1 1 299.805 3.827 20 30 CHEDMO Cc1cccnc1[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(C)C ZINC000428388408 330522121 /nfs/dbraw/zinc/52/21/21/330522121.db2.gz IQFXECHNLDUTKT-KRWDZBQOSA-N 1 1 297.377 3.888 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(OC(F)F)c1 ZINC000450665742 330991945 /nfs/dbraw/zinc/99/19/45/330991945.db2.gz GRHBDMZLMRNGBD-NSHDSACASA-N 1 1 280.318 3.632 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)ccc1C#N ZINC000451008235 331011506 /nfs/dbraw/zinc/01/15/06/331011506.db2.gz WPSXEIWRXPUJAB-IBGZPJMESA-N 1 1 291.398 3.641 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451112255 331015844 /nfs/dbraw/zinc/01/58/44/331015844.db2.gz HWQBTIHTTJEUNP-QGZVFWFLSA-N 1 1 274.383 3.812 20 30 CHEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000451145218 331017493 /nfs/dbraw/zinc/01/74/93/331017493.db2.gz JYNNAJXGWDIKHE-QJPTWQEYSA-N 1 1 276.346 3.978 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451346564 331025146 /nfs/dbraw/zinc/02/51/46/331025146.db2.gz FHVMTLOTZNYMCD-FDPIWHGQSA-N 1 1 298.430 3.635 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451354247 331025307 /nfs/dbraw/zinc/02/53/07/331025307.db2.gz QSVXCSJPLTYAJJ-HZMVEIRTSA-N 1 1 265.441 3.747 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)c(Cl)c1 ZINC000451654274 331037884 /nfs/dbraw/zinc/03/78/84/331037884.db2.gz OJRGGMGGGNVXNG-HNNXBMFYSA-N 1 1 292.835 3.539 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c(Cl)c1 ZINC000451654274 331037885 /nfs/dbraw/zinc/03/78/85/331037885.db2.gz OJRGGMGGGNVXNG-HNNXBMFYSA-N 1 1 292.835 3.539 20 30 CHEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452354265 331063029 /nfs/dbraw/zinc/06/30/29/331063029.db2.gz LHZCWYIYLBAKPV-CYBMUJFWSA-N 1 1 297.402 3.842 20 30 CHEDMO CCC[C@]1(COC)CCC[N@H+]1CCCC(C)(C)C#N ZINC000194923882 331077949 /nfs/dbraw/zinc/07/79/49/331077949.db2.gz BZEZSPWLEHHKJG-MRXNPFEDSA-N 1 1 266.429 3.597 20 30 CHEDMO C=CCCc1noc([C@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000453241157 331106011 /nfs/dbraw/zinc/10/60/11/331106011.db2.gz VOFRINSGRJYOGU-INIZCTEOSA-N 1 1 285.391 3.619 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccco1 ZINC000453336028 331118513 /nfs/dbraw/zinc/11/85/13/331118513.db2.gz AQKUQGZYVDVILH-CQSZACIVSA-N 1 1 272.348 3.942 20 30 CHEDMO C=CC[N@@H+](Cc1c(C)nc2scc(C3CC3)n12)C1CC1 ZINC000459477005 331283774 /nfs/dbraw/zinc/28/37/74/331283774.db2.gz FMPMRBZLWPWKEW-UHFFFAOYSA-N 1 1 287.432 3.732 20 30 CHEDMO C=CC[N@H+](Cc1c(C)nc2scc(C3CC3)n12)C1CC1 ZINC000459477005 331283775 /nfs/dbraw/zinc/28/37/75/331283775.db2.gz FMPMRBZLWPWKEW-UHFFFAOYSA-N 1 1 287.432 3.732 20 30 CHEDMO CC1(C)Cc2ccsc2C[N@H+]1CC1(C#N)CCC1 ZINC000459590677 331289628 /nfs/dbraw/zinc/28/96/28/331289628.db2.gz YSELJLINNOKUMD-UHFFFAOYSA-N 1 1 260.406 3.579 20 30 CHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC(C)(C)C1 ZINC000459729974 331296454 /nfs/dbraw/zinc/29/64/54/331296454.db2.gz JPQGOSDJNHDCGN-UHFFFAOYSA-N 1 1 286.419 3.990 20 30 CHEDMO CC#CCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000462318863 331319439 /nfs/dbraw/zinc/31/94/39/331319439.db2.gz YXRHWYWDFAHGMK-UHFFFAOYSA-N 1 1 253.345 3.695 20 30 CHEDMO CC#CCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000462327970 331319829 /nfs/dbraw/zinc/31/98/29/331319829.db2.gz ZSZJRLQESRWAFS-LBPRGKRZSA-N 1 1 280.209 3.855 20 30 CHEDMO CC#CCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000462327970 331319830 /nfs/dbraw/zinc/31/98/30/331319830.db2.gz ZSZJRLQESRWAFS-LBPRGKRZSA-N 1 1 280.209 3.855 20 30 CHEDMO CC#CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000462338178 331320050 /nfs/dbraw/zinc/32/00/50/331320050.db2.gz HCPOLDPXWROTEH-MRXNPFEDSA-N 1 1 263.331 3.905 20 30 CHEDMO C=CCC[C@H](C)Nc1[nH+]cccc1CCCCOC ZINC000462828888 331331739 /nfs/dbraw/zinc/33/17/39/331331739.db2.gz SCNNIKBGQIPPHO-AWEZNQCLSA-N 1 1 262.397 3.817 20 30 CHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000464730048 331365440 /nfs/dbraw/zinc/36/54/40/331365440.db2.gz CXDLFUUGQGMSAS-WMLDXEAASA-N 1 1 256.393 3.959 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817612 331369530 /nfs/dbraw/zinc/36/95/30/331369530.db2.gz HGITVTYIEHAZFZ-SJORKVTESA-N 1 1 254.377 3.724 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464843347 331370742 /nfs/dbraw/zinc/37/07/42/331370742.db2.gz TXBPNAVCCKRESD-QGZVFWFLSA-N 1 1 272.436 3.549 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000488411772 332005059 /nfs/dbraw/zinc/00/50/59/332005059.db2.gz BUEIJJULTJDDIS-KRWDZBQOSA-N 1 1 261.409 3.788 20 30 CHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488995922 332037067 /nfs/dbraw/zinc/03/70/67/332037067.db2.gz WFOFYUKGVHLWGO-GOSISDBHSA-N 1 1 286.419 3.648 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000489430770 332052003 /nfs/dbraw/zinc/05/20/03/332052003.db2.gz DKEGRAGBBGGJKZ-CQSZACIVSA-N 1 1 282.387 3.700 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000489430770 332052005 /nfs/dbraw/zinc/05/20/05/332052005.db2.gz DKEGRAGBBGGJKZ-CQSZACIVSA-N 1 1 282.387 3.700 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000489487664 332055685 /nfs/dbraw/zinc/05/56/85/332055685.db2.gz XAOSXKOZZIMUBS-MRXNPFEDSA-N 1 1 294.398 3.819 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000489487664 332055687 /nfs/dbraw/zinc/05/56/87/332055687.db2.gz XAOSXKOZZIMUBS-MRXNPFEDSA-N 1 1 294.398 3.819 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000489492198 332056338 /nfs/dbraw/zinc/05/63/38/332056338.db2.gz GBHMELWUNJXENL-CYBMUJFWSA-N 1 1 251.320 3.548 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccc(OC)cc2s1 ZINC000489495474 332056770 /nfs/dbraw/zinc/05/67/70/332056770.db2.gz JKIXHCRYJGPPSQ-GFCCVEGCSA-N 1 1 288.416 3.845 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccc(OC)cc2s1 ZINC000489495474 332056771 /nfs/dbraw/zinc/05/67/71/332056771.db2.gz JKIXHCRYJGPPSQ-GFCCVEGCSA-N 1 1 288.416 3.845 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000489503655 332057362 /nfs/dbraw/zinc/05/73/62/332057362.db2.gz ZAUBUGFFANDMKE-OAHLLOKOSA-N 1 1 268.360 3.882 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000489503655 332057363 /nfs/dbraw/zinc/05/73/63/332057363.db2.gz ZAUBUGFFANDMKE-OAHLLOKOSA-N 1 1 268.360 3.882 20 30 CHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000489580019 332060125 /nfs/dbraw/zinc/06/01/25/332060125.db2.gz UESQISHCFAKIOV-MLGOLLRUSA-N 1 1 260.356 3.708 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccsc1C)c1ccc(F)cc1 ZINC000491070801 332146138 /nfs/dbraw/zinc/14/61/38/332146138.db2.gz FTVCRTUBTGUWPU-HNNXBMFYSA-N 1 1 259.349 3.660 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(F)cc1 ZINC000491666349 332274721 /nfs/dbraw/zinc/27/47/21/332274721.db2.gz VXLCGCGWRRWHQV-GOSISDBHSA-N 1 1 290.341 3.838 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccsc1)c1ccc(Cl)cc1 ZINC000491736030 332316380 /nfs/dbraw/zinc/31/63/80/332316380.db2.gz UPADLFLPAIIPDN-CQSZACIVSA-N 1 1 261.777 3.866 20 30 CHEDMO Cc1cc(Cl)cc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000552029656 334278614 /nfs/dbraw/zinc/27/86/14/334278614.db2.gz NKWVYDHGXRPDOG-UHFFFAOYSA-N 1 1 250.773 3.773 20 30 CHEDMO Cc1cc(Cl)cc(C[N@H+](CCC#N)C(C)C)c1 ZINC000552029656 334278615 /nfs/dbraw/zinc/27/86/15/334278615.db2.gz NKWVYDHGXRPDOG-UHFFFAOYSA-N 1 1 250.773 3.773 20 30 CHEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500797465 332618995 /nfs/dbraw/zinc/61/89/95/332618995.db2.gz VBHSUHNYYNOTDM-INIZCTEOSA-N 1 1 294.826 3.942 20 30 CHEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500790680 332619105 /nfs/dbraw/zinc/61/91/05/332619105.db2.gz LNSSDVIPSPDYRX-GFCCVEGCSA-N 1 1 294.826 3.942 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)CCOc1ccc(Cl)cc1 ZINC000174809475 333007734 /nfs/dbraw/zinc/00/77/34/333007734.db2.gz VBYMWEJDTLWHTG-UHFFFAOYSA-N 1 1 294.826 3.981 20 30 CHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000174869010 333009647 /nfs/dbraw/zinc/00/96/47/333009647.db2.gz PHVYYOLDFQLNDE-KRWDZBQOSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000174869010 333009649 /nfs/dbraw/zinc/00/96/49/333009649.db2.gz PHVYYOLDFQLNDE-KRWDZBQOSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000174869010 333009650 /nfs/dbraw/zinc/00/96/50/333009650.db2.gz PHVYYOLDFQLNDE-KRWDZBQOSA-N 1 1 299.462 3.523 20 30 CHEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(C)cc1 ZINC000521221476 333115661 /nfs/dbraw/zinc/11/56/61/333115661.db2.gz GQHQXRZEEPWIFX-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000217655736 333122629 /nfs/dbraw/zinc/12/26/29/333122629.db2.gz UYSNYJJDDTUHGI-RHSMWYFYSA-N 1 1 254.377 3.713 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC000189346669 333190994 /nfs/dbraw/zinc/19/09/94/333190994.db2.gz SKAGGKFLBYQYNK-CYBMUJFWSA-N 1 1 268.335 3.890 20 30 CHEDMO C[C@@H]1CSCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000190393388 333206353 /nfs/dbraw/zinc/20/63/53/333206353.db2.gz GEZDLQWZIFIMRU-AWEZNQCLSA-N 1 1 288.460 3.673 20 30 CHEDMO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)CC1CCCCC1 ZINC000191357576 333218635 /nfs/dbraw/zinc/21/86/35/333218635.db2.gz RVWTXQLUAJYTNX-UHFFFAOYSA-N 1 1 290.455 3.601 20 30 CHEDMO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)CC1CCCCC1 ZINC000191357576 333218636 /nfs/dbraw/zinc/21/86/36/333218636.db2.gz RVWTXQLUAJYTNX-UHFFFAOYSA-N 1 1 290.455 3.601 20 30 CHEDMO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000191475768 333220393 /nfs/dbraw/zinc/22/03/93/333220393.db2.gz SGXWVSILZGZDGP-KRWDZBQOSA-N 1 1 293.414 3.503 20 30 CHEDMO CC(C)[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000191776127 333225111 /nfs/dbraw/zinc/22/51/11/333225111.db2.gz YPBLGIWXWWEIAE-UHFFFAOYSA-N 1 1 293.208 3.694 20 30 CHEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000191776127 333225112 /nfs/dbraw/zinc/22/51/12/333225112.db2.gz YPBLGIWXWWEIAE-UHFFFAOYSA-N 1 1 293.208 3.694 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC000191772990 333225197 /nfs/dbraw/zinc/22/51/97/333225197.db2.gz STMGTBTVVTYVBU-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191892703 333227032 /nfs/dbraw/zinc/22/70/32/333227032.db2.gz YKKKVALMFPPBIK-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000192159123 333231133 /nfs/dbraw/zinc/23/11/33/333231133.db2.gz OFRZFCMHIUQXPB-CQSZACIVSA-N 1 1 283.346 3.537 20 30 CHEDMO C=CCC[C@H](CC)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192935785 333240510 /nfs/dbraw/zinc/24/05/10/333240510.db2.gz UYQSYXVLQIXNQG-MOPGFXCFSA-N 1 1 286.463 3.843 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(C)s1 ZINC000194378588 333270383 /nfs/dbraw/zinc/27/03/83/333270383.db2.gz RUDCZDPKPCMQCY-UHFFFAOYSA-N 1 1 270.401 3.869 20 30 CHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)cc1 ZINC000522382423 333285549 /nfs/dbraw/zinc/28/55/49/333285549.db2.gz WDCKKMWPMZQRFE-QGZVFWFLSA-N 1 1 271.408 3.625 20 30 CHEDMO CC(C)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748256 333309129 /nfs/dbraw/zinc/30/91/29/333309129.db2.gz GROZPVKLNYQIPX-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000229747918 333309238 /nfs/dbraw/zinc/30/92/38/333309238.db2.gz XLFLWWGPJWKZSO-YOEHRIQHSA-N 1 1 272.367 3.852 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000229956771 333312056 /nfs/dbraw/zinc/31/20/56/333312056.db2.gz VDNABBHORNTQNM-DYVFJYSZSA-N 1 1 272.367 3.852 20 30 CHEDMO C=CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000523605613 333333761 /nfs/dbraw/zinc/33/37/61/333333761.db2.gz FAGBEDLJFLRVTI-UHFFFAOYSA-N 1 1 298.199 3.986 20 30 CHEDMO C[C@H](CNc1ccc(Cl)cc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000303173862 333338674 /nfs/dbraw/zinc/33/86/74/333338674.db2.gz HDDCXQRQEONTGB-QWHCGFSZSA-N 1 1 291.826 3.744 20 30 CHEDMO CC[C@H](CSC)[N@@H+](C)CCCCC(C)(C)C#N ZINC000234021330 333357138 /nfs/dbraw/zinc/35/71/38/333357138.db2.gz OZTKNPYNZHBBCL-CYBMUJFWSA-N 1 1 256.459 3.780 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000234272556 333359234 /nfs/dbraw/zinc/35/92/34/333359234.db2.gz IHMXFECFUSDPKF-UHFFFAOYSA-N 1 1 262.372 3.978 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1C#N ZINC000524757326 333387004 /nfs/dbraw/zinc/38/70/04/333387004.db2.gz UXDOGTPRGCAAEU-JKIFEVAISA-N 1 1 254.377 3.711 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC000525119585 333399164 /nfs/dbraw/zinc/39/91/64/333399164.db2.gz QRBNRXADKKLKRF-WLYUNCDWSA-N 1 1 250.430 3.930 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC000576125564 335158247 /nfs/dbraw/zinc/15/82/47/335158247.db2.gz PDAJQDQMWSSBHV-SQNIBIBYSA-N 1 1 268.404 3.633 20 30 CHEDMO C=CC[N@H+](Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000076511491 334083362 /nfs/dbraw/zinc/08/33/62/334083362.db2.gz VDNGJMWTSFIEDA-UHFFFAOYSA-N 1 1 277.371 3.523 20 30 CHEDMO C=CC[N@@H+](Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000076511491 334083363 /nfs/dbraw/zinc/08/33/63/334083363.db2.gz VDNGJMWTSFIEDA-UHFFFAOYSA-N 1 1 277.371 3.523 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000076734009 334087978 /nfs/dbraw/zinc/08/79/78/334087978.db2.gz CFWUPFWAXZNLAM-ZDUSSCGKSA-N 1 1 294.826 3.873 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000134725353 334101803 /nfs/dbraw/zinc/10/18/03/334101803.db2.gz WAZAJCBPDHEIQO-HNNXBMFYSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc2ccccc2o1 ZINC000135132247 334117055 /nfs/dbraw/zinc/11/70/55/334117055.db2.gz MZJLCZQCRTXXOU-NSHDSACASA-N 1 1 266.300 3.748 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135241179 334121419 /nfs/dbraw/zinc/12/14/19/334121419.db2.gz FFAIZZAHVDAYHC-UHFFFAOYSA-N 1 1 256.393 3.886 20 30 CHEDMO CC[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135283575 334123368 /nfs/dbraw/zinc/12/33/68/334123368.db2.gz BPKVQEXTUCBEFE-AWEZNQCLSA-N 1 1 256.393 3.720 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000135284747 334123658 /nfs/dbraw/zinc/12/36/58/334123658.db2.gz BZONOMAAZCHXHQ-GASCZTMLSA-N 1 1 268.404 3.720 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000135410421 334129072 /nfs/dbraw/zinc/12/90/72/334129072.db2.gz VDKBEUGIFVOXRL-INIZCTEOSA-N 1 1 272.392 3.721 20 30 CHEDMO C=CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000548731651 334167530 /nfs/dbraw/zinc/16/75/30/334167530.db2.gz YGCWLSDZNMKQAM-SWLSCSKDSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000548731651 334167531 /nfs/dbraw/zinc/16/75/31/334167531.db2.gz YGCWLSDZNMKQAM-SWLSCSKDSA-N 1 1 265.784 3.678 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245421820 334191837 /nfs/dbraw/zinc/19/18/37/334191837.db2.gz IEJKMOPIRGPCNR-KBXCAEBGSA-N 1 1 262.356 3.751 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cccc(Br)c1 ZINC000245770525 334218821 /nfs/dbraw/zinc/21/88/21/334218821.db2.gz KKRUMCRHHFMAEC-VXGBXAGGSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cccc(Br)c1 ZINC000245770525 334218822 /nfs/dbraw/zinc/21/88/22/334218822.db2.gz KKRUMCRHHFMAEC-VXGBXAGGSA-N 1 1 295.224 3.992 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000551709796 334258658 /nfs/dbraw/zinc/25/86/58/334258658.db2.gz ICBYDKIDJUDEDB-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000551709796 334258659 /nfs/dbraw/zinc/25/86/59/334258659.db2.gz ICBYDKIDJUDEDB-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551804268 334262219 /nfs/dbraw/zinc/26/22/19/334262219.db2.gz REEIOLDYXCPZBW-JTQLQIEISA-N 1 1 291.807 3.713 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cc(CC)no1)c1ccco1 ZINC000552045410 334280936 /nfs/dbraw/zinc/28/09/36/334280936.db2.gz GLJQTDSZKUAUSU-AWEZNQCLSA-N 1 1 260.337 3.627 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000552061507 334283505 /nfs/dbraw/zinc/28/35/05/334283505.db2.gz NYIBTCJQIOQJPE-GOSISDBHSA-N 1 1 276.383 3.938 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]21 ZINC000248413975 334300872 /nfs/dbraw/zinc/30/08/72/334300872.db2.gz GNGLOUMARVEFJC-KBRIMQKVSA-N 1 1 254.377 3.569 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000552827753 334346870 /nfs/dbraw/zinc/34/68/70/334346870.db2.gz XYEXCCNXOYNDHR-WMLDXEAASA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000552827753 334346871 /nfs/dbraw/zinc/34/68/71/334346871.db2.gz XYEXCCNXOYNDHR-WMLDXEAASA-N 1 1 277.383 3.944 20 30 CHEDMO Cc1ccc(C)c(C[N@H+](C)Cc2ccccc2C#N)c1 ZINC000552881077 334349344 /nfs/dbraw/zinc/34/93/44/334349344.db2.gz HJHSNJBRHLWFKQ-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000552881077 334349346 /nfs/dbraw/zinc/34/93/46/334349346.db2.gz HJHSNJBRHLWFKQ-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO C[C@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000091986304 334389143 /nfs/dbraw/zinc/38/91/43/334389143.db2.gz KFSHZHSPFCDNBO-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000091986304 334389145 /nfs/dbraw/zinc/38/91/45/334389145.db2.gz KFSHZHSPFCDNBO-CQSZACIVSA-N 1 1 284.790 3.780 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000577168024 335313286 /nfs/dbraw/zinc/31/32/86/335313286.db2.gz IHSURPCTZJHKEZ-UHFFFAOYSA-N 1 1 286.375 3.948 20 30 CHEDMO CN(CCC(C)(C)C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000345730094 335332081 /nfs/dbraw/zinc/33/20/81/335332081.db2.gz PLUVCKODYFGERM-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO C[N@H+](CCC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000345730094 335332083 /nfs/dbraw/zinc/33/20/83/335332083.db2.gz PLUVCKODYFGERM-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000345730094 335332085 /nfs/dbraw/zinc/33/20/85/335332085.db2.gz PLUVCKODYFGERM-SFHVURJKSA-N 1 1 299.462 3.523 20 30 CHEDMO CCc1nc(C(C)C)ccc1C[NH2+][C@@H](CC)CC#N ZINC000579370004 335741229 /nfs/dbraw/zinc/74/12/29/335741229.db2.gz UVGJLSXHBDFWPM-AWEZNQCLSA-N 1 1 259.397 3.549 20 30 CHEDMO C=CC[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000194971834 336041605 /nfs/dbraw/zinc/04/16/05/336041605.db2.gz MMOWCEFOLAQXAN-JTQLQIEISA-N 1 1 254.171 3.628 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000383934207 336119562 /nfs/dbraw/zinc/11/95/62/336119562.db2.gz KCLLYNLTEDLROP-HNNXBMFYSA-N 1 1 280.371 3.630 20 30 CHEDMO C[N@@H+](CCNc1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000386773357 336179376 /nfs/dbraw/zinc/17/93/76/336179376.db2.gz KUABHUZIMUUXSW-UHFFFAOYSA-N 1 1 299.805 3.756 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334156863 534005596 /nfs/dbraw/zinc/00/55/96/534005596.db2.gz ZUQOPLCOWUGCJK-FZKQIMNGSA-N 1 1 295.361 3.675 20 30 CHEDMO CC[N@@H+](CCC(C)(C)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000336827579 520993715 /nfs/dbraw/zinc/99/37/15/520993715.db2.gz BGYJMYRZYPHSRR-CQSZACIVSA-N 1 1 274.408 3.756 20 30 CHEDMO CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000248889982 521230756 /nfs/dbraw/zinc/23/07/56/521230756.db2.gz IBFRWFXMKJDATD-KEYYUXOJSA-N 1 1 272.392 3.509 20 30 CHEDMO CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)c1cccnc1 ZINC000290310136 521298724 /nfs/dbraw/zinc/29/87/24/521298724.db2.gz CBPDNHRBODTMDM-GFCCVEGCSA-N 1 1 271.389 3.598 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)c1cccnc1 ZINC000290310136 521298730 /nfs/dbraw/zinc/29/87/30/521298730.db2.gz CBPDNHRBODTMDM-GFCCVEGCSA-N 1 1 271.389 3.598 20 30 CHEDMO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000042316490 521407395 /nfs/dbraw/zinc/40/73/95/521407395.db2.gz YMVXJJUIVDGDMM-UHFFFAOYSA-N 1 1 274.364 3.781 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000042316490 521407404 /nfs/dbraw/zinc/40/74/04/521407404.db2.gz YMVXJJUIVDGDMM-UHFFFAOYSA-N 1 1 274.364 3.781 20 30 CHEDMO CC[N@H+](Cc1cccs1)Cc1ccccc1C#N ZINC000042211387 521408406 /nfs/dbraw/zinc/40/84/06/521408406.db2.gz YKHYXEYKYHXZSX-UHFFFAOYSA-N 1 1 256.374 3.642 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccccc1C#N ZINC000042211387 521408414 /nfs/dbraw/zinc/40/84/14/521408414.db2.gz YKHYXEYKYHXZSX-UHFFFAOYSA-N 1 1 256.374 3.642 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000112088017 521730421 /nfs/dbraw/zinc/73/04/21/521730421.db2.gz OXZRBYNRDRFXAL-HNNXBMFYSA-N 1 1 292.423 3.805 20 30 CHEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000290575929 522967542 /nfs/dbraw/zinc/96/75/42/522967542.db2.gz UDORVHVMHVJKKO-QGZVFWFLSA-N 1 1 295.386 3.545 20 30 CHEDMO C[N@H+]1CCCC[C@H]1CCSc1ccc(C#N)cc1 ZINC000340680380 523798835 /nfs/dbraw/zinc/79/88/35/523798835.db2.gz UVHXXYRLXDBZNQ-AWEZNQCLSA-N 1 1 260.406 3.525 20 30 CHEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000130174440 524442838 /nfs/dbraw/zinc/44/28/38/524442838.db2.gz HFWKAZGSFYAHBZ-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO COc1ccccc1C[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000130174440 524442843 /nfs/dbraw/zinc/44/28/43/524442843.db2.gz HFWKAZGSFYAHBZ-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000129852024 524759794 /nfs/dbraw/zinc/75/97/94/524759794.db2.gz HZUSXNQLQSNSCE-CYBMUJFWSA-N 1 1 298.411 3.618 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000125826991 525299007 /nfs/dbraw/zinc/29/90/07/525299007.db2.gz AIESLSFTMMRYQX-LBPRGKRZSA-N 1 1 286.400 3.821 20 30 CHEDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000299455056 525916648 /nfs/dbraw/zinc/91/66/48/525916648.db2.gz XRTTZHJYIFGIEE-AWEZNQCLSA-N 1 1 280.371 3.760 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccs1 ZINC000265456395 526043925 /nfs/dbraw/zinc/04/39/25/526043925.db2.gz FJXKZXPHMZWDQK-GFCCVEGCSA-N 1 1 256.374 3.813 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)s1 ZINC000129730358 526106020 /nfs/dbraw/zinc/10/60/20/526106020.db2.gz PPSFJPZKLJEDAE-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000129730358 526106032 /nfs/dbraw/zinc/10/60/32/526106032.db2.gz PPSFJPZKLJEDAE-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000042316511 526147268 /nfs/dbraw/zinc/14/72/68/526147268.db2.gz BAWHMWYLHNLWHP-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000042316511 526147278 /nfs/dbraw/zinc/14/72/78/526147278.db2.gz BAWHMWYLHNLWHP-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C=CC[N@H+](CC[C@@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000347389821 526306647 /nfs/dbraw/zinc/30/66/47/526306647.db2.gz GBDCWKYZXCTODG-SFHVURJKSA-N 1 1 289.419 3.642 20 30 CHEDMO Cc1csc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000088587396 526342058 /nfs/dbraw/zinc/34/20/58/526342058.db2.gz BRLJWNYQDCCLRB-UHFFFAOYSA-N 1 1 285.416 3.734 20 30 CHEDMO Cc1csc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000088587396 526342061 /nfs/dbraw/zinc/34/20/61/526342061.db2.gz BRLJWNYQDCCLRB-UHFFFAOYSA-N 1 1 285.416 3.734 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)o1 ZINC000157012217 526610688 /nfs/dbraw/zinc/61/06/88/526610688.db2.gz BWKHOAIBCOKXBG-KRWDZBQOSA-N 1 1 281.359 3.664 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000115559720 526615129 /nfs/dbraw/zinc/61/51/29/526615129.db2.gz QNRQIARDHZDRFO-GOSISDBHSA-N 1 1 294.423 3.848 20 30 CHEDMO N#Cc1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1 ZINC000292995147 526628518 /nfs/dbraw/zinc/62/85/18/526628518.db2.gz MPAOPPBAZMZPOY-UHFFFAOYSA-N 1 1 263.344 3.833 20 30 CHEDMO C=CCOCCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000347968340 526749860 /nfs/dbraw/zinc/74/98/60/526749860.db2.gz JKWWOEPANUHVCB-UHFFFAOYSA-N 1 1 285.387 3.875 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000347958911 526754791 /nfs/dbraw/zinc/75/47/91/526754791.db2.gz DCBSTLDOEXBDGE-MRXNPFEDSA-N 1 1 263.356 3.555 20 30 CHEDMO C=C1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000353319700 526904632 /nfs/dbraw/zinc/90/46/32/526904632.db2.gz HAKRCWITVYSUAD-UHFFFAOYSA-N 1 1 274.389 3.864 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccoc1C ZINC000352669842 526929909 /nfs/dbraw/zinc/92/99/09/526929909.db2.gz BZRHTWANXKRPNQ-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccoc1C ZINC000352669842 526929921 /nfs/dbraw/zinc/92/99/21/526929921.db2.gz BZRHTWANXKRPNQ-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353261629 527197330 /nfs/dbraw/zinc/19/73/30/527197330.db2.gz BVYFKBILPYXMIK-HNNXBMFYSA-N 1 1 275.392 3.505 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340927451 527409462 /nfs/dbraw/zinc/40/94/62/527409462.db2.gz SUEVZTGTIIKLMY-QGZVFWFLSA-N 1 1 297.377 3.763 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340927451 527409467 /nfs/dbraw/zinc/40/94/67/527409467.db2.gz SUEVZTGTIIKLMY-QGZVFWFLSA-N 1 1 297.377 3.763 20 30 CHEDMO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356122531 527853948 /nfs/dbraw/zinc/85/39/48/527853948.db2.gz LYSLBSUHBWJHEH-CQSZACIVSA-N 1 1 277.437 3.805 20 30 CHEDMO CC(C)CC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356122531 527853953 /nfs/dbraw/zinc/85/39/53/527853953.db2.gz LYSLBSUHBWJHEH-CQSZACIVSA-N 1 1 277.437 3.805 20 30 CHEDMO CCC[N@@H+](CC)Cc1ccc(C#N)cc1Br ZINC000350812059 528000680 /nfs/dbraw/zinc/00/06/80/528000680.db2.gz LULNGSKLKCWUMN-UHFFFAOYSA-N 1 1 281.197 3.553 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000353749573 528134810 /nfs/dbraw/zinc/13/48/10/528134810.db2.gz VNVKNHJWZXLURD-JKSUJKDBSA-N 1 1 290.407 3.567 20 30 CHEDMO CCC[N@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000356088576 528154233 /nfs/dbraw/zinc/15/42/33/528154233.db2.gz PNJPJKOSDFYZOG-INIZCTEOSA-N 1 1 297.427 3.914 20 30 CHEDMO CCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000356088576 528154237 /nfs/dbraw/zinc/15/42/37/528154237.db2.gz PNJPJKOSDFYZOG-INIZCTEOSA-N 1 1 297.427 3.914 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)cc1 ZINC000353417658 528750781 /nfs/dbraw/zinc/75/07/81/528750781.db2.gz WAAFNWSRXFPKSR-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CC[N@@H+](Cc1cc(Cl)cc2cccnc21)C[C@H](C)C#N ZINC000352091317 528766702 /nfs/dbraw/zinc/76/67/02/528766702.db2.gz JDRBKUAHTTUWNO-GFCCVEGCSA-N 1 1 287.794 3.870 20 30 CHEDMO CC[N@H+](Cc1cc(Cl)cc2cccnc21)C[C@H](C)C#N ZINC000352091317 528766705 /nfs/dbraw/zinc/76/67/05/528766705.db2.gz JDRBKUAHTTUWNO-GFCCVEGCSA-N 1 1 287.794 3.870 20 30 CHEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000353569369 528831924 /nfs/dbraw/zinc/83/19/24/528831924.db2.gz CCUKLKWHYWEDIL-HNAYVOBHSA-N 1 1 299.462 3.644 20 30 CHEDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000353569369 528831927 /nfs/dbraw/zinc/83/19/27/528831927.db2.gz CCUKLKWHYWEDIL-HNAYVOBHSA-N 1 1 299.462 3.644 20 30 CHEDMO CC1(C#N)CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000336229245 528833125 /nfs/dbraw/zinc/83/31/25/528833125.db2.gz SYPDYPVUKKOWBX-UHFFFAOYSA-N 1 1 255.365 3.843 20 30 CHEDMO CC1(C)CC[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000336007082 529028858 /nfs/dbraw/zinc/02/88/58/529028858.db2.gz NREIUTBHTUZUEL-OAHLLOKOSA-N 1 1 297.427 3.917 20 30 CHEDMO CC[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000352647131 529220620 /nfs/dbraw/zinc/22/06/20/529220620.db2.gz XUIWWTJWLRTQOR-INIZCTEOSA-N 1 1 272.392 3.744 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC)o1)Cc1cccs1 ZINC000891509394 1118698364 /nfs/dbraw/zinc/69/83/64/1118698364.db2.gz MNLLJWJJLXYMEO-UHFFFAOYSA-N 1 1 263.362 3.538 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)o1)Cc1cccs1 ZINC000891509394 1118698365 /nfs/dbraw/zinc/69/83/65/1118698365.db2.gz MNLLJWJJLXYMEO-UHFFFAOYSA-N 1 1 263.362 3.538 20 30 CHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000610788104 1118870161 /nfs/dbraw/zinc/87/01/61/1118870161.db2.gz UVQJONYVAALBIH-KRWDZBQOSA-N 1 1 256.393 3.936 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000091513545 1119263692 /nfs/dbraw/zinc/26/36/92/1119263692.db2.gz JNQFHXAYKNPWCB-HIFRSBDPSA-N 1 1 265.422 3.866 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(Br)c1 ZINC000129192431 1119391179 /nfs/dbraw/zinc/39/11/79/1119391179.db2.gz KGDSDFFDZWLYHJ-SNVBAGLBSA-N 1 1 281.197 3.649 20 30 CHEDMO Fc1c(C[NH+]2CCC(S)CC2)cccc1C(F)(F)F ZINC001138010851 1131450068 /nfs/dbraw/zinc/45/00/68/1131450068.db2.gz HLAYOURUZXKZOZ-UHFFFAOYSA-N 1 1 293.329 3.739 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC3(CCCC3)C2)c1Cl ZINC001140809670 1119956963 /nfs/dbraw/zinc/95/69/63/1119956963.db2.gz BJTOCEFNGPGOGO-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO C=CC[N@H+](Cc1cccc(F)c1OC(F)F)C1CC1 ZINC000660170200 1120412947 /nfs/dbraw/zinc/41/29/47/1120412947.db2.gz PAAFMUVDEGOSSP-UHFFFAOYSA-N 1 1 271.282 3.578 20 30 CHEDMO N#CC1(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429122190 1120669167 /nfs/dbraw/zinc/66/91/67/1120669167.db2.gz OKKQMELZIBTTGB-CQSZACIVSA-N 1 1 292.835 3.810 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708197 1120680851 /nfs/dbraw/zinc/68/08/51/1120680851.db2.gz NHQSFPQMFWAHPR-SNVBAGLBSA-N 1 1 263.772 3.785 20 30 CHEDMO C=CCC[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708197 1120680854 /nfs/dbraw/zinc/68/08/54/1120680854.db2.gz NHQSFPQMFWAHPR-SNVBAGLBSA-N 1 1 263.772 3.785 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708197 1120680856 /nfs/dbraw/zinc/68/08/56/1120680856.db2.gz NHQSFPQMFWAHPR-SNVBAGLBSA-N 1 1 263.772 3.785 20 30 CHEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000162921524 1120697422 /nfs/dbraw/zinc/69/74/22/1120697422.db2.gz XWYIBRHFPWLKKQ-UHFFFAOYSA-N 1 1 290.819 3.948 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000336678946 1121632632 /nfs/dbraw/zinc/63/26/32/1121632632.db2.gz WUZXUZASFOPFPY-SNVBAGLBSA-N 1 1 281.197 3.551 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611374734 1121640797 /nfs/dbraw/zinc/64/07/97/1121640797.db2.gz DGQPNQFUTQOLNF-HUUCEWRRSA-N 1 1 281.440 3.642 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(C#N)c(F)c1 ZINC000611466074 1121650115 /nfs/dbraw/zinc/65/01/15/1121650115.db2.gz RVQINDKFBOSONR-VIFPVBQESA-N 1 1 278.714 3.795 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1nccc2c1CCCC2 ZINC001184189394 1122258304 /nfs/dbraw/zinc/25/83/04/1122258304.db2.gz WLFCYXPXKGOVNV-UHFFFAOYSA-N 1 1 258.409 3.749 20 30 CHEDMO C#CC[N@H+](CC)Cc1cc(Cl)cc2ccccc21 ZINC001191389110 1122595189 /nfs/dbraw/zinc/59/51/89/1122595189.db2.gz CXSGJYIGYWPZMC-UHFFFAOYSA-N 1 1 257.764 3.948 20 30 CHEDMO CCCCCCCOC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001194019581 1122739042 /nfs/dbraw/zinc/73/90/42/1122739042.db2.gz CLAIHLWZWOPPHB-CVEARBPZSA-N 1 1 298.471 3.802 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000439434512 1122779075 /nfs/dbraw/zinc/77/90/75/1122779075.db2.gz DRLVVXDQCWHGRO-UHFFFAOYSA-N 1 1 262.784 3.975 20 30 CHEDMO CCCCCCCCC[NH+]1C[C@@H]2CN(CC)C[C@H]2C1 ZINC001201852671 1123151933 /nfs/dbraw/zinc/15/19/33/1123151933.db2.gz GYAYVMHHWORKDC-IRXDYDNUSA-N 1 1 266.473 3.621 20 30 CHEDMO C#CCCCCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000878084496 1125118547 /nfs/dbraw/zinc/11/85/47/1125118547.db2.gz UWQQMTMZBAIRJH-CYBMUJFWSA-N 1 1 264.438 3.946 20 30 CHEDMO C[N@H+](CCc1cccc(C#N)c1)CC[C@H]1CC1(Cl)Cl ZINC000879432583 1125213935 /nfs/dbraw/zinc/21/39/35/1125213935.db2.gz MNVATESPAVTKEQ-AWEZNQCLSA-N 1 1 297.229 3.616 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168178278 1125342070 /nfs/dbraw/zinc/34/20/70/1125342070.db2.gz BUAHXKQJOFNLTN-ZDUSSCGKSA-N 1 1 264.800 3.897 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc(O)cc(O)c1 ZINC001138328842 1131491875 /nfs/dbraw/zinc/49/18/75/1131491875.db2.gz ZNDPPAVIGVELDF-UHFFFAOYSA-N 1 1 265.397 3.890 20 30 CHEDMO C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)[C@@H]1C ZINC001143726500 1131527655 /nfs/dbraw/zinc/52/76/55/1131527655.db2.gz RXJVPJUQFBTILU-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)[C@@H]1C ZINC001143726500 1131527657 /nfs/dbraw/zinc/52/76/57/1131527657.db2.gz RXJVPJUQFBTILU-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C=C(Cl)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844328142 1131551856 /nfs/dbraw/zinc/55/18/56/1131551856.db2.gz ISXFTODTIDZRKZ-CQSZACIVSA-N 1 1 298.883 3.563 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CCN(C)C1 ZINC001172345792 1132180582 /nfs/dbraw/zinc/18/05/82/1132180582.db2.gz COANLEKBDTTXJV-HZPDHXFCSA-N 1 1 254.462 3.667 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001172504546 1132254346 /nfs/dbraw/zinc/25/43/46/1132254346.db2.gz GFNAMFRLMGWGDZ-ARFHVFGLSA-N 1 1 273.436 3.920 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(SC(F)F)cc2)CCC1 ZINC000841899690 1132401377 /nfs/dbraw/zinc/40/13/77/1132401377.db2.gz XUAKWTREQYZJFS-UHFFFAOYSA-N 1 1 282.359 3.785 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115545 1132423706 /nfs/dbraw/zinc/42/37/06/1132423706.db2.gz UCTXKAFUMGHFDQ-AWEZNQCLSA-N 1 1 262.784 3.976 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cccc2ncsc21 ZINC001232732407 1132510954 /nfs/dbraw/zinc/51/09/54/1132510954.db2.gz HEKKTMOHNOSKGU-UHFFFAOYSA-N 1 1 273.405 3.812 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc2ncsc21 ZINC001232732407 1132510958 /nfs/dbraw/zinc/51/09/58/1132510958.db2.gz HEKKTMOHNOSKGU-UHFFFAOYSA-N 1 1 273.405 3.812 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)Cc1cncn1C ZINC001204385502 1132782161 /nfs/dbraw/zinc/78/21/61/1132782161.db2.gz HVSGQDULDSDJGZ-UHFFFAOYSA-N 1 1 265.445 3.993 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001207593230 1133824113 /nfs/dbraw/zinc/82/41/13/1133824113.db2.gz GQHUMTOTKYWQMB-HNNXBMFYSA-N 1 1 262.784 3.508 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@@H](CO)CC1 ZINC001208119806 1133880522 /nfs/dbraw/zinc/88/05/22/1133880522.db2.gz HKWZQKOKVPKCAY-KBOKABMXSA-N 1 1 267.457 3.998 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001208926449 1133963808 /nfs/dbraw/zinc/96/38/08/1133963808.db2.gz SJRVNGQEFAUQPN-QGZVFWFLSA-N 1 1 256.393 3.755 20 30 CHEDMO C=CCCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001224509663 1135455182 /nfs/dbraw/zinc/45/51/82/1135455182.db2.gz OXFXDCDWBZMYHG-INIZCTEOSA-N 1 1 279.811 3.897 20 30 CHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCC(C)(C)C#N ZINC000134196076 1125517211 /nfs/dbraw/zinc/51/72/11/1125517211.db2.gz KQPDCRMEASFOBH-WMLDXEAASA-N 1 1 286.419 3.640 20 30 CHEDMO CS[C@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000134550031 1125519161 /nfs/dbraw/zinc/51/91/61/1125519161.db2.gz WSSVTEHMUVXHNG-ZDUSSCGKSA-N 1 1 254.443 3.534 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000118390678 1125522320 /nfs/dbraw/zinc/52/23/20/1125522320.db2.gz SBHPKAILSSAZAX-ZDUSSCGKSA-N 1 1 254.333 3.653 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000118392021 1125523135 /nfs/dbraw/zinc/52/31/35/1125523135.db2.gz ONGRBTVQPZXHDU-LBPRGKRZSA-N 1 1 268.385 3.739 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000119379663 1125532874 /nfs/dbraw/zinc/53/28/74/1125532874.db2.gz VZYCBDSHFDLYRV-GFCCVEGCSA-N 1 1 256.374 3.813 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000119821117 1125537898 /nfs/dbraw/zinc/53/78/98/1125537898.db2.gz PAVYREBXWGQZDO-HNNXBMFYSA-N 1 1 259.397 3.794 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000348315925 1125538085 /nfs/dbraw/zinc/53/80/85/1125538085.db2.gz MFHFQTACJBIMDL-HNNXBMFYSA-N 1 1 282.391 3.575 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccs1 ZINC000121077706 1125555236 /nfs/dbraw/zinc/55/52/36/1125555236.db2.gz ANEHLDPVUQDCGH-CYBMUJFWSA-N 1 1 270.401 3.855 20 30 CHEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000509667588 1125574120 /nfs/dbraw/zinc/57/41/20/1125574120.db2.gz AMYQPQIDLUWHOB-CZUORRHYSA-N 1 1 263.356 3.554 20 30 CHEDMO Clc1cccc(C#CC[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000533484575 1125610010 /nfs/dbraw/zinc/61/00/10/1125610010.db2.gz RAQUAUHCKQSLFD-SFHVURJKSA-N 1 1 296.801 3.924 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000533484575 1125610016 /nfs/dbraw/zinc/61/00/16/1125610016.db2.gz RAQUAUHCKQSLFD-SFHVURJKSA-N 1 1 296.801 3.924 20 30 CHEDMO COc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C#N ZINC000533539384 1125613774 /nfs/dbraw/zinc/61/37/74/1125613774.db2.gz QTGXNCMAZJFCJO-UKPHBRMFSA-N 1 1 284.403 3.720 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885927990 1125627137 /nfs/dbraw/zinc/62/71/37/1125627137.db2.gz YXSGKRZSQIOVBV-ROUUACIJSA-N 1 1 298.430 3.577 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404186284 1125635453 /nfs/dbraw/zinc/63/54/53/1125635453.db2.gz DWUYHRSDSUYAIK-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886055156 1125641946 /nfs/dbraw/zinc/64/19/46/1125641946.db2.gz SXPDUAUKOGPLNL-MAUKXSAKSA-N 1 1 298.430 3.657 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000886355179 1125672569 /nfs/dbraw/zinc/67/25/69/1125672569.db2.gz DNXKJAHUSJUGKP-CYBMUJFWSA-N 1 1 286.400 3.557 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000076736529 1125684736 /nfs/dbraw/zinc/68/47/36/1125684736.db2.gz WECPDVRONZURLI-UHFFFAOYSA-N 1 1 258.340 3.772 20 30 CHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886541485 1125687442 /nfs/dbraw/zinc/68/74/42/1125687442.db2.gz XDIXJRYLVHTCDR-NXHRZFHOSA-N 1 1 298.430 3.514 20 30 CHEDMO COc1cc(C)c([C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000614963956 1125700237 /nfs/dbraw/zinc/70/02/37/1125700237.db2.gz PEVXBQIUXDDTNE-MAUKXSAKSA-N 1 1 286.419 3.999 20 30 CHEDMO COc1cc(C)c([C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000614963956 1125700244 /nfs/dbraw/zinc/70/02/44/1125700244.db2.gz PEVXBQIUXDDTNE-MAUKXSAKSA-N 1 1 286.419 3.999 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191948742 1125705845 /nfs/dbraw/zinc/70/58/45/1125705845.db2.gz ZUJBATJTNZGBMX-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000127770328 1125707715 /nfs/dbraw/zinc/70/77/15/1125707715.db2.gz QSULVZKWSTYTNL-UHFFFAOYSA-N 1 1 290.238 3.905 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000127770328 1125707723 /nfs/dbraw/zinc/70/77/23/1125707723.db2.gz QSULVZKWSTYTNL-UHFFFAOYSA-N 1 1 290.238 3.905 20 30 CHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192020867 1125732926 /nfs/dbraw/zinc/73/29/26/1125732926.db2.gz QFWUNLNUNQZJQB-OAHLLOKOSA-N 1 1 292.423 3.805 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1Cl ZINC000615092166 1125752096 /nfs/dbraw/zinc/75/20/96/1125752096.db2.gz DQMDWSKMMLCSFK-JTQLQIEISA-N 1 1 289.741 3.597 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000611554631 1125754861 /nfs/dbraw/zinc/75/48/61/1125754861.db2.gz HMVKLCFUTHSJPQ-CPFIRTDXSA-N 1 1 254.377 3.858 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192112703 1125755541 /nfs/dbraw/zinc/75/55/41/1125755541.db2.gz YZODQWCMDLLBJY-GFCCVEGCSA-N 1 1 280.412 3.661 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000093497993 1125769699 /nfs/dbraw/zinc/76/96/99/1125769699.db2.gz UHJGBZBEPCZXBU-UHFFFAOYSA-N 1 1 298.434 3.660 20 30 CHEDMO CCCC[N@H+]1Cc2cccc(N[C@H](C#N)CC)c2C1 ZINC000122228478 1125784977 /nfs/dbraw/zinc/78/49/77/1125784977.db2.gz VKDSLPPGATXMQP-AWEZNQCLSA-N 1 1 257.381 3.516 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000091592315 1129365194 /nfs/dbraw/zinc/36/51/94/1129365194.db2.gz MWFNMRXJEDWQCR-KBPBESRZSA-N 1 1 265.422 3.866 20 30 CHEDMO C=C(Cl)COC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000741337246 1129434051 /nfs/dbraw/zinc/43/40/51/1129434051.db2.gz DYMVFGSDUKVMTC-UHFFFAOYSA-N 1 1 295.810 3.828 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030257 1129690405 /nfs/dbraw/zinc/69/04/05/1129690405.db2.gz XLAFYDAZVMZJHN-HUUCEWRRSA-N 1 1 270.417 3.724 20 30 CHEDMO CCCCCCC[N@@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023830 1129691305 /nfs/dbraw/zinc/69/13/05/1129691305.db2.gz FPAZNQDMSXYUCA-GJZGRUSLSA-N 1 1 270.417 3.724 20 30 CHEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000276237891 1129844258 /nfs/dbraw/zinc/84/42/58/1129844258.db2.gz ORSLVXDXEUBSGI-ZJUUUORDSA-N 1 1 256.271 3.658 20 30 CHEDMO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000768517027 1129862640 /nfs/dbraw/zinc/86/26/40/1129862640.db2.gz GZIPDOVOIBOMQB-UKRRQHHQSA-N 1 1 263.429 3.606 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(OCC)ccc1C ZINC001238717031 1131236482 /nfs/dbraw/zinc/23/64/82/1131236482.db2.gz OUSUWVUXMNRMBC-UHFFFAOYSA-N 1 1 274.408 3.910 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(OCC)ccc1C ZINC001238717031 1131236485 /nfs/dbraw/zinc/23/64/85/1131236485.db2.gz OUSUWVUXMNRMBC-UHFFFAOYSA-N 1 1 274.408 3.910 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000801928898 1129960205 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ZINC000302746032 1126741055 /nfs/dbraw/zinc/74/10/55/1126741055.db2.gz GKCUTJKQUDNYQW-AWEZNQCLSA-N 1 1 251.757 3.585 20 30 CHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000152950977 1126757468 /nfs/dbraw/zinc/75/74/68/1126757468.db2.gz HIWNLWMEEQPCKE-ZDUSSCGKSA-N 1 1 294.389 3.656 20 30 CHEDMO CC(C)CC[N@@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000483160426 1126770133 /nfs/dbraw/zinc/77/01/33/1126770133.db2.gz RHOPBCOBRAMPMR-UHFFFAOYSA-N 1 1 273.424 3.687 20 30 CHEDMO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000174078201 1126765687 /nfs/dbraw/zinc/76/56/87/1126765687.db2.gz OVYLMTKEEQWOHY-NEPJUHHUSA-N 1 1 285.416 3.989 20 30 CHEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2)C2CC2)ccc1F ZINC000160659466 1126765755 /nfs/dbraw/zinc/76/57/55/1126765755.db2.gz QDSMYYGWYCAUNS-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160661700 1126766413 /nfs/dbraw/zinc/76/64/13/1126766413.db2.gz XIRJECNIUUWODM-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483102678 1126767865 /nfs/dbraw/zinc/76/78/65/1126767865.db2.gz XHFGMFNLKCAFKA-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000483114853 1126768293 /nfs/dbraw/zinc/76/82/93/1126768293.db2.gz LMMMUPOPSLNHCO-MRXNPFEDSA-N 1 1 298.336 3.826 20 30 CHEDMO C=C(CC)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483234690 1126774030 /nfs/dbraw/zinc/77/40/30/1126774030.db2.gz MKPLZWGWLDFNFS-GFCCVEGCSA-N 1 1 274.191 3.583 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000483284201 1126778382 /nfs/dbraw/zinc/77/83/82/1126778382.db2.gz ULWFWNAZKDPIDK-UHFFFAOYSA-N 1 1 272.367 3.709 20 30 CHEDMO N#CCc1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000483279282 1126778408 /nfs/dbraw/zinc/77/84/08/1126778408.db2.gz QOFDKFWMOTZSFR-UHFFFAOYSA-N 1 1 268.404 3.765 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000175132528 1126777699 /nfs/dbraw/zinc/77/76/99/1126777699.db2.gz JDUAECUADSSASW-SFHVURJKSA-N 1 1 279.387 3.624 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000175126546 1126778079 /nfs/dbraw/zinc/77/80/79/1126778079.db2.gz WOFNKYYQRQIMHF-INIZCTEOSA-N 1 1 273.424 3.882 20 30 CHEDMO C[C@H]1CC[N@@H+](CCCSCC#N)[C@@H]1c1cccc(F)c1 ZINC000175153813 1126778230 /nfs/dbraw/zinc/77/82/30/1126778230.db2.gz BFTAASLRGNTWIB-BBRMVZONSA-N 1 1 292.423 3.855 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1 ZINC000483514115 1126790840 /nfs/dbraw/zinc/79/08/40/1126790840.db2.gz IFZHXAPORZLQFE-UHFFFAOYSA-N 1 1 279.383 3.569 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483578330 1126792927 /nfs/dbraw/zinc/79/29/27/1126792927.db2.gz IRJKHUMJBWNBRX-UHFFFAOYSA-N 1 1 294.373 3.928 20 30 CHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000924787862 1126793022 /nfs/dbraw/zinc/79/30/22/1126793022.db2.gz YKAOADOBSQKTHZ-ABAIWWIYSA-N 1 1 281.359 3.583 20 30 CHEDMO C=CCCC[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000903089653 1126794143 /nfs/dbraw/zinc/79/41/43/1126794143.db2.gz VABVUNZUJUABNF-GOEBONIOSA-N 1 1 284.407 3.563 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000483661368 1126796457 /nfs/dbraw/zinc/79/64/57/1126796457.db2.gz YUAZWSBEJBXSCB-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000483661368 1126796461 /nfs/dbraw/zinc/79/64/61/1126796461.db2.gz YUAZWSBEJBXSCB-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000483689642 1126797628 /nfs/dbraw/zinc/79/76/28/1126797628.db2.gz VIBLOYPONHBJQF-KBAYOESNSA-N 1 1 253.389 3.549 20 30 CHEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000483953047 1126806676 /nfs/dbraw/zinc/80/66/76/1126806676.db2.gz AHYIRBIGEYZIQW-LPHOPBHVSA-N 1 1 261.368 3.731 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483944898 1126806776 /nfs/dbraw/zinc/80/67/76/1126806776.db2.gz CZASIZOVCLEKHT-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484358161 1126815137 /nfs/dbraw/zinc/81/51/37/1126815137.db2.gz GFUIFOVOMPKBPH-KRWDZBQOSA-N 1 1 259.393 3.589 20 30 CHEDMO CC[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463925 1126828412 /nfs/dbraw/zinc/82/84/12/1126828412.db2.gz DCJBVMKNSZDVNG-OAHLLOKOSA-N 1 1 296.418 3.919 20 30 CHEDMO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H](C#N)CCC#N ZINC000179734520 1126833287 /nfs/dbraw/zinc/83/32/87/1126833287.db2.gz ZTMHFSVDRLOXSA-HOCLYGCPSA-N 1 1 285.391 3.570 20 30 CHEDMO C=CC[N@H+](CCn1nc(C)cc1C)CC1CCCCC1 ZINC000484662410 1126837186 /nfs/dbraw/zinc/83/71/86/1126837186.db2.gz GKDHJBUJDDKDRU-UHFFFAOYSA-N 1 1 275.440 3.568 20 30 CHEDMO C=C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759148168 1130639008 /nfs/dbraw/zinc/63/90/08/1130639008.db2.gz OUFHIZGYVNYLCC-CQSZACIVSA-N 1 1 286.202 3.679 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000904607359 1126862103 /nfs/dbraw/zinc/86/21/03/1126862103.db2.gz OQRWCVXKIJXVOE-TZMCWYRMSA-N 1 1 287.363 3.566 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000904576162 1126861443 /nfs/dbraw/zinc/86/14/43/1126861443.db2.gz GLVFJLNJHGKISD-UPJWGTAASA-N 1 1 263.385 3.719 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000182944818 1126880184 /nfs/dbraw/zinc/88/01/84/1126880184.db2.gz PLKQAVJRKMJVLQ-NVXWUHKLSA-N 1 1 271.408 3.624 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000182944818 1126880188 /nfs/dbraw/zinc/88/01/88/1126880188.db2.gz PLKQAVJRKMJVLQ-NVXWUHKLSA-N 1 1 271.408 3.624 20 30 CHEDMO COCC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000485113002 1126885835 /nfs/dbraw/zinc/88/58/35/1126885835.db2.gz KDPFRLZSEQXHOK-MRXNPFEDSA-N 1 1 278.440 3.621 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000183705436 1126891061 /nfs/dbraw/zinc/89/10/61/1126891061.db2.gz ZYGLFPKKSXWENA-INIZCTEOSA-N 1 1 294.398 3.677 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000187312146 1126910010 /nfs/dbraw/zinc/91/00/10/1126910010.db2.gz NOBCABCBAATBCI-GFCCVEGCSA-N 1 1 285.778 3.800 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000668492568 1126917991 /nfs/dbraw/zinc/91/79/91/1126917991.db2.gz CWKPZJNZSLTOQX-KRWDZBQOSA-N 1 1 258.409 3.611 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485548324 1126924943 /nfs/dbraw/zinc/92/49/43/1126924943.db2.gz HNQMOCIVWIPJIJ-CYBMUJFWSA-N 1 1 262.353 3.862 20 30 CHEDMO C=C(Cl)C[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000782097364 1130754882 /nfs/dbraw/zinc/75/48/82/1130754882.db2.gz JHCNRBHCQFLARB-VXGBXAGGSA-N 1 1 265.784 3.755 20 30 CHEDMO C=C(Cl)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000782097364 1130754888 /nfs/dbraw/zinc/75/48/88/1130754888.db2.gz JHCNRBHCQFLARB-VXGBXAGGSA-N 1 1 265.784 3.755 20 30 CHEDMO C=CCCCC[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235791691 1130779626 /nfs/dbraw/zinc/77/96/26/1130779626.db2.gz SKYWAUADDOJXDI-MRXNPFEDSA-N 1 1 278.827 3.643 20 30 CHEDMO C=CCCCCN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235791691 1130779630 /nfs/dbraw/zinc/77/96/30/1130779630.db2.gz SKYWAUADDOJXDI-MRXNPFEDSA-N 1 1 278.827 3.643 20 30 CHEDMO CC[N@H+](c1ccc(NCc2cc(C#N)n(C)c2)cc1)C(C)C ZINC000190813996 1126944548 /nfs/dbraw/zinc/94/45/48/1126944548.db2.gz VCRDCCFJQOUERK-UHFFFAOYSA-N 1 1 296.418 3.744 20 30 CHEDMO C(#Cc1ccccc1)C[NH2+]C1(c2nccs2)CCCC1 ZINC000192112276 1126957552 /nfs/dbraw/zinc/95/75/52/1126957552.db2.gz YTHABPJPPCGNMF-UHFFFAOYSA-N 1 1 282.412 3.554 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000906598180 1126961101 /nfs/dbraw/zinc/96/11/01/1126961101.db2.gz UEUZICHMQAAWPQ-JKSUJKDBSA-N 1 1 286.375 3.747 20 30 CHEDMO C=CCCCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000193561798 1126969345 /nfs/dbraw/zinc/96/93/45/1126969345.db2.gz CJCPYLJRYPKTHY-ZDUSSCGKSA-N 1 1 282.478 3.979 20 30 CHEDMO C=CCCCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000193561798 1126969348 /nfs/dbraw/zinc/96/93/48/1126969348.db2.gz CJCPYLJRYPKTHY-ZDUSSCGKSA-N 1 1 282.478 3.979 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000267442007 1127000581 /nfs/dbraw/zinc/00/05/81/1127000581.db2.gz IMNAVUVAVRZLBA-KBPBESRZSA-N 1 1 265.422 3.602 20 30 CHEDMO C=CCCCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000486792494 1127002623 /nfs/dbraw/zinc/00/26/23/1127002623.db2.gz SBXBVJYRNRJZMU-UHFFFAOYSA-N 1 1 286.463 3.593 20 30 CHEDMO C=CCCCCC[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000486801818 1127004938 /nfs/dbraw/zinc/00/49/38/1127004938.db2.gz MJAPHLABNSCJJM-UHFFFAOYSA-N 1 1 266.473 3.787 20 30 CHEDMO C=C/C=C\CC[N@@H+](CC=C)Cc1ccc(OC)cc1 ZINC001307423749 1127006085 /nfs/dbraw/zinc/00/60/85/1127006085.db2.gz LSBGNULYWJAYKQ-SREVYHEPSA-N 1 1 257.377 3.816 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000267940767 1127008867 /nfs/dbraw/zinc/00/88/67/1127008867.db2.gz PYSFDFHHVFHSNA-CQSZACIVSA-N 1 1 296.370 3.908 20 30 CHEDMO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000267940764 1127009185 /nfs/dbraw/zinc/00/91/85/1127009185.db2.gz PYSFDFHHVFHSNA-AWEZNQCLSA-N 1 1 296.370 3.908 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001320158800 1127021211 /nfs/dbraw/zinc/02/12/11/1127021211.db2.gz AAEKIIREKAFXAD-DGCLKSJQSA-N 1 1 283.774 3.817 20 30 CHEDMO C[C@H](CCSc1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000269266702 1127036800 /nfs/dbraw/zinc/03/68/00/1127036800.db2.gz HCQCNBDZBMWMIB-ZIAGYGMSSA-N 1 1 262.422 3.649 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000042315350 1127037706 /nfs/dbraw/zinc/03/77/06/1127037706.db2.gz FHTOSUFVRICVOM-ZDUSSCGKSA-N 1 1 286.400 3.692 20 30 CHEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000042316462 1127038262 /nfs/dbraw/zinc/03/82/62/1127038262.db2.gz QEOZUXWQWCNARR-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000042316462 1127038264 /nfs/dbraw/zinc/03/82/64/1127038264.db2.gz QEOZUXWQWCNARR-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC000042316465 1127038329 /nfs/dbraw/zinc/03/83/29/1127038329.db2.gz ZKBVQJBUYYJVNU-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC000042316465 1127038331 /nfs/dbraw/zinc/03/83/31/1127038331.db2.gz ZKBVQJBUYYJVNU-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO CC[N@@H+](Cc1cnccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000269566282 1127041611 /nfs/dbraw/zinc/04/16/11/1127041611.db2.gz KTIGYVREWSXQAM-OAHLLOKOSA-N 1 1 279.387 3.845 20 30 CHEDMO CCc1ccc[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000269820960 1127046402 /nfs/dbraw/zinc/04/64/02/1127046402.db2.gz PJVFZRUPFKMTRR-UHFFFAOYSA-N 1 1 294.402 3.606 20 30 CHEDMO C=CCCCCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000488123440 1127058175 /nfs/dbraw/zinc/05/81/75/1127058175.db2.gz JDUGVBWCFBSBAY-HOTGVXAUSA-N 1 1 283.481 3.719 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cs1 ZINC000488266229 1127066480 /nfs/dbraw/zinc/06/64/80/1127066480.db2.gz OKTOBBHRPDLJIL-GFCCVEGCSA-N 1 1 285.416 3.736 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C(C)C 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C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000339127793 1127114594 /nfs/dbraw/zinc/11/45/94/1127114594.db2.gz XTRJPOZBQOLIBW-PWSUYJOCSA-N 1 1 266.747 3.603 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000339193524 1127118936 /nfs/dbraw/zinc/11/89/36/1127118936.db2.gz GZFMHMZTILTKAC-WBVHZDCISA-N 1 1 286.423 3.534 20 30 CHEDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(C#N)cc1 ZINC000348810482 1127128286 /nfs/dbraw/zinc/12/82/86/1127128286.db2.gz RUQYPOYZOFGPND-GFCCVEGCSA-N 1 1 276.343 3.618 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000586773592 1127138598 /nfs/dbraw/zinc/13/85/98/1127138598.db2.gz MRAIIZZHQXPNCN-UHFFFAOYSA-N 1 1 278.355 3.749 20 30 CHEDMO Cc1ccc(C[N@H+](C)C[C@H](C)C(C)(C)C)cc1C#N ZINC000700711748 1127142494 /nfs/dbraw/zinc/14/24/94/1127142494.db2.gz MZCNMEZWTXWAKF-AWEZNQCLSA-N 1 1 258.409 3.981 20 30 CHEDMO C=CC[N@@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000798941901 1131062869 /nfs/dbraw/zinc/06/28/69/1131062869.db2.gz KTTNOCRHWLQDFB-KRWDZBQOSA-N 1 1 296.455 3.530 20 30 CHEDMO C[C@]12CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000283950369 1127165718 /nfs/dbraw/zinc/16/57/18/1127165718.db2.gz ANJJYUWCRMZXDE-KGLIPLIRSA-N 1 1 295.213 3.574 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)cs1 ZINC000350015087 1127170317 /nfs/dbraw/zinc/17/03/17/1127170317.db2.gz LFUMZKJDDQAYSJ-SNVBAGLBSA-N 1 1 274.414 3.801 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000350015087 1127170319 /nfs/dbraw/zinc/17/03/19/1127170319.db2.gz LFUMZKJDDQAYSJ-SNVBAGLBSA-N 1 1 274.414 3.801 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000350257265 1127176323 /nfs/dbraw/zinc/17/63/23/1127176323.db2.gz APLFXENGLUMSTK-UHFFFAOYSA-N 1 1 294.398 3.811 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000351273141 1127187421 /nfs/dbraw/zinc/18/74/21/1127187421.db2.gz VQQOWCZKLVBZKS-KRWDZBQOSA-N 1 1 277.408 3.741 20 30 CHEDMO CCCCCCCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001274802833 1127186024 /nfs/dbraw/zinc/18/60/24/1127186024.db2.gz WIJRILRZCVRLKA-UHFFFAOYSA-N 1 1 294.483 3.537 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(F)cc1 ZINC000351602981 1127196941 /nfs/dbraw/zinc/19/69/41/1127196941.db2.gz OBOKHVCWVKNNMO-UHFFFAOYSA-N 1 1 272.323 3.703 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000351614607 1127198456 /nfs/dbraw/zinc/19/84/56/1127198456.db2.gz HZRDSUFPYRAEEW-JLJPHGGASA-N 1 1 289.419 3.695 20 30 CHEDMO C[C@@]12CC[N@H+](Cc3ccccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000284922133 1127211702 /nfs/dbraw/zinc/21/17/02/1127211702.db2.gz VVSNMYNIFSYLPY-UONOGXRCSA-N 1 1 295.213 3.574 20 30 CHEDMO C[C@@]12CC[N@@H+](Cc3ccccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000284922133 1127211703 /nfs/dbraw/zinc/21/17/03/1127211703.db2.gz VVSNMYNIFSYLPY-UONOGXRCSA-N 1 1 295.213 3.574 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000589209618 1127215901 /nfs/dbraw/zinc/21/59/01/1127215901.db2.gz ONSAWIAIBRRMRU-SFHVURJKSA-N 1 1 298.430 3.991 20 30 CHEDMO CCC(CC)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000589336497 1127217962 /nfs/dbraw/zinc/21/79/62/1127217962.db2.gz LJXHCABDLVEVOH-RTBURBONSA-N 1 1 299.462 3.502 20 30 CHEDMO CCC(CC)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000589336494 1127218056 /nfs/dbraw/zinc/21/80/56/1127218056.db2.gz LJXHCABDLVEVOH-OALUTQOASA-N 1 1 299.462 3.502 20 30 CHEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589354849 1127219480 /nfs/dbraw/zinc/21/94/80/1127219480.db2.gz RYNCDZRHBIIWQH-HNAYVOBHSA-N 1 1 299.462 3.646 20 30 CHEDMO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000589354849 1127219483 /nfs/dbraw/zinc/21/94/83/1127219483.db2.gz RYNCDZRHBIIWQH-HNAYVOBHSA-N 1 1 299.462 3.646 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)CC1Cc2ccccc2C1 ZINC000589498520 1127223547 /nfs/dbraw/zinc/22/35/47/1127223547.db2.gz XPCDBFUDZJESAA-UHFFFAOYSA-N 1 1 270.420 3.663 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@]12CCN([C@@H](C)CC)C2=O ZINC001275110805 1127234659 /nfs/dbraw/zinc/23/46/59/1127234659.db2.gz FFUFLECWCZZJON-FUHWJXTLSA-N 1 1 294.483 3.822 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@]12CCN(CCCC)C2=O ZINC001275111272 1127234906 /nfs/dbraw/zinc/23/49/06/1127234906.db2.gz KCBFPBUKSCXDHM-SFHVURJKSA-N 1 1 294.483 3.824 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(C)C ZINC001275113482 1127235792 /nfs/dbraw/zinc/23/57/92/1127235792.db2.gz CIUZVWXJKGCSSJ-IAGOWNOFSA-N 1 1 294.483 3.678 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC000589991030 1127243680 /nfs/dbraw/zinc/24/36/80/1127243680.db2.gz ZBGCPVPQFXAZQC-MRXNPFEDSA-N 1 1 294.373 3.995 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000589985969 1127243725 /nfs/dbraw/zinc/24/37/25/1127243725.db2.gz UKBCHEBOMVMSHE-GOSISDBHSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000589985969 1127243726 /nfs/dbraw/zinc/24/37/26/1127243726.db2.gz UKBCHEBOMVMSHE-GOSISDBHSA-N 1 1 296.345 3.740 20 30 CHEDMO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000352861072 1127247210 /nfs/dbraw/zinc/24/72/10/1127247210.db2.gz FJZVHJSCWPJGHN-INIZCTEOSA-N 1 1 297.427 3.915 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285910428 1127247220 /nfs/dbraw/zinc/24/72/20/1127247220.db2.gz DDXMUJRJXSTKLB-HNNXBMFYSA-N 1 1 282.387 3.806 20 30 CHEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000590156320 1127250173 /nfs/dbraw/zinc/25/01/73/1127250173.db2.gz DLPWVGRIRBGUMI-XGXHKWSGSA-N 1 1 298.430 3.778 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccco1 ZINC000286227886 1127263469 /nfs/dbraw/zinc/26/34/69/1127263469.db2.gz SRGYNFMZQSQHDS-HNNXBMFYSA-N 1 1 285.391 3.538 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CC1(C)C ZINC001238086480 1131169490 /nfs/dbraw/zinc/16/94/90/1131169490.db2.gz HFUJFZMWBUNTMB-CYBMUJFWSA-N 1 1 262.784 3.690 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000590715583 1127268972 /nfs/dbraw/zinc/26/89/72/1127268972.db2.gz RNJLFWZUQHWISH-VTGFLYEISA-N 1 1 254.377 3.716 20 30 CHEDMO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000590748885 1127270213 /nfs/dbraw/zinc/27/02/13/1127270213.db2.gz YMKAPKJWBOFTNB-UHFFFAOYSA-N 1 1 291.398 3.599 20 30 CHEDMO COc1cccc2c1C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000590759946 1127270353 /nfs/dbraw/zinc/27/03/53/1127270353.db2.gz VVTCORRAGJSYKK-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000590764103 1127270610 /nfs/dbraw/zinc/27/06/10/1127270610.db2.gz VQFDWCJMAUKFHR-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000353916654 1127278199 /nfs/dbraw/zinc/27/81/99/1127278199.db2.gz RAKJUPFWJZTOGO-INIZCTEOSA-N 1 1 285.416 3.976 20 30 CHEDMO C#CCC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000760819262 1127295046 /nfs/dbraw/zinc/29/50/46/1127295046.db2.gz HSDBWKAJCXAERF-CYBMUJFWSA-N 1 1 299.336 3.738 20 30 CHEDMO C=CCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287420815 1127304995 /nfs/dbraw/zinc/30/49/95/1127304995.db2.gz OZDJGFZISGJBPA-CQSZACIVSA-N 1 1 275.396 3.830 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@]12CCN(C)C2=O ZINC001275342058 1127311731 /nfs/dbraw/zinc/31/17/31/1127311731.db2.gz SYYNDPONDIFWIO-GOSISDBHSA-N 1 1 292.467 3.600 20 30 CHEDMO C=CCCC1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000354591716 1127312003 /nfs/dbraw/zinc/31/20/03/1127312003.db2.gz CHTLHCCJLNLICH-INIZCTEOSA-N 1 1 292.467 3.504 20 30 CHEDMO CC[C@@H](Nc1cc(CCOC)cc[nH+]1)c1ccc(C#N)cc1 ZINC000287747945 1127312844 /nfs/dbraw/zinc/31/28/44/1127312844.db2.gz ZBOFTWGPUVDXBO-QGZVFWFLSA-N 1 1 295.386 3.705 20 30 CHEDMO COc1cccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1F ZINC000591839064 1127321742 /nfs/dbraw/zinc/32/17/42/1127321742.db2.gz PJRZWHNISMAEHB-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1F ZINC000591839064 1127321746 /nfs/dbraw/zinc/32/17/46/1127321746.db2.gz PJRZWHNISMAEHB-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000245700192 1129218523 /nfs/dbraw/zinc/21/85/23/1129218523.db2.gz DAHNJTYGYPTJRL-CVEARBPZSA-N 1 1 286.419 3.990 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592060645 1127332649 /nfs/dbraw/zinc/33/26/49/1127332649.db2.gz VOMLBVITZZCWMN-HNNXBMFYSA-N 1 1 291.398 3.754 20 30 CHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccncc1C#N ZINC000592106543 1127333365 /nfs/dbraw/zinc/33/33/65/1127333365.db2.gz WBCNPKGZYLQMRC-LJQANCHMSA-N 1 1 291.398 3.550 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)s1 ZINC000592098976 1127333916 /nfs/dbraw/zinc/33/39/16/1127333916.db2.gz IPHLTKUVKNWMRF-GFCCVEGCSA-N 1 1 291.807 3.909 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1=CCCC1 ZINC000592071439 1127334300 /nfs/dbraw/zinc/33/43/00/1127334300.db2.gz GEIDEPPQHOBKPA-QZTJIDSGSA-N 1 1 266.388 3.868 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1=CCCC1 ZINC000592071438 1127334502 /nfs/dbraw/zinc/33/45/02/1127334502.db2.gz GEIDEPPQHOBKPA-MSOLQXFVSA-N 1 1 266.388 3.868 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC000592074431 1127334883 /nfs/dbraw/zinc/33/48/83/1127334883.db2.gz LIDPKGXFSWFXFF-QGZVFWFLSA-N 1 1 283.350 3.579 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000592067523 1127335004 /nfs/dbraw/zinc/33/50/04/1127335004.db2.gz YWSHTKOBYPLUHD-LJQANCHMSA-N 1 1 291.398 3.550 20 30 CHEDMO CCC[N@H+](Cc1ccncc1C#N)CC1CCCCC1 ZINC000592063873 1127335204 /nfs/dbraw/zinc/33/52/04/1127335204.db2.gz LBNWTKDDUVQFQE-UHFFFAOYSA-N 1 1 271.408 3.746 20 30 CHEDMO CC(C)(C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC000592074327 1127335219 /nfs/dbraw/zinc/33/52/19/1127335219.db2.gz YYJWWGHEDOHSBB-KRWDZBQOSA-N 1 1 297.377 3.969 20 30 CHEDMO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592093612 1127336326 /nfs/dbraw/zinc/33/63/26/1127336326.db2.gz MZXLVOGUWJBEDU-AWEZNQCLSA-N 1 1 295.386 3.591 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H](c3cccnc3)C2)CCCCC1 ZINC000592139264 1127336811 /nfs/dbraw/zinc/33/68/11/1127336811.db2.gz RCAUGSGCFKYRBX-QGZVFWFLSA-N 1 1 283.419 3.735 20 30 CHEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000592125151 1127336824 /nfs/dbraw/zinc/33/68/24/1127336824.db2.gz RBXDKFDUYVRYFD-CVEARBPZSA-N 1 1 271.408 3.600 20 30 CHEDMO N#CC1(CCC[N@H+]2CCCC[C@@H]2C2CCC2)CCOCC1 ZINC000592197442 1127339234 /nfs/dbraw/zinc/33/92/34/1127339234.db2.gz CUZFRUJSZGZZSZ-QGZVFWFLSA-N 1 1 290.451 3.742 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136331 1127339800 /nfs/dbraw/zinc/33/98/00/1127339800.db2.gz FHFHJIXHWKDCCG-IBGZPJMESA-N 1 1 292.382 3.520 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(C#N)c2)CC12CC=CC2 ZINC000592527715 1127353586 /nfs/dbraw/zinc/35/35/86/1127353586.db2.gz NSTOXHZJJHSJCZ-KRWDZBQOSA-N 1 1 266.388 3.735 20 30 CHEDMO Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001141432523 1127355496 /nfs/dbraw/zinc/35/54/96/1127355496.db2.gz AHJWLFLWVFLURG-GFCCVEGCSA-N 1 1 297.324 3.535 20 30 CHEDMO CC[C@H](OCC[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000593023646 1127364947 /nfs/dbraw/zinc/36/49/47/1127364947.db2.gz YKTDYTMSVMRYRJ-ROUUACIJSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@H](OCC[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000593023646 1127364951 /nfs/dbraw/zinc/36/49/51/1127364951.db2.gz YKTDYTMSVMRYRJ-ROUUACIJSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@H](OCC[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000593023647 1127365366 /nfs/dbraw/zinc/36/53/66/1127365366.db2.gz YKTDYTMSVMRYRJ-ZWKOTPCHSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@H](OCC[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000593023647 1127365370 /nfs/dbraw/zinc/36/53/70/1127365370.db2.gz YKTDYTMSVMRYRJ-ZWKOTPCHSA-N 1 1 286.419 3.780 20 30 CHEDMO C=CC[N@H+](Cc1cnc([C@H](C)O)s1)CC1CCCCC1 ZINC000289015411 1127370554 /nfs/dbraw/zinc/37/05/54/1127370554.db2.gz AIYMOXQDMRRKLL-ZDUSSCGKSA-N 1 1 294.464 3.765 20 30 CHEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cncc(C#N)c2)cc1 ZINC000592986850 1127366542 /nfs/dbraw/zinc/36/65/42/1127366542.db2.gz MDDSJPAWRHPXBA-IBGZPJMESA-N 1 1 291.398 3.995 20 30 CHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)o1 ZINC000592377411 1127370731 /nfs/dbraw/zinc/37/07/31/1127370731.db2.gz RYEJESOFYUKQSZ-UHFFFAOYSA-N 1 1 286.762 3.974 20 30 CHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000593045375 1127369354 /nfs/dbraw/zinc/36/93/54/1127369354.db2.gz INOXJSAJKXQLSU-CQSZACIVSA-N 1 1 297.427 3.566 20 30 CHEDMO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000593053923 1127369956 /nfs/dbraw/zinc/36/99/56/1127369956.db2.gz OIXFSZSBHQGRMJ-YOEHRIQHSA-N 1 1 272.392 3.509 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593116217 1127374308 /nfs/dbraw/zinc/37/43/08/1127374308.db2.gz GJARKCFLFORNOF-INIZCTEOSA-N 1 1 290.357 3.719 20 30 CHEDMO CC[N@@H+](CCNc1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000357242342 1127387837 /nfs/dbraw/zinc/38/78/37/1127387837.db2.gz VLWPNHJTDWNFGG-UHFFFAOYSA-N 1 1 299.340 3.719 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc(C3CCC3)s2)CCCC1 ZINC000593652777 1127393529 /nfs/dbraw/zinc/39/35/29/1127393529.db2.gz LWXFKKRCJFIIKQ-UHFFFAOYSA-N 1 1 275.421 3.584 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCC1 ZINC000593655032 1127393205 /nfs/dbraw/zinc/39/32/05/1127393205.db2.gz VXWZAMWJMMROBK-UHFFFAOYSA-N 1 1 298.308 3.585 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2OC(F)(F)F)CCCC1 ZINC000593650528 1127393265 /nfs/dbraw/zinc/39/32/65/1127393265.db2.gz TWSXHYXGUQNUTL-UHFFFAOYSA-N 1 1 298.308 3.759 20 30 CHEDMO C[C@H](C#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000357833647 1127395097 /nfs/dbraw/zinc/39/50/97/1127395097.db2.gz PWVAGMVRTLGBTB-CQSZACIVSA-N 1 1 299.418 3.549 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCc1noc2ccccc21 ZINC000593959972 1127404333 /nfs/dbraw/zinc/40/43/33/1127404333.db2.gz WEOOPKSFLCVOKT-UHFFFAOYSA-N 1 1 285.391 3.632 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1noc2ccccc21 ZINC000593959972 1127404335 /nfs/dbraw/zinc/40/43/35/1127404335.db2.gz WEOOPKSFLCVOKT-UHFFFAOYSA-N 1 1 285.391 3.632 20 30 CHEDMO N#CC1(CC[N@H+]2CCC[C@@H](OC3CCC3)C2)CCCCC1 ZINC000594020585 1127405459 /nfs/dbraw/zinc/40/54/59/1127405459.db2.gz JBYZBBMAKUZRRS-QGZVFWFLSA-N 1 1 290.451 3.884 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000594006885 1127407385 /nfs/dbraw/zinc/40/73/85/1127407385.db2.gz VGAQAVIUEJKDQL-ZDUSSCGKSA-N 1 1 280.799 3.909 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048673 1127410982 /nfs/dbraw/zinc/41/09/82/1127410982.db2.gz GFXNYHNHVHEOLJ-GWCFXTLKSA-N 1 1 268.282 3.503 20 30 CHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000046518051 1127413371 /nfs/dbraw/zinc/41/33/71/1127413371.db2.gz KAHWYBNORQBKMM-UHFFFAOYSA-N 1 1 298.361 3.598 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000358494426 1127423763 /nfs/dbraw/zinc/42/37/63/1127423763.db2.gz FRIOUSVRHLJMBC-QGZVFWFLSA-N 1 1 287.382 3.547 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594717684 1127429971 /nfs/dbraw/zinc/42/99/71/1127429971.db2.gz OGJTVKCMUAKQSA-ZDUSSCGKSA-N 1 1 287.363 3.719 20 30 CHEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594942676 1127438715 /nfs/dbraw/zinc/43/87/15/1127438715.db2.gz YTQXCGIJDNIWIQ-CYBMUJFWSA-N 1 1 297.427 3.858 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1F ZINC000595091687 1127454092 /nfs/dbraw/zinc/45/40/92/1127454092.db2.gz SDABJEGGGHWAEK-ZMZPIMSZSA-N 1 1 296.345 3.741 20 30 CHEDMO Cc1ncc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)s1 ZINC000595090497 1127454295 /nfs/dbraw/zinc/45/42/95/1127454295.db2.gz GSUGPHYHBDUKKG-LLVKDONJSA-N 1 1 263.410 3.576 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595090361 1127454312 /nfs/dbraw/zinc/45/43/12/1127454312.db2.gz NSVUWPWGYAWTNY-OAHLLOKOSA-N 1 1 299.374 3.646 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595290647 1127457491 /nfs/dbraw/zinc/45/74/91/1127457491.db2.gz XYEJRISLFIYWBB-HNNXBMFYSA-N 1 1 264.372 3.794 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595296153 1127457707 /nfs/dbraw/zinc/45/77/07/1127457707.db2.gz 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Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000595602127 1127469459 /nfs/dbraw/zinc/46/94/59/1127469459.db2.gz SYKGOVGYNIAEKO-OAHLLOKOSA-N 1 1 297.427 3.969 20 30 CHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000595602127 1127469462 /nfs/dbraw/zinc/46/94/62/1127469462.db2.gz SYKGOVGYNIAEKO-OAHLLOKOSA-N 1 1 297.427 3.969 20 30 CHEDMO CC[C@@H](C)[N@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000595600825 1127469590 /nfs/dbraw/zinc/46/95/90/1127469590.db2.gz PHCCHNJDWRKEKZ-CQSZACIVSA-N 1 1 296.418 3.673 20 30 CHEDMO CC[C@@H](C)[N@@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000595600825 1127469593 /nfs/dbraw/zinc/46/95/93/1127469593.db2.gz PHCCHNJDWRKEKZ-CQSZACIVSA-N 1 1 296.418 3.673 20 30 CHEDMO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612409 1127470017 /nfs/dbraw/zinc/47/00/17/1127470017.db2.gz WKRBTJPFLUABPL-RYUDHWBXSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612409 1127470021 /nfs/dbraw/zinc/47/00/21/1127470021.db2.gz WKRBTJPFLUABPL-RYUDHWBXSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611693 1127470082 /nfs/dbraw/zinc/47/00/82/1127470082.db2.gz MWZWNPKZQUQNSG-RYUDHWBXSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611693 1127470084 /nfs/dbraw/zinc/47/00/84/1127470084.db2.gz MWZWNPKZQUQNSG-RYUDHWBXSA-N 1 1 264.319 3.651 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610723 1127470166 /nfs/dbraw/zinc/47/01/66/1127470166.db2.gz ANIVKNFXCRUFOD-OAHLLOKOSA-N 1 1 272.392 3.599 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000595610402 1127470304 /nfs/dbraw/zinc/47/03/04/1127470304.db2.gz XWSIKAQVHSKQMR-INIZCTEOSA-N 1 1 294.398 3.844 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)C1 ZINC000595673518 1127472260 /nfs/dbraw/zinc/47/22/60/1127472260.db2.gz GIAHLSIMIPYYLZ-FMKPAKJESA-N 1 1 270.376 3.889 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822313 1127476355 /nfs/dbraw/zinc/47/63/55/1127476355.db2.gz QLVRQTGLQUAAOL-CQSZACIVSA-N 1 1 296.414 3.510 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788429 1127477062 /nfs/dbraw/zinc/47/70/62/1127477062.db2.gz NUJLEDMOMWDMHC-AYOQOUSVSA-N 1 1 298.430 3.900 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000595844064 1127477981 /nfs/dbraw/zinc/47/79/81/1127477981.db2.gz PYJPMGPBQYRVSS-OAHLLOKOSA-N 1 1 262.784 3.508 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000595844064 1127477982 /nfs/dbraw/zinc/47/79/82/1127477982.db2.gz PYJPMGPBQYRVSS-OAHLLOKOSA-N 1 1 262.784 3.508 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000595841773 1127478032 /nfs/dbraw/zinc/47/80/32/1127478032.db2.gz OCLJGKVINGQUQT-KBAYOESNSA-N 1 1 268.404 3.806 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595880741 1127478638 /nfs/dbraw/zinc/47/86/38/1127478638.db2.gz OLJRPONQHULRFR-INIZCTEOSA-N 1 1 283.419 3.746 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc21 ZINC000595881142 1127478728 /nfs/dbraw/zinc/47/87/28/1127478728.db2.gz QSLRSCZOVDOPGW-IBGZPJMESA-N 1 1 290.410 3.763 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2CC2CCC2)n1 ZINC000595869872 1127479764 /nfs/dbraw/zinc/47/97/64/1127479764.db2.gz CZFXNUUWHVRIOC-CQSZACIVSA-N 1 1 275.421 3.559 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCC1 ZINC000360037089 1127487487 /nfs/dbraw/zinc/48/74/87/1127487487.db2.gz ISKZMYHFVWCFPR-UHFFFAOYSA-N 1 1 262.784 3.975 20 30 CHEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cs1 ZINC000360619613 1127503725 /nfs/dbraw/zinc/50/37/25/1127503725.db2.gz LXKRVXTUPIJLEE-QGZVFWFLSA-N 1 1 297.427 3.855 20 30 CHEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cs1 ZINC000360619613 1127503727 /nfs/dbraw/zinc/50/37/27/1127503727.db2.gz LXKRVXTUPIJLEE-QGZVFWFLSA-N 1 1 297.427 3.855 20 30 CHEDMO C=CCOCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000293704825 1127513572 /nfs/dbraw/zinc/51/35/72/1127513572.db2.gz DDWOZUPCWZCJMR-CYBMUJFWSA-N 1 1 282.453 3.770 20 30 CHEDMO CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000823152690 1131414266 /nfs/dbraw/zinc/41/42/66/1131414266.db2.gz KRMZQOPGOOCITB-CQSZACIVSA-N 1 1 298.390 3.728 20 30 CHEDMO CC(C)CC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979305 1127523094 /nfs/dbraw/zinc/52/30/94/1127523094.db2.gz JXSRFXSCIIVRSY-UHFFFAOYSA-N 1 1 256.393 3.720 20 30 CHEDMO CCCOc1ccc(C[N@H+](CC)CCC#N)c(C)c1 ZINC000596983160 1127523121 /nfs/dbraw/zinc/52/31/21/1127523121.db2.gz OTOLMEVLDDLHCP-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO CCCOc1ccc(C[N@@H+](CC)CCC#N)c(C)c1 ZINC000596983160 1127523123 /nfs/dbraw/zinc/52/31/23/1127523123.db2.gz OTOLMEVLDDLHCP-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000597132868 1127529103 /nfs/dbraw/zinc/52/91/03/1127529103.db2.gz MIPNHJOLLZEILS-QGZVFWFLSA-N 1 1 280.415 3.864 20 30 CHEDMO CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(C)c1 ZINC000597027591 1127525179 /nfs/dbraw/zinc/52/51/79/1127525179.db2.gz WDOHZSJBNCKPHO-CYBMUJFWSA-N 1 1 272.392 3.518 20 30 CHEDMO CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(C)c1 ZINC000597027591 1127525180 /nfs/dbraw/zinc/52/51/80/1127525180.db2.gz WDOHZSJBNCKPHO-CYBMUJFWSA-N 1 1 272.392 3.518 20 30 CHEDMO C[C@H]([N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)C1(C)CC1 ZINC000597025469 1127525496 /nfs/dbraw/zinc/52/54/96/1127525496.db2.gz AVFBGAPDZJJVFM-AWEZNQCLSA-N 1 1 268.404 3.862 20 30 CHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597156802 1127530504 /nfs/dbraw/zinc/53/05/04/1127530504.db2.gz AXUNVAVDTJEFEP-SFHVURJKSA-N 1 1 298.430 3.631 20 30 CHEDMO Cc1ncsc1-c1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000597154946 1127530863 /nfs/dbraw/zinc/53/08/63/1127530863.db2.gz TZYAPSNPKSBFEY-UHFFFAOYSA-N 1 1 297.427 3.902 20 30 CHEDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597173525 1127531912 /nfs/dbraw/zinc/53/19/12/1127531912.db2.gz JRCXZSXOASGXSW-HNNXBMFYSA-N 1 1 294.402 3.511 20 30 CHEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175515 1127532358 /nfs/dbraw/zinc/53/23/58/1127532358.db2.gz BHDXOILGYBKPDY-HOCLYGCPSA-N 1 1 274.383 3.772 20 30 CHEDMO COc1ccc2oc(C[N@H+]3CCC[C@H](CC#N)C3)cc2c1 ZINC000597175769 1127532667 /nfs/dbraw/zinc/53/26/67/1127532667.db2.gz DPBYMSNTUHTNDX-CYBMUJFWSA-N 1 1 284.359 3.567 20 30 CHEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000361137473 1127540834 /nfs/dbraw/zinc/54/08/34/1127540834.db2.gz VTTQLJULFGRMQD-LBPRGKRZSA-N 1 1 283.350 3.506 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000361109845 1127538224 /nfs/dbraw/zinc/53/82/24/1127538224.db2.gz FTKBULBMFODNQD-UHFFFAOYSA-N 1 1 262.356 3.691 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000361109845 1127538225 /nfs/dbraw/zinc/53/82/25/1127538225.db2.gz FTKBULBMFODNQD-UHFFFAOYSA-N 1 1 262.356 3.691 20 30 CHEDMO Cc1[nH+]ccn1CCCSc1ccc(Cl)cc1C#N ZINC000601914281 1127551304 /nfs/dbraw/zinc/55/13/04/1127551304.db2.gz VVCQCQVTEZFPFA-UHFFFAOYSA-N 1 1 291.807 3.899 20 30 CHEDMO CC[N@@H+](CCC1CC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000761225241 1127551903 /nfs/dbraw/zinc/55/19/03/1127551903.db2.gz ARYFUKOHJLKAHH-AWEZNQCLSA-N 1 1 272.392 3.599 20 30 CHEDMO CC[N@@H+](CCC1CC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000761225243 1127552179 /nfs/dbraw/zinc/55/21/79/1127552179.db2.gz ARYFUKOHJLKAHH-CQSZACIVSA-N 1 1 272.392 3.599 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)CC)nc1 ZINC000361498818 1127568466 /nfs/dbraw/zinc/56/84/66/1127568466.db2.gz WDFIRKBHEXZKRF-UHFFFAOYSA-N 1 1 295.430 3.726 20 30 CHEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C#N)n1 ZINC000602438002 1127579113 /nfs/dbraw/zinc/57/91/13/1127579113.db2.gz AEALEEUZKHPLFK-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000602435610 1127579218 /nfs/dbraw/zinc/57/92/18/1127579218.db2.gz IMDVMUSOWHWXSW-LSDHHAIUSA-N 1 1 292.448 3.669 20 30 CHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cccc(C#N)n1 ZINC000602444481 1127579859 /nfs/dbraw/zinc/57/98/59/1127579859.db2.gz NTWQZPKRGWCJCD-SFHVURJKSA-N 1 1 279.387 3.926 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000602443832 1127580303 /nfs/dbraw/zinc/58/03/03/1127580303.db2.gz WTBUSUVZOHBQCX-BBRMVZONSA-N 1 1 292.810 3.653 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000602475324 1127580811 /nfs/dbraw/zinc/58/08/11/1127580811.db2.gz SVAPXTVROJUDMI-SJLPKXTDSA-N 1 1 285.435 3.527 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c2ccccc12 ZINC000602448028 1127581170 /nfs/dbraw/zinc/58/11/70/1127581170.db2.gz QGHFPPMOIGOYAS-GFCCVEGCSA-N 1 1 256.324 3.570 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c2ccccc12 ZINC000602448028 1127581172 /nfs/dbraw/zinc/58/11/72/1127581172.db2.gz QGHFPPMOIGOYAS-GFCCVEGCSA-N 1 1 256.324 3.570 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000602476475 1127582050 /nfs/dbraw/zinc/58/20/50/1127582050.db2.gz OMTKQDSEMKMVHS-VYDXJSESSA-N 1 1 256.393 3.804 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000602472338 1127582681 /nfs/dbraw/zinc/58/26/81/1127582681.db2.gz FHJFCHZNWATGFF-NSHDSACASA-N 1 1 268.763 3.851 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)[C@@H](C)c1cnc(C)nc1C ZINC000602464125 1127583074 /nfs/dbraw/zinc/58/30/74/1127583074.db2.gz CBHGBNRWJYCSRD-AWEZNQCLSA-N 1 1 288.439 3.806 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)[C@@H](C)c1cnc(C)nc1C ZINC000602464125 1127583077 /nfs/dbraw/zinc/58/30/77/1127583077.db2.gz CBHGBNRWJYCSRD-AWEZNQCLSA-N 1 1 288.439 3.806 20 30 CHEDMO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](C)CCC#N)cs1 ZINC000602482701 1127584882 /nfs/dbraw/zinc/58/48/82/1127584882.db2.gz GFVDUCNVGSSWQU-CHWSQXEVSA-N 1 1 295.452 3.612 20 30 CHEDMO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](C)CCC#N)cs1 ZINC000602482701 1127584883 /nfs/dbraw/zinc/58/48/83/1127584883.db2.gz GFVDUCNVGSSWQU-CHWSQXEVSA-N 1 1 295.452 3.612 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@H](c2ccco2)C1 ZINC000602482713 1127584888 /nfs/dbraw/zinc/58/48/88/1127584888.db2.gz QCBHJYNAAAUQHC-CJNGLKHVSA-N 1 1 281.359 3.519 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H](c2ccco2)C1 ZINC000602482713 1127584890 /nfs/dbraw/zinc/58/48/90/1127584890.db2.gz QCBHJYNAAAUQHC-CJNGLKHVSA-N 1 1 281.359 3.519 20 30 CHEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](C)CCC#N ZINC000602492223 1127585498 /nfs/dbraw/zinc/58/54/98/1127585498.db2.gz DQRKDEGGZCKDTL-AWEZNQCLSA-N 1 1 271.408 3.947 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C#N)cc1F ZINC000361747790 1127586004 /nfs/dbraw/zinc/58/60/04/1127586004.db2.gz DKDWVPRRWVQSBK-LLVKDONJSA-N 1 1 297.308 3.559 20 30 CHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCCC#N)C1 ZINC000361824913 1127591152 /nfs/dbraw/zinc/59/11/52/1127591152.db2.gz HWRFZBATUQWKKV-KRWDZBQOSA-N 1 1 256.393 3.635 20 30 CHEDMO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000602535484 1127592401 /nfs/dbraw/zinc/59/24/01/1127592401.db2.gz OEGSYUHNTNFBHB-AEFFLSMTSA-N 1 1 291.483 3.561 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000602596372 1127595311 /nfs/dbraw/zinc/59/53/11/1127595311.db2.gz JHDJWQUKPZWZDB-CVTTXWKISA-N 1 1 289.382 3.631 20 30 CHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H](C)CCC#N ZINC000602614967 1127597351 /nfs/dbraw/zinc/59/73/51/1127597351.db2.gz CBBYCVBBQUJIOT-IRXDYDNUSA-N 1 1 285.435 3.527 20 30 CHEDMO Cc1cc(C)c(/C=C/C[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000602644055 1127600013 /nfs/dbraw/zinc/60/00/13/1127600013.db2.gz UMKATMOVHYNLDN-SNAWJCMRSA-N 1 1 254.377 3.518 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000602692170 1127604697 /nfs/dbraw/zinc/60/46/97/1127604697.db2.gz VLPDAYHWKLTLBH-MOPGFXCFSA-N 1 1 291.398 3.721 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000602692173 1127604919 /nfs/dbraw/zinc/60/49/19/1127604919.db2.gz VLPDAYHWKLTLBH-RBUKOAKNSA-N 1 1 291.398 3.721 20 30 CHEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)cc1 ZINC000602761208 1127611515 /nfs/dbraw/zinc/61/15/15/1127611515.db2.gz VLZLUABPFITGMP-MRXNPFEDSA-N 1 1 270.376 3.526 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852190 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CC(C)[N@@H+](Cc1ccc(F)cc1)CC1(CC#N)CC1 ZINC000602768458 1127614684 /nfs/dbraw/zinc/61/46/84/1127614684.db2.gz IZUBYRPZQHLMQF-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000602766864 1127614712 /nfs/dbraw/zinc/61/47/12/1127614712.db2.gz GBYOZHKSFUJAQJ-INIZCTEOSA-N 1 1 254.377 3.826 20 30 CHEDMO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccco1 ZINC000602928062 1127621262 /nfs/dbraw/zinc/62/12/62/1127621262.db2.gz WQCCWUIWVVVWKL-QGZVFWFLSA-N 1 1 280.371 3.929 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccco1 ZINC000602928062 1127621264 /nfs/dbraw/zinc/62/12/64/1127621264.db2.gz WQCCWUIWVVVWKL-QGZVFWFLSA-N 1 1 280.371 3.929 20 30 CHEDMO N#CCCCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602928773 1127621325 /nfs/dbraw/zinc/62/13/25/1127621325.db2.gz RGWNHQFSTFUQFV-UHFFFAOYSA-N 1 1 282.309 3.757 20 30 CHEDMO COCC[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CC=CCC1 ZINC000362234170 1127622085 /nfs/dbraw/zinc/62/20/85/1127622085.db2.gz HBAQFQZZEZGOSO-GOSISDBHSA-N 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C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594274 1127627202 /nfs/dbraw/zinc/62/72/02/1127627202.db2.gz GETRHHNZXUTMLV-WMLDXEAASA-N 1 1 286.419 3.513 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1CCC(=O)CC1 ZINC000295412016 1127641867 /nfs/dbraw/zinc/64/18/67/1127641867.db2.gz DHRCWVAAGSBOPL-UHFFFAOYSA-N 1 1 284.403 3.528 20 30 CHEDMO CSc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000603428182 1127648647 /nfs/dbraw/zinc/64/86/47/1127648647.db2.gz QAXFTBHDVRBPKI-UHFFFAOYSA-N 1 1 284.384 3.652 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCCc2scnc21)c1ccc(C#N)cc1 ZINC000599025074 1127651450 /nfs/dbraw/zinc/65/14/50/1127651450.db2.gz YWNMNJIROQVXDW-BXUZGUMPSA-N 1 1 283.400 3.743 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599057503 1127653715 /nfs/dbraw/zinc/65/37/15/1127653715.db2.gz FNWFNCMAXZVDPX-FRRDWIJNSA-N 1 1 278.346 3.842 20 30 CHEDMO C[C@H](Cc1ccccc1)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593697130 1127661317 /nfs/dbraw/zinc/66/13/17/1127661317.db2.gz 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ZINC000599679037 1127687677 /nfs/dbraw/zinc/68/76/77/1127687677.db2.gz VDSFFEKLDTURKD-CQSZACIVSA-N 1 1 256.393 3.545 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678676 1127687819 /nfs/dbraw/zinc/68/78/19/1127687819.db2.gz XMQLMLZXOMWOAH-OAHLLOKOSA-N 1 1 268.404 3.856 20 30 CHEDMO CC[C@H](CC(F)F)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678464 1127687953 /nfs/dbraw/zinc/68/79/53/1127687953.db2.gz RDJKWIUGBCOIEE-CYBMUJFWSA-N 1 1 292.373 3.792 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000604492748 1127707944 /nfs/dbraw/zinc/70/79/44/1127707944.db2.gz JLFPHWSEBQJGQW-CQSZACIVSA-N 1 1 298.361 3.769 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cccnc1 ZINC000297955852 1127712781 /nfs/dbraw/zinc/71/27/81/1127712781.db2.gz TZGADZPKFJFPLS-HNNXBMFYSA-N 1 1 279.387 3.926 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000605149625 1127730345 /nfs/dbraw/zinc/73/03/45/1127730345.db2.gz GKKLTXHQBZXREI-MRXNPFEDSA-N 1 1 275.392 3.807 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000605149624 1127730478 /nfs/dbraw/zinc/73/04/78/1127730478.db2.gz GKKLTXHQBZXREI-INIZCTEOSA-N 1 1 275.392 3.807 20 30 CHEDMO CC[N@@H+](C[C@H](O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299031139 1127738651 /nfs/dbraw/zinc/73/86/51/1127738651.db2.gz HXVQPBXAKRQKOL-KXBFYZLASA-N 1 1 294.398 3.675 20 30 CHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000368267528 1127757784 /nfs/dbraw/zinc/75/77/84/1127757784.db2.gz QCFDZSIOSHEYMX-NCOADZHNSA-N 1 1 292.467 3.578 20 30 CHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000368267531 1127757948 /nfs/dbraw/zinc/75/79/48/1127757948.db2.gz QCFDZSIOSHEYMX-VQHPVUNQSA-N 1 1 292.467 3.578 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371203962 1127764974 /nfs/dbraw/zinc/76/49/74/1127764974.db2.gz DTPPXVFEHJMHHM-IAGOWNOFSA-N 1 1 281.403 3.698 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371203962 1127764980 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C=CC[N@H+](CCc1ccccc1)[C@H](C)c1cnc(C)cn1 ZINC000411188190 1127847192 /nfs/dbraw/zinc/84/71/92/1127847192.db2.gz CMAKZMSISMEFRI-MRXNPFEDSA-N 1 1 281.403 3.577 20 30 CHEDMO CC(C)C[N@@H+](CCc1cncs1)Cc1ccc(C#N)cc1 ZINC000411209697 1127848412 /nfs/dbraw/zinc/84/84/12/1127848412.db2.gz SRRADHCDWVEMHH-UHFFFAOYSA-N 1 1 299.443 3.715 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1cnc(C)cn1 ZINC000411253872 1127850604 /nfs/dbraw/zinc/85/06/04/1127850604.db2.gz DYLPOAURSGGFNX-OAHLLOKOSA-N 1 1 273.424 3.914 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000173784468 1127853428 /nfs/dbraw/zinc/85/34/28/1127853428.db2.gz SDZGMSHGKPCQBP-OAHLLOKOSA-N 1 1 294.826 3.635 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000173784468 1127853431 /nfs/dbraw/zinc/85/34/31/1127853431.db2.gz SDZGMSHGKPCQBP-OAHLLOKOSA-N 1 1 294.826 3.635 20 30 CHEDMO C[C@H](c1ccccn1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411431141 1127859358 /nfs/dbraw/zinc/85/93/58/1127859358.db2.gz 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C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000570525087 1128626002 /nfs/dbraw/zinc/62/60/02/1128626002.db2.gz HDJYAOPBXCBNQL-MOPGFXCFSA-N 1 1 291.398 3.721 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)nc1 ZINC000570695019 1128630047 /nfs/dbraw/zinc/63/00/47/1128630047.db2.gz PHGUFQIYOXRLBA-LJQANCHMSA-N 1 1 291.398 3.550 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000556884124 1128634023 /nfs/dbraw/zinc/63/40/23/1128634023.db2.gz PRUYYGSBMMWTLN-KRWDZBQOSA-N 1 1 280.346 3.687 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000572330548 1128644199 /nfs/dbraw/zinc/64/41/99/1128644199.db2.gz VXZBDNPZDZALKM-UHFFFAOYSA-N 1 1 282.309 3.951 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000047739902 1128673212 /nfs/dbraw/zinc/67/32/12/1128673212.db2.gz BLQJVDGRVWCATA-UHFFFAOYSA-N 1 1 289.382 3.842 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1cccc(Br)c1O ZINC000159002643 1128673237 /nfs/dbraw/zinc/67/32/37/1128673237.db2.gz POFOLVZDZNLRFZ-UHFFFAOYSA-N 1 1 284.197 3.553 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(Br)c1O ZINC000159002643 1128673238 /nfs/dbraw/zinc/67/32/38/1128673238.db2.gz POFOLVZDZNLRFZ-UHFFFAOYSA-N 1 1 284.197 3.553 20 30 CHEDMO CC(=[NH+]Nc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000920383345 1128679484 /nfs/dbraw/zinc/67/94/84/1128679484.db2.gz DYFPEVKHNLXOFI-UHFFFAOYSA-N 1 1 271.339 3.728 20 30 CHEDMO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cn1 ZINC000578005864 1128702872 /nfs/dbraw/zinc/70/28/72/1128702872.db2.gz PXHYDXUSMVBFKN-UHFFFAOYSA-N 1 1 291.807 3.690 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cn1 ZINC000578005864 1128702875 /nfs/dbraw/zinc/70/28/75/1128702875.db2.gz PXHYDXUSMVBFKN-UHFFFAOYSA-N 1 1 291.807 3.690 20 30 CHEDMO C=CC[N@H+](CCc1ncc(C)cc1C)Cc1cccs1 ZINC000578863413 1128730580 /nfs/dbraw/zinc/73/05/80/1128730580.db2.gz SQFONPBNTVPUBK-UHFFFAOYSA-N 1 1 286.444 3.991 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609916128 1128731390 /nfs/dbraw/zinc/73/13/90/1128731390.db2.gz CIXBVXYIRJPXSK-UHFFFAOYSA-N 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C#CCCC[N@H+](CC)Cc1c(F)cccc1Cl ZINC001209269948 1118023042 /nfs/dbraw/zinc/02/30/42/1118023042.db2.gz SGSHQHPPLNUDCP-UHFFFAOYSA-N 1 1 253.748 3.714 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001209429284 1118050537 /nfs/dbraw/zinc/05/05/37/1118050537.db2.gz XRBOLMHHJPXJNG-SFHVURJKSA-N 1 1 273.420 3.676 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001209428500 1118050602 /nfs/dbraw/zinc/05/06/02/1118050602.db2.gz IBXMCQDKAYHXBC-SFHVURJKSA-N 1 1 289.419 3.513 20 30 CHEDMO C=CCCCCCCC[NH+]1CCN(CC2CC2)CC1 ZINC001209439604 1118059756 /nfs/dbraw/zinc/05/97/56/1118059756.db2.gz UIEOGTBMCMUDAA-UHFFFAOYSA-N 1 1 264.457 3.541 20 30 CHEDMO C=CCCCCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209441319 1118059939 /nfs/dbraw/zinc/05/99/39/1118059939.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 1 1 264.457 3.682 20 30 CHEDMO C=CCCCCCCCC[N@H+](C)[C@H]1CCN(C)C1 ZINC001209443807 1118063199 /nfs/dbraw/zinc/06/31/99/1118063199.db2.gz GJBJXEMPYQFYMU-INIZCTEOSA-N 1 1 252.446 3.539 20 30 CHEDMO 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CHEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccc(C=C)cc1 ZINC001168574063 1118236905 /nfs/dbraw/zinc/23/69/05/1118236905.db2.gz GFZLBDRAUMCYCV-UHFFFAOYSA-N 1 1 290.370 3.872 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC)c1C ZINC001168579627 1118269892 /nfs/dbraw/zinc/26/98/92/1118269892.db2.gz JWLIOBIFOCINDN-UHFFFAOYSA-N 1 1 285.387 3.827 20 30 CHEDMO C=CCCC[N@H+](CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001652537052 1118271753 /nfs/dbraw/zinc/27/17/53/1118271753.db2.gz ONRBKZFXSMEEIE-HUUCEWRRSA-N 1 1 253.430 3.868 20 30 CHEDMO C=C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001167329750 1118308892 /nfs/dbraw/zinc/30/88/92/1118308892.db2.gz JXUOZTBUHJVGMK-CQSZACIVSA-N 1 1 286.202 3.679 20 30 CHEDMO C=C(C)[C@H]([NH2+]Cc1ccc(F)nc1)c1ccc(F)c(F)c1 ZINC000189184068 1128769444 /nfs/dbraw/zinc/76/94/44/1128769444.db2.gz NJPJXSRCSQIWJO-INIZCTEOSA-N 1 1 292.304 3.906 20 30 CHEDMO C[C@@H]1CC(=O)C=C(Nc2cccc3cc[nH+]cc32)C1 ZINC001210776045 1118383038 /nfs/dbraw/zinc/38/30/38/1118383038.db2.gz OUFFIBMCHYWNTO-NSHDSACASA-N 1 1 252.317 3.530 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000186260121 1118403317 /nfs/dbraw/zinc/40/33/17/1118403317.db2.gz UHVOQEVBJLEVOQ-HNNXBMFYSA-N 1 1 294.398 3.635 20 30 CHEDMO C[C@H]1CC([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)C1 ZINC000084948340 1118465471 /nfs/dbraw/zinc/46/54/71/1118465471.db2.gz UBPUQUYNTRANHO-ZIAGYGMSSA-N 1 1 256.393 3.815 20 30 CHEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1Cc1ccncc1C#N ZINC000932923512 1118478588 /nfs/dbraw/zinc/47/85/88/1118478588.db2.gz RBQPJMJHUGQYDO-QGZVFWFLSA-N 1 1 297.427 3.612 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC001167421506 1118483393 /nfs/dbraw/zinc/48/33/93/1118483393.db2.gz VIJCMPPQSFPYRU-INIZCTEOSA-N 1 1 280.371 3.758 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(C)c1F ZINC001143381767 1118516885 /nfs/dbraw/zinc/51/68/85/1118516885.db2.gz NZAYUSJXVVLVNW-AWEZNQCLSA-N 1 1 260.356 3.568 20 30 CHEDMO N#Cc1ccc(CNc2cccc3cc[nH+]cc32)cc1F ZINC000616273816 1128783113 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C=CCCCN1CC[N@@H+](CCCC=C)[C@@H]([C@@H](C)CC)C1 ZINC000510414228 1118576205 /nfs/dbraw/zinc/57/62/05/1118576205.db2.gz RRWDXBIZDMTNEE-ZWKOTPCHSA-N 1 1 278.484 3.951 20 30 CHEDMO C=CCCCN1CC[N@@H+](CCCC=C)C[C@@H]1[C@@H](C)CC ZINC000510414228 1118576206 /nfs/dbraw/zinc/57/62/06/1118576206.db2.gz RRWDXBIZDMTNEE-ZWKOTPCHSA-N 1 1 278.484 3.951 20 30 CHEDMO C=CCCCN1CC[N@H+](CCCC=C)C[C@@H]1[C@@H](C)CC ZINC000510414228 1118576209 /nfs/dbraw/zinc/57/62/09/1118576209.db2.gz RRWDXBIZDMTNEE-ZWKOTPCHSA-N 1 1 278.484 3.951 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610504914 1118585618 /nfs/dbraw/zinc/58/56/18/1118585618.db2.gz HWLUMBRPPGQPBB-QGZVFWFLSA-N 1 1 266.319 3.644 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610504914 1118585620 /nfs/dbraw/zinc/58/56/20/1118585620.db2.gz HWLUMBRPPGQPBB-QGZVFWFLSA-N 1 1 266.319 3.644 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)Cn1ccc(=S)c2ccccc21 ZINC000068617015 1128787817 /nfs/dbraw/zinc/78/78/17/1128787817.db2.gz SZXMBPZDTSHHQK-ZDUSSCGKSA-N 1 1 285.416 3.810 20 30 CHEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC001167465485 1118601325 /nfs/dbraw/zinc/60/13/25/1118601325.db2.gz WWBWSVMGRSGLBO-CVEARBPZSA-N 1 1 268.404 3.867 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000178046855 1118613482 /nfs/dbraw/zinc/61/34/82/1118613482.db2.gz LPIUKDRHYCYCBI-IBGZPJMESA-N 1 1 291.398 3.635 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000157911939 1118684102 /nfs/dbraw/zinc/68/41/02/1118684102.db2.gz FGCGUHRFIOFLMK-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1ccccc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000157911939 1118684106 /nfs/dbraw/zinc/68/41/06/1118684106.db2.gz FGCGUHRFIOFLMK-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC23CCCCC3)c(F)c1 ZINC000707345868 1118715398 /nfs/dbraw/zinc/71/53/98/1118715398.db2.gz HMGLREAZCFEZOP-UHFFFAOYSA-N 1 1 258.340 3.606 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657688 1118732350 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CC(C)[N@@H+](Cc1cccc(F)c1)Cc1ccnc(C#N)c1 ZINC000610991396 1118917945 /nfs/dbraw/zinc/91/79/45/1118917945.db2.gz HZSQLQROTAMSPS-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1C#N ZINC000610992434 1118918705 /nfs/dbraw/zinc/91/87/05/1118918705.db2.gz DEQHPXGXOPMCSF-INIZCTEOSA-N 1 1 272.392 3.577 20 30 CHEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000538726362 1118949444 /nfs/dbraw/zinc/94/94/44/1118949444.db2.gz MOOQFEZNZVCKSZ-SFHVURJKSA-N 1 1 296.418 3.608 20 30 CHEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000539197627 1118981286 /nfs/dbraw/zinc/98/12/86/1118981286.db2.gz OABILCFBAVFNNE-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000539197627 1118981289 /nfs/dbraw/zinc/98/12/89/1118981289.db2.gz OABILCFBAVFNNE-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000539250242 1118985872 /nfs/dbraw/zinc/98/58/72/1118985872.db2.gz 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ZINC000157621326 1119410124 /nfs/dbraw/zinc/41/01/24/1119410124.db2.gz IPAAVFBZXIPWHH-UHFFFAOYSA-N 1 1 277.371 3.523 20 30 CHEDMO CC#CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000167687610 1119423169 /nfs/dbraw/zinc/42/31/69/1119423169.db2.gz VOFLNLPBEBLTDG-QMMMGPOBSA-N 1 1 260.139 3.806 20 30 CHEDMO CCCc1[nH+]ccn1Cc1ccccc1C(C)(C)C#N ZINC000158047728 1119427084 /nfs/dbraw/zinc/42/70/84/1119427084.db2.gz KFWGEKFGXXYJLA-UHFFFAOYSA-N 1 1 267.376 3.685 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000343490812 1119433636 /nfs/dbraw/zinc/43/36/36/1119433636.db2.gz MHJFQPFBUXERPI-UHFFFAOYSA-N 1 1 287.382 3.636 20 30 CHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000131307100 1119452253 /nfs/dbraw/zinc/45/22/53/1119452253.db2.gz DEBQTQWIYQKGQV-SUMWQHHRSA-N 1 1 282.412 3.998 20 30 CHEDMO CCSc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343567058 1119456734 /nfs/dbraw/zinc/45/67/34/1119456734.db2.gz VIXYEHUYNFHERB-GFCCVEGCSA-N 1 1 260.406 3.753 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343609872 1119471105 /nfs/dbraw/zinc/47/11/05/1119471105.db2.gz MJJVPXGOHKQAJB-IBGZPJMESA-N 1 1 293.414 3.818 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccnc1 ZINC000343717924 1119493565 /nfs/dbraw/zinc/49/35/65/1119493565.db2.gz SPCYVMQFKJTSOC-UHFFFAOYSA-N 1 1 279.387 3.558 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1F ZINC000169178082 1119498871 /nfs/dbraw/zinc/49/88/71/1119498871.db2.gz GIFBLAVPDJCUDP-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1F ZINC000169178082 1119498872 /nfs/dbraw/zinc/49/88/72/1119498872.db2.gz GIFBLAVPDJCUDP-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2C)no1 ZINC001212325529 1128851601 /nfs/dbraw/zinc/85/16/01/1128851601.db2.gz SXNDXUWZMVSWQH-ZDUSSCGKSA-N 1 1 289.766 3.502 20 30 CHEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](C#N)CCC#N ZINC000584405406 1119527641 /nfs/dbraw/zinc/52/76/41/1119527641.db2.gz FGBZOJLBMGZFMV-WBVHZDCISA-N 1 1 299.418 3.816 20 30 CHEDMO Cc1ncsc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872471 1119572667 /nfs/dbraw/zinc/57/26/67/1119572667.db2.gz DDSKABFRGCHNOG-HOTGVXAUSA-N 1 1 297.427 3.723 20 30 CHEDMO Cc1ncsc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872471 1119572668 /nfs/dbraw/zinc/57/26/68/1119572668.db2.gz DDSKABFRGCHNOG-HOTGVXAUSA-N 1 1 297.427 3.723 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000628405528 1128855844 /nfs/dbraw/zinc/85/58/44/1128855844.db2.gz NYVCSXONCWUOEH-CYBMUJFWSA-N 1 1 285.416 3.603 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000628406477 1128856180 /nfs/dbraw/zinc/85/61/80/1128856180.db2.gz KOVQOBWILROKKT-CQSZACIVSA-N 1 1 252.361 3.633 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1 ZINC000480507983 1119590470 /nfs/dbraw/zinc/59/04/70/1119590470.db2.gz BZIANCUAVZTUTO-QGZVFWFLSA-N 1 1 286.419 3.728 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000628405387 1128856319 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/nfs/dbraw/zinc/05/18/15/1122051815.db2.gz CGDQJLYGRSPEMP-CALCHBBNSA-N 1 1 271.404 3.873 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421005382 1122060481 /nfs/dbraw/zinc/06/04/81/1122060481.db2.gz JEXUAYWMYFBEEX-ZFWWWQNUSA-N 1 1 267.438 3.847 20 30 CHEDMO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC001206457847 1122072201 /nfs/dbraw/zinc/07/22/01/1122072201.db2.gz XYRKFKORDOSXRW-RDTXWAMCSA-N 1 1 266.388 3.866 20 30 CHEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000502499406 1122096279 /nfs/dbraw/zinc/09/62/79/1122096279.db2.gz DSUNINCNTBHVCC-GOSISDBHSA-N 1 1 264.372 3.756 20 30 CHEDMO C#CCCCCCCNc1ccc(-c2cnn(C)c2)c(C)[nH+]1 ZINC001181944378 1122098717 /nfs/dbraw/zinc/09/87/17/1122098717.db2.gz CFKXRJSXOYBNBG-UHFFFAOYSA-N 1 1 296.418 3.786 20 30 CHEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccsc1 ZINC000421372790 1122104178 /nfs/dbraw/zinc/10/41/78/1122104178.db2.gz MRDQBEVHZRZBBZ-ZDUSSCGKSA-N 1 1 287.432 3.930 20 30 CHEDMO C=C(C)CNC(=O)[C@@H](c1ccccc1)[N@H+](CC)CCCC ZINC001182237969 1122125446 /nfs/dbraw/zinc/12/54/46/1122125446.db2.gz YTWCHUWAODEZOQ-QGZVFWFLSA-N 1 1 288.435 3.542 20 30 CHEDMO COc1ccc(N[NH+]=C2CCCNc3ccccc32)cc1 ZINC000774394164 1122160255 /nfs/dbraw/zinc/16/02/55/1122160255.db2.gz LXKYKFMLSWNAMA-UHFFFAOYSA-N 1 1 281.359 3.717 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001206542063 1122190580 /nfs/dbraw/zinc/19/05/80/1122190580.db2.gz QLLIKGJWCNJDOU-KRWDZBQOSA-N 1 1 266.473 3.964 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001206542063 1122190583 /nfs/dbraw/zinc/19/05/83/1122190583.db2.gz QLLIKGJWCNJDOU-KRWDZBQOSA-N 1 1 266.473 3.964 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC001183065620 1122204785 /nfs/dbraw/zinc/20/47/85/1122204785.db2.gz MTPPQOQUEUDYFH-NSHDSACASA-N 1 1 298.213 3.847 20 30 CHEDMO C=CCCC(C)(C)C[NH2+]Cc1cc(F)c(F)cc1O ZINC001183255453 1122214854 /nfs/dbraw/zinc/21/48/54/1122214854.db2.gz BVCIVVXFAADVQI-UHFFFAOYSA-N 1 1 269.335 3.752 20 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VPNUVAIZFARBKV-IRXDYDNUSA-N 1 1 254.377 3.724 20 30 CHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000435280598 1122452870 /nfs/dbraw/zinc/45/28/70/1122452870.db2.gz SZQZDTDQLYWXKU-SFHVURJKSA-N 1 1 299.393 3.865 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000515313398 1122491760 /nfs/dbraw/zinc/49/17/60/1122491760.db2.gz BUCQDBZVKUYZHK-JKSUJKDBSA-N 1 1 297.801 3.538 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000515313398 1122491765 /nfs/dbraw/zinc/49/17/65/1122491765.db2.gz BUCQDBZVKUYZHK-JKSUJKDBSA-N 1 1 297.801 3.538 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000435891364 1122496135 /nfs/dbraw/zinc/49/61/35/1122496135.db2.gz DLKAOGNZJUWYPW-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cccc(F)c2C1 ZINC000435891364 1122496138 /nfs/dbraw/zinc/49/61/38/1122496138.db2.gz DLKAOGNZJUWYPW-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000505777616 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C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1Cl ZINC000505891941 1122589822 /nfs/dbraw/zinc/58/98/22/1122589822.db2.gz SJSVKJZPNAULEV-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO C[C@H](Cc1ccsc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001191406885 1122597391 /nfs/dbraw/zinc/59/73/91/1122597391.db2.gz CAGAMSYEPAGBJL-CQSZACIVSA-N 1 1 284.428 3.725 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC001191453263 1122597629 /nfs/dbraw/zinc/59/76/29/1122597629.db2.gz FICWWLNTTQTICP-NZSAHSFTSA-N 1 1 287.447 3.829 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2cc3ccccc3o2)c(F)c1 ZINC000105642761 1122602340 /nfs/dbraw/zinc/60/23/40/1122602340.db2.gz YIDVVLSFNZVNGX-UHFFFAOYSA-N 1 1 280.302 3.733 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCN(c2ccccc2)C1 ZINC001205583834 1122632145 /nfs/dbraw/zinc/63/21/45/1122632145.db2.gz WJIZHBQBEFRIHS-SJORKVTESA-N 1 1 270.420 3.553 20 30 CHEDMO CC#CC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001192199523 1122632206 /nfs/dbraw/zinc/63/22/06/1122632206.db2.gz NQTDCVQSSGYQRF-SWNWVQGVSA-N 1 1 253.389 3.968 20 30 CHEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000437422032 1122633801 /nfs/dbraw/zinc/63/38/01/1122633801.db2.gz YTJKNXMLQHNSDK-UHFFFAOYSA-N 1 1 282.334 3.782 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC000437431825 1122634744 /nfs/dbraw/zinc/63/47/44/1122634744.db2.gz KWNSCUAMWDRWKE-UHFFFAOYSA-N 1 1 294.345 3.924 20 30 CHEDMO C=CCC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001192323825 1122638491 /nfs/dbraw/zinc/63/84/91/1122638491.db2.gz FOXXHFKHWFESHD-LLVKDONJSA-N 1 1 280.209 3.772 20 30 CHEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000437642059 1122646568 /nfs/dbraw/zinc/64/65/68/1122646568.db2.gz SSHZYKKUUBNXMB-GOSISDBHSA-N 1 1 298.817 3.867 20 30 CHEDMO CCC#C[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192443094 1122646895 /nfs/dbraw/zinc/64/68/95/1122646895.db2.gz IDODRRAPVACFSD-KBPBESRZSA-N 1 1 277.795 3.595 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192443094 1122646898 /nfs/dbraw/zinc/64/68/98/1122646898.db2.gz 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CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001195463842 1122870540 /nfs/dbraw/zinc/87/05/40/1122870540.db2.gz OQKVALSMVFIWFC-LBPRGKRZSA-N 1 1 265.759 3.714 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001195464186 1122870570 /nfs/dbraw/zinc/87/05/70/1122870570.db2.gz RHGNFZIVUUJDJW-KRWDZBQOSA-N 1 1 255.405 3.847 20 30 CHEDMO C=C(C)C[N@H+]1CCc2c(ccc(OC)c2OC)[C@H]1CC ZINC001195788742 1122889491 /nfs/dbraw/zinc/88/94/91/1122889491.db2.gz IQBRGVKLQHZKMC-OAHLLOKOSA-N 1 1 275.392 3.589 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc2c1NCCC2)c1ccc(F)cc1 ZINC000894816486 1122907311 /nfs/dbraw/zinc/90/73/11/1122907311.db2.gz DCORAPMBLOPTGP-GOSISDBHSA-N 1 1 294.373 3.648 20 30 CHEDMO C=CCCC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC001196160477 1122910090 /nfs/dbraw/zinc/91/00/90/1122910090.db2.gz YHEATWCYJVYVDC-INIZCTEOSA-N 1 1 277.383 3.944 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@](O)(c1ccccc1)C(C)C ZINC001196322243 1122917451 /nfs/dbraw/zinc/91/74/51/1122917451.db2.gz LYUOEHCRXXKYGN-OTWHNJEPSA-N 1 1 285.431 3.713 20 30 CHEDMO CCC(CC)CCC[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001196517408 1122924580 /nfs/dbraw/zinc/92/45/80/1122924580.db2.gz CADANKQGNZUZSJ-INIZCTEOSA-N 1 1 280.456 3.579 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000507180332 1122934887 /nfs/dbraw/zinc/93/48/87/1122934887.db2.gz IRWRDAUUCYLHDK-INIZCTEOSA-N 1 1 294.373 3.995 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccc(C#N)cn1 ZINC000519600036 1122948046 /nfs/dbraw/zinc/94/80/46/1122948046.db2.gz AKASENLCZIFZRD-GOSISDBHSA-N 1 1 279.387 3.926 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001197315507 1122951843 /nfs/dbraw/zinc/95/18/43/1122951843.db2.gz JOLVJNUGSVDGGA-ZWKOTPCHSA-N 1 1 287.447 3.890 20 30 CHEDMO C#CC[N@H+](CCc1cc(Cl)cc(Cl)c1)C(C)C ZINC001198026619 1122979395 /nfs/dbraw/zinc/97/93/95/1122979395.db2.gz HDLIFFMTJSOPCI-UHFFFAOYSA-N 1 1 270.203 3.880 20 30 CHEDMO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(C#N)CC1 ZINC000519674147 1123013715 /nfs/dbraw/zinc/01/37/15/1123013715.db2.gz PLXCMENDCXKPRP-XYOKQWHBSA-N 1 1 292.329 3.585 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccncc1C ZINC001205863103 1123029428 /nfs/dbraw/zinc/02/94/28/1123029428.db2.gz UOSZJJBYVWHVGO-UHFFFAOYSA-N 1 1 252.361 3.578 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353708012 1123047678 /nfs/dbraw/zinc/04/76/78/1123047678.db2.gz HNAUNGFHQSHAMI-UHFFFAOYSA-N 1 1 281.783 3.509 20 30 CHEDMO Cc1occc1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000441146959 1123063765 /nfs/dbraw/zinc/06/37/65/1123063765.db2.gz ZJDAVPZOAZVBJM-UHFFFAOYSA-N 1 1 273.763 3.725 20 30 CHEDMO Cc1occc1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441146959 1123063768 /nfs/dbraw/zinc/06/37/68/1123063768.db2.gz ZJDAVPZOAZVBJM-UHFFFAOYSA-N 1 1 273.763 3.725 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000441395535 1123085538 /nfs/dbraw/zinc/08/55/38/1123085538.db2.gz RSEKRCKPYPTDFX-INIZCTEOSA-N 1 1 275.367 3.829 20 30 CHEDMO C=CCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000473924686 1123094043 /nfs/dbraw/zinc/09/40/43/1123094043.db2.gz VXBZGEJWNIEYME-DOTOQJQBSA-N 1 1 259.393 3.641 20 30 CHEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC001201423645 1123098554 /nfs/dbraw/zinc/09/85/54/1123098554.db2.gz PXCMUIKHRCTOMX-VQIMIIECSA-N 1 1 296.414 3.758 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000155132564 1129098883 /nfs/dbraw/zinc/09/88/83/1129098883.db2.gz STNQQKOONJQCTO-HNNXBMFYSA-N 1 1 274.408 3.528 20 30 CHEDMO CC(C)=CCC[C@@H](C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201485494 1123106533 /nfs/dbraw/zinc/10/65/33/1123106533.db2.gz HXPSUDMJGSMFLS-UKRRQHHQSA-N 1 1 279.449 3.643 20 30 CHEDMO CC(C)C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000507749470 1123123099 /nfs/dbraw/zinc/12/30/99/1123123099.db2.gz RJLBMFCZFKVWSH-UHFFFAOYSA-N 1 1 296.418 3.607 20 30 CHEDMO CCCCCCCCCCC[N@@H+]1CCn2ncnc2C1 ZINC001201630854 1123129098 /nfs/dbraw/zinc/12/90/98/1123129098.db2.gz FAZLHTZDEPCHJM-UHFFFAOYSA-N 1 1 278.444 3.625 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CCn2ncnc2C1 ZINC001201630854 1123129099 /nfs/dbraw/zinc/12/90/99/1123129099.db2.gz FAZLHTZDEPCHJM-UHFFFAOYSA-N 1 1 278.444 3.625 20 30 CHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCCCCCC)C2 ZINC001201777312 1123151445 /nfs/dbraw/zinc/15/14/45/1123151445.db2.gz VTANMBCECVOLSB-MSOLQXFVSA-N 1 1 295.467 3.783 20 30 CHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCCCCC)C2 ZINC001201777316 1123151492 /nfs/dbraw/zinc/15/14/92/1123151492.db2.gz VTANMBCECVOLSB-ZWKOTPCHSA-N 1 1 295.467 3.783 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001201852660 1123152101 /nfs/dbraw/zinc/15/21/01/1123152101.db2.gz GPQBHRSKYARQRG-GASCZTMLSA-N 1 1 289.410 3.951 20 30 CHEDMO CCCCCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC001201787804 1123152180 /nfs/dbraw/zinc/15/21/80/1123152180.db2.gz NOMYXPXHGLSZBI-UHFFFAOYSA-N 1 1 288.479 3.817 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001201852592 1123152339 /nfs/dbraw/zinc/15/23/39/1123152339.db2.gz DQAOZQRBNMEOBY-QGZVFWFLSA-N 1 1 281.440 3.909 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201852619 1123152429 /nfs/dbraw/zinc/15/24/29/1123152429.db2.gz DWRKRJTXASAJOM-IRXDYDNUSA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001201840385 1123154844 /nfs/dbraw/zinc/15/48/44/1123154844.db2.gz ZKDOLRFGIVZIMN-CVEARBPZSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](C)CC1 ZINC001201840260 1123155032 /nfs/dbraw/zinc/15/50/32/1123155032.db2.gz XKHWEHKDNNAIBY-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001201847686 1123156085 /nfs/dbraw/zinc/15/60/85/1123156085.db2.gz ZFTVDBIXYDASOT-INIZCTEOSA-N 1 1 282.472 3.537 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000054179089 1123173299 /nfs/dbraw/zinc/17/32/99/1123173299.db2.gz NUJWSJJNNCEZJP-SECBINFHSA-N 1 1 274.311 3.548 20 30 CHEDMO C=CCC[C@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000320610682 1123213077 /nfs/dbraw/zinc/21/30/77/1123213077.db2.gz COXSOVKKPHKSFP-GFCCVEGCSA-N 1 1 276.767 3.627 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(CO)CC1 ZINC001252123382 1123223612 /nfs/dbraw/zinc/22/36/12/1123223612.db2.gz GPLSJHCPVVJRLO-ROUUACIJSA-N 1 1 299.499 3.582 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001252123375 1123223754 /nfs/dbraw/zinc/22/37/54/1123223754.db2.gz GPLSJHCPVVJRLO-QZTJIDSGSA-N 1 1 299.499 3.582 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156196229 1129109952 /nfs/dbraw/zinc/10/99/52/1129109952.db2.gz AOLPUPJHQQVFGI-ZDUSSCGKSA-N 1 1 273.376 3.932 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CCCC1 ZINC000895141971 1123276608 /nfs/dbraw/zinc/27/66/08/1123276608.db2.gz MYJQDCLDNMMAKG-UHFFFAOYSA-N 1 1 282.309 3.937 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428227064 1123280870 /nfs/dbraw/zinc/28/08/70/1123280870.db2.gz IRYPUNGWPLEZPQ-LJQANCHMSA-N 1 1 294.373 3.861 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000109378155 1123287291 /nfs/dbraw/zinc/28/72/91/1123287291.db2.gz XQRMKNROEXLOTM-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1 ZINC000776485888 1123297208 /nfs/dbraw/zinc/29/72/08/1123297208.db2.gz BGRPXGKCMHTVRO-OAHLLOKOSA-N 1 1 296.439 3.876 20 30 CHEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487413967 1123302457 /nfs/dbraw/zinc/30/24/57/1123302457.db2.gz SQCKSAOKVKCCAW-KGLIPLIRSA-N 1 1 256.393 3.718 20 30 CHEDMO FC(F)(F)CCN[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000794544723 1123318606 /nfs/dbraw/zinc/31/86/06/1123318606.db2.gz DUJFTTNCPJXENH-UHFFFAOYSA-N 1 1 299.340 3.553 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccs2)ccc1C#N ZINC000442814014 1123340795 /nfs/dbraw/zinc/34/07/95/1123340795.db2.gz UJTAFOPHWDWPPN-HNNXBMFYSA-N 1 1 298.411 3.965 20 30 CHEDMO COc1cc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)ccc1C#N ZINC000442884348 1123346793 /nfs/dbraw/zinc/34/67/93/1123346793.db2.gz KCTLBUWSARRVDQ-KGLIPLIRSA-N 1 1 272.392 3.577 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442883449 1123347016 /nfs/dbraw/zinc/34/70/16/1123347016.db2.gz HGELTTWXZZBVHS-UHFFFAOYSA-N 1 1 275.318 3.607 20 30 CHEDMO COc1cc(C[N@@H+](C)C[C@H](C)c2ccccc2)ccc1C#N ZINC000442882107 1123347196 /nfs/dbraw/zinc/34/71/96/1123347196.db2.gz CINFVZXNNLXLMG-HNNXBMFYSA-N 1 1 294.398 3.802 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)C)ccc1C#N ZINC000442881635 1123347275 /nfs/dbraw/zinc/34/72/75/1123347275.db2.gz BGMGELHELCGNOL-MRXNPFEDSA-N 1 1 272.392 3.577 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000442899737 1123347634 /nfs/dbraw/zinc/34/76/34/1123347634.db2.gz QPDJMGVLOODOLF-CZUORRHYSA-N 1 1 256.393 3.987 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442893249 1123347766 /nfs/dbraw/zinc/34/77/66/1123347766.db2.gz XFCXOADCOBKVDQ-ZDUSSCGKSA-N 1 1 292.448 3.530 20 30 CHEDMO CCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nc1 ZINC000338936553 1123356421 /nfs/dbraw/zinc/35/64/21/1123356421.db2.gz PXFMBUWQJONMBL-UHFFFAOYSA-N 1 1 293.414 3.926 20 30 CHEDMO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3C#N)cc2c1C ZINC000335693646 1123395983 /nfs/dbraw/zinc/39/59/83/1123395983.db2.gz KSDPGBGOOYIGJX-XJKSGUPXSA-N 1 1 267.376 3.567 20 30 CHEDMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330670 1123403042 /nfs/dbraw/zinc/40/30/42/1123403042.db2.gz GOBUVVURCBZZCZ-AOIWGVFYSA-N 1 1 297.446 3.765 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C)nc1Cl)C(C)(C)C ZINC000852554033 1123408756 /nfs/dbraw/zinc/40/87/56/1123408756.db2.gz AUFCBSAGYPYJKN-UHFFFAOYSA-N 1 1 252.789 3.830 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C)nc1Cl)C(C)(C)C ZINC000852554033 1123408757 /nfs/dbraw/zinc/40/87/57/1123408757.db2.gz AUFCBSAGYPYJKN-UHFFFAOYSA-N 1 1 252.789 3.830 20 30 CHEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C ZINC000852554397 1123408793 /nfs/dbraw/zinc/40/87/93/1123408793.db2.gz LJWNGKQTDJFWRL-CQSZACIVSA-N 1 1 267.800 3.660 20 30 CHEDMO C=CC[N@H+](Cc1nc(C)c2ccccc2n1)C(C)(C)C ZINC000852554026 1123409026 /nfs/dbraw/zinc/40/90/26/1123409026.db2.gz ARFDDUCOMFHXBZ-UHFFFAOYSA-N 1 1 269.392 3.725 20 30 CHEDMO CC[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019254 1123410010 /nfs/dbraw/zinc/41/00/10/1123410010.db2.gz IAQQOAYVIZXCSV-UKBAYJJMSA-N 1 1 299.462 3.710 20 30 CHEDMO N#CCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000142748733 1123412099 /nfs/dbraw/zinc/41/20/99/1123412099.db2.gz HMSDJPWMNIWQFJ-KRWDZBQOSA-N 1 1 250.345 3.890 20 30 CHEDMO C#CC[C@@H]1CCCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000853708007 1123448261 /nfs/dbraw/zinc/44/82/61/1123448261.db2.gz BMEBSNMGXJGRNA-GFCCVEGCSA-N 1 1 282.309 3.649 20 30 CHEDMO N#Cc1cc(C[NH+]2CCC(c3ccco3)CC2)cs1 ZINC000895322343 1123455480 /nfs/dbraw/zinc/45/54/80/1123455480.db2.gz XOMOSHHXTVQHLD-UHFFFAOYSA-N 1 1 272.373 3.592 20 30 CHEDMO N#CCC1C[NH+](Cc2cccc(COc3ccccc3)c2)C1 ZINC000895345030 1123463770 /nfs/dbraw/zinc/46/37/70/1123463770.db2.gz XGULMDGYHSOOBL-UHFFFAOYSA-N 1 1 292.382 3.611 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474236779 1123492047 /nfs/dbraw/zinc/49/20/47/1123492047.db2.gz XOACUGIQDJPYHV-FUHWJXTLSA-N 1 1 273.420 3.767 20 30 CHEDMO CCCCC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000779809179 1129126652 /nfs/dbraw/zinc/12/66/52/1129126652.db2.gz GEMROIRZMBCOAE-UHFFFAOYSA-N 1 1 253.349 3.510 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)c(Cl)c1 ZINC000779810063 1129127241 /nfs/dbraw/zinc/12/72/41/1129127241.db2.gz ZCWGLYWLQXYJKC-UHFFFAOYSA-N 1 1 280.158 3.646 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141854742 1123530016 /nfs/dbraw/zinc/53/00/16/1123530016.db2.gz OAERFROHHXJPNO-LBPRGKRZSA-N 1 1 272.323 3.698 20 30 CHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399151585 1123534335 /nfs/dbraw/zinc/53/43/35/1123534335.db2.gz ZIVPPMVNGXPHPN-AWEZNQCLSA-N 1 1 296.336 3.915 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OC)cc1 ZINC000428298724 1123545067 /nfs/dbraw/zinc/54/50/67/1123545067.db2.gz COCREXHSZZFVLM-GOSISDBHSA-N 1 1 298.361 3.947 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)ccc1OC(F)F)C1CC1 ZINC000428301196 1123587081 /nfs/dbraw/zinc/58/70/81/1123587081.db2.gz OBIKLRHNCPSLMI-UHFFFAOYSA-N 1 1 267.319 3.747 20 30 CHEDMO CC(C)C[N@@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC000896661705 1123609887 /nfs/dbraw/zinc/60/98/87/1123609887.db2.gz USINAADAGZRMKT-UHFFFAOYSA-N 1 1 285.416 3.673 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)C1CCCCC1 ZINC000475039624 1123654362 /nfs/dbraw/zinc/65/43/62/1123654362.db2.gz RDLBDLVKWUYHCA-QGZVFWFLSA-N 1 1 280.456 3.579 20 30 CHEDMO CCCc1nc(C)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000428319584 1123661038 /nfs/dbraw/zinc/66/10/38/1123661038.db2.gz GMZWSMLCUZYEIR-UHFFFAOYSA-N 1 1 295.386 3.586 20 30 CHEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)on1 ZINC000346782088 1123711877 /nfs/dbraw/zinc/71/18/77/1123711877.db2.gz SDQVMWPOHOYPFN-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(F)c1 ZINC000346898609 1123730035 /nfs/dbraw/zinc/73/00/35/1123730035.db2.gz HODMTXYLWLBDDP-UHFFFAOYSA-N 1 1 297.377 3.751 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000346959591 1123737171 /nfs/dbraw/zinc/73/71/71/1123737171.db2.gz ISESSHCKMRXQOK-KRWDZBQOSA-N 1 1 288.435 3.542 20 30 CHEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000428327590 1123748379 /nfs/dbraw/zinc/74/83/79/1123748379.db2.gz UKZDHZRTBULCSO-UHFFFAOYSA-N 1 1 286.325 3.861 20 30 CHEDMO CCCCCCCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000195621192 1129147873 /nfs/dbraw/zinc/14/78/73/1129147873.db2.gz MYLLUOZBQRXUMJ-HZPDHXFCSA-N 1 1 282.472 3.584 20 30 CHEDMO C=CC[N@H+](Cc1cc(OCC)c(OC)cc1F)C(C)C ZINC000862224899 1123793423 /nfs/dbraw/zinc/79/34/23/1123793423.db2.gz UXNCDRVSILGCEX-UHFFFAOYSA-N 1 1 281.371 3.629 20 30 CHEDMO Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001141988292 1123796627 /nfs/dbraw/zinc/79/66/27/1123796627.db2.gz PCNKYLPDNGZZGP-HNNXBMFYSA-N 1 1 295.386 3.776 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000862446827 1123811192 /nfs/dbraw/zinc/81/11/92/1123811192.db2.gz GBBYZJZDOHTXTL-OAHLLOKOSA-N 1 1 296.439 3.964 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000186185404 1123812654 /nfs/dbraw/zinc/81/26/54/1123812654.db2.gz SEUQBXSQGKLXCI-ZDUSSCGKSA-N 1 1 254.333 3.653 20 30 CHEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC001142006675 1123835829 /nfs/dbraw/zinc/83/58/29/1123835829.db2.gz CCSAIWIHTJZMHC-WBVHZDCISA-N 1 1 294.483 3.726 20 30 CHEDMO C#CC[N@@H+](Cc1cccs1)[C@H]1CCc2ccccc21 ZINC000195672712 1129148622 /nfs/dbraw/zinc/14/86/22/1129148622.db2.gz IKDUVESNCBUCKK-KRWDZBQOSA-N 1 1 267.397 3.871 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000186326901 1123847521 /nfs/dbraw/zinc/84/75/21/1123847521.db2.gz MJZFLLXIWWNEPR-CYBMUJFWSA-N 1 1 285.416 3.559 20 30 CHEDMO Clc1ccc([C@@H]2CCC(=[NH+]n3cccn3)C2)cc1 ZINC000863163705 1123847999 /nfs/dbraw/zinc/84/79/99/1123847999.db2.gz MRYPVFZLPNUCFY-GFCCVEGCSA-N 1 1 259.740 3.708 20 30 CHEDMO CC(C)[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000794523965 1123866103 /nfs/dbraw/zinc/86/61/03/1123866103.db2.gz MBLNAMUTKJQAIB-JTQLQIEISA-N 1 1 284.201 3.696 20 30 CHEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000339058398 1123875860 /nfs/dbraw/zinc/87/58/60/1123875860.db2.gz CXFCRLHEDCQEGI-GOSISDBHSA-N 1 1 286.419 3.877 20 30 CHEDMO C=CCOc1ccccc1CNc1cc[nH+]cc1Cl ZINC000301504287 1123906266 /nfs/dbraw/zinc/90/62/66/1123906266.db2.gz ICZRQRSPJAGTLC-UHFFFAOYSA-N 1 1 274.751 3.912 20 30 CHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)c1 ZINC000428344554 1123915482 /nfs/dbraw/zinc/91/54/82/1123915482.db2.gz GZQOSUSBCAYLLY-INIZCTEOSA-N 1 1 294.373 3.995 20 30 CHEDMO C=CCC[C@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC001252591590 1123931352 /nfs/dbraw/zinc/93/13/52/1123931352.db2.gz XEZDVXBTPBXRNA-LBPRGKRZSA-N 1 1 276.767 3.627 20 30 CHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000106245594 1124018010 /nfs/dbraw/zinc/01/80/10/1124018010.db2.gz JWPWCPRHRXYZQA-UHFFFAOYSA-N 1 1 286.463 3.940 20 30 CHEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000399449417 1124038592 /nfs/dbraw/zinc/03/85/92/1124038592.db2.gz HULFSLVJMMVXNQ-HNNXBMFYSA-N 1 1 262.784 3.834 20 30 CHEDMO CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866240467 1124040700 /nfs/dbraw/zinc/04/07/00/1124040700.db2.gz GMAMGXLDZZEUQM-CYBMUJFWSA-N 1 1 296.370 3.513 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444709708 1124056382 /nfs/dbraw/zinc/05/63/82/1124056382.db2.gz UBERGVRYSBPWOR-LLVKDONJSA-N 1 1 262.319 3.591 20 30 CHEDMO C=CC[C@H]1[N@H+](CCN2CCCCC2)CCCC1(C)C ZINC000444773656 1124062109 /nfs/dbraw/zinc/06/21/09/1124062109.db2.gz FHSISSPZNOBLLR-MRXNPFEDSA-N 1 1 264.457 3.539 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCC(=O)NC2CCCC2)CCCC1(C)C ZINC000444776042 1124062310 /nfs/dbraw/zinc/06/23/10/1124062310.db2.gz AUMPQTRQWODVQQ-INIZCTEOSA-N 1 1 292.467 3.502 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC23CCC3)c(OC(F)F)c1 ZINC000444772472 1124062415 /nfs/dbraw/zinc/06/24/15/1124062415.db2.gz ANYVZWXWPQSYTL-UHFFFAOYSA-N 1 1 292.329 3.678 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nc(CCC)no2)CCCC1(C)C ZINC000444773463 1124062832 /nfs/dbraw/zinc/06/28/32/1124062832.db2.gz DNSYDPKEFUOFHN-CYBMUJFWSA-N 1 1 277.412 3.589 20 30 CHEDMO C=CC[C@H]1[N@H+](C[C@H]2CCCCO2)CCCC1(C)C ZINC000444779014 1124064363 /nfs/dbraw/zinc/06/43/63/1124064363.db2.gz XCZKWKWAJXBWAE-HUUCEWRRSA-N 1 1 251.414 3.622 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428445281 1124115061 /nfs/dbraw/zinc/11/50/61/1124115061.db2.gz YIKBFQYUSFOLSR-AWEZNQCLSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000446712370 1124118719 /nfs/dbraw/zinc/11/87/19/1124118719.db2.gz QWBGABXGSLHCLQ-IBGZPJMESA-N 1 1 294.373 3.861 20 30 CHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000525328546 1124122692 /nfs/dbraw/zinc/12/26/92/1124122692.db2.gz BCEAKTGXXQCGEK-WBVHZDCISA-N 1 1 286.419 3.838 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cnn(CCC)c2)CCCC1(C)C ZINC000446828957 1124124287 /nfs/dbraw/zinc/12/42/87/1124124287.db2.gz BKNFIXUQACNWEX-MRXNPFEDSA-N 1 1 275.440 3.860 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)ccc1C#N ZINC001238778593 1131244250 /nfs/dbraw/zinc/24/42/50/1131244250.db2.gz PCYRJBFEEIKQQK-QGZVFWFLSA-N 1 1 286.419 3.510 20 30 CHEDMO CCc1cc(C[N@@H+](C)CCc2cccs2)ccc1C#N ZINC001238779933 1131246266 /nfs/dbraw/zinc/24/62/66/1131246266.db2.gz ZCTBMJIUMDEOBF-UHFFFAOYSA-N 1 1 284.428 3.857 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000525641006 1124453155 /nfs/dbraw/zinc/45/31/55/1124453155.db2.gz OLBFHOSFBGGRHV-OLZOCXBDSA-N 1 1 260.356 3.708 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)C2CC2)s1 ZINC001119700107 1131262056 /nfs/dbraw/zinc/26/20/56/1131262056.db2.gz DYLJBIQEOMYWBD-UHFFFAOYSA-N 1 1 282.412 3.827 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1ccc(C#N)cc1 ZINC000447537109 1124484337 /nfs/dbraw/zinc/48/43/37/1124484337.db2.gz SPPXIPVPCPDVGB-QGZVFWFLSA-N 1 1 296.418 3.652 20 30 CHEDMO CC[C@@H](NC[C@H](CC(C)C)[NH+](C)C)c1ccc(C#N)cc1 ZINC000447539358 1124484691 /nfs/dbraw/zinc/48/46/91/1124484691.db2.gz GVDIFOPNTGDJTC-ZWKOTPCHSA-N 1 1 287.451 3.575 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000122342590 1124491489 /nfs/dbraw/zinc/49/14/89/1124491489.db2.gz FPDXIIQMCIPSMQ-DLBZAZTESA-N 1 1 296.499 3.926 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000508603591 1124492299 /nfs/dbraw/zinc/49/22/99/1124492299.db2.gz JNVUMMUDLXUPJF-UHFFFAOYSA-N 1 1 294.398 3.979 20 30 CHEDMO CC[C@@H](N[C@H](C)C[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000447609339 1124499275 /nfs/dbraw/zinc/49/92/75/1124499275.db2.gz XWXSEWGTEBETRA-VQIMIIECSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000448196440 1124569827 /nfs/dbraw/zinc/56/98/27/1124569827.db2.gz KPAFOGSALVFOAU-UHFFFAOYSA-N 1 1 267.347 3.699 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC001120008104 1131269950 /nfs/dbraw/zinc/26/99/50/1131269950.db2.gz KCZPVDKCZKEEQQ-LJQANCHMSA-N 1 1 298.430 3.566 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000448455166 1124583115 /nfs/dbraw/zinc/58/31/15/1124583115.db2.gz BUEGCGMPWGPANK-ZDUSSCGKSA-N 1 1 285.387 3.858 20 30 CHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000448455166 1124583120 /nfs/dbraw/zinc/58/31/20/1124583120.db2.gz BUEGCGMPWGPANK-ZDUSSCGKSA-N 1 1 285.387 3.858 20 30 CHEDMO COc1cccc2c(C[N@@H+](CCC#N)CC3CC3)cccc12 ZINC000449021052 1124638208 /nfs/dbraw/zinc/63/82/08/1124638208.db2.gz BLNOIMGJQVBFTJ-UHFFFAOYSA-N 1 1 294.398 3.974 20 30 CHEDMO C=CC[C@@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449151721 1124656466 /nfs/dbraw/zinc/65/64/66/1124656466.db2.gz YHIOIYAOSIOKRX-IAGOWNOFSA-N 1 1 286.463 3.636 20 30 CHEDMO Cc1ccc(C[N@@H+](CC2(C#N)CC2)C(C)(C)C)cc1 ZINC000528591615 1124710262 /nfs/dbraw/zinc/71/02/62/1124710262.db2.gz IXCOFBLKYCMMMQ-UHFFFAOYSA-N 1 1 256.393 3.899 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000449389832 1124719499 /nfs/dbraw/zinc/71/94/99/1124719499.db2.gz UHDJRXTWELHLFK-GLJUWKHASA-N 1 1 280.371 3.918 20 30 CHEDMO C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449486744 1124765247 /nfs/dbraw/zinc/76/52/47/1124765247.db2.gz VCHUNTSAMBVGRD-FUHWJXTLSA-N 1 1 286.463 3.699 20 30 CHEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000528796187 1124810372 /nfs/dbraw/zinc/81/03/72/1124810372.db2.gz KSHZKESOSSTCOA-WCQYABFASA-N 1 1 294.320 3.756 20 30 CHEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000528796187 1124810376 /nfs/dbraw/zinc/81/03/76/1124810376.db2.gz KSHZKESOSSTCOA-WCQYABFASA-N 1 1 294.320 3.756 20 30 CHEDMO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncco1 ZINC001252980497 1124923571 /nfs/dbraw/zinc/92/35/71/1124923571.db2.gz QFWKBPAKHSKOAQ-OAHLLOKOSA-N 1 1 282.428 3.656 20 30 CHEDMO C#CC[N@H+](C[C@H](C)CCC#N)[C@H]1CCc2ccccc21 ZINC000876513651 1124956485 /nfs/dbraw/zinc/95/64/85/1124956485.db2.gz OQTGHFJIRWQVGY-QAPCUYQASA-N 1 1 266.388 3.549 20 30 CHEDMO Cc1ccc(C2=CC[N@H+](Cc3cccc(C#N)n3)CC2)cc1 ZINC000876553814 1124959778 /nfs/dbraw/zinc/95/97/78/1124959778.db2.gz ZGCOSEOQLKVLSY-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO Cc1ccc(C2=CC[N@@H+](Cc3cccc(C#N)n3)CC2)cc1 ZINC000876553814 1124959783 /nfs/dbraw/zinc/95/97/83/1124959783.db2.gz ZGCOSEOQLKVLSY-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO N#CC1(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CCC1 ZINC000450274609 1124960592 /nfs/dbraw/zinc/96/05/92/1124960592.db2.gz BLIDATYXMNPBDC-HNNXBMFYSA-N 1 1 258.340 3.656 20 30 CHEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CCC1 ZINC000450274609 1124960600 /nfs/dbraw/zinc/96/06/00/1124960600.db2.gz BLIDATYXMNPBDC-HNNXBMFYSA-N 1 1 258.340 3.656 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000876663609 1124968119 /nfs/dbraw/zinc/96/81/19/1124968119.db2.gz ZGJJFTJKIXECPA-NJAFHUGGSA-N 1 1 286.419 3.514 20 30 CHEDMO N#CC1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCC1 ZINC000450281205 1124969979 /nfs/dbraw/zinc/96/99/79/1124969979.db2.gz BBBGJEGBYHVRKJ-MRXNPFEDSA-N 1 1 272.367 3.526 20 30 CHEDMO N#CC1(C[N@@H+](CCc2cccc(F)c2)C2CC2)CCC1 ZINC000450399405 1125012048 /nfs/dbraw/zinc/01/20/48/1125012048.db2.gz CYJCJJWTULVXGY-UHFFFAOYSA-N 1 1 272.367 3.526 20 30 CHEDMO N#CC1(C[N@H+](CCc2cccc(F)c2)C2CC2)CCC1 ZINC000450399405 1125012057 /nfs/dbraw/zinc/01/20/57/1125012057.db2.gz CYJCJJWTULVXGY-UHFFFAOYSA-N 1 1 272.367 3.526 20 30 CHEDMO C=CCCC[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000450423918 1125016841 /nfs/dbraw/zinc/01/68/41/1125016841.db2.gz PKXXAYAZMXDSOW-UHFFFAOYSA-N 1 1 263.356 3.687 20 30 CHEDMO Cc1cc([NH+](C)C)cc(C)c1NC[C@@H](C)CCC#N ZINC000877350879 1125024311 /nfs/dbraw/zinc/02/43/11/1125024311.db2.gz PJMZSTAXTWAKEP-LBPRGKRZSA-N 1 1 259.397 3.721 20 30 CHEDMO C#CCCCCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000877397916 1125026049 /nfs/dbraw/zinc/02/60/49/1125026049.db2.gz ANPNTLCTOSPUCW-IBGZPJMESA-N 1 1 283.415 3.702 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC001137120312 1125030518 /nfs/dbraw/zinc/03/05/18/1125030518.db2.gz CVHCZVDBXJJPNZ-GOSISDBHSA-N 1 1 298.430 3.991 20 30 CHEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000877473447 1125031331 /nfs/dbraw/zinc/03/13/31/1125031331.db2.gz MFJWJEIHMAWXLX-UHFFFAOYSA-N 1 1 297.789 3.774 20 30 CHEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000877515595 1125036654 /nfs/dbraw/zinc/03/66/54/1125036654.db2.gz JVTOHIKZCZYPGA-INIZCTEOSA-N 1 1 259.397 3.520 20 30 CHEDMO C=CCOc1ccc(CNc2[nH+]cccc2C)cc1OC ZINC000121260397 1125072817 /nfs/dbraw/zinc/07/28/17/1125072817.db2.gz NVHVYFOZOFSBEM-UHFFFAOYSA-N 1 1 284.359 3.576 20 30 CHEDMO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000450672478 1125083540 /nfs/dbraw/zinc/08/35/40/1125083540.db2.gz LDUYSQYOROJDHD-AAEUAGOBSA-N 1 1 285.778 3.804 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1OC(F)F ZINC000450671524 1125084197 /nfs/dbraw/zinc/08/41/97/1125084197.db2.gz VVXYQBRZOGSPKQ-LLVKDONJSA-N 1 1 280.318 3.632 20 30 CHEDMO N#CC1(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCC1 ZINC000450710143 1125091888 /nfs/dbraw/zinc/09/18/88/1125091888.db2.gz PMCAAABDNMGCIX-OAGJVSPASA-N 1 1 266.388 3.858 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000805766906 1131331239 /nfs/dbraw/zinc/33/12/39/1131331239.db2.gz BVZLXNXCVLZRKD-HZPDHXFCSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805766906 1131331246 /nfs/dbraw/zinc/33/12/46/1131331246.db2.gz BVZLXNXCVLZRKD-HZPDHXFCSA-N 1 1 252.446 3.515 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877953410 1125106110 /nfs/dbraw/zinc/10/61/10/1125106110.db2.gz MHSPPDAVVUUFLG-MAUKXSAKSA-N 1 1 286.419 3.547 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](C)[C@@H]1C)c1ccccc1 ZINC000878129522 1125121888 /nfs/dbraw/zinc/12/18/88/1125121888.db2.gz KJUDRQHIKMUKLO-TXPKVOOTSA-N 1 1 298.430 3.547 20 30 CHEDMO C=CC[C@@H](C)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000878156652 1125124923 /nfs/dbraw/zinc/12/49/23/1125124923.db2.gz NKNCOHIGWNNLRV-MRVPVSSYSA-N 1 1 264.316 3.558 20 30 CHEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000878156652 1125124928 /nfs/dbraw/zinc/12/49/28/1125124928.db2.gz NKNCOHIGWNNLRV-MRVPVSSYSA-N 1 1 264.316 3.558 20 30 CHEDMO C#CCCCCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000878234937 1125134083 /nfs/dbraw/zinc/13/40/83/1125134083.db2.gz DAXWLTKQXFCDCZ-KSZLIROESA-N 1 1 276.468 3.517 20 30 CHEDMO C=CC[C@@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000878342877 1125143088 /nfs/dbraw/zinc/14/30/88/1125143088.db2.gz KIRBBGHUZJANJJ-GFCCVEGCSA-N 1 1 262.784 3.789 20 30 CHEDMO CCCC[N@@H+](Cc1ccccc1O)CC1(CC#N)CC1 ZINC000878565216 1125162583 /nfs/dbraw/zinc/16/25/83/1125162583.db2.gz HAONLYXYCDMHPZ-UHFFFAOYSA-N 1 1 272.392 3.688 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878887352 1125183763 /nfs/dbraw/zinc/18/37/63/1125183763.db2.gz CTESMXHYDVKQQV-IBGZPJMESA-N 1 1 295.430 3.519 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878887352 1125183764 /nfs/dbraw/zinc/18/37/64/1125183764.db2.gz CTESMXHYDVKQQV-IBGZPJMESA-N 1 1 295.430 3.519 20 30 CHEDMO C[N@H+](CCc1cccc(C#N)c1)CC[C@@H]1CC1(Cl)Cl ZINC000879432585 1125214369 /nfs/dbraw/zinc/21/43/69/1125214369.db2.gz MNVATESPAVTKEQ-CQSZACIVSA-N 1 1 297.229 3.616 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CCCCC1 ZINC000879563734 1125219902 /nfs/dbraw/zinc/21/99/02/1125219902.db2.gz FMSUSKBRHBOEBT-CABCVRRESA-N 1 1 278.465 3.535 20 30 CHEDMO C=C(C)CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626126171 1125224309 /nfs/dbraw/zinc/22/43/09/1125224309.db2.gz ILXIVPQWCHAYEZ-CQSZACIVSA-N 1 1 263.356 3.590 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CC2CC2)CC2CCC2)c(F)c1 ZINC000475680616 1125226263 /nfs/dbraw/zinc/22/62/63/1125226263.db2.gz WYHJQBYRBPDENU-UHFFFAOYSA-N 1 1 272.367 3.709 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC000879749116 1125229221 /nfs/dbraw/zinc/22/92/21/1125229221.db2.gz DHQIUHYVQCISIR-LJQANCHMSA-N 1 1 294.373 3.718 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)c1 ZINC000879749116 1125229224 /nfs/dbraw/zinc/22/92/24/1125229224.db2.gz DHQIUHYVQCISIR-LJQANCHMSA-N 1 1 294.373 3.718 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC000879749201 1125229931 /nfs/dbraw/zinc/22/99/31/1125229931.db2.gz ULNJWGUROFDEBB-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000879749201 1125229936 /nfs/dbraw/zinc/22/99/36/1125229936.db2.gz ULNJWGUROFDEBB-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000879750241 1125231603 /nfs/dbraw/zinc/23/16/03/1125231603.db2.gz OLOCYCAOWZNTCR-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000879750241 1125231605 /nfs/dbraw/zinc/23/16/05/1125231605.db2.gz OLOCYCAOWZNTCR-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446392 1125274596 /nfs/dbraw/zinc/27/45/96/1125274596.db2.gz FHSLTVUWGCWNPN-UHFFFAOYSA-N 1 1 278.346 3.653 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cnc(Cl)s1 ZINC000175452174 1125275007 /nfs/dbraw/zinc/27/50/07/1125275007.db2.gz JTGVHKQAYQRNEQ-UHFFFAOYSA-N 1 1 258.818 3.975 20 30 CHEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)c1ccccc1 ZINC000880460965 1125275545 /nfs/dbraw/zinc/27/55/45/1125275545.db2.gz BJLQXQKNQAAKQN-KRWDZBQOSA-N 1 1 288.435 3.762 20 30 CHEDMO C=CC[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1 ZINC000179532078 1125285918 /nfs/dbraw/zinc/28/59/18/1125285918.db2.gz GPMNDGJRANVTSB-UHFFFAOYSA-N 1 1 277.371 3.523 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)ccc1O ZINC000179603236 1125287012 /nfs/dbraw/zinc/28/70/12/1125287012.db2.gz QSDQIRVCZNSOPL-UHFFFAOYSA-N 1 1 289.400 3.651 20 30 CHEDMO N#CCCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191237926 1125323353 /nfs/dbraw/zinc/32/33/53/1125323353.db2.gz IGDOHFAIOFPONI-UHFFFAOYSA-N 1 1 270.298 3.745 20 30 CHEDMO CC(NNc1cccc(C(F)(F)F)[nH+]1)=C1CC1(F)F ZINC000841627233 1125324291 /nfs/dbraw/zinc/32/42/91/1125324291.db2.gz ZTYFXFPYWSWEFM-ZETCQYMHSA-N 1 1 279.212 3.543 20 30 CHEDMO N#CCCC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000399279938 1125338993 /nfs/dbraw/zinc/33/89/93/1125338993.db2.gz AZFIZOJEJMIJPF-UHFFFAOYSA-N 1 1 280.774 3.995 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000193438551 1125344490 /nfs/dbraw/zinc/34/44/90/1125344490.db2.gz ONXAMPLQHGAYEV-INIZCTEOSA-N 1 1 290.455 3.785 20 30 CHEDMO Cn1cc(C[N@@H+](Cc2ccccc2)C(C)(C)C)cc1C#N ZINC000191158754 1125344646 /nfs/dbraw/zinc/34/46/46/1125344646.db2.gz WGAHKDJTXBTGBM-UHFFFAOYSA-N 1 1 281.403 3.697 20 30 CHEDMO Cc1ccc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000610447417 1125347875 /nfs/dbraw/zinc/34/78/75/1125347875.db2.gz FANGXJNSOPBFIE-UHFFFAOYSA-N 1 1 260.381 3.882 20 30 CHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000016421028 1125364786 /nfs/dbraw/zinc/36/47/86/1125364786.db2.gz OFIMLWUFZQWCNC-GFCCVEGCSA-N 1 1 268.385 3.739 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000131097825 1125373518 /nfs/dbraw/zinc/37/35/18/1125373518.db2.gz SNYXTLYCAYMUGT-OAHLLOKOSA-N 1 1 283.371 3.875 20 30 CHEDMO CCCCC(N)=[NH+]OCc1ncc(-c2ccc(C)cc2)o1 ZINC000131268091 1125381175 /nfs/dbraw/zinc/38/11/75/1125381175.db2.gz RZMFQRLKKRDVBK-UHFFFAOYSA-N 1 1 287.363 3.629 20 30 CHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000042248393 1125391690 /nfs/dbraw/zinc/39/16/90/1125391690.db2.gz KVOLUDXYESVSSG-UHFFFAOYSA-N 1 1 270.298 3.829 20 30 CHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000042248393 1125391691 /nfs/dbraw/zinc/39/16/91/1125391691.db2.gz KVOLUDXYESVSSG-UHFFFAOYSA-N 1 1 270.298 3.829 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1n[nH]cc1C)c1ccccc1 ZINC000883325345 1125397191 /nfs/dbraw/zinc/39/71/91/1125397191.db2.gz YGHYUWSMTXCGSP-MRXNPFEDSA-N 1 1 269.392 3.905 20 30 CHEDMO C=CCCCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000193574157 1125398375 /nfs/dbraw/zinc/39/83/75/1125398375.db2.gz BPMNBMVBALDOCX-AWEZNQCLSA-N 1 1 276.428 3.525 20 30 CHEDMO C=CCCCCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000193574157 1125398377 /nfs/dbraw/zinc/39/83/77/1125398377.db2.gz BPMNBMVBALDOCX-AWEZNQCLSA-N 1 1 276.428 3.525 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000883384212 1125407317 /nfs/dbraw/zinc/40/73/17/1125407317.db2.gz NKUABTPCIROYIY-MSOLQXFVSA-N 1 1 280.346 3.673 20 30 CHEDMO Cc1cccc2c1C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000429557896 1125433153 /nfs/dbraw/zinc/43/31/53/1125433153.db2.gz CWKGIUVSSPTICK-HNNXBMFYSA-N 1 1 276.383 3.986 20 30 CHEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(C)cs1 ZINC000105503676 1125436536 /nfs/dbraw/zinc/43/65/36/1125436536.db2.gz RKAOJLGJBMSKSO-AWEZNQCLSA-N 1 1 271.389 3.564 20 30 CHEDMO C[C@@H]1CC[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000429558370 1125437977 /nfs/dbraw/zinc/43/79/77/1125437977.db2.gz FEICLPCHMHMYRZ-CJNGLKHVSA-N 1 1 261.796 3.812 20 30 CHEDMO C=CCCc1ccccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635897652 1129192767 /nfs/dbraw/zinc/19/27/67/1129192767.db2.gz RDQKWIOCORRZEP-UHFFFAOYSA-N 1 1 297.402 3.764 20 30 CHEDMO C=CCCCCC[N@H+](C)CCc1c(C)noc1C ZINC000166008439 1129219885 /nfs/dbraw/zinc/21/98/85/1129219885.db2.gz MALWIHMQRVOWEL-UHFFFAOYSA-N 1 1 250.386 3.512 20 30 CHEDMO CCCCCCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245732481 1129221529 /nfs/dbraw/zinc/22/15/29/1129221529.db2.gz UAUFFPGYGPJULX-ZDUSSCGKSA-N 1 1 280.378 3.525 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)c1cc(C)[nH]c1C ZINC000348068676 1129276538 /nfs/dbraw/zinc/27/65/38/1129276538.db2.gz PNOGUGYQVDQZKP-UHFFFAOYSA-N 1 1 296.414 3.545 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)c1cc(C)[nH]c1C ZINC000348068676 1129276542 /nfs/dbraw/zinc/27/65/42/1129276542.db2.gz PNOGUGYQVDQZKP-UHFFFAOYSA-N 1 1 296.414 3.545 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(C)nc1C ZINC000639864143 1129337486 /nfs/dbraw/zinc/33/74/86/1129337486.db2.gz UZPITAAWMOYQLY-IYBDPMFKSA-N 1 1 256.393 3.690 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247492779 1129373646 /nfs/dbraw/zinc/37/36/46/1129373646.db2.gz ULNMDHRNBSKHBS-CVEARBPZSA-N 1 1 282.472 3.536 20 30 CHEDMO C#CC[N@H+]([C@@H](C)CC1CC1)[C@@H]1CCc2ccccc21 ZINC001258463589 1129385986 /nfs/dbraw/zinc/38/59/86/1129385986.db2.gz ATUUGCMNLAXIAL-KBXCAEBGSA-N 1 1 253.389 3.798 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000739931147 1129409849 /nfs/dbraw/zinc/40/98/49/1129409849.db2.gz QUWYZPDCOSVZSK-INIZCTEOSA-N 1 1 283.362 3.676 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093100836 1129417201 /nfs/dbraw/zinc/41/72/01/1129417201.db2.gz MXPDNVZCRYMZPP-INIZCTEOSA-N 1 1 299.418 3.739 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093100836 1129417202 /nfs/dbraw/zinc/41/72/02/1129417202.db2.gz MXPDNVZCRYMZPP-INIZCTEOSA-N 1 1 299.418 3.739 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000093335762 1129421516 /nfs/dbraw/zinc/42/15/16/1129421516.db2.gz MYCHIPKAJWBPHC-HNNXBMFYSA-N 1 1 274.383 3.945 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000740875897 1129421714 /nfs/dbraw/zinc/42/17/14/1129421714.db2.gz KZYBEQZPBFONKA-KSZLIROESA-N 1 1 296.499 3.530 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000740861063 1129422644 /nfs/dbraw/zinc/42/26/44/1129422644.db2.gz UJKNUFABAVTXAE-KGLIPLIRSA-N 1 1 289.419 3.750 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)cc1 ZINC000093509181 1129425589 /nfs/dbraw/zinc/42/55/89/1129425589.db2.gz CINWYWKFXCOTLP-PMPSAXMXSA-N 1 1 286.419 3.988 20 30 CHEDMO CC[N@@H+](CCC(=O)C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000741156781 1129430069 /nfs/dbraw/zinc/43/00/69/1129430069.db2.gz DHFQQDNOMWSQDH-CQSZACIVSA-N 1 1 286.419 3.946 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000829784385 1129431025 /nfs/dbraw/zinc/43/10/25/1129431025.db2.gz IUULTUMUMXTGTK-CYBMUJFWSA-N 1 1 286.400 3.638 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCC(C)(C)C#N ZINC000741753808 1129451379 /nfs/dbraw/zinc/45/13/79/1129451379.db2.gz BXKKIEIKPDGCEA-BFYDXBDKSA-N 1 1 286.419 3.777 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1ccccc1C ZINC000741781348 1129452250 /nfs/dbraw/zinc/45/22/50/1129452250.db2.gz NTSRIBUGMZHXCA-FQEVSTJZSA-N 1 1 295.426 3.759 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000741797246 1129453873 /nfs/dbraw/zinc/45/38/73/1129453873.db2.gz KGNBHPGLKZMIMY-HNNXBMFYSA-N 1 1 292.382 3.536 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000795878552 1129453997 /nfs/dbraw/zinc/45/39/97/1129453997.db2.gz CKGVCMRAYVKDCO-XHDPSFHLSA-N 1 1 262.784 3.809 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000828041023 1131375877 /nfs/dbraw/zinc/37/58/77/1131375877.db2.gz OHDXRRDCUVPRKD-GJZGRUSLSA-N 1 1 263.381 3.524 20 30 CHEDMO CC(C)C#CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000822373000 1131376062 /nfs/dbraw/zinc/37/60/62/1131376062.db2.gz VRFQQDFIDUJVSN-INIZCTEOSA-N 1 1 298.430 3.659 20 30 CHEDMO C#CCC[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000796112959 1129466956 /nfs/dbraw/zinc/46/69/56/1129466956.db2.gz KPYMXWGCKBWWRH-UHFFFAOYSA-N 1 1 281.321 3.941 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000742381804 1129473233 /nfs/dbraw/zinc/47/32/33/1129473233.db2.gz KKEDBCKSZZIYHR-UHFFFAOYSA-N 1 1 280.302 3.733 20 30 CHEDMO C#CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796281037 1129510945 /nfs/dbraw/zinc/51/09/45/1129510945.db2.gz HUPHHAIXMNSZQO-RCCFBDPRSA-N 1 1 253.389 3.668 20 30 CHEDMO Cc1ccc(C[N@@H+](CC#Cc2ccccc2)CC2CC2)cn1 ZINC000646020103 1129518176 /nfs/dbraw/zinc/51/81/76/1129518176.db2.gz IEXWBHXWYXKCCK-UHFFFAOYSA-N 1 1 290.410 3.654 20 30 CHEDMO CC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H](C)C(C)C ZINC000744146826 1129555514 /nfs/dbraw/zinc/55/55/14/1129555514.db2.gz WHQPHAHFGXEOCD-OAHLLOKOSA-N 1 1 296.418 3.746 20 30 CHEDMO C#CC[N@H+](Cc1cc(-c2ccco2)on1)C1CCCCC1 ZINC000744213890 1129560222 /nfs/dbraw/zinc/56/02/22/1129560222.db2.gz RWZZMFLCIYOARH-UHFFFAOYSA-N 1 1 284.359 3.703 20 30 CHEDMO C#CC[N@@H+](Cc1cc(-c2ccco2)on1)C1CCCCC1 ZINC000744213890 1129560224 /nfs/dbraw/zinc/56/02/24/1129560224.db2.gz RWZZMFLCIYOARH-UHFFFAOYSA-N 1 1 284.359 3.703 20 30 CHEDMO C=CCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000828334292 1131383042 /nfs/dbraw/zinc/38/30/42/1131383042.db2.gz RRUJLZNPGODUIV-CABCVRRESA-N 1 1 296.455 3.578 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648375867 1129604388 /nfs/dbraw/zinc/60/43/88/1129604388.db2.gz ZSSOVNQYVWTQNJ-UHFFFAOYSA-N 1 1 264.756 3.879 20 30 CHEDMO CCCCCCC[N@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169139479 1129702147 /nfs/dbraw/zinc/70/21/47/1129702147.db2.gz NMWUJXSUHNNNQD-FVQHAEBGSA-N 1 1 266.473 3.904 20 30 CHEDMO CCCCCCC[N@@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169139479 1129702149 /nfs/dbraw/zinc/70/21/49/1129702149.db2.gz NMWUJXSUHNNNQD-FVQHAEBGSA-N 1 1 266.473 3.904 20 30 CHEDMO CCN(CC)c1ccc(C=[NH+]Nc2ccccc2)cc1 ZINC000254591158 1129702681 /nfs/dbraw/zinc/70/26/81/1129702681.db2.gz JXUJNOLMXZGGRG-UHFFFAOYSA-N 1 1 267.376 3.979 20 30 CHEDMO CCCCCCC[N@@H+](CC)C1CCN(CC)CC1 ZINC001169255011 1129712974 /nfs/dbraw/zinc/71/29/74/1129712974.db2.gz LXAJYIGBVMXPMB-UHFFFAOYSA-N 1 1 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ZINC000768253024 1129847708 /nfs/dbraw/zinc/84/77/08/1129847708.db2.gz VLAIJHUFURMKSQ-INIZCTEOSA-N 1 1 294.398 3.918 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000384200930 1129855698 /nfs/dbraw/zinc/85/56/98/1129855698.db2.gz LOZIMYRBYVRDMS-INIZCTEOSA-N 1 1 288.391 3.841 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OCC)ccc1O ZINC000768552518 1129861997 /nfs/dbraw/zinc/86/19/97/1129861997.db2.gz VWOJOMPNJFRVCH-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO C=CCc1cc(C[N@@H+](CC=C)C(C)C)cc(OC)c1O ZINC000768546474 1129863484 /nfs/dbraw/zinc/86/34/84/1129863484.db2.gz AVWNEGURYOQGQO-UHFFFAOYSA-N 1 1 275.392 3.526 20 30 CHEDMO COc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)c(C#N)c1 ZINC001137698072 1131403036 /nfs/dbraw/zinc/40/30/36/1131403036.db2.gz IMIOCUDZQKXSRC-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)c(C#N)c1 ZINC001137698072 1131403037 /nfs/dbraw/zinc/40/30/37/1131403037.db2.gz IMIOCUDZQKXSRC-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C=C(Cl)C[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466901 1129875310 /nfs/dbraw/zinc/87/53/10/1129875310.db2.gz JLTRFQBKJRCXLP-AWEZNQCLSA-N 1 1 294.826 3.868 20 30 CHEDMO CC[C@]1(C)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000743860775 1129878486 /nfs/dbraw/zinc/87/84/86/1129878486.db2.gz UJGJRSDMKXRQAD-GOSISDBHSA-N 1 1 286.419 3.839 20 30 CHEDMO CCC[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001460901338 1129887109 /nfs/dbraw/zinc/88/71/09/1129887109.db2.gz OLWFIFDGOOQPPA-MRXNPFEDSA-N 1 1 261.796 3.956 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc2[nH]ccc21 ZINC000769146165 1129892074 /nfs/dbraw/zinc/89/20/74/1129892074.db2.gz NUJUIPJOMMFSET-UHFFFAOYSA-N 1 1 292.357 3.942 20 30 CHEDMO C#CC[N@H+](Cc1ccc(COC)cc1)C1CCCCC1 ZINC000769145258 1129892437 /nfs/dbraw/zinc/89/24/37/1129892437.db2.gz GNVWRNFDWMGXSO-UHFFFAOYSA-N 1 1 271.404 3.601 20 30 CHEDMO C#CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000769146383 1129892833 /nfs/dbraw/zinc/89/28/33/1129892833.db2.gz UEFAAHDDVYBNEQ-MRXNPFEDSA-N 1 1 296.414 3.745 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2cccnc2Cl)cc1Cl ZINC000800895955 1129897222 /nfs/dbraw/zinc/89/72/22/1129897222.db2.gz RMQVTUGLLMLIAI-UHFFFAOYSA-N 1 1 292.169 3.550 20 30 CHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446927 1129910547 /nfs/dbraw/zinc/91/05/47/1129910547.db2.gz DRXUMSCLHBPIRI-WBVHZDCISA-N 1 1 285.435 3.657 20 30 CHEDMO C#CC[N@@H+](Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000769529952 1129915695 /nfs/dbraw/zinc/91/56/95/1129915695.db2.gz IOZLSTOHYSAYNK-UHFFFAOYSA-N 1 1 252.361 3.546 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000769544298 1129916518 /nfs/dbraw/zinc/91/65/18/1129916518.db2.gz IOUPHSXOLSXFGQ-INIZCTEOSA-N 1 1 297.446 3.801 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000769544298 1129916519 /nfs/dbraw/zinc/91/65/19/1129916519.db2.gz IOUPHSXOLSXFGQ-INIZCTEOSA-N 1 1 297.446 3.801 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000769962123 1129931519 /nfs/dbraw/zinc/93/15/19/1129931519.db2.gz BIHMUAOYSQOQFP-QGZVFWFLSA-N 1 1 293.410 3.746 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C(C)(C)C)o2)CCCC1(C)C ZINC000769952987 1129931716 /nfs/dbraw/zinc/93/17/16/1129931716.db2.gz HMBFWAZVEOMONG-CYBMUJFWSA-N 1 1 291.439 3.934 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000801913043 1129958079 /nfs/dbraw/zinc/95/80/79/1129958079.db2.gz MZBCWBQYNLOUMZ-DOTOQJQBSA-N 1 1 272.392 3.532 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000801913045 1129958837 /nfs/dbraw/zinc/95/88/37/1129958837.db2.gz MZBCWBQYNLOUMZ-RDJZCZTQSA-N 1 1 272.392 3.532 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000801932088 1129961454 /nfs/dbraw/zinc/96/14/54/1129961454.db2.gz GQGRUYQEWVJFNQ-KBXCAEBGSA-N 1 1 297.402 3.624 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000801932091 1129961570 /nfs/dbraw/zinc/96/15/70/1129961570.db2.gz GQGRUYQEWVJFNQ-RDTXWAMCSA-N 1 1 297.402 3.624 20 30 CHEDMO C[C@H](C#N)OCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000801937982 1129962069 /nfs/dbraw/zinc/96/20/69/1129962069.db2.gz BEMPGCVAASQHBY-SNVBAGLBSA-N 1 1 299.201 3.501 20 30 CHEDMO CC(C)c1[nH+]ccn1Cc1cc(Cl)cc(C#N)c1 ZINC000902311740 1129999500 /nfs/dbraw/zinc/99/95/00/1129999500.db2.gz RJVSPUKVYCLZTO-UHFFFAOYSA-N 1 1 259.740 3.580 20 30 CHEDMO Cc1cc(C#N)cc(C)c1CO[NH+]=C(N)CCC(F)(F)F ZINC000902610453 1130030873 /nfs/dbraw/zinc/03/08/73/1130030873.db2.gz BNHUFLFBKHWMHU-UHFFFAOYSA-N 1 1 299.296 3.516 20 30 CHEDMO N#CC1(CCCCO[NH+]=C(N)C2CCCC2)CCC1 ZINC000902697631 1130040168 /nfs/dbraw/zinc/04/01/68/1130040168.db2.gz FARFTLKQZAAFGH-UHFFFAOYSA-N 1 1 263.385 3.539 20 30 CHEDMO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902758843 1130052649 /nfs/dbraw/zinc/05/26/49/1130052649.db2.gz JOQNRXBGEMUGKH-AWEZNQCLSA-N 1 1 295.386 3.591 20 30 CHEDMO CC[C@@H]([NH2+][C@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902831432 1130065176 /nfs/dbraw/zinc/06/51/76/1130065176.db2.gz YMGMONBQPQZRNB-IAGOWNOFSA-N 1 1 298.386 3.888 20 30 CHEDMO C=CCC[N@H+](C)Cn1c2ccccc2nc1SC(F)F ZINC000786101747 1130078759 /nfs/dbraw/zinc/07/87/59/1130078759.db2.gz PGQBYMDGHNMZPA-UHFFFAOYSA-N 1 1 297.374 3.816 20 30 CHEDMO CC[C@@H](Nc1cc(CCOC)cc[nH+]1)c1cccc(C#N)c1 ZINC000902986485 1130095683 /nfs/dbraw/zinc/09/56/83/1130095683.db2.gz BGZOLTZAJQLXQL-QGZVFWFLSA-N 1 1 295.386 3.705 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCSc3ccccc32)CCC1 ZINC000903032030 1130101941 /nfs/dbraw/zinc/10/19/41/1130101941.db2.gz OQBXWEUGQMGBQQ-ZDUSSCGKSA-N 1 1 258.390 3.507 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCSc3ccccc32)CCC1 ZINC000903032027 1130102252 /nfs/dbraw/zinc/10/22/52/1130102252.db2.gz OQBXWEUGQMGBQQ-CYBMUJFWSA-N 1 1 258.390 3.507 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1F ZINC000903043363 1130103807 /nfs/dbraw/zinc/10/38/07/1130103807.db2.gz XCDNKPYHYNPDAP-BLLLJJGKSA-N 1 1 283.350 3.894 20 30 CHEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786579945 1130107227 /nfs/dbraw/zinc/10/72/27/1130107227.db2.gz WEXVMTNJPPCPLJ-UHFFFAOYSA-N 1 1 296.455 3.532 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C#N)c1 ZINC000903085268 1130109915 /nfs/dbraw/zinc/10/99/15/1130109915.db2.gz RMKFPBZDJDDVCS-GFCCVEGCSA-N 1 1 291.807 3.909 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1nccn1C)c1cccc(Cl)c1 ZINC000903088900 1130110667 /nfs/dbraw/zinc/11/06/67/1130110667.db2.gz MPRBLOJERKXXDW-HNNXBMFYSA-N 1 1 289.810 3.871 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903101360 1130112211 /nfs/dbraw/zinc/11/22/11/1130112211.db2.gz FXNBOUVUSFCQRA-OAHLLOKOSA-N 1 1 287.363 3.502 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903100168 1130112544 /nfs/dbraw/zinc/11/25/44/1130112544.db2.gz IPEJXCVCOMPWBU-JTQLQIEISA-N 1 1 266.772 3.549 20 30 CHEDMO CCC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccccn1 ZINC000903108439 1130114540 /nfs/dbraw/zinc/11/45/40/1130114540.db2.gz CRLAVTPCBMAGSS-AWEZNQCLSA-N 1 1 257.381 3.596 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1 ZINC000903191443 1130126708 /nfs/dbraw/zinc/12/67/08/1130126708.db2.gz WRTHSEQYSKYMIH-CQSZACIVSA-N 1 1 297.427 3.744 20 30 CHEDMO N#CCCc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903224016 1130132470 /nfs/dbraw/zinc/13/24/70/1130132470.db2.gz OTLWJVDJCWJTHI-JLYLLQBASA-N 1 1 295.430 3.712 20 30 CHEDMO N#Cc1ccc2c(c1)[C@@H](Nc1cccc(C3CC3)[nH+]1)CC2 ZINC000903268711 1130141216 /nfs/dbraw/zinc/14/12/16/1130141216.db2.gz NFADIJUKLMBIFO-KRWDZBQOSA-N 1 1 275.355 3.930 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000787311711 1130146872 /nfs/dbraw/zinc/14/68/72/1130146872.db2.gz YHOGKNUJNYPJMZ-LBPRGKRZSA-N 1 1 296.208 3.695 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000787311711 1130146875 /nfs/dbraw/zinc/14/68/75/1130146875.db2.gz YHOGKNUJNYPJMZ-LBPRGKRZSA-N 1 1 296.208 3.695 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000787311710 1130147026 /nfs/dbraw/zinc/14/70/26/1130147026.db2.gz YHOGKNUJNYPJMZ-GFCCVEGCSA-N 1 1 296.208 3.695 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000787311710 1130147028 /nfs/dbraw/zinc/14/70/28/1130147028.db2.gz YHOGKNUJNYPJMZ-GFCCVEGCSA-N 1 1 296.208 3.695 20 30 CHEDMO CC[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903324777 1130155027 /nfs/dbraw/zinc/15/50/27/1130155027.db2.gz RDNGKABJBNICRB-SJORKVTESA-N 1 1 292.386 3.540 20 30 CHEDMO CC[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903325294 1130155107 /nfs/dbraw/zinc/15/51/07/1130155107.db2.gz STMNNPAMDNABHB-IRXDYDNUSA-N 1 1 292.386 3.540 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000788001155 1130167770 /nfs/dbraw/zinc/16/77/70/1130167770.db2.gz ZWIIURMMZNEVBK-UHFFFAOYSA-N 1 1 296.292 3.690 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000788001155 1130167775 /nfs/dbraw/zinc/16/77/75/1130167775.db2.gz ZWIIURMMZNEVBK-UHFFFAOYSA-N 1 1 296.292 3.690 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(Cl)c1)C1CCCCC1 ZINC000748803206 1130249017 /nfs/dbraw/zinc/24/90/17/1130249017.db2.gz STVHKQVZUVEIIB-UHFFFAOYSA-N 1 1 262.784 3.503 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](CC)c2ccccc2)n1 ZINC000789757511 1130273969 /nfs/dbraw/zinc/27/39/69/1130273969.db2.gz ACOFWWYDUQSGJR-QGZVFWFLSA-N 1 1 295.430 3.532 20 30 CHEDMO C=C(C)[C@@H](CO)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000677047901 1130284079 /nfs/dbraw/zinc/28/40/79/1130284079.db2.gz JQPKNDUTJKAYNK-VQTJNVASSA-N 1 1 293.410 3.571 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000677047871 1130284443 /nfs/dbraw/zinc/28/44/43/1130284443.db2.gz IKPXNKJSOYMFDI-SNVBAGLBSA-N 1 1 286.238 3.744 20 30 CHEDMO Cc1cc(C#N)cnc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240385508 1130285012 /nfs/dbraw/zinc/28/50/12/1130285012.db2.gz WEUOPEQICWBVER-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO Cc1nc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC001240386078 1130285510 /nfs/dbraw/zinc/28/55/10/1130285510.db2.gz YRZTVQGYFUQLSF-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO C=CC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000678153810 1130361531 /nfs/dbraw/zinc/36/15/31/1130361531.db2.gz GXSYUTAGKNYLLQ-UHFFFAOYSA-N 1 1 291.398 3.762 20 30 CHEDMO C=CC[N@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000678153810 1130361533 /nfs/dbraw/zinc/36/15/33/1130361533.db2.gz GXSYUTAGKNYLLQ-UHFFFAOYSA-N 1 1 291.398 3.762 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000791569619 1130383187 /nfs/dbraw/zinc/38/31/87/1130383187.db2.gz WMUOVQKCLHTUNK-LJQANCHMSA-N 1 1 299.389 3.937 20 30 CHEDMO CCCCCCCCC[N@H+]1CCn2cc(C)nc2C1 ZINC000792281764 1130441162 /nfs/dbraw/zinc/44/11/62/1130441162.db2.gz ZCZKIKRYQVGPOF-UHFFFAOYSA-N 1 1 263.429 3.758 20 30 CHEDMO CCCCCCCCCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000792297102 1130443958 /nfs/dbraw/zinc/44/39/58/1130443958.db2.gz HTULYDQTLDCLBQ-QGZVFWFLSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCCC[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000792297102 1130443962 /nfs/dbraw/zinc/44/39/62/1130443962.db2.gz HTULYDQTLDCLBQ-QGZVFWFLSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000792297102 1130443965 /nfs/dbraw/zinc/44/39/65/1130443965.db2.gz HTULYDQTLDCLBQ-QGZVFWFLSA-N 1 1 298.515 3.514 20 30 CHEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000678714707 1130446790 /nfs/dbraw/zinc/44/67/90/1130446790.db2.gz KZELZPWJJBQBTD-AWEZNQCLSA-N 1 1 277.408 3.880 20 30 CHEDMO COc1cc(C)[nH+]cc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243422727 1130467051 /nfs/dbraw/zinc/46/70/51/1130467051.db2.gz WVTAMOXEVJNUAQ-UHFFFAOYSA-N 1 1 264.328 3.621 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCC(C)(C)S)nc1 ZINC001170305278 1130478535 /nfs/dbraw/zinc/47/85/35/1130478535.db2.gz VMYSDVPONXJRMX-CYBMUJFWSA-N 1 1 293.480 3.576 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001170398376 1130489527 /nfs/dbraw/zinc/48/95/27/1130489527.db2.gz PKVJRCWSFFEPCE-IZIZEDOESA-N 1 1 280.415 3.875 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001170383665 1130491006 /nfs/dbraw/zinc/49/10/06/1130491006.db2.gz ODLACHYSNFKTKJ-UHFFFAOYSA-N 1 1 280.415 3.876 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000747110763 1130536855 /nfs/dbraw/zinc/53/68/55/1130536855.db2.gz SYKRGKXSBPMLEL-LLVKDONJSA-N 1 1 260.219 3.796 20 30 CHEDMO CC[C@H](CC#N)[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001255172774 1130546197 /nfs/dbraw/zinc/54/61/97/1130546197.db2.gz GFYULKOQZUMVLW-QWHCGFSZSA-N 1 1 262.784 3.822 20 30 CHEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001255172774 1130546201 /nfs/dbraw/zinc/54/62/01/1130546201.db2.gz GFYULKOQZUMVLW-QWHCGFSZSA-N 1 1 262.784 3.822 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000793394290 1130553366 /nfs/dbraw/zinc/55/33/66/1130553366.db2.gz ALRZGZHIXIEKBI-UHFFFAOYSA-N 1 1 297.446 3.801 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393636 1130562694 /nfs/dbraw/zinc/56/26/94/1130562694.db2.gz ZHNVMEDWNYGDNL-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000793526331 1130564827 /nfs/dbraw/zinc/56/48/27/1130564827.db2.gz QPQLMGWVZLHMEY-HOTGVXAUSA-N 1 1 264.457 3.585 20 30 CHEDMO Cc1ccc(C)c(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000758371541 1130608207 /nfs/dbraw/zinc/60/82/07/1130608207.db2.gz LHLJFVXTUXIAHR-UHFFFAOYSA-N 1 1 294.402 3.745 20 30 CHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000758736907 1130623171 /nfs/dbraw/zinc/62/31/71/1130623171.db2.gz KRKXOUZRUMOTEC-UHFFFAOYSA-N 1 1 290.794 3.618 20 30 CHEDMO C#C[C@](C)(CC)Nc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001158741999 1130626161 /nfs/dbraw/zinc/62/61/61/1130626161.db2.gz AEUCHDZXKALYAY-FUHWJXTLSA-N 1 1 285.435 3.842 20 30 CHEDMO CC(C)CN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811647131 1130628988 /nfs/dbraw/zinc/62/89/88/1130628988.db2.gz YIGCSPZUWDLYPE-UHFFFAOYSA-N 1 1 288.222 3.639 20 30 CHEDMO CC(C)(C)C1=CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000759262418 1130647603 /nfs/dbraw/zinc/64/76/03/1130647603.db2.gz DTGOSLHBLMXICN-UHFFFAOYSA-N 1 1 284.403 3.767 20 30 CHEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc2ccccc2cc1C#N ZINC000811848770 1130653755 /nfs/dbraw/zinc/65/37/55/1130653755.db2.gz SGEVKHCBMWISJP-CQSZACIVSA-N 1 1 296.418 3.639 20 30 CHEDMO CC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2C(C)C)C1 ZINC001234856932 1130684179 /nfs/dbraw/zinc/68/41/79/1130684179.db2.gz OHKGWBSETOGNOU-OAHLLOKOSA-N 1 1 272.392 3.545 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001234857744 1130684312 /nfs/dbraw/zinc/68/43/12/1130684312.db2.gz YRUVZMFIINRNRO-MRXNPFEDSA-N 1 1 286.419 3.933 20 30 CHEDMO C=CC[N@H+](Cc1c[nH]c(C(=O)OCC)c1)C1CCCCC1 ZINC001234952899 1130696527 /nfs/dbraw/zinc/69/65/27/1130696527.db2.gz LTNANXSYIVYUBF-UHFFFAOYSA-N 1 1 290.407 3.512 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC000812794015 1130718938 /nfs/dbraw/zinc/71/89/38/1130718938.db2.gz NHBZCCYAHAKNKI-GOSISDBHSA-N 1 1 267.347 3.907 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cc(C(=O)OC)ccn1 ZINC001235201442 1130722271 /nfs/dbraw/zinc/72/22/71/1130722271.db2.gz CQMGIEORNOIGIN-UHFFFAOYSA-N 1 1 292.423 3.661 20 30 CHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849229 1130722291 /nfs/dbraw/zinc/72/22/91/1130722291.db2.gz MMNPLUKYMKQMBC-DNVCBOLYSA-N 1 1 294.398 3.502 20 30 CHEDMO C=CC[N@H+](C)Cc1cc2c(cccc2Br)[nH]1 ZINC001235221448 1130723744 /nfs/dbraw/zinc/72/37/44/1130723744.db2.gz UYURMLXKHAPUFC-UHFFFAOYSA-N 1 1 279.181 3.548 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170693988 1130728038 /nfs/dbraw/zinc/72/80/38/1130728038.db2.gz GNEJBDRVGFWEIR-OAHLLOKOSA-N 1 1 292.373 3.838 20 30 CHEDMO C=CCCCCCCCCCN1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235261091 1130729260 /nfs/dbraw/zinc/72/92/60/1130729260.db2.gz OVPXTOHNIMUPQV-IRXDYDNUSA-N 1 1 264.457 3.587 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(CC)n1 ZINC001235261885 1130730554 /nfs/dbraw/zinc/73/05/54/1130730554.db2.gz VACRRDXNBJINTN-UHFFFAOYSA-N 1 1 266.388 3.832 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(CC)n1 ZINC001235261885 1130730559 /nfs/dbraw/zinc/73/05/59/1130730559.db2.gz VACRRDXNBJINTN-UHFFFAOYSA-N 1 1 266.388 3.832 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001235522321 1130750035 /nfs/dbraw/zinc/75/00/35/1130750035.db2.gz CQPDVGOTISOIBT-GOSISDBHSA-N 1 1 291.398 3.527 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1CC#N ZINC001235524795 1130750576 /nfs/dbraw/zinc/75/05/76/1130750576.db2.gz GUIKQYFCPMUCDK-HNNXBMFYSA-N 1 1 276.383 3.699 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001235512578 1130750901 /nfs/dbraw/zinc/75/09/01/1130750901.db2.gz SGWPWZICFXHHDC-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO N#CCc1ccccc1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001235512578 1130750905 /nfs/dbraw/zinc/75/09/05/1130750905.db2.gz SGWPWZICFXHHDC-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235622363 1130758960 /nfs/dbraw/zinc/75/89/60/1130758960.db2.gz AHXOURSXVJDPSJ-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235627820 1130760454 /nfs/dbraw/zinc/76/04/54/1130760454.db2.gz KACWDGYUIPFGPY-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO CCCCCCCN(CC)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235661979 1130762463 /nfs/dbraw/zinc/76/24/63/1130762463.db2.gz RWONODQXMRUOPI-UHFFFAOYSA-N 1 1 295.496 3.581 20 30 CHEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001235658537 1130763416 /nfs/dbraw/zinc/76/34/16/1130763416.db2.gz OJCKEEYNPRBUOB-GUYCJALGSA-N 1 1 290.357 3.991 20 30 CHEDMO N#Cc1cc(F)c(C[NH+]2C3CCCC2CCC3)c(F)c1 ZINC001235668466 1130764384 /nfs/dbraw/zinc/76/43/84/1130764384.db2.gz YZGKKFFONGVERE-UHFFFAOYSA-N 1 1 276.330 3.743 20 30 CHEDMO C=C(Cl)CN1CCC(CCC[NH+](CC)CC)CC1 ZINC000782536556 1130783315 /nfs/dbraw/zinc/78/33/15/1130783315.db2.gz OYCULUYLWOINCC-UHFFFAOYSA-N 1 1 272.864 3.573 20 30 CHEDMO C=CCCCCCCCC[N@H+]1C[C@@H](N)CC[C@H]1C ZINC001235893652 1130796437 /nfs/dbraw/zinc/79/64/37/1130796437.db2.gz YEPLBGIILYHAPP-CVEARBPZSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](N)CC[C@H]1C ZINC001235893652 1130796441 /nfs/dbraw/zinc/79/64/41/1130796441.db2.gz YEPLBGIILYHAPP-CVEARBPZSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235893652 1130796429 /nfs/dbraw/zinc/79/64/29/1130796429.db2.gz YEPLBGIILYHAPP-CVEARBPZSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCCN1C[C@@H]([NH3+])CC[C@H]1C ZINC001235893652 1130796433 /nfs/dbraw/zinc/79/64/33/1130796433.db2.gz YEPLBGIILYHAPP-CVEARBPZSA-N 1 1 252.446 3.715 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000216751162 1130811153 /nfs/dbraw/zinc/81/11/53/1130811153.db2.gz YOPREXMHJVETDV-LLVKDONJSA-N 1 1 260.219 3.796 20 30 CHEDMO C=CCCCCCCC[N@@H+](CC)[C@@H]1CCCNC1 ZINC001236003636 1130829201 /nfs/dbraw/zinc/82/92/01/1130829201.db2.gz AIUPUBGPERDZAH-MRXNPFEDSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCC[N@H+](CC)[C@@H]1CCCNC1 ZINC001236003636 1130829208 /nfs/dbraw/zinc/82/92/08/1130829208.db2.gz AIUPUBGPERDZAH-MRXNPFEDSA-N 1 1 252.446 3.587 20 30 CHEDMO CC[C@H]1CCC[C@@H](C=[NH+]n2cc(Br)cn2)C1 ZINC000783856372 1130859209 /nfs/dbraw/zinc/85/92/09/1130859209.db2.gz AFRBOGJHUOELRF-WDEREUQCSA-N 1 1 284.201 3.696 20 30 CHEDMO C=CCCCCCCCC[NH+]1[C@H](C)CNC[C@H]1C ZINC001236103625 1130863554 /nfs/dbraw/zinc/86/35/54/1130863554.db2.gz ATXWWBXXGCRZGJ-HZPDHXFCSA-N 1 1 252.446 3.585 20 30 CHEDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(C#N)C2)cc1C(C)C ZINC000784012167 1130868898 /nfs/dbraw/zinc/86/88/98/1130868898.db2.gz GVHULYNZRCGPFK-GOSISDBHSA-N 1 1 286.419 3.950 20 30 CHEDMO C=CCCCCCC[N@@H+](CCC)C1CCNCC1 ZINC001236180149 1130879500 /nfs/dbraw/zinc/87/95/00/1130879500.db2.gz BKMULFZEWZPETC-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCC[N@H+](CCC)C1CCNCC1 ZINC001236180149 1130879503 /nfs/dbraw/zinc/87/95/03/1130879503.db2.gz BKMULFZEWZPETC-UHFFFAOYSA-N 1 1 252.446 3.587 20 30 CHEDMO CCCCCCC[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000784496078 1130906891 /nfs/dbraw/zinc/90/68/91/1130906891.db2.gz PZGHOOBSVQQSQI-UHFFFAOYSA-N 1 1 286.423 3.636 20 30 CHEDMO C[C@@H]1C(=NNC2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000814832481 1130920460 /nfs/dbraw/zinc/92/04/60/1130920460.db2.gz GDNQMJHFTKIKDC-OAHLLOKOSA-N 1 1 285.435 3.559 20 30 CHEDMO C[C@@H]1C(=NNC2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814832481 1130920464 /nfs/dbraw/zinc/92/04/64/1130920464.db2.gz GDNQMJHFTKIKDC-OAHLLOKOSA-N 1 1 285.435 3.559 20 30 CHEDMO C=CCCCCCCCCN1CCC[C@@H]([NH3+])[C@H]1C ZINC001236414184 1130932775 /nfs/dbraw/zinc/93/27/75/1130932775.db2.gz KLKJNDUQTPRTIH-HZPDHXFCSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCC[C@@H](N)[C@H]1C ZINC001236414184 1130932778 /nfs/dbraw/zinc/93/27/78/1130932778.db2.gz KLKJNDUQTPRTIH-HZPDHXFCSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@@H](N)[C@H]1C ZINC001236414184 1130932781 /nfs/dbraw/zinc/93/27/81/1130932781.db2.gz KLKJNDUQTPRTIH-HZPDHXFCSA-N 1 1 252.446 3.715 20 30 CHEDMO CC(=[NH+]Nc1c(C)cccc1C(C)C)c1ccc(N)nc1 ZINC000814934379 1130938516 /nfs/dbraw/zinc/93/85/16/1130938516.db2.gz BLSPQNSQFYESAE-UHFFFAOYSA-N 1 1 282.391 3.932 20 30 CHEDMO CC[C@H](C)CO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000814939160 1130941015 /nfs/dbraw/zinc/94/10/15/1130941015.db2.gz GTGKDGXOMLZNEA-VIFPVBQESA-N 1 1 254.761 3.709 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1N(C)C ZINC000815009986 1130949829 /nfs/dbraw/zinc/94/98/29/1130949829.db2.gz OAVGDJMUBZEREN-UHFFFAOYSA-N 1 1 293.414 3.565 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)C2CCCCC2)n1 ZINC000815102909 1130962009 /nfs/dbraw/zinc/96/20/09/1130962009.db2.gz MKZAYVDYSUJMCJ-INIZCTEOSA-N 1 1 287.451 3.555 20 30 CHEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000797528712 1130991396 /nfs/dbraw/zinc/99/13/96/1130991396.db2.gz VISGMVYDCATLDT-IXDOHACOSA-N 1 1 283.456 3.615 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236773740 1131005209 /nfs/dbraw/zinc/00/52/09/1131005209.db2.gz CYJWXGQRBFGCGH-UHFFFAOYSA-N 1 1 281.783 3.525 20 30 CHEDMO Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC(S)CC1 ZINC001236798148 1131010316 /nfs/dbraw/zinc/01/03/16/1131010316.db2.gz HJBSHRHWLOFMHB-UHFFFAOYSA-N 1 1 292.231 3.593 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236809515 1131012911 /nfs/dbraw/zinc/01/29/11/1131012911.db2.gz WJLMKAGELCOSHP-UHFFFAOYSA-N 1 1 283.799 3.842 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000217655645 1131022524 /nfs/dbraw/zinc/02/25/24/1131022524.db2.gz UYSNYJJDDTUHGI-WMLDXEAASA-N 1 1 254.377 3.713 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC001236863289 1131024537 /nfs/dbraw/zinc/02/45/37/1131024537.db2.gz HEYWJFAXUFUZLO-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO CCc1ccccc1N[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799108859 1131069347 /nfs/dbraw/zinc/06/93/47/1131069347.db2.gz MMMSUINMNJJYCF-UHFFFAOYSA-N 1 1 298.346 3.576 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3nccc(Cl)c3c2)C1 ZINC001237272131 1131074967 /nfs/dbraw/zinc/07/49/67/1131074967.db2.gz HRCPIHPZRMRBLF-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359777 1131083917 /nfs/dbraw/zinc/08/39/17/1131083917.db2.gz CDMSONMOGFCIBB-OAHLLOKOSA-N 1 1 296.455 3.579 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1[nH]nc2cc(OC)ccc21 ZINC001237387444 1131094162 /nfs/dbraw/zinc/09/41/62/1131094162.db2.gz FBLKPLIBVYMJPG-UHFFFAOYSA-N 1 1 289.423 3.974 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237387444 1131094168 /nfs/dbraw/zinc/09/41/68/1131094168.db2.gz FBLKPLIBVYMJPG-UHFFFAOYSA-N 1 1 289.423 3.974 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237387444 1131094173 /nfs/dbraw/zinc/09/41/73/1131094173.db2.gz FBLKPLIBVYMJPG-UHFFFAOYSA-N 1 1 289.423 3.974 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)C1 ZINC001237399076 1131095402 /nfs/dbraw/zinc/09/54/02/1131095402.db2.gz MCUYQEBECCHLIK-OAHLLOKOSA-N 1 1 298.430 3.516 20 30 CHEDMO Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC001237461282 1131101283 /nfs/dbraw/zinc/10/12/83/1131101283.db2.gz ACFFUVHYBJZVCO-IBGZPJMESA-N 1 1 291.398 3.907 20 30 CHEDMO Cn1cc(C[N@H+]2CCCCC23CC3)c2cc(C#N)ccc21 ZINC001237473208 1131102094 /nfs/dbraw/zinc/10/20/94/1131102094.db2.gz HSHZEUGCIGKFOY-UHFFFAOYSA-N 1 1 279.387 3.568 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C[C@H]1C ZINC001237465504 1131102468 /nfs/dbraw/zinc/10/24/68/1131102468.db2.gz JAYKHGLYBUCVMX-HUUCEWRRSA-N 1 1 295.430 3.918 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccnc(C#N)c1 ZINC001237465952 1131102686 /nfs/dbraw/zinc/10/26/86/1131102686.db2.gz PLGKNDJPPBNLKX-UHFFFAOYSA-N 1 1 259.397 3.746 20 30 CHEDMO CC(C)c1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001237463830 1131102949 /nfs/dbraw/zinc/10/29/49/1131102949.db2.gz YDWQJYXJPXNQHC-HNNXBMFYSA-N 1 1 256.393 3.936 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@@](C)(F)CC2)c2cc(C#N)ccc21 ZINC001237467312 1131102965 /nfs/dbraw/zinc/10/29/65/1131102965.db2.gz SYWSUGZBXZMFCJ-GOSISDBHSA-N 1 1 299.393 3.764 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(F)cc1F ZINC001237535897 1131110355 /nfs/dbraw/zinc/11/03/55/1131110355.db2.gz GAOSXDYKRSSWGN-CHWSQXEVSA-N 1 1 290.357 3.849 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)CCC[C@@H]1C ZINC001237524292 1131110581 /nfs/dbraw/zinc/11/05/81/1131110581.db2.gz HFBXBKHDOCURBB-RYUDHWBXSA-N 1 1 278.346 3.704 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(F)cc1F ZINC001237529522 1131110795 /nfs/dbraw/zinc/11/07/95/1131110795.db2.gz GHLGQTRVZWNCNK-BZNIZROVSA-N 1 1 276.330 3.601 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CCCCC1 ZINC001237526235 1131110844 /nfs/dbraw/zinc/11/08/44/1131110844.db2.gz ADARSWPCZSOSDH-UHFFFAOYSA-N 1 1 264.319 3.601 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccn2nccc2c1 ZINC001237540328 1131112044 /nfs/dbraw/zinc/11/20/44/1131112044.db2.gz JCEUOOUZZCVIDH-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1Cl ZINC000816649114 1131120090 /nfs/dbraw/zinc/12/00/90/1131120090.db2.gz UEZTXCGQCLKKEK-NWDGAFQWSA-N 1 1 265.784 3.745 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237668351 1131127187 /nfs/dbraw/zinc/12/71/87/1131127187.db2.gz XGOZGICGEPWRMV-UHFFFAOYSA-N 1 1 271.310 3.697 20 30 CHEDMO Cc1cc(C)c(Cl)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001237695960 1131128446 /nfs/dbraw/zinc/12/84/46/1131128446.db2.gz AFUKAYASGPTXJK-UHFFFAOYSA-N 1 1 262.784 3.692 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1OC(C)C ZINC001237727758 1131134050 /nfs/dbraw/zinc/13/40/50/1131134050.db2.gz OLMWNTQZWHGNSV-MRXNPFEDSA-N 1 1 286.419 3.908 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237756639 1131139879 /nfs/dbraw/zinc/13/98/79/1131139879.db2.gz LYJSOEZPLIKRMJ-GFCCVEGCSA-N 1 1 262.784 3.976 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237756640 1131140025 /nfs/dbraw/zinc/14/00/25/1131140025.db2.gz LYJSOEZPLIKRMJ-LBPRGKRZSA-N 1 1 262.784 3.976 20 30 CHEDMO C=CCN(CC=C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237885579 1131148483 /nfs/dbraw/zinc/14/84/83/1131148483.db2.gz ILJVBIYSERCOQF-UHFFFAOYSA-N 1 1 282.431 3.862 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC001135860204 1131151846 /nfs/dbraw/zinc/15/18/46/1131151846.db2.gz VGRUHVQEKUXZQN-INIZCTEOSA-N 1 1 282.472 3.537 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817282515 1131151929 /nfs/dbraw/zinc/15/19/29/1131151929.db2.gz FTNVZKBUIGSGDO-KRWDZBQOSA-N 1 1 284.403 3.601 20 30 CHEDMO C[N@@H+](CCc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC001116530817 1131153323 /nfs/dbraw/zinc/15/33/23/1131153323.db2.gz YPNTTWQTVGAGKA-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2OCCCC)C1 ZINC001116639233 1131157667 /nfs/dbraw/zinc/15/76/67/1131157667.db2.gz ROSCYBRAIFDJIF-KRWDZBQOSA-N 1 1 289.419 3.642 20 30 CHEDMO CC1(F)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001238080746 1131168026 /nfs/dbraw/zinc/16/80/26/1131168026.db2.gz WHXFGNTWIBDWLV-UHFFFAOYSA-N 1 1 266.747 3.536 20 30 CHEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001238086103 1131169567 /nfs/dbraw/zinc/16/95/67/1131169567.db2.gz UCJOHEPVVKYXFJ-OAHLLOKOSA-N 1 1 292.810 3.601 20 30 CHEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238194628 1131179473 /nfs/dbraw/zinc/17/94/73/1131179473.db2.gz QKDFOVUEAUMIPA-OAHLLOKOSA-N 1 1 292.810 3.603 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1Cl ZINC001238195056 1131179745 /nfs/dbraw/zinc/17/97/45/1131179745.db2.gz ZKUHTZDWYQYFJQ-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO Cc1ncccc1C[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238198248 1131180327 /nfs/dbraw/zinc/18/03/27/1131180327.db2.gz ITMPYYQDTCOLCI-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1ncccc1C[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238198248 1131180330 /nfs/dbraw/zinc/18/03/30/1131180330.db2.gz ITMPYYQDTCOLCI-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO CC(C)Oc1c(F)cccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001238330144 1131191417 /nfs/dbraw/zinc/19/14/17/1131191417.db2.gz VOGIRJWHSSIVSM-UHFFFAOYSA-N 1 1 290.382 3.739 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)c(O)c1F ZINC001238358393 1131192607 /nfs/dbraw/zinc/19/26/07/1131192607.db2.gz GJNHGDKATCMLGT-UHFFFAOYSA-N 1 1 283.387 3.942 20 30 CHEDMO COc1cc(C[N@@H+](C)CCc2cccc(C)c2)ccc1C#N ZINC001238408865 1131195800 /nfs/dbraw/zinc/19/58/00/1131195800.db2.gz DWNDNLNFAFKCJE-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO CC(C)Oc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC001238429909 1131198768 /nfs/dbraw/zinc/19/87/68/1131198768.db2.gz KCDOPEJBILDNOP-UHFFFAOYSA-N 1 1 290.382 3.739 20 30 CHEDMO CCCCCCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000818177735 1131203308 /nfs/dbraw/zinc/20/33/08/1131203308.db2.gz NTOJHAXWTFFWEU-GOSISDBHSA-N 1 1 294.483 3.681 20 30 CHEDMO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001118130812 1131212581 /nfs/dbraw/zinc/21/25/81/1131212581.db2.gz LMGGCFQFXWZSCD-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001118130812 1131212586 /nfs/dbraw/zinc/21/25/86/1131212586.db2.gz LMGGCFQFXWZSCD-SFHVURJKSA-N 1 1 277.371 3.680 20 30 CHEDMO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001238621158 1131224218 /nfs/dbraw/zinc/22/42/18/1131224218.db2.gz KDTDSGUKSWMAER-LJQANCHMSA-N 1 1 291.398 3.793 20 30 CHEDMO Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001238621158 1131224223 /nfs/dbraw/zinc/22/42/23/1131224223.db2.gz KDTDSGUKSWMAER-LJQANCHMSA-N 1 1 291.398 3.793 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)CC1CCC(O)CC1 ZINC001118496586 1131229539 /nfs/dbraw/zinc/22/95/39/1131229539.db2.gz CHNIPQOEHFIPBS-UHFFFAOYSA-N 1 1 273.420 3.616 20 30 CHEDMO C#CC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001137865762 1131426418 /nfs/dbraw/zinc/42/64/18/1131426418.db2.gz GEMYFRGPLAJTHS-UHFFFAOYSA-N 1 1 285.284 3.690 20 30 CHEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+](C)CCF)cc1 ZINC001137903920 1131431991 /nfs/dbraw/zinc/43/19/91/1131431991.db2.gz BBKAHQMYBDLOOS-UHFFFAOYSA-N 1 1 297.377 3.727 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000829779469 1131432931 /nfs/dbraw/zinc/43/29/31/1131432931.db2.gz VSEZHSCMAZDFDQ-AWEZNQCLSA-N 1 1 298.361 3.716 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000823624067 1131434488 /nfs/dbraw/zinc/43/44/88/1131434488.db2.gz PLHXIHSIAMWCPP-ZWNOBZJWSA-N 1 1 283.202 3.745 20 30 CHEDMO C=CC[N@H+](Cc1cc(OC)ccc1F)C(C)(C)C ZINC001137998005 1131449137 /nfs/dbraw/zinc/44/91/37/1131449137.db2.gz OHUXPARATOADQI-UHFFFAOYSA-N 1 1 251.345 3.621 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138092636 1131463302 /nfs/dbraw/zinc/46/33/02/1131463302.db2.gz QQPLYQIPYCJRLM-LLVKDONJSA-N 1 1 285.284 3.690 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001138092636 1131463304 /nfs/dbraw/zinc/46/33/04/1131463304.db2.gz QQPLYQIPYCJRLM-LLVKDONJSA-N 1 1 285.284 3.690 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220404 1131478696 /nfs/dbraw/zinc/47/86/96/1131478696.db2.gz BAVCKTTZXSPDOZ-QGZVFWFLSA-N 1 1 282.431 3.522 20 30 CHEDMO Cc1cc[nH+]c(C)c1N[C@@H]1CCc2c1cccc2C#N ZINC001171062905 1131480030 /nfs/dbraw/zinc/48/00/30/1131480030.db2.gz PNWCZACZDOQYFE-MRXNPFEDSA-N 1 1 263.344 3.670 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2c1cccc2CC ZINC001138362336 1131494750 /nfs/dbraw/zinc/49/47/50/1131494750.db2.gz XUEQODBBWKWIMN-UHFFFAOYSA-N 1 1 269.392 3.856 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2CC 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295.361 3.738 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C#N)c2)cn1 ZINC001139876283 1131643191 /nfs/dbraw/zinc/64/31/91/1131643191.db2.gz PVXGATDDMWFHRM-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(F)cc(C#N)c2)cc1 ZINC001139876170 1131643239 /nfs/dbraw/zinc/64/32/39/1131643239.db2.gz NUYHWOMNZSEQDO-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001139875524 1131643979 /nfs/dbraw/zinc/64/39/79/1131643979.db2.gz SASPTANINARFFT-INIZCTEOSA-N 1 1 298.336 3.826 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(F)cc(C#N)c2)cc1 ZINC001139876171 1131644183 /nfs/dbraw/zinc/64/41/83/1131644183.db2.gz NUYHWOMNZSEQDO-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccnc1C(F)(F)F ZINC001144539249 1131653716 /nfs/dbraw/zinc/65/37/16/1131653716.db2.gz XTGLSPHRVAEYSB-UHFFFAOYSA-N 1 1 272.314 3.889 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cn1 ZINC001139999115 1131656158 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C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110027 1131664645 /nfs/dbraw/zinc/66/46/45/1131664645.db2.gz DLBWIEUGMFAHFP-KRWDZBQOSA-N 1 1 285.366 3.754 20 30 CHEDMO C[N@@H+](CCc1ccccc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140111523 1131665406 /nfs/dbraw/zinc/66/54/06/1131665406.db2.gz LATNVXUBRPCGPQ-UHFFFAOYSA-N 1 1 289.382 3.714 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cnccc21 ZINC001140143271 1131667292 /nfs/dbraw/zinc/66/72/92/1131667292.db2.gz IGNNQXPFTIAXGN-FFGGFLGDSA-N 1 1 277.371 3.501 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171238 1131671516 /nfs/dbraw/zinc/67/15/16/1131671516.db2.gz JHYWBSZNVYPKBN-INIZCTEOSA-N 1 1 276.383 3.594 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@](C)(F)CC1 ZINC001171203089 1131675846 /nfs/dbraw/zinc/67/58/46/1131675846.db2.gz IUIXFZGGTVVDHJ-YOEHRIQHSA-N 1 1 274.383 3.703 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC12CCCCC2 ZINC001171208519 1131683869 /nfs/dbraw/zinc/68/38/69/1131683869.db2.gz CJROEKXXXQNLNJ-OAHLLOKOSA-N 1 1 268.404 3.898 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001171209569 1131685105 /nfs/dbraw/zinc/68/51/05/1131685105.db2.gz KTMAJGVDBLKNHD-IUODEOHRSA-N 1 1 296.336 3.558 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001140321187 1131695918 /nfs/dbraw/zinc/69/59/18/1131695918.db2.gz WVAXQLZVCXKECB-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337237 1131702153 /nfs/dbraw/zinc/70/21/53/1131702153.db2.gz HZEZYJNOOHWTDF-CQSZACIVSA-N 1 1 297.427 3.936 20 30 CHEDMO C=CC[N@@H+](Cc1c(O)cccc1Cl)C(C)(C)C ZINC001140342422 1131703575 /nfs/dbraw/zinc/70/35/75/1131703575.db2.gz IVKSPLAIRPRGER-UHFFFAOYSA-N 1 1 253.773 3.832 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001171224351 1131708254 /nfs/dbraw/zinc/70/82/54/1131708254.db2.gz QRMXPTIDUIIJCA-ILXRZTDVSA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2ccc(F)cc2C1 ZINC001171225046 1131710152 /nfs/dbraw/zinc/71/01/52/1131710152.db2.gz XDRWZCNAPKEPFJ-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC2(CCCCC2)C1 ZINC001171228739 1131711457 /nfs/dbraw/zinc/71/14/57/1131711457.db2.gz ILTLYOTUNDCBED-MRXNPFEDSA-N 1 1 298.430 3.524 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1F ZINC001171229550 1131712186 /nfs/dbraw/zinc/71/21/86/1131712186.db2.gz OUUKGAIYDXKLGK-OAHLLOKOSA-N 1 1 296.389 3.803 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccco1)C1CC1 ZINC001171230519 1131714657 /nfs/dbraw/zinc/71/46/57/1131714657.db2.gz VRBCNORSFNMKMD-CQSZACIVSA-N 1 1 280.371 3.747 20 30 CHEDMO CCCCCCCC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000772948032 1131720069 /nfs/dbraw/zinc/72/00/69/1131720069.db2.gz DHVCHRFBBCZGDN-JKSUJKDBSA-N 1 1 254.462 3.667 20 30 CHEDMO CCc1nc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)co1 ZINC000834897373 1131721548 /nfs/dbraw/zinc/72/15/48/1131721548.db2.gz FXKMZOXWIFWRGN-QGZVFWFLSA-N 1 1 295.386 3.666 20 30 CHEDMO FC(F)(F)c1cccc(N[NH2+]C=C2CC2(F)F)c1 ZINC000834916904 1131733171 /nfs/dbraw/zinc/73/31/71/1131733171.db2.gz QJWXLSZZANYRPE-QMMMGPOBSA-N 1 1 264.197 3.758 20 30 CHEDMO N#CC1CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140433891 1131735170 /nfs/dbraw/zinc/73/51/70/1131735170.db2.gz USYIEOULHHYEHF-UHFFFAOYSA-N 1 1 273.767 3.557 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140436473 1131736648 /nfs/dbraw/zinc/73/66/48/1131736648.db2.gz CMDODXXNZSACBU-LBPRGKRZSA-N 1 1 287.794 3.947 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140454581 1131744995 /nfs/dbraw/zinc/74/49/95/1131744995.db2.gz KHJXAXWZMPNYJN-INIZCTEOSA-N 1 1 283.400 3.546 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140454581 1131744999 /nfs/dbraw/zinc/74/49/99/1131744999.db2.gz KHJXAXWZMPNYJN-INIZCTEOSA-N 1 1 283.400 3.546 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(F)cc(OC)c1 ZINC001140484319 1131760611 /nfs/dbraw/zinc/76/06/11/1131760611.db2.gz MAFCSIRTBPHBGP-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000847031814 1131771677 /nfs/dbraw/zinc/77/16/77/1131771677.db2.gz UVICSNXAGLLMSJ-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000847031814 1131771686 /nfs/dbraw/zinc/77/16/86/1131771686.db2.gz UVICSNXAGLLMSJ-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000847031811 1131771979 /nfs/dbraw/zinc/77/19/79/1131771979.db2.gz UVICSNXAGLLMSJ-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000847031811 1131771983 /nfs/dbraw/zinc/77/19/83/1131771983.db2.gz UVICSNXAGLLMSJ-AWEZNQCLSA-N 1 1 282.412 3.655 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000847023754 1131772440 /nfs/dbraw/zinc/77/24/40/1131772440.db2.gz FMNGPHBROHSVFQ-CHWSQXEVSA-N 1 1 279.330 3.694 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000847022573 1131772621 /nfs/dbraw/zinc/77/26/21/1131772621.db2.gz UVMFSQYPSGJAQR-IYXRBSQSSA-N 1 1 273.342 3.700 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC001140544137 1131786690 /nfs/dbraw/zinc/78/66/90/1131786690.db2.gz ZKDXDSITLKBEPZ-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC001140544137 1131786695 /nfs/dbraw/zinc/78/66/95/1131786695.db2.gz ZKDXDSITLKBEPZ-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832011 1131787222 /nfs/dbraw/zinc/78/72/22/1131787222.db2.gz AFUYHOJNPSVGSQ-SJORKVTESA-N 1 1 279.472 3.559 20 30 CHEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832011 1131787227 /nfs/dbraw/zinc/78/72/27/1131787227.db2.gz AFUYHOJNPSVGSQ-SJORKVTESA-N 1 1 279.472 3.559 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(Cl)c1 ZINC001140546774 1131788531 /nfs/dbraw/zinc/78/85/31/1131788531.db2.gz UUFSMXOJTDYVPJ-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO C=CC[N@H+](Cc1cccc(O)c1Br)C(C)(C)C ZINC001140555559 1131790581 /nfs/dbraw/zinc/79/05/81/1131790581.db2.gz NQWMGSUKCDOZAB-UHFFFAOYSA-N 1 1 298.224 3.941 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(O)c1Br)C(C)(C)C ZINC001140555559 1131790589 /nfs/dbraw/zinc/79/05/89/1131790589.db2.gz NQWMGSUKCDOZAB-UHFFFAOYSA-N 1 1 298.224 3.941 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC001146526523 1131790682 /nfs/dbraw/zinc/79/06/82/1131790682.db2.gz JRCQZPLPLFFRCP-HOTGVXAUSA-N 1 1 282.472 3.536 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC001146526523 1131790683 /nfs/dbraw/zinc/79/06/83/1131790683.db2.gz JRCQZPLPLFFRCP-HOTGVXAUSA-N 1 1 282.472 3.536 20 30 CHEDMO C=CC[C@@H](CCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228091386 1131808539 /nfs/dbraw/zinc/80/85/39/1131808539.db2.gz UWYMAHZCFZKGSR-HNNXBMFYSA-N 1 1 273.376 3.794 20 30 CHEDMO COc1cc2c(cc1O[C@@H](C)CC(C)(C)S)C=[NH+]CC2 ZINC001228092011 1131808719 /nfs/dbraw/zinc/80/87/19/1131808719.db2.gz MXKFHEIIGZXNFL-NSHDSACASA-N 1 1 293.432 3.536 20 30 CHEDMO CCC[N@H+](Cc1cc(C#N)ccc1Cl)CC1CC1 ZINC001140599717 1131818681 /nfs/dbraw/zinc/81/86/81/1131818681.db2.gz NZDMVUTZCSRCQU-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@H]1C ZINC001140601114 1131820254 /nfs/dbraw/zinc/82/02/54/1131820254.db2.gz HGVVSSMLJHFCQA-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140601290 1131820657 /nfs/dbraw/zinc/82/06/57/1131820657.db2.gz LWNWDEUWTUJWSH-LBPRGKRZSA-N 1 1 262.784 3.976 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140601289 1131820696 /nfs/dbraw/zinc/82/06/96/1131820696.db2.gz LWNWDEUWTUJWSH-GFCCVEGCSA-N 1 1 262.784 3.976 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001140600933 1131820902 /nfs/dbraw/zinc/82/09/02/1131820902.db2.gz BBEOZJMPEAUJEE-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO CCC(CC)[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602081 1131822517 /nfs/dbraw/zinc/82/25/17/1131822517.db2.gz CNUVPMLUWDDJNO-UHFFFAOYSA-N 1 1 250.773 3.832 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1Cl)CC(C)(C)C ZINC001140601600 1131822910 /nfs/dbraw/zinc/82/29/10/1131822910.db2.gz UYUXKJMLSSSPND-UHFFFAOYSA-N 1 1 250.773 3.690 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)C2(CC2)C1 ZINC001140604273 1131824627 /nfs/dbraw/zinc/82/46/27/1131824627.db2.gz XYAXHVJXJXGVKY-LLVKDONJSA-N 1 1 260.768 3.586 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C(=O)NC(C)C)cc1)C(C)(C)C ZINC001140616491 1131829890 /nfs/dbraw/zinc/82/98/90/1131829890.db2.gz IPTQBAWFNPVCIB-UHFFFAOYSA-N 1 1 288.435 3.611 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001140639339 1131838662 /nfs/dbraw/zinc/83/86/62/1131838662.db2.gz VRHOMIQPQPTVHX-ZDUSSCGKSA-N 1 1 255.386 3.747 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(CO)o1 ZINC001140682090 1131859447 /nfs/dbraw/zinc/85/94/47/1131859447.db2.gz VBPDONXJKWDNSY-UHFFFAOYSA-N 1 1 253.386 3.564 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348171492 1131897961 /nfs/dbraw/zinc/89/79/61/1131897961.db2.gz UTIZHTQDQYICRC-UHFFFAOYSA-N 1 1 254.377 3.519 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140746453 1131905695 /nfs/dbraw/zinc/90/56/95/1131905695.db2.gz ZXRZRFWHYUGYPK-UHFFFAOYSA-N 1 1 297.398 3.985 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC001140755212 1131908617 /nfs/dbraw/zinc/90/86/17/1131908617.db2.gz VMNIDPGIPFREBG-LRDDRELGSA-N 1 1 276.330 3.601 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000773005650 1131915815 /nfs/dbraw/zinc/91/58/15/1131915815.db2.gz SNQDQNYNFWTNKW-MRVPVSSYSA-N 1 1 279.689 3.830 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000773005119 1131915851 /nfs/dbraw/zinc/91/58/51/1131915851.db2.gz OJEGIQVMHVWOMM-CYBMUJFWSA-N 1 1 251.757 3.551 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1coc2ccccc12 ZINC001140786026 1131917178 /nfs/dbraw/zinc/91/71/78/1131917178.db2.gz VUEQXYNIJCLNCK-UHFFFAOYSA-N 1 1 256.349 3.949 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1coc2ccccc12 ZINC001140786026 1131917186 /nfs/dbraw/zinc/91/71/86/1131917186.db2.gz VUEQXYNIJCLNCK-UHFFFAOYSA-N 1 1 256.349 3.949 20 30 CHEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001171369185 1131917564 /nfs/dbraw/zinc/91/75/64/1131917564.db2.gz LVAXMPAIZXEVIJ-ZDUSSCGKSA-N 1 1 283.375 3.831 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140810133 1131931836 /nfs/dbraw/zinc/93/18/36/1131931836.db2.gz VZMHACREZIYOHM-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1Cl ZINC001140809933 1131932199 /nfs/dbraw/zinc/93/21/99/1131932199.db2.gz NMUKGVLKSRMFAK-NSHDSACASA-N 1 1 288.700 3.596 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1Cl ZINC001140809933 1131932204 /nfs/dbraw/zinc/93/22/04/1131932204.db2.gz NMUKGVLKSRMFAK-NSHDSACASA-N 1 1 288.700 3.596 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140811184 1131932262 /nfs/dbraw/zinc/93/22/62/1131932262.db2.gz MBSVIEWHHSNOPX-LBPRGKRZSA-N 1 1 262.784 3.976 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1Cl ZINC001140809932 1131932545 /nfs/dbraw/zinc/93/25/45/1131932545.db2.gz NMUKGVLKSRMFAK-LLVKDONJSA-N 1 1 288.700 3.596 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1Cl ZINC001140809932 1131932550 /nfs/dbraw/zinc/93/25/50/1131932550.db2.gz NMUKGVLKSRMFAK-LLVKDONJSA-N 1 1 288.700 3.596 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140811399 1131932789 /nfs/dbraw/zinc/93/27/89/1131932789.db2.gz RSXHWULNFOPHBV-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCCC23CC3)c1Cl ZINC001140812780 1131933182 /nfs/dbraw/zinc/93/31/82/1131933182.db2.gz KQAQVEKTDSHASM-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140882566 1131957009 /nfs/dbraw/zinc/95/70/09/1131957009.db2.gz ILPWSEWVCSZNTP-UHFFFAOYSA-N 1 1 265.225 3.601 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001171399552 1131966131 /nfs/dbraw/zinc/96/61/31/1131966131.db2.gz 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C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232594337 1132491493 /nfs/dbraw/zinc/49/14/93/1132491493.db2.gz RDAGNMTUPAMNDW-UHFFFAOYSA-N 1 1 295.810 3.915 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232594337 1132491496 /nfs/dbraw/zinc/49/14/96/1132491496.db2.gz RDAGNMTUPAMNDW-UHFFFAOYSA-N 1 1 295.810 3.915 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2nccn2c1 ZINC001143027946 1132494320 /nfs/dbraw/zinc/49/43/20/1132494320.db2.gz UJIDYZFGUSQREI-UHFFFAOYSA-N 1 1 277.371 3.523 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2nccn2c1 ZINC001143029405 1132495161 /nfs/dbraw/zinc/49/51/61/1132495161.db2.gz YEGVAQFJVKEVDL-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO CC1(C#N)CCC([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001173592207 1132496886 /nfs/dbraw/zinc/49/68/86/1132496886.db2.gz KDZUEDFLQXMGBM-CQLXCSJHSA-N 1 1 292.320 3.539 20 30 CHEDMO CC1(C#N)CCC([N@@H+]2CCCCC(F)(F)C2)CC1 ZINC001173591952 1132497224 /nfs/dbraw/zinc/49/72/24/1132497224.db2.gz ACPAVHVHWVBCLK-UHFFFAOYSA-N 1 1 256.340 3.580 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCCCC(F)(F)C2)CC1 ZINC001173591952 1132497228 /nfs/dbraw/zinc/49/72/28/1132497228.db2.gz ACPAVHVHWVBCLK-UHFFFAOYSA-N 1 1 256.340 3.580 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001173596412 1132498083 /nfs/dbraw/zinc/49/80/83/1132498083.db2.gz VYRUOXOUMXXCHJ-WIHSUSGWSA-N 1 1 269.392 3.691 20 30 CHEDMO CC1(C)C[N@H+](C2CCC(C)(C#N)CC2)CCC1(F)F ZINC001173594189 1132498169 /nfs/dbraw/zinc/49/81/69/1132498169.db2.gz UTSSNEYKILMKCQ-UHFFFAOYSA-N 1 1 270.367 3.826 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001173596476 1132498303 /nfs/dbraw/zinc/49/83/03/1132498303.db2.gz XZYXTAKUHDFPGR-CGZBRXJRSA-N 1 1 269.392 3.691 20 30 CHEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594613 1132498715 /nfs/dbraw/zinc/49/87/15/1132498715.db2.gz CGHGHNJZLFAQQB-CPFNUKBASA-N 1 1 290.451 3.597 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)C1CCC(C)(C#N)CC1 ZINC001173598328 1132499585 /nfs/dbraw/zinc/49/95/85/1132499585.db2.gz PHRYOQXLAZCNKJ-UHFFFAOYSA-N 1 1 285.435 3.809 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001232638507 1132499855 /nfs/dbraw/zinc/49/98/55/1132499855.db2.gz JULLQYLFDVBUQY-OAHLLOKOSA-N 1 1 268.404 3.691 20 30 CHEDMO CC1(C#N)CCC([N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001173599142 1132500007 /nfs/dbraw/zinc/50/00/07/1132500007.db2.gz GGNPEEAIVXDVCO-UHFFFAOYSA-N 1 1 258.340 3.614 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(C)cc(OC)c1 ZINC001143156105 1132508250 /nfs/dbraw/zinc/50/82/50/1132508250.db2.gz DBCOPVWPOBYBJH-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(C)cc(OC)c1 ZINC001143156105 1132508244 /nfs/dbraw/zinc/50/82/44/1132508244.db2.gz DBCOPVWPOBYBJH-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232732494 1132510444 /nfs/dbraw/zinc/51/04/44/1132510444.db2.gz TVSZSUHZUIDERK-LBPRGKRZSA-N 1 1 287.794 3.947 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccnc(C(=O)OC)c1 ZINC001232769747 1132516218 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ZINC001232895719 1132538250 /nfs/dbraw/zinc/53/82/50/1132538250.db2.gz RNEQOMLRTXESGD-UHFFFAOYSA-N 1 1 293.208 3.553 20 30 CHEDMO CC1(C)CC[N@@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232895719 1132538256 /nfs/dbraw/zinc/53/82/56/1132538256.db2.gz RNEQOMLRTXESGD-UHFFFAOYSA-N 1 1 293.208 3.553 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001232901333 1132540340 /nfs/dbraw/zinc/54/03/40/1132540340.db2.gz JIWCGXBYAIUOKH-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO Cc1ccc(C[NH+]2CC3(C2)CCCCC3)c(C#N)c1 ZINC001232967821 1132551717 /nfs/dbraw/zinc/55/17/17/1132551717.db2.gz XOYUICZDHXCMNZ-UHFFFAOYSA-N 1 1 254.377 3.633 20 30 CHEDMO Cc1ccc(C[N@H+]2CCCc3ccccc3C2)c(C#N)c1 ZINC001232966792 1132553800 /nfs/dbraw/zinc/55/38/00/1132553800.db2.gz WCKNWBZMOLSIJM-UHFFFAOYSA-N 1 1 276.383 3.815 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233045961 1132565983 /nfs/dbraw/zinc/56/59/83/1132565983.db2.gz IFXLYRJZAOVICX-KRWDZBQOSA-N 1 1 265.360 3.532 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233045961 1132565989 /nfs/dbraw/zinc/56/59/89/1132565989.db2.gz IFXLYRJZAOVICX-KRWDZBQOSA-N 1 1 265.360 3.532 20 30 CHEDMO CCCCCCCCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001151253743 1132566732 /nfs/dbraw/zinc/56/67/32/1132566732.db2.gz YZXRUBAOAYVXPV-CVEARBPZSA-N 1 1 282.472 3.678 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001233080088 1132570160 /nfs/dbraw/zinc/57/01/60/1132570160.db2.gz DBKYZXXSMDGXOZ-INIZCTEOSA-N 1 1 260.356 3.581 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001233080919 1132570795 /nfs/dbraw/zinc/57/07/95/1132570795.db2.gz GHJRPBQCTSNMIZ-IBGZPJMESA-N 1 1 291.398 3.989 20 30 CHEDMO CN(C)c1ccc(C[N@@H+](C)C2CCCCC2)c(F)c1C#N ZINC001233097542 1132571363 /nfs/dbraw/zinc/57/13/63/1132571363.db2.gz UJQHFXDDOUJSBD-UHFFFAOYSA-N 1 1 289.398 3.528 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCC(=O)c1cccs1 ZINC001233082433 1132571377 /nfs/dbraw/zinc/57/13/77/1132571377.db2.gz LWWHDHRDVLZEOU-UHFFFAOYSA-N 1 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20 30 CHEDMO CC1=C[C@H](C)C[C@@H](C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000290312015 263116174 /nfs/dbraw/zinc/11/61/74/263116174.db2.gz AQOFZZKRHJARCF-MAUKXSAKSA-N 1 1 283.419 3.790 20 30 CHEDMO CC1=C[C@H](C)C[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000290312015 263116175 /nfs/dbraw/zinc/11/61/75/263116175.db2.gz AQOFZZKRHJARCF-MAUKXSAKSA-N 1 1 283.419 3.790 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000293218237 263138843 /nfs/dbraw/zinc/13/88/43/263138843.db2.gz VJWKYXVZNCIANR-OHFALNGGSA-N 1 1 254.377 3.557 20 30 CHEDMO COc1ccc2cc(C[N@@H+](C)[C@H]3CC[C@@H](C#N)C3)ccc2c1 ZINC000293508083 263142521 /nfs/dbraw/zinc/14/25/21/263142521.db2.gz OCSGNQLYMMUIMQ-KDOFPFPSSA-N 1 1 294.398 3.972 20 30 CHEDMO Cc1cccc(C2=CC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000293681970 263146607 /nfs/dbraw/zinc/14/66/07/263146607.db2.gz BBMRVZQDXBYWSG-YJBOKZPZSA-N 1 1 266.388 3.776 20 30 CHEDMO Cc1cccc(C2=CC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000293681966 263146670 /nfs/dbraw/zinc/14/66/70/263146670.db2.gz BBMRVZQDXBYWSG-QAPCUYQASA-N 1 1 266.388 3.776 20 30 CHEDMO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000293904195 263152280 /nfs/dbraw/zinc/15/22/80/263152280.db2.gz WHJMNKHFYZSVHL-WMLDXEAASA-N 1 1 284.403 3.526 20 30 CHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC000293951016 263153183 /nfs/dbraw/zinc/15/31/83/263153183.db2.gz BTDDDMRJEDGFDQ-CWLKWCNXSA-N 1 1 268.404 3.865 20 30 CHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(C2CC2)c1 ZINC000295097995 263172443 /nfs/dbraw/zinc/17/24/43/263172443.db2.gz BLWMJAYTGYOJBQ-ZIAGYGMSSA-N 1 1 267.376 3.658 20 30 CHEDMO Cc1ccccc1CC[N@H+](C)CC(C)(C)CCC#N ZINC000295111471 263172709 /nfs/dbraw/zinc/17/27/09/263172709.db2.gz LSYKLZALFRVUKA-UHFFFAOYSA-N 1 1 258.409 3.799 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCSCC#N ZINC000296532009 263192653 /nfs/dbraw/zinc/19/26/53/263192653.db2.gz AZIFSVYDNHCCFT-HLLBOEOZSA-N 1 1 288.460 3.900 20 30 CHEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC#N ZINC000298904534 263228084 /nfs/dbraw/zinc/22/80/84/263228084.db2.gz MSOSNMWUBKNYDN-JTQLQIEISA-N 1 1 289.379 3.822 20 30 CHEDMO COc1cc([C@@H](C)[NH2+]CCC#N)ccc1OCCC(C)C ZINC000299668940 263251351 /nfs/dbraw/zinc/25/13/51/263251351.db2.gz MCWFYZPSCIXYGI-CQSZACIVSA-N 1 1 290.407 3.684 20 30 CHEDMO COc1ccccc1CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187677901 263265914 /nfs/dbraw/zinc/26/59/14/263265914.db2.gz SJTCIEKZRPDGRX-OAHLLOKOSA-N 1 1 294.398 3.802 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000121329471 263292734 /nfs/dbraw/zinc/29/27/34/263292734.db2.gz SSNQAPNFYNWBMI-CQSZACIVSA-N 1 1 291.416 3.670 20 30 CHEDMO CC[C@@H]1C[C@H](C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000425363108 264135905 /nfs/dbraw/zinc/13/59/05/264135905.db2.gz ASGVYNVJLQGRGW-YXJHDRRASA-N 1 1 286.419 3.756 20 30 CHEDMO COCc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365092 264211140 /nfs/dbraw/zinc/21/11/40/264211140.db2.gz IRYYGBMOLDJVQF-OAHLLOKOSA-N 1 1 294.398 3.898 20 30 CHEDMO Cc1cnc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)s1 ZINC000185001429 264926168 /nfs/dbraw/zinc/92/61/68/264926168.db2.gz QFJFAPSDWIBOGT-LBPRGKRZSA-N 1 1 290.819 3.807 20 30 CHEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000096811108 265385038 /nfs/dbraw/zinc/38/50/38/265385038.db2.gz GFGQNEMQDQFHRS-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCSCC#N ZINC000514662665 266031727 /nfs/dbraw/zinc/03/17/27/266031727.db2.gz KXRAWCDYLIGBAR-ZIAGYGMSSA-N 1 1 268.470 3.780 20 30 CHEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356230117 266077207 /nfs/dbraw/zinc/07/72/07/266077207.db2.gz LDRYJEBZYSZJMU-SNVBAGLBSA-N 1 1 268.282 3.561 20 30 CHEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)ccc1C#N ZINC000356283501 266087625 /nfs/dbraw/zinc/08/76/25/266087625.db2.gz OKTIJRQKZNOHRA-QGZVFWFLSA-N 1 1 266.388 3.631 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356300900 266092068 /nfs/dbraw/zinc/09/20/68/266092068.db2.gz KGVZJGAUAHRUEI-HIFRSBDPSA-N 1 1 297.427 3.783 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356300900 266092071 /nfs/dbraw/zinc/09/20/71/266092071.db2.gz KGVZJGAUAHRUEI-HIFRSBDPSA-N 1 1 297.427 3.783 20 30 CHEDMO C=CCN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccs1 ZINC000356838667 266184707 /nfs/dbraw/zinc/18/47/07/266184707.db2.gz DNYPXHLHTQIKTC-OAHLLOKOSA-N 1 1 278.465 3.611 20 30 CHEDMO C=C(CC)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000358610091 266479428 /nfs/dbraw/zinc/47/94/28/266479428.db2.gz FDMPBVPQWGAFAP-CQSZACIVSA-N 1 1 258.390 3.788 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000361599769 266856404 /nfs/dbraw/zinc/85/64/04/266856404.db2.gz DUBHAXPTHPNWDS-AWEZNQCLSA-N 1 1 262.356 3.944 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000361599769 266856406 /nfs/dbraw/zinc/85/64/06/266856406.db2.gz DUBHAXPTHPNWDS-AWEZNQCLSA-N 1 1 262.356 3.944 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000362383766 266976545 /nfs/dbraw/zinc/97/65/45/266976545.db2.gz BFZBMJNBISBPHK-HUUCEWRRSA-N 1 1 292.423 3.803 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000016340757 267091568 /nfs/dbraw/zinc/09/15/68/267091568.db2.gz PECKUHGYZKCGTG-OAHLLOKOSA-N 1 1 268.385 3.957 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000118395779 267251788 /nfs/dbraw/zinc/25/17/88/267251788.db2.gz SVQGLPGRKNJIGP-BBRMVZONSA-N 1 1 297.427 3.955 20 30 CHEDMO CC[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000370053284 267286929 /nfs/dbraw/zinc/28/69/29/267286929.db2.gz NEQIAMZZGAZREW-HKUYNNGSSA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000370053284 267286930 /nfs/dbraw/zinc/28/69/30/267286930.db2.gz NEQIAMZZGAZREW-HKUYNNGSSA-N 1 1 297.446 3.616 20 30 CHEDMO CCSc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418141595 267363709 /nfs/dbraw/zinc/36/37/09/267363709.db2.gz LIXPQANODKUNDD-UHFFFAOYSA-N 1 1 260.406 3.582 20 30 CHEDMO CC(C)C[N@@H+](Cc1nc(C#N)cs1)CC(C)(C)C ZINC000356134019 527952658 /nfs/dbraw/zinc/95/26/58/527952658.db2.gz YDOKQMBFLUNLAI-UHFFFAOYSA-N 1 1 265.426 3.519 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCCOC1 ZINC000531765410 328031704 /nfs/dbraw/zinc/03/17/04/328031704.db2.gz VXHUOIUBHQSDDM-GFCCVEGCSA-N 1 1 285.840 3.816 20 30 CHEDMO CCCCC[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000048231346 328045061 /nfs/dbraw/zinc/04/50/61/328045061.db2.gz BCPMMBMPUWVJKS-UHFFFAOYSA-N 1 1 274.408 3.838 20 30 CHEDMO COc1cc(C[N@H+](CCC#N)C(C)C)ccc1SC ZINC000534342241 328049897 /nfs/dbraw/zinc/04/98/97/328049897.db2.gz XABXAVBNBSSTLI-UHFFFAOYSA-N 1 1 278.421 3.541 20 30 CHEDMO COc1cc(C[N@@H+](CCC#N)C(C)C)ccc1SC ZINC000534342241 328049899 /nfs/dbraw/zinc/04/98/99/328049899.db2.gz XABXAVBNBSSTLI-UHFFFAOYSA-N 1 1 278.421 3.541 20 30 CHEDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC000563498370 328070604 /nfs/dbraw/zinc/07/06/04/328070604.db2.gz SVAPAUPAVOWYQH-PMPSAXMXSA-N 1 1 260.425 3.971 20 30 CHEDMO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCC#N ZINC000411760637 328099083 /nfs/dbraw/zinc/09/90/83/328099083.db2.gz SSDOLOBJRNOQMY-ZDUSSCGKSA-N 1 1 293.208 3.576 20 30 CHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCSCC#N ZINC000266912270 328170409 /nfs/dbraw/zinc/17/04/09/328170409.db2.gz DPRFMNYGFWPSPC-NVXWUHKLSA-N 1 1 288.460 3.586 20 30 CHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000266949003 328170709 /nfs/dbraw/zinc/17/07/09/328170709.db2.gz SXOKKIOUNHYMRO-WBVHZDCISA-N 1 1 256.393 3.633 20 30 CHEDMO N#CCCCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000272339972 328199886 /nfs/dbraw/zinc/19/98/86/328199886.db2.gz MKJOCBBCLCKCGK-CQSZACIVSA-N 1 1 266.335 3.536 20 30 CHEDMO C[C@@H](C[N@@H+](CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000275785527 328216351 /nfs/dbraw/zinc/21/63/51/328216351.db2.gz YDSHCVYAINNMFK-ZDUSSCGKSA-N 1 1 260.356 3.555 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289251143 328254281 /nfs/dbraw/zinc/25/42/81/328254281.db2.gz CJEQECFMYRPUTP-MRXNPFEDSA-N 1 1 271.408 3.591 20 30 CHEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290565264 328259428 /nfs/dbraw/zinc/25/94/28/328259428.db2.gz SOSIBFQOBLOTTE-OAHLLOKOSA-N 1 1 271.389 3.598 20 30 CHEDMO C[C@H](c1ccccc1Cl)[N@@H+](CCOCCC#N)C1CC1 ZINC000293277080 328274937 /nfs/dbraw/zinc/27/49/37/328274937.db2.gz YHQONTNLLAFXLR-CYBMUJFWSA-N 1 1 292.810 3.796 20 30 CHEDMO C=CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000111259481 328341115 /nfs/dbraw/zinc/34/11/15/328341115.db2.gz NRWAIISGUCQKSK-NSHDSACASA-N 1 1 289.404 3.757 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000532038649 328396932 /nfs/dbraw/zinc/39/69/32/328396932.db2.gz MVYLXVMKUKZSJD-IBGZPJMESA-N 1 1 294.373 3.861 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000191448718 328509629 /nfs/dbraw/zinc/50/96/29/328509629.db2.gz JEXXTQOZPNBJOS-KRWDZBQOSA-N 1 1 298.434 3.830 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000536995411 330375327 /nfs/dbraw/zinc/37/53/27/330375327.db2.gz ITIRMMOWLGXQBE-LBPRGKRZSA-N 1 1 299.256 3.964 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000121265486 330398846 /nfs/dbraw/zinc/39/88/46/330398846.db2.gz GEUVGSGLKNGDCO-LLVKDONJSA-N 1 1 273.829 3.551 20 30 CHEDMO CC[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000317466845 327022813 /nfs/dbraw/zinc/02/28/13/327022813.db2.gz YUNCOZFPDXKSAT-QGZVFWFLSA-N 1 1 299.418 3.541 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833437 327025640 /nfs/dbraw/zinc/02/56/40/327025640.db2.gz VAKJVNWLJHWYJT-CQSZACIVSA-N 1 1 272.392 3.579 20 30 CHEDMO C[N@H+](CCC(C)(C)C#N)Cc1cc(Cl)ccc1F ZINC000558116282 327074795 /nfs/dbraw/zinc/07/47/95/327074795.db2.gz IJVCGXKWFRCJFV-UHFFFAOYSA-N 1 1 268.763 3.851 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(Cl)ccc1F ZINC000558116282 327074797 /nfs/dbraw/zinc/07/47/97/327074797.db2.gz IJVCGXKWFRCJFV-UHFFFAOYSA-N 1 1 268.763 3.851 20 30 CHEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1c1ccccc1 ZINC000559105861 327141511 /nfs/dbraw/zinc/14/15/11/327141511.db2.gz IRHVUKPYDCDGOV-AHCXZYCDSA-N 1 1 268.404 3.804 20 30 CHEDMO C=CCOCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000559242652 327149405 /nfs/dbraw/zinc/14/94/05/327149405.db2.gz AIUFXKYHUJKAEG-WBVHZDCISA-N 1 1 259.393 3.662 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC000559254747 327151032 /nfs/dbraw/zinc/15/10/32/327151032.db2.gz QJRWTTKIYCKADS-PVAVHDDUSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000569468981 327182493 /nfs/dbraw/zinc/18/24/93/327182493.db2.gz KZKDJKAUXCVUIJ-CHWSQXEVSA-N 1 1 295.361 3.600 20 30 CHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000569468981 327182494 /nfs/dbraw/zinc/18/24/94/327182494.db2.gz KZKDJKAUXCVUIJ-CHWSQXEVSA-N 1 1 295.361 3.600 20 30 CHEDMO COc1cc2c(cc1Cl)C[N@H+](CCC(C)(C)C#N)CC2 ZINC000559450026 327245681 /nfs/dbraw/zinc/24/56/81/327245681.db2.gz JEAWZGRYHQYWEK-UHFFFAOYSA-N 1 1 292.810 3.647 20 30 CHEDMO COc1cc2c(cc1Cl)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000559450026 327245682 /nfs/dbraw/zinc/24/56/82/327245682.db2.gz JEAWZGRYHQYWEK-UHFFFAOYSA-N 1 1 292.810 3.647 20 30 CHEDMO C=CCC[C@H](CC)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000560581947 327327595 /nfs/dbraw/zinc/32/75/95/327327595.db2.gz NHBOHJXEKLHKTC-LBPRGKRZSA-N 1 1 284.350 3.516 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000583448781 327372617 /nfs/dbraw/zinc/37/26/17/327372617.db2.gz OTXHXRFQRVHLSL-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378140592 329041243 /nfs/dbraw/zinc/04/12/43/329041243.db2.gz NUWWNLXUARSJNV-KDOFPFPSSA-N 1 1 296.414 3.742 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@H]2CCC[C@H]21 ZINC000393542604 329087346 /nfs/dbraw/zinc/08/73/46/329087346.db2.gz FNNCRSNPACNYDH-ZBFHGGJFSA-N 1 1 272.367 3.708 20 30 CHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000177913134 329189774 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C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459688746 331294631 /nfs/dbraw/zinc/29/46/31/331294631.db2.gz YJMNBMGJWDHHPC-ZWKOTPCHSA-N 1 1 280.371 3.919 20 30 CHEDMO Cc1noc(C)c1CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000165098616 331305789 /nfs/dbraw/zinc/30/57/89/331305789.db2.gz BSMWDRXATHJAAD-UHFFFAOYSA-N 1 1 297.402 3.616 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000463161160 331341277 /nfs/dbraw/zinc/34/12/77/331341277.db2.gz MLGSLGKWSDBHHT-UHFFFAOYSA-N 1 1 295.180 3.598 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000463161160 331341276 /nfs/dbraw/zinc/34/12/76/331341276.db2.gz MLGSLGKWSDBHHT-UHFFFAOYSA-N 1 1 295.180 3.598 20 30 CHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000463190512 331341654 /nfs/dbraw/zinc/34/16/54/331341654.db2.gz DNCUOGSOTXYCFR-YYIAUSFCSA-N 1 1 265.441 3.604 20 30 CHEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478057902 331696917 /nfs/dbraw/zinc/69/69/17/331696917.db2.gz XYIBLQKHKCJCAV-INIZCTEOSA-N 1 1 294.826 3.942 20 30 CHEDMO C=CCCCCC[N@@H+](C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000488467084 332012125 /nfs/dbraw/zinc/01/21/25/332012125.db2.gz QOSQBMLUCWKLLZ-HZPDHXFCSA-N 1 1 252.446 3.537 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000488467084 332012126 /nfs/dbraw/zinc/01/21/26/332012126.db2.gz QOSQBMLUCWKLLZ-HZPDHXFCSA-N 1 1 252.446 3.537 20 30 CHEDMO Cc1cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)ccc1C#N ZINC000488999954 332037039 /nfs/dbraw/zinc/03/70/39/332037039.db2.gz DXLBHOLERYCQNW-CQSZACIVSA-N 1 1 254.377 3.631 20 30 CHEDMO COCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CC[C@H](C)C1 ZINC000489032739 332038386 /nfs/dbraw/zinc/03/83/86/332038386.db2.gz AZVMMCLMZIMJEH-KSSFIOAISA-N 1 1 286.419 3.504 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cccc3[nH]ccc32)ccc1C#N ZINC000489026360 332038478 /nfs/dbraw/zinc/03/84/78/332038478.db2.gz KXTBLPIJQVXNAG-UHFFFAOYSA-N 1 1 289.382 3.980 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000489407945 332050508 /nfs/dbraw/zinc/05/05/08/332050508.db2.gz 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334003675 /nfs/dbraw/zinc/00/36/75/334003675.db2.gz NVJASIYQGRLDOD-UHFFFAOYSA-N 1 1 270.376 3.782 20 30 CHEDMO C=CCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000545924491 334006727 /nfs/dbraw/zinc/00/67/27/334006727.db2.gz SJVBXKJXMPSBLS-UHFFFAOYSA-N 1 1 289.419 3.513 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000076734390 334088155 /nfs/dbraw/zinc/08/81/55/334088155.db2.gz UBZXFPSFEODOMC-NSHDSACASA-N 1 1 298.789 3.704 20 30 CHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000134773838 334103628 /nfs/dbraw/zinc/10/36/28/334103628.db2.gz RZFFZNBZMSIXCT-LBPRGKRZSA-N 1 1 284.334 3.557 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(C#N)c1 ZINC000134955951 334109297 /nfs/dbraw/zinc/10/92/97/334109297.db2.gz VPSZRXLEASTDIP-UHFFFAOYSA-N 1 1 298.411 3.817 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000547766596 334115682 /nfs/dbraw/zinc/11/56/82/334115682.db2.gz VQFRWNMMZXXXCZ-KRWDZBQOSA-N 1 1 259.393 3.589 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(Cl)cc1 ZINC000078594412 334136947 /nfs/dbraw/zinc/13/69/47/334136947.db2.gz UXOVKIISUGZWBK-UHFFFAOYSA-N 1 1 294.826 3.981 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(Cl)cc1 ZINC000078594412 334136948 /nfs/dbraw/zinc/13/69/48/334136948.db2.gz UXOVKIISUGZWBK-UHFFFAOYSA-N 1 1 294.826 3.981 20 30 CHEDMO C=CCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549180477 334187238 /nfs/dbraw/zinc/18/72/38/334187238.db2.gz ODPFJHHBMBEPNI-CQSZACIVSA-N 1 1 253.748 3.787 20 30 CHEDMO C=CCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549180477 334187239 /nfs/dbraw/zinc/18/72/39/334187239.db2.gz ODPFJHHBMBEPNI-CQSZACIVSA-N 1 1 253.748 3.787 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 ZINC000245412638 334190904 /nfs/dbraw/zinc/19/09/04/334190904.db2.gz ATTZRAPHAGZPSE-SCLBCKFNSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 ZINC000245412638 334190906 /nfs/dbraw/zinc/19/09/06/334190906.db2.gz ATTZRAPHAGZPSE-SCLBCKFNSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000245779276 334219195 /nfs/dbraw/zinc/21/91/95/334219195.db2.gz UASXJRFDGXDFIG-BLLLJJGKSA-N 1 1 268.385 3.813 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000245779276 334219196 /nfs/dbraw/zinc/21/91/96/334219196.db2.gz UASXJRFDGXDFIG-BLLLJJGKSA-N 1 1 268.385 3.813 20 30 CHEDMO C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245941055 334224838 /nfs/dbraw/zinc/22/48/38/334224838.db2.gz UZKUSMSEWKCOCV-HZPDHXFCSA-N 1 1 299.462 3.719 20 30 CHEDMO C[C@@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245941055 334224840 /nfs/dbraw/zinc/22/48/40/334224840.db2.gz UZKUSMSEWKCOCV-HZPDHXFCSA-N 1 1 299.462 3.719 20 30 CHEDMO CCC[N@@H+](CCCCCF)Cc1ccc(C#N)cc1 ZINC000551382457 334247461 /nfs/dbraw/zinc/24/74/61/334247461.db2.gz ARCIFHSMORXLJO-UHFFFAOYSA-N 1 1 262.372 3.910 20 30 CHEDMO C[N@H+](Cc1ccc(C2CCC2)cc1)CC(C)(C)C#N ZINC000552085976 334287691 /nfs/dbraw/zinc/28/76/91/334287691.db2.gz TZODRWALPHXYNM-UHFFFAOYSA-N 1 1 256.393 3.936 20 30 CHEDMO C[N@@H+](Cc1ccc(C2CCC2)cc1)CC(C)(C)C#N ZINC000552085976 334287692 /nfs/dbraw/zinc/28/76/92/334287692.db2.gz TZODRWALPHXYNM-UHFFFAOYSA-N 1 1 256.393 3.936 20 30 CHEDMO C=CCC[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000552224214 334305164 /nfs/dbraw/zinc/30/51/64/334305164.db2.gz OBZBRNVVIPIJBG-IKGGRYGDSA-N 1 1 290.451 3.997 20 30 CHEDMO C=CCC[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000552224214 334305165 /nfs/dbraw/zinc/30/51/65/334305165.db2.gz OBZBRNVVIPIJBG-IKGGRYGDSA-N 1 1 290.451 3.997 20 30 CHEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000552316447 334316114 /nfs/dbraw/zinc/31/61/14/334316114.db2.gz AXHGGJXFADJRSC-SJLPKXTDSA-N 1 1 270.420 3.978 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 ZINC000248802370 334317797 /nfs/dbraw/zinc/31/77/97/334317797.db2.gz AHRXFFJKCIJCTJ-DNVCBOLYSA-N 1 1 293.414 3.522 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1C ZINC000552537800 334334333 /nfs/dbraw/zinc/33/43/33/334334333.db2.gz RPTALPMJWPLDGF-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1C ZINC000552537800 334334334 /nfs/dbraw/zinc/33/43/34/334334334.db2.gz RPTALPMJWPLDGF-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO CCc1[nH+]c2ccccc2c(N(C)C[C@H](C)C#N)c1C ZINC000554286875 334420144 /nfs/dbraw/zinc/42/01/44/334420144.db2.gz ODDGTHPYKWRDNQ-GFCCVEGCSA-N 1 1 267.376 3.702 20 30 CHEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000345230936 335307868 /nfs/dbraw/zinc/30/78/68/335307868.db2.gz HMMXPAKEOBXFOZ-UHFFFAOYSA-N 1 1 292.382 3.602 20 30 CHEDMO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)s2)C2CC2)s1 ZINC000176976313 335351058 /nfs/dbraw/zinc/35/10/58/335351058.db2.gz HQIDODAYTSWUCG-CYBMUJFWSA-N 1 1 289.429 3.626 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000577646697 335385438 /nfs/dbraw/zinc/38/54/38/335385438.db2.gz TWKNUHUFFWAUAO-AWEZNQCLSA-N 1 1 277.371 3.679 20 30 CHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1 ZINC000352840277 335746632 /nfs/dbraw/zinc/74/66/32/335746632.db2.gz MYGVIEKCSSURPK-SECBINFHSA-N 1 1 277.780 3.519 20 30 CHEDMO Cc1ccc(COc2ccc(C[NH2+]C[C@H](C)C#N)cc2)cc1 ZINC000183820902 335907535 /nfs/dbraw/zinc/90/75/35/335907535.db2.gz RVMRFFWIEVOXCT-MRXNPFEDSA-N 1 1 294.398 3.823 20 30 CHEDMO CC(C)c1[nH+]ccn1Cc1ccc(Cl)cc1C#N ZINC000185397959 335951206 /nfs/dbraw/zinc/95/12/06/335951206.db2.gz IUHXHXAXNYPZJA-UHFFFAOYSA-N 1 1 259.740 3.580 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000381086517 336049490 /nfs/dbraw/zinc/04/94/90/336049490.db2.gz CEXARNOCQQHPIU-JKSUJKDBSA-N 1 1 254.377 3.569 20 30 CHEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000581529307 336095600 /nfs/dbraw/zinc/09/56/00/336095600.db2.gz GBGNMHFOLQUYFD-MRXNPFEDSA-N 1 1 263.356 3.555 20 30 CHEDMO C=CCCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000581529307 336095602 /nfs/dbraw/zinc/09/56/02/336095602.db2.gz GBGNMHFOLQUYFD-MRXNPFEDSA-N 1 1 263.356 3.555 20 30 CHEDMO C=CCCCCC[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000581635974 336115232 /nfs/dbraw/zinc/11/52/32/336115232.db2.gz BWWVQIFLEASWSZ-HUUCEWRRSA-N 1 1 251.414 3.622 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000384430283 336124618 /nfs/dbraw/zinc/12/46/18/336124618.db2.gz QKSGDEZEIOWHDI-UHFFFAOYSA-N 1 1 292.382 3.731 20 30 CHEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000386618149 336176874 /nfs/dbraw/zinc/17/68/74/336176874.db2.gz DNQCPECACJOPPF-NSHDSACASA-N 1 1 299.340 3.718 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)CC12CCC2 ZINC000354899693 534038126 /nfs/dbraw/zinc/03/81/26/534038126.db2.gz PGSONRNDSFFRKZ-GFCCVEGCSA-N 1 1 260.406 3.632 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(F)(F)F ZINC000355887208 534047966 /nfs/dbraw/zinc/04/79/66/534047966.db2.gz DPDIOEVAMSEVMQ-JTQLQIEISA-N 1 1 256.271 3.503 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000113924978 534162312 /nfs/dbraw/zinc/16/23/12/534162312.db2.gz PBMHEQABRKHGTQ-AEFFLSMTSA-N 1 1 297.446 3.649 20 30 CHEDMO CC(C)[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1F ZINC000340946964 519659604 /nfs/dbraw/zinc/65/96/04/519659604.db2.gz HXEGCVWRRHIGAX-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CC(C)[N@H+](Cc1cccnc1)Cc1cccc(C#N)c1F ZINC000340946964 519659603 /nfs/dbraw/zinc/65/96/03/519659603.db2.gz HXEGCVWRRHIGAX-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO CC(C)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000236775904 519675914 /nfs/dbraw/zinc/67/59/14/519675914.db2.gz IVCWVCHYQIWGII-UHFFFAOYSA-N 1 1 298.386 3.866 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000354525678 534615482 /nfs/dbraw/zinc/61/54/82/534615482.db2.gz KNDWEDUFCMHUBF-SFHVURJKSA-N 1 1 298.430 3.991 20 30 CHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000359280355 524377399 /nfs/dbraw/zinc/37/73/99/524377399.db2.gz CDABVRDLJHOARV-WMLDXEAASA-N 1 1 254.377 3.570 20 30 CHEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OC(C)(C)C)c1 ZINC000084958770 524583947 /nfs/dbraw/zinc/58/39/47/524583947.db2.gz BUAUYHSHXFOOMX-UHFFFAOYSA-N 1 1 298.386 3.927 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000275752489 526068056 /nfs/dbraw/zinc/06/80/56/526068056.db2.gz WWLBAIGYPYOJAH-HNNXBMFYSA-N 1 1 284.403 3.512 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000275752490 526072768 /nfs/dbraw/zinc/07/27/68/526072768.db2.gz WWLBAIGYPYOJAH-OAHLLOKOSA-N 1 1 284.403 3.512 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042227080 526145994 /nfs/dbraw/zinc/14/59/94/526145994.db2.gz LHVMLXAAKPGSGV-LBPRGKRZSA-N 1 1 256.374 3.813 20 30 CHEDMO C=CC[N@@H+](CC[C@@H]1CCCCO1)Cc1cccs1 ZINC000347389379 526307122 /nfs/dbraw/zinc/30/71/22/526307122.db2.gz DXLJGMFLMKXMQL-AWEZNQCLSA-N 1 1 265.422 3.695 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1sc(C)nc1C ZINC000352756133 526315092 /nfs/dbraw/zinc/31/50/92/526315092.db2.gz BISPXSFPGPOXOA-UHFFFAOYSA-N 1 1 286.444 3.991 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)ccc1C#N ZINC000352719191 526327110 /nfs/dbraw/zinc/32/71/10/526327110.db2.gz FHPJDKLALUHPCC-UHFFFAOYSA-N 1 1 284.334 3.521 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)ccc1C#N ZINC000352719191 526327112 /nfs/dbraw/zinc/32/71/12/526327112.db2.gz FHPJDKLALUHPCC-UHFFFAOYSA-N 1 1 284.334 3.521 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCO[C@H](C)C1 ZINC000352741117 526377224 /nfs/dbraw/zinc/37/72/24/526377224.db2.gz WEAGCJJFFIDHBW-KGLIPLIRSA-N 1 1 265.422 3.551 20 30 CHEDMO Cc1noc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000299409275 526501249 /nfs/dbraw/zinc/50/12/49/526501249.db2.gz ZALRAUGRBYFQBE-UHFFFAOYSA-N 1 1 283.375 3.574 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000353173003 526505018 /nfs/dbraw/zinc/50/50/18/526505018.db2.gz LWKDAGROVOTNLA-UHFFFAOYSA-N 1 1 258.390 3.818 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000353173003 526505022 /nfs/dbraw/zinc/50/50/22/526505022.db2.gz LWKDAGROVOTNLA-UHFFFAOYSA-N 1 1 258.390 3.818 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)s1 ZINC000131438672 526613865 /nfs/dbraw/zinc/61/38/65/526613865.db2.gz MEEPMVSBSKOMSD-HNNXBMFYSA-N 1 1 297.427 3.696 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)o1 ZINC000266202107 526623609 /nfs/dbraw/zinc/62/36/09/526623609.db2.gz LPUDDMNEFLBQRW-UHFFFAOYSA-N 1 1 296.370 3.762 20 30 CHEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nc(C)cs1 ZINC000347957936 526751978 /nfs/dbraw/zinc/75/19/78/526751978.db2.gz AYPZAEFZNCBXHO-AWEZNQCLSA-N 1 1 280.437 3.571 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CC)cc1OC ZINC000352653620 526867387 /nfs/dbraw/zinc/86/73/87/526867387.db2.gz YHBHBUAMBBFKJR-OAHLLOKOSA-N 1 1 275.392 3.634 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC)cc1OC ZINC000352653619 526868473 /nfs/dbraw/zinc/86/84/73/526868473.db2.gz YHBHBUAMBBFKJR-HNNXBMFYSA-N 1 1 275.392 3.634 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000351960395 526902471 /nfs/dbraw/zinc/90/24/71/526902471.db2.gz UGGREVQMUMELTR-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000351960395 526902477 /nfs/dbraw/zinc/90/24/77/526902477.db2.gz UGGREVQMUMELTR-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000353711802 527192787 /nfs/dbraw/zinc/19/27/87/527192787.db2.gz NOLHEMLDBHUTFX-UHFFFAOYSA-N 1 1 289.810 3.924 20 30 CHEDMO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1C#N ZINC000290235551 527195887 /nfs/dbraw/zinc/19/58/87/527195887.db2.gz UCPBYWRMPOVNQU-HNNXBMFYSA-N 1 1 285.416 3.541 20 30 CHEDMO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1C#N ZINC000290235551 527195891 /nfs/dbraw/zinc/19/58/91/527195891.db2.gz UCPBYWRMPOVNQU-HNNXBMFYSA-N 1 1 285.416 3.541 20 30 CHEDMO C=CCCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000344471626 527229295 /nfs/dbraw/zinc/22/92/95/527229295.db2.gz YGRYRIZEWLGJHP-UHFFFAOYSA-N 1 1 288.435 3.613 20 30 CHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C)CC2)cc(OC)c1O ZINC000352808836 527236189 /nfs/dbraw/zinc/23/61/89/527236189.db2.gz ZTIJXJAEBZDMTH-CQSZACIVSA-N 1 1 289.419 3.751 20 30 CHEDMO C=CCC[C@@H]([NH2+]C[C@H](C)N(CC)CC)c1ccco1 ZINC000353586420 527450240 /nfs/dbraw/zinc/45/02/40/527450240.db2.gz ANYPUBDXEPWXOU-LSDHHAIUSA-N 1 1 264.413 3.607 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000350658058 527949315 /nfs/dbraw/zinc/94/93/15/527949315.db2.gz KLUORESQMQMDIS-UHFFFAOYSA-N 1 1 281.403 3.555 20 30 CHEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000353481925 527990771 /nfs/dbraw/zinc/99/07/71/527990771.db2.gz LDWHVRWTRMSEOE-QAPCUYQASA-N 1 1 287.451 3.719 20 30 CHEDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353481925 527990775 /nfs/dbraw/zinc/99/07/75/527990775.db2.gz LDWHVRWTRMSEOE-QAPCUYQASA-N 1 1 287.451 3.719 20 30 CHEDMO CC(C)c1nnc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000330293328 528453866 /nfs/dbraw/zinc/45/38/66/528453866.db2.gz HRVAFDGAGUWXGI-NSHDSACASA-N 1 1 296.440 3.514 20 30 CHEDMO CCOc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000353420938 528644331 /nfs/dbraw/zinc/64/43/31/528644331.db2.gz WRWSIRAJBULSHY-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CCOc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000353420938 528644335 /nfs/dbraw/zinc/64/43/35/528644335.db2.gz WRWSIRAJBULSHY-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191872076 528829154 /nfs/dbraw/zinc/82/91/54/528829154.db2.gz BYIXGWJMIZAKHU-UHFFFAOYSA-N 1 1 268.335 3.719 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356097148 528939654 /nfs/dbraw/zinc/93/96/54/528939654.db2.gz ZQVYOCZTKHJJPP-UHFFFAOYSA-N 1 1 282.309 3.950 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735408219 598865825 /nfs/dbraw/zinc/86/58/25/598865825.db2.gz IBFZDAHVZINRQS-CQSZACIVSA-N 1 1 299.422 3.606 20 30 CHEDMO C=CCCc1ccccc1NC(=O)CCCn1cc[nH+]c1C ZINC000800152341 1125474259 /nfs/dbraw/zinc/47/42/59/1125474259.db2.gz UWTYHFYXLSDJRL-UHFFFAOYSA-N 1 1 297.402 3.729 20 30 CHEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000430269686 1117964281 /nfs/dbraw/zinc/96/42/81/1117964281.db2.gz PDXRYAUADPHTFI-LLVKDONJSA-N 1 1 260.768 3.610 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000903106053 1120069443 /nfs/dbraw/zinc/06/94/43/1120069443.db2.gz LUAOZVXJYRQCLO-CQSZACIVSA-N 1 1 260.768 3.611 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511625089 1120443134 /nfs/dbraw/zinc/44/31/34/1120443134.db2.gz QHSLCEOWCYPDSU-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000162880789 1120695845 /nfs/dbraw/zinc/69/58/45/1120695845.db2.gz PAIRAASXCLVSQU-UHFFFAOYSA-N 1 1 262.784 3.976 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](C)CC(C)C ZINC000512195422 1121188771 /nfs/dbraw/zinc/18/87/71/1121188771.db2.gz NHMZLLRBBJNRNN-HNNXBMFYSA-N 1 1 279.424 3.832 20 30 CHEDMO CCC(C)(C)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509870188 1121660487 /nfs/dbraw/zinc/66/04/87/1121660487.db2.gz ZBUDDWAIMKNIDU-AWEZNQCLSA-N 1 1 258.409 3.966 20 30 CHEDMO CCC(C)(C)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509870188 1121660492 /nfs/dbraw/zinc/66/04/92/1121660492.db2.gz ZBUDDWAIMKNIDU-AWEZNQCLSA-N 1 1 258.409 3.966 20 30 CHEDMO C=C(Cl)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399926 1121865471 /nfs/dbraw/zinc/86/54/71/1121865471.db2.gz QFMDKKKKVHOJPL-ZDUSSCGKSA-N 1 1 267.800 3.701 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1cc(F)ccc1OC ZINC001184189273 1122258068 /nfs/dbraw/zinc/25/80/68/1122258068.db2.gz SUKQFCNRVJNKOA-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO CCC[N@@H+](Cc1ccc(F)cc1F)CC1(CC#N)CC1 ZINC001190604935 1122547675 /nfs/dbraw/zinc/54/76/75/1122547675.db2.gz IVYOAFGKRNTTHW-UHFFFAOYSA-N 1 1 278.346 3.871 20 30 CHEDMO CO[C@@H](CC(C)C)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425543448 1122548322 /nfs/dbraw/zinc/54/83/22/1122548322.db2.gz ZMKPIHOSWQJXOJ-PBHICJAKSA-N 1 1 274.408 3.612 20 30 CHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001195394234 1122869146 /nfs/dbraw/zinc/86/91/46/1122869146.db2.gz XFKKWIGUBFYIJT-OAHLLOKOSA-N 1 1 281.440 3.929 20 30 CHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001196174991 1122910210 /nfs/dbraw/zinc/91/02/10/1122910210.db2.gz DHLYHGPCVMMXOB-HUUCEWRRSA-N 1 1 256.393 3.611 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@](C)(CF)C1 ZINC001252124299 1123224758 /nfs/dbraw/zinc/22/47/58/1123224758.db2.gz QNTVOIOQRXTPRX-JKSUJKDBSA-N 1 1 273.436 3.779 20 30 CHEDMO CC1CCC([N@@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000448453391 1124583032 /nfs/dbraw/zinc/58/30/32/1124583032.db2.gz XZXAAZXDLPPQSE-UHFFFAOYSA-N 1 1 259.368 3.688 20 30 CHEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1CC(C)(C)CCC#N ZINC000449559879 1124801372 /nfs/dbraw/zinc/80/13/72/1124801372.db2.gz ZOYRDWHKPBNNNM-HUUCEWRRSA-N 1 1 250.430 3.929 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477530 1125215265 /nfs/dbraw/zinc/21/52/65/1125215265.db2.gz AMYRQFKZMVZDBK-MRXNPFEDSA-N 1 1 260.356 3.641 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880100717 1125250765 /nfs/dbraw/zinc/25/07/65/1125250765.db2.gz OTIAGFTXGSSAGH-QMMMGPOBSA-N 1 1 264.678 3.504 20 30 CHEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCOC ZINC001253239767 1125417063 /nfs/dbraw/zinc/41/70/63/1125417063.db2.gz SAPMFTLWTLTNFD-MSOLQXFVSA-N 1 1 297.483 3.765 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(F)cccc1OC ZINC001138387162 1131496726 /nfs/dbraw/zinc/49/67/26/1131496726.db2.gz ZXENPAOOWJXNIK-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO CCCCc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC001138755854 1131546912 /nfs/dbraw/zinc/54/69/12/1131546912.db2.gz VFIWNUKINWSZHV-OAHLLOKOSA-N 1 1 262.422 3.826 20 30 CHEDMO CCCCc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC001138755854 1131546914 /nfs/dbraw/zinc/54/69/14/1131546914.db2.gz VFIWNUKINWSZHV-OAHLLOKOSA-N 1 1 262.422 3.826 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139690538 1131629116 /nfs/dbraw/zinc/62/91/16/1131629116.db2.gz CRXDJIRRGCTWEP-GFCCVEGCSA-N 1 1 262.784 3.976 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139691972 1131630522 /nfs/dbraw/zinc/63/05/22/1131630522.db2.gz LSCZKAALZDEMKE-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139691972 1131630525 /nfs/dbraw/zinc/63/05/25/1131630525.db2.gz LSCZKAALZDEMKE-RYUDHWBXSA-N 1 1 262.784 3.832 20 30 CHEDMO CCCCCCC[C@@H](CCC)N1CC2(C1)CC[NH2+]C2 ZINC001246612224 1131717473 /nfs/dbraw/zinc/71/74/73/1131717473.db2.gz HUUUAUUJYCLALF-MRXNPFEDSA-N 1 1 266.473 3.811 20 30 CHEDMO C=CC[C@H](CCC)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228937268 1131982383 /nfs/dbraw/zinc/98/23/83/1131982383.db2.gz XQYRTLCMEOQDKM-MRXNPFEDSA-N 1 1 259.393 3.798 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2nn(C)cc2C1 ZINC001172356123 1132185479 /nfs/dbraw/zinc/18/54/79/1132185479.db2.gz ULEZYBBTYNKXRI-INIZCTEOSA-N 1 1 277.456 3.917 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001172362343 1132189538 /nfs/dbraw/zinc/18/95/38/1132189538.db2.gz WFIVOAKMAHWMRN-SJORKVTESA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC001231618240 1132326210 /nfs/dbraw/zinc/32/62/10/1132326210.db2.gz BYQREKUYKLJCLU-UHFFFAOYSA-N 1 1 274.408 3.969 20 30 CHEDMO C=CC[C@@](C)([NH2+][C@@H](CCCC)CC(C)C)C(=O)OC ZINC001173258283 1132426135 /nfs/dbraw/zinc/42/61/35/1132426135.db2.gz QHDJPGJOCDJDNP-GOEBONIOSA-N 1 1 269.429 3.689 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(C)s2)C1 ZINC001232293507 1132450215 /nfs/dbraw/zinc/45/02/15/1132450215.db2.gz KKVPKIYMBZIMGR-LLVKDONJSA-N 1 1 298.249 3.664 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)c(C)s2)C1 ZINC001232293507 1132450221 /nfs/dbraw/zinc/45/02/21/1132450221.db2.gz KKVPKIYMBZIMGR-LLVKDONJSA-N 1 1 298.249 3.664 20 30 CHEDMO Cc1cccc(CC[N@H+](C)Cc2ccc(C#N)s2)c1 ZINC001232845925 1132528062 /nfs/dbraw/zinc/52/80/62/1132528062.db2.gz XYQIGPQYMPOBMD-UHFFFAOYSA-N 1 1 270.401 3.603 20 30 CHEDMO CSc1cccc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC001233350636 1132608563 /nfs/dbraw/zinc/60/85/63/1132608563.db2.gz NPCOAHWAHPOZHL-UHFFFAOYSA-N 1 1 280.824 3.797 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001209443157 1134021477 /nfs/dbraw/zinc/02/14/77/1134021477.db2.gz NDBVWNNLTPYUFT-UHFFFAOYSA-N 1 1 296.455 3.677 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCC[C@]12CCOC2 ZINC001209441332 1134022759 /nfs/dbraw/zinc/02/27/59/1134022759.db2.gz HWFWDGSPGLBJEP-MRXNPFEDSA-N 1 1 251.414 3.768 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001209443013 1134022880 /nfs/dbraw/zinc/02/28/80/1134022880.db2.gz KHTJMGBWIRHBEL-MRXNPFEDSA-N 1 1 281.440 3.788 20 30 CHEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCCCC#N)cc1 ZINC000057626556 1125540253 /nfs/dbraw/zinc/54/02/53/1125540253.db2.gz ZOKXPGVDQYVFFA-QGZVFWFLSA-N 1 1 272.392 3.916 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000119983814 1125540892 /nfs/dbraw/zinc/54/08/92/1125540892.db2.gz HNEMRKIVYHJBHE-INIZCTEOSA-N 1 1 271.408 3.503 20 30 CHEDMO C[C@H]1CC[N@@H+](CCCSCC#N)[C@H]1c1cccc(F)c1 ZINC000245407476 1125571497 /nfs/dbraw/zinc/57/14/97/1125571497.db2.gz BFTAASLRGNTWIB-XJKSGUPXSA-N 1 1 292.423 3.855 20 30 CHEDMO C=C(C)CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000509670545 1125574296 /nfs/dbraw/zinc/57/42/96/1125574296.db2.gz KNPOWSWTDPIQEB-UHFFFAOYSA-N 1 1 273.420 3.881 20 30 CHEDMO C=C(C)CC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000509679424 1125574467 /nfs/dbraw/zinc/57/44/67/1125574467.db2.gz HSWBVLFARCPUGV-DOTOQJQBSA-N 1 1 259.393 3.723 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000245698321 1125589389 /nfs/dbraw/zinc/58/93/89/1125589389.db2.gz BGUZVDDCLSQUPY-CABCVRRESA-N 1 1 272.392 3.599 20 30 CHEDMO N#CCSCCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000074981926 1125643837 /nfs/dbraw/zinc/64/38/37/1125643837.db2.gz AZJBMXYYNVOYNU-QGZVFWFLSA-N 1 1 288.460 3.730 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886251457 1125663905 /nfs/dbraw/zinc/66/39/05/1125663905.db2.gz CTOUJWKXJUQKFF-JEBQAFNWSA-N 1 1 284.403 3.509 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000076736971 1125684398 /nfs/dbraw/zinc/68/43/98/1125684398.db2.gz KHRLMOXOCYOXIB-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F ZINC000886603445 1125697049 /nfs/dbraw/zinc/69/70/49/1125697049.db2.gz ODTHCDRNOJDCDD-BZNIZROVSA-N 1 1 296.345 3.741 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1C ZINC000191991008 1125724854 /nfs/dbraw/zinc/72/48/54/1125724854.db2.gz ROHSOKMRFICWNF-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)CC(OC)OC ZINC000714579146 1125728729 /nfs/dbraw/zinc/72/87/29/1125728729.db2.gz FZZWLFVYEKMLPX-UHFFFAOYSA-N 1 1 259.434 3.678 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192112708 1125755127 /nfs/dbraw/zinc/75/51/27/1125755127.db2.gz YZODQWCMDLLBJY-LBPRGKRZSA-N 1 1 280.412 3.661 20 30 CHEDMO CC(C)(CCC#N)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000092437443 1125757078 /nfs/dbraw/zinc/75/70/78/1125757078.db2.gz NNQHJCBODJTXDF-INIZCTEOSA-N 1 1 290.407 3.591 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)o2)C(C)C)s1 ZINC000092485270 1125759624 /nfs/dbraw/zinc/75/96/24/1125759624.db2.gz QBLTYQFBSYLIKG-UHFFFAOYSA-N 1 1 274.389 3.932 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001118576840 1131231851 /nfs/dbraw/zinc/23/18/51/1131231851.db2.gz CJQSRYYHPHTXIB-ZDUSSCGKSA-N 1 1 270.401 3.532 20 30 CHEDMO C=C(C)C[N@@H+](CCC[C@@H]1CCO1)Cc1ccccc1 ZINC000639121442 1129283646 /nfs/dbraw/zinc/28/36/46/1129283646.db2.gz OZXDABOMQSVBOC-QGZVFWFLSA-N 1 1 259.393 3.634 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000739930194 1129409880 /nfs/dbraw/zinc/40/98/80/1129409880.db2.gz JWBYVFARXQKBKX-MRXNPFEDSA-N 1 1 265.372 3.537 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000740877220 1129423108 /nfs/dbraw/zinc/42/31/08/1129423108.db2.gz HBPUPMZSJORNEJ-INIZCTEOSA-N 1 1 296.499 3.831 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238711713 1131235355 /nfs/dbraw/zinc/23/53/55/1131235355.db2.gz RRMMAFVSOGOXOI-UHFFFAOYSA-N 1 1 276.399 3.824 20 30 CHEDMO C#CCCC[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000766896184 1129769281 /nfs/dbraw/zinc/76/92/81/1129769281.db2.gz QQFLWMDJXWYQQK-OAHLLOKOSA-N 1 1 259.393 3.882 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)cc(Br)c1 ZINC000393746778 1129845776 /nfs/dbraw/zinc/84/57/76/1129845776.db2.gz NEUJXEXERIPUPM-ZDUSSCGKSA-N 1 1 281.197 3.539 20 30 CHEDMO CC[N@H+]1CCC(N=Nc2c(F)cccc2Cl)[C@H](C)C1 ZINC000769827377 1129927735 /nfs/dbraw/zinc/92/77/35/1129927735.db2.gz VNCJYFGGJGFXQG-SNVBAGLBSA-N 1 1 283.778 3.609 20 30 CHEDMO COc1c(C)cc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903106864 1130113331 /nfs/dbraw/zinc/11/33/31/1130113331.db2.gz XCGFPUSELGLJAD-LLVKDONJSA-N 1 1 278.783 3.611 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000162889949 1126711566 /nfs/dbraw/zinc/71/15/66/1126711566.db2.gz HFTJZVHHVDDYOO-UHFFFAOYSA-N 1 1 262.784 3.832 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000600616505 1126722901 /nfs/dbraw/zinc/72/29/01/1126722901.db2.gz XXWKURKLPYPNDN-BLLLJJGKSA-N 1 1 287.794 3.751 20 30 CHEDMO C=CC[N@H+](CCSC(C)C)Cc1cccc(C#N)c1 ZINC000338233262 1126725859 /nfs/dbraw/zinc/72/58/59/1126725859.db2.gz KNYMASIXHUDTMG-UHFFFAOYSA-N 1 1 274.433 3.688 20 30 CHEDMO CC1=C(c2ccco2)C[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000338358762 1126738544 /nfs/dbraw/zinc/73/85/44/1126738544.db2.gz UBPPEONFTUFGEA-UHFFFAOYSA-N 1 1 296.345 3.970 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000338358762 1126738547 /nfs/dbraw/zinc/73/85/47/1126738547.db2.gz UBPPEONFTUFGEA-UHFFFAOYSA-N 1 1 296.345 3.970 20 30 CHEDMO C=C(Br)C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159633420 1126748271 /nfs/dbraw/zinc/74/82/71/1126748271.db2.gz BZCPMNJVCBXMAC-UHFFFAOYSA-N 1 1 295.007 3.992 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)n1 ZINC000159767986 1126752512 /nfs/dbraw/zinc/75/25/12/1126752512.db2.gz JCPXUMQQWYSPNG-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)n1 ZINC000159767986 1126752515 /nfs/dbraw/zinc/75/25/15/1126752515.db2.gz JCPXUMQQWYSPNG-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CC/C=C/c1ccccc1)C1CC1 ZINC000450618978 1126753544 /nfs/dbraw/zinc/75/35/44/1126753544.db2.gz VZRZJFABYGYSDL-FUVBFXSKSA-N 1 1 254.377 3.714 20 30 CHEDMO N#CCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152730283 1126757086 /nfs/dbraw/zinc/75/70/86/1126757086.db2.gz DKPPUASXMHKOSI-ZDUSSCGKSA-N 1 1 289.448 3.505 20 30 CHEDMO C=CCC[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000152689192 1126757379 /nfs/dbraw/zinc/75/73/79/1126757379.db2.gz CTSFSIAFTSFBGD-LBPRGKRZSA-N 1 1 250.411 3.591 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC(C)=C(C)C2)cc1OC ZINC000482461764 1126758538 /nfs/dbraw/zinc/75/85/38/1126758538.db2.gz UBEJWWBGKQZRSZ-UHFFFAOYSA-N 1 1 287.403 3.802 20 30 CHEDMO CC[C@](C)([NH2+]Cc1cccc(C#N)c1)c1nc(C)cs1 ZINC000174505930 1126770895 /nfs/dbraw/zinc/77/08/95/1126770895.db2.gz IVNYMUAFMVKIKR-INIZCTEOSA-N 1 1 285.416 3.738 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC12CCCCC2 ZINC000483304340 1126780107 /nfs/dbraw/zinc/78/01/07/1126780107.db2.gz JENXFODLGBZETC-HNNXBMFYSA-N 1 1 285.435 3.689 20 30 CHEDMO Fc1ccc(C#CC[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000483270323 1126777117 /nfs/dbraw/zinc/77/71/17/1126777117.db2.gz OQDALRCFAZWVJN-UHFFFAOYSA-N 1 1 271.379 3.689 20 30 CHEDMO CC1=C(C)C[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000483376398 1126784207 /nfs/dbraw/zinc/78/42/07/1126784207.db2.gz BVYSZRBZLPFNQN-UHFFFAOYSA-N 1 1 259.780 3.734 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](C#N)CC1 ZINC001170286937 1130479553 /nfs/dbraw/zinc/47/95/53/1130479553.db2.gz FVBQXYULWUOEGH-KGLIPLIRSA-N 1 1 276.811 3.897 20 30 CHEDMO CC[C@H](C[N@@H+](CC)Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000483372758 1126783079 /nfs/dbraw/zinc/78/30/79/1126783079.db2.gz WTISWUFGXCIBGI-QGZVFWFLSA-N 1 1 295.430 3.912 20 30 CHEDMO N#CCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175863347 1126786222 /nfs/dbraw/zinc/78/62/22/1126786222.db2.gz QVPQSDPBQSDXLN-LSDHHAIUSA-N 1 1 292.448 3.720 20 30 CHEDMO CCCCCCC[N@H+]1CCOCC12CCCCC2 ZINC001170308602 1130483180 /nfs/dbraw/zinc/48/31/80/1130483180.db2.gz WDUNGQSHSYYGOJ-UHFFFAOYSA-N 1 1 253.430 3.992 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000483549449 1126791446 /nfs/dbraw/zinc/79/14/46/1126791446.db2.gz YFRZNYAFPNSLGF-QZTJIDSGSA-N 1 1 253.389 3.693 20 30 CHEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccc(Cl)s1 ZINC000483533285 1126791993 /nfs/dbraw/zinc/79/19/93/1126791993.db2.gz YXGWXLXSXSUHCO-UHFFFAOYSA-N 1 1 275.804 3.885 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(Cl)s1 ZINC000483533285 1126791997 /nfs/dbraw/zinc/79/19/97/1126791997.db2.gz YXGWXLXSXSUHCO-UHFFFAOYSA-N 1 1 275.804 3.885 20 30 CHEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000924787865 1126792910 /nfs/dbraw/zinc/79/29/10/1126792910.db2.gz YKAOADOBSQKTHZ-IAQYHMDHSA-N 1 1 281.359 3.583 20 30 CHEDMO COc1cccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000483535564 1126793175 /nfs/dbraw/zinc/79/31/75/1126793175.db2.gz GTHPUQMWHWHNPO-HXUWFJFHSA-N 1 1 291.394 3.884 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000483725325 1126798637 /nfs/dbraw/zinc/79/86/37/1126798637.db2.gz IGXAXQIHPIMROB-SJLPKXTDSA-N 1 1 253.389 3.550 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483962305 1126805802 /nfs/dbraw/zinc/80/58/02/1126805802.db2.gz WLXMIMNQKAVUQS-UHFFFAOYSA-N 1 1 260.356 3.876 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483921263 1126806036 /nfs/dbraw/zinc/80/60/36/1126806036.db2.gz JGRNXCVTPMMLDG-HXUWFJFHSA-N 1 1 275.395 3.702 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000483963031 1126806077 /nfs/dbraw/zinc/80/60/77/1126806077.db2.gz XOIFGTCRQAFDDO-KRWDZBQOSA-N 1 1 286.419 3.618 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000483973461 1126806406 /nfs/dbraw/zinc/80/64/06/1126806406.db2.gz GECFDAZVTZPDBE-PXNSSMCTSA-N 1 1 275.395 3.916 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000483970395 1126806428 /nfs/dbraw/zinc/80/64/28/1126806428.db2.gz BORGIHGZHAZGOW-IBGZPJMESA-N 1 1 265.400 3.860 20 30 CHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC000483967168 1126806701 /nfs/dbraw/zinc/80/67/01/1126806701.db2.gz RKLSWPIEQBXVJM-KRWDZBQOSA-N 1 1 293.410 3.610 20 30 CHEDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483944896 1126806828 /nfs/dbraw/zinc/80/68/28/1126806828.db2.gz CZASIZOVCLEKHT-CYBMUJFWSA-N 1 1 260.356 3.709 20 30 CHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000484014215 1126809005 /nfs/dbraw/zinc/80/90/05/1126809005.db2.gz LPMUTYVGHIMYKD-CQSZACIVSA-N 1 1 281.321 3.701 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161441787 1126815178 /nfs/dbraw/zinc/81/51/78/1126815178.db2.gz IEQSIOFOOHFMPO-HOTGVXAUSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161441787 1126815181 /nfs/dbraw/zinc/81/51/81/1126815181.db2.gz IEQSIOFOOHFMPO-HOTGVXAUSA-N 1 1 290.407 3.557 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)CC(C)(C)CCC#N ZINC000179328162 1126826036 /nfs/dbraw/zinc/82/60/36/1126826036.db2.gz SONSHEYRUXVOLL-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO C=CC[N@@H+](CCOC)CCc1ccc2ccccc2c1 ZINC000484584356 1126830277 /nfs/dbraw/zinc/83/02/77/1126830277.db2.gz NVXCKKKCJOMAJE-UHFFFAOYSA-N 1 1 269.388 3.517 20 30 CHEDMO C=CC[N@@H+](CCc1ccncc1)CC1CCCCC1 ZINC000484689288 1126839638 /nfs/dbraw/zinc/83/96/38/1126839638.db2.gz LPAIPPCOHQIMFE-UHFFFAOYSA-N 1 1 258.409 3.692 20 30 CHEDMO CC[N@H+](Cc1ncc(C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000180445267 1126844635 /nfs/dbraw/zinc/84/46/35/1126844635.db2.gz KHFGDZOZJLAISS-ZDUSSCGKSA-N 1 1 285.416 3.906 20 30 CHEDMO CC[N@@H+](Cc1ncc(C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000180445267 1126844639 /nfs/dbraw/zinc/84/46/39/1126844639.db2.gz KHFGDZOZJLAISS-ZDUSSCGKSA-N 1 1 285.416 3.906 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cc(C)cc(C)c2)no1 ZINC000904548340 1126856358 /nfs/dbraw/zinc/85/63/58/1126856358.db2.gz IOADLOCBWGKITO-OAHLLOKOSA-N 1 1 285.391 3.633 20 30 CHEDMO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000181812350 1126861536 /nfs/dbraw/zinc/86/15/36/1126861536.db2.gz NTLZHLGXOUMCAR-SUMWQHHRSA-N 1 1 298.386 3.752 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000904602460 1126861764 /nfs/dbraw/zinc/86/17/64/1126861764.db2.gz PHVMBEASXWJVFO-HUUCEWRRSA-N 1 1 283.375 3.504 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000245556189 1129211672 /nfs/dbraw/zinc/21/16/72/1129211672.db2.gz IVTZHNYOHHRNNX-HFTRVMKXSA-N 1 1 284.403 3.742 20 30 CHEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183260429 1126883984 /nfs/dbraw/zinc/88/39/84/1126883984.db2.gz DPWXANBOAUOCSI-CYBMUJFWSA-N 1 1 294.389 3.656 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2ccncc2)c1 ZINC000183704972 1126890420 /nfs/dbraw/zinc/89/04/20/1126890420.db2.gz WTFRMOJKCJSMBC-OAHLLOKOSA-N 1 1 282.387 3.839 20 30 CHEDMO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C)cs1 ZINC000184347267 1126895252 /nfs/dbraw/zinc/89/52/52/1126895252.db2.gz DWDNRTRSPUMPOQ-OAHLLOKOSA-N 1 1 288.391 3.683 20 30 CHEDMO CCCCCCCC[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235090924 1130709655 /nfs/dbraw/zinc/70/96/55/1130709655.db2.gz 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270.763 3.844 20 30 CHEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccccc1C#N ZINC000042267799 1127035728 /nfs/dbraw/zinc/03/57/28/1127035728.db2.gz DUGOZQNGBKZAGF-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cccnc1 ZINC000270550330 1127057991 /nfs/dbraw/zinc/05/79/91/1127057991.db2.gz AXRFGDIMKXTILR-AWEZNQCLSA-N 1 1 265.360 3.536 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000488127962 1127058203 /nfs/dbraw/zinc/05/82/03/1127058203.db2.gz PGLMEYWPZUXLBK-GOSISDBHSA-N 1 1 284.403 3.678 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000488127962 1127058206 /nfs/dbraw/zinc/05/82/06/1127058206.db2.gz PGLMEYWPZUXLBK-GOSISDBHSA-N 1 1 284.403 3.678 20 30 CHEDMO CC(C)[N@H+](Cc1ccco1)Cc1ccc(C#N)s1 ZINC000271062037 1127066782 /nfs/dbraw/zinc/06/67/82/1127066782.db2.gz XPPWPCBNUJQKPW-UHFFFAOYSA-N 1 1 260.362 3.623 20 30 CHEDMO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C#N)s1 ZINC000271062037 1127066786 /nfs/dbraw/zinc/06/67/86/1127066786.db2.gz 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CC[N@@H+](CC1(SC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289003753 1127370583 /nfs/dbraw/zinc/37/05/83/1127370583.db2.gz FAUOKCFRLSJYLT-ZDUSSCGKSA-N 1 1 274.433 3.837 20 30 CHEDMO CC[C@@H](OCC[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000593031763 1127368153 /nfs/dbraw/zinc/36/81/53/1127368153.db2.gz NDMOJVMRXAQKAG-MRXNPFEDSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@@H](OCC[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000593031763 1127368158 /nfs/dbraw/zinc/36/81/58/1127368158.db2.gz NDMOJVMRXAQKAG-MRXNPFEDSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[N@@H+](CC1(SC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000289003750 1127370184 /nfs/dbraw/zinc/37/01/84/1127370184.db2.gz FAUOKCFRLSJYLT-CYBMUJFWSA-N 1 1 274.433 3.837 20 30 CHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)CC ZINC000480720774 1127380778 /nfs/dbraw/zinc/38/07/78/1127380778.db2.gz VGLPUWUMFIXDMZ-ZDUSSCGKSA-N 1 1 262.353 3.629 20 30 CHEDMO CC[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000593407342 1127383667 /nfs/dbraw/zinc/38/36/67/1127383667.db2.gz 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C[C@H](CCC#N)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000602704805 1127606991 /nfs/dbraw/zinc/60/69/91/1127606991.db2.gz JSBFVFLRVIASFJ-BVBHFADKSA-N 1 1 298.430 3.921 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602704655 1127607261 /nfs/dbraw/zinc/60/72/61/1127607261.db2.gz BYLPKXXPMBQQHU-CYBMUJFWSA-N 1 1 296.336 3.917 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000602720376 1127608779 /nfs/dbraw/zinc/60/87/79/1127608779.db2.gz CNSASZXJIICCHG-HOCLYGCPSA-N 1 1 256.393 3.588 20 30 CHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602758021 1127611386 /nfs/dbraw/zinc/61/13/86/1127611386.db2.gz FDQSIOSCQAMCFE-NSHDSACASA-N 1 1 264.319 3.651 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602772827 1127612985 /nfs/dbraw/zinc/61/29/85/1127612985.db2.gz KZEPEZCSAKXRMD-HNNXBMFYSA-N 1 1 270.376 3.526 20 30 CHEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000602774799 1127613010 /nfs/dbraw/zinc/61/30/10/1127613010.db2.gz BJVQFONFXJKJBW-OAHLLOKOSA-N 1 1 286.419 3.642 20 30 CHEDMO N#CCC1(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000602780845 1127613793 /nfs/dbraw/zinc/61/37/93/1127613793.db2.gz AHZSLIHUGXMYCO-SFHVURJKSA-N 1 1 291.398 3.587 20 30 CHEDMO N#CCC1(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000602780845 1127613794 /nfs/dbraw/zinc/61/37/94/1127613794.db2.gz AHZSLIHUGXMYCO-SFHVURJKSA-N 1 1 291.398 3.587 20 30 CHEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC1(CC#N)CC1 ZINC000602781842 1127613823 /nfs/dbraw/zinc/61/38/23/1127613823.db2.gz GDQRYJYMOXJEIR-GFCCVEGCSA-N 1 1 285.416 3.983 20 30 CHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602781842 1127613824 /nfs/dbraw/zinc/61/38/24/1127613824.db2.gz GDQRYJYMOXJEIR-GFCCVEGCSA-N 1 1 285.416 3.983 20 30 CHEDMO C[C@H]([NH2+]CC1(CC#N)CC1)c1c(F)cccc1Cl ZINC000602807654 1127615066 /nfs/dbraw/zinc/61/50/66/1127615066.db2.gz ZRFNIUAWMAQHDI-JTQLQIEISA-N 1 1 266.747 3.824 20 30 CHEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C(C)(C)C ZINC000602874104 1127619464 /nfs/dbraw/zinc/61/94/64/1127619464.db2.gz NIHPGGQOJVJSDJ-INIZCTEOSA-N 1 1 291.483 3.513 20 30 CHEDMO C[N@@H+]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C(C)(C)C ZINC000602874104 1127619465 /nfs/dbraw/zinc/61/94/65/1127619465.db2.gz NIHPGGQOJVJSDJ-INIZCTEOSA-N 1 1 291.483 3.513 20 30 CHEDMO C[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C(C)(C)C ZINC000602874104 1127619467 /nfs/dbraw/zinc/61/94/67/1127619467.db2.gz NIHPGGQOJVJSDJ-INIZCTEOSA-N 1 1 291.483 3.513 20 30 CHEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000602928480 1127621688 /nfs/dbraw/zinc/62/16/88/1127621688.db2.gz OGBZURZFKITSMU-XHDPSFHLSA-N 1 1 294.320 3.756 20 30 CHEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000602928480 1127621690 /nfs/dbraw/zinc/62/16/90/1127621690.db2.gz OGBZURZFKITSMU-XHDPSFHLSA-N 1 1 294.320 3.756 20 30 CHEDMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602974030 1127624888 /nfs/dbraw/zinc/62/48/88/1127624888.db2.gz IZSYVGGQHXKLOH-SMDDNHRTSA-N 1 1 282.309 3.829 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602974030 1127624889 /nfs/dbraw/zinc/62/48/89/1127624889.db2.gz IZSYVGGQHXKLOH-SMDDNHRTSA-N 1 1 282.309 3.829 20 30 CHEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602974764 1127624893 /nfs/dbraw/zinc/62/48/93/1127624893.db2.gz TXAGDGDYKPCITI-GXTWGEPZSA-N 1 1 282.309 3.829 20 30 CHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602974764 1127624895 /nfs/dbraw/zinc/62/48/95/1127624895.db2.gz TXAGDGDYKPCITI-GXTWGEPZSA-N 1 1 282.309 3.829 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602976786 1127624912 /nfs/dbraw/zinc/62/49/12/1127624912.db2.gz SWHSISRDVDDASV-RDJZCZTQSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602976786 1127624913 /nfs/dbraw/zinc/62/49/13/1127624913.db2.gz SWHSISRDVDDASV-RDJZCZTQSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CCCC1 ZINC000598588641 1127626528 /nfs/dbraw/zinc/62/65/28/1127626528.db2.gz AIPZJPLVLLAXBJ-INIZCTEOSA-N 1 1 280.456 3.578 20 30 CHEDMO C[C@H](C[N@@H+](C)CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000603053844 1127627725 /nfs/dbraw/zinc/62/77/25/1127627725.db2.gz FVQUMDWESPISLS-OAHLLOKOSA-N 1 1 280.456 3.701 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000362450247 1127636385 /nfs/dbraw/zinc/63/63/85/1127636385.db2.gz JFHUKJHAULAURO-LBPRGKRZSA-N 1 1 280.412 3.661 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000362383764 1127631619 /nfs/dbraw/zinc/63/16/19/1127631619.db2.gz BFZBMJNBISBPHK-CABCVRRESA-N 1 1 292.423 3.803 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCCc2scnc21)c1cccc(C#N)c1 ZINC000599026433 1127651417 /nfs/dbraw/zinc/65/14/17/1127651417.db2.gz APSSAUIDUAJLED-BXUZGUMPSA-N 1 1 283.400 3.743 20 30 CHEDMO C[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)c1ccc(F)cc1 ZINC000593697044 1127661597 /nfs/dbraw/zinc/66/15/97/1127661597.db2.gz KMDRWIJXTPQBDX-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)c1ccc(F)cc1 ZINC000593697044 1127661598 /nfs/dbraw/zinc/66/15/98/1127661598.db2.gz KMDRWIJXTPQBDX-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599338488 1127668979 /nfs/dbraw/zinc/66/89/79/1127668979.db2.gz SQFLFMKTWNEHOW-KRWDZBQOSA-N 1 1 294.402 3.544 20 30 CHEDMO Cc1ccc(C[N@H+](C)C2CCC(F)(F)CC2)cc1C#N ZINC000599419412 1127671010 /nfs/dbraw/zinc/67/10/10/1127671010.db2.gz MQAPKKQQKXWKBQ-UHFFFAOYSA-N 1 1 278.346 3.876 20 30 CHEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCCCC(C)(C)C#N ZINC000599627760 1127683259 /nfs/dbraw/zinc/68/32/59/1127683259.db2.gz NVSKGSLUAFQQKP-GFCCVEGCSA-N 1 1 258.356 3.826 20 30 CHEDMO CC1(C)CCC(C)(C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000599538317 1127679366 /nfs/dbraw/zinc/67/93/66/1127679366.db2.gz MNJVZMHIGTVXST-UHFFFAOYSA-N 1 1 292.467 3.988 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553112 1127680503 /nfs/dbraw/zinc/68/05/03/1127680503.db2.gz NOKIFXXJLGENDW-WQVCFCJDSA-N 1 1 272.417 3.589 20 30 CHEDMO 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1 1 280.362 3.879 20 30 CHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000604016874 1127689097 /nfs/dbraw/zinc/68/90/97/1127689097.db2.gz KKHDOCOLZIBYRK-LJQANCHMSA-N 1 1 294.373 3.904 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC(C)C)c(C)c2)C1 ZINC001238751559 1131240502 /nfs/dbraw/zinc/24/05/02/1131240502.db2.gz FVWVZFAQQYTCKQ-QGZVFWFLSA-N 1 1 285.431 3.936 20 30 CHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000368267530 1127757942 /nfs/dbraw/zinc/75/79/42/1127757942.db2.gz QCFDZSIOSHEYMX-TWMKSMIVSA-N 1 1 292.467 3.578 20 30 CHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000029810315 1127763950 /nfs/dbraw/zinc/76/39/50/1127763950.db2.gz YTQGLCSSUZUXQV-LJQANCHMSA-N 1 1 292.382 3.556 20 30 CHEDMO CC(C)SCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409446583 1127767963 /nfs/dbraw/zinc/76/79/63/1127767963.db2.gz MUPSCWNMZGWLFF-SJORKVTESA-N 1 1 288.460 3.900 20 30 CHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCCCO1 ZINC000409446524 1127768517 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ZINC000607723948 1127825596 /nfs/dbraw/zinc/82/55/96/1127825596.db2.gz SQAJBJPCCUIPGK-OAHLLOKOSA-N 1 1 273.426 3.780 20 30 CHEDMO CC#CC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000607727769 1127826166 /nfs/dbraw/zinc/82/61/66/1127826166.db2.gz XSKODUPDTNFOTC-UHFFFAOYSA-N 1 1 280.209 3.683 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000173538688 1127836371 /nfs/dbraw/zinc/83/63/71/1127836371.db2.gz YKBGEDAAGXILEH-MRXNPFEDSA-N 1 1 294.826 3.635 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000173538688 1127836377 /nfs/dbraw/zinc/83/63/77/1127836377.db2.gz YKBGEDAAGXILEH-MRXNPFEDSA-N 1 1 294.826 3.635 20 30 CHEDMO Cc1ncc(C[N@H+](C)CCC2(C#N)CCCCC2)s1 ZINC000411176691 1127846015 /nfs/dbraw/zinc/84/60/15/1127846015.db2.gz WYXOLUAEQRRTNK-UHFFFAOYSA-N 1 1 277.437 3.748 20 30 CHEDMO Cc1ncc(C[N@@H+](C)CCC2(C#N)CCCCC2)s1 ZINC000411176691 1127846020 /nfs/dbraw/zinc/84/60/20/1127846020.db2.gz WYXOLUAEQRRTNK-UHFFFAOYSA-N 1 1 277.437 3.748 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245757080 1129222633 /nfs/dbraw/zinc/22/26/33/1129222633.db2.gz OWYORRDPOSIGBV-CVEARBPZSA-N 1 1 286.419 3.990 20 30 CHEDMO CCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000411198211 1127848658 /nfs/dbraw/zinc/84/86/58/1127848658.db2.gz DZBNYNLEFDUULB-HOCLYGCPSA-N 1 1 260.356 3.730 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1cccc(Cl)n1 ZINC000173787713 1127852908 /nfs/dbraw/zinc/85/29/08/1127852908.db2.gz SOFGGMQBXKIYLX-UHFFFAOYSA-N 1 1 252.789 3.913 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000411638186 1127867481 /nfs/dbraw/zinc/86/74/81/1127867481.db2.gz ZPJUWOGBWBIEHW-JTQLQIEISA-N 1 1 299.187 3.712 20 30 CHEDMO CC(C)c1cccc2c1CC[N@H+]([C@H](C)CCC#N)C2 ZINC000411624569 1127868198 /nfs/dbraw/zinc/86/81/98/1127868198.db2.gz UMMIECWOZAKOAA-CQSZACIVSA-N 1 1 256.393 3.860 20 30 CHEDMO Cc1cc(C[N@H+]2CCSC3(CCC3)CC2)ccc1C#N ZINC000411874154 1127876618 /nfs/dbraw/zinc/87/66/18/1127876618.db2.gz GNUHFLZWGGUMHG-UHFFFAOYSA-N 1 1 286.444 3.728 20 30 CHEDMO N#CCC[C@H](C#N)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411993823 1127885483 /nfs/dbraw/zinc/88/54/83/1127885483.db2.gz XWHNGHOIOBJRSD-SJLPKXTDSA-N 1 1 293.414 3.700 20 30 CHEDMO C[N@@H+](CCOCCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412015966 1127887435 /nfs/dbraw/zinc/88/74/35/1127887435.db2.gz VIXUFRRRKJXEJL-MSOLQXFVSA-N 1 1 286.419 3.575 20 30 CHEDMO CC(C)C[N@@H+](CCCCC#N)CCc1ccccc1 ZINC000608832869 1127889661 /nfs/dbraw/zinc/88/96/61/1127889661.db2.gz ZEGNVHOYKYFZCN-UHFFFAOYSA-N 1 1 258.409 3.881 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000442894851 1127920595 /nfs/dbraw/zinc/92/05/95/1127920595.db2.gz CJSGAYFZRXOMKB-UONOGXRCSA-N 1 1 256.393 3.987 20 30 CHEDMO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc(C#N)c1 ZINC000539498402 1127926904 /nfs/dbraw/zinc/92/69/04/1127926904.db2.gz OGTFGVSYKDUROY-KXBFYZLASA-N 1 1 299.462 3.719 20 30 CHEDMO CC(C)(C)OC(=O)Nc1cc(NCCCCC#N)cc[nH+]1 ZINC001168431384 1127931707 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CC[N@@H+](CC[C@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000188871622 1120035573 /nfs/dbraw/zinc/03/55/73/1120035573.db2.gz FLBRQBCKFRFRKH-WMLDXEAASA-N 1 1 272.392 3.510 20 30 CHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC#Cc2ccccc2)C1 ZINC000376559289 1120049565 /nfs/dbraw/zinc/04/95/65/1120049565.db2.gz UKPAHPLFPLLHLS-LPHOPBHVSA-N 1 1 276.383 3.516 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000153541680 1120061735 /nfs/dbraw/zinc/06/17/35/1120061735.db2.gz AYOBQZRTSVIMMZ-AWEZNQCLSA-N 1 1 258.346 3.550 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000153541680 1120061738 /nfs/dbraw/zinc/06/17/38/1120061738.db2.gz AYOBQZRTSVIMMZ-AWEZNQCLSA-N 1 1 258.346 3.550 20 30 CHEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1sccc1Cl ZINC000903102020 1120069560 /nfs/dbraw/zinc/06/95/60/1120069560.db2.gz PNYUKRBGWQLCML-JTQLQIEISA-N 1 1 256.802 3.992 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000122231928 1120075282 /nfs/dbraw/zinc/07/52/82/1120075282.db2.gz MQBSMADHSYFURQ-SNVBAGLBSA-N 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N#CCC1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000893118314 1120228645 /nfs/dbraw/zinc/22/86/45/1120228645.db2.gz FEXXSUIJULFHKU-UHFFFAOYSA-N 1 1 294.402 3.572 20 30 CHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000480862145 1120232144 /nfs/dbraw/zinc/23/21/44/1120232144.db2.gz BWZDBKYHXWMSEF-IAQYHMDHSA-N 1 1 262.784 3.975 20 30 CHEDMO C=CC1(CC(=O)Nc2cc[nH+]c(N(C)C)c2)CCCCC1 ZINC001127649863 1128901152 /nfs/dbraw/zinc/90/11/52/1128901152.db2.gz KABBKSTZNXBZNG-UHFFFAOYSA-N 1 1 287.407 3.613 20 30 CHEDMO CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000930508047 1120245525 /nfs/dbraw/zinc/24/55/25/1120245525.db2.gz MAMKTRHKGLAKQP-JKSUJKDBSA-N 1 1 290.451 3.740 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000111190879 1120254917 /nfs/dbraw/zinc/25/49/17/1120254917.db2.gz QTCMKFSINKFPKO-QGZVFWFLSA-N 1 1 254.377 3.879 20 30 CHEDMO CC[N@@H+](CCCSC)[C@H](C)c1ccc(C#N)cc1 ZINC000172721609 1120257550 /nfs/dbraw/zinc/25/75/50/1120257550.db2.gz CYSHHTFMDSKCSX-CYBMUJFWSA-N 1 1 262.422 3.694 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)nc(C)n1)CC1CCCCC1 ZINC000659920655 1120286525 /nfs/dbraw/zinc/28/65/25/1120286525.db2.gz RKTWBIMKJXPRQW-UHFFFAOYSA-N 1 1 273.424 3.662 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000077207525 1120318410 /nfs/dbraw/zinc/31/84/10/1120318410.db2.gz DTDWRVFVWQHWID-UHFFFAOYSA-N 1 1 256.374 3.560 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000672554740 1120324233 /nfs/dbraw/zinc/32/42/33/1120324233.db2.gz IODIOMFVYSXCOQ-UHFFFAOYSA-N 1 1 279.252 3.992 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1[C@H](C)[N@@H+](C)C[C@@H]2C ZINC000416392393 1120324288 /nfs/dbraw/zinc/32/42/88/1120324288.db2.gz SGVZJWHENSMCOY-JQWIXIFHSA-N 1 1 265.360 3.525 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1[C@H](C)[N@H+](C)C[C@@H]2C ZINC000416392393 1120324292 /nfs/dbraw/zinc/32/42/92/1120324292.db2.gz SGVZJWHENSMCOY-JQWIXIFHSA-N 1 1 265.360 3.525 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1[C@@H](C)[N@@H+](C)C[C@@H]2C ZINC000416392392 1120324478 /nfs/dbraw/zinc/32/44/78/1120324478.db2.gz SGVZJWHENSMCOY-CMPLNLGQSA-N 1 1 265.360 3.525 20 30 CHEDMO Cc1c2cc(C#N)ccc2nc2c1[C@@H](C)[N@H+](C)C[C@@H]2C ZINC000416392392 1120324481 /nfs/dbraw/zinc/32/44/81/1120324481.db2.gz SGVZJWHENSMCOY-CMPLNLGQSA-N 1 1 265.360 3.525 20 30 CHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000363844824 1120334035 /nfs/dbraw/zinc/33/40/35/1120334035.db2.gz JHHVFZLWIZEXPN-UGSOOPFHSA-N 1 1 296.370 3.743 20 30 CHEDMO CC(C)C[C@@H](C)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000499586307 1120343853 /nfs/dbraw/zinc/34/38/53/1120343853.db2.gz BKDWXLVICMOCCD-QAPCUYQASA-N 1 1 286.419 3.614 20 30 CHEDMO CC(C)C[C@H](C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000499586305 1120344190 /nfs/dbraw/zinc/34/41/90/1120344190.db2.gz BKDWXLVICMOCCD-MAUKXSAKSA-N 1 1 286.419 3.614 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930815951 1120430012 /nfs/dbraw/zinc/43/00/12/1120430012.db2.gz GQGZEDNXCCEAGE-HNNXBMFYSA-N 1 1 280.371 3.577 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000543243925 1120473836 /nfs/dbraw/zinc/47/38/36/1120473836.db2.gz BPBCHFDMDINIKF-OAHLLOKOSA-N 1 1 259.368 3.545 20 30 CHEDMO Cc1occc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092438574 1120478736 /nfs/dbraw/zinc/47/87/36/1120478736.db2.gz HULHVQZOCLKDND-ZDUSSCGKSA-N 1 1 284.359 3.511 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000069085875 1120491790 /nfs/dbraw/zinc/49/17/90/1120491790.db2.gz HMZQXILUMSGBBO-SFHVURJKSA-N 1 1 292.382 3.904 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000069085875 1120491794 /nfs/dbraw/zinc/49/17/94/1120491794.db2.gz HMZQXILUMSGBBO-SFHVURJKSA-N 1 1 292.382 3.904 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccn1)c1ccccc1 ZINC000925632759 1120495863 /nfs/dbraw/zinc/49/58/63/1120495863.db2.gz AMUBTNMRRQIBEU-YOEHRIQHSA-N 1 1 280.371 3.505 20 30 CHEDMO Cc1nsc(C)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000566569972 1120514206 /nfs/dbraw/zinc/51/42/06/1120514206.db2.gz 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C=C(C)C[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000182631835 1128990341 /nfs/dbraw/zinc/99/03/41/1128990341.db2.gz JDGIJWCNZJKVKE-UHFFFAOYSA-N 1 1 271.360 3.562 20 30 CHEDMO FC1(F)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000625767430 1121489700 /nfs/dbraw/zinc/48/97/00/1121489700.db2.gz ASSJDJJXRSZEKH-UHFFFAOYSA-N 1 1 283.749 3.813 20 30 CHEDMO CC[N@@H+](CCOCC1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000419216171 1121489905 /nfs/dbraw/zinc/48/99/05/1121489905.db2.gz ZROFNQFIYDNPPV-HNNXBMFYSA-N 1 1 286.419 3.758 20 30 CHEDMO C=C(C)CC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000509266568 1121494259 /nfs/dbraw/zinc/49/42/59/1121494259.db2.gz YWCKTFHKJPDCRU-SFHVURJKSA-N 1 1 289.419 3.642 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000034674509 1121523595 /nfs/dbraw/zinc/52/35/95/1121523595.db2.gz ACBIBWWWAHAJHK-MRXNPFEDSA-N 1 1 272.392 3.592 20 30 CHEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000509311938 1121525169 /nfs/dbraw/zinc/52/51/69/1121525169.db2.gz APISCYCBQRQCFH-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000433048643 1121534229 /nfs/dbraw/zinc/53/42/29/1121534229.db2.gz XWJMXIWRNFXLKP-DOTOQJQBSA-N 1 1 286.419 3.990 20 30 CHEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619513385 1128993272 /nfs/dbraw/zinc/99/32/72/1128993272.db2.gz HGSMMWHFHLISJA-UHFFFAOYSA-N 1 1 293.414 3.823 20 30 CHEDMO C=CCc1cc(C[N@@H+](CC(C)C)C(C)C)cc(OC)c1O ZINC000509401004 1121572699 /nfs/dbraw/zinc/57/26/99/1121572699.db2.gz RTUWSELEEKBPSY-UHFFFAOYSA-N 1 1 291.435 3.996 20 30 CHEDMO N#CC1(CC[N@H+]2CCC[C@H]2C2CCOCC2)CCCCC1 ZINC000411491985 1121595441 /nfs/dbraw/zinc/59/54/41/1121595441.db2.gz FWNKBVKVPAOVLD-KRWDZBQOSA-N 1 1 290.451 3.742 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccco1 ZINC000671760787 1121600232 /nfs/dbraw/zinc/60/02/32/1121600232.db2.gz WRLSHOXQYPGWQT-OAHLLOKOSA-N 1 1 295.386 3.963 20 30 CHEDMO CN(c1ccccc1)c1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000619535234 1128996255 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C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCc2ccccc21 ZINC000611549061 1121655460 /nfs/dbraw/zinc/65/54/60/1121655460.db2.gz ZLKPKEICBGRDTK-INIZCTEOSA-N 1 1 294.373 3.859 20 30 CHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)c1 ZINC000611555036 1121655640 /nfs/dbraw/zinc/65/56/40/1121655640.db2.gz JZWXDROLLNHPQS-RISCZKNCSA-N 1 1 282.309 3.721 20 30 CHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000611553993 1121655684 /nfs/dbraw/zinc/65/56/84/1121655684.db2.gz AOIAGORDCGZSBV-SMDDNHRTSA-N 1 1 282.309 3.721 20 30 CHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCC(C)(C)C#N ZINC000611554286 1121655830 /nfs/dbraw/zinc/65/58/30/1121655830.db2.gz KFHNYRPTCBXSRS-RYUDHWBXSA-N 1 1 276.346 3.979 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC001176767859 1121693819 /nfs/dbraw/zinc/69/38/19/1121693819.db2.gz WMXXHFHSEMJLMY-MRXNPFEDSA-N 1 1 269.392 3.573 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001176815707 1121695429 /nfs/dbraw/zinc/69/54/29/1121695429.db2.gz 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1121769934 /nfs/dbraw/zinc/76/99/34/1121769934.db2.gz QQCAXZPDKDBLOY-UHFFFAOYSA-N 1 1 294.398 3.654 20 30 CHEDMO C#Cc1ccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC001119345360 1121774812 /nfs/dbraw/zinc/77/48/12/1121774812.db2.gz OVXSJHQTLSQNGK-ZDUSSCGKSA-N 1 1 296.439 3.539 20 30 CHEDMO CO[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000619781317 1129013094 /nfs/dbraw/zinc/01/30/94/1129013094.db2.gz UFBPRGIRESWLSZ-HZPDHXFCSA-N 1 1 292.810 3.653 20 30 CHEDMO CO[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000619781317 1129013099 /nfs/dbraw/zinc/01/30/99/1129013099.db2.gz UFBPRGIRESWLSZ-HZPDHXFCSA-N 1 1 292.810 3.653 20 30 CHEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000731033028 1121844124 /nfs/dbraw/zinc/84/41/24/1121844124.db2.gz UOIRHSFXIJNJPB-OAHLLOKOSA-N 1 1 294.398 3.819 20 30 CHEDMO C=C(Cl)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399677 1121866248 /nfs/dbraw/zinc/86/62/48/1121866248.db2.gz QFMDKKKKVHOJPL-CYBMUJFWSA-N 1 1 267.800 3.701 20 30 CHEDMO C=CC[N@H+](C[C@H](O)c1ccccc1)CC1CCCCC1 ZINC000732666810 1121931736 /nfs/dbraw/zinc/93/17/36/1121931736.db2.gz DLCHFOUVQQMARV-SFHVURJKSA-N 1 1 273.420 3.788 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000501209655 1121963359 /nfs/dbraw/zinc/96/33/59/1121963359.db2.gz OPVLDABCWUGMHZ-UKPHBRMFSA-N 1 1 284.403 3.720 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccnn1C1CCC1 ZINC001180198923 1121964800 /nfs/dbraw/zinc/96/48/00/1121964800.db2.gz LYCDBQCXIQMDEC-UHFFFAOYSA-N 1 1 261.413 3.786 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCCc1ccccc1 ZINC000501257356 1121965256 /nfs/dbraw/zinc/96/52/56/1121965256.db2.gz PCGUNPZMIVLENT-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414427407 1121968352 /nfs/dbraw/zinc/96/83/52/1121968352.db2.gz FNHMUSYSSUIKLC-LBPRGKRZSA-N 1 1 270.298 3.796 20 30 CHEDMO CCCCCCCC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000733274059 1121972489 /nfs/dbraw/zinc/97/24/89/1121972489.db2.gz QRWQHLIDPYYWEG-MRXNPFEDSA-N 1 1 282.472 3.728 20 30 CHEDMO CCC1(CC)C[N@@H+](Cc2csc(C#N)c2)CCS1 ZINC001180623678 1122001034 /nfs/dbraw/zinc/00/10/34/1122001034.db2.gz RRKOUNHKCDEARK-UHFFFAOYSA-N 1 1 280.462 3.727 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](CC)[C@H]1C ZINC001181044610 1122029682 /nfs/dbraw/zinc/02/96/82/1122029682.db2.gz WJXCNJKPMCKPKX-ZIAGYGMSSA-N 1 1 291.822 3.972 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(C)c1Cl ZINC001181297024 1122046938 /nfs/dbraw/zinc/04/69/38/1122046938.db2.gz JLJBBHLHWZGVAO-SECBINFHSA-N 1 1 256.176 3.755 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(C)c1Cl ZINC001181297024 1122046937 /nfs/dbraw/zinc/04/69/37/1122046937.db2.gz JLJBBHLHWZGVAO-SECBINFHSA-N 1 1 256.176 3.755 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420938311 1122046962 /nfs/dbraw/zinc/04/69/62/1122046962.db2.gz AQRCLDFWMCGTLL-HNNXBMFYSA-N 1 1 296.336 3.917 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2c(F)cccc2c1 ZINC001181315239 1122049058 /nfs/dbraw/zinc/04/90/58/1122049058.db2.gz LAOULKHUFMQGFB-OAHLLOKOSA-N 1 1 270.351 3.914 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)C1CC(OC(C)(C)C)C1 ZINC000420999692 1122059026 /nfs/dbraw/zinc/05/90/26/1122059026.db2.gz CPKFFVXSZAVAON-UHFFFAOYSA-N 1 1 266.429 3.594 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000421381642 1122103479 /nfs/dbraw/zinc/10/34/79/1122103479.db2.gz AQMYNHIDKJHFBS-GFCCVEGCSA-N 1 1 276.346 3.981 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(C)c2C)cc1 ZINC001182008158 1122105913 /nfs/dbraw/zinc/10/59/13/1122105913.db2.gz RFZPUWGJWZWUCU-UHFFFAOYSA-N 1 1 263.384 3.917 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)cc1 ZINC000779603793 1129032369 /nfs/dbraw/zinc/03/23/69/1129032369.db2.gz BQHXLFSAAUGQBP-HOTGVXAUSA-N 1 1 298.430 3.990 20 30 CHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000502877361 1122152113 /nfs/dbraw/zinc/15/21/13/1122152113.db2.gz NGZLOEVRURUQAT-IBGZPJMESA-N 1 1 294.373 3.937 20 30 CHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000502925283 1122157120 /nfs/dbraw/zinc/15/71/20/1122157120.db2.gz YVNOCXGHHIMSRJ-LJQANCHMSA-N 1 1 294.373 3.937 20 30 CHEDMO CC#CCC[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502952713 1122158149 /nfs/dbraw/zinc/15/81/49/1122158149.db2.gz NQCMUYUPWBDWHC-MRXNPFEDSA-N 1 1 286.419 3.529 20 30 CHEDMO Fc1ccc(CO[NH+]=C2CCCNc3ccccc32)cc1 ZINC000774408736 1122162192 /nfs/dbraw/zinc/16/21/92/1122162192.db2.gz ICCHAAVKORNUBY-UHFFFAOYSA-N 1 1 284.334 3.952 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC001182546081 1122175074 /nfs/dbraw/zinc/17/50/74/1122175074.db2.gz ZZDGPMFQPCDYSE-VFQAQYNWSA-N 1 1 275.342 3.713 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001183065707 1122204164 /nfs/dbraw/zinc/20/41/64/1122204164.db2.gz OPEXCVPSNPTFSQ-HNNXBMFYSA-N 1 1 270.420 3.667 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC001183064901 1122204848 /nfs/dbraw/zinc/20/48/48/1122204848.db2.gz AIFOQKVALQOUOW-INIZCTEOSA-N 1 1 295.430 3.794 20 30 CHEDMO CC(=[NH+]OC1CCCC1)c1ccc(N2CCCC2)cc1O ZINC000774607984 1122213385 /nfs/dbraw/zinc/21/33/85/1122213385.db2.gz JXSNZKRINJJRMY-UHFFFAOYSA-N 1 1 288.391 3.676 20 30 CHEDMO Cc1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)sc1C ZINC000894270610 1122243212 /nfs/dbraw/zinc/24/32/12/1122243212.db2.gz GEZMEYCFUFJXFA-UHFFFAOYSA-N 1 1 291.807 3.575 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCc2ccccc2F)ccc1C#N ZINC000774853004 1122332406 /nfs/dbraw/zinc/33/24/06/1122332406.db2.gz MEECAGMZLNDHIW-UHFFFAOYSA-N 1 1 282.362 3.680 20 30 CHEDMO C=CCN(Cc1ccccc1)c1[nH+]cnc2[nH]cc(CC)c21 ZINC001185940805 1122366984 /nfs/dbraw/zinc/36/69/84/1122366984.db2.gz XWIGXWTVNMQTIL-UHFFFAOYSA-N 1 1 292.386 3.713 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(F)cn2)CCCC1(C)C ZINC000434505967 1122374069 /nfs/dbraw/zinc/37/40/69/1122374069.db2.gz AKOQZPSSMOFGNC-HNNXBMFYSA-N 1 1 262.372 3.787 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)s2)CC12CCC2 ZINC000430086260 1122397077 /nfs/dbraw/zinc/39/70/77/1122397077.db2.gz CUXXNSFFMBTVJO-CQSZACIVSA-N 1 1 260.406 3.630 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)s1 ZINC000336736138 1122423352 /nfs/dbraw/zinc/42/33/52/1122423352.db2.gz MJKQGJJDDSGSGV-SECBINFHSA-N 1 1 254.786 3.746 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000505604201 1122433820 /nfs/dbraw/zinc/43/38/20/1122433820.db2.gz DOEDMMDZZQGNFI-UHFFFAOYSA-N 1 1 273.401 3.945 20 30 CHEDMO Cc1cc(C)c(CSc2cccnc2C#N)c(C)[nH+]1 ZINC000601083642 1122441663 /nfs/dbraw/zinc/44/16/63/1122441663.db2.gz JFISYYHYDUEOQT-UHFFFAOYSA-N 1 1 269.373 3.566 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000405149765 1122446075 /nfs/dbraw/zinc/44/60/75/1122446075.db2.gz GWFQEWHINLWEMO-UHFFFAOYSA-N 1 1 282.309 3.879 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000514885892 1122461732 /nfs/dbraw/zinc/46/17/32/1122461732.db2.gz ABRJPULBUUQCKH-MRXNPFEDSA-N 1 1 291.435 3.623 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000775183999 1122471410 /nfs/dbraw/zinc/47/14/10/1122471410.db2.gz RMIYMVTUKNYPSY-CYBMUJFWSA-N 1 1 255.386 3.869 20 30 CHEDMO C=C(C)COc1cc(C[N@@H+](C)CC2CCC2)ccc1OC ZINC000435767855 1122487303 /nfs/dbraw/zinc/48/73/03/1122487303.db2.gz LSPYGOXALQLBBO-UHFFFAOYSA-N 1 1 289.419 3.882 20 30 CHEDMO N#Cc1c(C[N@H+]2CCC[C@H]2C2CCCC2)cn2ccccc12 ZINC000515509462 1122504617 /nfs/dbraw/zinc/50/46/17/1122504617.db2.gz YMBCILRNTGQLGY-SFHVURJKSA-N 1 1 293.414 3.966 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000505765998 1122517639 /nfs/dbraw/zinc/51/76/39/1122517639.db2.gz KIBYNJKBWJBSCM-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO C#CCOCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC001190510796 1122540642 /nfs/dbraw/zinc/54/06/42/1122540642.db2.gz PWLDGLCECCVGKU-LJQANCHMSA-N 1 1 279.383 3.627 20 30 CHEDMO CC(C)CCOCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533490 1122544254 /nfs/dbraw/zinc/54/42/54/1122544254.db2.gz KWLRGXNNANRIHW-OAHLLOKOSA-N 1 1 274.408 3.614 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CC1(O)CCCCCC1 ZINC001190699070 1122550265 /nfs/dbraw/zinc/55/02/65/1122550265.db2.gz DXURCWRAZDTOBJ-UHFFFAOYSA-N 1 1 287.447 3.802 20 30 CHEDMO C#CCN(C[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001190698770 1122550641 /nfs/dbraw/zinc/55/06/41/1122550641.db2.gz BBMOMBJZDQHCGI-SFHVURJKSA-N 1 1 276.468 3.517 20 30 CHEDMO C#CC[N@@H+](C[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001190698770 1122550642 /nfs/dbraw/zinc/55/06/42/1122550642.db2.gz BBMOMBJZDQHCGI-SFHVURJKSA-N 1 1 276.468 3.517 20 30 CHEDMO C#CC[N@H+](C[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001190698770 1122550644 /nfs/dbraw/zinc/55/06/44/1122550644.db2.gz BBMOMBJZDQHCGI-SFHVURJKSA-N 1 1 276.468 3.517 20 30 CHEDMO Cc1ccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)cc1C#N ZINC001191071486 1122569265 /nfs/dbraw/zinc/56/92/65/1122569265.db2.gz WHXFODAVZNGZFY-HIFRSBDPSA-N 1 1 256.393 3.877 20 30 CHEDMO C=C(Cl)C[N@H+](CCC)[C@H]1C[C@H](OCC)C1(C)C ZINC001191099122 1122571368 /nfs/dbraw/zinc/57/13/68/1122571368.db2.gz IUJQKJVPPLCZIG-STQMWFEESA-N 1 1 259.821 3.655 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001191086118 1122576187 /nfs/dbraw/zinc/57/61/87/1122576187.db2.gz XYYLGTQVNVIJRK-DOTOQJQBSA-N 1 1 273.807 3.956 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)ccc1OC(F)F ZINC000505872459 1122577621 /nfs/dbraw/zinc/57/76/21/1122577621.db2.gz NNIUPXIHWLKTNH-UHFFFAOYSA-N 1 1 285.334 3.695 20 30 CHEDMO C#CCCCCCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC001191342009 1122591089 /nfs/dbraw/zinc/59/10/89/1122591089.db2.gz NXJKWHWBENCTLG-GOSISDBHSA-N 1 1 273.420 3.626 20 30 CHEDMO CO[C@H](C[N@H+](CCC#N)CCC(C)C)c1ccc(F)cc1 ZINC001191367712 1122596331 /nfs/dbraw/zinc/59/63/31/1122596331.db2.gz UGSIDZQMLHFJCN-QGZVFWFLSA-N 1 1 292.398 3.775 20 30 CHEDMO CO[C@H](C[N@@H+](CCC#N)CCC(C)C)c1ccc(F)cc1 ZINC001191367712 1122596334 /nfs/dbraw/zinc/59/63/34/1122596334.db2.gz UGSIDZQMLHFJCN-QGZVFWFLSA-N 1 1 292.398 3.775 20 30 CHEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001191406884 1122597698 /nfs/dbraw/zinc/59/76/98/1122597698.db2.gz CAGAMSYEPAGBJL-AWEZNQCLSA-N 1 1 284.428 3.725 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001191494950 1122601953 /nfs/dbraw/zinc/60/19/53/1122601953.db2.gz DBFSIDFZYNIROT-MRXNPFEDSA-N 1 1 259.393 3.668 20 30 CHEDMO Cc1cnccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000516537823 1122610266 /nfs/dbraw/zinc/61/02/66/1122610266.db2.gz UXKFEVAKZYSHLN-RBUKOAKNSA-N 1 1 291.398 3.662 20 30 CHEDMO Cc1cnccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000516537823 1122610267 /nfs/dbraw/zinc/61/02/67/1122610267.db2.gz UXKFEVAKZYSHLN-RBUKOAKNSA-N 1 1 291.398 3.662 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437120869 1122615820 /nfs/dbraw/zinc/61/58/20/1122615820.db2.gz CBOUXSGZNDXKKO-LBPRGKRZSA-N 1 1 294.345 3.782 20 30 CHEDMO C=C(CC)C[N@H+](C)[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC001191986019 1122623239 /nfs/dbraw/zinc/62/32/39/1122623239.db2.gz IOWUZMJSOGSFOK-HUUCEWRRSA-N 1 1 253.430 3.868 20 30 CHEDMO C#CCCCCCC[N@H+](CCO)[C@H](C)c1ccccc1 ZINC001192358568 1122641876 /nfs/dbraw/zinc/64/18/76/1122641876.db2.gz LIBMOPZHSCLKDA-QGZVFWFLSA-N 1 1 273.420 3.626 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437581386 1122643658 /nfs/dbraw/zinc/64/36/58/1122643658.db2.gz PIHJQNGFLABWMO-KBAYOESNSA-N 1 1 270.420 3.978 20 30 CHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437633767 1122646551 /nfs/dbraw/zinc/64/65/51/1122646551.db2.gz YOKDYSOCTVESCH-SMDDNHRTSA-N 1 1 294.345 3.780 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1OCC ZINC001192772343 1122658137 /nfs/dbraw/zinc/65/81/37/1122658137.db2.gz WRHLJSNQDYMYJT-ZDUSSCGKSA-N 1 1 253.773 3.879 20 30 CHEDMO Cc1cccc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)n1 ZINC000437899922 1122661541 /nfs/dbraw/zinc/66/15/41/1122661541.db2.gz XXCACOTZNNRHDQ-UHFFFAOYSA-N 1 1 284.790 3.527 20 30 CHEDMO Cc1cccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)n1 ZINC000437899922 1122661542 /nfs/dbraw/zinc/66/15/42/1122661542.db2.gz XXCACOTZNNRHDQ-UHFFFAOYSA-N 1 1 284.790 3.527 20 30 CHEDMO CCCCCCCC[NH2+][C@@H](CC)c1noc(C)n1 ZINC001193240498 1122681971 /nfs/dbraw/zinc/68/19/71/1122681971.db2.gz UIPUOKGBNSELKV-ZDUSSCGKSA-N 1 1 253.390 3.779 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)CC12CCCCC2 ZINC001193636644 1122702880 /nfs/dbraw/zinc/70/28/80/1122702880.db2.gz KQXNCNAKNHGJPX-OAHLLOKOSA-N 1 1 260.425 3.973 20 30 CHEDMO CCCCCCC[N@H+]1CCOc2cc(OC)ccc2C1 ZINC001193783323 1122716023 /nfs/dbraw/zinc/71/60/23/1122716023.db2.gz CDYHSFDPKJROCQ-UHFFFAOYSA-N 1 1 277.408 3.860 20 30 CHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001193872391 1122727570 /nfs/dbraw/zinc/72/75/70/1122727570.db2.gz NCTGSKMYBOEOTF-SFHVURJKSA-N 1 1 286.419 3.648 20 30 CHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000429594446 1122728997 /nfs/dbraw/zinc/72/89/97/1122728997.db2.gz XQBLSLMNWUXGBQ-XHDPSFHLSA-N 1 1 262.784 3.832 20 30 CHEDMO N#CCC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000439150743 1122755828 /nfs/dbraw/zinc/75/58/28/1122755828.db2.gz IFBUPXLKQUIMFG-KRWDZBQOSA-N 1 1 256.393 3.635 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCCC#N ZINC001205656336 1122759243 /nfs/dbraw/zinc/75/92/43/1122759243.db2.gz OBNOPIKJYBDOGL-WMZOPIPTSA-N 1 1 286.419 3.607 20 30 CHEDMO C#CCOCC[N@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001194301161 1122763472 /nfs/dbraw/zinc/76/34/72/1122763472.db2.gz WECGRHVENFDVTP-KRWDZBQOSA-N 1 1 273.420 3.664 20 30 CHEDMO C#CCCCCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001194401745 1122772955 /nfs/dbraw/zinc/77/29/55/1122772955.db2.gz UYSWOCQDIQDKMU-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001194401745 1122772957 /nfs/dbraw/zinc/77/29/57/1122772957.db2.gz UYSWOCQDIQDKMU-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(CCC)cs1 ZINC000426359014 1122773688 /nfs/dbraw/zinc/77/36/88/1122773688.db2.gz BXHKCRMXXAZWFV-UHFFFAOYSA-N 1 1 290.432 3.919 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(CCC)cs1 ZINC000426359014 1122773691 /nfs/dbraw/zinc/77/36/91/1122773691.db2.gz BXHKCRMXXAZWFV-UHFFFAOYSA-N 1 1 290.432 3.919 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001194632986 1122787718 /nfs/dbraw/zinc/78/77/18/1122787718.db2.gz KLKMTZPMFCODPK-DOMZBBRYSA-N 1 1 265.784 3.758 20 30 CHEDMO CCCCCCCCOC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001194743709 1122793698 /nfs/dbraw/zinc/79/36/98/1122793698.db2.gz OUOXPTKMZPOKLW-QGZVFWFLSA-N 1 1 296.455 3.511 20 30 CHEDMO CCCCCCCCOC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001194743914 1122793839 /nfs/dbraw/zinc/79/38/39/1122793839.db2.gz SFTQDPDGKKNMRZ-CVEARBPZSA-N 1 1 296.455 3.652 20 30 CHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC23CCC3)cc1 ZINC000426448956 1122796152 /nfs/dbraw/zinc/79/61/52/1122796152.db2.gz HNQFRCGKOWWYDA-UHFFFAOYSA-N 1 1 279.305 3.685 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426469783 1122799609 /nfs/dbraw/zinc/79/96/09/1122799609.db2.gz RKBXURWBYCNEJW-NHYWBVRUSA-N 1 1 260.768 3.586 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426462056 1122799982 /nfs/dbraw/zinc/79/99/82/1122799982.db2.gz RWPMKPCCJCTXCO-GOEBONIOSA-N 1 1 259.780 3.566 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426478278 1122801993 /nfs/dbraw/zinc/80/19/93/1122801993.db2.gz AMNPFTMKNKPSCC-GDBMZVCRSA-N 1 1 259.780 3.566 20 30 CHEDMO SC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001203802687 1122828817 /nfs/dbraw/zinc/82/88/17/1122828817.db2.gz UIULWJIDXHZRAM-UHFFFAOYSA-N 1 1 276.232 3.888 20 30 CHEDMO C#CCCCCCC[N@H+](C)Cc1nc2ccccc2n1C ZINC001167967678 1122846852 /nfs/dbraw/zinc/84/68/52/1122846852.db2.gz JJGDFGKUOSUKOF-UHFFFAOYSA-N 1 1 283.419 3.589 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1C[C@H](OCCCC)C1(C)C ZINC001167967744 1122847230 /nfs/dbraw/zinc/84/72/30/1122847230.db2.gz KHKLPZVQWNJZCL-STQMWFEESA-N 1 1 259.821 3.655 20 30 CHEDMO C=CC[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894493796 1122864036 /nfs/dbraw/zinc/86/40/36/1122864036.db2.gz DDODTBAWECISRD-UHFFFAOYSA-N 1 1 252.770 3.568 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC001195425059 1122870234 /nfs/dbraw/zinc/87/02/34/1122870234.db2.gz KDRWLFRBBHISDB-XJKSGUPXSA-N 1 1 272.392 3.799 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Br)c2C)C1 ZINC001195558454 1122877184 /nfs/dbraw/zinc/87/71/84/1122877184.db2.gz OHBNMJBNKODDON-ZDUSSCGKSA-N 1 1 292.220 3.603 20 30 CHEDMO C=C(C)C[N@H+](Cc1[nH]nc(C)c1C)Cc1ccccc1 ZINC000894600755 1122878420 /nfs/dbraw/zinc/87/84/20/1122878420.db2.gz LYORIANXKUEYTK-UHFFFAOYSA-N 1 1 269.392 3.605 20 30 CHEDMO C=C(C)C[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccccc1 ZINC000894600755 1122878426 /nfs/dbraw/zinc/87/84/26/1122878426.db2.gz LYORIANXKUEYTK-UHFFFAOYSA-N 1 1 269.392 3.605 20 30 CHEDMO C=C(CC)C[N@H+]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC001195730261 1122882221 /nfs/dbraw/zinc/88/22/21/1122882221.db2.gz XBLZVEHQAPZSMW-RCCFBDPRSA-N 1 1 286.463 3.936 20 30 CHEDMO C=C(CC)CN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001195730261 1122882224 /nfs/dbraw/zinc/88/22/24/1122882224.db2.gz XBLZVEHQAPZSMW-RCCFBDPRSA-N 1 1 286.463 3.936 20 30 CHEDMO C=C(CC)CN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001195730261 1122882227 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Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)c(C)s1 ZINC001197104644 1122945718 /nfs/dbraw/zinc/94/57/18/1122945718.db2.gz JIKVMIAFJHMWQG-UHFFFAOYSA-N 1 1 284.428 3.911 20 30 CHEDMO C=C(C)CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC001197498462 1122959189 /nfs/dbraw/zinc/95/91/89/1122959189.db2.gz ZTZFEWMBLNZGLX-CYBMUJFWSA-N 1 1 275.392 3.589 20 30 CHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)Cc2ccccc21 ZINC001197552432 1122960157 /nfs/dbraw/zinc/96/01/57/1122960157.db2.gz JPMPICLPXWNTGF-OAHLLOKOSA-N 1 1 276.383 3.720 20 30 CHEDMO CC[N@@H+](C/C(C)=C\c1ccccc1COC)C[C@H](C)C#N ZINC000507586219 1122967042 /nfs/dbraw/zinc/96/70/42/1122967042.db2.gz VWINIQFGNVABGA-DDITZMBXSA-N 1 1 286.419 3.718 20 30 CHEDMO CC[N@H+](C/C(C)=C\c1ccccc1COC)C[C@H](C)C#N ZINC000507586219 1122967046 /nfs/dbraw/zinc/96/70/46/1122967046.db2.gz VWINIQFGNVABGA-DDITZMBXSA-N 1 1 286.419 3.718 20 30 CHEDMO C#CC[N@H+](CCCOc1c(C)cccc1C)C(C)(C)C ZINC001197938189 1122974966 /nfs/dbraw/zinc/97/49/66/1122974966.db2.gz XVBIJFPRWWBCNJ-UHFFFAOYSA-N 1 1 273.420 3.806 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1cnc(Cl)c(F)c1 ZINC001198457841 1122992560 /nfs/dbraw/zinc/99/25/60/1122992560.db2.gz LZYRLABVNSMOHP-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001203315210 1122984486 /nfs/dbraw/zinc/98/44/86/1122984486.db2.gz VDLWIRADTQEACD-LJQANCHMSA-N 1 1 292.382 3.602 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001198280194 1122985660 /nfs/dbraw/zinc/98/56/60/1122985660.db2.gz UDWBQAXQLTUIMZ-HKUYNNGSSA-N 1 1 296.414 3.599 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC001198407325 1122990693 /nfs/dbraw/zinc/99/06/93/1122990693.db2.gz UKAPUCFAHSOXLE-OAHLLOKOSA-N 1 1 297.402 3.976 20 30 CHEDMO C=CCCC[N@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC001198458820 1122992605 /nfs/dbraw/zinc/99/26/05/1122992605.db2.gz XQYRDICRDVTCAU-UHFFFAOYSA-N 1 1 261.796 3.980 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC001198489571 1122994399 /nfs/dbraw/zinc/99/43/99/1122994399.db2.gz BZUOFYCBUNKDSD-CYBMUJFWSA-N 1 1 285.309 3.778 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000472590484 1123008085 /nfs/dbraw/zinc/00/80/85/1123008085.db2.gz NIYUZVWPLPGDMT-WMZOPIPTSA-N 1 1 273.420 3.767 20 30 CHEDMO C=CCCCCC[N@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000441152473 1123061803 /nfs/dbraw/zinc/06/18/03/1123061803.db2.gz JKIZHWUHTFCCJX-UHFFFAOYSA-N 1 1 288.435 3.718 20 30 CHEDMO NC(=[NH+]OCc1csc(C2CC2)n1)C1CCCCCC1 ZINC000178940555 1123123726 /nfs/dbraw/zinc/12/37/26/1123123726.db2.gz GWKVJYGJZVUJBI-UHFFFAOYSA-N 1 1 293.436 3.780 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCc2ccc(F)cc21 ZINC000155228601 1129100424 /nfs/dbraw/zinc/10/04/24/1129100424.db2.gz LFNYLEHTUSULFL-MLGOLLRUSA-N 1 1 260.356 3.685 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCc2ccc(F)cc21 ZINC000155228601 1129100425 /nfs/dbraw/zinc/10/04/25/1129100425.db2.gz LFNYLEHTUSULFL-MLGOLLRUSA-N 1 1 260.356 3.685 20 30 CHEDMO C=CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000441449728 1123128140 /nfs/dbraw/zinc/12/81/40/1123128140.db2.gz OKSDCROYILQYKD-DOTOQJQBSA-N 1 1 259.393 3.723 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001201630996 1123129933 /nfs/dbraw/zinc/12/99/33/1123129933.db2.gz KQSRGWAOVGUJPU-QZTJIDSGSA-N 1 1 299.499 3.582 20 30 CHEDMO CCCCCCCCCCC[N@@H+]1CCn2c(C)nnc2C1 ZINC001201630930 1123130055 /nfs/dbraw/zinc/13/00/55/1123130055.db2.gz IGLFJQUCMSOOGA-UHFFFAOYSA-N 1 1 292.471 3.933 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CCn2c(C)nnc2C1 ZINC001201630930 1123130056 /nfs/dbraw/zinc/13/00/56/1123130056.db2.gz IGLFJQUCMSOOGA-UHFFFAOYSA-N 1 1 292.471 3.933 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(Br)cc1 ZINC000155315643 1129101268 /nfs/dbraw/zinc/10/12/68/1129101268.db2.gz ZFBUUCOHSAFKPT-RYUDHWBXSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(Br)cc1 ZINC000155315643 1129101271 /nfs/dbraw/zinc/10/12/71/1129101271.db2.gz ZFBUUCOHSAFKPT-RYUDHWBXSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(Br)cc1 ZINC000155315742 1129101617 /nfs/dbraw/zinc/10/16/17/1129101617.db2.gz ZFBUUCOHSAFKPT-NEPJUHHUSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(Br)cc1 ZINC000155315742 1129101619 /nfs/dbraw/zinc/10/16/19/1129101619.db2.gz ZFBUUCOHSAFKPT-NEPJUHHUSA-N 1 1 295.224 3.992 20 30 CHEDMO CCCCCCCN1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201798246 1123150636 /nfs/dbraw/zinc/15/06/36/1123150636.db2.gz SBKPXMYVSSSMDF-UHFFFAOYSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@@H](OCC)[C@H]2OCCC[C@H]21 ZINC001201814891 1123151107 /nfs/dbraw/zinc/15/11/07/1123151107.db2.gz SXDFRMLDJXSIQQ-ZACQAIPSSA-N 1 1 283.456 3.615 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001201813692 1123151134 /nfs/dbraw/zinc/15/11/34/1123151134.db2.gz HZFAGOLVTBZRHV-ROUUACIJSA-N 1 1 297.483 3.864 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001201813689 1123151496 /nfs/dbraw/zinc/15/14/96/1123151496.db2.gz HZFAGOLVTBZRHV-MSOLQXFVSA-N 1 1 297.483 3.864 20 30 CHEDMO CCCCCCC[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001201777287 1123151536 /nfs/dbraw/zinc/15/15/36/1123151536.db2.gz VFLHQEQICOSZSB-UHFFFAOYSA-N 1 1 293.455 3.596 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001201852620 1123152232 /nfs/dbraw/zinc/15/22/32/1123152232.db2.gz DWRKRJTXASAJOM-SJORKVTESA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001201852728 1123152501 /nfs/dbraw/zinc/15/25/01/1123152501.db2.gz IGQWXOYFCWHXIZ-IRXDYDNUSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001201852681 1123152525 /nfs/dbraw/zinc/15/25/25/1123152525.db2.gz HCRSXJPHMVJKTQ-CVEARBPZSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001201839489 1123154043 /nfs/dbraw/zinc/15/40/43/1123154043.db2.gz FPNPHFRRYDZODH-MRXNPFEDSA-N 1 1 267.413 3.519 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001201840389 1123155011 /nfs/dbraw/zinc/15/50/11/1123155011.db2.gz ZKDOLRFGIVZIMN-HZPDHXFCSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CCO2)C1 ZINC001201847401 1123156331 /nfs/dbraw/zinc/15/63/31/1123156331.db2.gz VRLGPBNFHLUBRK-INIZCTEOSA-N 1 1 253.430 3.992 20 30 CHEDMO C#CC[N@@H+](CC1CCCC1)[C@@H]1CCc2ccccc21 ZINC001202167373 1123180692 /nfs/dbraw/zinc/18/06/92/1123180692.db2.gz XFXAJFSSMVBPBT-GOSISDBHSA-N 1 1 253.389 3.799 20 30 CHEDMO N#CCC[N@@H+](CCCC(F)(F)F)Cc1ccccc1 ZINC001202368547 1123203596 /nfs/dbraw/zinc/20/35/96/1123203596.db2.gz PCBRQZKOEQZYFO-UHFFFAOYSA-N 1 1 270.298 3.745 20 30 CHEDMO N#CCC[N@H+](CCCC(F)(F)F)Cc1ccccc1 ZINC001202368547 1123203598 /nfs/dbraw/zinc/20/35/98/1123203598.db2.gz PCBRQZKOEQZYFO-UHFFFAOYSA-N 1 1 270.298 3.745 20 30 CHEDMO FC[C@@]1(C(F)(F)F)CC[N@@H+](CCCC(F)(F)F)C1 ZINC001202377882 1123204355 /nfs/dbraw/zinc/20/43/55/1123204355.db2.gz PEHUSEACBDHLDP-QMMMGPOBSA-N 1 1 281.215 3.553 20 30 CHEDMO CCCCCCCC[C@@H](O)CN1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001252134654 1123227704 /nfs/dbraw/zinc/22/77/04/1123227704.db2.gz YOEZLTLUSYBPMH-QZTJIDSGSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001252134654 1123227708 /nfs/dbraw/zinc/22/77/08/1123227708.db2.gz YOEZLTLUSYBPMH-QZTJIDSGSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001252134654 1123227713 /nfs/dbraw/zinc/22/77/13/1123227713.db2.gz YOEZLTLUSYBPMH-QZTJIDSGSA-N 1 1 298.515 3.512 20 30 CHEDMO CC(C)c1[nH+]ccn1Cc1cc(Cl)ccc1OCC#N ZINC000779772360 1129107980 /nfs/dbraw/zinc/10/79/80/1129107980.db2.gz GZWONEHDRYIMKO-UHFFFAOYSA-N 1 1 289.766 3.611 20 30 CHEDMO CC(C)c1ncc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000850390604 1123262015 /nfs/dbraw/zinc/26/20/15/1123262015.db2.gz KUNINXWIEQEYLK-UHFFFAOYSA-N 1 1 277.437 3.830 20 30 CHEDMO C=CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000850501925 1123274932 /nfs/dbraw/zinc/27/49/32/1123274932.db2.gz HTOPAIYPKPBHBE-VIFPVBQESA-N 1 1 259.271 3.638 20 30 CHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428229458 1123284558 /nfs/dbraw/zinc/28/45/58/1123284558.db2.gz FTFYSOJQVVDNKG-STQMWFEESA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000109378158 1123287319 /nfs/dbraw/zinc/28/73/19/1123287319.db2.gz XQRMKNROEXLOTM-GFCCVEGCSA-N 1 1 285.778 3.800 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)ccc1C#N ZINC000442808639 1123341092 /nfs/dbraw/zinc/34/10/92/1123341092.db2.gz ICKXFFUVRUNOCY-SFHVURJKSA-N 1 1 292.382 3.904 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442887733 1123348135 /nfs/dbraw/zinc/34/81/35/1123348135.db2.gz BFHASPNAWCXSCM-AWEZNQCLSA-N 1 1 272.392 3.579 20 30 CHEDMO COC1(CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CCC1 ZINC000338936516 1123356528 /nfs/dbraw/zinc/35/65/28/1123356528.db2.gz OTHQNGLDCBKEKR-UHFFFAOYSA-N 1 1 286.419 3.728 20 30 CHEDMO C=CC[N@@H+](CCOC(F)F)Cc1ccc(Cl)s1 ZINC000851714220 1123373438 /nfs/dbraw/zinc/37/34/38/1123373438.db2.gz OJOGBQOQSXZZPT-UHFFFAOYSA-N 1 1 281.755 3.629 20 30 CHEDMO C=CC[N@H+](CCOC(F)F)Cc1ccc(Cl)s1 ZINC000851714220 1123373441 /nfs/dbraw/zinc/37/34/41/1123373441.db2.gz OJOGBQOQSXZZPT-UHFFFAOYSA-N 1 1 281.755 3.629 20 30 CHEDMO CSc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000851778384 1123378842 /nfs/dbraw/zinc/37/88/42/1123378842.db2.gz IOBVDTLMMBGCDV-UHFFFAOYSA-N 1 1 262.422 3.780 20 30 CHEDMO CSc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000851778384 1123378844 /nfs/dbraw/zinc/37/88/44/1123378844.db2.gz IOBVDTLMMBGCDV-UHFFFAOYSA-N 1 1 262.422 3.780 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000852098756 1123396645 /nfs/dbraw/zinc/39/66/45/1123396645.db2.gz VEXNGODDYKYROX-INIZCTEOSA-N 1 1 288.778 3.887 20 30 CHEDMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333820 1123403088 /nfs/dbraw/zinc/40/30/88/1123403088.db2.gz WCEPFRDLWYZQHF-AEFFLSMTSA-N 1 1 285.435 3.621 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)cc1Cl ZINC000852686937 1123412940 /nfs/dbraw/zinc/41/29/40/1123412940.db2.gz CDOMODPDBUFOBK-DVOMOZLQSA-N 1 1 295.785 3.696 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)CCCO2 ZINC000852781411 1123415201 /nfs/dbraw/zinc/41/52/01/1123415201.db2.gz PQRQRRYFDARKLC-CQSZACIVSA-N 1 1 292.382 3.734 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCn3c(cc4ccccc43)C2)C1 ZINC000335815655 1123436078 /nfs/dbraw/zinc/43/60/78/1123436078.db2.gz FJNMMUCLTVATBM-GDBMZVCRSA-N 1 1 279.387 3.539 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCn3c(cc4ccccc43)C2)C1 ZINC000335815655 1123436082 /nfs/dbraw/zinc/43/60/82/1123436082.db2.gz FJNMMUCLTVATBM-GDBMZVCRSA-N 1 1 279.387 3.539 20 30 CHEDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C(C)C ZINC000853526754 1123442776 /nfs/dbraw/zinc/44/27/76/1123442776.db2.gz YHUQFHFXWMMLPA-HNNXBMFYSA-N 1 1 286.419 3.950 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000729543250 1123486851 /nfs/dbraw/zinc/48/68/51/1123486851.db2.gz JFVDSXUUNCXPNP-UHFFFAOYSA-N 1 1 271.738 3.897 20 30 CHEDMO C(=NNc1cc[nH+]cc1)c1ccccc1-c1ccccc1 ZINC000779810228 1129126666 /nfs/dbraw/zinc/12/66/66/1129126666.db2.gz ZPASXJYRIJTEIP-UHFFFAOYSA-N 1 1 273.339 3.617 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cs1 ZINC000895823170 1123517946 /nfs/dbraw/zinc/51/79/46/1123517946.db2.gz OZKDLAUTOXVJKC-OAHLLOKOSA-N 1 1 290.432 3.543 20 30 CHEDMO Cc1csc(C[C@@H]2CCC[N@H+](C[C@H](C)CCC#N)C2)n1 ZINC000895823784 1123518298 /nfs/dbraw/zinc/51/82/98/1123518298.db2.gz SCHCPYUHXLZMQM-HIFRSBDPSA-N 1 1 291.464 3.646 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1cccc(Cl)c1Cl ZINC000779809217 1129127164 /nfs/dbraw/zinc/12/71/64/1129127164.db2.gz MVXSWTKRHOPGLS-UHFFFAOYSA-N 1 1 280.158 3.646 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776875856 1123547680 /nfs/dbraw/zinc/54/76/80/1123547680.db2.gz AVSITVHRSAKXLP-INIZCTEOSA-N 1 1 278.444 3.666 20 30 CHEDMO N#Cc1ccc(Br)cc1C[NH+]1CCCCCC1 ZINC001141895013 1123588380 /nfs/dbraw/zinc/58/83/80/1123588380.db2.gz YATBFJMNUSBTMD-UHFFFAOYSA-N 1 1 293.208 3.697 20 30 CHEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CCOCCC#N)o1 ZINC000339004286 1123597382 /nfs/dbraw/zinc/59/73/82/1123597382.db2.gz VBJSWOHCDYGAQS-INIZCTEOSA-N 1 1 290.407 3.689 20 30 CHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CCC(C#N)CC1 ZINC000329361315 1123609012 /nfs/dbraw/zinc/60/90/12/1123609012.db2.gz YJRJBDFOSAXHIB-UYSNPLJNSA-N 1 1 291.439 3.537 20 30 CHEDMO COc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000428311751 1123646603 /nfs/dbraw/zinc/64/66/03/1123646603.db2.gz SYMWRCRCDBHQIT-LBPRGKRZSA-N 1 1 284.334 3.557 20 30 CHEDMO C=C1CC(c2noc([C@H](c3ccccc3)[NH+](CC)CC)n2)C1 ZINC000896876124 1123653321 /nfs/dbraw/zinc/65/33/21/1123653321.db2.gz CPDORUSMOIJQLJ-INIZCTEOSA-N 1 1 297.402 3.934 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000346204210 1123672260 /nfs/dbraw/zinc/67/22/60/1123672260.db2.gz ZEPYJSDBIMPWQT-UHFFFAOYSA-N 1 1 280.346 3.646 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCc2ccccc2C1 ZINC000346204210 1123672261 /nfs/dbraw/zinc/67/22/61/1123672261.db2.gz ZEPYJSDBIMPWQT-UHFFFAOYSA-N 1 1 280.346 3.646 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(F)c1 ZINC000859075225 1123682734 /nfs/dbraw/zinc/68/27/34/1123682734.db2.gz OKOUYVSKQRNRGI-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000859444297 1123698252 /nfs/dbraw/zinc/69/82/52/1123698252.db2.gz JJBHJNXLHBPUJT-ZDUSSCGKSA-N 1 1 290.794 3.640 20 30 CHEDMO CCC[N@H+](CCCC#N)Cc1c(F)cccc1Cl ZINC000346660173 1123705370 /nfs/dbraw/zinc/70/53/70/1123705370.db2.gz UBJXYAKIWGOZRO-UHFFFAOYSA-N 1 1 268.763 3.995 20 30 CHEDMO CCC[N@@H+](CCCC#N)Cc1c(F)cccc1Cl ZINC000346660173 1123705372 /nfs/dbraw/zinc/70/53/72/1123705372.db2.gz UBJXYAKIWGOZRO-UHFFFAOYSA-N 1 1 268.763 3.995 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926422 1123715789 /nfs/dbraw/zinc/71/57/89/1123715789.db2.gz HCPOFUOEZKTUEG-YESZJQIVSA-N 1 1 268.404 3.662 20 30 CHEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000860181075 1123724318 /nfs/dbraw/zinc/72/43/18/1123724318.db2.gz WRUXDRJKKZRHRN-WOMSROEHSA-N 1 1 284.403 3.767 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000195409067 1129145106 /nfs/dbraw/zinc/14/51/06/1129145106.db2.gz OWLQNKPXTZGSPQ-UHFFFAOYSA-N 1 1 272.779 3.923 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000195409067 1129145108 /nfs/dbraw/zinc/14/51/08/1129145108.db2.gz OWLQNKPXTZGSPQ-UHFFFAOYSA-N 1 1 272.779 3.923 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000862442161 1123809634 /nfs/dbraw/zinc/80/96/34/1123809634.db2.gz YDBJTNUDKFCATE-LBPRGKRZSA-N 1 1 250.411 3.665 20 30 CHEDMO CCCCCCCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000195621191 1129147843 /nfs/dbraw/zinc/14/78/43/1129147843.db2.gz MYLLUOZBQRXUMJ-CVEARBPZSA-N 1 1 282.472 3.584 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000186292154 1123831481 /nfs/dbraw/zinc/83/14/81/1123831481.db2.gz XCLRHRPHQRNHFE-AWEZNQCLSA-N 1 1 280.371 3.765 20 30 CHEDMO C[N@H+]1CCC(N=Nc2cccc3ncccc23)CC1(C)C ZINC000863078789 1123842626 /nfs/dbraw/zinc/84/26/26/1123842626.db2.gz MOKYBTPKDKWFIT-UHFFFAOYSA-N 1 1 282.391 3.507 20 30 CHEDMO CC([NH2+]Nc1ccnc(C(F)(F)F)c1)=C1CC1(F)F ZINC000863179581 1123850434 /nfs/dbraw/zinc/85/04/34/1123850434.db2.gz YSYNZNQFQKMMDM-MRVPVSSYSA-N 1 1 279.212 3.543 20 30 CHEDMO C=CCC[C@@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC001252591589 1123928942 /nfs/dbraw/zinc/92/89/42/1123928942.db2.gz XEZDVXBTPBXRNA-GFCCVEGCSA-N 1 1 276.767 3.627 20 30 CHEDMO CCOc1cc2[nH+]ccc(NC[C@H](C)C#N)c2cc1OCC ZINC000302056962 1123952161 /nfs/dbraw/zinc/95/21/61/1123952161.db2.gz RCHVFELOGZGPQQ-GFCCVEGCSA-N 1 1 299.374 3.604 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000158929601 1129155845 /nfs/dbraw/zinc/15/58/45/1129155845.db2.gz VEMLSBHYGDOZEK-OAHLLOKOSA-N 1 1 272.392 3.744 20 30 CHEDMO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000865814543 1124016748 /nfs/dbraw/zinc/01/67/48/1124016748.db2.gz KEXRDEXKEHDNEX-UHFFFAOYSA-N 1 1 286.350 3.878 20 30 CHEDMO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120788447 1124023578 /nfs/dbraw/zinc/02/35/78/1124023578.db2.gz CHJMHIBMHIJOLD-IRXDYDNUSA-N 1 1 296.499 3.926 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1cccc(C#N)c1O ZINC000866237210 1124039657 /nfs/dbraw/zinc/03/96/57/1124039657.db2.gz GIEXRXWXZAHKBW-WQGACYEGSA-N 1 1 296.370 3.831 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(C#N)c1O ZINC000866237208 1124039739 /nfs/dbraw/zinc/03/97/39/1124039739.db2.gz GIEXRXWXZAHKBW-MQIPJXDCSA-N 1 1 296.370 3.831 20 30 CHEDMO CCc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000444588376 1124044630 /nfs/dbraw/zinc/04/46/30/1124044630.db2.gz DYMFYZRVBBYSGX-UHFFFAOYSA-N 1 1 278.399 3.795 20 30 CHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000444656365 1124048173 /nfs/dbraw/zinc/04/81/73/1124048173.db2.gz FAMJIAZDKPQFRO-YOEHRIQHSA-N 1 1 259.368 3.688 20 30 CHEDMO C=CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000428374595 1124051261 /nfs/dbraw/zinc/05/12/61/1124051261.db2.gz NZGOJWGCBRADJO-UHFFFAOYSA-N 1 1 283.419 3.788 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1c(C)noc1C ZINC000866313337 1124051297 /nfs/dbraw/zinc/05/12/97/1124051297.db2.gz ZKWMRVFBWVSVKU-ZUZCIYMTSA-N 1 1 299.374 3.671 20 30 CHEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000428374595 1124051265 /nfs/dbraw/zinc/05/12/65/1124051265.db2.gz NZGOJWGCBRADJO-UHFFFAOYSA-N 1 1 283.419 3.788 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000444681170 1124053253 /nfs/dbraw/zinc/05/32/53/1124053253.db2.gz YOFZSXWIVZRSQS-CZUORRHYSA-N 1 1 272.392 3.577 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000444691134 1124053880 /nfs/dbraw/zinc/05/38/80/1124053880.db2.gz XCZATRZNVKQMHT-KRWDZBQOSA-N 1 1 292.467 3.988 20 30 CHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000444701403 1124055413 /nfs/dbraw/zinc/05/54/13/1124055413.db2.gz GQBNOIZLZXSRJF-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO Cc1cc(C)cc(C[N@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000444701403 1124055419 /nfs/dbraw/zinc/05/54/19/1124055419.db2.gz GQBNOIZLZXSRJF-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccoc2C(=O)OC)CCCC1(C)C ZINC000444791937 1124065527 /nfs/dbraw/zinc/06/55/27/1124065527.db2.gz NTGBTYDQOYAERX-CQSZACIVSA-N 1 1 291.391 3.633 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000475624851 1124077344 /nfs/dbraw/zinc/07/73/44/1124077344.db2.gz NKIPVRNPORRYOG-LBPRGKRZSA-N 1 1 262.422 3.878 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1F ZINC000403978004 1124078150 /nfs/dbraw/zinc/07/81/50/1124078150.db2.gz DYYAXQVOLYCHIO-RHSMWYFYSA-N 1 1 272.367 3.852 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000359575140 1124120074 /nfs/dbraw/zinc/12/00/74/1124120074.db2.gz CAZFMHGZNAZKIJ-LLVKDONJSA-N 1 1 264.319 3.748 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000359575140 1124120076 /nfs/dbraw/zinc/12/00/76/1124120076.db2.gz CAZFMHGZNAZKIJ-LLVKDONJSA-N 1 1 264.319 3.748 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000428461917 1124129105 /nfs/dbraw/zinc/12/91/05/1124129105.db2.gz 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C[N@H+](CCc1cccc(C#N)c1)Cc1ncc(C(C)(C)C)o1 ZINC000879434491 1125214279 /nfs/dbraw/zinc/21/42/79/1125214279.db2.gz KBBFVLMWBJKWKV-UHFFFAOYSA-N 1 1 297.402 3.518 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ncc(C(C)(C)C)o1 ZINC000879434491 1125214284 /nfs/dbraw/zinc/21/42/84/1125214284.db2.gz KBBFVLMWBJKWKV-UHFFFAOYSA-N 1 1 297.402 3.518 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879480539 1125217181 /nfs/dbraw/zinc/21/71/81/1125217181.db2.gz WYKYEUYDVZDELV-HOCLYGCPSA-N 1 1 260.356 3.639 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)c1 ZINC000879750040 1125229668 /nfs/dbraw/zinc/22/96/68/1125229668.db2.gz MAAOOUJTXRAPAJ-MRXNPFEDSA-N 1 1 271.408 3.857 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1[nH]nc2c1cccc2C ZINC001137149327 1125246623 /nfs/dbraw/zinc/24/66/23/1125246623.db2.gz OSOOWQCLOWGYNM-UHFFFAOYSA-N 1 1 257.381 3.659 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320773 1125265677 /nfs/dbraw/zinc/26/56/77/1125265677.db2.gz 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ZINC001138665519 1131534008 /nfs/dbraw/zinc/53/40/08/1131534008.db2.gz ODHSCBJZQNQTOD-INIZCTEOSA-N 1 1 284.403 3.767 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001138664932 1131534237 /nfs/dbraw/zinc/53/42/37/1131534237.db2.gz AVTNERQOPRKUOJ-GOEBONIOSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143809791 1131536208 /nfs/dbraw/zinc/53/62/08/1131536208.db2.gz CKCXHZNKKAGBOY-UHFFFAOYSA-N 1 1 263.690 3.977 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(F)c1F ZINC001143915373 1131553924 /nfs/dbraw/zinc/55/39/24/1131553924.db2.gz FZWOFXOJYOJOIE-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138834203 1131555161 /nfs/dbraw/zinc/55/51/61/1131555161.db2.gz WTKCPBBJYXDXBG-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(C)C)C1 ZINC001138958407 1131565428 /nfs/dbraw/zinc/56/54/28/1131565428.db2.gz DCOHWBXOKACMSK-CQSZACIVSA-N 1 1 291.822 3.972 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(C)C)C1 ZINC001138958407 1131565431 /nfs/dbraw/zinc/56/54/31/1131565431.db2.gz DCOHWBXOKACMSK-CQSZACIVSA-N 1 1 291.822 3.972 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001139029718 1131574795 /nfs/dbraw/zinc/57/47/95/1131574795.db2.gz IPDGXNXFZYBQND-ZDUSSCGKSA-N 1 1 285.309 3.636 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cccc(C)c12 ZINC001139197517 1131595449 /nfs/dbraw/zinc/59/54/49/1131595449.db2.gz QOHAUQALRSYKFY-UHFFFAOYSA-N 1 1 269.392 3.992 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cccc(C)c12 ZINC001139197517 1131595453 /nfs/dbraw/zinc/59/54/53/1131595453.db2.gz QOHAUQALRSYKFY-UHFFFAOYSA-N 1 1 269.392 3.992 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2nonc2c1)C1CCCCC1 ZINC001139223781 1131598609 /nfs/dbraw/zinc/59/86/09/1131598609.db2.gz ZTFCPPJVEPTURU-UHFFFAOYSA-N 1 1 271.364 3.544 20 30 CHEDMO CC[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC001139425032 1131608753 /nfs/dbraw/zinc/60/87/53/1131608753.db2.gz YEYTVZAIIOBXCG-UHFFFAOYSA-N 1 1 293.370 3.730 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(=O)[nH]c1 ZINC001139466382 1131609448 /nfs/dbraw/zinc/60/94/48/1131609448.db2.gz KPPGCOJDIGRQLV-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1F ZINC001139530928 1131613321 /nfs/dbraw/zinc/61/33/21/1131613321.db2.gz XJQYNMDETZYYKM-IYBDPMFKSA-N 1 1 292.357 3.784 20 30 CHEDMO CCc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001144318513 1131617197 /nfs/dbraw/zinc/61/71/97/1131617197.db2.gz APGCITIFTVOBCU-UHFFFAOYSA-N 1 1 276.383 3.679 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnccc1OCC ZINC001139631382 1131625038 /nfs/dbraw/zinc/62/50/38/1131625038.db2.gz WTTAKIXIZRXOPT-UHFFFAOYSA-N 1 1 264.413 3.883 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2cccnc2)cc1 ZINC001139646962 1131626929 /nfs/dbraw/zinc/62/69/29/1131626929.db2.gz JVYZUCAEYULAPA-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2cccnc2)cc1 ZINC001139646962 1131626931 /nfs/dbraw/zinc/62/69/31/1131626931.db2.gz JVYZUCAEYULAPA-UHFFFAOYSA-N 1 1 279.387 3.874 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139702951 1131629746 /nfs/dbraw/zinc/62/97/46/1131629746.db2.gz DOWJAKFZRJKHRZ-QWHCGFSZSA-N 1 1 267.376 3.660 20 30 CHEDMO CCC[N@H+](Cc1c[nH]c2c1cccc2C#N)CC1CC1 ZINC001139701518 1131629775 /nfs/dbraw/zinc/62/97/75/1131629775.db2.gz IDJXQTBFQUMTOC-UHFFFAOYSA-N 1 1 267.376 3.662 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139701433 1131629881 /nfs/dbraw/zinc/62/98/81/1131629881.db2.gz HSMHEJBUDANIDK-UHFFFAOYSA-N 1 1 275.355 3.672 20 30 CHEDMO N#Cc1cccc2c(C[N@H+]3CC[C@H]4CCC[C@H]4C3)c[nH]c21 ZINC001139704608 1131629988 /nfs/dbraw/zinc/62/99/88/1131629988.db2.gz WUUHLQVRTFEUEO-HIFRSBDPSA-N 1 1 279.387 3.662 20 30 CHEDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1C#N ZINC001139725863 1131632176 /nfs/dbraw/zinc/63/21/76/1131632176.db2.gz HKRHXHDWWZUUHC-HDICACEKSA-N 1 1 288.394 3.953 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)cc1C#N ZINC001139729044 1131633429 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ZINC001144578866 1131660791 /nfs/dbraw/zinc/66/07/91/1131660791.db2.gz RVAQNYLWMQWEAI-UHFFFAOYSA-N 1 1 267.347 3.829 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)cc1 ZINC001144578431 1131661069 /nfs/dbraw/zinc/66/10/69/1131661069.db2.gz CDNGENKIDLQDPR-INIZCTEOSA-N 1 1 293.410 3.740 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001171202518 1131670238 /nfs/dbraw/zinc/67/02/38/1131670238.db2.gz CQVMGHCMXMOZNR-HNAYVOBHSA-N 1 1 291.398 3.721 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC001144637082 1131672753 /nfs/dbraw/zinc/67/27/53/1131672753.db2.gz HNFWCGJUXOOILQ-UHFFFAOYSA-N 1 1 288.439 3.761 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001171209571 1131685236 /nfs/dbraw/zinc/68/52/36/1131685236.db2.gz KTMAJGVDBLKNHD-WFASDCNBSA-N 1 1 296.336 3.558 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001171211352 1131685818 /nfs/dbraw/zinc/68/58/18/1131685818.db2.gz YWFBTGSRJZDOFT-JLSDUUJJSA-N 1 1 268.404 3.611 20 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ZCJVTKNMUBDMOL-BEFAXECRSA-N 1 1 291.398 3.721 20 30 CHEDMO C=CCCCCCCCCC(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001144798747 1131708904 /nfs/dbraw/zinc/70/89/04/1131708904.db2.gz DSWUKSXZRXAEPT-SFHVURJKSA-N 1 1 294.483 3.894 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1nccs1 ZINC001171225030 1131710288 /nfs/dbraw/zinc/71/02/88/1131710288.db2.gz XCVBMBJUHLPGOJ-BBRMVZONSA-N 1 1 297.427 3.783 20 30 CHEDMO CCCCCCCCC/C=C\C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001144808426 1131710426 /nfs/dbraw/zinc/71/04/26/1131710426.db2.gz VOTIQHQJEVILJF-IFCKCIONSA-N 1 1 294.483 3.894 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453857 1131744693 /nfs/dbraw/zinc/74/46/93/1131744693.db2.gz OAACNUZBBGLNRU-AWEZNQCLSA-N 1 1 297.427 3.936 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000847025064 1131771922 /nfs/dbraw/zinc/77/19/22/1131771922.db2.gz BIFOGMDYRBIQGR-CYBMUJFWSA-N 1 1 286.400 3.557 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000847025064 1131771925 /nfs/dbraw/zinc/77/19/25/1131771925.db2.gz BIFOGMDYRBIQGR-CYBMUJFWSA-N 1 1 286.400 3.557 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000847018450 1131773049 /nfs/dbraw/zinc/77/30/49/1131773049.db2.gz JUMCCZPRGDKTSH-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO CCCCCCC[C@H](C)N1CCC[C@]12CC[NH2+]C2 ZINC001246648117 1131775588 /nfs/dbraw/zinc/77/55/88/1131775588.db2.gz KWIWIKCJAZTEJU-JKSUJKDBSA-N 1 1 252.446 3.563 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNC2(CC2)C1 ZINC001246831201 1131787851 /nfs/dbraw/zinc/78/78/51/1131787851.db2.gz BVWLQVCOPWAQSL-OAHLLOKOSA-N 1 1 252.446 3.563 20 30 CHEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC001146516680 1131790965 /nfs/dbraw/zinc/79/09/65/1131790965.db2.gz ICIKRHMFXRLYAK-IAGOWNOFSA-N 1 1 296.499 3.926 20 30 CHEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC001146516680 1131790973 /nfs/dbraw/zinc/79/09/73/1131790973.db2.gz ICIKRHMFXRLYAK-IAGOWNOFSA-N 1 1 296.499 3.926 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001171299441 1131814293 /nfs/dbraw/zinc/81/42/93/1131814293.db2.gz ZEMFUTDRDLOKDD-JKSUJKDBSA-N 1 1 271.408 3.600 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)C1C[C@@H]2COC[C@H](C1)N2 ZINC001246938525 1131823291 /nfs/dbraw/zinc/82/32/91/1131823291.db2.gz NFNHXAQPNSWZMZ-JWTNVVGKSA-N 1 1 296.499 3.578 20 30 CHEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1Cl)C1CCOCC1 ZINC001140603688 1131823448 /nfs/dbraw/zinc/82/34/48/1131823448.db2.gz YVFFRZSYGHQRNV-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140602829 1131823831 /nfs/dbraw/zinc/82/38/31/1131823831.db2.gz QTLAQKCOHFCXOI-CQSZACIVSA-N 1 1 262.784 3.976 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3ccncc31)C2 ZINC001140640319 1131842168 /nfs/dbraw/zinc/84/21/68/1131842168.db2.gz LBJKXCDBIVPQIF-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2ncn(C)c2c1 ZINC001140738588 1131904471 /nfs/dbraw/zinc/90/44/71/1131904471.db2.gz HSQZJSOMDWWODA-UHFFFAOYSA-N 1 1 291.398 3.762 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CCC3(C2)CCCCC3)cc1F ZINC001140755463 1131907336 /nfs/dbraw/zinc/90/73/36/1131907336.db2.gz GUVRRASSIXMOPT-UHFFFAOYSA-N 1 1 290.357 3.993 20 30 CHEDMO C[N@H+](Cc1cccs1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754377 1131908389 /nfs/dbraw/zinc/90/83/89/1131908389.db2.gz XPDYZPJAUGCGCE-UHFFFAOYSA-N 1 1 278.327 3.530 20 30 CHEDMO C[N@@H+](Cc1cccs1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754377 1131908394 /nfs/dbraw/zinc/90/83/94/1131908394.db2.gz XPDYZPJAUGCGCE-UHFFFAOYSA-N 1 1 278.327 3.530 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000773004253 1131915504 /nfs/dbraw/zinc/91/55/04/1131915504.db2.gz JHDKRBPYVTWJJS-ZDUSSCGKSA-N 1 1 253.773 3.797 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000773029269 1131923890 /nfs/dbraw/zinc/92/38/90/1131923890.db2.gz WNXLEQHBJPYIAO-QGZVFWFLSA-N 1 1 296.345 3.701 20 30 CHEDMO CCC[N@H+](Cc1cccc(C#N)c1Cl)CC1CC1 ZINC001140806859 1131928975 /nfs/dbraw/zinc/92/89/75/1131928975.db2.gz UYUBVUODONGQNS-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1Cl ZINC001140810317 1131932063 /nfs/dbraw/zinc/93/20/63/1131932063.db2.gz AMJISBCMQTXYEO-OAHLLOKOSA-N 1 1 297.789 3.596 20 30 CHEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140810020 1131932098 /nfs/dbraw/zinc/93/20/98/1131932098.db2.gz QYNXILXXANFCAH-CQSZACIVSA-N 1 1 292.810 3.601 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141027242 1131986836 /nfs/dbraw/zinc/98/68/36/1131986836.db2.gz RSHIIJRNOIXTNO-UHFFFAOYSA-N 1 1 295.423 3.812 20 30 CHEDMO CCC[N@@H+](Cc1sc(N)c(C#N)c1Cl)[C@@H](C)CC ZINC001141109542 1132020710 /nfs/dbraw/zinc/02/07/10/1132020710.db2.gz TXMXJDREEUFMQQ-VIFPVBQESA-N 1 1 285.844 3.866 20 30 CHEDMO CC[NH+]1CC(Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229353487 1132056343 /nfs/dbraw/zinc/05/63/43/1132056343.db2.gz MVXCYUDKIUHUAU-RGVLZGJSSA-N 1 1 298.361 3.659 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC001171571868 1132058283 /nfs/dbraw/zinc/05/82/83/1132058283.db2.gz CPCIQTDTHHHKPE-QWHCGFSZSA-N 1 1 292.220 3.855 20 30 CHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001171678029 1132075754 /nfs/dbraw/zinc/07/57/54/1132075754.db2.gz AQMADYSXIOHBQV-WBVHZDCISA-N 1 1 256.393 3.552 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141317075 1132079821 /nfs/dbraw/zinc/07/98/21/1132079821.db2.gz IWBPWKKISJHNPA-UHFFFAOYSA-N 1 1 269.319 3.683 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001171750253 1132087550 /nfs/dbraw/zinc/08/75/50/1132087550.db2.gz CVPYKOWJMGJIIU-QGZVFWFLSA-N 1 1 284.403 3.592 20 30 CHEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001171771603 1132092947 /nfs/dbraw/zinc/09/29/47/1132092947.db2.gz HIUVEZHSPJYOLP-LJQANCHMSA-N 1 1 294.373 3.861 20 30 CHEDMO C=C1CC=C(F)C=C1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171735473 1132098743 /nfs/dbraw/zinc/09/87/43/1132098743.db2.gz WLCFLNRTAYNGNT-MAUKXSAKSA-N 1 1 298.405 3.936 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C)c(Cl)n2)C1 ZINC001171847691 1132106518 /nfs/dbraw/zinc/10/65/18/1132106518.db2.gz PSUOGRHCKMHUKK-ZDUSSCGKSA-N 1 1 264.800 3.832 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC001171841079 1132106902 /nfs/dbraw/zinc/10/69/02/1132106902.db2.gz JORAORUYJKDIRN-CZUORRHYSA-N 1 1 279.811 3.662 20 30 CHEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001171975235 1132117068 /nfs/dbraw/zinc/11/70/68/1132117068.db2.gz WTZSOGGVPGPZGF-JSGCOSHPSA-N 1 1 296.336 3.872 20 30 CHEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001171975235 1132117073 /nfs/dbraw/zinc/11/70/73/1132117073.db2.gz WTZSOGGVPGPZGF-JSGCOSHPSA-N 1 1 296.336 3.872 20 30 CHEDMO C#CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172064900 1132126299 /nfs/dbraw/zinc/12/62/99/1132126299.db2.gz ILAKGWIQEHUJBU-ACDBMABISA-N 1 1 296.458 3.575 20 30 CHEDMO CCCCCCCCCNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001141464385 1132135903 /nfs/dbraw/zinc/13/59/03/1132135903.db2.gz VRWNFKVGXOFQGD-QGZVFWFLSA-N 1 1 296.499 3.974 20 30 CHEDMO C=CC[N@@H+]([C@@H]1CSc2ccccc2C1)C(C)(C)C ZINC001172209528 1132140823 /nfs/dbraw/zinc/14/08/23/1132140823.db2.gz RCYNKSMCZSPZLZ-AWEZNQCLSA-N 1 1 261.434 3.990 20 30 CHEDMO CCCC[N@H+](CCC#N)[C@H]1CSc2ccccc2C1 ZINC001172200894 1132148240 /nfs/dbraw/zinc/14/82/40/1132148240.db2.gz DVYKGIJWHPNKSY-OAHLLOKOSA-N 1 1 274.433 3.719 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H]1CSc2ccccc2C1 ZINC001172200894 1132148243 /nfs/dbraw/zinc/14/82/43/1132148243.db2.gz DVYKGIJWHPNKSY-OAHLLOKOSA-N 1 1 274.433 3.719 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001172305237 1132154177 /nfs/dbraw/zinc/15/41/77/1132154177.db2.gz CLDHAEALGIAGBG-HNAYVOBHSA-N 1 1 291.398 3.721 20 30 CHEDMO Cc1ccc(CC[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172317071 1132157410 /nfs/dbraw/zinc/15/74/10/1132157410.db2.gz ASDMSCYDECGEHR-QGZVFWFLSA-N 1 1 292.426 3.972 20 30 CHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172321100 1132158995 /nfs/dbraw/zinc/15/89/95/1132158995.db2.gz YWBYCKIHUBGRBV-GJZGRUSLSA-N 1 1 256.393 3.611 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H](CC)C(=O)OC ZINC001172347501 1132180263 /nfs/dbraw/zinc/18/02/63/1132180263.db2.gz WCKBORGDDDQBPZ-KGLIPLIRSA-N 1 1 257.418 3.667 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+]CC(=O)OC(C)C ZINC001172347680 1132180463 /nfs/dbraw/zinc/18/04/63/1132180463.db2.gz XPNIXGQMXICPEB-CQSZACIVSA-N 1 1 257.418 3.667 20 30 CHEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138622 1132183201 /nfs/dbraw/zinc/18/32/01/1132183201.db2.gz SFFDLKAMLLTYIZ-OAHLLOKOSA-N 1 1 287.794 3.767 20 30 CHEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138622 1132183205 /nfs/dbraw/zinc/18/32/05/1132183205.db2.gz SFFDLKAMLLTYIZ-OAHLLOKOSA-N 1 1 287.794 3.767 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839127804 1132183652 /nfs/dbraw/zinc/18/36/52/1132183652.db2.gz YMGLXGKMZQHMNK-NVXWUHKLSA-N 1 1 284.403 3.532 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172353730 1132184092 /nfs/dbraw/zinc/18/40/92/1132184092.db2.gz AXWHNONQNUXTJD-BRWVUGGUSA-N 1 1 294.483 3.821 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2ncncc2C1 ZINC001172354317 1132184267 /nfs/dbraw/zinc/18/42/67/1132184267.db2.gz GILGMVODQVVMFT-INIZCTEOSA-N 1 1 275.440 3.974 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@H](O)CC1 ZINC001172355317 1132184421 /nfs/dbraw/zinc/18/44/21/1132184421.db2.gz AWYWTZKTYABJHO-HOTGVXAUSA-N 1 1 255.446 3.972 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@](F)(CO)C1 ZINC001172359348 1132186913 /nfs/dbraw/zinc/18/69/13/1132186913.db2.gz VYEPANGKUGWSFO-HUUCEWRRSA-N 1 1 259.409 3.532 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+](C)Cc1cnn(C)c1 ZINC001172359292 1132187309 /nfs/dbraw/zinc/18/73/09/1132187309.db2.gz UZZJVYGDAVJSBD-INIZCTEOSA-N 1 1 265.445 3.991 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001172359678 1132188191 /nfs/dbraw/zinc/18/81/91/1132188191.db2.gz ZQHNUEQQXWPTNX-DLBZAZTESA-N 1 1 283.456 3.617 20 30 CHEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](CC)CC(C)C ZINC001172387987 1132213394 /nfs/dbraw/zinc/21/33/94/1132213394.db2.gz AKFBCFTXILYBAE-GJZGRUSLSA-N 1 1 269.429 3.545 20 30 CHEDMO C=CCc1cccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001231015998 1132241921 /nfs/dbraw/zinc/24/19/21/1132241921.db2.gz WDJHHEYGFNFJDQ-QGZVFWFLSA-N 1 1 259.393 3.667 20 30 CHEDMO Cc1cc(C[N@H+](C)CC(C)(C)C#N)c(O)c(C(C)(C)C)c1 ZINC000840075340 1132245845 /nfs/dbraw/zinc/24/58/45/1132245845.db2.gz ZQULELKNAGUQIT-UHFFFAOYSA-N 1 1 288.435 3.980 20 30 CHEDMO CC(C)P(CC[NH2+][C@@H](C)CCCC#N)C(C)C ZINC001172491258 1132246986 /nfs/dbraw/zinc/24/69/86/1132246986.db2.gz FTOPXXHOUNULNY-AWEZNQCLSA-N 1 1 256.374 3.957 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001172490965 1132247280 /nfs/dbraw/zinc/24/72/80/1132247280.db2.gz BAYMQVZEDJOFHB-GFCCVEGCSA-N 1 1 262.784 3.780 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172494395 1132248053 /nfs/dbraw/zinc/24/80/53/1132248053.db2.gz UAQZSNCDBXZGTJ-GJZGRUSLSA-N 1 1 272.392 3.567 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c(Cl)cccc2C1 ZINC001172499652 1132250120 /nfs/dbraw/zinc/25/01/20/1132250120.db2.gz FRKSKLBCXSMXKV-LBPRGKRZSA-N 1 1 262.784 3.780 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001172503279 1132252392 /nfs/dbraw/zinc/25/23/92/1132252392.db2.gz XIHWVHAPNSJSAA-ULQDDVLXSA-N 1 1 266.473 3.904 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001172504019 1132252450 /nfs/dbraw/zinc/25/24/50/1132252450.db2.gz DRGJPBXZYMDKES-WBVHZDCISA-N 1 1 272.392 3.612 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001172503520 1132253145 /nfs/dbraw/zinc/25/31/45/1132253145.db2.gz YATDIOSXAZMMNU-IRXDYDNUSA-N 1 1 282.472 3.726 20 30 CHEDMO C[C@@H](CCCC#N)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001172504712 1132254099 /nfs/dbraw/zinc/25/40/99/1132254099.db2.gz IDTXRDYIAPNVMN-KRWDZBQOSA-N 1 1 299.462 3.665 20 30 CHEDMO C[C@@H](CCCC#N)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172504712 1132254103 /nfs/dbraw/zinc/25/41/03/1132254103.db2.gz IDTXRDYIAPNVMN-KRWDZBQOSA-N 1 1 299.462 3.665 20 30 CHEDMO C[C@@H](CCCC#N)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172504712 1132254104 /nfs/dbraw/zinc/25/41/04/1132254104.db2.gz IDTXRDYIAPNVMN-KRWDZBQOSA-N 1 1 299.462 3.665 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2cccc(Br)c2C1 ZINC001172507597 1132255361 /nfs/dbraw/zinc/25/53/61/1132255361.db2.gz XIEQGRGUIFQFAS-NSHDSACASA-N 1 1 293.208 3.847 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1Cc2cccc(Br)c2C1 ZINC001172507597 1132255364 /nfs/dbraw/zinc/25/53/64/1132255364.db2.gz XIEQGRGUIFQFAS-NSHDSACASA-N 1 1 293.208 3.847 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001172508282 1132255664 /nfs/dbraw/zinc/25/56/64/1132255664.db2.gz IHBXAHQXRGZOCL-SJLPKXTDSA-N 1 1 294.483 3.728 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172509768 1132257057 /nfs/dbraw/zinc/25/70/57/1132257057.db2.gz QDRWRKIRVSMHGE-PKOBYXMFSA-N 1 1 299.462 3.665 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172510411 1132258109 /nfs/dbraw/zinc/25/81/09/1132258109.db2.gz BOJAAKWRYMLMBR-KKUMJFAQSA-N 1 1 267.413 3.515 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172510411 1132258119 /nfs/dbraw/zinc/25/81/19/1132258119.db2.gz BOJAAKWRYMLMBR-KKUMJFAQSA-N 1 1 267.413 3.515 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001172510900 1132259065 /nfs/dbraw/zinc/25/90/65/1132259065.db2.gz JVNNKQGUGSIAOS-IAGOWNOFSA-N 1 1 282.472 3.726 20 30 CHEDMO N#C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172551472 1132263812 /nfs/dbraw/zinc/26/38/12/1132263812.db2.gz HKUNXOIDDAKZCA-UAGQMJEPSA-N 1 1 254.377 3.558 20 30 CHEDMO CC1(C)CCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141894550 1132264746 /nfs/dbraw/zinc/26/47/46/1132264746.db2.gz NESFVJZLVMERMO-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO 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C=CCC[N@@H+](C)Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000298165174 260147254 /nfs/dbraw/zinc/14/72/54/260147254.db2.gz SWFFDILNAFRZRJ-UHFFFAOYSA-N 1 1 299.773 3.532 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000298165174 260147255 /nfs/dbraw/zinc/14/72/55/260147255.db2.gz SWFFDILNAFRZRJ-UHFFFAOYSA-N 1 1 299.773 3.532 20 30 CHEDMO C[C@]12CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]1C2(F)F ZINC000298277074 260149261 /nfs/dbraw/zinc/14/92/61/260149261.db2.gz OEULHMCHUNHKNZ-CABCVRRESA-N 1 1 295.760 3.669 20 30 CHEDMO C[C@]12CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]1C2(F)F ZINC000298277074 260149263 /nfs/dbraw/zinc/14/92/63/260149263.db2.gz OEULHMCHUNHKNZ-CABCVRRESA-N 1 1 295.760 3.669 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000080263176 260179066 /nfs/dbraw/zinc/17/90/66/260179066.db2.gz WUNXFDASIRNNBP-SMDDNHRTSA-N 1 1 271.389 3.817 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000130425692 260395625 /nfs/dbraw/zinc/39/56/25/260395625.db2.gz YOMPBGXUAFQHDP-BBRMVZONSA-N 1 1 272.392 3.577 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000016433545 260507038 /nfs/dbraw/zinc/50/70/38/260507038.db2.gz ZHQREFZWTPESSB-GUYCJALGSA-N 1 1 280.371 3.907 20 30 CHEDMO N#CCC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000130429217 260855954 /nfs/dbraw/zinc/85/59/54/260855954.db2.gz IGZAHHCNVXWVGG-MRXNPFEDSA-N 1 1 294.354 3.550 20 30 CHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCC[C@H]1C ZINC000444692410 261096755 /nfs/dbraw/zinc/09/67/55/261096755.db2.gz MBWMDXDXYMLFFK-HZPDHXFCSA-N 1 1 280.456 3.843 20 30 CHEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000162936013 261299582 /nfs/dbraw/zinc/29/95/82/261299582.db2.gz QOXWJRFHHIGNME-GHMZBOCLSA-N 1 1 280.824 3.537 20 30 CHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000162936013 261299583 /nfs/dbraw/zinc/29/95/83/261299583.db2.gz QOXWJRFHHIGNME-GHMZBOCLSA-N 1 1 280.824 3.537 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)c(Br)c1 ZINC000163696424 261325954 /nfs/dbraw/zinc/32/59/54/261325954.db2.gz PYPVAWPEMOZYRD-LBPRGKRZSA-N 1 1 281.197 3.539 20 30 CHEDMO N#CCC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000335860587 261330890 /nfs/dbraw/zinc/33/08/90/261330890.db2.gz ISWCNUIXRJZQEO-UHFFFAOYSA-N 1 1 266.747 3.605 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177195861 261338125 /nfs/dbraw/zinc/33/81/25/261338125.db2.gz DKAHNSRLZNKLLK-HOTGVXAUSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177195861 261338127 /nfs/dbraw/zinc/33/81/27/261338127.db2.gz DKAHNSRLZNKLLK-HOTGVXAUSA-N 1 1 290.407 3.557 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000184085402 262007859 /nfs/dbraw/zinc/00/78/59/262007859.db2.gz NYRRMHRFTOXVAT-INIZCTEOSA-N 1 1 265.360 3.530 20 30 CHEDMO CCCCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OC ZINC000184090115 262008455 /nfs/dbraw/zinc/00/84/55/262008455.db2.gz CQZAFDITQKJBGC-OAHLLOKOSA-N 1 1 290.407 3.656 20 30 CHEDMO CCCO[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000364356330 262215976 /nfs/dbraw/zinc/21/59/76/262215976.db2.gz SKSLAQMLGMHYPE-INIZCTEOSA-N 1 1 280.456 3.988 20 30 CHEDMO CC[N@@H+](CCCOc1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000497994673 262244723 /nfs/dbraw/zinc/24/47/23/262244723.db2.gz BBIQCPHFUQVTRY-AWEZNQCLSA-N 1 1 274.408 3.554 20 30 CHEDMO CC(C)(C#N)CCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000365440286 262365615 /nfs/dbraw/zinc/36/56/15/262365615.db2.gz BFOQNRCWJLNBKG-UHFFFAOYSA-N 1 1 291.483 3.657 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000336827838 262398244 /nfs/dbraw/zinc/39/82/44/262398244.db2.gz LCUDFBZPPAGSSE-KRWDZBQOSA-N 1 1 278.440 3.599 20 30 CHEDMO CCN1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827828 262398376 /nfs/dbraw/zinc/39/83/76/262398376.db2.gz KCGGQIPQQILJJY-JKSUJKDBSA-N 1 1 279.472 3.511 20 30 CHEDMO CCN1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827828 262398378 /nfs/dbraw/zinc/39/83/78/262398378.db2.gz KCGGQIPQQILJJY-JKSUJKDBSA-N 1 1 279.472 3.511 20 30 CHEDMO CC[C@@H]([NH2+]CCC#N)c1cc(F)cc(Br)c1 ZINC000411560443 262699327 /nfs/dbraw/zinc/69/93/27/262699327.db2.gz JZHSLLWOCKEDBB-GFCCVEGCSA-N 1 1 285.160 3.543 20 30 CHEDMO CCO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411784635 262706559 /nfs/dbraw/zinc/70/65/59/262706559.db2.gz BZQDMRMMGAYCRD-CVEARBPZSA-N 1 1 278.440 3.597 20 30 CHEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H](CO)CC(C)(C)C ZINC000411801006 262707027 /nfs/dbraw/zinc/70/70/27/262707027.db2.gz YHAFTLYGEJCPRD-OAHLLOKOSA-N 1 1 280.456 3.579 20 30 CHEDMO CC[N@@H+](CCCCC#N)Cc1ccccc1Br ZINC000263765643 262853679 /nfs/dbraw/zinc/85/36/79/262853679.db2.gz BNZBUKWBFMCQMU-UHFFFAOYSA-N 1 1 295.224 3.965 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ncc(-c2ccccc2)o1 ZINC000274416486 263023846 /nfs/dbraw/zinc/02/38/46/263023846.db2.gz HYLHSVFBAVNOIT-KCQAQPDRSA-N 1 1 281.359 3.684 20 30 CHEDMO Cc1nc([C@H]2CCC[N@@H+]2CCC(C)(C)C#N)cs1 ZINC000275043212 263032397 /nfs/dbraw/zinc/03/23/97/263032397.db2.gz HRKITPFZHNCSIV-CYBMUJFWSA-N 1 1 263.410 3.528 20 30 CHEDMO Cc1nc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)cs1 ZINC000275043212 263032398 /nfs/dbraw/zinc/03/23/98/263032398.db2.gz HRKITPFZHNCSIV-CYBMUJFWSA-N 1 1 263.410 3.528 20 30 CHEDMO C[C@H](CCC#N)[N@H+](C)Cc1ccccc1Br ZINC000276261379 263035293 /nfs/dbraw/zinc/03/52/93/263035293.db2.gz BCXVBBPRYNWXRV-LLVKDONJSA-N 1 1 281.197 3.573 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccccc1Br ZINC000276261379 263035294 /nfs/dbraw/zinc/03/52/94/263035294.db2.gz BCXVBBPRYNWXRV-LLVKDONJSA-N 1 1 281.197 3.573 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000276304786 263036088 /nfs/dbraw/zinc/03/60/88/263036088.db2.gz KUGQHOCCUOIIBB-GJZGRUSLSA-N 1 1 274.433 3.793 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(Br)s1 ZINC000276334943 263036477 /nfs/dbraw/zinc/03/64/77/263036477.db2.gz RSPJMVCLVDGOFL-VIFPVBQESA-N 1 1 287.226 3.635 20 30 CHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000276833344 263038230 /nfs/dbraw/zinc/03/82/30/263038230.db2.gz BPRPAPMHVYTNRG-AVGNSLFASA-N 1 1 297.406 3.602 20 30 CHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000276833346 263038386 /nfs/dbraw/zinc/03/83/86/263038386.db2.gz BPRPAPMHVYTNRG-RWMBFGLXSA-N 1 1 297.406 3.602 20 30 CHEDMO C[C@H]1CCSCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000279195459 263053753 /nfs/dbraw/zinc/05/37/53/263053753.db2.gz FJXJVVRSECFCQO-AWEZNQCLSA-N 1 1 288.460 3.815 20 30 CHEDMO C=CCOc1ccccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815314 263053905 /nfs/dbraw/zinc/05/39/05/263053905.db2.gz XDGHUXZDDRIVFK-OAHLLOKOSA-N 1 1 296.414 3.561 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279980011 263058566 /nfs/dbraw/zinc/05/85/66/263058566.db2.gz QZMIUAFMMARGMX-GFCCVEGCSA-N 1 1 299.340 3.553 20 30 CHEDMO Cc1ccccc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281925830 263073129 /nfs/dbraw/zinc/07/31/29/263073129.db2.gz HQRBSXXHIPHXOU-UHFFFAOYSA-N 1 1 286.419 3.527 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284732523 263088001 /nfs/dbraw/zinc/08/80/01/263088001.db2.gz KKWABEDXYNPZDP-MSOLQXFVSA-N 1 1 298.430 3.631 20 30 CHEDMO CC(C)CCN(CCC#N)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000340287047 263104648 /nfs/dbraw/zinc/10/46/48/263104648.db2.gz FXRHLIXMLIRNAU-KRWDZBQOSA-N 1 1 279.472 3.511 20 30 CHEDMO CN(C)c1ccccc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000289005258 263106985 /nfs/dbraw/zinc/10/69/85/263106985.db2.gz MTGXZFZVLAFVKA-UHFFFAOYSA-N 1 1 287.451 3.904 20 30 CHEDMO Cc1cccc(C[N@@H+](CCOCCC#N)Cc2ccco2)c1 ZINC000292682003 263133713 /nfs/dbraw/zinc/13/37/13/263133713.db2.gz BVWCMWVIUYAQCB-UHFFFAOYSA-N 1 1 298.386 3.521 20 30 CHEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCOCCC#N ZINC000292914677 263136247 /nfs/dbraw/zinc/13/62/47/263136247.db2.gz XKVUVWQWOTXGAY-ZIAGYGMSSA-N 1 1 294.826 3.694 20 30 CHEDMO C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293215102 263138732 /nfs/dbraw/zinc/13/87/32/263138732.db2.gz VDKPPVAZKCHHOW-HIFRSBDPSA-N 1 1 262.784 3.507 20 30 CHEDMO CC[N@@H+](CCOCCC#N)Cc1ccc2ccccc2c1 ZINC000293634320 263145253 /nfs/dbraw/zinc/14/52/53/263145253.db2.gz XAODMHGXUXQQPU-UHFFFAOYSA-N 1 1 282.387 3.592 20 30 CHEDMO N#CCCOCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000293669301 263146464 /nfs/dbraw/zinc/14/64/64/263146464.db2.gz ZIDGECXWIPUFCA-QGZVFWFLSA-N 1 1 272.392 3.534 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCCC#N ZINC000296584673 263193783 /nfs/dbraw/zinc/19/37/83/263193783.db2.gz FCLKGMWOFDWFNR-HLLBOEOZSA-N 1 1 256.393 3.947 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCCC#N ZINC000296584672 263193792 /nfs/dbraw/zinc/19/37/92/263193792.db2.gz FCLKGMWOFDWFNR-BFYDXBDKSA-N 1 1 256.393 3.947 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000298302412 263217467 /nfs/dbraw/zinc/21/74/67/263217467.db2.gz YEVMZFNFPGLKKZ-UKRRQHHQSA-N 1 1 258.340 3.506 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000298302412 263217468 /nfs/dbraw/zinc/21/74/68/263217468.db2.gz YEVMZFNFPGLKKZ-UKRRQHHQSA-N 1 1 258.340 3.506 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000299447280 263242432 /nfs/dbraw/zinc/24/24/32/263242432.db2.gz YTKQSHAPCIPRDP-GFCCVEGCSA-N 1 1 250.773 3.507 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000299648449 263250887 /nfs/dbraw/zinc/25/08/87/263250887.db2.gz KUDPIILCCAUKOK-JTQLQIEISA-N 1 1 254.736 3.603 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOCc1ccccc1 ZINC000187713804 263267475 /nfs/dbraw/zinc/26/74/75/263267475.db2.gz AWTRQJQTWNKHCC-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CC[N@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000121474969 263294031 /nfs/dbraw/zinc/29/40/31/263294031.db2.gz ZOJNQNRKIWMXSM-UHFFFAOYSA-N 1 1 276.380 3.651 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000341136083 263323530 /nfs/dbraw/zinc/32/35/30/263323530.db2.gz ZKQBZWCBARJKKG-ZFWWWQNUSA-N 1 1 288.439 3.606 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000341136083 263323532 /nfs/dbraw/zinc/32/35/32/263323532.db2.gz ZKQBZWCBARJKKG-ZFWWWQNUSA-N 1 1 288.439 3.606 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000341136083 263323533 /nfs/dbraw/zinc/32/35/33/263323533.db2.gz ZKQBZWCBARJKKG-ZFWWWQNUSA-N 1 1 288.439 3.606 20 30 CHEDMO C=C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000342000906 263374949 /nfs/dbraw/zinc/37/49/49/263374949.db2.gz ZSMUKBYVWOARNR-UHFFFAOYSA-N 1 1 272.323 3.633 20 30 CHEDMO N#CC1(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000343256426 264222612 /nfs/dbraw/zinc/22/26/12/264222612.db2.gz YVPTVVZDZGZFAL-UHFFFAOYSA-N 1 1 294.320 3.974 20 30 CHEDMO N#CC1(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000343256426 264222613 /nfs/dbraw/zinc/22/26/13/264222613.db2.gz YVPTVVZDZGZFAL-UHFFFAOYSA-N 1 1 294.320 3.974 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCSC2)CCCC1(C)C ZINC000425997183 264303615 /nfs/dbraw/zinc/30/36/15/264303615.db2.gz WJNHTTHDOBOOJF-KBPBESRZSA-N 1 1 253.455 3.806 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425543085 264589568 /nfs/dbraw/zinc/58/95/68/264589568.db2.gz AVZVDMPRAZMRNZ-INIZCTEOSA-N 1 1 290.451 3.597 20 30 CHEDMO N#CC1(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000343315906 264761526 /nfs/dbraw/zinc/76/15/26/264761526.db2.gz RVBXRRYGGNBQFB-HNNXBMFYSA-N 1 1 258.340 3.656 20 30 CHEDMO N#CC1(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000343315906 264761524 /nfs/dbraw/zinc/76/15/24/264761524.db2.gz RVBXRRYGGNBQFB-HNNXBMFYSA-N 1 1 258.340 3.656 20 30 CHEDMO CC(C)(CCC#N)C[NH2+]CC(F)(F)c1ccccc1 ZINC000353257090 266036335 /nfs/dbraw/zinc/03/63/35/266036335.db2.gz YHHSPOJTDWNRQF-UHFFFAOYSA-N 1 1 266.335 3.698 20 30 CHEDMO CSC1(C[N@@H+](CCC#N)CCC(C)C)CCC1 ZINC000356188220 266066317 /nfs/dbraw/zinc/06/63/17/266066317.db2.gz DMWBXYWMTASNEL-UHFFFAOYSA-N 1 1 254.443 3.534 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356197184 266069481 /nfs/dbraw/zinc/06/94/81/266069481.db2.gz UYPVUKOZZGJLLC-INIZCTEOSA-N 1 1 285.416 3.844 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356197184 266069482 /nfs/dbraw/zinc/06/94/82/266069482.db2.gz UYPVUKOZZGJLLC-INIZCTEOSA-N 1 1 285.416 3.844 20 30 CHEDMO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356197199 266069894 /nfs/dbraw/zinc/06/98/94/266069894.db2.gz UYPVUKOZZGJLLC-MRXNPFEDSA-N 1 1 285.416 3.844 20 30 CHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356197199 266069896 /nfs/dbraw/zinc/06/98/96/266069896.db2.gz UYPVUKOZZGJLLC-MRXNPFEDSA-N 1 1 285.416 3.844 20 30 CHEDMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)[C@H](C)CC#N ZINC000356219675 266075135 /nfs/dbraw/zinc/07/51/35/266075135.db2.gz HICIYOULJBUNRM-KXXVWKPMSA-N 1 1 294.345 3.925 20 30 CHEDMO C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@H](C)CC#N ZINC000356219675 266075138 /nfs/dbraw/zinc/07/51/38/266075138.db2.gz HICIYOULJBUNRM-KXXVWKPMSA-N 1 1 294.345 3.925 20 30 CHEDMO C=CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)C1CC1 ZINC000357557229 266323310 /nfs/dbraw/zinc/32/33/10/266323310.db2.gz WVLISOQGDZINFJ-UHFFFAOYSA-N 1 1 274.389 3.862 20 30 CHEDMO C=CC[N@H+](Cc1nc(-c2ccsc2)oc1C)C1CC1 ZINC000357557229 266323313 /nfs/dbraw/zinc/32/33/13/266323313.db2.gz WVLISOQGDZINFJ-UHFFFAOYSA-N 1 1 274.389 3.862 20 30 CHEDMO N#CCc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000361581596 266853354 /nfs/dbraw/zinc/85/33/54/266853354.db2.gz HABHIUVZXCMZMG-UHFFFAOYSA-N 1 1 254.377 3.517 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000367973853 267131752 /nfs/dbraw/zinc/13/17/52/267131752.db2.gz QRYMPKJZYPPULQ-GUYCJALGSA-N 1 1 284.403 3.598 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)no1 ZINC000368439102 267172812 /nfs/dbraw/zinc/17/28/12/267172812.db2.gz QQMNYJPFWAQCMU-HNNXBMFYSA-N 1 1 275.396 3.840 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000368439432 267173060 /nfs/dbraw/zinc/17/30/60/267173060.db2.gz UTNRCGLRDPHUEU-CQSZACIVSA-N 1 1 260.381 3.789 20 30 CHEDMO COc1ccc2ccccc2c1C[NH2+]CC1(C#N)CCC1 ZINC000418143578 267365816 /nfs/dbraw/zinc/36/58/16/267365816.db2.gz QKORGAUHAZBIEY-UHFFFAOYSA-N 1 1 280.371 3.632 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ZINC000452068661 331052807 /nfs/dbraw/zinc/05/28/07/331052807.db2.gz CLBOCMKLCVFVEI-MRXNPFEDSA-N 1 1 292.467 3.845 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccc(C#N)cc1 ZINC000453353219 331121040 /nfs/dbraw/zinc/12/10/40/331121040.db2.gz NNOJQVUSCQBYNM-CJNGLKHVSA-N 1 1 282.391 3.577 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)oc1C ZINC000453365088 331123164 /nfs/dbraw/zinc/12/31/64/331123164.db2.gz CQXJLGLLJYNODB-NSHDSACASA-N 1 1 272.323 3.758 20 30 CHEDMO C=CC[NH+](CC=C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459288895 331274704 /nfs/dbraw/zinc/27/47/04/331274704.db2.gz GHLUFNGICUFYLB-UHFFFAOYSA-N 1 1 287.432 3.756 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc(C2CC2)nc1 ZINC000459533305 331286288 /nfs/dbraw/zinc/28/62/88/331286288.db2.gz STHWFRFZZAELFK-UHFFFAOYSA-N 1 1 293.414 3.932 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(C2CC2)nc1 ZINC000459533305 331286289 /nfs/dbraw/zinc/28/62/89/331286289.db2.gz STHWFRFZZAELFK-UHFFFAOYSA-N 1 1 293.414 3.932 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459672175 331293459 /nfs/dbraw/zinc/29/34/59/331293459.db2.gz XOENJPPIDVJPSX-CYBMUJFWSA-N 1 1 291.357 3.634 20 30 CHEDMO CC(C)(CC#N)C[NH2+]Cc1c(F)cccc1Br ZINC000459684217 331294240 /nfs/dbraw/zinc/29/42/40/331294240.db2.gz BTPVLRHMLVTMRF-UHFFFAOYSA-N 1 1 299.187 3.618 20 30 CHEDMO C=CC[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000461750265 331314444 /nfs/dbraw/zinc/31/44/44/331314444.db2.gz ZKWBOUIBCLCZCE-UHFFFAOYSA-N 1 1 255.361 3.819 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+]C1CCN(C2CCC2)CC1 ZINC000462042385 331316940 /nfs/dbraw/zinc/31/69/40/331316940.db2.gz VDVVRHPDFNZNMW-HNNXBMFYSA-N 1 1 264.457 3.728 20 30 CHEDMO CC#CCC[N@@H+](CC)Cc1ccccc1Br ZINC000462310085 331318940 /nfs/dbraw/zinc/31/89/40/331318940.db2.gz FOWJJQJXVOJCBS-UHFFFAOYSA-N 1 1 280.209 3.684 20 30 CHEDMO CC#CCC[N@H+](CC)Cc1ccccc1Br ZINC000462310085 331318941 /nfs/dbraw/zinc/31/89/41/331318941.db2.gz FOWJJQJXVOJCBS-UHFFFAOYSA-N 1 1 280.209 3.684 20 30 CHEDMO CC#CCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000462317567 331319361 /nfs/dbraw/zinc/31/93/61/331319361.db2.gz VLLQOJVQSCJSEO-HNNXBMFYSA-N 1 1 279.836 3.843 20 30 CHEDMO CC#CCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000462317567 331319362 /nfs/dbraw/zinc/31/93/62/331319362.db2.gz VLLQOJVQSCJSEO-HNNXBMFYSA-N 1 1 279.836 3.843 20 30 CHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000463190511 331341673 /nfs/dbraw/zinc/34/16/73/331341673.db2.gz DNCUOGSOTXYCFR-TWMKSMIVSA-N 1 1 265.441 3.604 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000463199173 331341841 /nfs/dbraw/zinc/34/18/41/331341841.db2.gz GMYSGRLCWPKMDC-TWMKSMIVSA-N 1 1 265.441 3.604 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000466489338 331398396 /nfs/dbraw/zinc/39/83/96/331398396.db2.gz BYQNHWXAFCRWRX-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000505899447 331810014 /nfs/dbraw/zinc/81/00/14/331810014.db2.gz WRAHFSMCCPHJTD-UHFFFAOYSA-N 1 1 287.794 3.700 20 30 CHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000488401112 332004267 /nfs/dbraw/zinc/00/42/67/332004267.db2.gz GIKNKJYGJGPRIZ-MRXNPFEDSA-N 1 1 286.419 3.838 20 30 CHEDMO C=CCCCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000488446160 332009732 /nfs/dbraw/zinc/00/97/32/332009732.db2.gz GQMHFIAFMMKDHP-UHFFFAOYSA-N 1 1 251.414 3.625 20 30 CHEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)ccc1C#N ZINC000488466402 332011753 /nfs/dbraw/zinc/01/17/53/332011753.db2.gz QBNLVKLRPZSYDJ-IBGZPJMESA-N 1 1 293.414 3.932 20 30 CHEDMO C=CC[C@@H]1[N@@H+](C[C@H]2CCO[C@H](C)C2)CCCC1(C)C ZINC000489013158 332037874 /nfs/dbraw/zinc/03/78/74/332037874.db2.gz MAGZJCDOKSQCSU-PMPSAXMXSA-N 1 1 265.441 3.868 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc2cccnc21 ZINC000489400125 332050092 /nfs/dbraw/zinc/05/00/92/332050092.db2.gz JIBLXMWMGFFFJY-INIZCTEOSA-N 1 1 252.361 3.775 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000489430769 332051839 /nfs/dbraw/zinc/05/18/39/332051839.db2.gz DKEGRAGBBGGJKZ-AWEZNQCLSA-N 1 1 282.387 3.700 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000489430769 332051840 /nfs/dbraw/zinc/05/18/40/332051840.db2.gz DKEGRAGBBGGJKZ-AWEZNQCLSA-N 1 1 282.387 3.700 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000489442286 332052648 /nfs/dbraw/zinc/05/26/48/332052648.db2.gz SPPFXHIQIVAHDZ-OAHLLOKOSA-N 1 1 268.360 3.882 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000489507670 332057624 /nfs/dbraw/zinc/05/76/24/332057624.db2.gz IRNCJFSWSLQXIJ-INIZCTEOSA-N 1 1 259.393 3.886 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(C(CC)CC)n1 ZINC000489514863 332057979 /nfs/dbraw/zinc/05/79/79/332057979.db2.gz RARUJXJSWRVMSW-INIZCTEOSA-N 1 1 261.413 3.785 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(C(CC)CC)n1 ZINC000489514863 332057980 /nfs/dbraw/zinc/05/79/80/332057980.db2.gz RARUJXJSWRVMSW-INIZCTEOSA-N 1 1 261.413 3.785 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)ccc1F ZINC000491260975 332175786 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ZINC000052045970 1125513856 /nfs/dbraw/zinc/51/38/56/1125513856.db2.gz NVFCQFAIGMGESF-UHFFFAOYSA-N 1 1 282.309 3.974 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000348315926 1125537762 /nfs/dbraw/zinc/53/77/62/1125537762.db2.gz MFHFQTACJBIMDL-OAHLLOKOSA-N 1 1 282.391 3.575 20 30 CHEDMO Cc1cc([NH2+]CC(C)(C)CCC#N)ccc1N(C)C ZINC000120160277 1125542971 /nfs/dbraw/zinc/54/29/71/1125542971.db2.gz LKHNFSZVGPZZGW-UHFFFAOYSA-N 1 1 259.397 3.803 20 30 CHEDMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000134900424 1125570094 /nfs/dbraw/zinc/57/00/94/1125570094.db2.gz OCVVTVUDDYEJSL-NEPJUHHUSA-N 1 1 271.389 3.735 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000245409826 1125570512 /nfs/dbraw/zinc/57/05/12/1125570512.db2.gz ODJUFPIJSGRQOB-DOTOQJQBSA-N 1 1 286.419 3.778 20 30 CHEDMO C=C(C)CC[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000509670856 1125571068 /nfs/dbraw/zinc/57/10/68/1125571068.db2.gz AMWYZDXHLWMRKZ-KRWDZBQOSA-N 1 1 272.436 3.549 20 30 CHEDMO Cc1ccccc1CCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000532817669 1125584860 /nfs/dbraw/zinc/58/48/60/1125584860.db2.gz IIPWSVYWLFJARE-CQSZACIVSA-N 1 1 256.393 3.552 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](CC1CC1)C(C)C ZINC000536640129 1125586806 /nfs/dbraw/zinc/58/68/06/1125586806.db2.gz UJVAFXMUNLOCEY-UHFFFAOYSA-N 1 1 259.393 3.872 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1OC ZINC000536639904 1125594874 /nfs/dbraw/zinc/59/48/74/1125594874.db2.gz JWNDUIJNHPYKSW-UHFFFAOYSA-N 1 1 289.419 3.880 20 30 CHEDMO C=CCCC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000533438564 1125606503 /nfs/dbraw/zinc/60/65/03/1125606503.db2.gz KNAILDAUCIDULM-UHFFFAOYSA-N 1 1 295.430 3.759 20 30 CHEDMO N#CCC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000533497259 1125610892 /nfs/dbraw/zinc/61/08/92/1125610892.db2.gz GMEXYLJFISHXDX-MRXNPFEDSA-N 1 1 290.370 3.698 20 30 CHEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000066425269 1125622534 /nfs/dbraw/zinc/62/25/34/1125622534.db2.gz WUDNMJXHSRDKLM-AWEZNQCLSA-N 1 1 262.784 3.651 20 30 CHEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1 ZINC000249037859 1125677824 /nfs/dbraw/zinc/67/78/24/1125677824.db2.gz TWBFNUXAKAXXQL-VNQPRFMTSA-N 1 1 297.427 3.904 20 30 CHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886541482 1125687552 /nfs/dbraw/zinc/68/75/52/1125687552.db2.gz XDIXJRYLVHTCDR-BPQIPLTHSA-N 1 1 298.430 3.514 20 30 CHEDMO N#CCCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084135131 1125727738 /nfs/dbraw/zinc/72/77/38/1125727738.db2.gz VBCSESXEOSANOP-KRWDZBQOSA-N 1 1 298.386 3.509 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)CCCSCc1ccccc1 ZINC000090552289 1125742697 /nfs/dbraw/zinc/74/26/97/1125742697.db2.gz POZFTOIOUGYLAN-CQSZACIVSA-N 1 1 262.422 3.544 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CCCSCc1ccccc1 ZINC000090552289 1125742703 /nfs/dbraw/zinc/74/27/03/1125742703.db2.gz POZFTOIOUGYLAN-CQSZACIVSA-N 1 1 262.422 3.544 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000078955447 1125744934 /nfs/dbraw/zinc/74/49/34/1125744934.db2.gz FTJMQWYPPOZWQZ-UHFFFAOYSA-N 1 1 268.385 3.808 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC000404261869 1125756321 /nfs/dbraw/zinc/75/63/21/1125756321.db2.gz SBCWFXGVRLIRRY-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)o1 ZINC000093441666 1125768642 /nfs/dbraw/zinc/76/86/42/1125768642.db2.gz FNOMXQPLZFIQIM-HNNXBMFYSA-N 1 1 270.332 3.862 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)o1 ZINC000093441666 1125768647 /nfs/dbraw/zinc/76/86/47/1125768647.db2.gz FNOMXQPLZFIQIM-HNNXBMFYSA-N 1 1 270.332 3.862 20 30 CHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000093511475 1125769471 /nfs/dbraw/zinc/76/94/71/1125769471.db2.gz YOUXNBAZEMHLTG-SFHVURJKSA-N 1 1 299.462 3.917 20 30 CHEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093612449 1125769861 /nfs/dbraw/zinc/76/98/61/1125769861.db2.gz RWWJMZCYXDBFTF-NSHDSACASA-N 1 1 289.404 3.672 20 30 CHEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093612449 1125769869 /nfs/dbraw/zinc/76/98/69/1125769869.db2.gz RWWJMZCYXDBFTF-NSHDSACASA-N 1 1 289.404 3.672 20 30 CHEDMO C[N@@H+](CCc1cccs1)CC(C)(C)CCC#N ZINC000093685654 1125772613 /nfs/dbraw/zinc/77/26/13/1125772613.db2.gz JNALWRVVSJBZSI-UHFFFAOYSA-N 1 1 250.411 3.552 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000509687107 1125777121 /nfs/dbraw/zinc/77/71/21/1125777121.db2.gz TWZFZMVSHNDHCG-KRWDZBQOSA-N 1 1 272.436 3.549 20 30 CHEDMO CSc1cc(C)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001238685933 1131232960 /nfs/dbraw/zinc/23/29/60/1131232960.db2.gz RBWYJQHRBSVWLJ-CQSZACIVSA-N 1 1 274.433 3.843 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(F)cc1OC(C)C ZINC001238700533 1131234109 /nfs/dbraw/zinc/23/41/09/1131234109.db2.gz CSJPACSPIICUEP-UHFFFAOYSA-N 1 1 263.356 3.787 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000740877538 1129423311 /nfs/dbraw/zinc/42/33/11/1129423311.db2.gz HICWCDAMAYHSFC-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000740877538 1129423314 /nfs/dbraw/zinc/42/33/14/1129423314.db2.gz HICWCDAMAYHSFC-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238708162 1131235266 /nfs/dbraw/zinc/23/52/66/1131235266.db2.gz UEEDNGPXCVVZTJ-UHFFFAOYSA-N 1 1 289.398 3.552 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238708162 1131235268 /nfs/dbraw/zinc/23/52/68/1131235268.db2.gz UEEDNGPXCVVZTJ-UHFFFAOYSA-N 1 1 289.398 3.552 20 30 CHEDMO C=CCC[C@@H](C)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001258733597 1129641344 /nfs/dbraw/zinc/64/13/44/1129641344.db2.gz JGXKZGIHMHFWAM-SKDRFNHKSA-N 1 1 273.302 3.698 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC001646392893 1129197901 /nfs/dbraw/zinc/19/79/01/1129197901.db2.gz QXSGGQVXAHEDHS-NSHDSACASA-N 1 1 298.249 3.746 20 30 CHEDMO CCSc1ccccc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100605 1130112504 /nfs/dbraw/zinc/11/25/04/1130112504.db2.gz UMFAIRHFJICNKG-LBPRGKRZSA-N 1 1 262.422 3.999 20 30 CHEDMO Cc1cc2c(cc1C)[C@H]([NH2+]CC1(C#N)CC1)CCS2 ZINC000903105623 1130113598 /nfs/dbraw/zinc/11/35/98/1130113598.db2.gz GGSQZKUCSHSUSG-CQSZACIVSA-N 1 1 272.417 3.734 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000903106482 1130113867 /nfs/dbraw/zinc/11/38/67/1130113867.db2.gz RIHOAWYGKSOCON-MRVPVSSYSA-N 1 1 284.190 3.530 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CCC(C)C ZINC000481724898 1126708914 /nfs/dbraw/zinc/70/89/14/1126708914.db2.gz JESTWYYIGYJHDZ-CQSZACIVSA-N 1 1 267.438 3.533 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CCC(C)C ZINC000481746325 1126710882 /nfs/dbraw/zinc/71/08/82/1126710882.db2.gz PYTSTAKPYTXSMQ-GOSISDBHSA-N 1 1 288.435 3.567 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000600601582 1126721593 /nfs/dbraw/zinc/72/15/93/1126721593.db2.gz HGWVXTDSPWGXJU-AWEZNQCLSA-N 1 1 295.411 3.948 20 30 CHEDMO CCN(CCC[NH+](CC)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000338236979 1126726491 /nfs/dbraw/zinc/72/64/91/1126726491.db2.gz QCKHGMYBDSLPSB-MRXNPFEDSA-N 1 1 287.451 3.673 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccccc2C#N)CC1 ZINC000338345998 1126735586 /nfs/dbraw/zinc/73/55/86/1126735586.db2.gz UAKNYNAIYUTHCG-UHFFFAOYSA-N 1 1 278.355 3.831 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000338342183 1126736030 /nfs/dbraw/zinc/73/60/30/1126736030.db2.gz LNWIGIIUPMMGBV-UHFFFAOYSA-N 1 1 278.355 3.831 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCCC(C)(C)C#N ZINC000174852286 1126773772 /nfs/dbraw/zinc/77/37/72/1126773772.db2.gz FOYPMEIKXBMHMX-AWEZNQCLSA-N 1 1 256.393 3.936 20 30 CHEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cccc(C#N)c1)CCC2 ZINC000780408495 1126784273 /nfs/dbraw/zinc/78/42/73/1126784273.db2.gz KPXSIJKGXBHROY-KRWDZBQOSA-N 1 1 294.402 3.503 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1cc(C)c(C)cc1OC(F)F ZINC000483401580 1126784721 /nfs/dbraw/zinc/78/47/21/1126784721.db2.gz FLGQOPJRLPPCGN-UHFFFAOYSA-N 1 1 299.361 3.539 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cn2c(n1)CCCC2 ZINC000924785349 1126781584 /nfs/dbraw/zinc/78/15/84/1126781584.db2.gz MLQYNTQLBADWCT-ZIAGYGMSSA-N 1 1 294.402 3.503 20 30 CHEDMO CC[C@H]([NH2+]Cc1ncc(C)s1)c1cccc(C#N)c1 ZINC000902822551 1126782453 /nfs/dbraw/zinc/78/24/53/1126782453.db2.gz XMUSVBTUZMTJEF-AWEZNQCLSA-N 1 1 271.389 3.564 20 30 CHEDMO CCOc1ccccc1C[N@H+](C)CC#Cc1ccccc1 ZINC000483509199 1126789734 /nfs/dbraw/zinc/78/97/34/1126789734.db2.gz BSPOYMPEOLPDIM-UHFFFAOYSA-N 1 1 279.383 3.569 20 30 CHEDMO CCOc1ccccc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000483509199 1126789737 /nfs/dbraw/zinc/78/97/37/1126789737.db2.gz BSPOYMPEOLPDIM-UHFFFAOYSA-N 1 1 279.383 3.569 20 30 CHEDMO COc1ccc(C[N@@H+](CC#Cc2ccccc2)C2CC2)cc1 ZINC000483540063 1126791469 /nfs/dbraw/zinc/79/14/69/1126791469.db2.gz DKXYIPZJOSXHMZ-UHFFFAOYSA-N 1 1 291.394 3.711 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000483535054 1126792219 /nfs/dbraw/zinc/79/22/19/1126792219.db2.gz DVSDPLIRCGXTLS-LJQANCHMSA-N 1 1 261.368 3.875 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000161135491 1126801449 /nfs/dbraw/zinc/80/14/49/1126801449.db2.gz BWRMKGMADKSUGX-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000924788622 1126798421 /nfs/dbraw/zinc/79/84/21/1126798421.db2.gz OIMWMWRFQRLCJJ-NSHDSACASA-N 1 1 289.404 3.821 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000483737086 1126799076 /nfs/dbraw/zinc/79/90/76/1126799076.db2.gz ZOARNOCQZDUCEJ-KSZLIROESA-N 1 1 268.404 3.948 20 30 CHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCSCC#N ZINC000177545331 1126802772 /nfs/dbraw/zinc/80/27/72/1126802772.db2.gz MEGILSCARAJWOB-HOCLYGCPSA-N 1 1 274.433 3.511 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483963297 1126805926 /nfs/dbraw/zinc/80/59/26/1126805926.db2.gz QMWVRMQPYUFQMV-HACGYAERSA-N 1 1 272.367 3.850 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000483955660 1126805991 /nfs/dbraw/zinc/80/59/91/1126805991.db2.gz DKHZUIYHGJJMLV-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000483923968 1126806073 /nfs/dbraw/zinc/80/60/73/1126806073.db2.gz FNKIASZPXSABJA-YLJYHZDGSA-N 1 1 275.395 3.916 20 30 CHEDMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510694 1126814915 /nfs/dbraw/zinc/81/49/15/1126814915.db2.gz DZBYGHXRWVPNKA-HNNXBMFYSA-N 1 1 293.414 3.866 20 30 CHEDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510694 1126814918 /nfs/dbraw/zinc/81/49/18/1126814918.db2.gz DZBYGHXRWVPNKA-HNNXBMFYSA-N 1 1 293.414 3.866 20 30 CHEDMO CC[C@H]([NH2+]Cc1sccc1C)c1cccc(C#N)c1O ZINC000924793054 1126815645 /nfs/dbraw/zinc/81/56/45/1126815645.db2.gz PORHUOLNLPLALY-AWEZNQCLSA-N 1 1 286.400 3.875 20 30 CHEDMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001255175643 1130552134 /nfs/dbraw/zinc/55/21/34/1130552134.db2.gz SKANNOGKVOGQQM-HIFRSBDPSA-N 1 1 262.784 3.822 20 30 CHEDMO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484538499 1126826658 /nfs/dbraw/zinc/82/66/58/1126826658.db2.gz AXLVHMNMVSPAAL-QGZVFWFLSA-N 1 1 259.393 3.589 20 30 CHEDMO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484538499 1126826661 /nfs/dbraw/zinc/82/66/61/1126826661.db2.gz AXLVHMNMVSPAAL-QGZVFWFLSA-N 1 1 259.393 3.589 20 30 CHEDMO N#Cc1cccc(C[NH2+]Cc2ccnc(Cl)c2Cl)c1 ZINC000811474157 1130613768 /nfs/dbraw/zinc/61/37/68/1130613768.db2.gz VRPFCHTXHQPFFG-UHFFFAOYSA-N 1 1 292.169 3.550 20 30 CHEDMO CC(C)c1csc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000181910543 1126862526 /nfs/dbraw/zinc/86/25/26/1126862526.db2.gz IOSQEOLQFJMIOJ-LBPRGKRZSA-N 1 1 285.416 3.989 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCc3ccccc3C2)no1 ZINC000904613988 1126862573 /nfs/dbraw/zinc/86/25/73/1126862573.db2.gz BYUQZSDUGDRRNP-HOTGVXAUSA-N 1 1 297.402 3.698 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(CC)CCCC2)no1 ZINC000904702087 1126867447 /nfs/dbraw/zinc/86/74/47/1126867447.db2.gz VLJMTMLVGFIIPP-LBPRGKRZSA-N 1 1 263.385 3.648 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000777402325 1126894605 /nfs/dbraw/zinc/89/46/05/1126894605.db2.gz WWIHTYOITRXCEF-OAHLLOKOSA-N 1 1 293.414 3.817 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cc(C)sc1C)c1ccc(F)cc1 ZINC000812793860 1130718029 /nfs/dbraw/zinc/71/80/29/1130718029.db2.gz HUUDOIVRJKYUMC-INIZCTEOSA-N 1 1 273.376 3.968 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000905722967 1126913308 /nfs/dbraw/zinc/91/33/08/1126913308.db2.gz NSFWVNBTYZMSAK-ZDUSSCGKSA-N 1 1 283.400 3.564 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000668492937 1126917689 /nfs/dbraw/zinc/91/76/89/1126917689.db2.gz HVIDYCFPMKJFCX-ZDUSSCGKSA-N 1 1 256.349 3.616 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(O)c(OCC)c2)C1 ZINC000668493721 1126917702 /nfs/dbraw/zinc/91/77/02/1126917702.db2.gz RBWHCMPBPVJPAF-CQSZACIVSA-N 1 1 275.392 3.579 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000189347763 1126931557 /nfs/dbraw/zinc/93/15/57/1126931557.db2.gz VEAJFPJXJZYJPG-CYBMUJFWSA-N 1 1 254.333 3.653 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000189346277 1126931654 /nfs/dbraw/zinc/93/16/54/1126931654.db2.gz KZAVOAOODMAFMM-CQSZACIVSA-N 1 1 280.371 3.760 20 30 CHEDMO CCN(CC)c1ccc(C=[NH+]OCCC(F)(F)F)cc1 ZINC000777462660 1126942333 /nfs/dbraw/zinc/94/23/33/1126942333.db2.gz GNFXFCROYQPFSX-UHFFFAOYSA-N 1 1 288.313 3.836 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906324770 1126947965 /nfs/dbraw/zinc/94/79/65/1126947965.db2.gz KODKXMZBILWEAD-SFHVURJKSA-N 1 1 296.418 3.800 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(F)cccc1Cl ZINC000191276613 1126949472 /nfs/dbraw/zinc/94/94/72/1126949472.db2.gz PGJREHMCOFWLHZ-SNVBAGLBSA-N 1 1 291.757 3.540 20 30 CHEDMO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226889 1126950029 /nfs/dbraw/zinc/95/00/29/1126950029.db2.gz HHSVKXWHYMCFTB-LBPRGKRZSA-N 1 1 287.794 3.743 20 30 CHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226889 1126950031 /nfs/dbraw/zinc/95/00/31/1126950031.db2.gz HHSVKXWHYMCFTB-LBPRGKRZSA-N 1 1 287.794 3.743 20 30 CHEDMO CCC1(CC)[C@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@@H]1OC ZINC000485755725 1126951174 /nfs/dbraw/zinc/95/11/74/1126951174.db2.gz VYCCAGAOIIAOKC-CABCVRRESA-N 1 1 280.456 3.842 20 30 CHEDMO N#Cc1cccc2c1C[N@H+]([C@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590369 1126959214 /nfs/dbraw/zinc/95/92/14/1126959214.db2.gz PRUMFXCBCXIRER-WMZOPIPTSA-N 1 1 278.330 3.569 20 30 CHEDMO N#Cc1cccc2c1C[N@@H+]([C@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590369 1126959218 /nfs/dbraw/zinc/95/92/18/1126959218.db2.gz PRUMFXCBCXIRER-WMZOPIPTSA-N 1 1 278.330 3.569 20 30 CHEDMO C=C(C)[C@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(F)c(F)c1 ZINC000193302567 1126968834 /nfs/dbraw/zinc/96/88/34/1126968834.db2.gz OGACQYQUZCMARY-BZNIZROVSA-N 1 1 291.345 3.666 20 30 CHEDMO CCC(CC)[C@H](CN[C@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037241173 1126975796 /nfs/dbraw/zinc/97/57/96/1126975796.db2.gz JFFFSJSOEMDSNJ-KDOFPFPSSA-N 1 1 287.451 3.575 20 30 CHEDMO C=CCCCCCCCCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094579 1130857067 /nfs/dbraw/zinc/85/70/67/1130857067.db2.gz UVRNLDHWICZMMN-CVEARBPZSA-N 1 1 252.446 3.572 20 30 CHEDMO C=CCCCCCCCCC[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001236094579 1130857073 /nfs/dbraw/zinc/85/70/73/1130857073.db2.gz UVRNLDHWICZMMN-CVEARBPZSA-N 1 1 252.446 3.572 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001236094579 1130857080 /nfs/dbraw/zinc/85/70/80/1130857080.db2.gz UVRNLDHWICZMMN-CVEARBPZSA-N 1 1 252.446 3.572 20 30 CHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000266743781 1126987316 /nfs/dbraw/zinc/98/73/16/1126987316.db2.gz OSFJSLQHRLGAHX-OAHLLOKOSA-N 1 1 278.396 3.609 20 30 CHEDMO C=CCCCCCCC[N@@H+](C)[C@@]1(C)CCCNC1 ZINC001236198245 1130885447 /nfs/dbraw/zinc/88/54/47/1130885447.db2.gz AJVCVQQOMOUPFI-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCC[N@H+](C)[C@@]1(C)CCCNC1 ZINC001236198245 1130885452 /nfs/dbraw/zinc/88/54/52/1130885452.db2.gz AJVCVQQOMOUPFI-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000486806006 1127004583 /nfs/dbraw/zinc/00/45/83/1127004583.db2.gz YLQQQBMQEZDFSI-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000487865245 1127044624 /nfs/dbraw/zinc/04/46/24/1127044624.db2.gz DKTHJEVEJTVVGO-QGZVFWFLSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000487865245 1127044627 /nfs/dbraw/zinc/04/46/27/1127044627.db2.gz DKTHJEVEJTVVGO-QGZVFWFLSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487943636 1127049454 /nfs/dbraw/zinc/04/94/54/1127049454.db2.gz KPPYSRSYBMRWGV-UHFFFAOYSA-N 1 1 291.345 3.549 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000488137744 1127058899 /nfs/dbraw/zinc/05/88/99/1127058899.db2.gz KOJFJFZVWZFICK-CHWSQXEVSA-N 1 1 279.346 3.511 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOCC12CCCC2 ZINC000270659594 1127059233 /nfs/dbraw/zinc/05/92/33/1127059233.db2.gz QIWOWYNPAXEDGE-UHFFFAOYSA-N 1 1 298.430 3.633 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1C ZINC000488289420 1127069092 /nfs/dbraw/zinc/06/90/92/1127069092.db2.gz FNXUYTFIHUZFNQ-WMLDXEAASA-N 1 1 256.393 3.672 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000150893673 1127108304 /nfs/dbraw/zinc/10/83/04/1127108304.db2.gz KMDYBIPOTJIAGL-UHFFFAOYSA-N 1 1 252.789 3.913 20 30 CHEDMO Cc1ccc2c(C)cc(NCCCCC#N)[nH+]c2c1 ZINC000274112757 1127107952 /nfs/dbraw/zinc/10/79/52/1127107952.db2.gz YWJXZCCSVSVKFD-UHFFFAOYSA-N 1 1 253.349 3.957 20 30 CHEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000283208774 1127126406 /nfs/dbraw/zinc/12/64/06/1127126406.db2.gz RVPRYVGHPYUQKH-NSHDSACASA-N 1 1 253.415 3.586 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000283208774 1127126409 /nfs/dbraw/zinc/12/64/09/1127126409.db2.gz RVPRYVGHPYUQKH-NSHDSACASA-N 1 1 253.415 3.586 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(SC)CC1 ZINC000348871570 1127132912 /nfs/dbraw/zinc/13/29/12/1127132912.db2.gz YBBUPGTUDCHESZ-UHFFFAOYSA-N 1 1 293.480 3.738 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000348907536 1127134780 /nfs/dbraw/zinc/13/47/80/1127134780.db2.gz XCBHANBQBIUHAX-SFHVURJKSA-N 1 1 294.398 3.984 20 30 CHEDMO CC[N@H+](CCC#N)Cc1ccc2nccc(Cl)c2c1 ZINC001237271028 1131074087 /nfs/dbraw/zinc/07/40/87/1131074087.db2.gz WNOGZUDZSUUNNM-UHFFFAOYSA-N 1 1 273.767 3.624 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1ccc2nccc(Cl)c2c1 ZINC001237271028 1131074090 /nfs/dbraw/zinc/07/40/90/1131074090.db2.gz WNOGZUDZSUUNNM-UHFFFAOYSA-N 1 1 273.767 3.624 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccc(O)cc2)c1 ZINC000349370455 1127149088 /nfs/dbraw/zinc/14/90/88/1127149088.db2.gz RGFUUSTWJRLOTO-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO Cc1cc(C)c(O)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000164299412 1127161049 /nfs/dbraw/zinc/16/10/49/1127161049.db2.gz LIABOQRVLFHWRK-UHFFFAOYSA-N 1 1 274.408 3.771 20 30 CHEDMO CCC[N@@H+](Cc1cc(C#N)c(F)cc1F)[C@@H](C)CC ZINC001237529459 1131111079 /nfs/dbraw/zinc/11/10/79/1131111079.db2.gz DZXGYCPZZUJAEK-NSHDSACASA-N 1 1 266.335 3.847 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000351064757 1127184652 /nfs/dbraw/zinc/18/46/52/1127184652.db2.gz PQEOJBLICMUNKR-UHFFFAOYSA-N 1 1 291.420 3.677 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000351064757 1127184654 /nfs/dbraw/zinc/18/46/54/1127184654.db2.gz PQEOJBLICMUNKR-UHFFFAOYSA-N 1 1 291.420 3.677 20 30 CHEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000351199083 1127186676 /nfs/dbraw/zinc/18/66/76/1127186676.db2.gz HGLGQIWHZZKVIJ-CQSZACIVSA-N 1 1 272.367 3.699 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000351760773 1127208499 /nfs/dbraw/zinc/20/84/99/1127208499.db2.gz NBCBAMNKQRCZPO-OAHLLOKOSA-N 1 1 282.391 3.575 20 30 CHEDMO C[C@]12CC[N@H+](Cc3ccccc3C#N)C[C@H]1C2(Cl)Cl ZINC000284922129 1127211650 /nfs/dbraw/zinc/21/16/50/1127211650.db2.gz VVSNMYNIFSYLPY-KGLIPLIRSA-N 1 1 295.213 3.574 20 30 CHEDMO C[C@]12CC[N@@H+](Cc3ccccc3C#N)C[C@H]1C2(Cl)Cl ZINC000284922129 1127211652 /nfs/dbraw/zinc/21/16/52/1127211652.db2.gz VVSNMYNIFSYLPY-KGLIPLIRSA-N 1 1 295.213 3.574 20 30 CHEDMO CCC[N@@H+](CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589494577 1127222452 /nfs/dbraw/zinc/22/24/52/1127222452.db2.gz QJNLOVSODPSYBT-UHFFFAOYSA-N 1 1 270.298 3.809 20 30 CHEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000285363976 1127224348 /nfs/dbraw/zinc/22/43/48/1127224348.db2.gz VTIRPWOAVKRLNU-BONVTDFDSA-N 1 1 277.318 3.656 20 30 CHEDMO C=C(C)C[N@@H+](CCc1ccncc1)Cc1ccccc1 ZINC000352342692 1127225201 /nfs/dbraw/zinc/22/52/01/1127225201.db2.gz XBKLHWTYGGSHMB-UHFFFAOYSA-N 1 1 266.388 3.702 20 30 CHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000589751480 1127235680 /nfs/dbraw/zinc/23/56/80/1127235680.db2.gz ATJWLDXFMMUDES-KGLIPLIRSA-N 1 1 297.324 3.506 20 30 CHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCCC)C1=O ZINC001275115342 1127237537 /nfs/dbraw/zinc/23/75/37/1127237537.db2.gz VXWWXQWANMIGIF-SFHVURJKSA-N 1 1 292.467 3.600 20 30 CHEDMO CCOC1CC2(C1)CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000285598096 1127238746 /nfs/dbraw/zinc/23/87/46/1127238746.db2.gz WLSSCJHTDRUPKC-RWBZWWBESA-N 1 1 284.403 3.510 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)C1 ZINC000590166077 1127250626 /nfs/dbraw/zinc/25/06/26/1127250626.db2.gz OGDGFOJPIXYLEO-RBSFLKMASA-N 1 1 295.386 3.699 20 30 CHEDMO COCc1ccccc1/C=C(\C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590362459 1127257316 /nfs/dbraw/zinc/25/73/16/1127257316.db2.gz KOZLSFGIMRLEBH-KZIRBZLESA-N 1 1 298.430 3.862 20 30 CHEDMO COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590362459 1127257319 /nfs/dbraw/zinc/25/73/19/1127257319.db2.gz KOZLSFGIMRLEBH-KZIRBZLESA-N 1 1 298.430 3.862 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600852 1127264480 /nfs/dbraw/zinc/26/44/80/1127264480.db2.gz NQLJPAVHMOUUDZ-YJBOKZPZSA-N 1 1 291.398 3.894 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466811953 1127263807 /nfs/dbraw/zinc/26/38/07/1127263807.db2.gz ADHQOBQSHFWTQX-UHFFFAOYSA-N 1 1 289.810 3.924 20 30 CHEDMO C=CCC[C@H](NC[C@@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000286275070 1127264093 /nfs/dbraw/zinc/26/40/93/1127264093.db2.gz VNJBNIOESXGBKZ-HOTGVXAUSA-N 1 1 276.424 3.608 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000353970899 1127282718 /nfs/dbraw/zinc/28/27/18/1127282718.db2.gz GWIXLTDCUPJZND-INIZCTEOSA-N 1 1 256.393 3.633 20 30 CHEDMO C[N@H+](Cc1cccc(-c2cccnc2)c1)CC(C)(C)C#N ZINC000354034801 1127287026 /nfs/dbraw/zinc/28/70/26/1127287026.db2.gz CJZGGILEQCUHMZ-UHFFFAOYSA-N 1 1 279.387 3.730 20 30 CHEDMO C[N@@H+](Cc1cccc(-c2cccnc2)c1)CC(C)(C)C#N ZINC000354034801 1127287028 /nfs/dbraw/zinc/28/70/28/1127287028.db2.gz CJZGGILEQCUHMZ-UHFFFAOYSA-N 1 1 279.387 3.730 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063352 1127285686 /nfs/dbraw/zinc/28/56/86/1127285686.db2.gz RFUFIWXXLHQSTH-CXAGYDPISA-N 1 1 254.377 3.741 20 30 CHEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)c1cccc(C#N)c1 ZINC000591571005 1127309559 /nfs/dbraw/zinc/30/95/59/1127309559.db2.gz SKQZWQHEPXDANV-RKVPGOIHSA-N 1 1 285.435 3.520 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)C1 ZINC000355131574 1127319546 /nfs/dbraw/zinc/31/95/46/1127319546.db2.gz JAQYPOIVWLCERA-QWHCGFSZSA-N 1 1 260.356 3.565 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2ccncc2C#N)C(C)C)s1 ZINC000592061547 1127332634 /nfs/dbraw/zinc/33/26/34/1127332634.db2.gz MOVDUIPZFQBXAL-UHFFFAOYSA-N 1 1 285.416 3.734 20 30 CHEDMO Cc1ccc(C[N@@H+](Cc2ccncc2C#N)C(C)C)s1 ZINC000592061547 1127332639 /nfs/dbraw/zinc/33/26/39/1127332639.db2.gz MOVDUIPZFQBXAL-UHFFFAOYSA-N 1 1 285.416 3.734 20 30 CHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592061055 1127332943 /nfs/dbraw/zinc/33/29/43/1127332943.db2.gz PYWMILHKICNEMY-GOSISDBHSA-N 1 1 277.371 3.599 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)s1 ZINC000592098984 1127333874 /nfs/dbraw/zinc/33/38/74/1127333874.db2.gz IPHLTKUVKNWMRF-LBPRGKRZSA-N 1 1 291.807 3.909 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1c1ccccc1 ZINC000592072886 1127334807 /nfs/dbraw/zinc/33/48/07/1127334807.db2.gz QHHSHUSKRJAFAI-BEFAXECRSA-N 1 1 291.398 3.579 20 30 CHEDMO CCCC[N@@H+](Cc1ccncc1C#N)C1CCCCC1 ZINC000592068257 1127334974 /nfs/dbraw/zinc/33/49/74/1127334974.db2.gz QQBVHDMQGTYLEZ-UHFFFAOYSA-N 1 1 271.408 3.888 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592071997 1127335051 /nfs/dbraw/zinc/33/50/51/1127335051.db2.gz BCLKNSXBTUKWOP-LJQANCHMSA-N 1 1 293.414 3.715 20 30 CHEDMO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccncc1C#N ZINC000592068192 1127335122 /nfs/dbraw/zinc/33/51/22/1127335122.db2.gz KCSOALJBHFIWRN-SFHVURJKSA-N 1 1 279.387 3.926 20 30 CHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ccncc1C#N ZINC000592068192 1127335127 /nfs/dbraw/zinc/33/51/27/1127335127.db2.gz KCSOALJBHFIWRN-SFHVURJKSA-N 1 1 279.387 3.926 20 30 CHEDMO N#Cc1cnccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000592097670 1127335709 /nfs/dbraw/zinc/33/57/09/1127335709.db2.gz SAAJTEJGGJYSSS-QGZVFWFLSA-N 1 1 297.789 3.848 20 30 CHEDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592122398 1127336253 /nfs/dbraw/zinc/33/62/53/1127336253.db2.gz LKHLHZRHMFAPIN-GOSISDBHSA-N 1 1 295.386 3.545 20 30 CHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592122398 1127336255 /nfs/dbraw/zinc/33/62/55/1127336255.db2.gz LKHLHZRHMFAPIN-GOSISDBHSA-N 1 1 295.386 3.545 20 30 CHEDMO C[C@H]1CC2(C[N@H+]1CCC1(C#N)CCCCC1)CCOCC2 ZINC000592182460 1127338165 /nfs/dbraw/zinc/33/81/65/1127338165.db2.gz AWDGAQMFMKIYDQ-INIZCTEOSA-N 1 1 290.451 3.742 20 30 CHEDMO C[C@@H]1CC2(C[N@H+]1CCC1(C#N)CCCCC1)CCOCC2 ZINC000592182461 1127338251 /nfs/dbraw/zinc/33/82/51/1127338251.db2.gz AWDGAQMFMKIYDQ-MRXNPFEDSA-N 1 1 290.451 3.742 20 30 CHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592194651 1127338747 /nfs/dbraw/zinc/33/87/47/1127338747.db2.gz PVKDQSJIYYRBTC-HNNXBMFYSA-N 1 1 278.440 3.740 20 30 CHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000355446826 1127342323 /nfs/dbraw/zinc/34/23/23/1127342323.db2.gz LNZQANNVSOXPPR-INIZCTEOSA-N 1 1 286.419 3.613 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592195899 1127344982 /nfs/dbraw/zinc/34/49/82/1127344982.db2.gz VNOBHRRAOWJTKZ-LSDHHAIUSA-N 1 1 284.403 3.653 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](CC)CC2CCC2)cc1OC ZINC000355610114 1127353982 /nfs/dbraw/zinc/35/39/82/1127353982.db2.gz RAQSBPFZRBAJOT-UHFFFAOYSA-N 1 1 289.419 3.882 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 ZINC000355678716 1127358246 /nfs/dbraw/zinc/35/82/46/1127358246.db2.gz HKYWSZKKLZCFIG-AWEZNQCLSA-N 1 1 297.358 3.739 20 30 CHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 ZINC000355678716 1127358248 /nfs/dbraw/zinc/35/82/48/1127358248.db2.gz HKYWSZKKLZCFIG-AWEZNQCLSA-N 1 1 297.358 3.739 20 30 CHEDMO CC[C@H](OCC[N@H+](CC)C[C@H](C)C#N)c1ccccc1 ZINC000593001832 1127364708 /nfs/dbraw/zinc/36/47/08/1127364708.db2.gz KGGGRMXNFNCIET-WBVHZDCISA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@H](OCC[N@@H+](CC)C[C@H](C)C#N)c1ccccc1 ZINC000593001832 1127364710 /nfs/dbraw/zinc/36/47/10/1127364710.db2.gz KGGGRMXNFNCIET-WBVHZDCISA-N 1 1 274.408 3.636 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2cccc(F)c2o1 ZINC000355750599 1127362445 /nfs/dbraw/zinc/36/24/45/1127362445.db2.gz VLDUMTNLVLOKCW-SNVBAGLBSA-N 1 1 258.296 3.526 20 30 CHEDMO C[C@H]1C[N@H+](CC2(C#N)CC2)CCc2ccc(Cl)cc21 ZINC000593065541 1127368199 /nfs/dbraw/zinc/36/81/99/1127368199.db2.gz DKGDMJSABAPQKU-LBPRGKRZSA-N 1 1 274.795 3.605 20 30 CHEDMO C[C@H]1C[N@@H+](CC2(C#N)CC2)CCc2ccc(Cl)cc21 ZINC000593065541 1127368203 /nfs/dbraw/zinc/36/82/03/1127368203.db2.gz DKGDMJSABAPQKU-LBPRGKRZSA-N 1 1 274.795 3.605 20 30 CHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CCCSCC#N ZINC000593046653 1127369028 /nfs/dbraw/zinc/36/90/28/1127369028.db2.gz QSWAUFGLWFNNEP-CQSZACIVSA-N 1 1 294.489 3.746 20 30 CHEDMO N#CCCC[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050350 1127369286 /nfs/dbraw/zinc/36/92/86/1127369286.db2.gz HRZHBURZAFUZTF-UHFFFAOYSA-N 1 1 266.344 3.608 20 30 CHEDMO N#CCCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050350 1127369291 /nfs/dbraw/zinc/36/92/91/1127369291.db2.gz HRZHBURZAFUZTF-UHFFFAOYSA-N 1 1 266.344 3.608 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000593053008 1127370101 /nfs/dbraw/zinc/37/01/01/1127370101.db2.gz YMUUUMZEIMIDTO-RHSMWYFYSA-N 1 1 292.382 3.997 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000593053020 1127370141 /nfs/dbraw/zinc/37/01/41/1127370141.db2.gz YMUUUMZEIMIDTO-YOEHRIQHSA-N 1 1 292.382 3.997 20 30 CHEDMO CC[N@@H+](CCc1cccc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000574154070 1127371558 /nfs/dbraw/zinc/37/15/58/1127371558.db2.gz ONTGSCQQVQSQLF-INIZCTEOSA-N 1 1 293.414 3.887 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C2(CCC2)CO1 ZINC000593091690 1127373116 /nfs/dbraw/zinc/37/31/16/1127373116.db2.gz KAOGUMBNZMBHNB-HNNXBMFYSA-N 1 1 298.430 3.631 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000593087439 1127373521 /nfs/dbraw/zinc/37/35/21/1127373521.db2.gz JTHHREKBVHXOQH-HNNXBMFYSA-N 1 1 295.386 3.925 20 30 CHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000593087439 1127373524 /nfs/dbraw/zinc/37/35/24/1127373524.db2.gz JTHHREKBVHXOQH-HNNXBMFYSA-N 1 1 295.386 3.925 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593125876 1127375659 /nfs/dbraw/zinc/37/56/59/1127375659.db2.gz POLCPISRFBHXDK-BZSNNMDCSA-N 1 1 284.403 3.675 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)s1 ZINC000289366869 1127382542 /nfs/dbraw/zinc/38/25/42/1127382542.db2.gz KXMGRNNOWMZKRT-UHFFFAOYSA-N 1 1 270.357 3.502 20 30 CHEDMO CC[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000593407344 1127383483 /nfs/dbraw/zinc/38/34/83/1127383483.db2.gz RMDXTAMZYYQQKO-HOCLYGCPSA-N 1 1 299.418 3.549 20 30 CHEDMO C=CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C1CC1 ZINC000357527353 1127391289 /nfs/dbraw/zinc/39/12/89/1127391289.db2.gz JXNCVZNHWHRXII-UHFFFAOYSA-N 1 1 281.403 3.640 20 30 CHEDMO CC(C)Cn1nccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000592516635 1127393738 /nfs/dbraw/zinc/39/37/38/1127393738.db2.gz ROZQOFOFCIBGLO-HNNXBMFYSA-N 1 1 296.418 3.604 20 30 CHEDMO CC(C)Cn1nccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000592516635 1127393741 /nfs/dbraw/zinc/39/37/41/1127393741.db2.gz ROZQOFOFCIBGLO-HNNXBMFYSA-N 1 1 296.418 3.604 20 30 CHEDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046477129 1127408241 /nfs/dbraw/zinc/40/82/41/1127408241.db2.gz HDFUHMRKSLXNBN-UHFFFAOYSA-N 1 1 280.371 3.513 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000358293471 1127413608 /nfs/dbraw/zinc/41/36/08/1127413608.db2.gz XAHFJWGIWYWQLL-NSHDSACASA-N 1 1 277.418 3.653 20 30 CHEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506887 1127418933 /nfs/dbraw/zinc/41/89/33/1127418933.db2.gz GWKAQWJTMIERQF-CQSZACIVSA-N 1 1 296.418 3.555 20 30 CHEDMO Cc1nc(-c2ccc([C@@H](C)[NH2+]CCC#N)cc2)cs1 ZINC000358878996 1127437105 /nfs/dbraw/zinc/43/71/05/1127437105.db2.gz VVNGLFKZWZVRJK-LLVKDONJSA-N 1 1 271.389 3.683 20 30 CHEDMO COc1cc(C)ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980923 1127443338 /nfs/dbraw/zinc/44/33/38/1127443338.db2.gz CXEKEMMYRUHSTE-UHFFFAOYSA-N 1 1 272.392 3.567 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594993163 1127444218 /nfs/dbraw/zinc/44/42/18/1127444218.db2.gz AIEMLOQNKOGKQC-UHFFFAOYSA-N 1 1 284.403 3.815 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc3ccccc3o2)CCCCC1 ZINC000594994243 1127444520 /nfs/dbraw/zinc/44/45/20/1127444520.db2.gz IOWNPFYYSMLDNG-UHFFFAOYSA-N 1 1 268.360 3.996 20 30 CHEDMO CC[N@H+](CCSc1ccc(F)cc1F)C[C@H](C)C#N ZINC000595297902 1127457301 /nfs/dbraw/zinc/45/73/01/1127457301.db2.gz KITHPJBOKUFQIU-LLVKDONJSA-N 1 1 284.375 3.538 20 30 CHEDMO CC[N@@H+](CCSc1ccc(F)cc1F)C[C@H](C)C#N ZINC000595297902 1127457304 /nfs/dbraw/zinc/45/73/04/1127457304.db2.gz KITHPJBOKUFQIU-LLVKDONJSA-N 1 1 284.375 3.538 20 30 CHEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cn1 ZINC000595091200 1127454890 /nfs/dbraw/zinc/45/48/90/1127454890.db2.gz NTUUDPQIQWRYJC-MRXNPFEDSA-N 1 1 289.398 3.981 20 30 CHEDMO COc1ccccc1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595097035 1127455947 /nfs/dbraw/zinc/45/59/47/1127455947.db2.gz GMYJISYWGSDFTH-AWEZNQCLSA-N 1 1 272.392 3.820 20 30 CHEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000595297606 1127458157 /nfs/dbraw/zinc/45/81/57/1127458157.db2.gz XKHZVLVCILPTEB-BJWYYQGGSA-N 1 1 266.388 3.569 20 30 CHEDMO Cc1ccc2ncc(C[N@H+]3CCC[C@@H](CC#N)C3)cc2c1 ZINC000595623381 1127468630 /nfs/dbraw/zinc/46/86/30/1127468630.db2.gz OOHGVWUHXYCKLW-HNNXBMFYSA-N 1 1 279.387 3.669 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000595620740 1127468701 /nfs/dbraw/zinc/46/87/01/1127468701.db2.gz PQBKOSHBYDIYAS-IYXRBSQSSA-N 1 1 288.357 3.981 20 30 CHEDMO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611237 1127469917 /nfs/dbraw/zinc/46/99/17/1127469917.db2.gz ICQMHMLEWSRZEZ-RYUDHWBXSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611237 1127469920 /nfs/dbraw/zinc/46/99/20/1127469920.db2.gz ICQMHMLEWSRZEZ-RYUDHWBXSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611236 1127470114 /nfs/dbraw/zinc/47/01/14/1127470114.db2.gz ICQMHMLEWSRZEZ-NWDGAFQWSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611236 1127470115 /nfs/dbraw/zinc/47/01/15/1127470115.db2.gz ICQMHMLEWSRZEZ-NWDGAFQWSA-N 1 1 264.319 3.651 20 30 CHEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000595602318 1127470215 /nfs/dbraw/zinc/47/02/15/1127470215.db2.gz UMGCIKLSUZIYPS-SFHVURJKSA-N 1 1 291.398 3.907 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000595611708 1127470258 /nfs/dbraw/zinc/47/02/58/1127470258.db2.gz NDBBOTDIWYHBHE-CYBMUJFWSA-N 1 1 299.349 3.606 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000595611708 1127470261 /nfs/dbraw/zinc/47/02/61/1127470261.db2.gz NDBBOTDIWYHBHE-CYBMUJFWSA-N 1 1 299.349 3.606 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC3(CCCC3)CC2)n1 ZINC000595643677 1127471266 /nfs/dbraw/zinc/47/12/66/1127471266.db2.gz YMBWAKPHVWIPNS-UHFFFAOYSA-N 1 1 275.421 3.561 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000595659131 1127472105 /nfs/dbraw/zinc/47/21/05/1127472105.db2.gz KYNKZKLDVCGZDZ-CHWSQXEVSA-N 1 1 295.452 3.672 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000595659131 1127472108 /nfs/dbraw/zinc/47/21/08/1127472108.db2.gz KYNKZKLDVCGZDZ-CHWSQXEVSA-N 1 1 295.452 3.672 20 30 CHEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000595814761 1127475718 /nfs/dbraw/zinc/47/57/18/1127475718.db2.gz ISPMAZDHZDPVJF-OAHLLOKOSA-N 1 1 278.440 3.740 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595757085 1127475890 /nfs/dbraw/zinc/47/58/90/1127475890.db2.gz ZAKIHCMCDACIOP-UKRRQHHQSA-N 1 1 260.356 3.691 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822152 1127476691 /nfs/dbraw/zinc/47/66/91/1127476691.db2.gz NUROLVMJYDDJJE-AWEZNQCLSA-N 1 1 296.414 3.510 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000595836454 1127478817 /nfs/dbraw/zinc/47/88/17/1127478817.db2.gz XVGKUXGLOOBFTO-QGZVFWFLSA-N 1 1 250.345 3.575 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000595881905 1127479257 /nfs/dbraw/zinc/47/92/57/1127479257.db2.gz XNVOIIFNPHTOPZ-HYVNUMGLSA-N 1 1 260.425 3.971 20 30 CHEDMO N#CC1(CCC[N@H+]2CCC[C@H](C3CCC3)C2)CCOCC1 ZINC000595831482 1127479263 /nfs/dbraw/zinc/47/92/63/1127479263.db2.gz CSULQKVGDUNAFF-KRWDZBQOSA-N 1 1 290.451 3.599 20 30 CHEDMO CC1(C)C[C@@]1([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000595907959 1127479489 /nfs/dbraw/zinc/47/94/89/1127479489.db2.gz DDUSGLWRNRXMSC-LJQANCHMSA-N 1 1 276.383 3.973 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)c(F)c1 ZINC000595911154 1127479724 /nfs/dbraw/zinc/47/97/24/1127479724.db2.gz OELGWKUJUBAAMM-UHFFFAOYSA-N 1 1 292.357 3.818 20 30 CHEDMO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360828756 1127513628 /nfs/dbraw/zinc/51/36/28/1127513628.db2.gz AHCOMGGGWCWRCV-HNAYVOBHSA-N 1 1 299.462 3.646 20 30 CHEDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360828756 1127513630 /nfs/dbraw/zinc/51/36/30/1127513630.db2.gz AHCOMGGGWCWRCV-HNAYVOBHSA-N 1 1 299.462 3.646 20 30 CHEDMO CCOc1ccc(C[N@H+](CCC#N)C(C)C)c(C)c1 ZINC000596985588 1127523673 /nfs/dbraw/zinc/52/36/73/1127523673.db2.gz FIMIOOCDMLTUJI-UHFFFAOYSA-N 1 1 260.381 3.518 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)C(C)C)c(C)c1 ZINC000596985588 1127523676 /nfs/dbraw/zinc/52/36/76/1127523676.db2.gz FIMIOOCDMLTUJI-UHFFFAOYSA-N 1 1 260.381 3.518 20 30 CHEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597019466 1127525044 /nfs/dbraw/zinc/52/50/44/1127525044.db2.gz JAVXAPBHVVGEAB-MRXNPFEDSA-N 1 1 286.444 3.569 20 30 CHEDMO CC[N@@H+](CCOc1ccccc1C#N)CCc1ccccc1 ZINC000060469254 1127530444 /nfs/dbraw/zinc/53/04/44/1127530444.db2.gz MBCFGBWOBFRVNX-UHFFFAOYSA-N 1 1 294.398 3.502 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000228087964 1127526810 /nfs/dbraw/zinc/52/68/10/1127526810.db2.gz MSCLDIVYBKAKND-UHFFFAOYSA-N 1 1 274.433 3.584 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000597082193 1127527214 /nfs/dbraw/zinc/52/72/14/1127527214.db2.gz GXIWQBXNBQGVQT-GFCCVEGCSA-N 1 1 256.374 3.664 20 30 CHEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597112529 1127528433 /nfs/dbraw/zinc/52/84/33/1127528433.db2.gz GDXISUPBXDMXIF-AWEZNQCLSA-N 1 1 286.444 3.569 20 30 CHEDMO C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597173350 1127531473 /nfs/dbraw/zinc/53/14/73/1127531473.db2.gz JFAJXSVRNNQQOP-MLRPBERTSA-N 1 1 254.377 3.716 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000597174412 1127531621 /nfs/dbraw/zinc/53/16/21/1127531621.db2.gz PZJGPJOVVSNJNW-LBPRGKRZSA-N 1 1 272.323 3.698 20 30 CHEDMO CC(C)CCn1cccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597173877 1127531804 /nfs/dbraw/zinc/53/18/04/1127531804.db2.gz 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ZINC000467286405 1127963346 /nfs/dbraw/zinc/96/33/46/1127963346.db2.gz UWGISZXRWJYWJY-UHFFFAOYSA-N 1 1 294.398 3.947 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000540349689 1127976109 /nfs/dbraw/zinc/97/61/09/1127976109.db2.gz HISRRPCLMJXHSK-JKSUJKDBSA-N 1 1 298.434 3.654 20 30 CHEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000540552147 1127984738 /nfs/dbraw/zinc/98/47/38/1127984738.db2.gz BYFGQNJDZUSRLF-IRXDYDNUSA-N 1 1 268.404 3.867 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000468265343 1128000282 /nfs/dbraw/zinc/00/02/82/1128000282.db2.gz DXOCTWLCJVPGDK-INIZCTEOSA-N 1 1 294.373 3.995 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000468392431 1128005968 /nfs/dbraw/zinc/00/59/68/1128005968.db2.gz LKBOIBGYVPUZIA-PNESKVBLSA-N 1 1 288.357 3.979 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@H]1CCc2ccc(Cl)cc21 ZINC000541271163 1128015094 /nfs/dbraw/zinc/01/50/94/1128015094.db2.gz JZVHAMPQJPXXSP-ABAIWWIYSA-N 1 1 262.784 3.809 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCc2ccc(Cl)cc21 ZINC000541271163 1128015097 /nfs/dbraw/zinc/01/50/97/1128015097.db2.gz JZVHAMPQJPXXSP-ABAIWWIYSA-N 1 1 262.784 3.809 20 30 CHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000541325070 1128018437 /nfs/dbraw/zinc/01/84/37/1128018437.db2.gz CYQVEOWNNHMHEU-CYBMUJFWSA-N 1 1 298.361 3.751 20 30 CHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000468943740 1128028711 /nfs/dbraw/zinc/02/87/11/1128028711.db2.gz KAAXUTHRCFBUKR-OAHLLOKOSA-N 1 1 298.336 3.826 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1C#N ZINC000468952631 1128028890 /nfs/dbraw/zinc/02/88/90/1128028890.db2.gz LIXQAEFLLVGUJV-PBFPGSCMSA-N 1 1 272.367 3.850 20 30 CHEDMO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)c1ccccc1 ZINC000469194921 1128038041 /nfs/dbraw/zinc/03/80/41/1128038041.db2.gz JRZSVMOPSVFNMR-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469453384 1128043952 /nfs/dbraw/zinc/04/39/52/1128043952.db2.gz YHZGUVDCJJQPME-LBPRGKRZSA-N 1 1 251.320 3.720 20 30 CHEDMO C=C(C)CC[N@H+]1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC001168439522 1128045782 /nfs/dbraw/zinc/04/57/82/1128045782.db2.gz VZPLFXLBLHFYHZ-IBGZPJMESA-N 1 1 286.463 3.939 20 30 CHEDMO C=C(C)CCN1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001168439522 1128045785 /nfs/dbraw/zinc/04/57/85/1128045785.db2.gz VZPLFXLBLHFYHZ-IBGZPJMESA-N 1 1 286.463 3.939 20 30 CHEDMO C=C(C)CCN1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001168439522 1128045789 /nfs/dbraw/zinc/04/57/89/1128045789.db2.gz VZPLFXLBLHFYHZ-IBGZPJMESA-N 1 1 286.463 3.939 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H](C)C1 ZINC000443649811 1128046955 /nfs/dbraw/zinc/04/69/55/1128046955.db2.gz HCTVXQZEJVAZBT-QWHCGFSZSA-N 1 1 260.356 3.565 20 30 CHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245769626 1129224300 /nfs/dbraw/zinc/22/43/00/1129224300.db2.gz RNXKEZFJCGDKCJ-HUUCEWRRSA-N 1 1 274.408 3.845 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542279798 1128061246 /nfs/dbraw/zinc/06/12/46/1128061246.db2.gz MPXSUBUTWSXCIL-KXBFYZLASA-N 1 1 276.383 3.946 20 30 CHEDMO C=CCOCCC[N@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000470790782 1128077756 /nfs/dbraw/zinc/07/77/56/1128077756.db2.gz XFSHSWQYXIBGRD-GJZGRUSLSA-N 1 1 289.419 3.596 20 30 CHEDMO Cc1[nH+]ccn1CCCS[C@@H](C)c1ccc(C#N)cc1 ZINC000271874942 1128074043 /nfs/dbraw/zinc/07/40/43/1128074043.db2.gz YXSJHPLDIXDUSB-ZDUSSCGKSA-N 1 1 285.416 3.948 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000470724294 1128074629 /nfs/dbraw/zinc/07/46/29/1128074629.db2.gz SIAHDJCOVXEYGH-QGZVFWFLSA-N 1 1 259.393 3.725 20 30 CHEDMO C=CCOCCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000470763262 1128076046 /nfs/dbraw/zinc/07/60/46/1128076046.db2.gz CJXRDXKKJFQQSK-QGZVFWFLSA-N 1 1 291.460 3.678 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)cc(C)n1 ZINC000470910229 1128080723 /nfs/dbraw/zinc/08/07/23/1128080723.db2.gz XUVVNGXMHMFEKW-UHFFFAOYSA-N 1 1 296.414 3.977 20 30 CHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCC(C)(C)C#N ZINC000470952065 1128082281 /nfs/dbraw/zinc/08/22/81/1128082281.db2.gz ABOYOUROXTUITC-WDEREUQCSA-N 1 1 262.319 3.589 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943776 1128084568 /nfs/dbraw/zinc/08/45/68/1128084568.db2.gz AHMRJACAQPNWRM-QWHCGFSZSA-N 1 1 273.342 3.843 20 30 CHEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000471022598 1128085465 /nfs/dbraw/zinc/08/54/65/1128085465.db2.gz ODUZWJOTYQPWKK-BEFAXECRSA-N 1 1 292.382 3.630 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492560259 1128103180 /nfs/dbraw/zinc/10/31/80/1128103180.db2.gz OLAPQRYDTKBADQ-LLVKDONJSA-N 1 1 295.224 3.941 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492768424 1128112589 /nfs/dbraw/zinc/11/25/89/1128112589.db2.gz IYZCJGSQBUVIIQ-WDEREUQCSA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ncco1 ZINC000926479443 1128174276 /nfs/dbraw/zinc/17/42/76/1128174276.db2.gz JYOANCIYCPKLOK-ZFWWWQNUSA-N 1 1 269.348 3.760 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)c1cccc(C#N)c1O ZINC000926569180 1128181451 /nfs/dbraw/zinc/18/14/51/1128181451.db2.gz PEPNRCYBTGZPEE-KRWDZBQOSA-N 1 1 295.386 3.517 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494650897 1128183740 /nfs/dbraw/zinc/18/37/40/1128183740.db2.gz DUFBVFNFVGLPBR-GOEBONIOSA-N 1 1 251.414 3.622 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494650900 1128183772 /nfs/dbraw/zinc/18/37/72/1128183772.db2.gz DUFBVFNFVGLPBR-ZBFHGGJFSA-N 1 1 251.414 3.622 20 30 CHEDMO C=CC[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000494637119 1128184200 /nfs/dbraw/zinc/18/42/00/1128184200.db2.gz KFOOXIVLGBPISM-GQCTYLIASA-N 1 1 280.209 3.970 20 30 CHEDMO CC[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(OC)n1 ZINC000926709390 1128189275 /nfs/dbraw/zinc/18/92/75/1128189275.db2.gz BLVSBMCRJWAQFT-AWEZNQCLSA-N 1 1 287.407 3.605 20 30 CHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)cc2ccccc21 ZINC000926873224 1128199155 /nfs/dbraw/zinc/19/91/55/1128199155.db2.gz DHABHRPWHIUKNO-ZDUSSCGKSA-N 1 1 280.371 3.803 20 30 CHEDMO CCc1cc(C[N@H+]2CCCC[C@@H](C)C2)ccc1C#N ZINC001238766523 1131242427 /nfs/dbraw/zinc/24/24/27/1131242427.db2.gz OCZUTRXWZMOCQO-CQSZACIVSA-N 1 1 256.393 3.743 20 30 CHEDMO CCc1cc(C[N@@H+](C)CCc2ccccc2)ccc1C#N ZINC001238767111 1131242498 /nfs/dbraw/zinc/24/24/98/1131242498.db2.gz SBUZXUNHBVMMEJ-UHFFFAOYSA-N 1 1 278.399 3.795 20 30 CHEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000487879147 1128259380 /nfs/dbraw/zinc/25/93/80/1128259380.db2.gz WEYIJKHXEPLUQS-SFHVURJKSA-N 1 1 286.419 3.648 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000494934022 1128212882 /nfs/dbraw/zinc/21/28/82/1128212882.db2.gz UPBKYFVBWRRBGE-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccco1 ZINC000927101789 1128217196 /nfs/dbraw/zinc/21/71/96/1128217196.db2.gz OPDLGSFINVUAGX-HNNXBMFYSA-N 1 1 285.391 3.688 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1snnc1C ZINC000929362443 1128271302 /nfs/dbraw/zinc/27/13/02/1128271302.db2.gz QPIXILUVQMRNQN-CQSZACIVSA-N 1 1 287.432 3.638 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000153448579 1128275976 /nfs/dbraw/zinc/27/59/76/1128275976.db2.gz DMAKFPFLHMWVPN-RDJZCZTQSA-N 1 1 286.419 3.988 20 30 CHEDMO CCc1ccccc1N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000915051935 1128278263 /nfs/dbraw/zinc/27/82/63/1128278263.db2.gz ZYQDTUMQMDFKLL-UHFFFAOYSA-N 1 1 267.376 3.761 20 30 CHEDMO CCOC[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929643385 1128280504 /nfs/dbraw/zinc/28/05/04/1128280504.db2.gz GQNAIYZFUIOICI-INIZCTEOSA-N 1 1 278.440 3.599 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000487908766 1128282839 /nfs/dbraw/zinc/28/28/39/1128282839.db2.gz LZHBUUMXPVUVIY-KRWDZBQOSA-N 1 1 288.460 3.974 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929781729 1128287377 /nfs/dbraw/zinc/28/73/77/1128287377.db2.gz VJDDRWTUQNQQQH-BTTYYORXSA-N 1 1 270.367 3.539 20 30 CHEDMO N#CC1CCC(C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC000929790314 1128288795 /nfs/dbraw/zinc/28/87/95/1128288795.db2.gz ZBLVLHNNFBEZMO-VMBOVVBDSA-N 1 1 254.377 3.763 20 30 CHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCC(=O)OC(C)(C)C ZINC000929829382 1128289582 /nfs/dbraw/zinc/28/95/82/1128289582.db2.gz RYTOYHUJJDOKRF-UHFFFAOYSA-N 1 1 294.439 3.514 20 30 CHEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cncc(C#N)c2)o1 ZINC000929757871 1128285536 /nfs/dbraw/zinc/28/55/36/1128285536.db2.gz BDKONSQGTLAXKQ-SUMWQHHRSA-N 1 1 295.386 3.828 20 30 CHEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cncc(C#N)c2)o1 ZINC000929757871 1128285539 /nfs/dbraw/zinc/28/55/39/1128285539.db2.gz BDKONSQGTLAXKQ-SUMWQHHRSA-N 1 1 295.386 3.828 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cccc(O)c1 ZINC000929777701 1128285951 /nfs/dbraw/zinc/28/59/51/1128285951.db2.gz NIQDZCVLPCQAGB-UHFFFAOYSA-N 1 1 280.371 3.513 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)n1 ZINC000929993068 1128297067 /nfs/dbraw/zinc/29/70/67/1128297067.db2.gz CAQPFOHNVUYFBG-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)n1 ZINC000929993068 1128297070 /nfs/dbraw/zinc/29/70/70/1128297070.db2.gz CAQPFOHNVUYFBG-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C(C)C)C1CCOCC1 ZINC000929993367 1128297324 /nfs/dbraw/zinc/29/73/24/1128297324.db2.gz CQHUDVKUFQQMTK-UHFFFAOYSA-N 1 1 286.419 3.565 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930121822 1128302683 /nfs/dbraw/zinc/30/26/83/1128302683.db2.gz YFMPZGLKCIIZOZ-DQPZFDDXSA-N 1 1 271.408 3.794 20 30 CHEDMO Cc1cccc(C2=CC[N@H+](Cc3cncc(C#N)c3)CC2)c1 ZINC000930170103 1128304375 /nfs/dbraw/zinc/30/43/75/1128304375.db2.gz SMNHJYHSKOSFQM-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO Cc1cccc(C2=CC[N@@H+](Cc3cncc(C#N)c3)CC2)c1 ZINC000930170103 1128304378 /nfs/dbraw/zinc/30/43/78/1128304378.db2.gz SMNHJYHSKOSFQM-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1F ZINC000930244794 1128310348 /nfs/dbraw/zinc/31/03/48/1128310348.db2.gz PLNYVCKYULBZMD-ZIAGYGMSSA-N 1 1 252.377 3.530 20 30 CHEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cccnc2)c2ccccn21 ZINC000762605602 1128311089 /nfs/dbraw/zinc/31/10/89/1128311089.db2.gz RZTVALKNFLWPCB-HJWRWDBZSA-N 1 1 291.354 3.749 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000930316230 1128313648 /nfs/dbraw/zinc/31/36/48/1128313648.db2.gz SJTBRHYKUHXMII-KRWDZBQOSA-N 1 1 291.398 3.560 20 30 CHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930455917 1128319747 /nfs/dbraw/zinc/31/97/47/1128319747.db2.gz RTLZNGSUTMWAHY-DLBZAZTESA-N 1 1 292.467 3.866 20 30 CHEDMO Cc1ccoc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930555132 1128325568 /nfs/dbraw/zinc/32/55/68/1128325568.db2.gz STVLQKQAGZNJHI-UHFFFAOYSA-N 1 1 260.381 3.884 20 30 CHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)Cc2ccccc2O1 ZINC000930556950 1128325604 /nfs/dbraw/zinc/32/56/04/1128325604.db2.gz YMPJAALADWJQOX-QQFBHYJXSA-N 1 1 284.403 3.599 20 30 CHEDMO CCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272330484 1128326593 /nfs/dbraw/zinc/32/65/93/1128326593.db2.gz WJQZBRQWZDMEDN-AWEZNQCLSA-N 1 1 296.418 3.579 20 30 CHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000930755069 1128334259 /nfs/dbraw/zinc/33/42/59/1128334259.db2.gz WAXDHYQEHNQIJV-GOSISDBHSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001168498053 1128335381 /nfs/dbraw/zinc/33/53/81/1128335381.db2.gz QABARKXYMXXPBJ-ZFZWDLNGSA-N 1 1 272.367 3.523 20 30 CHEDMO CCc1onc(C)c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000930764033 1128333328 /nfs/dbraw/zinc/33/33/28/1128333328.db2.gz ISMOROHZFVBAJF-ZDUSSCGKSA-N 1 1 283.375 3.610 20 30 CHEDMO CCc1onc(C)c1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000930764033 1128333331 /nfs/dbraw/zinc/33/33/31/1128333331.db2.gz ISMOROHZFVBAJF-ZDUSSCGKSA-N 1 1 283.375 3.610 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000930823713 1128336397 /nfs/dbraw/zinc/33/63/97/1128336397.db2.gz SZRQQLYOXVVIJB-MRXNPFEDSA-N 1 1 298.430 3.566 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000930811353 1128336481 /nfs/dbraw/zinc/33/64/81/1128336481.db2.gz MTLPNGSKPXOOPI-PKOBYXMFSA-N 1 1 298.430 3.566 20 30 CHEDMO C#CC1(O)CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000931144825 1128349738 /nfs/dbraw/zinc/34/97/38/1128349738.db2.gz GRTDAOPQXRPULY-LLVKDONJSA-N 1 1 298.213 3.515 20 30 CHEDMO C#CC1(O)CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000931144826 1128349776 /nfs/dbraw/zinc/34/97/76/1128349776.db2.gz GRTDAOPQXRPULY-NSHDSACASA-N 1 1 298.213 3.515 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371757 1128358225 /nfs/dbraw/zinc/35/82/25/1128358225.db2.gz FWCXOBDTMUEPKN-KBPBESRZSA-N 1 1 269.392 3.707 20 30 CHEDMO CCOc1cc(C[NH2+][C@@H](C)CC#N)ccc1OCC(C)C ZINC001203521734 1128360982 /nfs/dbraw/zinc/36/09/82/1128360982.db2.gz JQQMBDALLHOUDO-AWEZNQCLSA-N 1 1 290.407 3.512 20 30 CHEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000931467604 1128362677 /nfs/dbraw/zinc/36/26/77/1128362677.db2.gz KVACPFQFFVWYTC-HWMSQKFYSA-N 1 1 298.430 3.514 20 30 CHEDMO C[N@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCC[C@H]1C#N ZINC000931473624 1128363887 /nfs/dbraw/zinc/36/38/87/1128363887.db2.gz BDSNQIZMXLASIX-ZJIFWQFVSA-N 1 1 290.357 3.659 20 30 CHEDMO C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCC[C@H]1C#N ZINC000931473624 1128363893 /nfs/dbraw/zinc/36/38/93/1128363893.db2.gz BDSNQIZMXLASIX-ZJIFWQFVSA-N 1 1 290.357 3.659 20 30 CHEDMO C=CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931798956 1128381851 /nfs/dbraw/zinc/38/18/51/1128381851.db2.gz HJHPGPFPPFLNIS-INIZCTEOSA-N 1 1 287.794 3.587 20 30 CHEDMO C=CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931798956 1128381855 /nfs/dbraw/zinc/38/18/55/1128381855.db2.gz HJHPGPFPPFLNIS-INIZCTEOSA-N 1 1 287.794 3.587 20 30 CHEDMO C=CCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931803850 1128382352 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CC[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000472779569 1120174411 /nfs/dbraw/zinc/17/44/11/1120174411.db2.gz TXIFBXMRFDKRHW-BXUZGUMPSA-N 1 1 295.224 3.992 20 30 CHEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000554178500 1120154925 /nfs/dbraw/zinc/15/49/25/1120154925.db2.gz CHLXFECVEZGTKB-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000472747767 1120159070 /nfs/dbraw/zinc/15/90/70/1120159070.db2.gz IPSGVPDHVZDNCK-QZTJIDSGSA-N 1 1 273.420 3.931 20 30 CHEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000302835569 1120164031 /nfs/dbraw/zinc/16/40/31/1120164031.db2.gz VPMCDASBGKJGHV-MSOLQXFVSA-N 1 1 295.361 3.555 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000472778826 1120173170 /nfs/dbraw/zinc/17/31/70/1120173170.db2.gz OLOPBPYKJRIZDS-NVXWUHKLSA-N 1 1 261.409 3.614 20 30 CHEDMO CC[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](C)C#N ZINC000472779569 1120174409 /nfs/dbraw/zinc/17/44/09/1120174409.db2.gz 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C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C#N)c1 ZINC000181992856 1128918745 /nfs/dbraw/zinc/91/87/45/1128918745.db2.gz HHYHLQJHNMDCAP-AWEZNQCLSA-N 1 1 294.402 3.721 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000069085878 1120492250 /nfs/dbraw/zinc/49/22/50/1120492250.db2.gz HMZQXILUMSGBBO-GOSISDBHSA-N 1 1 292.382 3.904 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000069085878 1120492253 /nfs/dbraw/zinc/49/22/53/1120492253.db2.gz HMZQXILUMSGBBO-GOSISDBHSA-N 1 1 292.382 3.904 20 30 CHEDMO C=CC[C@H]1CCCC[C@@H]1Nc1cc(C)[nH+]c(CC)n1 ZINC000709334901 1120520287 /nfs/dbraw/zinc/52/02/87/1120520287.db2.gz PWWBNVLWMYOVAP-KBPBESRZSA-N 1 1 259.397 3.894 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1cc(O)ccc1Cl)c1ccccc1 ZINC001168724048 1120522158 /nfs/dbraw/zinc/52/21/58/1120522158.db2.gz RGWLBEXGRDUCHW-QGZVFWFLSA-N 1 1 285.774 3.900 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)c1cccc(O)c1 ZINC000091975321 1120536933 /nfs/dbraw/zinc/53/69/33/1120536933.db2.gz VYCOLWWUUHETFF-GFCCVEGCSA-N 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ZINC001183428872 1122222687 /nfs/dbraw/zinc/22/26/87/1122222687.db2.gz MCNDKHFEFUOYTC-UHFFFAOYSA-N 1 1 298.817 3.929 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001138665214 1129041028 /nfs/dbraw/zinc/04/10/28/1129041028.db2.gz IJZVLYAGIGHDPD-INIZCTEOSA-N 1 1 293.357 3.873 20 30 CHEDMO C=C(C)CC[N@H+](Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503218914 1122252352 /nfs/dbraw/zinc/25/23/52/1122252352.db2.gz QYZJWHAHJYOZMY-UHFFFAOYSA-N 1 1 289.419 3.882 20 30 CHEDMO C=CCCc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000504284473 1122291430 /nfs/dbraw/zinc/29/14/30/1122291430.db2.gz PUYBBCHMIKYQLS-GASCZTMLSA-N 1 1 286.419 3.617 20 30 CHEDMO CC(C)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000505249947 1122352342 /nfs/dbraw/zinc/35/23/42/1122352342.db2.gz XPALTPJYNQRHKK-LBPRGKRZSA-N 1 1 260.356 3.706 20 30 CHEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)ccc1C#N ZINC000430093515 1122402592 /nfs/dbraw/zinc/40/25/92/1122402592.db2.gz FWCSWBJLIDWGJY-QGZVFWFLSA-N 1 1 268.404 3.877 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000430096286 1122402960 /nfs/dbraw/zinc/40/29/60/1122402960.db2.gz OXRZCHFUDVOROJ-CVEARBPZSA-N 1 1 293.357 3.729 20 30 CHEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1OC ZINC000775073889 1122417356 /nfs/dbraw/zinc/41/73/56/1122417356.db2.gz BFESVARBKMUSAJ-INIZCTEOSA-N 1 1 298.361 3.947 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@H](c2ccccn2)C2CCC2)CC1 ZINC000924985683 1122418899 /nfs/dbraw/zinc/41/88/99/1122418899.db2.gz IUEOKKNLHDZBBE-IBGZPJMESA-N 1 1 299.462 3.553 20 30 CHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000435280596 1122452688 /nfs/dbraw/zinc/45/26/88/1122452688.db2.gz SZQZDTDQLYWXKU-GOSISDBHSA-N 1 1 299.393 3.865 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000775179826 1122467373 /nfs/dbraw/zinc/46/73/73/1122467373.db2.gz SDXAFOSKFXBPJD-HNNXBMFYSA-N 1 1 279.383 3.816 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000775183036 1122471359 /nfs/dbraw/zinc/47/13/59/1122471359.db2.gz 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C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000425533414 1122544404 /nfs/dbraw/zinc/54/44/04/1122544404.db2.gz KTKBFYJWZXTNLJ-HNNXBMFYSA-N 1 1 292.382 3.824 20 30 CHEDMO CC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425529625 1122544752 /nfs/dbraw/zinc/54/47/52/1122544752.db2.gz CFNJJLFKDGBRII-CQSZACIVSA-N 1 1 292.382 3.954 20 30 CHEDMO C#CC[N@H+](CCCC(C)(F)F)Cc1ccc(F)cc1 ZINC001190708892 1122551958 /nfs/dbraw/zinc/55/19/58/1122551958.db2.gz YHVMUSRSQCOXTO-UHFFFAOYSA-N 1 1 269.310 3.696 20 30 CHEDMO C=CC[N@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCCCC1 ZINC001190984729 1122563285 /nfs/dbraw/zinc/56/32/85/1122563285.db2.gz LJUICDAKEGVMGV-LJQANCHMSA-N 1 1 298.430 3.660 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c2ccsc21 ZINC000664571848 1122568167 /nfs/dbraw/zinc/56/81/67/1122568167.db2.gz KBJNEHYLSBWPJC-TXEJJXNPSA-N 1 1 256.374 3.984 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC001191164863 1122578763 /nfs/dbraw/zinc/57/87/63/1122578763.db2.gz 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C=CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC1 ZINC001192516352 1122650210 /nfs/dbraw/zinc/65/02/10/1122650210.db2.gz WUZFVWOEAQSCMO-UHFFFAOYSA-N 1 1 287.403 3.792 20 30 CHEDMO CCc1cccc(OCC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000506135145 1122657629 /nfs/dbraw/zinc/65/76/29/1122657629.db2.gz KQGMENMNYMBDSC-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C=CC[N@@H+](Cc1c(Cl)cnn1C)CC1CCCCC1 ZINC000438118752 1122676902 /nfs/dbraw/zinc/67/69/02/1122676902.db2.gz IIOKTLWGWHYCFZ-UHFFFAOYSA-N 1 1 281.831 3.642 20 30 CHEDMO C=CC[N@H+](Cc1c(Cl)cnn1C)CC1CCCCC1 ZINC000438118752 1122676904 /nfs/dbraw/zinc/67/69/04/1122676904.db2.gz IIOKTLWGWHYCFZ-UHFFFAOYSA-N 1 1 281.831 3.642 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138687448 1129071249 /nfs/dbraw/zinc/07/12/49/1129071249.db2.gz GEJSRCGNYGXADU-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO CC1(C)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001193430441 1122691659 /nfs/dbraw/zinc/69/16/59/1122691659.db2.gz JIOQDVRQLKCETH-UHFFFAOYSA-N 1 1 261.796 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C=C[C@H]1CCCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000426554172 1122820013 /nfs/dbraw/zinc/82/00/13/1122820013.db2.gz GMEKSZPRAXIOOG-HNNXBMFYSA-N 1 1 258.340 3.848 20 30 CHEDMO CCCCCCCCCOC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001194919914 1122822620 /nfs/dbraw/zinc/82/26/20/1122822620.db2.gz NECZNNVNNUBCEN-HNNXBMFYSA-N 1 1 284.444 3.557 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000426572181 1122825607 /nfs/dbraw/zinc/82/56/07/1122825607.db2.gz ZLRJEPUKAHMYJU-GXTWGEPZSA-N 1 1 278.421 3.535 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnc([C@H]2CCCO2)s1 ZINC000426572181 1122825611 /nfs/dbraw/zinc/82/56/11/1122825611.db2.gz ZLRJEPUKAHMYJU-GXTWGEPZSA-N 1 1 278.421 3.535 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC001195084684 1122840808 /nfs/dbraw/zinc/84/08/08/1122840808.db2.gz WLICDOCUWKVOFB-INIZCTEOSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCCCN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001195084684 1122840815 /nfs/dbraw/zinc/84/08/15/1122840815.db2.gz WLICDOCUWKVOFB-INIZCTEOSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCCCN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001195084684 1122840824 /nfs/dbraw/zinc/84/08/24/1122840824.db2.gz WLICDOCUWKVOFB-INIZCTEOSA-N 1 1 254.462 3.761 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000775639219 1122844488 /nfs/dbraw/zinc/84/44/88/1122844488.db2.gz OHGDAEQLAOGYQI-SJORKVTESA-N 1 1 277.383 3.680 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)o1 ZINC001203300521 1122854942 /nfs/dbraw/zinc/85/49/42/1122854942.db2.gz MPFSMLRNXZIJIZ-KRWDZBQOSA-N 1 1 296.370 3.503 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2CC(C)C)C1 ZINC001195557372 1122874166 /nfs/dbraw/zinc/87/41/66/1122874166.db2.gz DWRBVZPUDJSHQA-MRXNPFEDSA-N 1 1 255.405 3.730 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC001195946108 1122899751 /nfs/dbraw/zinc/89/97/51/1122899751.db2.gz HAUAWCLZVPVLAC-MRXNPFEDSA-N 1 1 286.419 3.530 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1CC(C)C)[C@H](C)COC ZINC001196048040 1122904039 /nfs/dbraw/zinc/90/40/39/1122904039.db2.gz 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COc1ccc(C#N)cc1C[N@H+]1CCc2ccsc2[C@@H]1C ZINC001197431771 1122957059 /nfs/dbraw/zinc/95/70/59/1122957059.db2.gz JRJRSDCZYZURFX-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO C=C(C)[C@@H]([NH2+]C[C@@H](F)CC)c1ccc(F)c(F)c1 ZINC000440501026 1122958844 /nfs/dbraw/zinc/95/88/44/1122958844.db2.gz CYQPUTWYIFWWQY-SMDDNHRTSA-N 1 1 257.299 3.920 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC001197701860 1122966375 /nfs/dbraw/zinc/96/63/75/1122966375.db2.gz PAYYZNKGQCQRST-CYBMUJFWSA-N 1 1 292.220 3.603 20 30 CHEDMO CC[N@@H+](C/C(C)=C\c1ccccc1COC)C[C@@H](C)C#N ZINC000507586221 1122967627 /nfs/dbraw/zinc/96/76/27/1122967627.db2.gz VWINIQFGNVABGA-IZNAZMGOSA-N 1 1 286.419 3.718 20 30 CHEDMO CC[N@H+](C/C(C)=C\c1ccccc1COC)C[C@@H](C)C#N ZINC000507586221 1122967629 /nfs/dbraw/zinc/96/76/29/1122967629.db2.gz VWINIQFGNVABGA-IZNAZMGOSA-N 1 1 286.419 3.718 20 30 CHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000775785142 1122968497 /nfs/dbraw/zinc/96/84/97/1122968497.db2.gz KADLTXXYHXWVPJ-SWLSCSKDSA-N 1 1 292.810 3.863 20 30 CHEDMO C#CC[N@H+](CC(=O)Nc1ccc2ccccc2c1)C(C)(C)C ZINC001197938027 1122974660 /nfs/dbraw/zinc/97/46/60/1122974660.db2.gz VVIOXXPWFQNPIB-UHFFFAOYSA-N 1 1 294.398 3.512 20 30 CHEDMO C#CC[N@@H+](CC(=O)Nc1ccc2ccccc2c1)C(C)(C)C ZINC001197938027 1122974664 /nfs/dbraw/zinc/97/46/64/1122974664.db2.gz VVIOXXPWFQNPIB-UHFFFAOYSA-N 1 1 294.398 3.512 20 30 CHEDMO C#CC[N@H+](CCOC(C)(C)C)[C@@H]1CCCc2ccccc21 ZINC001198104787 1122982093 /nfs/dbraw/zinc/98/20/93/1122982093.db2.gz RUJPFNJNNDLABX-GOSISDBHSA-N 1 1 285.431 3.814 20 30 CHEDMO CCCCCCCCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC001198202105 1122982527 /nfs/dbraw/zinc/98/25/27/1122982527.db2.gz JDXAVMLSDASLIT-QGZVFWFLSA-N 1 1 293.455 3.544 20 30 CHEDMO CCCCCCCCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC001198202105 1122982529 /nfs/dbraw/zinc/98/25/29/1122982529.db2.gz JDXAVMLSDASLIT-QGZVFWFLSA-N 1 1 293.455 3.544 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1CCN(C)Cc1ccccc1 ZINC001198414124 1122990858 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CCC1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000049024133 1123110720 /nfs/dbraw/zinc/11/07/20/1123110720.db2.gz MJJYVNIMVKSTQZ-UHFFFAOYSA-N 1 1 256.393 3.959 20 30 CHEDMO C=CCCCCC[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000441450381 1123128625 /nfs/dbraw/zinc/12/86/25/1123128625.db2.gz RCYOXBMYSQUMCR-UHFFFAOYSA-N 1 1 273.420 3.842 20 30 CHEDMO C=CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000441449731 1123128717 /nfs/dbraw/zinc/12/87/17/1123128717.db2.gz OKSDCROYILQYKD-WBVHZDCISA-N 1 1 259.393 3.723 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](CCCc1ccccc1)CC2 ZINC001201654102 1123137037 /nfs/dbraw/zinc/13/70/37/1123137037.db2.gz ARLFZIIGBTYZEU-UHFFFAOYSA-N 1 1 276.383 3.549 20 30 CHEDMO CCCCCCC[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001201761432 1123147534 /nfs/dbraw/zinc/14/75/34/1123147534.db2.gz FBRGVXOEKBXACJ-CYBMUJFWSA-N 1 1 281.362 3.736 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001201762018 1123148513 /nfs/dbraw/zinc/14/85/13/1123148513.db2.gz ZZTYGCULUOPKPV-UHFFFAOYSA-N 1 1 293.430 3.703 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001201797971 1123150154 /nfs/dbraw/zinc/15/01/54/1123150154.db2.gz JNMBPOIHKIYNOE-INIZCTEOSA-N 1 1 276.424 3.814 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201776719 1123150982 /nfs/dbraw/zinc/15/09/82/1123150982.db2.gz IVSZJGPTRKJXCJ-ZWKOTPCHSA-N 1 1 295.467 3.617 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@](F)(CO)CC1 ZINC001201838644 1123154209 /nfs/dbraw/zinc/15/42/09/1123154209.db2.gz ALFLFHBMJVSMQN-MRXNPFEDSA-N 1 1 273.436 3.924 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001201839715 1123154766 /nfs/dbraw/zinc/15/47/66/1123154766.db2.gz PYJCJWZPINTMGF-KGLIPLIRSA-N 1 1 295.389 3.840 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001201840257 1123155075 /nfs/dbraw/zinc/15/50/75/1123155075.db2.gz XKHWEHKDNNAIBY-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001201874862 1123157042 /nfs/dbraw/zinc/15/70/42/1123157042.db2.gz JRAXPLGUTVBXEZ-KRWDZBQOSA-N 1 1 282.472 3.680 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001202095658 1123174490 /nfs/dbraw/zinc/17/44/90/1123174490.db2.gz BYKUNRVCVWACEQ-INIZCTEOSA-N 1 1 286.419 3.838 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000054183226 1123180014 /nfs/dbraw/zinc/18/00/14/1123180014.db2.gz NMYZQWYKJUJFCU-INIZCTEOSA-N 1 1 274.408 3.893 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000614600422 1123180311 /nfs/dbraw/zinc/18/03/11/1123180311.db2.gz IRNLJINEDLLKPU-NVXWUHKLSA-N 1 1 268.404 3.862 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2cccs2)n1 ZINC000061758720 1123185051 /nfs/dbraw/zinc/18/50/51/1123185051.db2.gz BVSGSPXJWJXDRC-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2cccs2)n1 ZINC000061758720 1123185055 /nfs/dbraw/zinc/18/50/55/1123185055.db2.gz BVSGSPXJWJXDRC-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO Cc1cc(C#N)cc(C)c1CNc1ccc2[nH]c[nH+]c2c1 ZINC001202349747 1123197111 /nfs/dbraw/zinc/19/71/11/1123197111.db2.gz 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253.345 3.586 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000862445417 1123810850 /nfs/dbraw/zinc/81/08/50/1123810850.db2.gz SRCXWWYCBCCOCU-LBPRGKRZSA-N 1 1 288.441 3.717 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000862445234 1123811231 /nfs/dbraw/zinc/81/12/31/1123811231.db2.gz OUESBJQGVYTKGO-AWEZNQCLSA-N 1 1 253.345 3.586 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000862447332 1123811664 /nfs/dbraw/zinc/81/16/64/1123811664.db2.gz LRTVVGOGTNDLGM-SNVBAGLBSA-N 1 1 273.323 3.612 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000186292170 1123831832 /nfs/dbraw/zinc/83/18/32/1123831832.db2.gz XCLRHRPHQRNHFE-CQSZACIVSA-N 1 1 280.371 3.765 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1oc(CCC)nc1C)c1ccccc1 ZINC000794464316 1123834382 /nfs/dbraw/zinc/83/43/82/1123834382.db2.gz YVUINVUPZXNYCP-INIZCTEOSA-N 1 1 282.387 3.790 20 30 CHEDMO C#CCCOc1ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)cc1 ZINC000763645380 1129148484 /nfs/dbraw/zinc/14/84/84/1129148484.db2.gz 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282.225 3.766 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000738881393 1129399443 /nfs/dbraw/zinc/39/94/43/1129399443.db2.gz IBMMQCUTDOHDPX-ZDUSSCGKSA-N 1 1 282.225 3.766 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000740875898 1129422166 /nfs/dbraw/zinc/42/21/66/1129422166.db2.gz KZYBEQZPBFONKA-KZNAEPCWSA-N 1 1 296.499 3.530 20 30 CHEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093704729 1129427241 /nfs/dbraw/zinc/42/72/41/1129427241.db2.gz OWYORRDPOSIGBV-HOTGVXAUSA-N 1 1 286.419 3.990 20 30 CHEDMO C#CC[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCCC1 ZINC000093819753 1129427921 /nfs/dbraw/zinc/42/79/21/1129427921.db2.gz GCTLZGUXMDCKOY-UHFFFAOYSA-N 1 1 296.414 3.747 20 30 CHEDMO C=C(C)CCc1noc(C[N@@H+](C)CCCCCC)n1 ZINC000795768264 1129447502 /nfs/dbraw/zinc/44/75/02/1129447502.db2.gz LPGMPNYTMYEXIP-UHFFFAOYSA-N 1 1 265.401 3.590 20 30 CHEDMO C=C(C)CCc1noc(C[N@H+](C)CCCCCC)n1 ZINC000795768264 1129447504 /nfs/dbraw/zinc/44/75/04/1129447504.db2.gz 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ZINC000746156464 1129627475 /nfs/dbraw/zinc/62/74/75/1129627475.db2.gz KRVAFBPHVGEYCE-INIZCTEOSA-N 1 1 279.383 3.892 20 30 CHEDMO C=CCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000649244647 1129639191 /nfs/dbraw/zinc/63/91/91/1129639191.db2.gz OHOWLPAHACKLQF-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO CC[C@H](C#N)c1ccc(-c2c[nH+]c(N)cc2C)cc1 ZINC001242090692 1129656338 /nfs/dbraw/zinc/65/63/38/1129656338.db2.gz QYZYQSHDULITGQ-GFCCVEGCSA-N 1 1 251.333 3.656 20 30 CHEDMO CCCCCCCC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000746462854 1129668125 /nfs/dbraw/zinc/66/81/25/1129668125.db2.gz PXLDVAVJTONAOW-INIZCTEOSA-N 1 1 254.462 3.619 20 30 CHEDMO CCCCCCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC001168979077 1129687257 /nfs/dbraw/zinc/68/72/57/1129687257.db2.gz AJHIOMZWFTUIGN-AWEZNQCLSA-N 1 1 271.445 3.913 20 30 CHEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001169084300 1129698589 /nfs/dbraw/zinc/69/85/89/1129698589.db2.gz JEWQIZFJBNZQGD-MSOLQXFVSA-N 1 1 270.420 3.879 20 30 CHEDMO C#CCCCCCC[N@H+](CCC)CC(=O)OC(C)(C)C ZINC001169090043 1129699078 /nfs/dbraw/zinc/69/90/78/1129699078.db2.gz DBSOSYVIECNPHD-UHFFFAOYSA-N 1 1 281.440 3.624 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC001169124699 1129701415 /nfs/dbraw/zinc/70/14/15/1129701415.db2.gz SGKYGYHMQVQZQX-ZJPYXAASSA-N 1 1 270.420 3.519 20 30 CHEDMO CCCCCCC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000796429073 1129710736 /nfs/dbraw/zinc/71/07/36/1129710736.db2.gz NERWOHTYOABASV-CVEARBPZSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000796429073 1129710737 /nfs/dbraw/zinc/71/07/37/1129710737.db2.gz NERWOHTYOABASV-CVEARBPZSA-N 1 1 252.446 3.515 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000796431371 1129714704 /nfs/dbraw/zinc/71/47/04/1129714704.db2.gz XKRWQRCULXIIMQ-IAGOWNOFSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCCCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000796431371 1129714705 /nfs/dbraw/zinc/71/47/05/1129714705.db2.gz XKRWQRCULXIIMQ-IAGOWNOFSA-N 1 1 266.473 3.906 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001169715088 1129750503 /nfs/dbraw/zinc/75/05/03/1129750503.db2.gz GSQQWNJLGPDAEK-WBVHZDCISA-N 1 1 259.368 3.667 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001169715088 1129750506 /nfs/dbraw/zinc/75/05/06/1129750506.db2.gz GSQQWNJLGPDAEK-WBVHZDCISA-N 1 1 259.368 3.667 20 30 CHEDMO CCC#C[C@H](C)[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC001169715085 1129750634 /nfs/dbraw/zinc/75/06/34/1129750634.db2.gz GSQQWNJLGPDAEK-DOTOQJQBSA-N 1 1 259.368 3.667 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC001169715085 1129750639 /nfs/dbraw/zinc/75/06/39/1129750639.db2.gz GSQQWNJLGPDAEK-DOTOQJQBSA-N 1 1 259.368 3.667 20 30 CHEDMO C=CC[N@H+](C)CCN(CC)[C@@H](CC)c1ccc(F)cc1F ZINC001169832345 1129757986 /nfs/dbraw/zinc/75/79/86/1129757986.db2.gz FWHLMHQXUHYGRX-KRWDZBQOSA-N 1 1 296.405 3.856 20 30 CHEDMO C=CCN(C)CC[N@@H+](CC)[C@@H](CC)c1ccc(F)cc1F ZINC001169832345 1129757990 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CHEDMO COc1ccc2oc(C[N@@H+](CCC#N)CC(C)C)cc2c1 ZINC000768153914 1129836870 /nfs/dbraw/zinc/83/68/70/1129836870.db2.gz PTQDPBDOFFFIKO-UHFFFAOYSA-N 1 1 286.375 3.813 20 30 CHEDMO C#CCOc1ccccc1C[N@@H+](CC)Cc1cccs1 ZINC000768198351 1129844822 /nfs/dbraw/zinc/84/48/22/1129844822.db2.gz SNRCLFCBTVXPRO-UHFFFAOYSA-N 1 1 285.412 3.782 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000768269989 1129848286 /nfs/dbraw/zinc/84/82/86/1129848286.db2.gz UETJCEUKFCHXOB-OAHLLOKOSA-N 1 1 259.393 3.565 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)CCC)cc1 ZINC000768337915 1129852728 /nfs/dbraw/zinc/85/27/28/1129852728.db2.gz JGSWIPQXDVRYBZ-HNNXBMFYSA-N 1 1 259.393 3.709 20 30 CHEDMO C=CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)C(C)C ZINC000768547010 1129863867 /nfs/dbraw/zinc/86/38/67/1129863867.db2.gz GUDQCDYCTVNZSQ-UHFFFAOYSA-N 1 1 292.452 3.619 20 30 CHEDMO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000768547875 1129864535 /nfs/dbraw/zinc/86/45/35/1129864535.db2.gz SYKRLBVZHAHCIL-VQHVLOKHSA-N 1 1 260.337 3.504 20 30 CHEDMO C#CCOc1ccccc1C[N@H+](Cc1ccccn1)C(C)C ZINC000768925356 1129881064 /nfs/dbraw/zinc/88/10/64/1129881064.db2.gz GKTGBCNTGSAWCV-UHFFFAOYSA-N 1 1 294.398 3.504 20 30 CHEDMO COc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(C#N)c1 ZINC001137706678 1131405132 /nfs/dbraw/zinc/40/51/32/1131405132.db2.gz MAJIVTNJCSKFFZ-UHFFFAOYSA-N 1 1 284.403 3.723 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1 ZINC000769315833 1129902051 /nfs/dbraw/zinc/90/20/51/1129902051.db2.gz WQRXSUAUYVUWDW-RHSMWYFYSA-N 1 1 286.419 3.988 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137713166 1131406254 /nfs/dbraw/zinc/40/62/54/1131406254.db2.gz YXPHYVFGFHELJW-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769518783 1129915455 /nfs/dbraw/zinc/91/54/55/1129915455.db2.gz CXLHOWAAKSIVDY-SFHVURJKSA-N 1 1 285.435 3.658 20 30 CHEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769519134 1129915608 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C=CC[C@H]1[N@H+](C[C@@H](O)c2ccccc2)CCCC1(C)C ZINC000769953749 1129931904 /nfs/dbraw/zinc/93/19/04/1129931904.db2.gz PJSBFKOHBVUBNW-IAGOWNOFSA-N 1 1 273.420 3.787 20 30 CHEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCCC1(C)C ZINC000769954014 1129932226 /nfs/dbraw/zinc/93/22/26/1129932226.db2.gz QMTAMEXMELBIFU-ROUUACIJSA-N 1 1 298.430 3.658 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000769977503 1129933764 /nfs/dbraw/zinc/93/37/64/1129933764.db2.gz GSTIKUVICKLTKX-ZDUSSCGKSA-N 1 1 255.386 3.869 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000769978404 1129934073 /nfs/dbraw/zinc/93/40/73/1129934073.db2.gz XYMNMJMPEPYTIR-IYNGYCSASA-N 1 1 292.220 3.806 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000801915995 1129958270 /nfs/dbraw/zinc/95/82/70/1129958270.db2.gz PGZDAUBKINGYSG-MRXNPFEDSA-N 1 1 286.419 3.750 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000801915994 1129958766 /nfs/dbraw/zinc/95/87/66/1129958766.db2.gz PGZDAUBKINGYSG-INIZCTEOSA-N 1 1 286.419 3.750 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000801917827 1129958783 /nfs/dbraw/zinc/95/87/83/1129958783.db2.gz RNDLLFYJXKGYTR-CHWSQXEVSA-N 1 1 292.810 3.794 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000801925087 1129960056 /nfs/dbraw/zinc/96/00/56/1129960056.db2.gz ZEEVJPWLDRRFAT-RDBSUJKOSA-N 1 1 294.826 3.692 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000771476321 1129981763 /nfs/dbraw/zinc/98/17/63/1129981763.db2.gz YNNPSGIWYQYHLI-UHFFFAOYSA-N 1 1 284.875 3.573 20 30 CHEDMO C=C(Cl)CN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000771476321 1129981764 /nfs/dbraw/zinc/98/17/64/1129981764.db2.gz YNNPSGIWYQYHLI-UHFFFAOYSA-N 1 1 284.875 3.573 20 30 CHEDMO C=C(Cl)CN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000771476321 1129981766 /nfs/dbraw/zinc/98/17/66/1129981766.db2.gz YNNPSGIWYQYHLI-UHFFFAOYSA-N 1 1 284.875 3.573 20 30 CHEDMO Cc1cc(C#N)cc(C)c1Cn1cc[nH+]c1C(C)C ZINC000902310132 1129999480 /nfs/dbraw/zinc/99/94/80/1129999480.db2.gz INROEUXVFSKZNC-UHFFFAOYSA-N 1 1 253.349 3.543 20 30 CHEDMO C=CC[C@@H]([NH2+][C@H](C)c1nccs1)c1ccncc1 ZINC000772457606 1130024602 /nfs/dbraw/zinc/02/46/02/1130024602.db2.gz XZPJOUNWJGEYSF-DGCLKSJQSA-N 1 1 259.378 3.506 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902723743 1130044520 /nfs/dbraw/zinc/04/45/20/1130044520.db2.gz TVUJWARFNCSSCQ-MNOVXSKESA-N 1 1 287.313 3.643 20 30 CHEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902753489 1130050959 /nfs/dbraw/zinc/05/09/59/1130050959.db2.gz QFPSNHODEZHNAL-NWDGAFQWSA-N 1 1 299.349 3.513 20 30 CHEDMO CCC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902789339 1130058011 /nfs/dbraw/zinc/05/80/11/1130058011.db2.gz FHHFFLVWLVCZKN-XJKSGUPXSA-N 1 1 280.375 3.540 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC000785998043 1130072330 /nfs/dbraw/zinc/07/23/30/1130072330.db2.gz VULXNGKACWMQOU-GOSISDBHSA-N 1 1 294.398 3.819 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC000785998043 1130072336 /nfs/dbraw/zinc/07/23/36/1130072336.db2.gz VULXNGKACWMQOU-GOSISDBHSA-N 1 1 294.398 3.819 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000786446966 1130097122 /nfs/dbraw/zinc/09/71/22/1130097122.db2.gz SEEZMGKIMQLVAS-ZDUSSCGKSA-N 1 1 271.364 3.614 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1csc(Cl)c1 ZINC000903032691 1130103032 /nfs/dbraw/zinc/10/30/32/1130103032.db2.gz LEVPNJYFMWWPHT-VIFPVBQESA-N 1 1 254.786 3.746 20 30 CHEDMO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903105218 1130113103 /nfs/dbraw/zinc/11/31/03/1130113103.db2.gz AVZXWLIEXDSJPW-AWEZNQCLSA-N 1 1 290.794 3.756 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1C(F)(F)F ZINC000903105918 1130113661 /nfs/dbraw/zinc/11/36/61/1130113661.db2.gz ISWZTWINCPXQNW-VIFPVBQESA-N 1 1 286.272 3.799 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000903108759 1130114375 /nfs/dbraw/zinc/11/43/75/1130114375.db2.gz 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Cc1csc(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC001137292605 1130305957 /nfs/dbraw/zinc/30/59/57/1130305957.db2.gz HSEMEFMYWCSSEY-UHFFFAOYSA-N 1 1 268.813 3.836 20 30 CHEDMO COCC#CC[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000677818944 1130334363 /nfs/dbraw/zinc/33/43/63/1130334363.db2.gz YTKYVLQIZDBBME-NSHDSACASA-N 1 1 286.202 3.636 20 30 CHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2c[nH]nc2C)cc1 ZINC001240522341 1130341801 /nfs/dbraw/zinc/34/18/01/1130341801.db2.gz FKTIHQZOJHONLT-QGZVFWFLSA-N 1 1 267.376 3.708 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2c[nH]nc2C)cc1 ZINC001240522337 1130342339 /nfs/dbraw/zinc/34/23/39/1130342339.db2.gz FKTIHQZOJHONLT-KRWDZBQOSA-N 1 1 267.376 3.708 20 30 CHEDMO C=CC[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C(C)C ZINC000791450396 1130375004 /nfs/dbraw/zinc/37/50/04/1130375004.db2.gz YBBJEZGLTBIZON-LJQANCHMSA-N 1 1 283.415 3.640 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1F ZINC000791566623 1130385535 /nfs/dbraw/zinc/38/55/35/1130385535.db2.gz BHVXZFIKNGKPKT-LJQANCHMSA-N 1 1 299.389 3.937 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(F)c1 ZINC000791566679 1130386218 /nfs/dbraw/zinc/38/62/18/1130386218.db2.gz CONWDZUYVSAXTB-LJQANCHMSA-N 1 1 299.389 3.937 20 30 CHEDMO N#CCC[N@H+](Cc1c[nH]c2ccc(F)cc12)C1CCCC1 ZINC001137339865 1130424961 /nfs/dbraw/zinc/42/49/61/1130424961.db2.gz HPMFBWZCRKDTNK-UHFFFAOYSA-N 1 1 285.366 3.965 20 30 CHEDMO CCCCCCCCCN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000792299926 1130443413 /nfs/dbraw/zinc/44/34/13/1130443413.db2.gz XUDNHHUQXURWBX-QGZVFWFLSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCCC[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000792299926 1130443417 /nfs/dbraw/zinc/44/34/17/1130443417.db2.gz XUDNHHUQXURWBX-QGZVFWFLSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000792299926 1130443421 /nfs/dbraw/zinc/44/34/21/1130443421.db2.gz XUDNHHUQXURWBX-QGZVFWFLSA-N 1 1 298.515 3.514 20 30 CHEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCO[C@H](CC)C1 ZINC001170178081 1130454790 /nfs/dbraw/zinc/45/47/90/1130454790.db2.gz MUGUKVBXSUGOML-IAGOWNOFSA-N 1 1 284.488 3.565 20 30 CHEDMO CCCCCCCCN(CC[NH3+])[C@@H]1CCO[C@H](CC)C1 ZINC001170178081 1130454795 /nfs/dbraw/zinc/45/47/95/1130454795.db2.gz MUGUKVBXSUGOML-IAGOWNOFSA-N 1 1 284.488 3.565 20 30 CHEDMO N#CCOc1ccccc1Nc1ccc2c[nH+]ccc2c1 ZINC001212600379 1130466912 /nfs/dbraw/zinc/46/69/12/1130466912.db2.gz QJAPPGACIVVRCB-UHFFFAOYSA-N 1 1 275.311 3.881 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001170402749 1130490963 /nfs/dbraw/zinc/49/09/63/1130490963.db2.gz APAKCXLIAGJLOO-LXPRWKDFSA-N 1 1 286.394 3.824 20 30 CHEDMO CCCCCCC[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000792939878 1130506649 /nfs/dbraw/zinc/50/66/49/1130506649.db2.gz IEKPEWWRLVPDGB-LJQANCHMSA-N 1 1 288.479 3.816 20 30 CHEDMO C#CCC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000792923810 1130507851 /nfs/dbraw/zinc/50/78/51/1130507851.db2.gz GVEBGDJZKMFECQ-UHFFFAOYSA-N 1 1 281.424 3.741 20 30 CHEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001255175941 1130550180 /nfs/dbraw/zinc/55/01/80/1130550180.db2.gz TZKVRYICECSUGD-IAGOWNOFSA-N 1 1 256.393 3.948 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001255175643 1130552131 /nfs/dbraw/zinc/55/21/31/1130552131.db2.gz SKANNOGKVOGQQM-HIFRSBDPSA-N 1 1 262.784 3.822 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000793394149 1130553346 /nfs/dbraw/zinc/55/33/46/1130553346.db2.gz LCPLIDMRVXNHSS-AWEZNQCLSA-N 1 1 284.403 3.742 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC000827322894 1130555642 /nfs/dbraw/zinc/55/56/42/1130555642.db2.gz BKNHHBQKTGIGNB-ZDUSSCGKSA-N 1 1 283.202 3.574 20 30 CHEDMO CC[C@@H](CC#N)N1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001255178386 1130561072 /nfs/dbraw/zinc/56/10/72/1130561072.db2.gz FSJDRJLHFNBVFS-SFHVURJKSA-N 1 1 291.483 3.513 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000793498033 1130564067 /nfs/dbraw/zinc/56/40/67/1130564067.db2.gz NYPQHDPGGYTRED-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000793498033 1130564070 /nfs/dbraw/zinc/56/40/70/1130564070.db2.gz NYPQHDPGGYTRED-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO CCC[C@@H](C)C(CC)=[NH+]n1cc(Br)cn1 ZINC000752745374 1130606589 /nfs/dbraw/zinc/60/65/89/1130606589.db2.gz AYDWYJPOVXSKRQ-SECBINFHSA-N 1 1 272.190 3.696 20 30 CHEDMO C=CC[N@@H+](Cc1c(Cl)nccc1N(C)C)C(C)(C)C ZINC001234150297 1130612428 /nfs/dbraw/zinc/61/24/28/1130612428.db2.gz HPDCBPYTBAWCRA-UHFFFAOYSA-N 1 1 281.831 3.588 20 30 CHEDMO C=CC[N@H+](Cc1c(Cl)nccc1N(C)C)C(C)(C)C ZINC001234150297 1130612429 /nfs/dbraw/zinc/61/24/29/1130612429.db2.gz HPDCBPYTBAWCRA-UHFFFAOYSA-N 1 1 281.831 3.588 20 30 CHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000811520325 1130615477 /nfs/dbraw/zinc/61/54/77/1130615477.db2.gz NAAHLQJJHSIWNY-HUUCEWRRSA-N 1 1 274.408 3.988 20 30 CHEDMO CC(=NOC/C=C/Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000811669639 1130632725 /nfs/dbraw/zinc/63/27/25/1130632725.db2.gz RPIGFXGHOCUSRC-DMWCDALOSA-N 1 1 292.810 3.654 20 30 CHEDMO C=CC[C@H](CC)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796976248 1130664634 /nfs/dbraw/zinc/66/46/34/1130664634.db2.gz AKXYAGOGCGAADU-GXTWGEPZSA-N 1 1 251.345 3.927 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1OC(C)C ZINC001234720680 1130675328 /nfs/dbraw/zinc/67/53/28/1130675328.db2.gz PIZRNCGQLSJKQG-UHFFFAOYSA-N 1 1 277.408 3.880 20 30 CHEDMO c1ccc(C[N@@H+]2C[C@@H]3C(=NOC4CCC4)CCC[C@@H]3C2)cc1 ZINC000812237198 1130676901 /nfs/dbraw/zinc/67/69/01/1130676901.db2.gz PATNFJLQQNQWNC-AEFFLSMTSA-N 1 1 298.430 3.844 20 30 CHEDMO C=CCCCCCCCCC[N@H+]1CC2CC1(CN)C2 ZINC001235008349 1130703188 /nfs/dbraw/zinc/70/31/88/1130703188.db2.gz TZFJNDKVONICQV-UHFFFAOYSA-N 1 1 264.457 3.716 20 30 CHEDMO C=CCCCCCCCCC[N@@H+]1CC2CC1(CN)C2 ZINC001235008349 1130703196 /nfs/dbraw/zinc/70/31/96/1130703196.db2.gz TZFJNDKVONICQV-UHFFFAOYSA-N 1 1 264.457 3.716 20 30 CHEDMO C=CCCCCCCCCCN1CC2CC1(C[NH3+])C2 ZINC001235008349 1130703200 /nfs/dbraw/zinc/70/32/00/1130703200.db2.gz TZFJNDKVONICQV-UHFFFAOYSA-N 1 1 264.457 3.716 20 30 CHEDMO CCCCCCCCCCCN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027242 1130703320 /nfs/dbraw/zinc/70/33/20/1130703320.db2.gz YWTMZWFCFGDQTJ-DLBZAZTESA-N 1 1 266.473 3.811 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235039867 1130704207 /nfs/dbraw/zinc/70/42/07/1130704207.db2.gz RCPHRQDRVDMGOQ-CQSZACIVSA-N 1 1 297.377 3.946 20 30 CHEDMO CCCCCCCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041514 1130705644 /nfs/dbraw/zinc/70/56/44/1130705644.db2.gz QZSIQFALRQICCF-QGZVFWFLSA-N 1 1 266.473 3.955 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235065619 1130708168 /nfs/dbraw/zinc/70/81/68/1130708168.db2.gz KSDZVIQHJLKVCU-UHFFFAOYSA-N 1 1 285.391 3.833 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000812792623 1130715036 /nfs/dbraw/zinc/71/50/36/1130715036.db2.gz CZOWZXCKQPOVIX-MRXNPFEDSA-N 1 1 273.738 3.943 20 30 CHEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC(C)(C)C ZINC000812794380 1130716970 /nfs/dbraw/zinc/71/69/70/1130716970.db2.gz BDDAGGCVIHLGBT-UHFFFAOYSA-N 1 1 287.451 3.904 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(CC)cc1)c1ccc(F)cc1 ZINC000812794688 1130717352 /nfs/dbraw/zinc/71/73/52/1130717352.db2.gz AZTMMQBDQQIDLK-GOSISDBHSA-N 1 1 267.347 3.852 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cc(C)ccc1C)c1ccc(F)cc1 ZINC000812793730 1130717726 /nfs/dbraw/zinc/71/77/26/1130717726.db2.gz CBOWZGLFLGTHIT-SFHVURJKSA-N 1 1 267.347 3.907 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000812793985 1130718803 /nfs/dbraw/zinc/71/88/03/1130718803.db2.gz MBXCCSRBXKUZRK-SFHVURJKSA-N 1 1 267.347 3.907 20 30 CHEDMO C=CC[N@H+](Cc1cc(OC)ncc1F)C1CCCCC1 ZINC001235325247 1130731936 /nfs/dbraw/zinc/73/19/36/1130731936.db2.gz AYSATHANBNDPMH-UHFFFAOYSA-N 1 1 278.371 3.550 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1cncc(F)c1Cl ZINC001235498909 1130749368 /nfs/dbraw/zinc/74/93/68/1130749368.db2.gz LPKAZHRLQJFJAS-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cncc(F)c1Cl ZINC001235498909 1130749373 /nfs/dbraw/zinc/74/93/73/1130749373.db2.gz LPKAZHRLQJFJAS-UHFFFAOYSA-N 1 1 256.752 3.662 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235526561 1130751135 /nfs/dbraw/zinc/75/11/35/1130751135.db2.gz DMOLHFLSEOGNCH-SJLPKXTDSA-N 1 1 268.404 3.907 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001235525775 1130752111 /nfs/dbraw/zinc/75/21/11/1130752111.db2.gz RGJRBZNHZSEQLE-SJLPKXTDSA-N 1 1 268.404 3.765 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1F)Cc1ccccc1CC#N ZINC001235525583 1130752164 /nfs/dbraw/zinc/75/21/64/1130752164.db2.gz PJVLZSGORIJARF-UHFFFAOYSA-N 1 1 286.325 3.663 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1F)Cc1ccccc1CC#N ZINC001235525583 1130752169 /nfs/dbraw/zinc/75/21/69/1130752169.db2.gz PJVLZSGORIJARF-UHFFFAOYSA-N 1 1 286.325 3.663 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccccc1CC#N ZINC001235527093 1130752240 /nfs/dbraw/zinc/75/22/40/1130752240.db2.gz HUYNHHZAOXNPCQ-UHFFFAOYSA-N 1 1 293.414 3.602 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235656333 1130762788 /nfs/dbraw/zinc/76/27/88/1130762788.db2.gz CIJPPIRFHPAXEA-LLVKDONJSA-N 1 1 264.319 3.601 20 30 CHEDMO CC[N@H+](CCC#N)Cc1c(C)cc(Br)cc1C ZINC001235787048 1130779026 /nfs/dbraw/zinc/77/90/26/1130779026.db2.gz ZFLAMESHCXREHW-UHFFFAOYSA-N 1 1 295.224 3.802 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1c(C)cc(Br)cc1C ZINC001235787048 1130779030 /nfs/dbraw/zinc/77/90/30/1130779030.db2.gz ZFLAMESHCXREHW-UHFFFAOYSA-N 1 1 295.224 3.802 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(F)nc1C ZINC001235814468 1130782767 /nfs/dbraw/zinc/78/27/67/1130782767.db2.gz FLOFTACIRODQAI-UHFFFAOYSA-N 1 1 252.377 3.931 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCNC2(CC2)C1 ZINC001235933831 1130810125 /nfs/dbraw/zinc/81/01/25/1130810125.db2.gz UTZLQSQNSPZSCB-UHFFFAOYSA-N 1 1 252.446 3.565 20 30 CHEDMO CCCCCCCCCCN1CC[NH2+]C2(CC2)C1 ZINC001235933831 1130810131 /nfs/dbraw/zinc/81/01/31/1130810131.db2.gz UTZLQSQNSPZSCB-UHFFFAOYSA-N 1 1 252.446 3.565 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2cnccc21 ZINC000783380595 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C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC001171202718 1131670668 /nfs/dbraw/zinc/67/06/68/1131670668.db2.gz DVWCHPBVUQBMAA-CABCVRRESA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H](C)C1 ZINC001171202719 1131671181 /nfs/dbraw/zinc/67/11/81/1131671181.db2.gz DVWCHPBVUQBMAA-GJZGRUSLSA-N 1 1 256.393 3.611 20 30 CHEDMO CCC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H](C)CC ZINC001171203013 1131675475 /nfs/dbraw/zinc/67/54/75/1131675475.db2.gz HXZOCTOCNPHYCJ-LSDHHAIUSA-N 1 1 258.409 4.000 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ccc(F)cc2C1 ZINC001171222978 1131706864 /nfs/dbraw/zinc/70/68/64/1131706864.db2.gz KWJUWVFHGKCBAF-CQSZACIVSA-N 1 1 294.373 3.687 20 30 CHEDMO C=CCCCCCCCCC(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001144798223 1131708014 /nfs/dbraw/zinc/70/80/14/1131708014.db2.gz GSQLCLAUGJRISE-QGZVFWFLSA-N 1 1 294.483 3.894 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001171224354 1131708311 /nfs/dbraw/zinc/70/83/11/1131708311.db2.gz QRMXPTIDUIIJCA-KFWWJZLASA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]1c1ccccc1 ZINC001171225113 1131710178 /nfs/dbraw/zinc/71/01/78/1131710178.db2.gz XTYAXJKJOIRYLL-KXBFYZLASA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccc(F)c1 ZINC001171228207 1131711070 /nfs/dbraw/zinc/71/10/70/1131711070.db2.gz FDPFMUNMABDSSL-OAHLLOKOSA-N 1 1 296.389 3.803 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c(F)cccc2C1 ZINC001171228603 1131711132 /nfs/dbraw/zinc/71/11/32/1131711132.db2.gz HDKYUWRQDCTPSZ-CQSZACIVSA-N 1 1 294.373 3.687 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC001171229280 1131711797 /nfs/dbraw/zinc/71/17/97/1131711797.db2.gz LLASDMMPYJPESL-CQSZACIVSA-N 1 1 294.373 3.687 20 30 CHEDMO CCCCCCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810845990 1131718383 /nfs/dbraw/zinc/71/83/83/1131718383.db2.gz HNTYZLCUYYRCHS-JKSUJKDBSA-N 1 1 281.440 3.907 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000847022840 1131771776 /nfs/dbraw/zinc/77/17/76/1131771776.db2.gz YILPVHGKMWXWGX-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000847022840 1131771786 /nfs/dbraw/zinc/77/17/86/1131771786.db2.gz YILPVHGKMWXWGX-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000847023392 1131773187 /nfs/dbraw/zinc/77/31/87/1131773187.db2.gz LYFNYEPSAJOKDB-CYBMUJFWSA-N 1 1 274.433 3.646 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000847023392 1131773191 /nfs/dbraw/zinc/77/31/91/1131773191.db2.gz LYFNYEPSAJOKDB-CYBMUJFWSA-N 1 1 274.433 3.646 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC001140545636 1131787101 /nfs/dbraw/zinc/78/71/01/1131787101.db2.gz HSBKLZBEXKOQPI-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140558688 1131792632 /nfs/dbraw/zinc/79/26/32/1131792632.db2.gz BBEMMGLCMZVNTL-UHFFFAOYSA-N 1 1 279.689 3.856 20 30 CHEDMO C=CC[N@H+]([C@H]1CC[NH2+][C@@H](CCCC)C1)C(C)(C)C ZINC001246921282 1131818043 /nfs/dbraw/zinc/81/80/43/1131818043.db2.gz PDNDSCIZNSZLRC-GJZGRUSLSA-N 1 1 252.446 3.584 20 30 CHEDMO C#CC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCc2ccccc21 ZINC001140621285 1131831765 /nfs/dbraw/zinc/83/17/65/1131831765.db2.gz UINFULOQXUZWEO-LJQANCHMSA-N 1 1 291.394 3.823 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(CO)o1 ZINC001140681842 1131859020 /nfs/dbraw/zinc/85/90/20/1131859020.db2.gz MQIUIQGJWDYLAX-UHFFFAOYSA-N 1 1 253.386 3.564 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)ncc3ccccc32)C1 ZINC001140723992 1131895525 /nfs/dbraw/zinc/89/55/25/1131895525.db2.gz KRQFJIYCRUOUIK-CYBMUJFWSA-N 1 1 284.790 3.733 20 30 CHEDMO CCC(CC)[N@@H+](CC)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754771 1131908153 /nfs/dbraw/zinc/90/81/53/1131908153.db2.gz KPNCGEPODKGMDB-UHFFFAOYSA-N 1 1 266.335 3.847 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000773003513 1131916218 /nfs/dbraw/zinc/91/62/18/1131916218.db2.gz DXNAEQIYBJVWBX-AWEZNQCLSA-N 1 1 265.784 3.859 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000227417190 1131916232 /nfs/dbraw/zinc/91/62/32/1131916232.db2.gz ACWQQVULEMSFIX-DOTOQJQBSA-N 1 1 272.367 3.852 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000773006293 1131917962 /nfs/dbraw/zinc/91/79/62/1131917962.db2.gz WURMDWLFKGPRAI-CYBMUJFWSA-N 1 1 251.757 3.551 20 30 CHEDMO COCC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140811344 1131931654 /nfs/dbraw/zinc/93/16/54/1131931654.db2.gz PTDNTRZTSADGFR-OAHLLOKOSA-N 1 1 292.810 3.603 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1Cl ZINC001140809790 1131931765 /nfs/dbraw/zinc/93/17/65/1131931765.db2.gz HXOGDRFQVIBMIL-DOMZBBRYSA-N 1 1 274.795 3.976 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1Cl ZINC001140808500 1131931876 /nfs/dbraw/zinc/93/18/76/1131931876.db2.gz UAVPZINVDMSQMV-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1Cl ZINC001140808500 1131931881 /nfs/dbraw/zinc/93/18/81/1131931881.db2.gz UAVPZINVDMSQMV-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)C2(CC2)C1 ZINC001140813037 1131934438 /nfs/dbraw/zinc/93/44/38/1131934438.db2.gz TZFGXVYJZIIZMC-LLVKDONJSA-N 1 1 260.768 3.586 20 30 CHEDMO C=CC(NC1(c2cccc(F)c2)CCCCC1)=[NH+]COC ZINC001171407072 1131975290 /nfs/dbraw/zinc/97/52/90/1131975290.db2.gz UCDYAXBQBAJABN-UHFFFAOYSA-N 1 1 290.382 3.763 20 30 CHEDMO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001140966181 1131976152 /nfs/dbraw/zinc/97/61/52/1131976152.db2.gz SRDOHWIRBHFKBM-CQSZACIVSA-N 1 1 298.308 3.629 20 30 CHEDMO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001140966181 1131976155 /nfs/dbraw/zinc/97/61/55/1131976155.db2.gz SRDOHWIRBHFKBM-CQSZACIVSA-N 1 1 298.308 3.629 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(-c2ncccn2)c1)C(C)(C)C ZINC001140984040 1131977831 /nfs/dbraw/zinc/97/78/31/1131977831.db2.gz ZNEJPANTMASEPQ-UHFFFAOYSA-N 1 1 281.403 3.930 20 30 CHEDMO C=CC[N@H+](Cc1c[nH]nc1C(F)(F)F)C1CCCCC1 ZINC001141017960 1131984895 /nfs/dbraw/zinc/98/48/95/1131984895.db2.gz CWTCDHIPAYTIAJ-UHFFFAOYSA-N 1 1 287.329 3.749 20 30 CHEDMO C=C[C@H](CCCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229084078 1132014272 /nfs/dbraw/zinc/01/42/72/1132014272.db2.gz SZXKNNGWOMOLQH-LLVKDONJSA-N 1 1 280.343 3.644 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC001141163943 1132032909 /nfs/dbraw/zinc/03/29/09/1132032909.db2.gz DVDHLYLTOFUQGH-LLVKDONJSA-N 1 1 282.309 3.565 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC001141163943 1132032916 /nfs/dbraw/zinc/03/29/16/1132032916.db2.gz DVDHLYLTOFUQGH-LLVKDONJSA-N 1 1 282.309 3.565 20 30 CHEDMO Cc1ccc(CC[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC001141166589 1132035132 /nfs/dbraw/zinc/03/51/32/1132035132.db2.gz YKNFGRCUHCHXDO-UHFFFAOYSA-N 1 1 282.362 3.680 20 30 CHEDMO C#CC[C@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC001171491937 1132037859 /nfs/dbraw/zinc/03/78/59/1132037859.db2.gz ZIQQCFMPANZNFO-HNNXBMFYSA-N 1 1 265.466 3.788 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC001171491419 1132038771 /nfs/dbraw/zinc/03/87/71/1132038771.db2.gz STTJJJBIWJLGOE-ZDUSSCGKSA-N 1 1 295.398 3.792 20 30 CHEDMO C[N@H+]1CC[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229354634 1132056799 /nfs/dbraw/zinc/05/67/99/1132056799.db2.gz WJFWMYNNXBYDRN-BAOGCXAUSA-N 1 1 298.361 3.659 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(OC)c(OC)cc1F ZINC001141285715 1132070733 /nfs/dbraw/zinc/07/07/33/1132070733.db2.gz ZXRXLTPMMOITNZ-UHFFFAOYSA-N 1 1 281.371 3.631 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC001171637797 1132081585 /nfs/dbraw/zinc/08/15/85/1132081585.db2.gz YTEWIQVTASLXIA-MRXNPFEDSA-N 1 1 298.430 3.790 20 30 CHEDMO CC(C)C[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171741437 1132098532 /nfs/dbraw/zinc/09/85/32/1132098532.db2.gz PNQZTMVZCLENJF-BHIYHBOVSA-N 1 1 299.462 3.567 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C(C)(C)CC)cc1)C1CSC1 ZINC001171867826 1132108180 /nfs/dbraw/zinc/10/81/80/1132108180.db2.gz PBKCGVDTTNQDFN-UHFFFAOYSA-N 1 1 287.472 3.925 20 30 CHEDMO C=CC[N@H+](CCc1ccc2ccccc2c1)[C@H](C)COC ZINC001171917568 1132109791 /nfs/dbraw/zinc/10/97/91/1132109791.db2.gz ZWVGCKPBAUCMFD-MRXNPFEDSA-N 1 1 283.415 3.905 20 30 CHEDMO C=CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115502 /nfs/dbraw/zinc/11/55/02/1132115502.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115505 /nfs/dbraw/zinc/11/55/05/1132115505.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115506 /nfs/dbraw/zinc/11/55/06/1132115506.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115509 /nfs/dbraw/zinc/11/55/09/1132115509.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 1 1 272.436 3.547 20 30 CHEDMO CC1(C)C[C@@H]([NH2+]CCCCC#N)CCN1Cc1ccccc1 ZINC001171972914 1132117914 /nfs/dbraw/zinc/11/79/14/1132117914.db2.gz UHEOQKNJVKZLLP-SFHVURJKSA-N 1 1 299.462 3.713 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1F ZINC001172307606 1132153196 /nfs/dbraw/zinc/15/31/96/1132153196.db2.gz OWVRIIFZGHXQSU-CQSZACIVSA-N 1 1 282.362 3.760 20 30 CHEDMO Cc1cc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172307594 1132153784 /nfs/dbraw/zinc/15/37/84/1132153784.db2.gz GQHPKUPTYJSHCR-FZKQIMNGSA-N 1 1 295.386 3.623 20 30 CHEDMO Cc1cc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172307596 1132154126 /nfs/dbraw/zinc/15/41/26/1132154126.db2.gz GQHPKUPTYJSHCR-UGSOOPFHSA-N 1 1 295.386 3.623 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001172313608 1132154720 /nfs/dbraw/zinc/15/47/20/1132154720.db2.gz DQSZECHXWKIVSX-OLMNPRSZSA-N 1 1 268.404 3.611 20 30 CHEDMO C=CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC001172312140 1132154744 /nfs/dbraw/zinc/15/47/44/1132154744.db2.gz FBMRIXAHSFHEBR-AWEZNQCLSA-N 1 1 256.393 3.776 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccccc2C[C@H]1C ZINC001172310832 1132155343 /nfs/dbraw/zinc/15/53/43/1132155343.db2.gz JXHIZUDOLINRFX-HZPDHXFCSA-N 1 1 290.410 3.936 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@](C)(F)C1 ZINC001172316798 1132157256 /nfs/dbraw/zinc/15/72/56/1132157256.db2.gz XRHJKNFFNRCCPG-RHSMWYFYSA-N 1 1 274.383 3.703 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC12CCCCC2 ZINC001172316980 1132157301 /nfs/dbraw/zinc/15/73/01/1132157301.db2.gz ZLEXKYWXQBHYKA-OAHLLOKOSA-N 1 1 268.404 3.898 20 30 CHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172319750 1132158835 /nfs/dbraw/zinc/15/88/35/1132158835.db2.gz QWHKHVPYOKVIHD-AWEZNQCLSA-N 1 1 292.382 3.514 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCN(C)C1 ZINC001172345794 1132180850 /nfs/dbraw/zinc/18/08/50/1132180850.db2.gz COANLEKBDTTXJV-JKSUJKDBSA-N 1 1 254.462 3.667 20 30 CHEDMO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172348516 1132182078 /nfs/dbraw/zinc/18/20/78/1132182078.db2.gz QIBGDHOLYAWBFP-CABCVRRESA-N 1 1 274.408 3.584 20 30 CHEDMO C#CCC[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138620 1132183347 /nfs/dbraw/zinc/18/33/47/1132183347.db2.gz SFFDLKAMLLTYIZ-HNNXBMFYSA-N 1 1 287.794 3.767 20 30 CHEDMO C#CCC[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138620 1132183352 /nfs/dbraw/zinc/18/33/52/1132183352.db2.gz SFFDLKAMLLTYIZ-HNNXBMFYSA-N 1 1 287.794 3.767 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001172355506 1132184722 /nfs/dbraw/zinc/18/47/22/1132184722.db2.gz BTTWDKLPVAZSJJ-OAGGEKHMSA-N 1 1 273.436 3.778 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cncc2C1 ZINC001172353737 1132184797 /nfs/dbraw/zinc/18/47/97/1132184797.db2.gz AZJOXPGMMJWVFF-HNNXBMFYSA-N 1 1 263.429 3.838 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001172358599 1132186867 /nfs/dbraw/zinc/18/68/67/1132186867.db2.gz QWYPCTMWCUFHOK-VSZNYVQBSA-N 1 1 297.483 3.597 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1 ZINC000839185587 1132187857 /nfs/dbraw/zinc/18/78/57/1132187857.db2.gz XIUJPGXXIQLQNT-CYBMUJFWSA-N 1 1 272.392 3.598 20 30 CHEDMO C=CC[C@@H](CCCC)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230515301 1132188770 /nfs/dbraw/zinc/18/87/70/1132188770.db2.gz AGJVOQORWLDQSG-NSHDSACASA-N 1 1 259.353 3.659 20 30 CHEDMO CCOCC[C@@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172431002 1132207135 /nfs/dbraw/zinc/20/71/35/1132207135.db2.gz KELOXQUPYOATHZ-CQSZACIVSA-N 1 1 294.826 3.871 20 30 CHEDMO CCOCC[C@@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172431002 1132207143 /nfs/dbraw/zinc/20/71/43/1132207143.db2.gz KELOXQUPYOATHZ-CQSZACIVSA-N 1 1 294.826 3.871 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000839540437 1132221750 /nfs/dbraw/zinc/22/17/50/1132221750.db2.gz XWHVRKYMHHBFGB-LBPRGKRZSA-N 1 1 253.773 3.877 20 30 CHEDMO CC(C)COCC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172464453 1132243417 /nfs/dbraw/zinc/24/34/17/1132243417.db2.gz ABFLILICXRLUBU-QGZVFWFLSA-N 1 1 288.435 3.853 20 30 CHEDMO CC(C)COCC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172464453 1132243422 /nfs/dbraw/zinc/24/34/22/1132243422.db2.gz ABFLILICXRLUBU-QGZVFWFLSA-N 1 1 288.435 3.853 20 30 CHEDMO CC(C)COCC[C@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172464450 1132243474 /nfs/dbraw/zinc/24/34/74/1132243474.db2.gz ABFLILICXRLUBU-KRWDZBQOSA-N 1 1 288.435 3.853 20 30 CHEDMO CC(C)COCC[C@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172464450 1132243480 /nfs/dbraw/zinc/24/34/80/1132243480.db2.gz ABFLILICXRLUBU-KRWDZBQOSA-N 1 1 288.435 3.853 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172494452 1132248061 /nfs/dbraw/zinc/24/80/61/1132248061.db2.gz UXJIKQOVBKGPII-LPHOPBHVSA-N 1 1 293.414 3.975 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172498297 1132248143 /nfs/dbraw/zinc/24/81/43/1132248143.db2.gz LHAOIWGOSMVQAW-AWEZNQCLSA-N 1 1 292.386 3.542 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172498297 1132248147 /nfs/dbraw/zinc/24/81/47/1132248147.db2.gz LHAOIWGOSMVQAW-AWEZNQCLSA-N 1 1 292.386 3.542 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172500378 1132249384 /nfs/dbraw/zinc/24/93/84/1132249384.db2.gz NAKJASUUJJRXGJ-PKOBYXMFSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172500378 1132249390 /nfs/dbraw/zinc/24/93/90/1132249390.db2.gz NAKJASUUJJRXGJ-PKOBYXMFSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001172500046 1132249578 /nfs/dbraw/zinc/24/95/78/1132249578.db2.gz JESXNQBLBLKVLT-INIZCTEOSA-N 1 1 286.419 3.750 20 30 CHEDMO COc1cccc([C@H]2CCC[N@H+]2[C@H](C)CCCC#N)c1 ZINC001172499184 1132249846 /nfs/dbraw/zinc/24/98/46/1132249846.db2.gz BSSHQDUKTIMPOW-RHSMWYFYSA-N 1 1 272.392 3.914 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001172499831 1132250472 /nfs/dbraw/zinc/25/04/72/1132250472.db2.gz GBTWKEOKZAUGEV-SJLPKXTDSA-N 1 1 286.419 3.750 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001172503663 1132252462 /nfs/dbraw/zinc/25/24/62/1132252462.db2.gz BGTFKUGECYMXKE-JSGCOSHPSA-N 1 1 294.345 3.500 20 30 CHEDMO CCCCCCCC[C@H](CC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001172505644 1132254513 /nfs/dbraw/zinc/25/45/13/1132254513.db2.gz QZGNSUKWIMSOJP-AWEZNQCLSA-N 1 1 293.459 3.947 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001172505068 1132254722 /nfs/dbraw/zinc/25/47/22/1132254722.db2.gz JIOIKHJRKVYHOO-GVDBMIGSSA-N 1 1 294.483 3.584 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+](C)CC(=O)N(C)C ZINC001172510600 1132257158 /nfs/dbraw/zinc/25/71/58/1132257158.db2.gz GUEKDXCRBQEZTG-HNNXBMFYSA-N 1 1 270.461 3.536 20 30 CHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)CCCC#N)CCC2 ZINC001172509950 1132257602 /nfs/dbraw/zinc/25/76/02/1132257602.db2.gz SWVHUZYVXFMQKQ-CQSZACIVSA-N 1 1 272.392 3.526 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+](C)CC(=O)NCC ZINC001172508720 1132257688 /nfs/dbraw/zinc/25/76/88/1132257688.db2.gz NCJYAGQZRABCDH-HNNXBMFYSA-N 1 1 270.461 3.584 20 30 CHEDMO CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@H](O)CN ZINC001172564527 1132269967 /nfs/dbraw/zinc/26/99/67/1132269967.db2.gz IEDHIYHXCZTFQF-IAGOWNOFSA-N 1 1 286.504 3.595 20 30 CHEDMO C[N@H+]1CCC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200008 1132271851 /nfs/dbraw/zinc/27/18/51/1132271851.db2.gz IZTYKIAVELXKIY-XPFMCRKWSA-N 1 1 294.398 3.910 20 30 CHEDMO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC001142006674 1132292304 /nfs/dbraw/zinc/29/23/04/1132292304.db2.gz CCSAIWIHTJZMHC-RDJZCZTQSA-N 1 1 294.483 3.726 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H](C#N)C2)c(C)c1C ZINC001231494368 1132305485 /nfs/dbraw/zinc/30/54/85/1132305485.db2.gz MTPQKGKSPHETDJ-KRWDZBQOSA-N 1 1 270.420 3.964 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001231523192 1132313774 /nfs/dbraw/zinc/31/37/74/1132313774.db2.gz QYEPIPIICMPHIZ-LLVKDONJSA-N 1 1 298.308 3.537 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001231523192 1132313776 /nfs/dbraw/zinc/31/37/76/1132313776.db2.gz QYEPIPIICMPHIZ-LLVKDONJSA-N 1 1 298.308 3.537 20 30 CHEDMO CCCC[N@@H+](CCC)Cc1ccc(C#N)cc1OC ZINC001231618729 1132325143 /nfs/dbraw/zinc/32/51/43/1132325143.db2.gz TUDKQSJZWGOBBB-UHFFFAOYSA-N 1 1 260.381 3.579 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001231620851 1132326116 /nfs/dbraw/zinc/32/61/16/1132326116.db2.gz FTZNGWMDRVULPW-CVEARBPZSA-N 1 1 281.346 3.523 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001231620851 1132326119 /nfs/dbraw/zinc/32/61/19/1132326119.db2.gz FTZNGWMDRVULPW-CVEARBPZSA-N 1 1 281.346 3.523 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c1 ZINC001231624038 1132328276 /nfs/dbraw/zinc/32/82/76/1132328276.db2.gz DNSWPLCKBQFZFO-QGZVFWFLSA-N 1 1 289.419 3.641 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](C)CC2CC(F)(F)C2)c1 ZINC001231624162 1132328350 /nfs/dbraw/zinc/32/83/50/1132328350.db2.gz FVHCQMYYWXEANF-UHFFFAOYSA-N 1 1 281.346 3.729 20 30 CHEDMO COc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)cc1C(C)C ZINC001231629127 1132331032 /nfs/dbraw/zinc/33/10/32/1132331032.db2.gz QNZGAZGJRZWMHN-GOSISDBHSA-N 1 1 286.419 3.863 20 30 CHEDMO COc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)cc1C(C)C ZINC001231629127 1132331036 /nfs/dbraw/zinc/33/10/36/1132331036.db2.gz QNZGAZGJRZWMHN-GOSISDBHSA-N 1 1 286.419 3.863 20 30 CHEDMO C#Cc1cccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC001231657740 1132336030 /nfs/dbraw/zinc/33/60/30/1132336030.db2.gz MHEQFDBOQVZKOJ-OAHLLOKOSA-N 1 1 261.368 3.787 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](c3cccc(OC)c3)C2)c1 ZINC001231661727 1132339920 /nfs/dbraw/zinc/33/99/20/1132339920.db2.gz YIYCOFPAOMFZMU-IBGZPJMESA-N 1 1 291.394 3.666 20 30 CHEDMO CC[N@H+](CCC#N)[C@@H](C)Cc1c(F)cccc1Cl ZINC001172851513 1132339999 /nfs/dbraw/zinc/33/99/99/1132339999.db2.gz AJWXZOZPTXOVCQ-NSHDSACASA-N 1 1 268.763 3.646 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H](C)Cc1c(F)cccc1Cl ZINC001172851513 1132340007 /nfs/dbraw/zinc/34/00/07/1132340007.db2.gz AJWXZOZPTXOVCQ-NSHDSACASA-N 1 1 268.763 3.646 20 30 CHEDMO C#Cc1cccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001231663865 1132341265 /nfs/dbraw/zinc/34/12/65/1132341265.db2.gz TUMAMSCHPFFSCR-IBGZPJMESA-N 1 1 293.435 3.958 20 30 CHEDMO C#Cc1cccc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)c1 ZINC001231663220 1132341803 /nfs/dbraw/zinc/34/18/03/1132341803.db2.gz OJXMCHYRHQILNB-UHFFFAOYSA-N 1 1 291.394 3.761 20 30 CHEDMO C#Cc1cccc(C[N@H+](CC(=O)c2ccccc2)C(C)C)c1 ZINC001231663220 1132341812 /nfs/dbraw/zinc/34/18/12/1132341812.db2.gz OJXMCHYRHQILNB-UHFFFAOYSA-N 1 1 291.394 3.761 20 30 CHEDMO C#CC[NH+](CC#C)Cc1c(OC(C)C)ccc2ccccc21 ZINC001231739376 1132354422 /nfs/dbraw/zinc/35/44/22/1132354422.db2.gz RMRJFBQJNAQVRS-UHFFFAOYSA-N 1 1 291.394 3.695 20 30 CHEDMO CCCCc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001231783276 1132359104 /nfs/dbraw/zinc/35/91/04/1132359104.db2.gz ZVKWZYSQAPTRFP-QGZVFWFLSA-N 1 1 256.393 3.765 20 30 CHEDMO N#CCC[N@@H+](C1CCCC1)C1CCC2(CCOCC2)CC1 ZINC001173050212 1132380447 /nfs/dbraw/zinc/38/04/47/1132380447.db2.gz TXRPXCWVYCQMML-UHFFFAOYSA-N 1 1 290.451 3.884 20 30 CHEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000841889358 1132400970 /nfs/dbraw/zinc/40/09/70/1132400970.db2.gz CHENXNKGPQMKAX-OWCLPIDISA-N 1 1 285.435 3.513 20 30 CHEDMO C=CC[N@H+](Cc1ncc(Br)cc1C)C(C)(C)C ZINC001232053553 1132413999 /nfs/dbraw/zinc/41/39/99/1132413999.db2.gz YRGAMTKQVNOQMB-UHFFFAOYSA-N 1 1 297.240 3.939 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC001232120072 1132425136 /nfs/dbraw/zinc/42/51/36/1132425136.db2.gz LVTYBRCNEVESHQ-VXGBXAGGSA-N 1 1 262.784 3.832 20 30 CHEDMO C=CC[N@@H+](Cc1cccc2[nH]cnc21)C1CCCCC1 ZINC001142696446 1132431728 /nfs/dbraw/zinc/43/17/28/1132431728.db2.gz MMPZZPYHCFRMAM-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C=CC[N@H+](Cc1cccc2nc[nH]c21)C1CCCCC1 ZINC001142696446 1132431732 /nfs/dbraw/zinc/43/17/32/1132431732.db2.gz MMPZZPYHCFRMAM-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C=CC[N@@H+](Cc1cccc2nc[nH]c21)C1CCCCC1 ZINC001142696446 1132431735 /nfs/dbraw/zinc/43/17/35/1132431735.db2.gz MMPZZPYHCFRMAM-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO CC[C@@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001173266280 1132432970 /nfs/dbraw/zinc/43/29/70/1132432970.db2.gz ZSQUTAOCULOUQR-HTQZYQBOSA-N 1 1 295.242 3.988 20 30 CHEDMO C[N@@H+](Cc1ccccc1)C1CCC(N=NC23CC(C2)C3)CC1 ZINC000842546001 1132439711 /nfs/dbraw/zinc/43/97/11/1132439711.db2.gz BNWRFUBTKDLYIE-UHFFFAOYSA-N 1 1 297.446 3.559 20 30 CHEDMO CCCCCCC[N@H+](CC)Cc1nnc(C)s1 ZINC001232245580 1132442191 /nfs/dbraw/zinc/44/21/91/1132442191.db2.gz HSEOMKIDCMUBQN-UHFFFAOYSA-N 1 1 255.431 3.639 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1nnc(C)s1 ZINC001232245580 1132442194 /nfs/dbraw/zinc/44/21/94/1132442194.db2.gz HSEOMKIDCMUBQN-UHFFFAOYSA-N 1 1 255.431 3.639 20 30 CHEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001173297649 1132445347 /nfs/dbraw/zinc/44/53/47/1132445347.db2.gz ZGBWJVJRKWLZIA-SUMDDJOVSA-N 1 1 298.430 3.980 20 30 CHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001173308892 1132449567 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CC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)s1 ZINC000162746057 261292978 /nfs/dbraw/zinc/29/29/78/261292978.db2.gz WQMJUWULEPFMIP-UHFFFAOYSA-N 1 1 280.780 3.888 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)s1 ZINC000162746057 261292981 /nfs/dbraw/zinc/29/29/81/261292981.db2.gz WQMJUWULEPFMIP-UHFFFAOYSA-N 1 1 280.780 3.888 20 30 CHEDMO CCc1noc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000163197724 261308730 /nfs/dbraw/zinc/30/87/30/261308730.db2.gz AZLLEQQMAUDSFE-UHFFFAOYSA-N 1 1 297.402 3.828 20 30 CHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000301309684 261332968 /nfs/dbraw/zinc/33/29/68/261332968.db2.gz XXFGXNXMBVENOR-IBGZPJMESA-N 1 1 291.398 3.635 20 30 CHEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000301641447 261339224 /nfs/dbraw/zinc/33/92/24/261339224.db2.gz YZWPDTMMEHBDIU-HNAYVOBHSA-N 1 1 291.398 3.633 20 30 CHEDMO Cc1ncsc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000178532165 261747958 /nfs/dbraw/zinc/74/79/58/261747958.db2.gz AXVAMEYDYGCJAU-UHFFFAOYSA-N 1 1 299.443 3.885 20 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263136774 /nfs/dbraw/zinc/13/67/74/263136774.db2.gz DHEJVPFUFKWOET-UHFFFAOYSA-N 1 1 292.382 3.599 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]2CCC[C@H]21 ZINC000293030046 263137281 /nfs/dbraw/zinc/13/72/81/263137281.db2.gz LEYBZOPTVPXAFR-IAGOWNOFSA-N 1 1 284.403 3.599 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)c(C)c1 ZINC000294221614 263157862 /nfs/dbraw/zinc/15/78/62/263157862.db2.gz SKQINADZHHAXSG-BBWFWOEESA-N 1 1 268.404 3.785 20 30 CHEDMO Cc1cccc(C[N@H+](CCCC#N)Cc2ccco2)c1 ZINC000299105501 263230171 /nfs/dbraw/zinc/23/01/71/263230171.db2.gz XGAIKUZPCUDLNU-UHFFFAOYSA-N 1 1 268.360 3.894 20 30 CHEDMO Cc1cccc(C[N@@H+](CCCC#N)Cc2ccco2)c1 ZINC000299105501 263230173 /nfs/dbraw/zinc/23/01/73/263230173.db2.gz XGAIKUZPCUDLNU-UHFFFAOYSA-N 1 1 268.360 3.894 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000299280339 263237405 /nfs/dbraw/zinc/23/74/05/263237405.db2.gz MZQIHNNPQXIEMS-GXTWGEPZSA-N 1 1 262.784 3.822 20 30 CHEDMO 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N#Cc1cccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000558865581 327128013 /nfs/dbraw/zinc/12/80/13/327128013.db2.gz KDPUXZWJSQNFOT-GOSISDBHSA-N 1 1 298.336 3.768 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC000559254744 327150969 /nfs/dbraw/zinc/15/09/69/327150969.db2.gz QJRWTTKIYCKADS-HYVNUMGLSA-N 1 1 254.377 3.558 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000091897600 327186964 /nfs/dbraw/zinc/18/69/64/327186964.db2.gz PRWHOLIIAGANOK-AWEZNQCLSA-N 1 1 272.373 3.722 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091897600 327186965 /nfs/dbraw/zinc/18/69/65/327186965.db2.gz PRWHOLIIAGANOK-AWEZNQCLSA-N 1 1 272.373 3.722 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000093769252 327199953 /nfs/dbraw/zinc/19/99/53/327199953.db2.gz GPRPYOUJRQIKHO-UHFFFAOYSA-N 1 1 290.432 3.545 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000093769252 327199955 /nfs/dbraw/zinc/19/99/55/327199955.db2.gz GPRPYOUJRQIKHO-UHFFFAOYSA-N 1 1 290.432 3.545 20 30 CHEDMO CC[C@H](NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000559983549 327275447 /nfs/dbraw/zinc/27/54/47/327275447.db2.gz JOPODCJORVDSAT-MDZRGWNJSA-N 1 1 299.462 3.862 20 30 CHEDMO CC[C@H](NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000559983549 327275449 /nfs/dbraw/zinc/27/54/49/327275449.db2.gz JOPODCJORVDSAT-MDZRGWNJSA-N 1 1 299.462 3.862 20 30 CHEDMO CCC(CC)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000560583340 327327885 /nfs/dbraw/zinc/32/78/85/327327885.db2.gz GVKKLCBKQPYIPP-UHFFFAOYSA-N 1 1 287.363 3.619 20 30 CHEDMO CCC(CC)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000560583340 327327886 /nfs/dbraw/zinc/32/78/86/327327886.db2.gz GVKKLCBKQPYIPP-UHFFFAOYSA-N 1 1 287.363 3.619 20 30 CHEDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000561018012 327358893 /nfs/dbraw/zinc/35/88/93/327358893.db2.gz QGTCDRPLHXKEHJ-DOTOQJQBSA-N 1 1 256.393 3.934 20 30 CHEDMO N#Cc1csc(C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000562078559 327447398 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N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)o1 ZINC000582573855 329109998 /nfs/dbraw/zinc/10/99/98/329109998.db2.gz XEOMSMLDCJYCCO-IPMKNSEASA-N 1 1 292.382 3.919 20 30 CHEDMO C=CC[N@@H+](Cc1sc(C)nc1C)Cc1cccc(C#N)c1 ZINC000172765269 329138030 /nfs/dbraw/zinc/13/80/30/329138030.db2.gz VQHXPWQTVYTSBX-UHFFFAOYSA-N 1 1 297.427 3.820 20 30 CHEDMO C=CC[N@H+](Cc1sc(C)nc1C)Cc1cccc(C#N)c1 ZINC000172765269 329138032 /nfs/dbraw/zinc/13/80/32/329138032.db2.gz VQHXPWQTVYTSBX-UHFFFAOYSA-N 1 1 297.427 3.820 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC000174339868 329157648 /nfs/dbraw/zinc/15/76/48/329157648.db2.gz WSXKAMIKVNGROF-CVEARBPZSA-N 1 1 292.423 3.803 20 30 CHEDMO N#CCC[C@H](C#N)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000174802180 329161492 /nfs/dbraw/zinc/16/14/92/329161492.db2.gz UYVWNYUSMAGGDD-MRXNPFEDSA-N 1 1 273.424 3.866 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177685319 329187959 /nfs/dbraw/zinc/18/79/59/329187959.db2.gz HRPFWWMUMIZYEJ-GFCCVEGCSA-N 1 1 250.386 3.931 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000179910679 329213576 /nfs/dbraw/zinc/21/35/76/329213576.db2.gz DYIPJDKMNXMIHG-LBPRGKRZSA-N 1 1 268.385 3.567 20 30 CHEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000181254150 329228237 /nfs/dbraw/zinc/22/82/37/329228237.db2.gz QVXOIZISYLRDPU-AWEZNQCLSA-N 1 1 285.391 3.922 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000181254150 329228238 /nfs/dbraw/zinc/22/82/38/329228238.db2.gz QVXOIZISYLRDPU-AWEZNQCLSA-N 1 1 285.391 3.922 20 30 CHEDMO C[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1Br ZINC000181185924 329233192 /nfs/dbraw/zinc/23/31/92/329233192.db2.gz NXKGPMDPBFHMBR-UHFFFAOYSA-N 1 1 293.208 3.553 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000184083724 329255914 /nfs/dbraw/zinc/25/59/14/329255914.db2.gz ODPDPPOJHDRNBP-AWEZNQCLSA-N 1 1 273.767 3.670 20 30 CHEDMO Cc1nc([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)cs1 ZINC000189939387 329390454 /nfs/dbraw/zinc/39/04/54/329390454.db2.gz JMGGRZUWBQTAQO-CQSZACIVSA-N 1 1 277.437 3.918 20 30 CHEDMO C=C1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000267627983 330065005 /nfs/dbraw/zinc/06/50/05/330065005.db2.gz NBABSHHJKDKRKM-UHFFFAOYSA-N 1 1 290.432 3.612 20 30 CHEDMO CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000079917367 330071620 /nfs/dbraw/zinc/07/16/20/330071620.db2.gz ZNNMMTJXZYZBLE-LBPRGKRZSA-N 1 1 285.416 3.989 20 30 CHEDMO CC(C)c1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000079917372 330071707 /nfs/dbraw/zinc/07/17/07/330071707.db2.gz ZNNMMTJXZYZBLE-GFCCVEGCSA-N 1 1 285.416 3.989 20 30 CHEDMO C#CC[C@@H]([NH2+]Cc1nc(C)c(C)s1)c1ccccc1 ZINC000271645975 330081617 /nfs/dbraw/zinc/08/16/17/330081617.db2.gz ABQBMHSVJKXSDH-OAHLLOKOSA-N 1 1 270.401 3.614 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(Cl)n1 ZINC000272227607 330084989 /nfs/dbraw/zinc/08/49/89/330084989.db2.gz DCKXYBNMRCYOKF-UHFFFAOYSA-N 1 1 276.767 3.559 20 30 CHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCSCC#N)C1 ZINC000080629368 330144964 /nfs/dbraw/zinc/14/49/64/330144964.db2.gz DIQPOXVBDDYQPM-BBRMVZONSA-N 1 1 292.423 3.855 20 30 CHEDMO CC[N@@H+](Cc1ccnc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000527535063 330263399 /nfs/dbraw/zinc/26/33/99/330263399.db2.gz USMIUZWUYNDYSS-OAHLLOKOSA-N 1 1 279.387 3.845 20 30 CHEDMO C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945263 330294152 /nfs/dbraw/zinc/29/41/52/330294152.db2.gz FKKDVBUYOULOHV-BEFAXECRSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945263 330294153 /nfs/dbraw/zinc/29/41/53/330294153.db2.gz FKKDVBUYOULOHV-BEFAXECRSA-N 1 1 297.446 3.616 20 30 CHEDMO CC(C)n1cncc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000424155383 330302081 /nfs/dbraw/zinc/30/20/81/330302081.db2.gz LDHJIJPEDZFNRC-KRWDZBQOSA-N 1 1 282.391 3.599 20 30 CHEDMO C/C(Cl)=C/C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000528360643 330322202 /nfs/dbraw/zinc/32/22/02/330322202.db2.gz PMHFUOIJWKSSAA-WQLSENKSSA-N 1 1 260.768 3.665 20 30 CHEDMO C/C(Cl)=C/C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000528360643 330322203 /nfs/dbraw/zinc/32/22/03/330322203.db2.gz PMHFUOIJWKSSAA-WQLSENKSSA-N 1 1 260.768 3.665 20 30 CHEDMO CC(C)[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000533000518 330325010 /nfs/dbraw/zinc/32/50/10/330325010.db2.gz DZNCCYKLFVZTRE-UHFFFAOYSA-N 1 1 298.817 3.997 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000533000518 330325011 /nfs/dbraw/zinc/32/50/11/330325011.db2.gz DZNCCYKLFVZTRE-UHFFFAOYSA-N 1 1 298.817 3.997 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)C(C)C ZINC000533001211 330325098 /nfs/dbraw/zinc/32/50/98/330325098.db2.gz VNAYDAWPECZGBJ-UHFFFAOYSA-N 1 1 284.359 3.570 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)C(C)C ZINC000533001211 330325099 /nfs/dbraw/zinc/32/50/99/330325099.db2.gz VNAYDAWPECZGBJ-UHFFFAOYSA-N 1 1 284.359 3.570 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(CCCC)cc2)nn1 ZINC000424299458 330336766 /nfs/dbraw/zinc/33/67/66/330336766.db2.gz VFWYHMWKROHOLM-OAHLLOKOSA-N 1 1 298.434 3.658 20 30 CHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(CCCC)cc2)nn1 ZINC000424299456 330336786 /nfs/dbraw/zinc/33/67/86/330336786.db2.gz VFWYHMWKROHOLM-HNNXBMFYSA-N 1 1 298.434 3.658 20 30 CHEDMO CCc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000533255631 330354867 /nfs/dbraw/zinc/35/48/67/330354867.db2.gz QVDBQCMMZOYXLF-UHFFFAOYSA-N 1 1 288.391 3.953 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000533255631 330354868 /nfs/dbraw/zinc/35/48/68/330354868.db2.gz QVDBQCMMZOYXLF-UHFFFAOYSA-N 1 1 288.391 3.953 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000533312989 330357129 /nfs/dbraw/zinc/35/71/29/330357129.db2.gz QHGJCFUNFQVDHG-UHFFFAOYSA-N 1 1 294.398 3.761 20 30 CHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCSCC#N ZINC000120627270 330389528 /nfs/dbraw/zinc/38/95/28/330389528.db2.gz WPDOUFWPPGJGCB-QGZVFWFLSA-N 1 1 290.476 3.976 20 30 CHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCSCC#N ZINC000120844910 330392952 /nfs/dbraw/zinc/39/29/52/330392952.db2.gz FDHWPVWDEMOGOW-UONOGXRCSA-N 1 1 254.443 3.534 20 30 CHEDMO C=CC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000120855261 330393035 /nfs/dbraw/zinc/39/30/35/330393035.db2.gz AQKJLFBKMXGHHH-UHFFFAOYSA-N 1 1 264.438 3.839 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(C(F)(F)F)s1 ZINC000432743143 330605398 /nfs/dbraw/zinc/60/53/98/330605398.db2.gz XIRBXFLWJDBJLD-UHFFFAOYSA-N 1 1 261.312 3.941 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445815930 330838284 /nfs/dbraw/zinc/83/82/84/330838284.db2.gz QMPKMWXAVCDFOL-KRWDZBQOSA-N 1 1 297.789 3.848 20 30 CHEDMO CC1(C#N)CCC([NH2+]CC(F)(F)c2ccccc2)CC1 ZINC000449279595 330911380 /nfs/dbraw/zinc/91/13/80/330911380.db2.gz RNJTUQYIRXQVKK-UHFFFAOYSA-N 1 1 278.346 3.840 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1(C#N)CCC1 ZINC000450899407 331005782 /nfs/dbraw/zinc/00/57/82/331005782.db2.gz DHVLRPGQOXXHRA-DOTOQJQBSA-N 1 1 268.404 3.948 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000450978881 331009788 /nfs/dbraw/zinc/00/97/88/331009788.db2.gz GOXNPXOQFNDFAZ-RCCFBDPRSA-N 1 1 280.415 3.948 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCC(F)(F)C1 ZINC000450983233 331010109 /nfs/dbraw/zinc/01/01/09/331010109.db2.gz PCZUSXYVQLPMRX-CYBMUJFWSA-N 1 1 299.361 3.585 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451969826 331048849 /nfs/dbraw/zinc/04/88/49/331048849.db2.gz KZLSBXIULYYIHG-INIZCTEOSA-N 1 1 281.346 3.694 20 30 CHEDMO COCC[N@@H+](CCCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000451972086 331049098 /nfs/dbraw/zinc/04/90/98/331049098.db2.gz FFDLYWITXOEAFG-UHFFFAOYSA-N 1 1 298.789 3.621 20 30 CHEDMO C=CCC1(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000453384902 331126448 /nfs/dbraw/zinc/12/64/48/331126448.db2.gz UGMVICZDZZHMNP-MRXNPFEDSA-N 1 1 296.418 3.620 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000459309644 331275659 /nfs/dbraw/zinc/27/56/59/331275659.db2.gz YVVTYOAFJCQHFN-UHFFFAOYSA-N 1 1 283.799 3.842 20 30 CHEDMO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000459476030 331283727 /nfs/dbraw/zinc/28/37/27/331283727.db2.gz LAYLKGMGQAZPLJ-NILFDRSVSA-N 1 1 260.768 3.609 20 30 CHEDMO Cc1cc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)ccc1C#N ZINC000459637506 331291592 /nfs/dbraw/zinc/29/15/92/331291592.db2.gz XLIYUBWPBZKLIU-GFCCVEGCSA-N 1 1 297.427 3.663 20 30 CHEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)cc1C#N ZINC000459679905 331293963 /nfs/dbraw/zinc/29/39/63/331293963.db2.gz QEZSKNTVNWBMFH-RTBURBONSA-N 1 1 293.414 3.665 20 30 CHEDMO CC#CCC[N@H+](CC)Cc1cccc(Br)c1 ZINC000462314108 331319247 /nfs/dbraw/zinc/31/92/47/331319247.db2.gz NXDNAHSDTCMWNB-UHFFFAOYSA-N 1 1 280.209 3.684 20 30 CHEDMO CC#CCC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000462327915 331319686 /nfs/dbraw/zinc/31/96/86/331319686.db2.gz PWBMTFKEYYHBGC-GDBMZVCRSA-N 1 1 259.418 3.578 20 30 CHEDMO C=CCOCCCOc1cc(C)[nH+]c2cccc(C)c21 ZINC000478823215 331714892 /nfs/dbraw/zinc/71/48/92/331714892.db2.gz LDAYRMNQAVUCNR-UHFFFAOYSA-N 1 1 271.360 3.823 20 30 CHEDMO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1C#N ZINC000488414056 332005279 /nfs/dbraw/zinc/00/52/79/332005279.db2.gz GHSMRWKSLGFQLZ-UHFFFAOYSA-N 1 1 269.392 3.628 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1C#N ZINC000488414056 332005281 /nfs/dbraw/zinc/00/52/81/332005281.db2.gz GHSMRWKSLGFQLZ-UHFFFAOYSA-N 1 1 269.392 3.628 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)ccc1C#N ZINC000488442818 332009164 /nfs/dbraw/zinc/00/91/64/332009164.db2.gz ASWVXPMAKFBYTE-GOSISDBHSA-N 1 1 262.356 3.814 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000488445679 332009741 /nfs/dbraw/zinc/00/97/41/332009741.db2.gz XGWZYBZQSMGVNC-INIZCTEOSA-N 1 1 251.414 3.625 20 30 CHEDMO C=CCC[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000488994943 332036929 /nfs/dbraw/zinc/03/69/29/332036929.db2.gz SUQRWDDLZNZUKW-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000489428288 332051592 /nfs/dbraw/zinc/05/15/92/332051592.db2.gz DMORUFOTIIOHBB-GFCCVEGCSA-N 1 1 258.390 3.837 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2s1 ZINC000489428288 332051593 /nfs/dbraw/zinc/05/15/93/332051593.db2.gz DMORUFOTIIOHBB-GFCCVEGCSA-N 1 1 258.390 3.837 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000489448386 332053046 /nfs/dbraw/zinc/05/30/46/332053046.db2.gz MCPBLZLTJQFGJH-AWEZNQCLSA-N 1 1 260.768 3.752 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000489448386 332053047 /nfs/dbraw/zinc/05/30/47/332053047.db2.gz MCPBLZLTJQFGJH-AWEZNQCLSA-N 1 1 260.768 3.752 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000489451628 332053490 /nfs/dbraw/zinc/05/34/90/332053490.db2.gz UNWLEZMECNWIIO-CVEARBPZSA-N 1 1 263.425 3.909 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000489473228 332054945 /nfs/dbraw/zinc/05/49/45/332054945.db2.gz JDZKXPTUICTDDU-INIZCTEOSA-N 1 1 297.402 3.710 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000489500127 332056999 /nfs/dbraw/zinc/05/69/99/332056999.db2.gz UMGVGDIKQDEYNJ-GFCCVEGCSA-N 1 1 260.312 3.507 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000489500127 332057000 /nfs/dbraw/zinc/05/70/00/332057000.db2.gz UMGVGDIKQDEYNJ-GFCCVEGCSA-N 1 1 260.312 3.507 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)CCCSc1ccccc1Cl ZINC000489577273 332059931 /nfs/dbraw/zinc/05/99/31/332059931.db2.gz LRDABXMBOXVLSF-GFCCVEGCSA-N 1 1 282.840 3.914 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CCCSc1ccccc1Cl ZINC000489577273 332059933 /nfs/dbraw/zinc/05/99/33/332059933.db2.gz LRDABXMBOXVLSF-GFCCVEGCSA-N 1 1 282.840 3.914 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCO[C@H](C)C1 ZINC000490395881 332088176 /nfs/dbraw/zinc/08/81/76/332088176.db2.gz FKWDZEJCBUDRAH-WBVHZDCISA-N 1 1 265.441 3.870 20 30 CHEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000490403889 332088521 /nfs/dbraw/zinc/08/85/21/332088521.db2.gz QIXXGFFFGSNMOG-FPAYPSAMSA-N 1 1 298.430 3.573 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491182501 332162035 /nfs/dbraw/zinc/16/20/35/332162035.db2.gz LASUVDPKCBMLFT-WMZOPIPTSA-N 1 1 273.420 3.532 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491184815 332162091 /nfs/dbraw/zinc/16/20/91/332162091.db2.gz CKPMCLXRMKQAKL-HNNXBMFYSA-N 1 1 268.404 3.720 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCO[C@H](C)C1 ZINC000491182498 332162158 /nfs/dbraw/zinc/16/21/58/332162158.db2.gz LASUVDPKCBMLFT-AEFFLSMTSA-N 1 1 273.420 3.532 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(Cl)cc1 ZINC000491277749 332179630 /nfs/dbraw/zinc/17/96/30/332179630.db2.gz PSKJOXUXWVSVTQ-OAHLLOKOSA-N 1 1 295.773 3.680 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(Cl)cc1 ZINC000491277749 332179631 /nfs/dbraw/zinc/17/96/31/332179631.db2.gz PSKJOXUXWVSVTQ-OAHLLOKOSA-N 1 1 295.773 3.680 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000491347995 332193890 /nfs/dbraw/zinc/19/38/90/332193890.db2.gz BCRAFZKLWUWYPG-QGZVFWFLSA-N 1 1 280.758 3.676 20 30 CHEDMO C#CC[N@@H+](Cc1oc(CC)nc1C)[C@H]1CCc2ccccc21 ZINC000491362025 332197202 /nfs/dbraw/zinc/19/72/02/332197202.db2.gz 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C=CCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000194823962 333277917 /nfs/dbraw/zinc/27/79/17/333277917.db2.gz VPACLNQSNZWAIS-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000523008165 333304389 /nfs/dbraw/zinc/30/43/89/333304389.db2.gz JSBWCCMKTSLWFP-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000523010624 333304543 /nfs/dbraw/zinc/30/45/43/333304543.db2.gz NLUJMYXXLSCPKQ-SFHVURJKSA-N 1 1 294.373 3.762 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000229750422 333309138 /nfs/dbraw/zinc/30/91/38/333309138.db2.gz NKEVALDWWCHLRW-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[N@@H+](CCCOc1cccc(Cl)c1)C[C@H](C)C#N ZINC000523692360 333338859 /nfs/dbraw/zinc/33/88/59/333338859.db2.gz LBHHCFYSBCBYSU-CYBMUJFWSA-N 1 1 280.799 3.590 20 30 CHEDMO C[C@H](CNc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000303542293 333343678 /nfs/dbraw/zinc/34/36/78/333343678.db2.gz YRUIAEPCXSQWQD-CHWSQXEVSA-N 1 1 291.826 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ZINC000483527924 1126790815 /nfs/dbraw/zinc/79/08/15/1126790815.db2.gz FGVMKBYKUPYVMH-UHFFFAOYSA-N 1 1 255.386 3.540 20 30 CHEDMO C=CC[N@@H+](CCSC(C)(C)C)CCc1ccco1 ZINC000801939725 1126790637 /nfs/dbraw/zinc/79/06/37/1126790637.db2.gz QUOVPLLEBBJBAB-UHFFFAOYSA-N 1 1 267.438 3.842 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000483519766 1126790990 /nfs/dbraw/zinc/79/09/90/1126790990.db2.gz OQKMVJFQVDYGTQ-GOSISDBHSA-N 1 1 253.389 3.693 20 30 CHEDMO CC[N@H+](CC#Cc1ccccc1)CCc1cccs1 ZINC000483591204 1126793286 /nfs/dbraw/zinc/79/32/86/1126793286.db2.gz JLUVUOPCKRHWQP-UHFFFAOYSA-N 1 1 269.413 3.664 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)C1 ZINC000483726195 1126799222 /nfs/dbraw/zinc/79/92/22/1126799222.db2.gz MGOJWVBOCQKQEE-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000483737088 1126799239 /nfs/dbraw/zinc/79/92/39/1126799239.db2.gz ZOARNOCQZDUCEJ-KZNAEPCWSA-N 1 1 268.404 3.948 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000483973462 1126806586 /nfs/dbraw/zinc/80/65/86/1126806586.db2.gz GECFDAZVTZPDBE-XLIONFOSSA-N 1 1 275.395 3.916 20 30 CHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000483953052 1126806878 /nfs/dbraw/zinc/80/68/78/1126806878.db2.gz AHYIRBIGEYZIQW-VQIMIIECSA-N 1 1 261.368 3.731 20 30 CHEDMO C=CC[C@H](OC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001224701852 1126813494 /nfs/dbraw/zinc/81/34/94/1126813494.db2.gz IRJRYAGTZZKMIM-SJORKVTESA-N 1 1 259.393 3.805 20 30 CHEDMO CC[N@H+](c1ccc(NCc2ccc(C#N)o2)cc1)C(C)C ZINC000178800234 1126820445 /nfs/dbraw/zinc/82/04/45/1126820445.db2.gz XBEVHYCXEVPOKT-UHFFFAOYSA-N 1 1 283.375 3.998 20 30 CHEDMO C=CC[N@H+](C[C@H](O)Cc1ccccc1)CC1CCCCC1 ZINC000484571640 1126828720 /nfs/dbraw/zinc/82/87/20/1126828720.db2.gz UMUGECHMISMFPM-LJQANCHMSA-N 1 1 287.447 3.658 20 30 CHEDMO C=CC[NH+]1CCC(N[C@H](CC)c2ccccc2F)CC1 ZINC000180489438 1126844419 /nfs/dbraw/zinc/84/44/19/1126844419.db2.gz BQEYVUYZCIADCD-QGZVFWFLSA-N 1 1 276.399 3.517 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2CC)no1 ZINC000904541190 1126856300 /nfs/dbraw/zinc/85/63/00/1126856300.db2.gz YILMXMKOHWJOLY-AWEZNQCLSA-N 1 1 271.364 3.655 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cc(C)ccc2C)no1 ZINC000904539117 1126857022 /nfs/dbraw/zinc/85/70/22/1126857022.db2.gz SXWCRQBMGGKPGK-HNNXBMFYSA-N 1 1 285.391 3.633 20 30 CHEDMO CC(C)Cn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000181810721 1126861377 /nfs/dbraw/zinc/86/13/77/1126861377.db2.gz VMAKSRRUGSYTPL-SFHVURJKSA-N 1 1 296.418 3.674 20 30 CHEDMO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000181812436 1126862123 /nfs/dbraw/zinc/86/21/23/1126862123.db2.gz UWWVPCCDFKQBND-SUMWQHHRSA-N 1 1 298.386 3.752 20 30 CHEDMO C=CCCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182064878 1126865073 /nfs/dbraw/zinc/86/50/73/1126865073.db2.gz CQWPUZLSROEJSF-UHFFFAOYSA-N 1 1 256.349 3.643 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C)c2F)no1 ZINC000904710105 1126867632 /nfs/dbraw/zinc/86/76/32/1126867632.db2.gz XMLJQQOBDDFKJN-GFCCVEGCSA-N 1 1 275.327 3.540 20 30 CHEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000812824322 1130715716 /nfs/dbraw/zinc/71/57/16/1130715716.db2.gz XJYWJDRNHFLKFU-CQSZACIVSA-N 1 1 287.325 3.635 20 30 CHEDMO CC#CCC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000185060872 1126898185 /nfs/dbraw/zinc/89/81/85/1126898185.db2.gz SSBCAAVTDMHPFH-GFCCVEGCSA-N 1 1 258.390 3.703 20 30 CHEDMO C=CCCOCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186434486 1126907080 /nfs/dbraw/zinc/90/70/80/1126907080.db2.gz INSXJPOVYXKKKD-LBPRGKRZSA-N 1 1 268.426 3.510 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000187312128 1126909840 /nfs/dbraw/zinc/90/98/40/1126909840.db2.gz NOBCABCBAATBCI-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2sccc2OC)C1 ZINC000668493549 1126917681 /nfs/dbraw/zinc/91/76/81/1126917681.db2.gz OYLLDVIDAHBMSK-GFCCVEGCSA-N 1 1 251.395 3.545 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000668493998 1126918093 /nfs/dbraw/zinc/91/80/93/1126918093.db2.gz TXXPYBXYNYHYHY-HIFRSBDPSA-N 1 1 292.448 3.783 20 30 CHEDMO CCCCCCCC[N@@H+](C)C[C@@H](N)c1ccccc1 ZINC001235663390 1130763134 /nfs/dbraw/zinc/76/31/34/1130763134.db2.gz ILCRZQSHYLHNFV-QGZVFWFLSA-N 1 1 262.441 3.979 20 30 CHEDMO CCCCCCCCN(C)C[C@@H]([NH3+])c1ccccc1 ZINC001235663390 1130763138 /nfs/dbraw/zinc/76/31/38/1130763138.db2.gz ILCRZQSHYLHNFV-QGZVFWFLSA-N 1 1 262.441 3.979 20 30 CHEDMO FC(F)(F)CC[N@@H+](CC#Cc1ccccc1)CC1CC1 ZINC000192065058 1126957887 /nfs/dbraw/zinc/95/78/87/1126957887.db2.gz BQDVUYUMTOPMFH-UHFFFAOYSA-N 1 1 281.321 3.703 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2cc(Cl)cs2)CC1 ZINC000193092896 1126966397 /nfs/dbraw/zinc/96/63/97/1126966397.db2.gz SIRHSFGGLCLNQO-UHFFFAOYSA-N 1 1 284.856 3.532 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266589685 1126985348 /nfs/dbraw/zinc/98/53/48/1126985348.db2.gz LVAXMYFHQJIHIX-HFTRVMKXSA-N 1 1 284.403 3.742 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCc2ccccc2)ccc1C#N ZINC000486736000 1126997745 /nfs/dbraw/zinc/99/77/45/1126997745.db2.gz KYKBTFRDBPEWAQ-UHFFFAOYSA-N 1 1 264.372 3.541 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccc1C ZINC000269606634 1127042314 /nfs/dbraw/zinc/04/23/14/1127042314.db2.gz XNVHZBBRKWAZSU-UHFFFAOYSA-N 1 1 279.387 3.674 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000488217430 1127062802 /nfs/dbraw/zinc/06/28/02/1127062802.db2.gz OCIHXOVPJZEPTD-AWEZNQCLSA-N 1 1 265.422 3.868 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)ccc1C#N ZINC000488233391 1127063589 /nfs/dbraw/zinc/06/35/89/1127063589.db2.gz QNCQGCGLHARJRO-CQSZACIVSA-N 1 1 280.371 3.765 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000488267314 1127066712 /nfs/dbraw/zinc/06/67/12/1127066712.db2.gz VHEMAAXYUINCFL-INIZCTEOSA-N 1 1 251.414 3.624 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccn1 ZINC000271254885 1127074059 /nfs/dbraw/zinc/07/40/59/1127074059.db2.gz IGEPVOYWPDCKMT-HNNXBMFYSA-N 1 1 279.387 3.926 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1OCC ZINC000489427826 1127102990 /nfs/dbraw/zinc/10/29/90/1127102990.db2.gz NVQKIWPZWUCKBG-OAHLLOKOSA-N 1 1 275.392 3.505 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000150888973 1127108996 /nfs/dbraw/zinc/10/89/96/1127108996.db2.gz YDKWOZSLEBUSNN-UHFFFAOYSA-N 1 1 265.401 3.545 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000150888973 1127108998 /nfs/dbraw/zinc/10/89/98/1127108998.db2.gz YDKWOZSLEBUSNN-UHFFFAOYSA-N 1 1 265.401 3.545 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCSC1 ZINC000348866127 1127132385 /nfs/dbraw/zinc/13/23/85/1127132385.db2.gz FYRKVLNWJFHDEQ-OAHLLOKOSA-N 1 1 293.480 3.595 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000349373756 1127149051 /nfs/dbraw/zinc/14/90/51/1127149051.db2.gz OTMGRCFMDLKMBC-MRXNPFEDSA-N 1 1 296.418 3.617 20 30 CHEDMO CC1(C)C[C@H]([N@H+](CCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349384043 1127150511 /nfs/dbraw/zinc/15/05/11/1127150511.db2.gz NKKROJXQSPBADO-INIZCTEOSA-N 1 1 286.419 3.748 20 30 CHEDMO CC1(C)C[C@H]([N@@H+](CCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349384043 1127150512 /nfs/dbraw/zinc/15/05/12/1127150512.db2.gz NKKROJXQSPBADO-INIZCTEOSA-N 1 1 286.419 3.748 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(C(C)(C)C)nc1 ZINC000284519009 1127187974 /nfs/dbraw/zinc/18/79/74/1127187974.db2.gz YYUWQXJWDDOPAI-UHFFFAOYSA-N 1 1 299.418 3.598 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000351471372 1127188796 /nfs/dbraw/zinc/18/87/96/1127188796.db2.gz JUKUKRWBJCTKPM-VNQPRFMTSA-N 1 1 277.408 3.688 20 30 CHEDMO Cc1sccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000351403310 1127188902 /nfs/dbraw/zinc/18/89/02/1127188902.db2.gz YYXZVDVOFJYXPV-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO Cc1sccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000351403310 1127188904 /nfs/dbraw/zinc/18/89/04/1127188904.db2.gz YYXZVDVOFJYXPV-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000351568074 1127194180 /nfs/dbraw/zinc/19/41/80/1127194180.db2.gz KWSRDDOOZZMCPO-MRXNPFEDSA-N 1 1 294.398 3.768 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC000351605293 1127197069 /nfs/dbraw/zinc/19/70/69/1127197069.db2.gz YVLMSVHLWWKNQO-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C=CC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC000351605293 1127197071 /nfs/dbraw/zinc/19/70/71/1127197071.db2.gz YVLMSVHLWWKNQO-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588977779 1127208898 /nfs/dbraw/zinc/20/88/98/1127208898.db2.gz IVPKPXQKFKKROK-GUYCJALGSA-N 1 1 254.377 3.741 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000351859544 1127211807 /nfs/dbraw/zinc/21/18/07/1127211807.db2.gz XCZMWJHDKWRRQO-OAHLLOKOSA-N 1 1 273.376 3.561 20 30 CHEDMO C[N@@H+](Cc1ccsc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751050 1131138350 /nfs/dbraw/zinc/13/83/50/1131138350.db2.gz FYACENVVNDUAKX-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)C#N ZINC000589174664 1127213821 /nfs/dbraw/zinc/21/38/21/1127213821.db2.gz IIPDSYZDXDNTPP-IGEMTJHASA-N 1 1 282.309 3.858 20 30 CHEDMO Cc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000572668531 1127223783 /nfs/dbraw/zinc/22/37/83/1127223783.db2.gz XJDIGONXZBNPOM-HXUWFJFHSA-N 1 1 275.395 3.836 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000589514756 1127226391 /nfs/dbraw/zinc/22/63/91/1127226391.db2.gz KQRCMFPVYLYFIQ-SWLSCSKDSA-N 1 1 294.320 3.951 20 30 CHEDMO C=CCC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000285494533 1127232967 /nfs/dbraw/zinc/23/29/67/1127232967.db2.gz ANZLMDOXXUHDBH-KBPBESRZSA-N 1 1 275.348 3.593 20 30 CHEDMO CC(C)O[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000589990768 1127243695 /nfs/dbraw/zinc/24/36/95/1127243695.db2.gz BGOVNCONKHWXCV-QZTJIDSGSA-N 1 1 286.419 3.778 20 30 CHEDMO CC(C)O[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000589990768 1127243697 /nfs/dbraw/zinc/24/36/97/1127243697.db2.gz BGOVNCONKHWXCV-QZTJIDSGSA-N 1 1 286.419 3.778 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000589985970 1127243719 /nfs/dbraw/zinc/24/37/19/1127243719.db2.gz UKBCHEBOMVMSHE-SFHVURJKSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000589985970 1127243720 /nfs/dbraw/zinc/24/37/20/1127243720.db2.gz UKBCHEBOMVMSHE-SFHVURJKSA-N 1 1 296.345 3.740 20 30 CHEDMO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000352861073 1127246838 /nfs/dbraw/zinc/24/68/38/1127246838.db2.gz FJZVHJSCWPJGHN-MRXNPFEDSA-N 1 1 297.427 3.915 20 30 CHEDMO CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000352876679 1127247865 /nfs/dbraw/zinc/24/78/65/1127247865.db2.gz OKVUKOJHNFVEBK-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000352876679 1127247868 /nfs/dbraw/zinc/24/78/68/1127247868.db2.gz OKVUKOJHNFVEBK-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccccn1 ZINC000352905810 1127249855 /nfs/dbraw/zinc/24/98/55/1127249855.db2.gz ZSITWHFVLMMRQF-MRXNPFEDSA-N 1 1 298.434 3.998 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccccn1 ZINC000352905810 1127249860 /nfs/dbraw/zinc/24/98/60/1127249860.db2.gz ZSITWHFVLMMRQF-MRXNPFEDSA-N 1 1 298.434 3.998 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC3 ZINC000590166002 1127250881 /nfs/dbraw/zinc/25/08/81/1127250881.db2.gz LIFGWPPBSBLVAB-UONOGXRCSA-N 1 1 279.387 3.527 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC3 ZINC000590166002 1127250883 /nfs/dbraw/zinc/25/08/83/1127250883.db2.gz LIFGWPPBSBLVAB-UONOGXRCSA-N 1 1 279.387 3.527 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590170875 1127251506 /nfs/dbraw/zinc/25/15/06/1127251506.db2.gz COPLSRDOZGXJNR-UHFFFAOYSA-N 1 1 288.269 3.622 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCC2(C)C)cc1OC ZINC000352933465 1127251990 /nfs/dbraw/zinc/25/19/90/1127251990.db2.gz CLQUIEQAYJWZHY-UHFFFAOYSA-N 1 1 275.392 3.634 20 30 CHEDMO CC(C)[C@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352942387 1127252574 /nfs/dbraw/zinc/25/25/74/1127252574.db2.gz NCHMUADCCDPHMS-CVEARBPZSA-N 1 1 297.427 3.989 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(C)c(OCC)c1 ZINC001238070263 1131168032 /nfs/dbraw/zinc/16/80/32/1131168032.db2.gz HNHZRNXGMTWGLZ-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(C)c(OCC)c1 ZINC001238070263 1131168034 /nfs/dbraw/zinc/16/80/34/1131168034.db2.gz HNHZRNXGMTWGLZ-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000590764104 1127270268 /nfs/dbraw/zinc/27/02/68/1127270268.db2.gz VQFDWCJMAUKFHR-SFHVURJKSA-N 1 1 295.361 3.738 20 30 CHEDMO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)C#N ZINC000057862514 1127285506 /nfs/dbraw/zinc/28/55/06/1127285506.db2.gz UGNOLYWVVDWUJA-SMDDNHRTSA-N 1 1 250.773 3.883 20 30 CHEDMO CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)C#N ZINC000057862514 1127285508 /nfs/dbraw/zinc/28/55/08/1127285508.db2.gz UGNOLYWVVDWUJA-SMDDNHRTSA-N 1 1 250.773 3.883 20 30 CHEDMO C#CCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000760817935 1127294284 /nfs/dbraw/zinc/29/42/84/1127294284.db2.gz CRUAZFFHGBCQCM-UHFFFAOYSA-N 1 1 259.368 3.636 20 30 CHEDMO C#CCC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000760822042 1127297571 /nfs/dbraw/zinc/29/75/71/1127297571.db2.gz SJJVIOYCDWOMPF-UHFFFAOYSA-N 1 1 261.368 3.952 20 30 CHEDMO C=CCCC1(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000354310070 1127302481 /nfs/dbraw/zinc/30/24/81/1127302481.db2.gz FNCKUXAOZVTXHN-UHFFFAOYSA-N 1 1 292.467 3.504 20 30 CHEDMO C#CCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000760835178 1127307059 /nfs/dbraw/zinc/30/70/59/1127307059.db2.gz XETPJOBSCFBLLQ-LJQANCHMSA-N 1 1 261.368 3.657 20 30 CHEDMO C#CCC[N@@H+](Cc1ccc(OCC=C)cc1)C(C)(C)C ZINC000760847415 1127310822 /nfs/dbraw/zinc/31/08/22/1127310822.db2.gz LJXYWYPMZWIXML-UHFFFAOYSA-N 1 1 271.404 3.875 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)ncc1F)c1ccccc1 ZINC000287633377 1127311243 /nfs/dbraw/zinc/31/12/43/1127311243.db2.gz KMXHFIFTQRFRQQ-GUYCJALGSA-N 1 1 298.361 3.645 20 30 CHEDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(F)cn1 ZINC000287797680 1127313801 /nfs/dbraw/zinc/31/38/01/1127313801.db2.gz TXUVFRVKUYCWEM-RYUDHWBXSA-N 1 1 299.349 3.513 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000355131572 1127319673 /nfs/dbraw/zinc/31/96/73/1127319673.db2.gz JAQYPOIVWLCERA-OLZOCXBDSA-N 1 1 260.356 3.565 20 30 CHEDMO Cc1c(Cl)ccc(C[NH+]2CCC(CC#N)CC2)c1F ZINC001238514842 1131212265 /nfs/dbraw/zinc/21/22/65/1131212265.db2.gz BAFRZOJDJUWGIN-UHFFFAOYSA-N 1 1 280.774 3.913 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOC(C)(C)C ZINC000591853667 1127324595 /nfs/dbraw/zinc/32/45/95/1127324595.db2.gz VYILKMYWQKMVHE-AWEZNQCLSA-N 1 1 274.408 3.756 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(C)(C)CCC#N ZINC000355205852 1127325180 /nfs/dbraw/zinc/32/51/80/1127325180.db2.gz KNKRQHYKVWUMGF-LSDHHAIUSA-N 1 1 280.456 3.842 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000046087709 1127327877 /nfs/dbraw/zinc/32/78/77/1127327877.db2.gz HAZMVYSSQRPDPF-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccncc1C#N)C(C)(C)C2 ZINC000592122911 1127332749 /nfs/dbraw/zinc/33/27/49/1127332749.db2.gz STSYERBFNPJECW-UHFFFAOYSA-N 1 1 291.398 3.599 20 30 CHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccncc1C#N)C(C)(C)C2 ZINC000592122911 1127332753 /nfs/dbraw/zinc/33/27/53/1127332753.db2.gz STSYERBFNPJECW-UHFFFAOYSA-N 1 1 291.398 3.599 20 30 CHEDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000355352926 1127335339 /nfs/dbraw/zinc/33/53/39/1127335339.db2.gz HTKPMFCMQILTDH-UHFFFAOYSA-N 1 1 278.355 3.749 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000592067522 1127335393 /nfs/dbraw/zinc/33/53/93/1127335393.db2.gz YWSHTKOBYPLUHD-IBGZPJMESA-N 1 1 291.398 3.550 20 30 CHEDMO CCSc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592095440 1127335730 /nfs/dbraw/zinc/33/57/30/1127335730.db2.gz XDWFGKSQLGIPAX-CYBMUJFWSA-N 1 1 297.427 3.916 20 30 CHEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(C2CC2)c1 ZINC000592121751 1127335775 /nfs/dbraw/zinc/33/57/75/1127335775.db2.gz CIJYHVKZZYYHOX-ZDUSSCGKSA-N 1 1 277.371 3.681 20 30 CHEDMO N#CCCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592189089 1127337798 /nfs/dbraw/zinc/33/77/98/1127337798.db2.gz XZRDZNDJFZZORZ-MRXNPFEDSA-N 1 1 252.361 3.683 20 30 CHEDMO C[C@@H]1CC2(C[N@H+]1CCCCC(C)(C)C#N)CCOCC2 ZINC000592184323 1127338419 /nfs/dbraw/zinc/33/84/19/1127338419.db2.gz NUXCWZMXPWALPR-OAHLLOKOSA-N 1 1 278.440 3.597 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC2(CCC2)O1 ZINC000592188408 1127338444 /nfs/dbraw/zinc/33/84/44/1127338444.db2.gz QJWBCABGMOYYHK-OAHLLOKOSA-N 1 1 298.430 3.631 20 30 CHEDMO CC(C)c1[nH+]ccn1Cc1ccc(C#N)cc1OC(F)F ZINC000355456890 1127343241 /nfs/dbraw/zinc/34/32/41/1127343241.db2.gz GYEFNDCINSFUJH-UHFFFAOYSA-N 1 1 291.301 3.528 20 30 CHEDMO CC[C@@H](OCC[N@H+](CC)C[C@H](C)C#N)c1ccccc1 ZINC000593001828 1127364282 /nfs/dbraw/zinc/36/42/82/1127364282.db2.gz KGGGRMXNFNCIET-NVXWUHKLSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@@H](OCC[N@@H+](CC)C[C@H](C)C#N)c1ccccc1 ZINC000593001828 1127364286 /nfs/dbraw/zinc/36/42/86/1127364286.db2.gz KGGGRMXNFNCIET-NVXWUHKLSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@H](OCC[N@H+](CC)C[C@@H](C)C#N)c1ccccc1 ZINC000593001830 1127364746 /nfs/dbraw/zinc/36/47/46/1127364746.db2.gz KGGGRMXNFNCIET-RDJZCZTQSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@H](OCC[N@@H+](CC)C[C@@H](C)C#N)c1ccccc1 ZINC000593001830 1127364750 /nfs/dbraw/zinc/36/47/50/1127364750.db2.gz KGGGRMXNFNCIET-RDJZCZTQSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[C@H](OCC[N@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000593019308 1127364961 /nfs/dbraw/zinc/36/49/61/1127364961.db2.gz UKVOCOSXGZCDKV-QAPCUYQASA-N 1 1 286.419 3.778 20 30 CHEDMO CC[C@H](OCC[N@@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000593019308 1127364966 /nfs/dbraw/zinc/36/49/66/1127364966.db2.gz UKVOCOSXGZCDKV-QAPCUYQASA-N 1 1 286.419 3.778 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000355736934 1127361741 /nfs/dbraw/zinc/36/17/41/1127361741.db2.gz UZZZLLVCCPTAGK-UHFFFAOYSA-N 1 1 254.377 3.570 20 30 CHEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCc2ccc(Cl)cc21 ZINC000593066725 1127368423 /nfs/dbraw/zinc/36/84/23/1127368423.db2.gz PNCXYQAJTBMQEC-WWGRRREGSA-N 1 1 288.822 3.994 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCc2occc2C1 ZINC000288967842 1127368620 /nfs/dbraw/zinc/36/86/20/1127368620.db2.gz YNDTWZCEJOABQL-ZDUSSCGKSA-N 1 1 266.344 3.661 20 30 CHEDMO C#Cc1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000289079706 1127373064 /nfs/dbraw/zinc/37/30/64/1127373064.db2.gz DECBJIQWCZWEMF-UHFFFAOYSA-N 1 1 282.412 3.602 20 30 CHEDMO CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)Cc1ccsc1 ZINC000356433180 1127383643 /nfs/dbraw/zinc/38/36/43/1127383643.db2.gz GQLWDJYDZCCUOA-LLVKDONJSA-N 1 1 291.445 3.529 20 30 CHEDMO CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)Cc1ccsc1 ZINC000356433180 1127383647 /nfs/dbraw/zinc/38/36/47/1127383647.db2.gz GQLWDJYDZCCUOA-LLVKDONJSA-N 1 1 291.445 3.529 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000167726465 1127385781 /nfs/dbraw/zinc/38/57/81/1127385781.db2.gz RGHBSGUGTSTVNL-QMMMGPOBSA-N 1 1 292.579 3.991 20 30 CHEDMO CC[N@@H+](CCNc1ccc(C(F)(F)F)cc1C#N)C(C)C ZINC000357238312 1127388515 /nfs/dbraw/zinc/38/85/15/1127388515.db2.gz XSRQNUQECNLZKH-UHFFFAOYSA-N 1 1 299.340 3.719 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccco3)s2)CCCC1 ZINC000593654354 1127393754 /nfs/dbraw/zinc/39/37/54/1127393754.db2.gz BESQWWOLQQRVHK-UHFFFAOYSA-N 1 1 287.388 3.577 20 30 CHEDMO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000357527270 1127391241 /nfs/dbraw/zinc/39/12/41/1127391241.db2.gz IFMPDXIAQZCBCH-UHFFFAOYSA-N 1 1 293.794 3.652 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)cs2)CC12CC=CC2 ZINC000592526018 1127396488 /nfs/dbraw/zinc/39/64/88/1127396488.db2.gz FKAMLZQGTJHNKL-HNNXBMFYSA-N 1 1 272.417 3.796 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2cc(C#N)cs2)CC2CC2)cn1 ZINC000592525909 1127396686 /nfs/dbraw/zinc/39/66/86/1127396686.db2.gz OOMJASZXCSBBDT-UHFFFAOYSA-N 1 1 297.427 3.735 20 30 CHEDMO N#CCC[N@H+](CCCc1c(F)cccc1F)CC1CC1 ZINC000593959770 1127404184 /nfs/dbraw/zinc/40/41/84/1127404184.db2.gz HGUWZMCPBPPCPJ-UHFFFAOYSA-N 1 1 278.346 3.523 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000594057653 1127406771 /nfs/dbraw/zinc/40/67/71/1127406771.db2.gz KIGKQYOEKBQTED-OAHLLOKOSA-N 1 1 278.440 3.740 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529328 1127413387 /nfs/dbraw/zinc/41/33/87/1127413387.db2.gz OGCJHFIVUKMMSW-UHFFFAOYSA-N 1 1 264.372 3.623 20 30 CHEDMO C=CCC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000358325509 1127415635 /nfs/dbraw/zinc/41/56/35/1127415635.db2.gz DYTNBFTXJBUUQA-FHWLQOOXSA-N 1 1 284.447 3.910 20 30 CHEDMO C=CCC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000358325509 1127415637 /nfs/dbraw/zinc/41/56/37/1127415637.db2.gz DYTNBFTXJBUUQA-FHWLQOOXSA-N 1 1 284.447 3.910 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CC2(CCCCC2)O1 ZINC000594613299 1127426281 /nfs/dbraw/zinc/42/62/81/1127426281.db2.gz CNUUDKOQFBFZLZ-CYBMUJFWSA-N 1 1 290.432 3.543 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC2(CCCCC2)O1 ZINC000594613299 1127426282 /nfs/dbraw/zinc/42/62/82/1127426282.db2.gz CNUUDKOQFBFZLZ-CYBMUJFWSA-N 1 1 290.432 3.543 20 30 CHEDMO C[C@H](C[N@@H+]1Cc2ccc(C#N)cc2C1)c1cc(F)cc(F)c1 ZINC000594612255 1127426301 /nfs/dbraw/zinc/42/63/01/1127426301.db2.gz MWHBLRPWTSOFCH-GFCCVEGCSA-N 1 1 298.336 3.956 20 30 CHEDMO C[C@H](C[N@H+]1Cc2ccc(C#N)cc2C1)c1cc(F)cc(F)c1 ZINC000594612255 1127426303 /nfs/dbraw/zinc/42/63/03/1127426303.db2.gz MWHBLRPWTSOFCH-GFCCVEGCSA-N 1 1 298.336 3.956 20 30 CHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC2(CCCCC2)O1 ZINC000594615364 1127426515 /nfs/dbraw/zinc/42/65/15/1127426515.db2.gz NLBQNUZRPJGTEC-HNNXBMFYSA-N 1 1 278.440 3.740 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C#N)c1 ZINC000594719099 1127429783 /nfs/dbraw/zinc/42/97/83/1127429783.db2.gz WVBMGAVCSAUOTN-AWEZNQCLSA-N 1 1 267.376 3.683 20 30 CHEDMO Cc1nc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)sc1C ZINC000594928189 1127435519 /nfs/dbraw/zinc/43/55/19/1127435519.db2.gz GEYCSUWWKAECSB-UHFFFAOYSA-N 1 1 297.427 3.605 20 30 CHEDMO CCc1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594970169 1127437439 /nfs/dbraw/zinc/43/74/39/1127437439.db2.gz VCFRFHRYCGJWDW-UHFFFAOYSA-N 1 1 285.416 3.602 20 30 CHEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1F ZINC000594982023 1127443071 /nfs/dbraw/zinc/44/30/71/1127443071.db2.gz XAWHKWILRQTTNK-UHFFFAOYSA-N 1 1 260.356 3.698 20 30 CHEDMO N#CC1(C[NH2+]Cc2coc3ccccc23)CCCCC1 ZINC000594981573 1127443149 /nfs/dbraw/zinc/44/31/49/1127443149.db2.gz RNKBMAQWBPRHCZ-UHFFFAOYSA-N 1 1 268.360 3.996 20 30 CHEDMO CCC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccn1 ZINC000595092116 1127454731 /nfs/dbraw/zinc/45/47/31/1127454731.db2.gz XGECQISNPJGTTF-OAHLLOKOSA-N 1 1 271.408 3.986 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)OCO2 ZINC000595096653 1127455505 /nfs/dbraw/zinc/45/55/05/1127455505.db2.gz DNMQKNAALMWLMT-ZDUSSCGKSA-N 1 1 286.375 3.540 20 30 CHEDMO CC[C@@H](CC(F)F)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000595289186 1127457378 /nfs/dbraw/zinc/45/73/78/1127457378.db2.gz QCTNTTVPJTYVKU-LBPRGKRZSA-N 1 1 266.335 3.671 20 30 CHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595298188 1127457902 /nfs/dbraw/zinc/45/79/02/1127457902.db2.gz PZFNSOLJSNGDIZ-CQSZACIVSA-N 1 1 282.362 3.933 20 30 CHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000595300747 1127458032 /nfs/dbraw/zinc/45/80/32/1127458032.db2.gz UJVDSZNCDZJBKI-SFHVURJKSA-N 1 1 294.373 3.729 20 30 CHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000595408508 1127461516 /nfs/dbraw/zinc/46/15/16/1127461516.db2.gz QTSGFMKDFUYYRY-IDHPPYADSA-N 1 1 278.399 3.693 20 30 CHEDMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619735 1127468358 /nfs/dbraw/zinc/46/83/58/1127468358.db2.gz GLXFQOOFNFLGLG-STQMWFEESA-N 1 1 269.348 3.514 20 30 CHEDMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619735 1127468359 /nfs/dbraw/zinc/46/83/59/1127468359.db2.gz GLXFQOOFNFLGLG-STQMWFEESA-N 1 1 269.348 3.514 20 30 CHEDMO COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595622438 1127468383 /nfs/dbraw/zinc/46/83/83/1127468383.db2.gz ALYIFUUUDXYYJY-HNNXBMFYSA-N 1 1 286.419 3.944 20 30 CHEDMO Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623505 1127468405 /nfs/dbraw/zinc/46/84/05/1127468405.db2.gz RVWJNAKSWVJJKC-HNNXBMFYSA-N 1 1 271.408 3.639 20 30 CHEDMO Cc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623583 1127468452 /nfs/dbraw/zinc/46/84/52/1127468452.db2.gz UKTSWPAFCWAYSW-ZDUSSCGKSA-N 1 1 294.345 3.722 20 30 CHEDMO Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623583 1127468454 /nfs/dbraw/zinc/46/84/54/1127468454.db2.gz UKTSWPAFCWAYSW-ZDUSSCGKSA-N 1 1 294.345 3.722 20 30 CHEDMO N#Cc1ccc(C[NH+]2CCC(c3ccco3)CC2)c(F)c1 ZINC000595618949 1127467729 /nfs/dbraw/zinc/46/77/29/1127467729.db2.gz XAGIGGVSUWCMKL-UHFFFAOYSA-N 1 1 284.334 3.670 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000595623615 1127468299 /nfs/dbraw/zinc/46/82/99/1127468299.db2.gz VMEDZRYGXCFWJT-LBPRGKRZSA-N 1 1 298.308 3.711 20 30 CHEDMO CSc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620360 1127469005 /nfs/dbraw/zinc/46/90/05/1127469005.db2.gz MMKMMWZZFKXJQX-CYBMUJFWSA-N 1 1 260.406 3.534 20 30 CHEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000595603037 1127469236 /nfs/dbraw/zinc/46/92/36/1127469236.db2.gz WYWJEQMAMQIYBD-HNNXBMFYSA-N 1 1 254.377 3.744 20 30 CHEDMO CC1(C)C[N@@H+](CCCCC#N)CCc2ccccc21 ZINC000595635828 1127469260 /nfs/dbraw/zinc/46/92/60/1127469260.db2.gz XOGNBZGHKOVPPW-UHFFFAOYSA-N 1 1 256.393 3.516 20 30 CHEDMO CCCc1nc(C)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595632958 1127469748 /nfs/dbraw/zinc/46/97/48/1127469748.db2.gz MFFKIUDJXBNOIZ-UHFFFAOYSA-N 1 1 297.402 3.832 20 30 CHEDMO CC(C)COc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615319 1127471371 /nfs/dbraw/zinc/47/13/71/1127471371.db2.gz PVBKWBXMFITGDO-MRXNPFEDSA-N 1 1 286.419 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CC[N@@H+](CCC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437586166 1122644772 /nfs/dbraw/zinc/64/47/72/1122644772.db2.gz XRKPIYXFYBHGDX-IRXDYDNUSA-N 1 1 256.393 3.732 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C(C)(C)C1 ZINC000437817330 1122657877 /nfs/dbraw/zinc/65/78/77/1122657877.db2.gz BUCIEJHGGUHSOP-LLVKDONJSA-N 1 1 294.345 3.780 20 30 CHEDMO C#C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000775572640 1122678561 /nfs/dbraw/zinc/67/85/61/1122678561.db2.gz BYXFLLGNQNPRBC-BPNCWPANSA-N 1 1 298.213 3.825 20 30 CHEDMO C=CCCCC[N@H+]1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC001193211433 1122681210 /nfs/dbraw/zinc/68/12/10/1122681210.db2.gz WITHVGPWSGHWNN-LJQANCHMSA-N 1 1 286.463 3.939 20 30 CHEDMO C=CCCCCN1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001193211433 1122681211 /nfs/dbraw/zinc/68/12/11/1122681211.db2.gz WITHVGPWSGHWNN-LJQANCHMSA-N 1 1 286.463 3.939 20 30 CHEDMO C=CCCCCN1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001193211433 1122681212 /nfs/dbraw/zinc/68/12/12/1122681212.db2.gz 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3.564 20 30 CHEDMO N#CC1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000335856531 1123447426 /nfs/dbraw/zinc/44/74/26/1123447426.db2.gz NOQKMYRVSZNGER-UHFFFAOYSA-N 1 1 274.751 3.822 20 30 CHEDMO Cc1[nH+]c2ccccc2c(N2CCC[C@H](C#N)C2)c1C ZINC000895651123 1123499779 /nfs/dbraw/zinc/49/97/79/1123499779.db2.gz UHSYERLICPSLHM-CQSZACIVSA-N 1 1 265.360 3.592 20 30 CHEDMO CC[N@H+]1CCC(N=Nc2nc3ccccc3cc2C)[C@H](C)C1 ZINC000776782264 1123505101 /nfs/dbraw/zinc/50/51/01/1123505101.db2.gz HFHPECOCCAPTMB-CQSZACIVSA-N 1 1 296.418 3.673 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1C ZINC000776788308 1123505951 /nfs/dbraw/zinc/50/59/51/1123505951.db2.gz NCXQXQFMJXICHF-UHFFFAOYSA-N 1 1 292.357 3.641 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1C ZINC000776788308 1123505952 /nfs/dbraw/zinc/50/59/52/1123505952.db2.gz NCXQXQFMJXICHF-UHFFFAOYSA-N 1 1 292.357 3.641 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCc1ccccc1F ZINC000776790276 1123506214 /nfs/dbraw/zinc/50/62/14/1123506214.db2.gz GNQSXXJLHZJRFB-UHFFFAOYSA-N 1 1 282.362 3.680 20 30 CHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1nc(C(C)(C)C)co1 ZINC000895785002 1123514102 /nfs/dbraw/zinc/51/41/02/1123514102.db2.gz AQPDNEGNYUOVIL-UHFFFAOYSA-N 1 1 297.402 3.518 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc(C(C)(C)C)co1 ZINC000895785002 1123514105 /nfs/dbraw/zinc/51/41/05/1123514105.db2.gz AQPDNEGNYUOVIL-UHFFFAOYSA-N 1 1 297.402 3.518 20 30 CHEDMO C#CCCCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168035324 1123533042 /nfs/dbraw/zinc/53/30/42/1123533042.db2.gz SFRHDJDMXMTQQW-OPVJXMOQSA-N 1 1 298.474 3.821 20 30 CHEDMO Clc1cc2c(c(Cl)c1)C(=NNc1cc[nH+]cc1)CC2 ZINC000779810437 1129127940 /nfs/dbraw/zinc/12/79/40/1129127940.db2.gz AJNVJIZPUGQFEO-UHFFFAOYSA-N 1 1 292.169 3.573 20 30 CHEDMO N#CCCC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857866634 1123623298 /nfs/dbraw/zinc/62/32/98/1123623298.db2.gz CYYGQMCFGYECOQ-IRXDYDNUSA-N 1 1 294.402 3.812 20 30 CHEDMO C=CCCCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051871 1123630187 /nfs/dbraw/zinc/63/01/87/1123630187.db2.gz QHQIAVFSCKRJTE-QGZVFWFLSA-N 1 1 286.419 3.768 20 30 CHEDMO C=C1CC(c2noc(C[N@@H+](C)CCCCCC)n2)C1 ZINC000896885936 1123661067 /nfs/dbraw/zinc/66/10/67/1123661067.db2.gz ZBSYKPCKQOMOBO-UHFFFAOYSA-N 1 1 263.385 3.515 20 30 CHEDMO C=C1CC(c2noc(C[N@H+](C)CCCCCC)n2)C1 ZINC000896885936 1123661068 /nfs/dbraw/zinc/66/10/68/1123661068.db2.gz ZBSYKPCKQOMOBO-UHFFFAOYSA-N 1 1 263.385 3.515 20 30 CHEDMO CCCC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000158155342 1129139994 /nfs/dbraw/zinc/13/99/94/1129139994.db2.gz JYJOFURNOVOLII-UHFFFAOYSA-N 1 1 260.381 3.601 20 30 CHEDMO N#CCCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000346904611 1123729938 /nfs/dbraw/zinc/72/99/38/1123729938.db2.gz MDCJPAICIIPHOK-UHFFFAOYSA-N 1 1 274.383 3.917 20 30 CHEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000740423361 1123750858 /nfs/dbraw/zinc/75/08/58/1123750858.db2.gz HSEDCUHSVHYIRS-ZYHUDNBSSA-N 1 1 260.219 3.796 20 30 CHEDMO C#CC[N@@H+](Cc1ccnc(F)c1C)[C@@H]1CCc2ccccc21 ZINC000862211504 1123792047 /nfs/dbraw/zinc/79/20/47/1123792047.db2.gz IUFPXIONGNQTHY-GOSISDBHSA-N 1 1 294.373 3.652 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(F)c1C)[C@@H]1CCc2ccccc21 ZINC000862211504 1123792049 /nfs/dbraw/zinc/79/20/49/1123792049.db2.gz IUFPXIONGNQTHY-GOSISDBHSA-N 1 1 294.373 3.652 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(F)c1C ZINC000862223725 1123793040 /nfs/dbraw/zinc/79/30/40/1123793040.db2.gz FIJBTQUCVUHGHF-UHFFFAOYSA-N 1 1 297.377 3.813 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000862447588 1123810989 /nfs/dbraw/zinc/81/09/89/1123810989.db2.gz OTOOECJWFVZLKD-JTQLQIEISA-N 1 1 273.323 3.612 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000862444625 1123811117 /nfs/dbraw/zinc/81/11/17/1123811117.db2.gz DJOWHKJIAYFRNW-VIFPVBQESA-N 1 1 274.216 3.900 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000862444625 1123811120 /nfs/dbraw/zinc/81/11/20/1123811120.db2.gz DJOWHKJIAYFRNW-VIFPVBQESA-N 1 1 274.216 3.900 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000862445053 1123811487 /nfs/dbraw/zinc/81/14/87/1123811487.db2.gz KWEONKACDQOISR-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000862445067 1123811575 /nfs/dbraw/zinc/81/15/75/1123811575.db2.gz LESSPCWFFNAPLA-NSHDSACASA-N 1 1 299.748 3.787 20 30 CHEDMO CC#CC[N@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC000897169330 1123833926 /nfs/dbraw/zinc/83/39/26/1123833926.db2.gz NERSWWAQFVAWEI-UHFFFAOYSA-N 1 1 294.420 3.550 20 30 CHEDMO FC(F)(F)CCC(CCC(F)(F)F)=[NH+]n1cccn1 ZINC000863162714 1123848098 /nfs/dbraw/zinc/84/80/98/1123848098.db2.gz WRFBIGKGTQSYHB-UHFFFAOYSA-N 1 1 287.207 3.772 20 30 CHEDMO CC[N@@H+](CCCOC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000171499930 1123856501 /nfs/dbraw/zinc/85/65/01/1123856501.db2.gz VPPORJGYIFQOTN-HNNXBMFYSA-N 1 1 274.408 3.756 20 30 CHEDMO CC[N@@H+](CC1CCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794681090 1123926896 /nfs/dbraw/zinc/92/68/96/1123926896.db2.gz AJKJJOALQAEBAR-UHFFFAOYSA-N 1 1 294.402 3.501 20 30 CHEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428345447 1123931529 /nfs/dbraw/zinc/93/15/29/1123931529.db2.gz CCRGULCGQOFTSA-LBPRGKRZSA-N 1 1 283.350 3.506 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cnc(C2CCC2)s1 ZINC000159011638 1129156859 /nfs/dbraw/zinc/15/68/59/1129156859.db2.gz IWNGGPQNTXIISI-UHFFFAOYSA-N 1 1 250.411 3.809 20 30 CHEDMO C=CCCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000475461266 1123975899 /nfs/dbraw/zinc/97/58/99/1123975899.db2.gz XUKCOZRMKKEWEE-MRXNPFEDSA-N 1 1 292.467 3.504 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)s1 ZINC000614800181 1124028194 /nfs/dbraw/zinc/02/81/94/1124028194.db2.gz LNDAWVAEGAWQOW-VIFPVBQESA-N 1 1 277.780 3.519 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cccc(C#N)c1O ZINC000866227659 1124039573 /nfs/dbraw/zinc/03/95/73/1124039573.db2.gz BCPKRBJNFZPZIX-IAQYHMDHSA-N 1 1 282.343 3.585 20 30 CHEDMO CC(C)c1ncc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000440482208 1124044614 /nfs/dbraw/zinc/04/46/14/1124044614.db2.gz OMIQKSQMAPEURX-CQSZACIVSA-N 1 1 294.402 3.665 20 30 CHEDMO CC(C)c1ncc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000440482208 1124044619 /nfs/dbraw/zinc/04/46/19/1124044619.db2.gz OMIQKSQMAPEURX-CQSZACIVSA-N 1 1 294.402 3.665 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)CCCCC(C)(C)C#N ZINC000444651065 1124048709 /nfs/dbraw/zinc/04/87/09/1124048709.db2.gz UNQSXZZHLDPRQK-UHFFFAOYSA-N 1 1 263.429 3.968 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C ZINC000444658204 1124049851 /nfs/dbraw/zinc/04/98/51/1124049851.db2.gz MWUMERWCFMTCJP-RHSMWYFYSA-N 1 1 256.393 3.959 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1ccccc1O ZINC000444676557 1124051846 /nfs/dbraw/zinc/05/18/46/1124051846.db2.gz QWZTZYHWUMPRAI-UHFFFAOYSA-N 1 1 274.408 3.587 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1F)CC1(c2ccccc2)CC1 ZINC000444680059 1124053972 /nfs/dbraw/zinc/05/39/72/1124053972.db2.gz DAONSGFCUHMIBU-UHFFFAOYSA-N 1 1 294.373 3.861 20 30 CHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CC[C@H](C)C1 ZINC000444700851 1124055116 /nfs/dbraw/zinc/05/51/16/1124055116.db2.gz GBSGTPRWEIPVPT-JKSUJKDBSA-N 1 1 280.456 3.843 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cncc(C)c2)CCCC1(C)C ZINC000444777215 1124062160 /nfs/dbraw/zinc/06/21/60/1124062160.db2.gz RJRYRGYIULDDEK-INIZCTEOSA-N 1 1 258.409 3.957 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCc2cccnc2)CCCC1(C)C ZINC000444778966 1124064160 /nfs/dbraw/zinc/06/41/60/1124064160.db2.gz KGEQVGXJWCXBDF-INIZCTEOSA-N 1 1 258.409 3.691 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(C)n2)CCCC1(C)C ZINC000444791455 1124065606 /nfs/dbraw/zinc/06/56/06/1124065606.db2.gz MYXDPHCVXPMAJR-INIZCTEOSA-N 1 1 258.409 3.957 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000124159375 1124065844 /nfs/dbraw/zinc/06/58/44/1124065844.db2.gz CWYXYTPQVGLBNN-LJQANCHMSA-N 1 1 276.383 3.623 20 30 CHEDMO CCC1(CC)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000446724929 1124120639 /nfs/dbraw/zinc/12/06/39/1124120639.db2.gz CZVUNBXLSPORLF-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@@H]2CCCC[C@@H]12 ZINC000525308582 1124121909 /nfs/dbraw/zinc/12/19/09/1124121909.db2.gz VTIWOGQBSDYBMH-QLFBSQMISA-N 1 1 266.454 3.534 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000446831665 1124124739 /nfs/dbraw/zinc/12/47/39/1124124739.db2.gz HGCZMYYJQWCTGD-HNNXBMFYSA-N 1 1 294.398 3.802 20 30 CHEDMO C=CCc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc(OC)c1O ZINC000428455538 1124125070 /nfs/dbraw/zinc/12/50/70/1124125070.db2.gz SPQQYWHLXSLDAB-HOCLYGCPSA-N 1 1 287.403 3.504 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000428461919 1124129273 /nfs/dbraw/zinc/12/92/73/1124129273.db2.gz QMPKVBMVTNRHSB-RDJZCZTQSA-N 1 1 257.377 3.626 20 30 CHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000447085411 1124132032 /nfs/dbraw/zinc/13/20/32/1124132032.db2.gz ILBZISRKZNOWIK-AWEZNQCLSA-N 1 1 284.428 3.991 20 30 CHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000429714035 1124133426 /nfs/dbraw/zinc/13/34/26/1124133426.db2.gz FYJJWODGWQSZEZ-DZGCQCFKSA-N 1 1 292.810 3.733 20 30 CHEDMO C=CCC[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000635012924 1129170396 /nfs/dbraw/zinc/17/03/96/1129170396.db2.gz XCQDAIMYDIOGGX-SFHVURJKSA-N 1 1 296.414 3.722 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C2(CC2)C1 ZINC001237753703 1129177088 /nfs/dbraw/zinc/17/70/88/1129177088.db2.gz NPCZRWNZGBEWPS-NSHDSACASA-N 1 1 260.768 3.586 20 30 CHEDMO CCc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)ccc1C#N ZINC001238774740 1131244089 /nfs/dbraw/zinc/24/40/89/1131244089.db2.gz LBZBHQRKXOYIAW-IBGZPJMESA-N 1 1 291.398 3.505 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)c(Cl)c1 ZINC000122232322 1124478741 /nfs/dbraw/zinc/47/87/41/1124478741.db2.gz ORVMHNYXHSFOCL-SECBINFHSA-N 1 1 254.736 3.679 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001119818683 1131264567 /nfs/dbraw/zinc/26/45/67/1131264567.db2.gz YEASPHNICHSIBA-GOSISDBHSA-N 1 1 277.371 3.680 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1cccc2ccoc21)C1CC1 ZINC000449037850 1124637491 /nfs/dbraw/zinc/63/74/91/1124637491.db2.gz PRFKHXKEGQZOGC-GFCCVEGCSA-N 1 1 254.333 3.557 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2ccoc21)C1CC1 ZINC000449037850 1124637495 /nfs/dbraw/zinc/63/74/95/1124637495.db2.gz PRFKHXKEGQZOGC-GFCCVEGCSA-N 1 1 254.333 3.557 20 30 CHEDMO CN(CCC[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449066625 1124643776 /nfs/dbraw/zinc/64/37/76/1124643776.db2.gz DKDPLYRZLUKWJW-UHFFFAOYSA-N 1 1 299.462 3.571 20 30 CHEDMO C/C(Cl)=C/C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000528369476 1124650674 /nfs/dbraw/zinc/65/06/74/1124650674.db2.gz ZRYQNKWLHHIBGX-JYRVWZFOSA-N 1 1 262.784 3.911 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528545192 1124686759 /nfs/dbraw/zinc/68/67/59/1124686759.db2.gz DGSVEZZAFSNIEJ-LBPRGKRZSA-N 1 1 250.773 3.523 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000528722483 1124772634 /nfs/dbraw/zinc/77/26/34/1124772634.db2.gz ZLCMNVPCWVCKCU-DGCLKSJQSA-N 1 1 294.320 3.756 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000528722483 1124772642 /nfs/dbraw/zinc/77/26/42/1124772642.db2.gz ZLCMNVPCWVCKCU-DGCLKSJQSA-N 1 1 294.320 3.756 20 30 CHEDMO N#Cc1csc(C[NH+]2CC(c3ccc(Cl)cc3)C2)c1 ZINC000449558373 1124801006 /nfs/dbraw/zinc/80/10/06/1124801006.db2.gz XKCLQXWOLKBMFS-UHFFFAOYSA-N 1 1 288.803 3.873 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000449597078 1124813778 /nfs/dbraw/zinc/81/37/78/1124813778.db2.gz YQJWRBHLEZIVES-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000449597078 1124813788 /nfs/dbraw/zinc/81/37/88/1124813788.db2.gz YQJWRBHLEZIVES-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO C=CC[N@H+](Cc1cnn(C(C)C)c1)C1CCCCC1 ZINC001137081983 1124852222 /nfs/dbraw/zinc/85/22/22/1124852222.db2.gz XMFJKBGWGJPDHG-UHFFFAOYSA-N 1 1 261.413 3.785 20 30 CHEDMO C=C(CC)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449734678 1124853669 /nfs/dbraw/zinc/85/36/69/1124853669.db2.gz NXRZJTDRHCFOGT-DOTOQJQBSA-N 1 1 264.457 3.585 20 30 CHEDMO C=C(Br)C[NH2+][C@H](CC)c1ccccc1OC ZINC000125141223 1124853758 /nfs/dbraw/zinc/85/37/58/1124853758.db2.gz RVHREJRVCKWDPG-GFCCVEGCSA-N 1 1 284.197 3.645 20 30 CHEDMO C=C(Br)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000125152243 1124853789 /nfs/dbraw/zinc/85/37/89/1124853789.db2.gz SUEVXCPOEKUOTQ-JTQLQIEISA-N 1 1 280.165 3.992 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC000125598880 1124904876 /nfs/dbraw/zinc/90/48/76/1124904876.db2.gz HVRNKWGVXBFUIQ-UHFFFAOYSA-N 1 1 295.382 3.800 20 30 CHEDMO CC(C)[C@H](C)[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876522931 1124957217 /nfs/dbraw/zinc/95/72/17/1124957217.db2.gz GSJLREPPPICIIZ-NSHDSACASA-N 1 1 277.799 3.616 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000876663610 1124967811 /nfs/dbraw/zinc/96/78/11/1124967811.db2.gz ZGJJFTJKIXECPA-NXHRZFHOSA-N 1 1 286.419 3.514 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccsc2C(F)(F)F)CCC1 ZINC000529612564 1125011770 /nfs/dbraw/zinc/01/17/70/1125011770.db2.gz XFBHTKBYSDFOKR-UHFFFAOYSA-N 1 1 274.311 3.550 20 30 CHEDMO Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000877622562 1125056161 /nfs/dbraw/zinc/05/61/61/1125056161.db2.gz QKWVPJMRHSPSHE-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO Cc1scc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1C ZINC000877673675 1125063250 /nfs/dbraw/zinc/06/32/50/1125063250.db2.gz JWBWVRDCMXJKAF-UHFFFAOYSA-N 1 1 291.807 3.575 20 30 CHEDMO CC1(C)C[N@@H+](CC2(C#N)CCC2)C[C@H]1c1ccccc1 ZINC000450591345 1125066249 /nfs/dbraw/zinc/06/62/49/1125066249.db2.gz XBGGBQBEFUVVJE-INIZCTEOSA-N 1 1 268.404 3.806 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCC(F)(F)C1 ZINC000450700106 1125089468 /nfs/dbraw/zinc/08/94/68/1125089468.db2.gz SDMDYKGJYHNXRI-ZDUSSCGKSA-N 1 1 269.335 3.746 20 30 CHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC2(C#N)CCC2)c1 ZINC000450708222 1125092031 /nfs/dbraw/zinc/09/20/31/1125092031.db2.gz CDLLKEANPRIVFW-YOEHRIQHSA-N 1 1 284.403 3.772 20 30 CHEDMO CCCC[N@@H+](CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877908176 1125100446 /nfs/dbraw/zinc/10/04/46/1125100446.db2.gz QGDKHAFTLGJWII-GOSISDBHSA-N 1 1 286.419 3.549 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000450770518 1125100863 /nfs/dbraw/zinc/10/08/63/1125100863.db2.gz ZAZDUXVIXZCXSN-LLVKDONJSA-N 1 1 257.299 3.970 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC(C)(C)OC1(C)C ZINC000877916742 1125101622 /nfs/dbraw/zinc/10/16/22/1125101622.db2.gz JKPMATDMTWPPSB-MRXNPFEDSA-N 1 1 286.419 3.584 20 30 CHEDMO C=CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000877957222 1125105346 /nfs/dbraw/zinc/10/53/46/1125105346.db2.gz GSLWCSWUITYQPF-LLVKDONJSA-N 1 1 285.334 3.693 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1C(C)C)c1ccccc1 ZINC000877996394 1125111144 /nfs/dbraw/zinc/11/11/44/1125111144.db2.gz RMWLVERFVIEVDP-RBUKOAKNSA-N 1 1 298.430 3.547 20 30 CHEDMO Cc1conc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000878010787 1125112193 /nfs/dbraw/zinc/11/21/93/1125112193.db2.gz RKGKWOSYHXHCTF-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO Cc1conc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000878010787 1125112197 /nfs/dbraw/zinc/11/21/97/1125112197.db2.gz RKGKWOSYHXHCTF-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878088573 1125118292 /nfs/dbraw/zinc/11/82/92/1125118292.db2.gz SNZFBPNMRUZIHF-FCEWJHQRSA-N 1 1 298.430 3.690 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H](C)CC1(C)C)c1ccccc1 ZINC000878158507 1125126303 /nfs/dbraw/zinc/12/63/03/1125126303.db2.gz IFTSUDAFYNCRMY-KXBFYZLASA-N 1 1 298.430 3.547 20 30 CHEDMO C#CCCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000878173920 1125127946 /nfs/dbraw/zinc/12/79/46/1125127946.db2.gz FABHAOKYDXGJGG-HOTGVXAUSA-N 1 1 291.460 3.830 20 30 CHEDMO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1Cl ZINC000878364601 1125145194 /nfs/dbraw/zinc/14/51/94/1125145194.db2.gz LSQUSINWQCDODJ-UHFFFAOYSA-N 1 1 297.789 3.694 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000878400270 1125149280 /nfs/dbraw/zinc/14/92/80/1125149280.db2.gz ABLSONIWAPSVKI-VXGBXAGGSA-N 1 1 287.329 3.503 20 30 CHEDMO C#CCCCCC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000878429293 1125153450 /nfs/dbraw/zinc/15/34/50/1125153450.db2.gz ZVVVQYUPRQCULJ-RDJZCZTQSA-N 1 1 256.393 3.658 20 30 CHEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000878547262 1125161290 /nfs/dbraw/zinc/16/12/90/1125161290.db2.gz BLDTWNDMWJFVPY-MRXNPFEDSA-N 1 1 273.424 3.624 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000878701621 1125173499 /nfs/dbraw/zinc/17/34/99/1125173499.db2.gz UAURJGLFZQAQKT-CHWSQXEVSA-N 1 1 291.357 3.632 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000530902115 1125185787 /nfs/dbraw/zinc/18/57/87/1125185787.db2.gz JGRBGAUMAWMZOD-OAHLLOKOSA-N 1 1 292.382 3.556 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccccc1C#N ZINC000531202337 1125200854 /nfs/dbraw/zinc/20/08/54/1125200854.db2.gz JPYUJJPLWSZGDD-DNVCBOLYSA-N 1 1 276.383 3.936 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)nc1Cl ZINC000879432303 1125213945 /nfs/dbraw/zinc/21/39/45/1125213945.db2.gz HRAHLFJRNCTABV-UHFFFAOYSA-N 1 1 299.805 3.590 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)c(Br)cn2)C1 ZINC000628406290 1125218012 /nfs/dbraw/zinc/21/80/12/1125218012.db2.gz GQRWZVCPVRNHKQ-GFCCVEGCSA-N 1 1 295.224 3.551 20 30 CHEDMO Cc1c(Cl)ccc2c1C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000879769908 1125233079 /nfs/dbraw/zinc/23/30/79/1125233079.db2.gz XGBKAWVCPYKVPG-JSGCOSHPSA-N 1 1 274.795 3.699 20 30 CHEDMO Cc1cccc2c(C[N@H+](CCC#N)C3CCCC3)[nH]nc21 ZINC001137146602 1125234440 /nfs/dbraw/zinc/23/44/40/1125234440.db2.gz QJYXWKSTBGTKBE-UHFFFAOYSA-N 1 1 282.391 3.530 20 30 CHEDMO Cc1cccc2c(C[N@@H+](CCC#N)C3CCCC3)[nH]nc21 ZINC001137146602 1125234444 /nfs/dbraw/zinc/23/44/44/1125234444.db2.gz QJYXWKSTBGTKBE-UHFFFAOYSA-N 1 1 282.391 3.530 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880010762 1125244920 /nfs/dbraw/zinc/24/49/20/1125244920.db2.gz DKFOIKAVLBPKCY-CYBMUJFWSA-N 1 1 250.411 3.597 20 30 CHEDMO Cc1csc([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000880012402 1125245682 /nfs/dbraw/zinc/24/56/82/1125245682.db2.gz RJDCNBIFXSNWGP-AWEZNQCLSA-N 1 1 291.464 3.961 20 30 CHEDMO CCC1(CC)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000880094350 1125250810 /nfs/dbraw/zinc/25/08/10/1125250810.db2.gz GTAAUEFDZACRKW-UHFFFAOYSA-N 1 1 278.440 3.742 20 30 CHEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001168146823 1125263726 /nfs/dbraw/zinc/26/37/26/1125263726.db2.gz STTIVKQXBHDUOY-CQSZACIVSA-N 1 1 274.383 3.955 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880317964 1125264873 /nfs/dbraw/zinc/26/48/73/1125264873.db2.gz UIMMZZZQIHKIOY-WFASDCNBSA-N 1 1 283.400 3.565 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccccc1Oc1cccnc1 ZINC000191077026 1125322578 /nfs/dbraw/zinc/32/25/78/1125322578.db2.gz NURGZCDHRWDQEG-UHFFFAOYSA-N 1 1 298.386 3.508 20 30 CHEDMO CSCC[C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000235039920 1125333574 /nfs/dbraw/zinc/33/35/74/1125333574.db2.gz AXBLMLNXQQDXQW-CYBMUJFWSA-N 1 1 256.459 3.780 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000399067546 1125339380 /nfs/dbraw/zinc/33/93/80/1125339380.db2.gz CDSVAJUWPBLNOT-SFHVURJKSA-N 1 1 268.404 3.907 20 30 CHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399012280 1125339449 /nfs/dbraw/zinc/33/94/49/1125339449.db2.gz YVIDGLMQGLOQAX-MRXNPFEDSA-N 1 1 256.393 3.621 20 30 CHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001168181035 1125348713 /nfs/dbraw/zinc/34/87/13/1125348713.db2.gz WGISQQXYMIERAD-DZGCQCFKSA-N 1 1 276.811 3.897 20 30 CHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000051231156 1125351334 /nfs/dbraw/zinc/35/13/34/1125351334.db2.gz WPKWEGVFASBGPV-MRXNPFEDSA-N 1 1 298.411 3.836 20 30 CHEDMO CC(C)CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000129826478 1125351982 /nfs/dbraw/zinc/35/19/82/1125351982.db2.gz UXNKHVUFQNMXTQ-HNNXBMFYSA-N 1 1 286.419 3.988 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1C#N ZINC000191310987 1125358504 /nfs/dbraw/zinc/35/85/04/1125358504.db2.gz KBRYRFWVXYMIES-SFHVURJKSA-N 1 1 293.414 3.666 20 30 CHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191355444 1125358569 /nfs/dbraw/zinc/35/85/69/1125358569.db2.gz SBJSVCOYPITKLY-GOSISDBHSA-N 1 1 281.403 3.726 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1csc(Br)c1 ZINC000060977796 1125362733 /nfs/dbraw/zinc/36/27/33/1125362733.db2.gz TYIBPRHNHUDOGA-UHFFFAOYSA-N 1 1 274.227 3.909 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168188895 1125366213 /nfs/dbraw/zinc/36/62/13/1125366213.db2.gz PARYQKDCCMYQKS-UONOGXRCSA-N 1 1 261.796 3.616 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(CC=C)nn1)c1ccccc1 ZINC000883230794 1125381203 /nfs/dbraw/zinc/38/12/03/1125381203.db2.gz QOPPCDGAWDPIMZ-GOSISDBHSA-N 1 1 296.418 3.651 20 30 CHEDMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1cccc(C#N)c1 ZINC000610860060 1125383890 /nfs/dbraw/zinc/38/38/90/1125383890.db2.gz VINHQAGKIVXKQV-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO N#Cc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883384168 1125407762 /nfs/dbraw/zinc/40/77/62/1125407762.db2.gz MSBHGZAYHUGFGE-ZWKOTPCHSA-N 1 1 280.346 3.673 20 30 CHEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCC1CC1 ZINC001253241343 1125419323 /nfs/dbraw/zinc/41/93/23/1125419323.db2.gz UUJBXRKYAMHUAX-MRXNPFEDSA-N 1 1 253.430 3.606 20 30 CHEDMO CC1CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001168224457 1125421215 /nfs/dbraw/zinc/42/12/15/1125421215.db2.gz OZOMQTKKYDDEPD-KVWWFHCMSA-N 1 1 298.430 3.980 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC000348231817 1125422267 /nfs/dbraw/zinc/42/22/67/1125422267.db2.gz HZSQUZUPMWSQRF-UHFFFAOYSA-N 1 1 252.361 3.660 20 30 CHEDMO N#Cc1csc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000130156220 1125429108 /nfs/dbraw/zinc/42/91/08/1125429108.db2.gz JPHQQMDGNCYPFS-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO N#Cc1csc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000130156220 1125429110 /nfs/dbraw/zinc/42/91/10/1125429110.db2.gz JPHQQMDGNCYPFS-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO C=CCCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000348259702 1125448892 /nfs/dbraw/zinc/44/88/92/1125448892.db2.gz ACJBCPFOVUPAIR-UHFFFAOYSA-N 1 1 274.408 3.799 20 30 CHEDMO C[N@H+](CCC#N)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000108374156 1125453981 /nfs/dbraw/zinc/45/39/81/1125453981.db2.gz JBJWJOJZCJNJFN-UHFFFAOYSA-N 1 1 296.418 3.635 20 30 CHEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673956 1129181664 /nfs/dbraw/zinc/18/16/64/1129181664.db2.gz VITJGFBOOKOKSI-OAHLLOKOSA-N 1 1 281.440 3.765 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1 ZINC000245564200 1129211647 /nfs/dbraw/zinc/21/16/47/1129211647.db2.gz QHQWFEJMIISNQN-LSDHHAIUSA-N 1 1 272.392 3.599 20 30 CHEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245786137 1129225719 /nfs/dbraw/zinc/22/57/19/1129225719.db2.gz VFYMYJFNUSRJDG-ZIAGYGMSSA-N 1 1 292.448 3.551 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000348053872 1129275292 /nfs/dbraw/zinc/27/52/92/1129275292.db2.gz WXRHQZXXFJADIT-CABCVRRESA-N 1 1 263.381 3.645 20 30 CHEDMO C=CCOCCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000348065445 1129279351 /nfs/dbraw/zinc/27/93/51/1129279351.db2.gz ZKMHMDGOTFAPEJ-GOSISDBHSA-N 1 1 271.404 3.731 20 30 CHEDMO C=CC[C@@](C)([NH2+]C(CCCC)CCCC)C(=O)OC ZINC001258384965 1129315587 /nfs/dbraw/zinc/31/55/87/1129315587.db2.gz MLHJSBBTZKQSEF-MRXNPFEDSA-N 1 1 269.429 3.833 20 30 CHEDMO C=CC[N@@H+](Cc1cccc2c1CCOC2)C(C)(C)C ZINC000639826901 1129336481 /nfs/dbraw/zinc/33/64/81/1129336481.db2.gz FLVPHJFNDDUCNV-UHFFFAOYSA-N 1 1 259.393 3.546 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000735492687 1129349558 /nfs/dbraw/zinc/34/95/58/1129349558.db2.gz SLQSRQATZOZRGD-UHFFFAOYSA-N 1 1 251.345 3.622 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000735562943 1129351975 /nfs/dbraw/zinc/35/19/75/1129351975.db2.gz QOGLTAMFIQHZGW-UHFFFAOYSA-N 1 1 260.425 3.931 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000735925805 1129361172 /nfs/dbraw/zinc/36/11/72/1129361172.db2.gz SNESZCYSPATAAM-UHFFFAOYSA-N 1 1 288.778 3.503 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000091919481 1129374831 /nfs/dbraw/zinc/37/48/31/1129374831.db2.gz HTFUUAJBCJJUEK-MRXNPFEDSA-N 1 1 285.435 3.658 20 30 CHEDMO CCC[N@@H+](Cc1ccccc1O)CC(C)(C)CCC#N ZINC000092705084 1129404618 /nfs/dbraw/zinc/40/46/18/1129404618.db2.gz UTIWKPOQKISIKI-UHFFFAOYSA-N 1 1 274.408 3.934 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC000739914890 1129409666 /nfs/dbraw/zinc/40/96/66/1129409666.db2.gz RHCQDIVSCSEUAP-UHFFFAOYSA-N 1 1 285.366 3.746 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1 ZINC000248373320 1129414935 /nfs/dbraw/zinc/41/49/35/1129414935.db2.gz HYCQNNPASQMFRF-SFUIVIKGSA-N 1 1 298.430 3.988 20 30 CHEDMO Cc1cc(C)cc(CC/[NH+]=C/c2ccccc2O)c1 ZINC000740763893 1129419158 /nfs/dbraw/zinc/41/91/58/1129419158.db2.gz SNSUEXBVNWPCRH-LDADJPATSA-N 1 1 253.345 3.671 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000740875895 1129421786 /nfs/dbraw/zinc/42/17/86/1129421786.db2.gz KZRUCYMMRTXEHD-MRXNPFEDSA-N 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C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1C ZINC000741778495 1129452139 /nfs/dbraw/zinc/45/21/39/1129452139.db2.gz GWKYNOHNTCGWFW-IBGZPJMESA-N 1 1 281.399 3.717 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000741793378 1129453018 /nfs/dbraw/zinc/45/30/18/1129453018.db2.gz JOMXLBNNKWBDAE-HZPDHXFCSA-N 1 1 286.419 3.838 20 30 CHEDMO CCCCCCCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000742137977 1129467811 /nfs/dbraw/zinc/46/78/11/1129467811.db2.gz PQWVYAMYIRHEPH-MRXNPFEDSA-N 1 1 282.472 3.680 20 30 CHEDMO C=C[C@@H]1C[C@@]1([NH2+][C@H](CCC)CCCCC)C(=O)OCC ZINC001258667715 1129480389 /nfs/dbraw/zinc/48/03/89/1129480389.db2.gz SBTIUCCZZCNQQC-INMHGKMJSA-N 1 1 281.440 3.833 20 30 CHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCCC1 ZINC000822365744 1131378574 /nfs/dbraw/zinc/37/85/74/1131378574.db2.gz VNEOAHQMOPNMEO-UHFFFAOYSA-N 1 1 286.419 3.573 20 30 CHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001137568196 1131378936 /nfs/dbraw/zinc/37/89/36/1131378936.db2.gz CNTJHGHBUAZNOH-IAGOWNOFSA-N 1 1 296.499 3.926 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccc(C)cc1 ZINC000743263198 1129518631 /nfs/dbraw/zinc/51/86/31/1129518631.db2.gz HYZVSEDSLYCCEV-IBGZPJMESA-N 1 1 299.389 3.856 20 30 CHEDMO C=C(Br)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000743854331 1129539725 /nfs/dbraw/zinc/53/97/25/1129539725.db2.gz UHFDEICOENITMP-GRYCIOLGSA-N 1 1 258.203 3.548 20 30 CHEDMO C=CCCCC[N@@H+]1CCCC[C@]12CC(=O)N([C@@H](C)CC)C2 ZINC001276346379 1129541425 /nfs/dbraw/zinc/54/14/25/1129541425.db2.gz TXOZIOJVUNIOEI-FUHWJXTLSA-N 1 1 292.467 3.598 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCOc1cccc(C#N)c1 ZINC000303669006 1129550532 /nfs/dbraw/zinc/55/05/32/1129550532.db2.gz FVDWBDPPYQJAFO-QGPMSJSTSA-N 1 1 284.403 3.590 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000744423868 1129577283 /nfs/dbraw/zinc/57/72/83/1129577283.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 1 254.462 3.621 20 30 CHEDMO CCCCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000744423868 1129577285 /nfs/dbraw/zinc/57/72/85/1129577285.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 1 254.462 3.621 20 30 CHEDMO CCCCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000744423868 1129577288 /nfs/dbraw/zinc/57/72/88/1129577288.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 1 254.462 3.621 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001137610777 1131384736 /nfs/dbraw/zinc/38/47/36/1131384736.db2.gz FUMDWYSKWYGHPE-GVDBMIGSSA-N 1 1 296.499 3.924 20 30 CHEDMO CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000746108757 1129626425 /nfs/dbraw/zinc/62/64/25/1129626425.db2.gz ATEIEEXVWGSDGK-UHFFFAOYSA-N 1 1 298.386 3.831 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000746156499 1129627600 /nfs/dbraw/zinc/62/76/00/1129627600.db2.gz LFIBRFVBSMZQTI-AWEZNQCLSA-N 1 1 255.386 3.945 20 30 CHEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000042267247 1129636710 /nfs/dbraw/zinc/63/67/10/1129636710.db2.gz ODZDLEBCMBEFGU-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000828468643 1131387350 /nfs/dbraw/zinc/38/73/50/1131387350.db2.gz TUVCODRTTWWKBE-CABCVRRESA-N 1 1 296.455 3.578 20 30 CHEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1cccc(C#N)c1 ZINC000822570017 1131388156 /nfs/dbraw/zinc/38/81/56/1131388156.db2.gz DSKGDYZYVXDANF-CYBMUJFWSA-N 1 1 283.202 3.574 20 30 CHEDMO C=C(Br)C[N@H+](C)C1CCC(CC)CC1 ZINC000389302101 1129656412 /nfs/dbraw/zinc/65/64/12/1129656412.db2.gz MJCVKHJNRYUVOS-UHFFFAOYSA-N 1 1 260.219 3.796 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001169396217 1129725227 /nfs/dbraw/zinc/72/52/27/1129725227.db2.gz PZZIBGQWIPXDCM-CVEARBPZSA-N 1 1 283.419 3.713 20 30 CHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCCOC2)cc1 ZINC001169667372 1129745833 /nfs/dbraw/zinc/74/58/33/1129745833.db2.gz IXFHQICGBAUKHB-ZWKOTPCHSA-N 1 1 286.419 3.600 20 30 CHEDMO CCCCCCCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC001169809698 1129757559 /nfs/dbraw/zinc/75/75/59/1129757559.db2.gz CKTSZXOKSQAQTN-MDZRGWNJSA-N 1 1 287.513 3.968 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC001169809698 1129757564 /nfs/dbraw/zinc/75/75/64/1129757564.db2.gz CKTSZXOKSQAQTN-MDZRGWNJSA-N 1 1 287.513 3.968 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001169843724 1129760206 /nfs/dbraw/zinc/76/02/06/1129760206.db2.gz IXCJWEOBYHCKBY-ZDUSSCGKSA-N 1 1 255.386 3.869 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccnc(N(C)C)c2)CCCC1(C)C ZINC001169843702 1129760265 /nfs/dbraw/zinc/76/02/65/1129760265.db2.gz IEAUGIBUHRZZDB-MRXNPFEDSA-N 1 1 287.451 3.714 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001169865046 1129762889 /nfs/dbraw/zinc/76/28/89/1129762889.db2.gz WZXAOIKIDMXVAB-MRXNPFEDSA-N 1 1 258.409 3.602 20 30 CHEDMO C#CCCC[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000766894921 1129769006 /nfs/dbraw/zinc/76/90/06/1129769006.db2.gz HHSXFGXOKJWPEW-IEBWSBKVSA-N 1 1 284.447 3.557 20 30 CHEDMO C#CCCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000766895227 1129769253 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ZINC000768153866 1129836444 /nfs/dbraw/zinc/83/64/44/1129836444.db2.gz NNVMAZXLVWLTLY-UHFFFAOYSA-N 1 1 267.376 3.606 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1nccc2ccccc21 ZINC000768153866 1129836447 /nfs/dbraw/zinc/83/64/47/1129836447.db2.gz NNVMAZXLVWLTLY-UHFFFAOYSA-N 1 1 267.376 3.606 20 30 CHEDMO COc1ccc(C)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000768201093 1129838885 /nfs/dbraw/zinc/83/88/85/1129838885.db2.gz RLFHQQODTOMRKP-UHFFFAOYSA-N 1 1 286.400 3.569 20 30 CHEDMO COc1ccc(C)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768201093 1129838891 /nfs/dbraw/zinc/83/88/91/1129838891.db2.gz RLFHQQODTOMRKP-UHFFFAOYSA-N 1 1 286.400 3.569 20 30 CHEDMO CCCCCCCC[C@@H]([NH3+])c1nc([C@H]2CCCO2)no1 ZINC000900012010 1129856860 /nfs/dbraw/zinc/85/68/60/1129856860.db2.gz PEASJYQGMOZEOC-CHWSQXEVSA-N 1 1 281.400 3.672 20 30 CHEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000768418113 1129858385 /nfs/dbraw/zinc/85/83/85/1129858385.db2.gz UGZXAUHNQMQHFC-AWEZNQCLSA-N 1 1 285.412 3.953 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C(C)C ZINC000768548239 1129863230 /nfs/dbraw/zinc/86/32/30/1129863230.db2.gz YQBGHJQJRUCSGH-UHFFFAOYSA-N 1 1 291.345 3.751 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C(C)C ZINC000768547400 1129864666 /nfs/dbraw/zinc/86/46/66/1129864666.db2.gz KZMPCCSTJUMHQA-UHFFFAOYSA-N 1 1 269.392 3.782 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C(C)C ZINC000768547399 1129865320 /nfs/dbraw/zinc/86/53/20/1129865320.db2.gz KYLVWZVSQRWCRN-UHFFFAOYSA-N 1 1 273.355 3.612 20 30 CHEDMO COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(C#N)c1 ZINC001137705909 1131403766 /nfs/dbraw/zinc/40/37/66/1131403766.db2.gz GMPPAUYESUCCHB-CQSZACIVSA-N 1 1 292.382 3.514 20 30 CHEDMO COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c(C#N)c1 ZINC001137705909 1131403767 /nfs/dbraw/zinc/40/37/67/1131403767.db2.gz GMPPAUYESUCCHB-CQSZACIVSA-N 1 1 292.382 3.514 20 30 CHEDMO C#CC[N@@H+](CC)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000769112028 1129891282 /nfs/dbraw/zinc/89/12/82/1129891282.db2.gz WIPMUCPBBITWSC-UHFFFAOYSA-N 1 1 270.401 3.574 20 30 CHEDMO C#CC[N@H+](CC)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000769112028 1129891290 /nfs/dbraw/zinc/89/12/90/1129891290.db2.gz WIPMUCPBBITWSC-UHFFFAOYSA-N 1 1 270.401 3.574 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc2cc[nH]c21 ZINC000769146388 1129892523 /nfs/dbraw/zinc/89/25/23/1129892523.db2.gz UOWLVIQFTZZHRP-UHFFFAOYSA-N 1 1 292.357 3.942 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2)cc1C#N ZINC001170002090 1129897471 /nfs/dbraw/zinc/89/74/71/1129897471.db2.gz LYFJIYBPGGODMZ-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1 ZINC000769335499 1129902998 /nfs/dbraw/zinc/90/29/98/1129902998.db2.gz KJUMITODHXEGAG-UHFFFAOYSA-N 1 1 287.451 3.904 20 30 CHEDMO C#CCCOc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000769337381 1129903548 /nfs/dbraw/zinc/90/35/48/1129903548.db2.gz IBYICVXTHZQYIS-UHFFFAOYSA-N 1 1 277.367 3.605 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC000769434147 1129908087 /nfs/dbraw/zinc/90/80/87/1129908087.db2.gz MYYZYSDTILKMLT-UHFFFAOYSA-N 1 1 275.392 3.728 20 30 CHEDMO C=CCCC[N@H+](C)Cn1nc(Cl)c2ccccc21 ZINC000769647356 1129920075 /nfs/dbraw/zinc/92/00/75/1129920075.db2.gz KQYQFSWVKNYJQU-UHFFFAOYSA-N 1 1 263.772 3.545 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccsc1 ZINC000801571350 1129928428 /nfs/dbraw/zinc/92/84/28/1129928428.db2.gz XYNOHSAENHXEBT-SNVBAGLBSA-N 1 1 260.337 3.610 20 30 CHEDMO C=CC[C@H]1[N@H+](CCCCCCO)CCCC1(C)C ZINC000769954857 1129931637 /nfs/dbraw/zinc/93/16/37/1129931637.db2.gz XTRJWDWGWUROKW-OAHLLOKOSA-N 1 1 253.430 3.606 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000769962280 1129931948 /nfs/dbraw/zinc/93/19/48/1129931948.db2.gz DUSUAYHMKNSAHN-SECBINFHSA-N 1 1 286.600 3.556 20 30 CHEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2ccccc2)CCCC1(C)C ZINC000769953747 1129931986 /nfs/dbraw/zinc/93/19/86/1129931986.db2.gz PJSBFKOHBVUBNW-DLBZAZTESA-N 1 1 273.420 3.787 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000769962282 1129932184 /nfs/dbraw/zinc/93/21/84/1129932184.db2.gz DUSUAYHMKNSAHN-VIFPVBQESA-N 1 1 286.600 3.556 20 30 CHEDMO Cc1cn(CC#Cc2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC000901530425 1129933745 /nfs/dbraw/zinc/93/37/45/1129933745.db2.gz RUNOLHKOTFPVOL-UHFFFAOYSA-N 1 1 278.277 3.570 20 30 CHEDMO CC1CCC(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000770393624 1129945988 /nfs/dbraw/zinc/94/59/88/1129945988.db2.gz ZMEPWWNTYHJFTP-LADRWXRNSA-N 1 1 298.430 3.758 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccccc1O ZINC000770511081 1129948722 /nfs/dbraw/zinc/94/87/22/1129948722.db2.gz YYFIAIQBDLDRCJ-UHFFFAOYSA-N 1 1 267.372 3.623 20 30 CHEDMO C#CCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000770688395 1129954632 /nfs/dbraw/zinc/95/46/32/1129954632.db2.gz XNQKGSLZRIWGMW-AWEZNQCLSA-N 1 1 299.361 3.819 20 30 CHEDMO C#CCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000770688395 1129954635 /nfs/dbraw/zinc/95/46/35/1129954635.db2.gz XNQKGSLZRIWGMW-AWEZNQCLSA-N 1 1 299.361 3.819 20 30 CHEDMO C#CCC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000770688396 1129955100 /nfs/dbraw/zinc/95/51/00/1129955100.db2.gz XNQKGSLZRIWGMW-CQSZACIVSA-N 1 1 299.361 3.819 20 30 CHEDMO C#CCC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000770688396 1129955104 /nfs/dbraw/zinc/95/51/04/1129955104.db2.gz XNQKGSLZRIWGMW-CQSZACIVSA-N 1 1 299.361 3.819 20 30 CHEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CCO[C@H](C)C#N)o1 ZINC000801922909 1129958988 /nfs/dbraw/zinc/95/89/88/1129958988.db2.gz SNTQSYSQSJAQEN-GDBMZVCRSA-N 1 1 290.407 3.688 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000801926069 1129960170 /nfs/dbraw/zinc/96/01/70/1129960170.db2.gz MRCNISOYYVFZLX-CYYVBXFOSA-N 1 1 298.430 3.873 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000801925082 1129960225 /nfs/dbraw/zinc/96/02/25/1129960225.db2.gz ZEEVJPWLDRRFAT-MCIONIFRSA-N 1 1 294.826 3.692 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(COC)o1)[C@H]1CCc2ccccc21 ZINC000772599152 1130032623 /nfs/dbraw/zinc/03/26/23/1130032623.db2.gz NRZYPLBJOQOGLT-IBGZPJMESA-N 1 1 295.382 3.549 20 30 CHEDMO C#CC[N@H+](Cc1ccc(COC)o1)[C@H]1CCc2ccccc21 ZINC000772599152 1130032627 /nfs/dbraw/zinc/03/26/27/1130032627.db2.gz NRZYPLBJOQOGLT-IBGZPJMESA-N 1 1 295.382 3.549 20 30 CHEDMO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902806305 1130061618 /nfs/dbraw/zinc/06/16/18/1130061618.db2.gz JUWAKLUGFFRYBL-PBHICJAKSA-N 1 1 294.402 3.705 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CCC1 ZINC000903031510 1130102113 /nfs/dbraw/zinc/10/21/13/1130102113.db2.gz LDELSKQTBUXYCS-CQSZACIVSA-N 1 1 260.768 3.611 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC1 ZINC000903033539 1130102874 /nfs/dbraw/zinc/10/28/74/1130102874.db2.gz WVECCHNFVHWTEG-CQSZACIVSA-N 1 1 260.768 3.611 20 30 CHEDMO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035380 1130102914 /nfs/dbraw/zinc/10/29/14/1130102914.db2.gz NSHKRIFSGWKJQF-LLVKDONJSA-N 1 1 278.783 3.693 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903032384 1130103129 /nfs/dbraw/zinc/10/31/29/1130103129.db2.gz RTZMAJBWQGAWGY-NSHDSACASA-N 1 1 277.437 3.919 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1F ZINC000903043364 1130104121 /nfs/dbraw/zinc/10/41/21/1130104121.db2.gz XCDNKPYHYNPDAP-MLGOLLRUSA-N 1 1 283.350 3.894 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000903102039 1130112396 /nfs/dbraw/zinc/11/23/96/1130112396.db2.gz QHJRHYADVHBBLP-CYBMUJFWSA-N 1 1 297.324 3.617 20 30 CHEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1F ZINC000903106604 1130113232 /nfs/dbraw/zinc/11/32/32/1130113232.db2.gz SGHMMTWLDKTICF-CQSZACIVSA-N 1 1 264.319 3.555 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000903106052 1130113306 /nfs/dbraw/zinc/11/33/06/1130113306.db2.gz LUAOZVXJYRQCLO-AWEZNQCLSA-N 1 1 260.768 3.611 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)c(F)c1 ZINC000903105990 1130113649 /nfs/dbraw/zinc/11/36/49/1130113649.db2.gz KNAJOGPVCLLFMJ-SECBINFHSA-N 1 1 297.171 3.543 20 30 CHEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCCC2)cccc1[N+](=O)[O-] ZINC000903107752 1130114309 /nfs/dbraw/zinc/11/43/09/1130114309.db2.gz DINXZZKVVRNFRJ-ZDUSSCGKSA-N 1 1 287.363 3.638 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cnn(-c2ccccc2)c1 ZINC000903108444 1130114339 /nfs/dbraw/zinc/11/43/39/1130114339.db2.gz RXWMLSKMLYVIBE-HNNXBMFYSA-N 1 1 294.402 3.607 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCC1 ZINC000903109265 1130114641 /nfs/dbraw/zinc/11/46/41/1130114641.db2.gz LSPZZRXUDNJLRT-HNNXBMFYSA-N 1 1 288.366 3.713 20 30 CHEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCCC2)cnn1C(C)C ZINC000903109988 1130115830 /nfs/dbraw/zinc/11/58/30/1130115830.db2.gz XXEHJGFOTLHRSZ-ZDUSSCGKSA-N 1 1 274.412 3.507 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1csc(Cl)c1 ZINC000786934304 1130124249 /nfs/dbraw/zinc/12/42/49/1130124249.db2.gz JCZWVMLPHOUVCY-SECBINFHSA-N 1 1 277.780 3.519 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)nc1C ZINC000787103084 1130131578 /nfs/dbraw/zinc/13/15/78/1130131578.db2.gz POMSNBOLADAGHF-UHFFFAOYSA-N 1 1 270.351 3.717 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)nc1C ZINC000787103084 1130131581 /nfs/dbraw/zinc/13/15/81/1130131581.db2.gz POMSNBOLADAGHF-UHFFFAOYSA-N 1 1 270.351 3.717 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000746676066 1130146176 /nfs/dbraw/zinc/14/61/76/1130146176.db2.gz ZFBFBSCIIJWOII-QGZVFWFLSA-N 1 1 279.399 3.846 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@H]1CCCO1 ZINC000903313171 1130152215 /nfs/dbraw/zinc/15/22/15/1130152215.db2.gz JMQFVWWCPULKDW-ZIAGYGMSSA-N 1 1 292.423 3.576 20 30 CHEDMO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F ZINC000903335336 1130160370 /nfs/dbraw/zinc/16/03/70/1130160370.db2.gz NZKUYMTXDDXWFM-SGTLLEGYSA-N 1 1 295.361 3.894 20 30 CHEDMO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F ZINC000903335335 1130160615 /nfs/dbraw/zinc/16/06/15/1130160615.db2.gz NZKUYMTXDDXWFM-KZULUSFZSA-N 1 1 295.361 3.894 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000787996933 1130168422 /nfs/dbraw/zinc/16/84/22/1130168422.db2.gz CFJZYKFJCZCVGV-UHFFFAOYSA-N 1 1 272.779 3.732 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccc(OC)o2)CCCC1(C)C ZINC001462158618 1130210702 /nfs/dbraw/zinc/21/07/02/1130210702.db2.gz VRBCUABROWWXLU-CQSZACIVSA-N 1 1 263.381 3.855 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001170094514 1130223946 /nfs/dbraw/zinc/22/39/46/1130223946.db2.gz IFQUKEFNWMYSIB-RBUKOAKNSA-N 1 1 279.358 3.817 20 30 CHEDMO COc1ccc(Cl)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001137265268 1130271938 /nfs/dbraw/zinc/27/19/38/1130271938.db2.gz WSCFTPMIXLNULN-DEZZGGKRSA-N 1 1 290.794 3.615 20 30 CHEDMO COc1ccc(Cl)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001137265268 1130271942 /nfs/dbraw/zinc/27/19/42/1130271942.db2.gz WSCFTPMIXLNULN-DEZZGGKRSA-N 1 1 290.794 3.615 20 30 CHEDMO C=CC[N@H+](Cc1nc2ccccn2c1C)C1CCCCC1 ZINC001137275648 1130279129 /nfs/dbraw/zinc/27/91/29/1130279129.db2.gz GGHKEQWSCZPKOY-UHFFFAOYSA-N 1 1 283.419 3.963 20 30 CHEDMO Cc1ccc(C#N)nc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240384708 1130285260 /nfs/dbraw/zinc/28/52/60/1130285260.db2.gz PTKDEVLEIJJILE-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO ON=Cc1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388439 1130287300 /nfs/dbraw/zinc/28/73/00/1130287300.db2.gz DNWBDDHESKVJGY-UHFFFAOYSA-N 1 1 292.382 3.784 20 30 CHEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)cn1 ZINC000790136939 1130291499 /nfs/dbraw/zinc/29/14/99/1130291499.db2.gz ZBQBIMIPYILELP-UHFFFAOYSA-N 1 1 288.782 3.637 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000826862205 1130297930 /nfs/dbraw/zinc/29/79/30/1130297930.db2.gz WUQAMMGNGUJICJ-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000826862205 1130297935 /nfs/dbraw/zinc/29/79/35/1130297935.db2.gz WUQAMMGNGUJICJ-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO CC(C)c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000826861868 1130298046 /nfs/dbraw/zinc/29/80/46/1130298046.db2.gz LYJRPZFURKIWKF-HNNXBMFYSA-N 1 1 256.393 3.936 20 30 CHEDMO Clc1cc(Cl)cc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000790202811 1130298296 /nfs/dbraw/zinc/29/82/96/1130298296.db2.gz ZMZCZKVWTMBCNV-CYBMUJFWSA-N 1 1 284.190 3.629 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCSCc1ccccc1 ZINC000790291028 1130303524 /nfs/dbraw/zinc/30/35/24/1130303524.db2.gz QRQZRHPMOHYFBN-UHFFFAOYSA-N 1 1 276.449 3.791 20 30 CHEDMO Cc1csc(C[N@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001137291130 1130306825 /nfs/dbraw/zinc/30/68/25/1130306825.db2.gz FUZLJSOWTIKHPQ-LLVKDONJSA-N 1 1 268.813 3.836 20 30 CHEDMO COCC#CC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000677478336 1130312767 /nfs/dbraw/zinc/31/27/67/1130312767.db2.gz VNZNXYGYAITNRK-CYBMUJFWSA-N 1 1 277.795 3.515 20 30 CHEDMO COCC#CC[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000677478336 1130312771 /nfs/dbraw/zinc/31/27/71/1130312771.db2.gz VNZNXYGYAITNRK-CYBMUJFWSA-N 1 1 277.795 3.515 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000826945678 1130317577 /nfs/dbraw/zinc/31/75/77/1130317577.db2.gz ALWWKYYOJJPMCE-KRWDZBQOSA-N 1 1 297.446 3.825 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2ccc(F)cc12)Cc1ccc(C#N)cc1 ZINC001137339789 1130427521 /nfs/dbraw/zinc/42/75/21/1130427521.db2.gz DOZFYFFXRXONAO-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO CCCCCCCCCN1CC[NH+](C2CCC2)CC1 ZINC000792229581 1130439129 /nfs/dbraw/zinc/43/91/29/1130439129.db2.gz DDMVJNSIWVZPEV-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000678715381 1130447319 /nfs/dbraw/zinc/44/73/19/1130447319.db2.gz PFFAEGGOUYQHAC-CQSZACIVSA-N 1 1 286.419 3.748 20 30 CHEDMO C=CCCCC[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000678774994 1130453067 /nfs/dbraw/zinc/45/30/67/1130453067.db2.gz WKYDRADQKMSPOO-HNNXBMFYSA-N 1 1 264.457 3.585 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCO[C@@H](CC)C1 ZINC001170227075 1130468397 /nfs/dbraw/zinc/46/83/97/1130468397.db2.gz MDRXGTLCMFMFDK-JENIJYKNSA-N 1 1 283.415 3.567 20 30 CHEDMO C=CCCCNc1ncc(C2=CC[N@@H+](CC)CC2)cc1C ZINC001170298682 1130476097 /nfs/dbraw/zinc/47/60/97/1130476097.db2.gz JDQDMDCCGRPICJ-UHFFFAOYSA-N 1 1 285.435 3.877 20 30 CHEDMO Cc1cc(F)ccc1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792634753 1130486446 /nfs/dbraw/zinc/48/64/46/1130486446.db2.gz ISMGTQGTORYUPL-UHFFFAOYSA-N 1 1 297.377 3.938 20 30 CHEDMO CSCC[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398693 1130489461 /nfs/dbraw/zinc/48/94/61/1130489461.db2.gz UJKCLXSBKHFKLH-UHFFFAOYSA-N 1 1 288.460 3.685 20 30 CHEDMO C#CC[N@H+](CCCCCF)[C@H]1CCc2ccccc21 ZINC000792861301 1130501869 /nfs/dbraw/zinc/50/18/69/1130501869.db2.gz ASTVMOUHMGHYET-KRWDZBQOSA-N 1 1 259.368 3.749 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(-n2ccnn2)cc1)C1CCCCC1 ZINC001137369801 1130513541 /nfs/dbraw/zinc/51/35/41/1130513541.db2.gz WYIJEUUBTNTSCA-UHFFFAOYSA-N 1 1 296.418 3.588 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000793353363 1130543901 /nfs/dbraw/zinc/54/39/01/1130543901.db2.gz SDKRBJBNECHSEL-GOEBONIOSA-N 1 1 286.419 3.988 20 30 CHEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC001255172344 1130545454 /nfs/dbraw/zinc/54/54/54/1130545454.db2.gz 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N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001237749202 1131137933 /nfs/dbraw/zinc/13/79/33/1131137933.db2.gz QOMITUPHWBXXPF-HUUCEWRRSA-N 1 1 274.795 3.834 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001237752983 1131138868 /nfs/dbraw/zinc/13/88/68/1131138868.db2.gz CRQRPIIGBDLCGS-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H]1C ZINC001237757179 1131139123 /nfs/dbraw/zinc/13/91/23/1131139123.db2.gz NYTYOGUEHTWGMF-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001237905410 1131150365 /nfs/dbraw/zinc/15/03/65/1131150365.db2.gz NYJYQLKNJWQARF-CQSZACIVSA-N 1 1 290.382 3.740 20 30 CHEDMO CCCOc1cc(F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237905410 1131150366 /nfs/dbraw/zinc/15/03/66/1131150366.db2.gz NYJYQLKNJWQARF-CQSZACIVSA-N 1 1 290.382 3.740 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(F)cc1OCCC ZINC001237905264 1131150388 /nfs/dbraw/zinc/15/03/88/1131150388.db2.gz MPYOPUIUASBWRD-UHFFFAOYSA-N 1 1 263.356 3.789 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817282516 1131152142 /nfs/dbraw/zinc/15/21/42/1131152142.db2.gz FTNVZKBUIGSGDO-QGZVFWFLSA-N 1 1 284.403 3.601 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237983133 1131158259 /nfs/dbraw/zinc/15/82/59/1131158259.db2.gz MELZFBMDUZWSII-UHFFFAOYSA-N 1 1 288.416 3.914 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237983133 1131158263 /nfs/dbraw/zinc/15/82/63/1131158263.db2.gz MELZFBMDUZWSII-UHFFFAOYSA-N 1 1 288.416 3.914 20 30 CHEDMO CCCCCCCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001116771490 1131163686 /nfs/dbraw/zinc/16/36/86/1131163686.db2.gz RPNJOHAQCQXLAL-GFCCVEGCSA-N 1 1 253.390 3.779 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001238082830 1131168674 /nfs/dbraw/zinc/16/86/74/1131168674.db2.gz NWFRWBJFVOTTMB-KBPBESRZSA-N 1 1 274.795 3.834 20 30 CHEDMO N#CC1(CCC[N@H+]2CC[C@H]3CCCC[C@H]3C2)CCOCC1 ZINC001116905352 1131170083 /nfs/dbraw/zinc/17/00/83/1131170083.db2.gz 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ZINC000829785257 1131432607 /nfs/dbraw/zinc/43/26/07/1131432607.db2.gz SPONVKLMPCUHLP-MRXNPFEDSA-N 1 1 294.398 3.885 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Cl)n1 ZINC000823618996 1131434226 /nfs/dbraw/zinc/43/42/26/1131434226.db2.gz WFJCRFCJOAIDLB-GFCCVEGCSA-N 1 1 285.778 3.800 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000823624065 1131434793 /nfs/dbraw/zinc/43/47/93/1131434793.db2.gz PLHXIHSIAMWCPP-GXFFZTMASA-N 1 1 283.202 3.745 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(F)ccc(F)c1F ZINC001137932348 1131438086 /nfs/dbraw/zinc/43/80/86/1131438086.db2.gz UDRAMUOSJRPXAY-UHFFFAOYSA-N 1 1 257.299 3.892 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(F)ccc(F)c1F ZINC001137932348 1131438087 /nfs/dbraw/zinc/43/80/87/1131438087.db2.gz UDRAMUOSJRPXAY-UHFFFAOYSA-N 1 1 257.299 3.892 20 30 CHEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1N ZINC001246280633 1131441093 /nfs/dbraw/zinc/44/10/93/1131441093.db2.gz RBKOYMUVBXLUAA-JYJNAYRXSA-N 1 1 254.462 3.985 20 30 CHEDMO CCCCCCCC[C@H](CCC)N[C@@]1(CCO)CC[NH2+]C1 ZINC001246291504 1131447832 /nfs/dbraw/zinc/44/78/32/1131447832.db2.gz HCTAQBVWLLPGAA-ZWKOTPCHSA-N 1 1 298.515 3.610 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000824100199 1131452865 /nfs/dbraw/zinc/45/28/65/1131452865.db2.gz ZAOXBXOAQXITRD-UHFFFAOYSA-N 1 1 292.835 3.770 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnc(Cl)c1F ZINC000824120250 1131455532 /nfs/dbraw/zinc/45/55/32/1131455532.db2.gz WTPDIGNSGYMZMS-UHFFFAOYSA-N 1 1 294.757 3.698 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(Cl)c1F ZINC000824120250 1131455535 /nfs/dbraw/zinc/45/55/35/1131455535.db2.gz WTPDIGNSGYMZMS-UHFFFAOYSA-N 1 1 294.757 3.698 20 30 CHEDMO CCCCCCCCC[C@@H](CCC)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246310926 1131460730 /nfs/dbraw/zinc/46/07/30/1131460730.db2.gz OSSVHPAWADMRCR-SQNIBIBYSA-N 1 1 298.515 3.608 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC001138155284 1131473076 /nfs/dbraw/zinc/47/30/76/1131473076.db2.gz MYJUZESPFWFCPO-UHFFFAOYSA-N 1 1 288.420 3.654 20 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MLDYXCBIYSFEHR-AWEZNQCLSA-N 1 1 267.376 3.602 20 30 CHEDMO Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](CC#N)C3)cc2c1 ZINC001138420043 1131503235 /nfs/dbraw/zinc/50/32/35/1131503235.db2.gz LOZQPCKKITVIRA-CQSZACIVSA-N 1 1 267.376 3.602 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC001138438948 1131506455 /nfs/dbraw/zinc/50/64/55/1131506455.db2.gz OETHTNZDKIZICU-UHFFFAOYSA-N 1 1 290.407 3.528 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC001138438948 1131506464 /nfs/dbraw/zinc/50/64/64/1131506464.db2.gz OETHTNZDKIZICU-UHFFFAOYSA-N 1 1 290.407 3.528 20 30 CHEDMO C=CC[N@H+](Cc1ccc(N(C)C)s1)C(C)(C)C ZINC001138492642 1131512780 /nfs/dbraw/zinc/51/27/80/1131512780.db2.gz IFVYOKAMYKNISW-UHFFFAOYSA-N 1 1 252.427 3.601 20 30 CHEDMO CCCC[N@@H+](CC)Cc1c(Cl)cccc1C#N ZINC001143716748 1131525578 /nfs/dbraw/zinc/52/55/78/1131525578.db2.gz UMBAWROZJRZBGN-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO CCCC[N@H+](CC)Cc1c(Cl)cccc1C#N ZINC001143716748 1131525574 /nfs/dbraw/zinc/52/55/74/1131525574.db2.gz UMBAWROZJRZBGN-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143717520 1131525552 /nfs/dbraw/zinc/52/55/52/1131525552.db2.gz GLRWSEVYGKGHDN-LBPRGKRZSA-N 1 1 262.784 3.834 20 30 CHEDMO CC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143731270 1131528369 /nfs/dbraw/zinc/52/83/69/1131528369.db2.gz QNSFEIWFKQTLSW-CYBMUJFWSA-N 1 1 262.784 3.976 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143731270 1131528374 /nfs/dbraw/zinc/52/83/74/1131528374.db2.gz QNSFEIWFKQTLSW-CYBMUJFWSA-N 1 1 262.784 3.976 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC001138643931 1131531846 /nfs/dbraw/zinc/53/18/46/1131531846.db2.gz GIJAVIZNTHDEFJ-UHFFFAOYSA-N 1 1 265.445 3.922 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC001138665238 1131533971 /nfs/dbraw/zinc/53/39/71/1131533971.db2.gz JIYVHEDZTZQFES-QGZVFWFLSA-N 1 1 289.419 3.642 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC001138665237 1131533982 /nfs/dbraw/zinc/53/39/82/1131533982.db2.gz JIYVHEDZTZQFES-KRWDZBQOSA-N 1 1 289.419 3.642 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001138662352 1131534383 /nfs/dbraw/zinc/53/43/83/1131534383.db2.gz VSXSXCUTCPMXLB-HOCLYGCPSA-N 1 1 277.383 3.821 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cnc(SC)nc1 ZINC001138705495 1131539298 /nfs/dbraw/zinc/53/92/98/1131539298.db2.gz SCUWVACGQSNYHZ-UHFFFAOYSA-N 1 1 281.469 3.991 20 30 CHEDMO N#CC1CC[NH+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138830867 1131554023 /nfs/dbraw/zinc/55/40/23/1131554023.db2.gz WZDKPCVLZHUHAX-UHFFFAOYSA-N 1 1 273.767 3.557 20 30 CHEDMO C=CCCc1ccccc1NC(=O)c1ccc(C[NH+](C)C)o1 ZINC001138860590 1131555770 /nfs/dbraw/zinc/55/57/70/1131555770.db2.gz GSJAMNVMCLKINB-UHFFFAOYSA-N 1 1 298.386 3.712 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(OCC)c(F)c1 ZINC001144030649 1131570345 /nfs/dbraw/zinc/57/03/45/1131570345.db2.gz IHDKMYHTFWWKET-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171128785 1131570878 /nfs/dbraw/zinc/57/08/78/1131570878.db2.gz HMKLOLHVGGOUQI-DYVFJYSZSA-N 1 1 288.822 3.823 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001139029551 1131574478 /nfs/dbraw/zinc/57/44/78/1131574478.db2.gz DEOWOLVRRILIAS-AWEZNQCLSA-N 1 1 281.346 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C)CC1 ZINC001139029360 1131574576 /nfs/dbraw/zinc/57/45/76/1131574576.db2.gz VQDVJBFYZZELMK-HNNXBMFYSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001139029654 1131574688 /nfs/dbraw/zinc/57/46/88/1131574688.db2.gz FQYBTPHNNICWIF-CABCVRRESA-N 1 1 259.393 3.872 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC001139060517 1131576930 /nfs/dbraw/zinc/57/69/30/1131576930.db2.gz DSPFLEQPHMLYSF-UHFFFAOYSA-N 1 1 288.350 3.863 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3ccccc3o1)CC2 ZINC001139060517 1131576934 /nfs/dbraw/zinc/57/69/34/1131576934.db2.gz DSPFLEQPHMLYSF-UHFFFAOYSA-N 1 1 288.350 3.863 20 30 CHEDMO C#CC[N@H+](C)Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001144090410 1131580251 /nfs/dbraw/zinc/58/02/51/1131580251.db2.gz IAXUPPFNROHZCV-UHFFFAOYSA-N 1 1 265.356 3.852 20 30 CHEDMO Cc1cccc(C[N@@H+](Cc2cncc(C#N)c2)C2CC2)c1C ZINC001144084504 1131581915 /nfs/dbraw/zinc/58/19/15/1131581915.db2.gz FJRXGCWPRLWJCJ-UHFFFAOYSA-N 1 1 291.398 3.735 20 30 CHEDMO C=CCC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC001139098845 1131582500 /nfs/dbraw/zinc/58/25/00/1131582500.db2.gz DDIMMJKSSAASEN-UHFFFAOYSA-N 1 1 269.392 3.605 20 30 CHEDMO CCn1ccc2c1cccc2C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139156439 1131587744 /nfs/dbraw/zinc/58/77/44/1131587744.db2.gz BKADHYGUTKWTMP-XGBSXSJOSA-N 1 1 293.414 3.928 20 30 CHEDMO Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@H](CC#N)C3)c21 ZINC001139197191 1131595068 /nfs/dbraw/zinc/59/50/68/1131595068.db2.gz IIADUBNUDAKBKX-AWEZNQCLSA-N 1 1 267.376 3.602 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2cc[nH]c2n1 ZINC001144186350 1131597005 /nfs/dbraw/zinc/59/70/05/1131597005.db2.gz VDXIIJVAQVSGTJ-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139339264 1131602188 /nfs/dbraw/zinc/60/21/88/1131602188.db2.gz RVGHSQKNLLPPPC-AWEZNQCLSA-N 1 1 280.371 3.671 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400170 1131607120 /nfs/dbraw/zinc/60/71/20/1131607120.db2.gz JAXHGEDRJREPEV-OAHLLOKOSA-N 1 1 291.398 3.995 20 30 CHEDMO C[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171157096 1131612918 /nfs/dbraw/zinc/61/29/18/1131612918.db2.gz GRACAMUBILKRED-GFCCVEGCSA-N 1 1 283.202 3.696 20 30 CHEDMO C[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171157096 1131612921 /nfs/dbraw/zinc/61/29/21/1131612921.db2.gz GRACAMUBILKRED-GFCCVEGCSA-N 1 1 283.202 3.696 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)cc1F ZINC001139530818 1131613272 /nfs/dbraw/zinc/61/32/72/1131613272.db2.gz SJOYKTJUHMXQHS-UHFFFAOYSA-N 1 1 298.386 3.805 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1F ZINC001139530818 1131613274 /nfs/dbraw/zinc/61/32/74/1131613274.db2.gz SJOYKTJUHMXQHS-UHFFFAOYSA-N 1 1 298.386 3.805 20 30 CHEDMO C=CC[N@H+](Cc1cnc(Cl)c(C)c1)C(C)(C)C ZINC001139547370 1131615147 /nfs/dbraw/zinc/61/51/47/1131615147.db2.gz GRJGDRKUVJZXLA-UHFFFAOYSA-N 1 1 252.789 3.830 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1C(C)C ZINC001139621445 1131623480 /nfs/dbraw/zinc/62/34/80/1131623480.db2.gz MKNMREMLJNEIEA-HNNXBMFYSA-N 1 1 286.419 3.944 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001139649641 1131626837 /nfs/dbraw/zinc/62/68/37/1131626837.db2.gz VLRCGALOMGVRSB-UHFFFAOYSA-N 1 1 290.357 3.802 20 30 CHEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC001139649667 1131627240 /nfs/dbraw/zinc/62/72/40/1131627240.db2.gz XEMZNJOVSYLQPB-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC001139649667 1131627241 /nfs/dbraw/zinc/62/72/41/1131627241.db2.gz XEMZNJOVSYLQPB-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2c[nH]c3c2cccc3C#N)c1 ZINC001139701744 1131629701 /nfs/dbraw/zinc/62/97/01/1131629701.db2.gz OYZIWWUFXLJAQV-UHFFFAOYSA-N 1 1 289.382 3.980 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701313 1131629923 /nfs/dbraw/zinc/62/99/23/1131629923.db2.gz DPWMVGXHTAQBPZ-CYBMUJFWSA-N 1 1 267.376 3.662 20 30 CHEDMO N#Cc1cccc2c(C[N@H+]3CCc4ccsc4C3)c[nH]c21 ZINC001139703834 1131630400 /nfs/dbraw/zinc/63/04/00/1131630400.db2.gz UZPBFKWPKDQYLR-UHFFFAOYSA-N 1 1 293.395 3.659 20 30 CHEDMO Cc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)cc1C#N ZINC001139725922 1131632089 /nfs/dbraw/zinc/63/20/89/1131632089.db2.gz JTEUCWWVEOCKAS-UHFFFAOYSA-N 1 1 286.394 3.971 20 30 CHEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccn1 ZINC000772921406 1131633368 /nfs/dbraw/zinc/63/33/68/1131633368.db2.gz OPGOPHYJYFEETP-KRWDZBQOSA-N 1 1 283.350 3.579 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccn1 ZINC000772921407 1131633452 /nfs/dbraw/zinc/63/34/52/1131633452.db2.gz OPGOPHYJYFEETP-QGZVFWFLSA-N 1 1 283.350 3.579 20 30 CHEDMO C=CC[N@H+](Cc1cc(Cl)cnc1OC)C(C)(C)C ZINC001139751136 1131634466 /nfs/dbraw/zinc/63/44/66/1131634466.db2.gz WHXGPJDCLSVZGH-UHFFFAOYSA-N 1 1 268.788 3.530 20 30 CHEDMO C=CCn1cc(C[N@H+](CC)Cc2ccc(C)c(C)c2)cn1 ZINC001139770870 1131637137 /nfs/dbraw/zinc/63/71/37/1131637137.db2.gz FAKLANACDJVREO-UHFFFAOYSA-N 1 1 283.419 3.708 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)Cc2ccccc21 ZINC001139873411 1131643058 /nfs/dbraw/zinc/64/30/58/1131643058.db2.gz OOKMBVYQVRFITQ-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)Cc2ccccc21 ZINC001139873411 1131643061 /nfs/dbraw/zinc/64/30/61/1131643061.db2.gz OOKMBVYQVRFITQ-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)Cc2ccccc21 ZINC001139873410 1131643080 /nfs/dbraw/zinc/64/30/80/1131643080.db2.gz OOKMBVYQVRFITQ-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)Cc2ccccc21 ZINC001139873410 1131643083 /nfs/dbraw/zinc/64/30/83/1131643083.db2.gz OOKMBVYQVRFITQ-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001139873617 1131643894 /nfs/dbraw/zinc/64/38/94/1131643894.db2.gz YGKGWWLURZCPFU-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(F)cc(C#N)c1 ZINC001139878276 1131644821 /nfs/dbraw/zinc/64/48/21/1131644821.db2.gz GCVYLQAPZZXHDG-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001139882064 1131645299 /nfs/dbraw/zinc/64/52/99/1131645299.db2.gz CFXRPMQHMFNKHB-CQSZACIVSA-N 1 1 254.377 3.690 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccccc1-n1ccnc1C ZINC001140025275 1131657272 /nfs/dbraw/zinc/65/72/72/1131657272.db2.gz NNTCAOJYJZSAHV-UHFFFAOYSA-N 1 1 296.418 3.697 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccccc1-n1ccnc1C ZINC001140025275 1131657280 /nfs/dbraw/zinc/65/72/80/1131657280.db2.gz NNTCAOJYJZSAHV-UHFFFAOYSA-N 1 1 296.418 3.697 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001144573117 1131660361 /nfs/dbraw/zinc/66/03/61/1131660361.db2.gz BHZXVVVWBSNCEJ-QGZVFWFLSA-N 1 1 279.358 3.797 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001144573706 1131660468 /nfs/dbraw/zinc/66/04/68/1131660468.db2.gz PFCLAHAOCCSOGP-FQEVSTJZSA-N 1 1 275.395 3.733 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)cc1 ZINC001144567765 1131660571 /nfs/dbraw/zinc/66/05/71/1131660571.db2.gz AQTYKKDMANJANQ-CYBMUJFWSA-N 1 1 263.331 3.535 20 30 CHEDMO C#Cc1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)cc1 ZINC001144579099 1131660755 /nfs/dbraw/zinc/66/07/55/1131660755.db2.gz YKCSIAVYXHLECJ-QPJJXVBHSA-N 1 1 276.383 3.598 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1 ZINC001144578994 1131661216 /nfs/dbraw/zinc/66/12/16/1131661216.db2.gz VEPAWKWEGNAOBQ-UHFFFAOYSA-N 1 1 279.408 3.776 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115804 1131664951 /nfs/dbraw/zinc/66/49/51/1131664951.db2.gz MNACNCXMZOHVJJ-KRWDZBQOSA-N 1 1 267.376 3.660 20 30 CHEDMO CCCCC[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140112450 1131664999 /nfs/dbraw/zinc/66/49/99/1131664999.db2.gz UZULWODHHIAULL-UHFFFAOYSA-N 1 1 255.365 3.662 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@@H]1C ZINC001140113745 1131665050 /nfs/dbraw/zinc/66/50/50/1131665050.db2.gz CKRWRIBQUNNGSL-CHWSQXEVSA-N 1 1 267.376 3.660 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1F ZINC001140114532 1131665319 /nfs/dbraw/zinc/66/53/19/1131665319.db2.gz SWBSXEZCGUBIET-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)c1 ZINC001140112452 1131665517 /nfs/dbraw/zinc/66/55/17/1131665517.db2.gz VAUDKYGMWRQPAA-UHFFFAOYSA-N 1 1 289.382 3.980 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114836 1131665671 /nfs/dbraw/zinc/66/56/71/1131665671.db2.gz BXNHPUKRDRSLRB-OAHLLOKOSA-N 1 1 267.376 3.804 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)c2c1 ZINC001140110941 1131665846 /nfs/dbraw/zinc/66/58/46/1131665846.db2.gz VJYOHXFYRZJZBC-GJZGRUSLSA-N 1 1 279.387 3.662 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(F)c1 ZINC001140137434 1131666708 /nfs/dbraw/zinc/66/67/08/1131666708.db2.gz JGTYXNPXFXIUQS-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(F)c1 ZINC001140137434 1131666714 /nfs/dbraw/zinc/66/67/14/1131666714.db2.gz JGTYXNPXFXIUQS-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001171202682 1131670937 /nfs/dbraw/zinc/67/09/37/1131670937.db2.gz DNFSNWCIDZDTGG-JXFKEZNVSA-N 1 1 290.410 3.979 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H](C)C1 ZINC001171202721 1131671318 /nfs/dbraw/zinc/67/13/18/1131671318.db2.gz DVWCHPBVUQBMAA-LSDHHAIUSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@](C)(F)CC1 ZINC001171203086 1131675686 /nfs/dbraw/zinc/67/56/86/1131675686.db2.gz IUIXFZGGTVVDHJ-PBHICJAKSA-N 1 1 274.383 3.703 20 30 CHEDMO Cc1cc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)no1 ZINC001171204700 1131678062 /nfs/dbraw/zinc/67/80/62/1131678062.db2.gz ZUMNHDGOQFDKKG-SCLBCKFNSA-N 1 1 295.386 3.623 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001171220960 1131706563 /nfs/dbraw/zinc/70/65/63/1131706563.db2.gz GGPNGCKGLYEEHE-DNVCBOLYSA-N 1 1 291.398 3.721 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140446903 1131739817 /nfs/dbraw/zinc/73/98/17/1131739817.db2.gz PMGMQKFVYIOHIP-LBPRGKRZSA-N 1 1 272.779 3.667 20 30 CHEDMO Cc1ccc(Cl)nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001140446288 1131740679 /nfs/dbraw/zinc/74/06/79/1131740679.db2.gz GDUQVYRMXUDHOD-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1ccc(Cl)nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001140446288 1131740683 /nfs/dbraw/zinc/74/06/83/1131740683.db2.gz GDUQVYRMXUDHOD-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)cn1 ZINC001140543396 1131787027 /nfs/dbraw/zinc/78/70/27/1131787027.db2.gz NMKGLTSDQLWRDN-GOSISDBHSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)cn1 ZINC001140543396 1131787031 /nfs/dbraw/zinc/78/70/31/1131787031.db2.gz NMKGLTSDQLWRDN-GOSISDBHSA-N 1 1 295.361 3.820 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(F)c(C)c(Br)c1 ZINC001140554401 1131790869 /nfs/dbraw/zinc/79/08/69/1131790869.db2.gz CTIUQHCBHKKCDK-UHFFFAOYSA-N 1 1 272.161 3.514 20 30 CHEDMO C[N@H+](Cc1cc(C#N)ccc1Cl)C[C@@H]1CC1(C)C ZINC001140602166 1131823392 /nfs/dbraw/zinc/82/33/92/1131823392.db2.gz FPORYVJKFFHQTE-ZDUSSCGKSA-N 1 1 262.784 3.690 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001140602803 1131823529 /nfs/dbraw/zinc/82/35/29/1131823529.db2.gz PVUTUBZJOQMQFU-CJNGLKHVSA-N 1 1 274.795 3.976 20 30 CHEDMO N#CCC[N@@H+](Cc1cc(Cl)ccc1N)C1CCCC1 ZINC001140715133 1131892535 /nfs/dbraw/zinc/89/25/35/1131892535.db2.gz JRLWCLOJVAJFFS-UHFFFAOYSA-N 1 1 277.799 3.580 20 30 CHEDMO N#CCC[N@H+](Cc1cc(Cl)ccc1N)C1CCCC1 ZINC001140715133 1131892546 /nfs/dbraw/zinc/89/25/46/1131892546.db2.gz JRLWCLOJVAJFFS-UHFFFAOYSA-N 1 1 277.799 3.580 20 30 CHEDMO C=C[C@H](CC)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228545959 1131906687 /nfs/dbraw/zinc/90/66/87/1131906687.db2.gz QCDZFDYROMLQPC-GFCCVEGCSA-N 1 1 298.224 3.854 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754620 1131907484 /nfs/dbraw/zinc/90/74/84/1131907484.db2.gz FELWFVYCWDZXOX-LBPRGKRZSA-N 1 1 264.319 3.601 20 30 CHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755913 1131907705 /nfs/dbraw/zinc/90/77/05/1131907705.db2.gz YVORTLNXLUXDSB-AULYBMBSSA-N 1 1 278.346 3.847 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000773004280 1131916477 /nfs/dbraw/zinc/91/64/77/1131916477.db2.gz JOVNNTGAYKWNEU-VIFPVBQESA-N 1 1 290.190 3.760 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1coc3ccccc13)C2 ZINC001140782781 1131916599 /nfs/dbraw/zinc/91/65/99/1131916599.db2.gz VOQXUTMHSUEXAD-UHFFFAOYSA-N 1 1 288.350 3.863 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000773006296 1131918363 /nfs/dbraw/zinc/91/83/63/1131918363.db2.gz WURMDWLFKGPRAI-ZDUSSCGKSA-N 1 1 251.757 3.551 20 30 CHEDMO C=CC[N@@H+](Cc1cc(O)cc(Cl)c1)C(C)(C)C ZINC001140790706 1131919726 /nfs/dbraw/zinc/91/97/26/1131919726.db2.gz HUTHUEUUVPQGBK-UHFFFAOYSA-N 1 1 253.773 3.832 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(Cl)c1 ZINC001140794203 1131921392 /nfs/dbraw/zinc/92/13/92/1131921392.db2.gz BOJRMYFDRPEGNX-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1Cl ZINC001140806511 1131930201 /nfs/dbraw/zinc/93/02/01/1131930201.db2.gz LGVFTLPCHXHUPX-UHFFFAOYSA-N 1 1 284.790 3.886 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140809993 1131931903 /nfs/dbraw/zinc/93/19/03/1131931903.db2.gz PVZIQYHMKWQNGF-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1Cl ZINC001140811409 1131932441 /nfs/dbraw/zinc/93/24/41/1131932441.db2.gz SCALMFNFAIONAB-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1Cl ZINC001140811409 1131932448 /nfs/dbraw/zinc/93/24/48/1131932448.db2.gz SCALMFNFAIONAB-MRXNPFEDSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1Cl ZINC001140810877 1131933138 /nfs/dbraw/zinc/93/31/38/1131933138.db2.gz CXDBRGJZHJEVTN-YPMHNXCESA-N 1 1 296.748 3.689 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(CC)CC)cc1O ZINC001140855489 1131948931 /nfs/dbraw/zinc/94/89/31/1131948931.db2.gz BFXKVIKWOPJNNE-UHFFFAOYSA-N 1 1 276.424 3.636 20 30 CHEDMO CN(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)c1 ZINC001140925281 1131965199 /nfs/dbraw/zinc/96/51/99/1131965199.db2.gz QVHOMSZZXJPQDX-UHFFFAOYSA-N 1 1 291.826 3.532 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCc2ccccc21 ZINC001140950718 1131969089 /nfs/dbraw/zinc/96/90/89/1131969089.db2.gz FJULUGUAPZEQFU-LJQANCHMSA-N 1 1 291.394 3.823 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1O ZINC001140950983 1131971385 /nfs/dbraw/zinc/97/13/85/1131971385.db2.gz RUFHRTMVSVLEQD-UHFFFAOYSA-N 1 1 267.372 3.889 20 30 CHEDMO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001140966179 1131976427 /nfs/dbraw/zinc/97/64/27/1131976427.db2.gz SRDOHWIRBHFKBM-AWEZNQCLSA-N 1 1 298.308 3.629 20 30 CHEDMO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001140966179 1131976434 /nfs/dbraw/zinc/97/64/34/1131976434.db2.gz SRDOHWIRBHFKBM-AWEZNQCLSA-N 1 1 298.308 3.629 20 30 CHEDMO CC1(C)c2ccccc2CC[N@H+]1Cc1cccc(C#N)c1F ZINC001171416822 1131982366 /nfs/dbraw/zinc/98/23/66/1131982366.db2.gz FRUICRSKMRDYMI-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001171416822 1131982369 /nfs/dbraw/zinc/98/23/69/1131982369.db2.gz FRUICRSKMRDYMI-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228968402 1131986111 /nfs/dbraw/zinc/98/61/11/1131986111.db2.gz IZBZRPYTXZSXBX-LJQANCHMSA-N 1 1 294.398 3.963 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccn2ccnc2c1 ZINC001141044721 1131993820 /nfs/dbraw/zinc/99/38/20/1131993820.db2.gz VAGDNVGRMQZUOU-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO C=CC[C@H](CCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229080123 1132013337 /nfs/dbraw/zinc/01/33/37/1132013337.db2.gz CUFUIVXQMQFXEH-LLVKDONJSA-N 1 1 280.343 3.644 20 30 CHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)CC1 ZINC001141168583 1132034720 /nfs/dbraw/zinc/03/47/20/1132034720.db2.gz PZJBIIKHEMTPLN-YGUOUDRMSA-N 1 1 260.356 3.708 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541140 1132045080 /nfs/dbraw/zinc/04/50/80/1132045080.db2.gz GCQDBOFZTPNSPO-LBPRGKRZSA-N 1 1 296.336 3.587 20 30 CHEDMO C[N@H+](CCF)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141297865 1132073100 /nfs/dbraw/zinc/07/31/00/1132073100.db2.gz DFMWJTKQSRFLPC-UHFFFAOYSA-N 1 1 284.334 3.752 20 30 CHEDMO C[N@@H+](CCF)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141297865 1132073103 /nfs/dbraw/zinc/07/31/03/1132073103.db2.gz DFMWJTKQSRFLPC-UHFFFAOYSA-N 1 1 284.334 3.752 20 30 CHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001171680341 1132078444 /nfs/dbraw/zinc/07/84/44/1132078444.db2.gz QGTKOHCSYFWNGO-AEFFLSMTSA-N 1 1 270.420 3.942 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171759351 1132090227 /nfs/dbraw/zinc/09/02/27/1132090227.db2.gz IYRWMVXFIJXLOK-FUHWJXTLSA-N 1 1 272.436 3.547 20 30 CHEDMO C=C(C)CN(CC)[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171759351 1132090234 /nfs/dbraw/zinc/09/02/34/1132090234.db2.gz IYRWMVXFIJXLOK-FUHWJXTLSA-N 1 1 272.436 3.547 20 30 CHEDMO C=C(C)CN(CC)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171759351 1132090241 /nfs/dbraw/zinc/09/02/41/1132090241.db2.gz IYRWMVXFIJXLOK-FUHWJXTLSA-N 1 1 272.436 3.547 20 30 CHEDMO C=CCCCC[N@H+](C)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171760526 1132090858 /nfs/dbraw/zinc/09/08/58/1132090858.db2.gz XFURUDOMPGOLFD-MJGOQNOKSA-N 1 1 286.463 3.938 20 30 CHEDMO C=CCCCCN(C)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171760526 1132090865 /nfs/dbraw/zinc/09/08/65/1132090865.db2.gz XFURUDOMPGOLFD-MJGOQNOKSA-N 1 1 286.463 3.938 20 30 CHEDMO C=CCCCCN(C)[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171760526 1132090872 /nfs/dbraw/zinc/09/08/72/1132090872.db2.gz XFURUDOMPGOLFD-MJGOQNOKSA-N 1 1 286.463 3.938 20 30 CHEDMO CCCCN(CCC#N)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171758623 1132091428 /nfs/dbraw/zinc/09/14/28/1132091428.db2.gz ZEFWHRAGUGEHOS-HKUYNNGSSA-N 1 1 299.462 3.665 20 30 CHEDMO C=CC[N@H+]([C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)(C)C ZINC001171767432 1132093512 /nfs/dbraw/zinc/09/35/12/1132093512.db2.gz NTQITZTZWAFGKD-FUHWJXTLSA-N 1 1 286.463 3.936 20 30 CHEDMO C=CCN([C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001171767432 1132093519 /nfs/dbraw/zinc/09/35/19/1132093519.db2.gz NTQITZTZWAFGKD-FUHWJXTLSA-N 1 1 286.463 3.936 20 30 CHEDMO C=CCN([C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001171767432 1132093526 /nfs/dbraw/zinc/09/35/26/1132093526.db2.gz NTQITZTZWAFGKD-FUHWJXTLSA-N 1 1 286.463 3.936 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc(C(F)(F)F)nc1 ZINC001141460188 1132134030 /nfs/dbraw/zinc/13/40/30/1132134030.db2.gz MACYJQAELKMFHR-UHFFFAOYSA-N 1 1 289.345 3.898 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001172306597 1132152802 /nfs/dbraw/zinc/15/28/02/1132152802.db2.gz AAVKJMWQFLHWQO-HNNXBMFYSA-N 1 1 264.372 3.621 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001172307947 1132153221 /nfs/dbraw/zinc/15/32/21/1132153221.db2.gz IHYYRJKDWIMRLH-HNAYVOBHSA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001172308384 1132153464 /nfs/dbraw/zinc/15/34/64/1132153464.db2.gz XJZVLBIWDYQOBX-QLFBSQMISA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001172309726 1132154712 /nfs/dbraw/zinc/15/47/12/1132154712.db2.gz WOHGYDINKAMQJZ-QLFBSQMISA-N 1 1 256.393 3.752 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c(F)cccc2C1 ZINC001172310053 1132155202 /nfs/dbraw/zinc/15/52/02/1132155202.db2.gz DHKDYJBFSICNCQ-CQSZACIVSA-N 1 1 294.373 3.687 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001172315993 1132156339 /nfs/dbraw/zinc/15/63/39/1132156339.db2.gz QOOBQYHYQWFGAI-OLMNPRSZSA-N 1 1 268.404 3.611 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001172320999 1132158826 /nfs/dbraw/zinc/15/88/26/1132158826.db2.gz XXYSZAXOPAYWHC-KFWWJZLASA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]1c1ccccc1 ZINC001172318946 1132158887 /nfs/dbraw/zinc/15/88/87/1132158887.db2.gz JUKGFJJJBDORAZ-BEFAXECRSA-N 1 1 276.383 3.936 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+]CC(=O)OC(C)C ZINC001172347678 1132180406 /nfs/dbraw/zinc/18/04/06/1132180406.db2.gz XPNIXGQMXICPEB-AWEZNQCLSA-N 1 1 257.418 3.667 20 30 CHEDMO C[C@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839127809 1132182783 /nfs/dbraw/zinc/18/27/83/1132182783.db2.gz YMGLXGKMZQHMNK-WBVHZDCISA-N 1 1 284.403 3.532 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](O)CC1 ZINC001172355315 1132184280 /nfs/dbraw/zinc/18/42/80/1132184280.db2.gz AWYWTZKTYABJHO-CVEARBPZSA-N 1 1 255.446 3.972 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001172355539 1132184649 /nfs/dbraw/zinc/18/46/49/1132184649.db2.gz CHBDZMCBNJENAS-OWCLPIDISA-N 1 1 253.430 3.704 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+](C)CCC(=O)N(C)C ZINC001172353994 1132184748 /nfs/dbraw/zinc/18/47/48/1132184748.db2.gz CZXGQVYKMZQLCX-HNNXBMFYSA-N 1 1 270.461 3.536 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001172357658 1132185687 /nfs/dbraw/zinc/18/56/87/1132185687.db2.gz LLWCFBNVINVYSB-RRFJBIMHSA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001172357051 1132185867 /nfs/dbraw/zinc/18/58/67/1132185867.db2.gz ASUQDWWZSDCAMX-RDJZCZTQSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+](C)CCc1noc(C)n1 ZINC001172358873 1132186437 /nfs/dbraw/zinc/18/64/37/1132186437.db2.gz SLIODLTXFIKVHH-OAHLLOKOSA-N 1 1 281.444 3.991 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+](C)Cc1noc(C)n1 ZINC001172358350 1132186496 /nfs/dbraw/zinc/18/64/96/1132186496.db2.gz OHAKFNIPGHNSOM-CQSZACIVSA-N 1 1 267.417 3.949 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+](C)Cc1noc(C)n1 ZINC001172358350 1132186500 /nfs/dbraw/zinc/18/65/00/1132186500.db2.gz OHAKFNIPGHNSOM-CQSZACIVSA-N 1 1 267.417 3.949 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@](F)(CO)C1 ZINC001172359346 1132186765 /nfs/dbraw/zinc/18/67/65/1132186765.db2.gz VYEPANGKUGWSFO-CABCVRRESA-N 1 1 259.409 3.532 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](CO)C1 ZINC001172359103 1132187283 /nfs/dbraw/zinc/18/72/83/1132187283.db2.gz UJFVOJMBZUANNZ-CVEARBPZSA-N 1 1 255.446 3.830 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230506680 1132187361 /nfs/dbraw/zinc/18/73/61/1132187361.db2.gz BKNYVHNZZUZHGP-WBMJQRKESA-N 1 1 283.375 3.825 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2ncn(C)c2C1 ZINC001172361734 1132188202 /nfs/dbraw/zinc/18/82/02/1132188202.db2.gz LQWBRRFABLVXMA-OAHLLOKOSA-N 1 1 277.456 3.917 20 30 CHEDMO C#C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)[C@@H](CC)CCCC ZINC001230517233 1132188529 /nfs/dbraw/zinc/18/85/29/1132188529.db2.gz XQOMFIXSIZLNBN-LRDDRELGSA-N 1 1 285.391 3.742 20 30 CHEDMO N#CCCOCC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839185190 1132188634 /nfs/dbraw/zinc/18/86/34/1132188634.db2.gz WRVZMQDTSVZKRC-GOSISDBHSA-N 1 1 298.430 3.924 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839652083 1132228468 /nfs/dbraw/zinc/22/84/68/1132228468.db2.gz YZEJWRMTMBYBGQ-NXHRZFHOSA-N 1 1 286.419 3.573 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141739174 1132243842 /nfs/dbraw/zinc/24/38/42/1132243842.db2.gz HACXFGISZROMBI-OAHLLOKOSA-N 1 1 274.367 3.603 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141739174 1132243845 /nfs/dbraw/zinc/24/38/45/1132243845.db2.gz HACXFGISZROMBI-OAHLLOKOSA-N 1 1 274.367 3.603 20 30 CHEDMO Cc1cc(O)c(C[N@@H+](C)CC(C)(C)C#N)cc1C(C)C ZINC000840072601 1132245731 /nfs/dbraw/zinc/24/57/31/1132245731.db2.gz HNKHPRLHJKPDME-UHFFFAOYSA-N 1 1 274.408 3.806 20 30 CHEDMO C=CCCC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840001500 1132245764 /nfs/dbraw/zinc/24/57/64/1132245764.db2.gz ZOVPKKBDBLFHCU-QGZVFWFLSA-N 1 1 298.430 3.596 20 30 CHEDMO CC(C)CC[C@@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172487673 1132246138 /nfs/dbraw/zinc/24/61/38/1132246138.db2.gz IRLWMONEDLLXBD-HUUCEWRRSA-N 1 1 296.455 3.805 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](CO)C1 ZINC001172511388 1132259446 /nfs/dbraw/zinc/25/94/46/1132259446.db2.gz QBRZKGLMLUWXMQ-HZPDHXFCSA-N 1 1 255.446 3.830 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC001172493971 1132247859 /nfs/dbraw/zinc/24/78/59/1132247859.db2.gz PRXKEJKSXBVMDC-LLVKDONJSA-N 1 1 285.313 3.615 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001172498277 1132248897 /nfs/dbraw/zinc/24/88/97/1132248897.db2.gz KHLJFBOKTREXBV-BGTYHANMSA-N 1 1 290.451 3.596 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)CCCC#N ZINC001172498039 1132248957 /nfs/dbraw/zinc/24/89/57/1132248957.db2.gz IJZDUFFPEVNIIQ-CQSZACIVSA-N 1 1 260.381 3.599 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001172499775 1132250377 /nfs/dbraw/zinc/25/03/77/1132250377.db2.gz ABHPLMIIPJNFRA-GFCCVEGCSA-N 1 1 250.773 3.854 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001172503517 1132252705 /nfs/dbraw/zinc/25/27/05/1132252705.db2.gz YATDIOSXAZMMNU-DLBZAZTESA-N 1 1 282.472 3.726 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](CO)C1 ZINC001172505851 1132254074 /nfs/dbraw/zinc/25/40/74/1132254074.db2.gz WDGFSDUAKCWJDJ-JKSUJKDBSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+]1CCn2ncnc2C1 ZINC001172507790 1132255458 /nfs/dbraw/zinc/25/54/58/1132255458.db2.gz BPGNUVJLAALYSM-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCn2ncnc2C1 ZINC001172507790 1132255459 /nfs/dbraw/zinc/25/54/59/1132255459.db2.gz BPGNUVJLAALYSM-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCCCC(=O)N1CCC[N@@H+](CC)C[C@H]1C 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CC(C)[N@H+]1CCC[C@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226813179 1135744698 /nfs/dbraw/zinc/74/46/98/1135744698.db2.gz MNWYDPZYLZAAME-IBGZPJMESA-N 1 1 294.398 3.963 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCC(C)(C)C1 ZINC000347323260 529976251 /nfs/dbraw/zinc/97/62/51/529976251.db2.gz DNRFKKCGEMTHGG-AWEZNQCLSA-N 1 1 260.356 3.708 20 30 CHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCSCC#N ZINC000574241751 335003414 /nfs/dbraw/zinc/00/34/14/335003414.db2.gz UWAQHXLQSUCMQJ-OAHLLOKOSA-N 1 1 276.449 3.505 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000174815503 261197087 /nfs/dbraw/zinc/19/70/87/261197087.db2.gz RTLTUYSQRZLSAT-UHFFFAOYSA-N 1 1 256.393 3.981 20 30 CHEDMO CCCO[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000364356331 262215822 /nfs/dbraw/zinc/21/58/22/262215822.db2.gz SKSLAQMLGMHYPE-MRXNPFEDSA-N 1 1 280.456 3.988 20 30 CHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000336821257 262397581 /nfs/dbraw/zinc/39/75/81/262397581.db2.gz HDLHCXJXXXEMIO-CQSZACIVSA-N 1 1 274.408 3.585 20 30 CHEDMO CCN1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827825 262397939 /nfs/dbraw/zinc/39/79/39/262397939.db2.gz KCGGQIPQQILJJY-CVEARBPZSA-N 1 1 279.472 3.511 20 30 CHEDMO CCN1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827825 262397941 /nfs/dbraw/zinc/39/79/41/262397941.db2.gz KCGGQIPQQILJJY-CVEARBPZSA-N 1 1 279.472 3.511 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc21 ZINC000171375659 335063753 /nfs/dbraw/zinc/06/37/53/335063753.db2.gz IIDHRNUEVIACRA-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc21 ZINC000171375659 335063755 /nfs/dbraw/zinc/06/37/55/335063755.db2.gz IIDHRNUEVIACRA-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000171374070 335063810 /nfs/dbraw/zinc/06/38/10/335063810.db2.gz KNDARYPUVFOCBB-CYBMUJFWSA-N 1 1 268.335 3.890 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000171374070 335063811 /nfs/dbraw/zinc/06/38/11/335063811.db2.gz KNDARYPUVFOCBB-CYBMUJFWSA-N 1 1 268.335 3.890 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000347268059 533494579 /nfs/dbraw/zinc/49/45/79/533494579.db2.gz QMFWRJSKSMWLJR-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000347295771 533495165 /nfs/dbraw/zinc/49/51/65/533495165.db2.gz CHKPUUPYSBNMPP-XJKSGUPXSA-N 1 1 272.392 3.577 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000347226841 533495849 /nfs/dbraw/zinc/49/58/49/533495849.db2.gz AUVWGPMMKKLODT-KGLIPLIRSA-N 1 1 272.392 3.577 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000341983223 130168802 /nfs/dbraw/zinc/16/88/02/130168802.db2.gz FFJNLGYYVVJUFN-UHFFFAOYSA-N 1 1 274.367 3.848 20 30 CHEDMO CCCCc1oc2ccccc2c1C[NH2+]CCC#N ZINC000035112918 171985812 /nfs/dbraw/zinc/98/58/12/171985812.db2.gz FRGPNMRIJNAQEN-UHFFFAOYSA-N 1 1 256.349 3.779 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000038012422 173982097 /nfs/dbraw/zinc/98/20/97/173982097.db2.gz BSGFRRXTEIGWNO-ZWNOBZJWSA-N 1 1 281.197 3.792 20 30 CHEDMO N#CCC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000334594344 225030369 /nfs/dbraw/zinc/03/03/69/225030369.db2.gz ZMQMEPDFJJEQAS-UHFFFAOYSA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC1(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000352545729 227052277 /nfs/dbraw/zinc/05/22/77/227052277.db2.gz ZHZPYRBQPADDRB-INIZCTEOSA-N 1 1 290.357 3.852 20 30 CHEDMO Cc1ncccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350679941 227053687 /nfs/dbraw/zinc/05/36/87/227053687.db2.gz BOVMJBAUCKUOHU-UHFFFAOYSA-N 1 1 293.414 3.920 20 30 CHEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCCC#N ZINC000354842486 227158342 /nfs/dbraw/zinc/15/83/42/227158342.db2.gz WJKFUIFCQRHMGK-STQMWFEESA-N 1 1 260.356 3.827 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(F)(F)F ZINC000355887210 228036462 /nfs/dbraw/zinc/03/64/62/228036462.db2.gz DPDIOEVAMSEVMQ-SNVBAGLBSA-N 1 1 256.271 3.503 20 30 CHEDMO N#Cc1csc(C[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000356117951 228128264 /nfs/dbraw/zinc/12/82/64/228128264.db2.gz XAAVNSZRKDDTBP-UHFFFAOYSA-N 1 1 275.421 3.561 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000356117951 228128266 /nfs/dbraw/zinc/12/82/66/228128266.db2.gz XAAVNSZRKDDTBP-UHFFFAOYSA-N 1 1 275.421 3.561 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000353640290 228136505 /nfs/dbraw/zinc/13/65/05/228136505.db2.gz CCCAHDGLTPDTHD-OAHLLOKOSA-N 1 1 266.344 3.531 20 30 CHEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1CC)c1ccc(F)c(F)c1 ZINC000187374782 260033722 /nfs/dbraw/zinc/03/37/22/260033722.db2.gz WWQCVCDTUVFCGY-INIZCTEOSA-N 1 1 291.345 3.588 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000179653863 260061689 /nfs/dbraw/zinc/06/16/89/260061689.db2.gz WFEHTUXQCZNKMB-AWEZNQCLSA-N 1 1 280.371 3.760 20 30 CHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000313488448 260298266 /nfs/dbraw/zinc/29/82/66/260298266.db2.gz UJLBILHVHYJYPG-HNNXBMFYSA-N 1 1 292.810 3.603 20 30 CHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1OC ZINC000517948199 260325262 /nfs/dbraw/zinc/32/52/62/260325262.db2.gz RCNXGNIYOUNPQT-HNNXBMFYSA-N 1 1 293.382 3.584 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1OC ZINC000517948199 260325264 /nfs/dbraw/zinc/32/52/64/260325264.db2.gz RCNXGNIYOUNPQT-HNNXBMFYSA-N 1 1 293.382 3.584 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCC(C)CC1 ZINC000130422700 260395696 /nfs/dbraw/zinc/39/56/96/260395696.db2.gz YSMMLFDTPUZSQJ-UHFFFAOYSA-N 1 1 272.392 3.577 20 30 CHEDMO COc1ccc([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000092783710 260501467 /nfs/dbraw/zinc/50/14/67/260501467.db2.gz UULUURJLBXJJKF-MRXNPFEDSA-N 1 1 286.419 3.814 20 30 CHEDMO Cc1ccncc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000361412464 261247042 /nfs/dbraw/zinc/24/70/42/261247042.db2.gz JKJDIQRJDDGYDZ-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000491063969 261312110 /nfs/dbraw/zinc/31/21/10/261312110.db2.gz FLAPFBBZGPYOMA-ZMSDIMECSA-N 1 1 286.419 3.756 20 30 CHEDMO C[C@H](CNc1ccc(F)cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301408645 261333627 /nfs/dbraw/zinc/33/36/27/261333627.db2.gz WTDJWYBJJZLMIJ-CQSZACIVSA-N 1 1 297.377 3.630 20 30 CHEDMO CC[N@@H+](CCCSC)[C@@H](C)c1ccc(C#N)cc1 ZINC000172721604 261509298 /nfs/dbraw/zinc/50/92/98/261509298.db2.gz CYSHHTFMDSKCSX-ZDUSSCGKSA-N 1 1 262.422 3.694 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000184085672 262007818 /nfs/dbraw/zinc/00/78/18/262007818.db2.gz HMNANUKUPPJZJE-AWEZNQCLSA-N 1 1 288.782 3.512 20 30 CHEDMO CCOc1cc(C[NH2+][C@@H](CC)CC#N)cc(Cl)c1OC ZINC000184083918 262007844 /nfs/dbraw/zinc/00/78/44/262007844.db2.gz ZBQGNOXJULKIGM-LBPRGKRZSA-N 1 1 296.798 3.529 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000184085278 262008184 /nfs/dbraw/zinc/00/81/84/262008184.db2.gz FSJKKFGJRKTYIZ-CYBMUJFWSA-N 1 1 271.389 3.592 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000020264504 262244690 /nfs/dbraw/zinc/24/46/90/262244690.db2.gz QFVMJTITGQRFNY-UHFFFAOYSA-N 1 1 268.335 3.638 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258.340 3.604 20 30 CHEDMO C=CCOCC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000338931952 262571564 /nfs/dbraw/zinc/57/15/64/262571564.db2.gz WOLIVRAVNKMDBA-UHFFFAOYSA-N 1 1 291.416 3.854 20 30 CHEDMO C=CCOCC[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000338931952 262571566 /nfs/dbraw/zinc/57/15/66/262571566.db2.gz WOLIVRAVNKMDBA-UHFFFAOYSA-N 1 1 291.416 3.854 20 30 CHEDMO CCC[N@@H+](CCOCCC#N)[C@@H](CC)c1ccccc1 ZINC000338934849 262572261 /nfs/dbraw/zinc/57/22/61/262572261.db2.gz JLJDQHXVMRYLQU-KRWDZBQOSA-N 1 1 274.408 3.780 20 30 CHEDMO Cc1occc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000414392623 262894223 /nfs/dbraw/zinc/89/42/23/262894223.db2.gz BSQSTUHUDAZRAR-QZTJIDSGSA-N 1 1 280.371 3.860 20 30 CHEDMO Cc1occc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000414392623 262894225 /nfs/dbraw/zinc/89/42/25/262894225.db2.gz BSQSTUHUDAZRAR-QZTJIDSGSA-N 1 1 280.371 3.860 20 30 CHEDMO CC(C)(C#N)CC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000272044146 263001697 /nfs/dbraw/zinc/00/16/97/263001697.db2.gz 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CHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1(C)CCCC1 ZINC000489851175 332070064 /nfs/dbraw/zinc/07/00/64/332070064.db2.gz VXEFMLKHQXPPGR-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000489889053 332071752 /nfs/dbraw/zinc/07/17/52/332071752.db2.gz WGMSYGMQBSKXRU-CYBMUJFWSA-N 1 1 295.342 3.659 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490073191 332080002 /nfs/dbraw/zinc/08/00/02/332080002.db2.gz QKWCGEFCTGMZTO-HNNXBMFYSA-N 1 1 267.800 3.926 20 30 CHEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000490100468 332081285 /nfs/dbraw/zinc/08/12/85/332081285.db2.gz IKFXIHOENIUHKG-INIZCTEOSA-N 1 1 292.467 3.502 20 30 CHEDMO CC(C)C[N@@H+](CCCOC(C)C)Cc1ccc(C#N)cc1 ZINC000491029831 332140834 /nfs/dbraw/zinc/14/08/34/332140834.db2.gz XFLHJESXLDAPAP-UHFFFAOYSA-N 1 1 288.435 3.831 20 30 CHEDMO C#CC[N@@H+](Cc1oc(CC)nc1C)[C@@H]1CCc2ccccc21 ZINC000491362026 332197120 /nfs/dbraw/zinc/19/71/20/332197120.db2.gz 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333144992 /nfs/dbraw/zinc/14/49/92/333144992.db2.gz UHHYXEHXKDIVOF-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO C=CCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185609506 333144994 /nfs/dbraw/zinc/14/49/94/333144994.db2.gz UHHYXEHXKDIVOF-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC000219514791 333151485 /nfs/dbraw/zinc/15/14/85/333151485.db2.gz SYUNAEFVVKGHNK-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC000219514791 333151486 /nfs/dbraw/zinc/15/14/86/333151486.db2.gz SYUNAEFVVKGHNK-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000521894589 333196467 /nfs/dbraw/zinc/19/64/67/333196467.db2.gz UAVCPUXAJAXMCX-HNAYVOBHSA-N 1 1 291.398 3.579 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC000223517652 333208722 /nfs/dbraw/zinc/20/87/22/333208722.db2.gz SGFIPONUHRUZBK-CJNGLKHVSA-N 1 1 272.367 3.852 20 30 CHEDMO COc1ccc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000191976742 333228009 /nfs/dbraw/zinc/22/80/09/333228009.db2.gz WKPFSWLUTYZNIP-IBGZPJMESA-N 1 1 291.394 3.536 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000192185189 333231754 /nfs/dbraw/zinc/23/17/54/333231754.db2.gz XEXNHJGPXCUDFT-NSHDSACASA-N 1 1 280.824 3.539 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000192185189 333231755 /nfs/dbraw/zinc/23/17/55/333231755.db2.gz XEXNHJGPXCUDFT-NSHDSACASA-N 1 1 280.824 3.539 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CCS1 ZINC000192185000 333231788 /nfs/dbraw/zinc/23/17/88/333231788.db2.gz ZAKYHFWVQZHBAF-CYBMUJFWSA-N 1 1 279.836 3.519 20 30 CHEDMO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000195137076 333246343 /nfs/dbraw/zinc/24/63/43/333246343.db2.gz CGFKDNPZKZKIMV-AZUAARDMSA-N 1 1 298.474 3.843 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000523010623 333304589 /nfs/dbraw/zinc/30/45/89/333304589.db2.gz NLUJMYXXLSCPKQ-GOSISDBHSA-N 1 1 294.373 3.762 20 30 CHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000230141932 333314835 /nfs/dbraw/zinc/31/48/35/333314835.db2.gz UVPAECPHRIDKFV-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000303193765 333338816 /nfs/dbraw/zinc/33/88/16/333338816.db2.gz GBBFDLFXZPZNJH-UHFFFAOYSA-N 1 1 251.320 3.895 20 30 CHEDMO C=CC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000303193765 333338817 /nfs/dbraw/zinc/33/88/17/333338817.db2.gz GBBFDLFXZPZNJH-UHFFFAOYSA-N 1 1 251.320 3.895 20 30 CHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303520278 333343259 /nfs/dbraw/zinc/34/32/59/333343259.db2.gz CWSYOQJRQMGSGL-IBGZPJMESA-N 1 1 296.414 3.759 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000233364826 333351785 /nfs/dbraw/zinc/35/17/85/333351785.db2.gz MRQKGIMWXJVUMQ-INIZCTEOSA-N 1 1 272.392 3.721 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000234842955 333362551 /nfs/dbraw/zinc/36/25/51/333362551.db2.gz IGOGOAPZGVYIOP-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO COc1cccc(C[N@@H+](C)CCCCC(C)(C)C#N)c1 ZINC000234880396 333362681 /nfs/dbraw/zinc/36/26/81/333362681.db2.gz ZHLQBIGXDRWQHM-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C)cc2)ccc1C#N ZINC000234927757 333363180 /nfs/dbraw/zinc/36/31/80/333363180.db2.gz OCYHVMCMALWEQK-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2cccc(C#N)c2)C1 ZINC000237054237 333377451 /nfs/dbraw/zinc/37/74/51/333377451.db2.gz UGAFFPZHVCMQJC-INIZCTEOSA-N 1 1 299.462 3.548 20 30 CHEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000237054237 333377452 /nfs/dbraw/zinc/37/74/52/333377452.db2.gz UGAFFPZHVCMQJC-INIZCTEOSA-N 1 1 299.462 3.548 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528648820 333450670 /nfs/dbraw/zinc/45/06/70/333450670.db2.gz JBCRSNQOIGLGTM-GOSISDBHSA-N 1 1 295.361 3.723 20 30 CHEDMO C[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(C#N)cc1 ZINC000328282763 333507213 /nfs/dbraw/zinc/50/72/13/333507213.db2.gz ZEMAZPAROWJSBE-NSHDSACASA-N 1 1 286.762 3.768 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)o1 ZINC000174270222 335151580 /nfs/dbraw/zinc/15/15/80/335151580.db2.gz SOQFSAALNSDSBN-UHFFFAOYSA-N 1 1 298.239 3.599 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC000576125562 335158272 /nfs/dbraw/zinc/15/82/72/335158272.db2.gz PDAJQDQMWSSBHV-KURKYZTESA-N 1 1 268.404 3.633 20 30 CHEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000541687028 333786908 /nfs/dbraw/zinc/78/69/08/333786908.db2.gz OJHFPRWIRZANFA-LBPRGKRZSA-N 1 1 289.354 3.801 20 30 CHEDMO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CO2 ZINC000541904361 333798250 /nfs/dbraw/zinc/79/82/50/333798250.db2.gz IUQMRTSDZLBAKG-SJKOYZFVSA-N 1 1 296.345 3.790 20 30 CHEDMO C[N@@H+](CCCSCC#N)CCC1CCCCC1 ZINC000074989946 334021996 /nfs/dbraw/zinc/02/19/96/334021996.db2.gz GYPWAMDZMMJVQC-UHFFFAOYSA-N 1 1 254.443 3.535 20 30 CHEDMO CCC1(CC)C[N@@H+](CCC(C)(C)C#N)CCS1 ZINC000546630664 334041793 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CHEDMO Cc1occc1C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000092438707 1125758270 /nfs/dbraw/zinc/75/82/70/1125758270.db2.gz DHSBKWOCBIUXAB-UHFFFAOYSA-N 1 1 297.402 3.570 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000093533664 1125770755 /nfs/dbraw/zinc/77/07/55/1125770755.db2.gz HLRBDQOYIZVQHS-UHFFFAOYSA-N 1 1 293.407 3.501 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000740877537 1129422759 /nfs/dbraw/zinc/42/27/59/1129422759.db2.gz HICWCDAMAYHSFC-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000740877537 1129422761 /nfs/dbraw/zinc/42/27/61/1129422761.db2.gz HICWCDAMAYHSFC-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000741808744 1129453882 /nfs/dbraw/zinc/45/38/82/1129453882.db2.gz FCULFHBZMKLKQK-UONOGXRCSA-N 1 1 271.832 3.799 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(Cl)nc(Cl)c1 ZINC000114723875 1129607213 /nfs/dbraw/zinc/60/72/13/1129607213.db2.gz VLCRIXOPZGBMGR-UHFFFAOYSA-N 1 1 257.164 3.562 20 30 CHEDMO CCCCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169140672 1129704214 /nfs/dbraw/zinc/70/42/14/1129704214.db2.gz LGOKOQDNYPLIFY-ZSHCYNCHSA-N 1 1 252.446 3.514 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169140672 1129704216 /nfs/dbraw/zinc/70/42/16/1129704216.db2.gz LGOKOQDNYPLIFY-ZSHCYNCHSA-N 1 1 252.446 3.514 20 30 CHEDMO C=CC[C@H]1[N@H+](CCC[C@@H]2CCOC2)CCCC1(C)C ZINC001169843635 1129760080 /nfs/dbraw/zinc/76/00/80/1129760080.db2.gz GJRXQXSWOPHDEL-HZPDHXFCSA-N 1 1 265.441 3.870 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cc(C)cnc1SC ZINC001238718385 1131237340 /nfs/dbraw/zinc/23/73/40/1131237340.db2.gz MXKVYEKRNYISQF-UHFFFAOYSA-N 1 1 264.438 3.900 20 30 CHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000481731423 1126709715 /nfs/dbraw/zinc/70/97/15/1126709715.db2.gz QIKGHPTXFDFAGM-FZMZJTMJSA-N 1 1 282.309 3.721 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc(C#N)cc1F ZINC000338019037 1126711962 /nfs/dbraw/zinc/71/19/62/1126711962.db2.gz PEZZXEZCMKJBAE-MNOVXSKESA-N 1 1 287.313 3.643 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000899993987 1126720636 /nfs/dbraw/zinc/72/06/36/1126720636.db2.gz SWJBSCRLSCCNCD-LBPRGKRZSA-N 1 1 277.755 3.746 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc(C[C@H]2CCCO2)no1 ZINC000899998707 1126722481 /nfs/dbraw/zinc/72/24/81/1126722481.db2.gz SZZIROHUOVMEAZ-KGLIPLIRSA-N 1 1 295.427 3.542 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000600616033 1126723022 /nfs/dbraw/zinc/72/30/22/1126723022.db2.gz XXWKURKLPYPNDN-LRDDRELGSA-N 1 1 287.794 3.751 20 30 CHEDMO CC(C)Oc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338349921 1126737011 /nfs/dbraw/zinc/73/70/11/1126737011.db2.gz BAKZTAAAICDHSV-AWEZNQCLSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)Oc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338349921 1126737014 /nfs/dbraw/zinc/73/70/14/1126737014.db2.gz BAKZTAAAICDHSV-AWEZNQCLSA-N 1 1 272.392 3.598 20 30 CHEDMO C=CCC[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918545 1126758804 /nfs/dbraw/zinc/75/88/04/1126758804.db2.gz DYTNBFTXJBUUQA-GUDVDZBRSA-N 1 1 284.447 3.910 20 30 CHEDMO C=CCC[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918545 1126758808 /nfs/dbraw/zinc/75/88/08/1126758808.db2.gz DYTNBFTXJBUUQA-GUDVDZBRSA-N 1 1 284.447 3.910 20 30 CHEDMO C[N@@H+](CCCSCC#N)Cc1cc2ccccc2o1 ZINC000175192714 1126778492 /nfs/dbraw/zinc/77/84/92/1126778492.db2.gz JXBLFNNJGUHHRC-UHFFFAOYSA-N 1 1 274.389 3.511 20 30 CHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483282446 1126778999 /nfs/dbraw/zinc/77/89/99/1126778999.db2.gz FHNRSZQJGFNFFD-SFHVURJKSA-N 1 1 295.430 3.658 20 30 CHEDMO N#Cc1cccc(OCCC[N@@H+](CC2CC2)C2CCC2)c1 ZINC000483309588 1126780642 /nfs/dbraw/zinc/78/06/42/1126780642.db2.gz UABHNOFACZHFCA-UHFFFAOYSA-N 1 1 284.403 3.592 20 30 CHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000429573277 1126777239 /nfs/dbraw/zinc/77/72/39/1126777239.db2.gz YTSAYGHJTQMUBD-RISCZKNCSA-N 1 1 262.784 3.832 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483421193 1126786128 /nfs/dbraw/zinc/78/61/28/1126786128.db2.gz MKFHNZXGSQMZNI-UHFFFAOYSA-N 1 1 289.354 3.582 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000483421193 1126786131 /nfs/dbraw/zinc/78/61/31/1126786131.db2.gz MKFHNZXGSQMZNI-UHFFFAOYSA-N 1 1 289.354 3.582 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483514842 1126791122 /nfs/dbraw/zinc/79/11/22/1126791122.db2.gz LBVCONMVOKTUJN-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483963304 1126805931 /nfs/dbraw/zinc/80/59/31/1126805931.db2.gz QMWVRMQPYUFQMV-MRRJBJDNSA-N 1 1 272.367 3.850 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483950644 1126806398 /nfs/dbraw/zinc/80/63/98/1126806398.db2.gz DYPAHHDRVARZGS-KRWDZBQOSA-N 1 1 273.445 3.646 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000484086631 1126809375 /nfs/dbraw/zinc/80/93/75/1126809375.db2.gz ZYOBSCBJMJHPAB-UHFFFAOYSA-N 1 1 293.410 3.957 20 30 CHEDMO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H](C#N)CCC#N ZINC000179734541 1126833086 /nfs/dbraw/zinc/83/30/86/1126833086.db2.gz ZTMHFSVDRLOXSA-ZBFHGGJFSA-N 1 1 285.391 3.570 20 30 CHEDMO CCn1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000181578301 1126857267 /nfs/dbraw/zinc/85/72/67/1126857267.db2.gz UOFPFWJLCKKLPT-PBHICJAKSA-N 1 1 282.391 3.599 20 30 CHEDMO CCc1nc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000181738819 1126860596 /nfs/dbraw/zinc/86/05/96/1126860596.db2.gz FENXFOUFXFFMBC-NEPJUHHUSA-N 1 1 285.416 3.989 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@H]2CCCOC2)no1 ZINC000904693810 1126867050 /nfs/dbraw/zinc/86/70/50/1126867050.db2.gz BYBNQTXVBXTPPB-KBPBESRZSA-N 1 1 295.427 3.714 20 30 CHEDMO CC(C)c1csc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000181910560 1126862517 /nfs/dbraw/zinc/86/25/17/1126862517.db2.gz IOSQEOLQFJMIOJ-GFCCVEGCSA-N 1 1 285.416 3.989 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000183718099 1126890932 /nfs/dbraw/zinc/89/09/32/1126890932.db2.gz UTUNPVBZDBLQDP-INIZCTEOSA-N 1 1 294.398 3.677 20 30 CHEDMO C[C@@H](C[N@@H+](C)CCCC(C)(C)C#N)c1nccs1 ZINC000183922668 1126893626 /nfs/dbraw/zinc/89/36/26/1126893626.db2.gz ODKRCDLWPGRZPE-LBPRGKRZSA-N 1 1 265.426 3.508 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC000245555623 1129212056 /nfs/dbraw/zinc/21/20/56/1129212056.db2.gz IKFZYPFCEBZSJW-CVEARBPZSA-N 1 1 285.435 3.657 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000668494361 1126917966 /nfs/dbraw/zinc/91/79/66/1126917966.db2.gz YAMWOWYTOMXBGS-LBPRGKRZSA-N 1 1 262.422 3.809 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235522623 1130750950 /nfs/dbraw/zinc/75/09/50/1130750950.db2.gz XHIGZVRFAJFNBY-UHFFFAOYSA-N 1 1 263.772 3.614 20 30 CHEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(CC#N)cc1)CC2 ZINC000485860717 1126958291 /nfs/dbraw/zinc/95/82/91/1126958291.db2.gz DHTHORRACAAPEN-UHFFFAOYSA-N 1 1 290.410 3.928 20 30 CHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192136251 1126958397 /nfs/dbraw/zinc/95/83/97/1126958397.db2.gz HKPJGELEHLAVTF-SFHVURJKSA-N 1 1 264.372 3.516 20 30 CHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCSCC#N ZINC000266913176 1126989826 /nfs/dbraw/zinc/98/98/26/1126989826.db2.gz DPRFMNYGFWPSPC-WBVHZDCISA-N 1 1 288.460 3.586 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000266892687 1126990258 /nfs/dbraw/zinc/99/02/58/1126990258.db2.gz FLNWLKWOXBEOKK-QGZVFWFLSA-N 1 1 286.419 3.562 20 30 CHEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000266964070 1126990529 /nfs/dbraw/zinc/99/05/29/1126990529.db2.gz YRUCSPGXOSZIGG-OAHLLOKOSA-N 1 1 286.419 3.814 20 30 CHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000267568212 1127002242 /nfs/dbraw/zinc/00/22/42/1127002242.db2.gz COKDMZPJSRINJF-RBUKOAKNSA-N 1 1 295.430 3.775 20 30 CHEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000486801125 1127004693 /nfs/dbraw/zinc/00/46/93/1127004693.db2.gz KVLJPQOJXJTLEJ-HNNXBMFYSA-N 1 1 270.420 3.966 20 30 CHEDMO C=CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268374474 1127016591 /nfs/dbraw/zinc/01/65/91/1127016591.db2.gz LHMCUSXTPJNCRX-GJZGRUSLSA-N 1 1 263.381 3.524 20 30 CHEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001320158802 1127020753 /nfs/dbraw/zinc/02/07/53/1127020753.db2.gz AAEKIIREKAFXAD-YPMHNXCESA-N 1 1 283.774 3.817 20 30 CHEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000042316450 1127038224 /nfs/dbraw/zinc/03/82/24/1127038224.db2.gz CYNHWADDEORLBR-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000042316450 1127038225 /nfs/dbraw/zinc/03/82/25/1127038225.db2.gz CYNHWADDEORLBR-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cccnc1 ZINC000270654058 1127059340 /nfs/dbraw/zinc/05/93/40/1127059340.db2.gz MNPHUWJYMVAAGV-CQSZACIVSA-N 1 1 265.360 3.536 20 30 CHEDMO Cc1[nH+]ccn1CCS[C@@H](C)c1ccc(C#N)cc1 ZINC000271002193 1127064378 /nfs/dbraw/zinc/06/43/78/1127064378.db2.gz HJYRAONCIBJEKK-LBPRGKRZSA-N 1 1 271.389 3.558 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1F ZINC000271074750 1127068584 /nfs/dbraw/zinc/06/85/84/1127068584.db2.gz NQVFJIMHNGELSE-UHFFFAOYSA-N 1 1 272.323 3.701 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1F ZINC000271074750 1127068586 /nfs/dbraw/zinc/06/85/86/1127068586.db2.gz NQVFJIMHNGELSE-UHFFFAOYSA-N 1 1 272.323 3.701 20 30 CHEDMO CC(C)c1[nH+]c(/C=C/c2ccncc2C#N)c2ccccn21 ZINC000349103807 1127140134 /nfs/dbraw/zinc/14/01/34/1127140134.db2.gz CYKQNUXATVSDFF-VOTSOKGWSA-N 1 1 288.354 3.895 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000349365504 1127149387 /nfs/dbraw/zinc/14/93/87/1127149387.db2.gz GSWIRQAAIFAWIO-MRXNPFEDSA-N 1 1 296.418 3.617 20 30 CHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571689638 1127164816 /nfs/dbraw/zinc/16/48/16/1127164816.db2.gz YMIDAACGCVTXGU-OAHLLOKOSA-N 1 1 287.363 3.621 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000350266061 1127176241 /nfs/dbraw/zinc/17/62/41/1127176241.db2.gz METGSCQXAPZTRC-UHFFFAOYSA-N 1 1 264.372 3.899 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1ccccc1C ZINC001307795476 1127178614 /nfs/dbraw/zinc/17/86/14/1127178614.db2.gz ZKBVJHNISZXGJI-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO CCCC[N@@H+](CCC)Cc1cc(C#N)c(F)cc1F ZINC001237525208 1131111006 /nfs/dbraw/zinc/11/10/06/1131111006.db2.gz BFVUZEXBKRSMLL-UHFFFAOYSA-N 1 1 266.335 3.849 20 30 CHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@H](C)CCC#N)C1 ZINC000351187068 1127186078 /nfs/dbraw/zinc/18/60/78/1127186078.db2.gz VNVSZFYIBDSONV-OWCLPIDISA-N 1 1 256.393 3.865 20 30 CHEDMO Cc1cc(Cl)cc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000351400120 1127188849 /nfs/dbraw/zinc/18/88/49/1127188849.db2.gz RTIUMBVQLBAXKS-UHFFFAOYSA-N 1 1 262.784 3.774 20 30 CHEDMO Cc1cc(Cl)cc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000351400120 1127188851 /nfs/dbraw/zinc/18/88/51/1127188851.db2.gz RTIUMBVQLBAXKS-UHFFFAOYSA-N 1 1 262.784 3.774 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351542968 1127192328 /nfs/dbraw/zinc/19/23/28/1127192328.db2.gz ZTSNRFXIRDJRDO-GFCCVEGCSA-N 1 1 275.783 3.529 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351542968 1127192329 /nfs/dbraw/zinc/19/23/29/1127192329.db2.gz ZTSNRFXIRDJRDO-GFCCVEGCSA-N 1 1 275.783 3.529 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000351646950 1127200734 /nfs/dbraw/zinc/20/07/34/1127200734.db2.gz QLWDTMPGMMAKRX-CQSZACIVSA-N 1 1 252.361 3.964 20 30 CHEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000589254904 1127216394 /nfs/dbraw/zinc/21/63/94/1127216394.db2.gz OZCCGKUUGXLXRG-SJORKVTESA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1nc(C)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000589254904 1127216398 /nfs/dbraw/zinc/21/63/98/1127216398.db2.gz OZCCGKUUGXLXRG-SJORKVTESA-N 1 1 295.386 3.563 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000589498400 1127223685 /nfs/dbraw/zinc/22/36/85/1127223685.db2.gz MCSUUHRNPPJOOI-HNNXBMFYSA-N 1 1 294.320 3.951 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000352336901 1127225096 /nfs/dbraw/zinc/22/50/96/1127225096.db2.gz BEYCHJOUZQSKIT-INIZCTEOSA-N 1 1 298.411 3.663 20 30 CHEDMO C=C(C)CC[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352424004 1127231187 /nfs/dbraw/zinc/23/11/87/1127231187.db2.gz PZKACGISIIUXSI-UHFFFAOYSA-N 1 1 257.377 3.509 20 30 CHEDMO C=C(CC)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352422536 1127230961 /nfs/dbraw/zinc/23/09/61/1127230961.db2.gz JDPVVALOLLRBPV-UHFFFAOYSA-N 1 1 257.377 3.509 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(CC(C)C)C2=O)C1 ZINC001275114493 1127237163 /nfs/dbraw/zinc/23/71/63/1127237163.db2.gz OBMGCLAKQSGAFX-SFHVURJKSA-N 1 1 294.483 3.537 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC001275119440 1127238897 /nfs/dbraw/zinc/23/88/97/1127238897.db2.gz SEKSHMGPAGOSEB-GOSISDBHSA-N 1 1 294.483 3.681 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1 ZINC000352892969 1127248907 /nfs/dbraw/zinc/24/89/07/1127248907.db2.gz LTYRZGFJSQTNGX-LSDHHAIUSA-N 1 1 292.423 3.803 20 30 CHEDMO CCCC[N@@H+](CCOCCC#N)[C@H](C)c1ccc(C)o1 ZINC000590156449 1127250029 /nfs/dbraw/zinc/25/00/29/1127250029.db2.gz NYLHSASAMXTAEP-OAHLLOKOSA-N 1 1 278.396 3.681 20 30 CHEDMO C=C(C)C[N@H+](CCCCCF)Cc1cnn(C(C)C)c1 ZINC000352959637 1127254257 /nfs/dbraw/zinc/25/42/57/1127254257.db2.gz ZPMQSHRLBZGCCP-UHFFFAOYSA-N 1 1 281.419 3.982 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600850 1127264596 /nfs/dbraw/zinc/26/45/96/1127264596.db2.gz NQLJPAVHMOUUDZ-MAUKXSAKSA-N 1 1 291.398 3.894 20 30 CHEDMO COc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)ccc1C#N ZINC000353223298 1127264711 /nfs/dbraw/zinc/26/47/11/1127264711.db2.gz SPVKZOGPNFXJHE-BLLLJJGKSA-N 1 1 296.370 3.573 20 30 CHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353602857 1127271554 /nfs/dbraw/zinc/27/15/54/1127271554.db2.gz FIUXZUUYBWDNNV-MRXNPFEDSA-N 1 1 274.433 3.666 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)nc1 ZINC000590754931 1127270829 /nfs/dbraw/zinc/27/08/29/1127270829.db2.gz TTXGZBSDSGSYHJ-UHFFFAOYSA-N 1 1 293.414 3.823 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238193646 1131178870 /nfs/dbraw/zinc/17/88/70/1131178870.db2.gz DYXMXSLUGCZWGF-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO CC[C@H](NCC[N@@H+]1CCCC[C@H]1CC)c1ccc(C#N)cc1 ZINC000573057110 1127281270 /nfs/dbraw/zinc/28/12/70/1127281270.db2.gz ODXIZOIMEWQAPF-MOPGFXCFSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H](NCC[N@H+]1CCCC[C@H]1CC)c1ccc(C#N)cc1 ZINC000573057110 1127281271 /nfs/dbraw/zinc/28/12/71/1127281271.db2.gz ODXIZOIMEWQAPF-MOPGFXCFSA-N 1 1 299.462 3.863 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1F ZINC000591025460 1127284261 /nfs/dbraw/zinc/28/42/61/1127284261.db2.gz KHAKEHZLZPBYJH-KGLIPLIRSA-N 1 1 252.377 3.530 20 30 CHEDMO Cc1nc2ccc(C[N@@H+](C)CC(C)(C)C#N)cc2s1 ZINC000354043735 1127288540 /nfs/dbraw/zinc/28/85/40/1127288540.db2.gz ZOLNKHMKDLRQCG-UHFFFAOYSA-N 1 1 273.405 3.586 20 30 CHEDMO Cc1nc2ccc(C[N@H+](C)CC(C)(C)C#N)cc2s1 ZINC000354043735 1127288541 /nfs/dbraw/zinc/28/85/41/1127288541.db2.gz ZOLNKHMKDLRQCG-UHFFFAOYSA-N 1 1 273.405 3.586 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000760818804 1127294637 /nfs/dbraw/zinc/29/46/37/1127294637.db2.gz PBHFEJBFETUYRC-CQSZACIVSA-N 1 1 278.193 3.609 20 30 CHEDMO C#CCC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000760839822 1127309571 /nfs/dbraw/zinc/30/95/71/1127309571.db2.gz DAOIJBICJKQBOX-IBGZPJMESA-N 1 1 261.368 3.809 20 30 CHEDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(F)cn1 ZINC000287797684 1127313521 /nfs/dbraw/zinc/31/35/21/1127313521.db2.gz TXUVFRVKUYCWEM-VXGBXAGGSA-N 1 1 299.349 3.513 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355203963 1127324505 /nfs/dbraw/zinc/32/45/05/1127324505.db2.gz GLGYDAMMIULAST-QZTJIDSGSA-N 1 1 262.356 3.546 20 30 CHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000592102085 1127333100 /nfs/dbraw/zinc/33/31/00/1127333100.db2.gz PSITVGCMPAUOAR-CSHXORCISA-N 1 1 289.382 3.631 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000592102085 1127333104 /nfs/dbraw/zinc/33/31/04/1127333104.db2.gz PSITVGCMPAUOAR-CSHXORCISA-N 1 1 289.382 3.631 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(C)cc1 ZINC000592099422 1127333837 /nfs/dbraw/zinc/33/38/37/1127333837.db2.gz WYMBWTFOPVNQQI-QGZVFWFLSA-N 1 1 265.360 3.503 20 30 CHEDMO CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccncc1C#N ZINC000592068191 1127334398 /nfs/dbraw/zinc/33/43/98/1127334398.db2.gz KCSOALJBHFIWRN-GOSISDBHSA-N 1 1 279.387 3.926 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ccncc1C#N ZINC000592068191 1127334400 /nfs/dbraw/zinc/33/44/00/1127334400.db2.gz KCSOALJBHFIWRN-GOSISDBHSA-N 1 1 279.387 3.926 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1c1ccccc1 ZINC000592072890 1127334449 /nfs/dbraw/zinc/33/44/49/1127334449.db2.gz QHHSHUSKRJAFAI-KXBFYZLASA-N 1 1 291.398 3.579 20 30 CHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccncc2C#N)C1 ZINC000592069297 1127334515 /nfs/dbraw/zinc/33/45/15/1127334515.db2.gz OJVSNYKFTNOPAD-NVXWUHKLSA-N 1 1 291.398 3.640 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000592111139 1127335155 /nfs/dbraw/zinc/33/51/55/1127335155.db2.gz HAYVDVLIAWVKGR-UHFFFAOYSA-N 1 1 283.419 3.890 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccncc1C#N ZINC000592127254 1127337464 /nfs/dbraw/zinc/33/74/64/1127337464.db2.gz YKAIQWBFLBPDEN-VCBZYWHSSA-N 1 1 291.398 3.720 20 30 CHEDMO CCCC[N@@H+](CCCCC#N)[C@@H]1CCc2ncsc2C1 ZINC000592188824 1127337958 /nfs/dbraw/zinc/33/79/58/1127337958.db2.gz PVVWIMVEVKASTF-CQSZACIVSA-N 1 1 291.464 3.796 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000592153823 1127341817 /nfs/dbraw/zinc/34/18/17/1127341817.db2.gz IGWJWZYGFZEMPF-NVXWUHKLSA-N 1 1 283.419 3.601 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000592153822 1127342250 /nfs/dbraw/zinc/34/22/50/1127342250.db2.gz IGWJWZYGFZEMPF-DOTOQJQBSA-N 1 1 283.419 3.601 20 30 CHEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c(C)s1 ZINC000592391642 1127346912 /nfs/dbraw/zinc/34/69/12/1127346912.db2.gz SESMYYARBCKQJO-NSHDSACASA-N 1 1 285.416 3.677 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592194029 1127345856 /nfs/dbraw/zinc/34/58/56/1127345856.db2.gz OFEBYPNDJJEDHD-GJZGRUSLSA-N 1 1 284.403 3.653 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cnccc1C ZINC000355581223 1127350006 /nfs/dbraw/zinc/35/00/06/1127350006.db2.gz HXRPTRFVUAJQHV-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cnccc1C ZINC000355581223 1127350010 /nfs/dbraw/zinc/35/00/10/1127350010.db2.gz HXRPTRFVUAJQHV-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)CC1CCC1 ZINC000355614123 1127354747 /nfs/dbraw/zinc/35/47/47/1127354747.db2.gz ZXQVZAAQTFGSPL-UHFFFAOYSA-N 1 1 286.419 3.991 20 30 CHEDMO C=C(Br)C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000167352377 1127355403 /nfs/dbraw/zinc/35/54/03/1127355403.db2.gz IHEPAKDKDTVRKI-GFCCVEGCSA-N 1 1 290.151 3.914 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2cccc(F)c2o1 ZINC000355750598 1127362795 /nfs/dbraw/zinc/36/27/95/1127362795.db2.gz VLDUMTNLVLOKCW-JTQLQIEISA-N 1 1 258.296 3.526 20 30 CHEDMO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000593055744 1127369969 /nfs/dbraw/zinc/36/99/69/1127369969.db2.gz OFUWXEWCGDFVRW-YOEHRIQHSA-N 1 1 272.392 3.509 20 30 CHEDMO C=CCCCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000574149747 1127371868 /nfs/dbraw/zinc/37/18/68/1127371868.db2.gz VPZBFKUEPNNPRZ-UHFFFAOYSA-N 1 1 295.430 3.878 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)C(C)C ZINC000289573303 1127384222 /nfs/dbraw/zinc/38/42/22/1127384222.db2.gz SPWDEXBRBYXNOX-CYBMUJFWSA-N 1 1 276.430 3.619 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CCCC1 ZINC000593650307 1127392707 /nfs/dbraw/zinc/39/27/07/1127392707.db2.gz QZWUYZALAJFIDN-UHFFFAOYSA-N 1 1 297.427 3.984 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CCCc1c(F)cccc1F)C1CC1 ZINC000593967635 1127403964 /nfs/dbraw/zinc/40/39/64/1127403964.db2.gz CRAMRQCAWNPBRK-GFCCVEGCSA-N 1 1 278.346 3.521 20 30 CHEDMO CCc1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000594499669 1127418243 /nfs/dbraw/zinc/41/82/43/1127418243.db2.gz PITFDPNZRNVDTL-UHFFFAOYSA-N 1 1 299.443 3.796 20 30 CHEDMO Cc1cnc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594513228 1127420237 /nfs/dbraw/zinc/42/02/37/1127420237.db2.gz LHVASFLWZRYYQD-UHFFFAOYSA-N 1 1 285.416 3.543 20 30 CHEDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000594600420 1127423509 /nfs/dbraw/zinc/42/35/09/1127423509.db2.gz GMWZAMHSBNBBLC-MRXNPFEDSA-N 1 1 256.393 3.718 20 30 CHEDMO C=C(CC)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000358610221 1127428808 /nfs/dbraw/zinc/42/88/08/1127428808.db2.gz FSODNWGLNALEQK-UHFFFAOYSA-N 1 1 285.391 3.512 20 30 CHEDMO C=C(CC)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000358610221 1127428809 /nfs/dbraw/zinc/42/88/09/1127428809.db2.gz FSODNWGLNALEQK-UHFFFAOYSA-N 1 1 285.391 3.512 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1F ZINC000594968219 1127441115 /nfs/dbraw/zinc/44/11/15/1127441115.db2.gz FBAJHZXGVYRXBR-MRXNPFEDSA-N 1 1 272.323 3.777 20 30 CHEDMO Cc1ccc(F)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981218 1127443223 /nfs/dbraw/zinc/44/32/23/1127443223.db2.gz LAKZCDOYGHUMQS-UHFFFAOYSA-N 1 1 260.356 3.698 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCCCC1 ZINC000594994784 1127444365 /nfs/dbraw/zinc/44/43/65/1127444365.db2.gz LIBQWCDLQWEJOL-UHFFFAOYSA-N 1 1 294.345 3.852 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2OC(F)F)CCCCC1 ZINC000594994291 1127444433 /nfs/dbraw/zinc/44/44/33/1127444433.db2.gz JPYSPLJMSIQGNZ-UHFFFAOYSA-N 1 1 294.345 3.852 20 30 CHEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595101657 1127452259 /nfs/dbraw/zinc/45/22/59/1127452259.db2.gz YSUCRLVDEGKRON-AWEZNQCLSA-N 1 1 299.418 3.770 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1F ZINC000595091684 1127454230 /nfs/dbraw/zinc/45/42/30/1127454230.db2.gz SDABJEGGGHWAEK-ADLMAVQZSA-N 1 1 296.345 3.741 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000595092044 1127454726 /nfs/dbraw/zinc/45/47/26/1127454726.db2.gz VMLDFNVAKYYQIP-GFCCVEGCSA-N 1 1 299.374 3.658 20 30 CHEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCCCC2)cnn1C(C)C ZINC000595090932 1127454780 /nfs/dbraw/zinc/45/47/80/1127454780.db2.gz LCEVQUWWAREWRK-AWEZNQCLSA-N 1 1 288.439 3.897 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(O)c1 ZINC000595092056 1127454811 /nfs/dbraw/zinc/45/48/11/1127454811.db2.gz VUASWHFVJPKXMF-CYBMUJFWSA-N 1 1 258.365 3.517 20 30 CHEDMO CC[N@@H+](C[C@H](OC)C1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295596 1127457348 /nfs/dbraw/zinc/45/73/48/1127457348.db2.gz MJWRNGICVYWKFY-KDOFPFPSSA-N 1 1 286.419 3.756 20 30 CHEDMO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)o1 ZINC000595296489 1127457383 /nfs/dbraw/zinc/45/73/83/1127457383.db2.gz DVSPXMRJAROVBM-UHFFFAOYSA-N 1 1 283.375 3.574 20 30 CHEDMO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)o1 ZINC000595296489 1127457386 /nfs/dbraw/zinc/45/73/86/1127457386.db2.gz DVSPXMRJAROVBM-UHFFFAOYSA-N 1 1 283.375 3.574 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000595290177 1127457070 /nfs/dbraw/zinc/45/70/70/1127457070.db2.gz JBRKONXAWKVWLZ-IBGZPJMESA-N 1 1 276.383 3.720 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595346880 1127458745 /nfs/dbraw/zinc/45/87/45/1127458745.db2.gz MVZNYEPQFDOILG-UHFFFAOYSA-N 1 1 283.419 3.753 20 30 CHEDMO N#CCC[N@@H+](CCSc1ccc(F)cc1F)CC1CC1 ZINC000595335696 1127458779 /nfs/dbraw/zinc/45/87/79/1127458779.db2.gz XGOLNGWHCZWREU-UHFFFAOYSA-N 1 1 296.386 3.683 20 30 CHEDMO N#CCC[N@H+](CCSc1ccc(F)cc1F)CC1CC1 ZINC000595335696 1127458780 /nfs/dbraw/zinc/45/87/80/1127458780.db2.gz XGOLNGWHCZWREU-UHFFFAOYSA-N 1 1 296.386 3.683 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000595622526 1127468354 /nfs/dbraw/zinc/46/83/54/1127468354.db2.gz BRYLTLLXMKRWLA-OAHLLOKOSA-N 1 1 274.433 3.545 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000595497991 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20 30 CHEDMO CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H](C)CCC#N)cs1 ZINC000602482712 1127584945 /nfs/dbraw/zinc/58/49/45/1127584945.db2.gz GFVDUCNVGSSWQU-STQMWFEESA-N 1 1 295.452 3.612 20 30 CHEDMO CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H](C)CCC#N)cs1 ZINC000602482712 1127584948 /nfs/dbraw/zinc/58/49/48/1127584948.db2.gz GFVDUCNVGSSWQU-STQMWFEESA-N 1 1 295.452 3.612 20 30 CHEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H](C)CCC#N)[C@H]2C ZINC000602598885 1127595176 /nfs/dbraw/zinc/59/51/76/1127595176.db2.gz ZMZNFQSNYXEBCL-KKUMJFAQSA-N 1 1 286.419 3.943 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000602675319 1127602088 /nfs/dbraw/zinc/60/20/88/1127602088.db2.gz MDUDNSLHQQKPBG-UTUOFQBUSA-N 1 1 262.319 3.589 20 30 CHEDMO CCC[N@@H+](CCc1cccs1)C[C@@H](C)CCC#N ZINC000602615577 1127597520 /nfs/dbraw/zinc/59/75/20/1127597520.db2.gz FZJIFEBVQCGILY-AWEZNQCLSA-N 1 1 264.438 3.942 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccccc1CC(F)(F)F ZINC000602614456 1127597543 /nfs/dbraw/zinc/59/75/43/1127597543.db2.gz ZKDGMNWKYFHVRX-ZDUSSCGKSA-N 1 1 270.298 3.573 20 30 CHEDMO CC[N@@H+](Cc1ccncc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000294767737 1127597709 /nfs/dbraw/zinc/59/77/09/1127597709.db2.gz JEWQPDNCTSGJFT-HNNXBMFYSA-N 1 1 279.387 3.845 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000602623697 1127598167 /nfs/dbraw/zinc/59/81/67/1127598167.db2.gz ZAVYWPIOHRDGGF-WOPDTQHZSA-N 1 1 262.319 3.589 20 30 CHEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602669404 1127604200 /nfs/dbraw/zinc/60/42/00/1127604200.db2.gz WKEXNHUJFIZNCV-CZUORRHYSA-N 1 1 288.439 3.884 20 30 CHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@@H](C)CCC#N)C2)c1 ZINC000602685798 1127604254 /nfs/dbraw/zinc/60/42/54/1127604254.db2.gz MJEBQXOBKZBTRN-XIRDDKMYSA-N 1 1 286.419 3.813 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000602697713 1127604845 /nfs/dbraw/zinc/60/48/45/1127604845.db2.gz LIVBTHALZGCZCU-NWDGAFQWSA-N 1 1 262.319 3.591 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)n1 ZINC000602677171 1127605759 /nfs/dbraw/zinc/60/57/59/1127605759.db2.gz WCGGLMFXLXOYLX-GOSISDBHSA-N 1 1 289.382 3.680 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)n1 ZINC000602677171 1127605761 /nfs/dbraw/zinc/60/57/61/1127605761.db2.gz WCGGLMFXLXOYLX-GOSISDBHSA-N 1 1 289.382 3.680 20 30 CHEDMO COc1cccc([C@@]2(C)CC[N@@H+](C[C@H](C)CCC#N)C2)c1 ZINC000602711918 1127607684 /nfs/dbraw/zinc/60/76/84/1127607684.db2.gz SBHRNZHDWQJCBY-QAPCUYQASA-N 1 1 286.419 3.598 20 30 CHEDMO CC(C)[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602710248 1127608031 /nfs/dbraw/zinc/60/80/31/1127608031.db2.gz WAKIICKNOVPLHC-KRWDZBQOSA-N 1 1 283.350 3.579 20 30 CHEDMO COc1ccc([C@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)cc1F ZINC000602731281 1127610816 /nfs/dbraw/zinc/61/08/16/1127610816.db2.gz UTORKXAKYZPUJV-HIFRSBDPSA-N 1 1 290.382 3.563 20 30 CHEDMO C[C@H](CC#N)[NH2+]Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000602869625 1127618413 /nfs/dbraw/zinc/61/84/13/1127618413.db2.gz HAJVACVABLMJJI-MNOVXSKESA-N 1 1 270.298 3.744 20 30 CHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602819201 1127616897 /nfs/dbraw/zinc/61/68/97/1127616897.db2.gz QJRMFXKYCCWDRK-HNNXBMFYSA-N 1 1 256.393 3.552 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602855946 1127617465 /nfs/dbraw/zinc/61/74/65/1127617465.db2.gz QRTKFLLZMLTFPL-HNAYVOBHSA-N 1 1 291.398 3.894 20 30 CHEDMO N#CCC1(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000602885104 1127619975 /nfs/dbraw/zinc/61/99/75/1127619975.db2.gz XWRDUWVIVPYQMA-OAHLLOKOSA-N 1 1 270.376 3.891 20 30 CHEDMO N#CCC1(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000602885104 1127619977 /nfs/dbraw/zinc/61/99/77/1127619977.db2.gz XWRDUWVIVPYQMA-OAHLLOKOSA-N 1 1 270.376 3.891 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927467 1127620706 /nfs/dbraw/zinc/62/07/06/1127620706.db2.gz SIEWFQQKEQJYBL-AWEZNQCLSA-N 1 1 260.381 3.992 20 30 CHEDMO Cc1ccc2ncc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)cc2c1 ZINC000602982894 1127624368 /nfs/dbraw/zinc/62/43/68/1127624368.db2.gz ZPHPHOLIXBHUHH-YJBOKZPZSA-N 1 1 279.387 3.667 20 30 CHEDMO Cc1ccc2ncc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)cc2c1 ZINC000602982894 1127624369 /nfs/dbraw/zinc/62/43/69/1127624369.db2.gz ZPHPHOLIXBHUHH-YJBOKZPZSA-N 1 1 279.387 3.667 20 30 CHEDMO CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602976784 1127624671 /nfs/dbraw/zinc/62/46/71/1127624671.db2.gz SWHSISRDVDDASV-DOTOQJQBSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602976784 1127624673 /nfs/dbraw/zinc/62/46/73/1127624673.db2.gz SWHSISRDVDDASV-DOTOQJQBSA-N 1 1 272.392 3.598 20 30 CHEDMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602974028 1127624777 /nfs/dbraw/zinc/62/47/77/1127624777.db2.gz IZSYVGGQHXKLOH-FZMZJTMJSA-N 1 1 282.309 3.829 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602974028 1127624779 /nfs/dbraw/zinc/62/47/79/1127624779.db2.gz IZSYVGGQHXKLOH-FZMZJTMJSA-N 1 1 282.309 3.829 20 30 CHEDMO CSc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602975463 1127624923 /nfs/dbraw/zinc/62/49/23/1127624923.db2.gz BGEZKTYJGITAGI-DZGCQCFKSA-N 1 1 260.406 3.533 20 30 CHEDMO CSc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602975463 1127624925 /nfs/dbraw/zinc/62/49/25/1127624925.db2.gz BGEZKTYJGITAGI-DZGCQCFKSA-N 1 1 260.406 3.533 20 30 CHEDMO CCCCC[C@@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598626847 1127629957 /nfs/dbraw/zinc/62/99/57/1127629957.db2.gz BVPWDKYYKZBHLP-HZPDHXFCSA-N 1 1 280.456 3.722 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598587619 1127626426 /nfs/dbraw/zinc/62/64/26/1127626426.db2.gz SUFFMTULGBUXQO-DLBZAZTESA-N 1 1 288.435 3.760 20 30 CHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000598593101 1127627596 /nfs/dbraw/zinc/62/75/96/1127627596.db2.gz PVSQILKKNGZQIY-DLBZAZTESA-N 1 1 292.467 3.722 20 30 CHEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598615704 1127627621 /nfs/dbraw/zinc/62/76/21/1127627621.db2.gz LCFZKYGXUCUTBF-HNNXBMFYSA-N 1 1 280.456 3.579 20 30 CHEDMO CCOc1cncc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000598641837 1127629594 /nfs/dbraw/zinc/62/95/94/1127629594.db2.gz OTPCBXGTDWFNGW-GOSISDBHSA-N 1 1 295.386 3.615 20 30 CHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000598629165 1127630563 /nfs/dbraw/zinc/63/05/63/1127630563.db2.gz YKLQKBAKRRJDDY-DLBZAZTESA-N 1 1 292.467 3.579 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1C#N ZINC000599335750 1127667184 /nfs/dbraw/zinc/66/71/84/1127667184.db2.gz CKJSTURBDOIVNP-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)cc1C#N ZINC000599417786 1127670547 /nfs/dbraw/zinc/67/05/47/1127670547.db2.gz UTCFPRSOZCVFID-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750253174 1127675339 /nfs/dbraw/zinc/67/53/39/1127675339.db2.gz XDGGJHBSKJKIIV-JKSUJKDBSA-N 1 1 253.430 3.705 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000599530437 1127678890 /nfs/dbraw/zinc/67/88/90/1127678890.db2.gz XHVGUZFTTLPCSD-LBPRGKRZSA-N 1 1 260.768 3.610 20 30 CHEDMO C[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599678291 1127686515 /nfs/dbraw/zinc/68/65/15/1127686515.db2.gz HJQQZBYGYDWGIA-MRXNPFEDSA-N 1 1 290.410 3.914 20 30 CHEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC#N ZINC000599652528 1127686781 /nfs/dbraw/zinc/68/67/81/1127686781.db2.gz OBKSJXFGEXGTHJ-AAEUAGOBSA-N 1 1 293.208 3.541 20 30 CHEDMO C/C=C/C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000599693332 1127687397 /nfs/dbraw/zinc/68/73/97/1127687397.db2.gz ZYNUYWOZJZNLAH-YATRRXNKSA-N 1 1 290.451 3.765 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2OC(C)C)C1 ZINC001238748271 1131240491 /nfs/dbraw/zinc/24/04/91/1131240491.db2.gz RWIMKZYQSHEXEH-ZDUSSCGKSA-N 1 1 293.357 3.597 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2OC(C)C)C1 ZINC001238748271 1131240495 /nfs/dbraw/zinc/24/04/95/1131240495.db2.gz RWIMKZYQSHEXEH-ZDUSSCGKSA-N 1 1 293.357 3.597 20 30 CHEDMO COCC[C@@H]1CCCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365467720 1127730223 /nfs/dbraw/zinc/73/02/23/1127730223.db2.gz VQALVDHPZOXHFO-INIZCTEOSA-N 1 1 280.456 3.845 20 30 CHEDMO Cc1cc(F)ccc1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000366389771 1127746136 /nfs/dbraw/zinc/74/61/36/1127746136.db2.gz XCGJGXLPAYMFLT-OAHLLOKOSA-N 1 1 299.393 3.757 20 30 CHEDMO CCC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000409446523 1127768020 /nfs/dbraw/zinc/76/80/20/1127768020.db2.gz XMDBDEVFJVSKDZ-INIZCTEOSA-N 1 1 280.456 3.988 20 30 CHEDMO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000409447216 1127768772 /nfs/dbraw/zinc/76/87/72/1127768772.db2.gz XJKZELJCBUBXDQ-SQNIBIBYSA-N 1 1 298.430 3.716 20 30 CHEDMO CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000409447216 1127768774 /nfs/dbraw/zinc/76/87/74/1127768774.db2.gz XJKZELJCBUBXDQ-SQNIBIBYSA-N 1 1 298.430 3.716 20 30 CHEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC000594004349 1127768875 /nfs/dbraw/zinc/76/88/75/1127768875.db2.gz DLKGEHSWBWLVBF-SFHVURJKSA-N 1 1 291.398 3.560 20 30 CHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000606902590 1127781450 /nfs/dbraw/zinc/78/14/50/1127781450.db2.gz AVOFZIUNJPMCFF-UHFFFAOYSA-N 1 1 288.435 3.866 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372297996 1127794142 /nfs/dbraw/zinc/79/41/42/1127794142.db2.gz XBRLEYXONFVMRW-RDTXWAMCSA-N 1 1 284.403 3.510 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410384845 1127807988 /nfs/dbraw/zinc/80/79/88/1127807988.db2.gz WGUNTKLHXZQNMN-ZACQAIPSSA-N 1 1 290.451 3.740 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000063300912 1127810191 /nfs/dbraw/zinc/81/01/91/1127810191.db2.gz AXQOKTLIZQTYBA-UHFFFAOYSA-N 1 1 287.366 3.618 20 30 CHEDMO C=CCCCCC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000373239574 1127829976 /nfs/dbraw/zinc/82/99/76/1127829976.db2.gz DKYZQOXCYZPSBO-OAHLLOKOSA-N 1 1 251.414 3.624 20 30 CHEDMO CCCCCCCCN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000373277909 1127831500 /nfs/dbraw/zinc/83/15/00/1127831500.db2.gz JOQUFEDTTUKFQL-KRWDZBQOSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000373277909 1127831504 /nfs/dbraw/zinc/83/15/04/1127831504.db2.gz JOQUFEDTTUKFQL-KRWDZBQOSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000373277909 1127831507 /nfs/dbraw/zinc/83/15/07/1127831507.db2.gz JOQUFEDTTUKFQL-KRWDZBQOSA-N 1 1 296.499 3.532 20 30 CHEDMO CC[N@@H+](CCCCCCCO)[C@@H](C)c1ccc(C#N)cc1 ZINC000173562138 1127839836 /nfs/dbraw/zinc/83/98/36/1127839836.db2.gz FBXMYSUTONIVGT-INIZCTEOSA-N 1 1 288.435 3.884 20 30 CHEDMO C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)CC12CCCCC2 ZINC000373410700 1127841768 /nfs/dbraw/zinc/84/17/68/1127841768.db2.gz AKEZDNIGIODSHJ-HZPDHXFCSA-N 1 1 273.424 3.722 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000411190624 1127847246 /nfs/dbraw/zinc/84/72/46/1127847246.db2.gz HZZFQYNETXAPEI-HNNXBMFYSA-N 1 1 270.376 3.775 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000411190624 1127847251 /nfs/dbraw/zinc/84/72/51/1127847251.db2.gz HZZFQYNETXAPEI-HNNXBMFYSA-N 1 1 270.376 3.775 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1cccnc1 ZINC000411203186 1127846639 /nfs/dbraw/zinc/84/66/39/1127846639.db2.gz WQAOAZGAMMMAAS-MRXNPFEDSA-N 1 1 266.388 3.873 20 30 CHEDMO CCOc1ccccc1C1=CC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411195552 1127846789 /nfs/dbraw/zinc/84/67/89/1127846789.db2.gz SWFRDKZSWRRJJT-HNNXBMFYSA-N 1 1 284.403 3.867 20 30 CHEDMO CCOC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411279145 1127851358 /nfs/dbraw/zinc/85/13/58/1127851358.db2.gz KTXAFGKDRLBFDU-INIZCTEOSA-N 1 1 278.440 3.599 20 30 CHEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nnc(CC)o1 ZINC000411264483 1127850031 /nfs/dbraw/zinc/85/00/31/1127850031.db2.gz VCTXCJUDSAYYCA-CYBMUJFWSA-N 1 1 277.412 3.761 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nnc(CC)o1 ZINC000411264483 1127850033 /nfs/dbraw/zinc/85/00/33/1127850033.db2.gz VCTXCJUDSAYYCA-CYBMUJFWSA-N 1 1 277.412 3.761 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000411261937 1127850725 /nfs/dbraw/zinc/85/07/25/1127850725.db2.gz RXDIGSXBHXRWRX-RDJZCZTQSA-N 1 1 256.393 3.633 20 30 CHEDMO CC[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccn1 ZINC000411318726 1127854726 /nfs/dbraw/zinc/85/47/26/1127854726.db2.gz QNPFKIVDXKNMRS-UHFFFAOYSA-N 1 1 271.408 3.768 20 30 CHEDMO N#CCC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000411516169 1127864250 /nfs/dbraw/zinc/86/42/50/1127864250.db2.gz JHWGGQUBDGQWCI-AWEZNQCLSA-N 1 1 256.374 3.535 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000411634878 1127868419 /nfs/dbraw/zinc/86/84/19/1127868419.db2.gz MGQUDZUBJQDBAT-JTQLQIEISA-N 1 1 254.736 3.603 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411862790 1127876234 /nfs/dbraw/zinc/87/62/34/1127876234.db2.gz BNXDWAIJOHENAQ-UHFFFAOYSA-N 1 1 266.454 3.678 20 30 CHEDMO COC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411869652 1127876645 /nfs/dbraw/zinc/87/66/45/1127876645.db2.gz 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CC[N@@H+](Cc1cccc(OCC(C)C)c1)C[C@@H](C)C#N ZINC000540507029 1127981867 /nfs/dbraw/zinc/98/18/67/1127981867.db2.gz KFJZSIMMHKFQQO-HNNXBMFYSA-N 1 1 274.408 3.703 20 30 CHEDMO CC[N@H+](Cc1cccc(OCC(C)C)c1)C[C@@H](C)C#N ZINC000540507029 1127981869 /nfs/dbraw/zinc/98/18/69/1127981869.db2.gz KFJZSIMMHKFQQO-HNNXBMFYSA-N 1 1 274.408 3.703 20 30 CHEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000540552145 1127984256 /nfs/dbraw/zinc/98/42/56/1127984256.db2.gz BYFGQNJDZUSRLF-DLBZAZTESA-N 1 1 268.404 3.867 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300257064 1127997063 /nfs/dbraw/zinc/99/70/63/1127997063.db2.gz LKQLJLPCGWAXAF-BRWVUGGUSA-N 1 1 265.441 3.748 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000300257402 1127997601 /nfs/dbraw/zinc/99/76/01/1127997601.db2.gz OAIZHXQVHCDUHU-HOTGVXAUSA-N 1 1 253.430 3.748 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000541349532 1128019402 /nfs/dbraw/zinc/01/94/02/1128019402.db2.gz 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ZINC000557220058 1128094958 /nfs/dbraw/zinc/09/49/58/1128094958.db2.gz WQZRDTAKPGIWEB-UHFFFAOYSA-N 1 1 270.401 3.961 20 30 CHEDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000487673200 1128123943 /nfs/dbraw/zinc/12/39/43/1128123943.db2.gz IMIYGIORYKWGKS-MRXNPFEDSA-N 1 1 294.398 3.939 20 30 CHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000925184380 1128125146 /nfs/dbraw/zinc/12/51/46/1128125146.db2.gz BXAGIVNPVDNOIJ-ABAIWWIYSA-N 1 1 281.359 3.583 20 30 CHEDMO N#CCC[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925602970 1128133677 /nfs/dbraw/zinc/13/36/77/1128133677.db2.gz YIGZBQKHSHTOOM-OTWHNJEPSA-N 1 1 297.446 3.638 20 30 CHEDMO N#CCC[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925602970 1128133683 /nfs/dbraw/zinc/13/36/83/1128133683.db2.gz YIGZBQKHSHTOOM-OTWHNJEPSA-N 1 1 297.446 3.638 20 30 CHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccns1 ZINC000925602746 1128133812 /nfs/dbraw/zinc/13/38/12/1128133812.db2.gz XMMOEDMASJFCJT-GXTWGEPZSA-N 1 1 271.389 3.839 20 30 CHEDMO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1ccc(C#N)cc1F ZINC000494048568 1128154261 /nfs/dbraw/zinc/15/42/61/1128154261.db2.gz LFSKEJVUCXCDNC-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000494097580 1128155086 /nfs/dbraw/zinc/15/50/86/1128155086.db2.gz HXJJCDFPISXOEJ-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO Cc1cccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccccn2)c1 ZINC000926346188 1128168457 /nfs/dbraw/zinc/16/84/57/1128168457.db2.gz STRRJJGGKMIEJF-GOSISDBHSA-N 1 1 291.398 3.763 20 30 CHEDMO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ncco1 ZINC000926479440 1128173912 /nfs/dbraw/zinc/17/39/12/1128173912.db2.gz JYOANCIYCPKLOK-UKRRQHHQSA-N 1 1 269.348 3.760 20 30 CHEDMO C=C(CC)C[NH2+][C@H](c1ccccn1)c1ccccc1OC ZINC000926548897 1128180109 /nfs/dbraw/zinc/18/01/09/1128180109.db2.gz CGKPFQVXRSIVAN-SFHVURJKSA-N 1 1 282.387 3.735 20 30 CHEDMO N#CC1(C[NH2+][C@H](c2ccccn2)C2CCC2)CCCCC1 ZINC000926711483 1128189878 /nfs/dbraw/zinc/18/98/78/1128189878.db2.gz 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C=C(Cl)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000101729911 1122852562 /nfs/dbraw/zinc/85/25/62/1122852562.db2.gz RSYRFEDWRFFBPL-UHFFFAOYSA-N 1 1 290.794 3.959 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccccc2C)c1C ZINC000894469084 1122859918 /nfs/dbraw/zinc/85/99/18/1122859918.db2.gz KCWUIWFMIZGUFI-INIZCTEOSA-N 1 1 296.418 3.579 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000229148826 1122867908 /nfs/dbraw/zinc/86/79/08/1122867908.db2.gz IZNHFRBDTMXJGP-DYVFJYSZSA-N 1 1 256.393 3.877 20 30 CHEDMO C=C1CC=C(F)C=C1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973135 1122869782 /nfs/dbraw/zinc/86/97/82/1122869782.db2.gz HLLBGVPLSXKRSH-ALOPSCKCSA-N 1 1 288.410 3.679 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001195464180 1122870132 /nfs/dbraw/zinc/87/01/32/1122870132.db2.gz RGMSLWDDKGKQBF-SJLPKXTDSA-N 1 1 267.416 3.842 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC001195955152 1122899723 /nfs/dbraw/zinc/89/97/23/1122899723.db2.gz 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KGJUSWNNBUFHEE-LLVKDONJSA-N 1 1 253.748 3.672 20 30 CHEDMO CCCCC(N)=[NH+]OCc1cccc2ccccc21 ZINC000049066199 1123076709 /nfs/dbraw/zinc/07/67/09/1123076709.db2.gz OFGSKSHXEVXCDH-UHFFFAOYSA-N 1 1 256.349 3.819 20 30 CHEDMO C#CC[N@@H+](C[C@@H]1CC=CCC1)[C@@H]1CCc2ccccc21 ZINC001201417913 1123097992 /nfs/dbraw/zinc/09/79/92/1123097992.db2.gz LNEBQAYWCITAQQ-VQIMIIECSA-N 1 1 265.400 3.965 20 30 CHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)cc1 ZINC001201430067 1123099574 /nfs/dbraw/zinc/09/95/74/1123099574.db2.gz XUVKXGAWLOZNOI-PKOBYXMFSA-N 1 1 296.414 3.758 20 30 CHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)cc1 ZINC001201430064 1123099841 /nfs/dbraw/zinc/09/98/41/1123099841.db2.gz XUVKXGAWLOZNOI-HKUYNNGSSA-N 1 1 296.414 3.758 20 30 CHEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](CO)C1 ZINC001201631516 1123129890 /nfs/dbraw/zinc/12/98/90/1123129890.db2.gz VCKGYMPWOTTZQB-MRXNPFEDSA-N 1 1 255.446 3.831 20 30 CHEDMO CCCCCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001201631720 1123130125 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CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201776798 1123151113 /nfs/dbraw/zinc/15/11/13/1123151113.db2.gz LXFLSLKAQWTWER-IAGOWNOFSA-N 1 1 294.483 3.536 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001201804990 1123151433 /nfs/dbraw/zinc/15/14/33/1123151433.db2.gz XPXCSCQNLSQQBC-HNNXBMFYSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001201852517 1123152493 /nfs/dbraw/zinc/15/24/93/1123152493.db2.gz BJFWIVMEMWJDQI-HNNXBMFYSA-N 1 1 279.428 3.918 20 30 CHEDMO CCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001201838802 1123153845 /nfs/dbraw/zinc/15/38/45/1123153845.db2.gz FLNZQXWKZBYISE-CABCVRRESA-N 1 1 259.409 3.532 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCCO2)C1 ZINC001201838689 1123154008 /nfs/dbraw/zinc/15/40/08/1123154008.db2.gz DAVBVVFFAVEICO-MRXNPFEDSA-N 1 1 253.430 3.992 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001201875389 1123156899 /nfs/dbraw/zinc/15/68/99/1123156899.db2.gz XTDKFHYGCYRGLZ-IAGOWNOFSA-N 1 1 294.483 3.822 20 30 CHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000106245738 1123156959 /nfs/dbraw/zinc/15/69/59/1123156959.db2.gz QYWFYFALBQSUQX-PBHICJAKSA-N 1 1 288.435 3.533 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000067445696 1123201272 /nfs/dbraw/zinc/20/12/72/1123201272.db2.gz GMNCLHNZSZWVJT-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000067445696 1123201274 /nfs/dbraw/zinc/20/12/74/1123201274.db2.gz GMNCLHNZSZWVJT-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO C#CC[N@H+](Cc1csc(-c2ccccn2)n1)C1CCCC1 ZINC000155733794 1129105508 /nfs/dbraw/zinc/10/55/08/1129105508.db2.gz BDESUTGLFCPIMV-UHFFFAOYSA-N 1 1 297.427 3.583 20 30 CHEDMO C#CC[N@@H+](Cc1csc(-c2ccccn2)n1)C1CCCC1 ZINC000155733794 1129105510 /nfs/dbraw/zinc/10/55/10/1129105510.db2.gz BDESUTGLFCPIMV-UHFFFAOYSA-N 1 1 297.427 3.583 20 30 CHEDMO C=C(C)C[NH+]1CCC(NCc2c(C)oc3ccccc32)CC1 ZINC000155892638 1129106920 /nfs/dbraw/zinc/10/69/20/1129106920.db2.gz PWRFFDYCNBSQRE-UHFFFAOYSA-N 1 1 298.430 3.871 20 30 CHEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1Cl ZINC000507813190 1123221838 /nfs/dbraw/zinc/22/18/38/1123221838.db2.gz JGXRPYAANADBDR-LLVKDONJSA-N 1 1 262.784 3.773 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001252122972 1123223195 /nfs/dbraw/zinc/22/31/95/1123223195.db2.gz AYFIBSDKDSXXEC-BZSNNMDCSA-N 1 1 299.499 3.581 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544183974 1123276239 /nfs/dbraw/zinc/27/62/39/1123276239.db2.gz RZQVMUIJMWUGRK-CJNGLKHVSA-N 1 1 256.393 3.987 20 30 CHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428229457 1123284286 /nfs/dbraw/zinc/28/42/86/1123284286.db2.gz FTFYSOJQVVDNKG-QWHCGFSZSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccnc(Cl)c1 ZINC000850549438 1123288851 /nfs/dbraw/zinc/28/88/51/1123288851.db2.gz GRLFOTFXYDKXLL-GFCCVEGCSA-N 1 1 277.799 3.860 20 30 CHEDMO CC(C)O[C@H](C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000428251280 1123317577 /nfs/dbraw/zinc/31/75/77/1123317577.db2.gz YZKYGOLTFVVQBT-GOSISDBHSA-N 1 1 286.419 3.778 20 30 CHEDMO CC(C)O[C@H](C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000428251280 1123317582 /nfs/dbraw/zinc/31/75/82/1123317582.db2.gz YZKYGOLTFVVQBT-GOSISDBHSA-N 1 1 286.419 3.778 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)ccc1C#N ZINC000442814018 1123341369 /nfs/dbraw/zinc/34/13/69/1123341369.db2.gz UJTAFOPHWDWPPN-OAHLLOKOSA-N 1 1 298.411 3.965 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442884224 1123346885 /nfs/dbraw/zinc/34/68/85/1123346885.db2.gz GRFLCZMCHKLMAX-YOEHRIQHSA-N 1 1 256.393 3.987 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CC2(CCCC2)O1 ZINC000443327894 1123386612 /nfs/dbraw/zinc/38/66/12/1123386612.db2.gz OLAGEZNTVHQJHX-UHFFFAOYSA-N 1 1 298.430 3.676 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC2=CCCCC2)C1 ZINC000852333542 1123403058 /nfs/dbraw/zinc/40/30/58/1123403058.db2.gz ORQSAGCUUNFRMV-LJQANCHMSA-N 1 1 295.430 3.829 20 30 CHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000852333542 1123403059 /nfs/dbraw/zinc/40/30/59/1123403059.db2.gz ORQSAGCUUNFRMV-LJQANCHMSA-N 1 1 295.430 3.829 20 30 CHEDMO CC(C)C[C@H](C)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333821 1123403759 /nfs/dbraw/zinc/40/37/59/1123403759.db2.gz WCEPFRDLWYZQHF-FUHWJXTLSA-N 1 1 285.435 3.621 20 30 CHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC3(CCCC3)CC2)cc1 ZINC000852354819 1123404335 /nfs/dbraw/zinc/40/43/35/1123404335.db2.gz KMMNORZKHIOYJU-GOSISDBHSA-N 1 1 298.430 3.638 20 30 CHEDMO C=CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)C(C)(C)C ZINC000852554173 1123408865 /nfs/dbraw/zinc/40/88/65/1123408865.db2.gz FIUZLMWRCHRLDO-AWEZNQCLSA-N 1 1 267.800 3.660 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(Cl)cc1 ZINC000852685310 1123411884 /nfs/dbraw/zinc/41/18/84/1123411884.db2.gz DWAUEEPEJAHJJH-XHSDSOJGSA-N 1 1 277.795 3.556 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852686694 1123412481 /nfs/dbraw/zinc/41/24/81/1123412481.db2.gz ZPJPVQVTPZMAOP-BETUJISGSA-N 1 1 292.766 3.931 20 30 CHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000852712009 1123412515 /nfs/dbraw/zinc/41/25/15/1123412515.db2.gz KKJISJBGWZANCL-GOEBONIOSA-N 1 1 272.392 3.742 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(Cl)c(F)c1 ZINC000852686968 1123412918 /nfs/dbraw/zinc/41/29/18/1123412918.db2.gz CSBJXOKXGVBGEX-TXEJJXNPSA-N 1 1 266.747 3.557 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(Cl)c(F)c1 ZINC000852686968 1123412919 /nfs/dbraw/zinc/41/29/19/1123412919.db2.gz CSBJXOKXGVBGEX-TXEJJXNPSA-N 1 1 266.747 3.557 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000853525320 1123442548 /nfs/dbraw/zinc/44/25/48/1123442548.db2.gz CUQHHSQOKDHSIF-AWEZNQCLSA-N 1 1 280.371 3.671 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895556812 1123491525 /nfs/dbraw/zinc/49/15/25/1123491525.db2.gz CHYMMWAXQBTGPV-JTQLQIEISA-N 1 1 290.354 3.646 20 30 CHEDMO C[N@@H+](CCc1ccc(Cl)cc1)CCC(C)(C)C#N ZINC000543702882 1123499595 /nfs/dbraw/zinc/49/95/95/1123499595.db2.gz VKKMIFJALIOEIO-UHFFFAOYSA-N 1 1 264.800 3.754 20 30 CHEDMO C=C(C)C[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930243636 1123501297 /nfs/dbraw/zinc/50/12/97/1123501297.db2.gz HWORTAMMPNZJOC-ZIAGYGMSSA-N 1 1 251.320 3.543 20 30 CHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000399008329 1123508167 /nfs/dbraw/zinc/50/81/67/1123508167.db2.gz VTZSYTWQWLSSTI-RHSMWYFYSA-N 1 1 256.393 3.763 20 30 CHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000776801104 1123514658 /nfs/dbraw/zinc/51/46/58/1123514658.db2.gz PVNPMYGPCLREOL-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO Cc1csc(C[C@@H]2CCC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000895823786 1123518143 /nfs/dbraw/zinc/51/81/43/1123518143.db2.gz SCHCPYUHXLZMQM-ZFWWWQNUSA-N 1 1 291.464 3.646 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1coc2ccc(F)cc12 ZINC001141852817 1123527701 /nfs/dbraw/zinc/52/77/01/1123527701.db2.gz SEIIRDRWOBHDEO-UHFFFAOYSA-N 1 1 260.312 3.698 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1coc2ccc(F)cc12 ZINC001141852817 1123527703 /nfs/dbraw/zinc/52/77/03/1123527703.db2.gz SEIIRDRWOBHDEO-UHFFFAOYSA-N 1 1 260.312 3.698 20 30 CHEDMO Clc1c(C=NNc2cc[nH+]cc2)sc2ccccc12 ZINC000779808641 1129128166 /nfs/dbraw/zinc/12/81/66/1129128166.db2.gz FGPHAXXMFARGOR-UHFFFAOYSA-N 1 1 287.775 3.818 20 30 CHEDMO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856477034 1123561646 /nfs/dbraw/zinc/56/16/46/1123561646.db2.gz LNPSLJBHCWZILP-QGZVFWFLSA-N 1 1 294.483 3.585 20 30 CHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C#N)C2)c1 ZINC000339006003 1123617723 /nfs/dbraw/zinc/61/77/23/1123617723.db2.gz MKXVASQTQRFKRR-WBAXXEDZSA-N 1 1 283.419 3.582 20 30 CHEDMO C=CCC1(C[NH2+][C@H]2CCCc3c[nH]nc32)CCCC1 ZINC000857869116 1123623162 /nfs/dbraw/zinc/62/31/62/1123623162.db2.gz JXVDDZWGPNRCIV-AWEZNQCLSA-N 1 1 259.397 3.513 20 30 CHEDMO CC[N@@H+](Cc1ccnc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000859089539 1123683517 /nfs/dbraw/zinc/68/35/17/1123683517.db2.gz HFPLPJXTKRYEBC-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639494981 1123750951 /nfs/dbraw/zinc/75/09/51/1123750951.db2.gz MEDKQKBPKMSHDD-UHFFFAOYSA-N 1 1 263.385 3.515 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639494981 1123750949 /nfs/dbraw/zinc/75/09/49/1123750949.db2.gz MEDKQKBPKMSHDD-UHFFFAOYSA-N 1 1 263.385 3.515 20 30 CHEDMO N#CC1(CCn2c[nH+]c3c2CCCC3)CCCCC1 ZINC000336282551 1123756614 /nfs/dbraw/zinc/75/66/14/1123756614.db2.gz RVLXUKOSWHLWQH-UHFFFAOYSA-N 1 1 257.381 3.626 20 30 CHEDMO C=CCCC[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000475062380 1123774614 /nfs/dbraw/zinc/77/46/14/1123774614.db2.gz DOAHREDGTNIIBR-MRXNPFEDSA-N 1 1 261.409 3.880 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000862444952 1123810887 /nfs/dbraw/zinc/81/08/87/1123810887.db2.gz JKQWKBWMDWYRDJ-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000862444523 1123811534 /nfs/dbraw/zinc/81/15/34/1123811534.db2.gz BJRRPWDWLJTWSL-CQSZACIVSA-N 1 1 282.412 3.655 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000186202845 1123813739 /nfs/dbraw/zinc/81/37/39/1123813739.db2.gz MUYQTCJFJUWOPT-QGZVFWFLSA-N 1 1 254.377 3.631 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C1 ZINC000186245826 1123817863 /nfs/dbraw/zinc/81/78/63/1123817863.db2.gz BGEONLXZMFUVHQ-IRXDYDNUSA-N 1 1 288.460 3.973 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000186262078 1123821580 /nfs/dbraw/zinc/82/15/80/1123821580.db2.gz REOURZMVNHNUTE-SFHVURJKSA-N 1 1 279.387 3.542 20 30 CHEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403905528 1123836492 /nfs/dbraw/zinc/83/64/92/1123836492.db2.gz WSXWGOKXAUPHOX-LSDHHAIUSA-N 1 1 266.429 3.596 20 30 CHEDMO CC(=[NH+]n1cccn1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000863165776 1123849189 /nfs/dbraw/zinc/84/91/89/1123849189.db2.gz NRNCKNHVHYQDOP-CHWSQXEVSA-N 1 1 259.740 3.564 20 30 CHEDMO CC([NH2+]Nc1ccnc(C(F)(F)F)c1)=C1CC1(F)F ZINC000863179582 1123850084 /nfs/dbraw/zinc/85/00/84/1123850084.db2.gz YSYNZNQFQKMMDM-QMMMGPOBSA-N 1 1 279.212 3.543 20 30 CHEDMO CCCCCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000863540005 1123875257 /nfs/dbraw/zinc/87/52/57/1123875257.db2.gz PKWDGJUPKVCDDW-DOTOQJQBSA-N 1 1 262.441 3.505 20 30 CHEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1O ZINC000119742915 1123905512 /nfs/dbraw/zinc/90/55/12/1123905512.db2.gz HMOLSYOJUQEARI-UHFFFAOYSA-N 1 1 298.361 3.815 20 30 CHEDMO N#Cc1ccc(F)c(CNc2[nH+]ccc3cc(F)ccc32)c1 ZINC000864009695 1123909366 /nfs/dbraw/zinc/90/93/66/1123909366.db2.gz QOPFXBQNUFEXPR-UHFFFAOYSA-N 1 1 295.292 3.997 20 30 CHEDMO C=C(C)COCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000301708740 1123926150 /nfs/dbraw/zinc/92/61/50/1123926150.db2.gz JKYVJETXBONRHE-UHFFFAOYSA-N 1 1 286.375 3.556 20 30 CHEDMO CCCCCCCS(=O)(=O)Cc1c(C)cc(C)[nH+]c1C ZINC000864503698 1123932279 /nfs/dbraw/zinc/93/22/79/1123932279.db2.gz FZXRDCIGRUBEQB-UHFFFAOYSA-N 1 1 297.464 3.892 20 30 CHEDMO CCCCCCCCCn1cc(Cn2cc[nH+]c2C)nn1 ZINC000864639135 1123938537 /nfs/dbraw/zinc/93/85/37/1123938537.db2.gz WXFBSUDZSRJWNP-UHFFFAOYSA-N 1 1 289.427 3.582 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001252603123 1123939211 /nfs/dbraw/zinc/93/92/11/1123939211.db2.gz MCMOHUOZQNQPHU-UYSNPLJNSA-N 1 1 267.457 3.850 20 30 CHEDMO C=CCN(CCOC)c1cc[nH+]c2ccc(Cl)cc21 ZINC000302700196 1123978122 /nfs/dbraw/zinc/97/81/22/1123978122.db2.gz HTDDNRMNYVISBW-UHFFFAOYSA-N 1 1 276.767 3.527 20 30 CHEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000763650413 1129159767 /nfs/dbraw/zinc/15/97/67/1129159767.db2.gz YUZGDDWGNHHTMX-INIZCTEOSA-N 1 1 297.446 3.801 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc3c(F)cccc3c2)CCCCC1 ZINC000865630899 1124001028 /nfs/dbraw/zinc/00/10/28/1124001028.db2.gz VLJDJYDUUNFVTD-UHFFFAOYSA-N 1 1 297.377 3.938 20 30 CHEDMO CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866240468 1124040293 /nfs/dbraw/zinc/04/02/93/1124040293.db2.gz GMAMGXLDZZEUQM-ZDUSSCGKSA-N 1 1 296.370 3.513 20 30 CHEDMO CC(C)N(CC[N@H+](C)CCCCC(C)(C)C#N)C(C)C ZINC000444676093 1124051867 /nfs/dbraw/zinc/05/18/67/1124051867.db2.gz PPTUJQOFALGGAP-UHFFFAOYSA-N 1 1 281.488 3.757 20 30 CHEDMO CC(C)N(CC[N@@H+](C)CCCCC(C)(C)C#N)C(C)C ZINC000444676093 1124051873 /nfs/dbraw/zinc/05/18/73/1124051873.db2.gz PPTUJQOFALGGAP-UHFFFAOYSA-N 1 1 281.488 3.757 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1SC ZINC000428375730 1124056590 /nfs/dbraw/zinc/05/65/90/1124056590.db2.gz SXIPKYHSJIMYEJ-UHFFFAOYSA-N 1 1 286.238 3.789 20 30 CHEDMO C=CC[C@@H]1[N@@H+](CCn2nc(C)cc2C)CCCC1(C)C ZINC000444782234 1124059909 /nfs/dbraw/zinc/05/99/09/1124059909.db2.gz IHGZTTORLLQIOR-INIZCTEOSA-N 1 1 275.440 3.567 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCCSCC#N)CCCC1(C)C ZINC000444775671 1124062611 /nfs/dbraw/zinc/06/26/11/1124062611.db2.gz AODFVDXNGIGSLT-AWEZNQCLSA-N 1 1 266.454 3.700 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000121592785 1124098118 /nfs/dbraw/zinc/09/81/18/1124098118.db2.gz RGGNAYGOIFKKMD-HUUCEWRRSA-N 1 1 292.423 3.803 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cn2c(n1)CCCC2 ZINC000925184269 1124116144 /nfs/dbraw/zinc/11/61/44/1124116144.db2.gz AGOCCBQSWQDHOY-ZIAGYGMSSA-N 1 1 294.402 3.503 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ccc(C)nc2)CCCC1(C)C ZINC000446830151 1124124354 /nfs/dbraw/zinc/12/43/54/1124124354.db2.gz PABYKPGKHCTDJP-MRXNPFEDSA-N 1 1 258.409 3.957 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1OC ZINC000428456409 1124126558 /nfs/dbraw/zinc/12/65/58/1124126558.db2.gz HSJIRDNSECGNQJ-HZPDHXFCSA-N 1 1 287.403 3.634 20 30 CHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC000447100747 1124133360 /nfs/dbraw/zinc/13/33/60/1124133360.db2.gz VOVYVMAUIDFGLT-MRXNPFEDSA-N 1 1 278.399 3.930 20 30 CHEDMO CCc1cc(C[N@H+]2CCCC[C@H]2CCOC)ccc1C#N ZINC001238775132 1131244017 /nfs/dbraw/zinc/24/40/17/1131244017.db2.gz OJGCAWFHGPIUDF-SFHVURJKSA-N 1 1 286.419 3.512 20 30 CHEDMO CCc1cc(C[N@@H+]2CCOc3ccccc3C2)ccc1C#N ZINC001238776296 1131245399 /nfs/dbraw/zinc/24/53/99/1131245399.db2.gz VBQCCIJNSXDLOA-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO CCc1cc(C[N@H+]2CCOc3ccccc3C2)ccc1C#N ZINC001238776296 1131245404 /nfs/dbraw/zinc/24/54/04/1131245404.db2.gz VBQCCIJNSXDLOA-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO Cc1c(N)cc[nH+]c1-c1ccc(C(F)(F)F)cc1C#N ZINC001238836992 1131253220 /nfs/dbraw/zinc/25/32/20/1131253220.db2.gz BBLFCZWKQVBWJR-UHFFFAOYSA-N 1 1 277.249 3.530 20 30 CHEDMO CCC[C@]1(COC)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000447396422 1124471803 /nfs/dbraw/zinc/47/18/03/1124471803.db2.gz VSPZJVOESVLAEP-QGZVFWFLSA-N 1 1 280.456 3.988 20 30 CHEDMO CC[N@@H+](CCCc1c(F)cccc1Cl)C[C@@H](C)C#N ZINC000447743035 1124519857 /nfs/dbraw/zinc/51/98/57/1124519857.db2.gz FZAOYGCWFFLLOZ-LBPRGKRZSA-N 1 1 282.790 3.893 20 30 CHEDMO CCCCCCCCCCCC[C@@H](O)C[NH2+]C1(CN)CC1 ZINC001246008061 1131267347 /nfs/dbraw/zinc/26/73/47/1131267347.db2.gz RZTZUQVOHDOGAC-QGZVFWFLSA-N 1 1 298.515 3.739 20 30 CHEDMO Cc1cnc([C@@H]([NH2+]Cc2csc(C#N)c2)C2CC2)s1 ZINC001120008123 1131270778 /nfs/dbraw/zinc/27/07/78/1131270778.db2.gz KPMKRVNBHRGOIQ-ZDUSSCGKSA-N 1 1 289.429 3.626 20 30 CHEDMO C[N@H+](Cc1ccnn1C1CCCC1)Cc1cccc(C#N)c1 ZINC000449010646 1124633783 /nfs/dbraw/zinc/63/37/83/1124633783.db2.gz MHKACIUHVXWATL-UHFFFAOYSA-N 1 1 294.402 3.502 20 30 CHEDMO C[N@@H+](Cc1ccnn1C1CCCC1)Cc1cccc(C#N)c1 ZINC000449010646 1124633787 /nfs/dbraw/zinc/63/37/87/1124633787.db2.gz MHKACIUHVXWATL-UHFFFAOYSA-N 1 1 294.402 3.502 20 30 CHEDMO COc1cccc2c(C[N@H+](C)[C@@H](C)CC#N)cccc12 ZINC000449023246 1124639680 /nfs/dbraw/zinc/63/96/80/1124639680.db2.gz OWRAGVQJWPXNON-ZDUSSCGKSA-N 1 1 268.360 3.582 20 30 CHEDMO COc1cccc2c(C[N@@H+](C)[C@@H](C)CC#N)cccc12 ZINC000449023246 1124639681 /nfs/dbraw/zinc/63/96/81/1124639681.db2.gz OWRAGVQJWPXNON-ZDUSSCGKSA-N 1 1 268.360 3.582 20 30 CHEDMO C/C(Cl)=C\C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000528428404 1124658915 /nfs/dbraw/zinc/65/89/15/1124658915.db2.gz FBZMCCVVNVQMDM-AWNIVKPZSA-N 1 1 272.779 3.790 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872258806 1124699215 /nfs/dbraw/zinc/69/92/15/1124699215.db2.gz BETFVXYTMSTRHF-IBGZPJMESA-N 1 1 283.415 3.592 20 30 CHEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CCCC(C)(C)C1 ZINC000872417843 1124714195 /nfs/dbraw/zinc/71/41/95/1124714195.db2.gz QXJXJKCBFIPQGC-SNVBAGLBSA-N 1 1 298.481 3.772 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000449389835 1124719318 /nfs/dbraw/zinc/71/93/18/1124719318.db2.gz UHDJRXTWELHLFK-QWQRMKEZSA-N 1 1 280.371 3.918 20 30 CHEDMO C[N@@H+](Cn1ccc(=S)c2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000872684788 1124725338 /nfs/dbraw/zinc/72/53/38/1124725338.db2.gz RVAOQXKHTODNPM-HIFRSBDPSA-N 1 1 297.427 3.952 20 30 CHEDMO C=CC[N@H+](Cc1ccnc(Cl)c1F)C(C)(C)C ZINC001139666600 1131297787 /nfs/dbraw/zinc/29/77/87/1131297787.db2.gz UPRIDEQOUDSYHD-UHFFFAOYSA-N 1 1 256.752 3.661 20 30 CHEDMO C=CC[N@@H+](Cc1ccnc(Cl)c1F)C(C)(C)C ZINC001139666600 1131297788 /nfs/dbraw/zinc/29/77/88/1131297788.db2.gz UPRIDEQOUDSYHD-UHFFFAOYSA-N 1 1 256.752 3.661 20 30 CHEDMO C=C(CC)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449735473 1124855039 /nfs/dbraw/zinc/85/50/39/1124855039.db2.gz QXTZIGKHCMWKCK-NVXWUHKLSA-N 1 1 264.457 3.585 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@@H]1N ZINC001246102448 1131321093 /nfs/dbraw/zinc/32/10/93/1131321093.db2.gz OOTLUZCXHHXHEM-OWCLPIDISA-N 1 1 254.462 3.985 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCCCC1 ZINC000876523384 1124956431 /nfs/dbraw/zinc/95/64/31/1124956431.db2.gz UKVOPNKRLCTDAU-UHFFFAOYSA-N 1 1 277.799 3.761 20 30 CHEDMO C#CC[N@H+](C[C@@H](C)CCC#N)[C@@H]1CCc2ccccc21 ZINC000876513650 1124957057 /nfs/dbraw/zinc/95/70/57/1124957057.db2.gz OQTGHFJIRWQVGY-MAUKXSAKSA-N 1 1 266.388 3.549 20 30 CHEDMO N#CC1(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000450271573 1124965951 /nfs/dbraw/zinc/96/59/51/1124965951.db2.gz RJENPSQSBAVMBW-UHFFFAOYSA-N 1 1 274.795 3.998 20 30 CHEDMO N#CC1(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000450271573 1124965954 /nfs/dbraw/zinc/96/59/54/1124965954.db2.gz RJENPSQSBAVMBW-UHFFFAOYSA-N 1 1 274.795 3.998 20 30 CHEDMO N#CC1(C[N@H+](Cc2ccco2)C2CCCC2)CCC1 ZINC000450271370 1124966372 /nfs/dbraw/zinc/96/63/72/1124966372.db2.gz QMQGYTKDYJQKRE-UHFFFAOYSA-N 1 1 258.365 3.718 20 30 CHEDMO N#CC1(C[N@@H+](Cc2ccco2)C2CCCC2)CCC1 ZINC000450271370 1124966378 /nfs/dbraw/zinc/96/63/78/1124966378.db2.gz QMQGYTKDYJQKRE-UHFFFAOYSA-N 1 1 258.365 3.718 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000876628320 1124966428 /nfs/dbraw/zinc/96/64/28/1124966428.db2.gz YZYIDOBEKPVEFK-KRWDZBQOSA-N 1 1 285.435 3.548 20 30 CHEDMO N#CC1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCC1 ZINC000450281204 1124968974 /nfs/dbraw/zinc/96/89/74/1124968974.db2.gz BBBGJEGBYHVRKJ-INIZCTEOSA-N 1 1 272.367 3.526 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000876682150 1124970896 /nfs/dbraw/zinc/97/08/96/1124970896.db2.gz FZZIJHIVSCTXGU-KRWDZBQOSA-N 1 1 291.398 3.723 20 30 CHEDMO CC[N@@H+](CC1(C#N)CCC1)[C@H](C)c1cccc(OC)c1 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263.381 3.789 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000348052270 1129275531 /nfs/dbraw/zinc/27/55/31/1129275531.db2.gz NRDVSKBJKXFKKK-CQSZACIVSA-N 1 1 265.422 3.786 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000734209985 1129298943 /nfs/dbraw/zinc/29/89/43/1129298943.db2.gz KHSNWNLXYKIYTA-OAHLLOKOSA-N 1 1 294.236 3.911 20 30 CHEDMO CCCCCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000766211083 1129327631 /nfs/dbraw/zinc/32/76/31/1129327631.db2.gz LPRIPAVUHFSUET-KRWDZBQOSA-N 1 1 277.408 3.736 20 30 CHEDMO CCCCCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000766211083 1129327635 /nfs/dbraw/zinc/32/76/35/1129327635.db2.gz LPRIPAVUHFSUET-KRWDZBQOSA-N 1 1 277.408 3.736 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735308199 1129338286 /nfs/dbraw/zinc/33/82/86/1129338286.db2.gz FGAUGSRCQABMKE-UHFFFAOYSA-N 1 1 278.783 3.639 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735308715 1129340244 /nfs/dbraw/zinc/34/02/44/1129340244.db2.gz QGVGZXSKMIJTNC-GFCCVEGCSA-N 1 1 280.799 3.863 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000091589581 1129365432 /nfs/dbraw/zinc/36/54/32/1129365432.db2.gz WBKMIGMZZHJBOI-AUUYWEPGSA-N 1 1 279.449 3.601 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000091984091 1129376042 /nfs/dbraw/zinc/37/60/42/1129376042.db2.gz CRAQMBQPELTRMR-HNNXBMFYSA-N 1 1 273.424 3.514 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000091984091 1129376045 /nfs/dbraw/zinc/37/60/45/1129376045.db2.gz CRAQMBQPELTRMR-HNNXBMFYSA-N 1 1 273.424 3.514 20 30 CHEDMO C=CC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1 ZINC000642099232 1129406389 /nfs/dbraw/zinc/40/63/89/1129406389.db2.gz CQKFNUHPHREPMY-UHFFFAOYSA-N 1 1 281.399 3.926 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000739887574 1129408184 /nfs/dbraw/zinc/40/81/84/1129408184.db2.gz URXIHXSCSNZAIW-UHFFFAOYSA-N 1 1 288.391 3.539 20 30 CHEDMO C=CCCCCC[N@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000739887574 1129408187 /nfs/dbraw/zinc/40/81/87/1129408187.db2.gz URXIHXSCSNZAIW-UHFFFAOYSA-N 1 1 288.391 3.539 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000739931149 1129409415 /nfs/dbraw/zinc/40/94/15/1129409415.db2.gz QUWYZPDCOSVZSK-MRXNPFEDSA-N 1 1 283.362 3.676 20 30 CHEDMO CCC(C)(C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093279393 1129420171 /nfs/dbraw/zinc/42/01/71/1129420171.db2.gz UHODIZNFJAEWSK-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740873949 1129421813 /nfs/dbraw/zinc/42/18/13/1129421813.db2.gz PUGRDPMLBAITPI-UHFFFAOYSA-N 1 1 287.407 3.738 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740873949 1129421815 /nfs/dbraw/zinc/42/18/15/1129421815.db2.gz PUGRDPMLBAITPI-UHFFFAOYSA-N 1 1 287.407 3.738 20 30 CHEDMO CCCCCCC[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000740875150 1129422213 /nfs/dbraw/zinc/42/22/13/1129422213.db2.gz HZFKIGYUXIUKRD-UHFFFAOYSA-N 1 1 288.435 3.974 20 30 CHEDMO CCCCCCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000740878535 1129422725 /nfs/dbraw/zinc/42/27/25/1129422725.db2.gz LGHJTVZLEYCQOK-GOSISDBHSA-N 1 1 296.499 3.534 20 30 CHEDMO CCCCCCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000740878535 1129422726 /nfs/dbraw/zinc/42/27/26/1129422726.db2.gz LGHJTVZLEYCQOK-GOSISDBHSA-N 1 1 296.499 3.534 20 30 CHEDMO CCCCCCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000740878535 1129422730 /nfs/dbraw/zinc/42/27/30/1129422730.db2.gz LGHJTVZLEYCQOK-GOSISDBHSA-N 1 1 296.499 3.534 20 30 CHEDMO CCCCCCC[N@H+](C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000740882196 1129422799 /nfs/dbraw/zinc/42/27/99/1129422799.db2.gz HIBAHMWRVYMRSW-HOTGVXAUSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000740882196 1129422801 /nfs/dbraw/zinc/42/28/01/1129422801.db2.gz HIBAHMWRVYMRSW-HOTGVXAUSA-N 1 1 254.462 3.761 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000740877221 1129422997 /nfs/dbraw/zinc/42/29/97/1129422997.db2.gz HBPUPMZSJORNEJ-MRXNPFEDSA-N 1 1 296.499 3.831 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC(C)(C)CC2)cc1 ZINC000093660285 1129426766 /nfs/dbraw/zinc/42/67/66/1129426766.db2.gz IEPHCTUBJFMRRM-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO C#CC[N@H+](CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000741754279 1129451505 /nfs/dbraw/zinc/45/15/05/1129451505.db2.gz MXQZXJOBWGGPMD-KRWDZBQOSA-N 1 1 266.388 3.549 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000741810247 1129453733 /nfs/dbraw/zinc/45/37/33/1129453733.db2.gz JKIMWGDCWYSBRF-HNNXBMFYSA-N 1 1 279.811 3.702 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000742383595 1129473226 /nfs/dbraw/zinc/47/32/26/1129473226.db2.gz RABDZJNRLQODKY-NHYWBVRUSA-N 1 1 284.334 3.704 20 30 CHEDMO CC(C)[C@@H](C#N)c1ccc(C2=CC[N@@H+](C)CC2)cc1 ZINC001241327485 1129516461 /nfs/dbraw/zinc/51/64/61/1129516461.db2.gz NBGMPSIQOVQWNU-QGZVFWFLSA-N 1 1 254.377 3.669 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(C)cc1 ZINC000743258199 1129516714 /nfs/dbraw/zinc/51/67/14/1129516714.db2.gz NAVXINBWPNLDHU-KRWDZBQOSA-N 1 1 287.428 3.778 20 30 CHEDMO CC(C)C#CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000822442087 1131380353 /nfs/dbraw/zinc/38/03/53/1131380353.db2.gz ZAISGKHICPYRTM-INIZCTEOSA-N 1 1 298.430 3.516 20 30 CHEDMO N#CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000743714610 1129535586 /nfs/dbraw/zinc/53/55/86/1129535586.db2.gz HMKHPLYGVSUXLK-UHFFFAOYSA-N 1 1 289.382 3.693 20 30 CHEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001258714556 1129538618 /nfs/dbraw/zinc/53/86/18/1129538618.db2.gz QFHGWHQCUVDXJW-HZPDHXFCSA-N 1 1 282.472 3.569 20 30 CHEDMO CCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001137583802 1131381157 /nfs/dbraw/zinc/38/11/57/1131381157.db2.gz SZTIWFJLSISFQF-BRWVUGGUSA-N 1 1 294.483 3.584 20 30 CHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796356206 1129547497 /nfs/dbraw/zinc/54/74/97/1129547497.db2.gz JBRLQTIREKUNOO-HXUWFJFHSA-N 1 1 293.410 3.636 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCOc1cccc(C#N)c1 ZINC000303669003 1129550621 /nfs/dbraw/zinc/55/06/21/1129550621.db2.gz FVDWBDPPYQJAFO-HFTRVMKXSA-N 1 1 284.403 3.590 20 30 CHEDMO C[C@H]([N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)(C)C ZINC000744129141 1129554469 /nfs/dbraw/zinc/55/44/69/1129554469.db2.gz BTPVAOHIYXKUBJ-AWEZNQCLSA-N 1 1 296.418 3.746 20 30 CHEDMO C#CC[N@@H+](Cn1cc(-c2ccccc2)cn1)C1CCCCC1 ZINC000744154058 1129556576 /nfs/dbraw/zinc/55/65/76/1129556576.db2.gz XFIOAFRKUWJGRR-UHFFFAOYSA-N 1 1 293.414 3.776 20 30 CHEDMO C#CC[N@H+](CCOc1ccccc1C(C)=O)C1CCCCC1 ZINC000744212573 1129559900 /nfs/dbraw/zinc/55/99/00/1129559900.db2.gz OPWWAMPRHXMEIY-UHFFFAOYSA-N 1 1 299.414 3.536 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3ncccc13)C2 ZINC001137624556 1131386633 /nfs/dbraw/zinc/38/66/33/1131386633.db2.gz RKKKMTBSJDQDJQ-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000746124667 1129627303 /nfs/dbraw/zinc/62/73/03/1129627303.db2.gz QTWIEAGHZGSWCQ-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO C[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000822570536 1131387000 /nfs/dbraw/zinc/38/70/00/1131387000.db2.gz LMALDPNBECUNFQ-ZDUSSCGKSA-N 1 1 283.202 3.574 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2cc(C)cnc2C#N)cc1 ZINC001212969050 1129637553 /nfs/dbraw/zinc/63/75/53/1129637553.db2.gz JOTBGPRVQBWXBW-UHFFFAOYSA-N 1 1 280.375 3.852 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2cc(F)cnc2C#N)cc1 ZINC001212969870 1129642621 /nfs/dbraw/zinc/64/26/21/1129642621.db2.gz GARLDGJAIBKJRY-UHFFFAOYSA-N 1 1 284.338 3.682 20 30 CHEDMO C#Cc1cccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000766444526 1129666993 /nfs/dbraw/zinc/66/69/93/1129666993.db2.gz CMZZNJOUAMRYFO-OXQOHEQNSA-N 1 1 290.410 3.600 20 30 CHEDMO C#Cc1cccc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000766447449 1129668150 /nfs/dbraw/zinc/66/81/50/1129668150.db2.gz QXXSQLXVJDXQCN-OXQOHEQNSA-N 1 1 290.410 3.915 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC001168968777 1129688199 /nfs/dbraw/zinc/68/81/99/1129688199.db2.gz NVOAUDLMCNNSDX-HNNXBMFYSA-N 1 1 294.236 3.992 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169022481 1129691076 /nfs/dbraw/zinc/69/10/76/1129691076.db2.gz CDQWTENFXAFQJF-IRXDYDNUSA-N 1 1 288.391 3.510 20 30 CHEDMO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1C#N ZINC001169071123 1129695624 /nfs/dbraw/zinc/69/56/24/1129695624.db2.gz WZJBRLTUEAXGQL-DLBZAZTESA-N 1 1 256.393 3.632 20 30 CHEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]1C#N ZINC001169071123 1129695626 /nfs/dbraw/zinc/69/56/26/1129695626.db2.gz WZJBRLTUEAXGQL-DLBZAZTESA-N 1 1 256.393 3.632 20 30 CHEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001169078161 1129697920 /nfs/dbraw/zinc/69/79/20/1129697920.db2.gz MHSXMQLVBWLOFH-ROUUACIJSA-N 1 1 270.420 3.879 20 30 CHEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001169084301 1129698626 /nfs/dbraw/zinc/69/86/26/1129698626.db2.gz JEWQIZFJBNZQGD-QZTJIDSGSA-N 1 1 270.420 3.879 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1CCc2cc(Br)ccc2C1 ZINC001169216715 1129709361 /nfs/dbraw/zinc/70/93/61/1129709361.db2.gz LODRQATXEKEKAO-LLVKDONJSA-N 1 1 280.209 3.772 20 30 CHEDMO CCN1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169255013 1129712881 /nfs/dbraw/zinc/71/28/81/1129712881.db2.gz LXFNAWNZCFICLP-UHFFFAOYSA-N 1 1 291.483 3.799 20 30 CHEDMO CCN1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169255013 1129712882 /nfs/dbraw/zinc/71/28/82/1129712882.db2.gz LXFNAWNZCFICLP-UHFFFAOYSA-N 1 1 291.483 3.799 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC001169331194 1129718012 /nfs/dbraw/zinc/71/80/12/1129718012.db2.gz HMXIMEPEOFUXIA-NWDGAFQWSA-N 1 1 260.219 3.796 20 30 CHEDMO C#CCCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000796456810 1129730128 /nfs/dbraw/zinc/73/01/28/1129730128.db2.gz CXMOXAPJYCVOEV-UHFFFAOYSA-N 1 1 259.780 3.843 20 30 CHEDMO CC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC001169496579 1129730627 /nfs/dbraw/zinc/73/06/27/1129730627.db2.gz UENIMKVXVUJRMW-DZGCQCFKSA-N 1 1 261.796 3.812 20 30 CHEDMO C#CCCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000766895492 1129768677 /nfs/dbraw/zinc/76/86/77/1129768677.db2.gz ODLZZVXAJSJGPL-UHFFFAOYSA-N 1 1 270.420 3.522 20 30 CHEDMO C#CCCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000766896286 1129769022 /nfs/dbraw/zinc/76/90/22/1129769022.db2.gz YSAGGSNEVIDSKW-CQSZACIVSA-N 1 1 270.401 3.847 20 30 CHEDMO C#CCCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000766897010 1129769037 /nfs/dbraw/zinc/76/90/37/1129769037.db2.gz ZBZYUIZOYHZXGP-UHFFFAOYSA-N 1 1 283.415 3.780 20 30 CHEDMO C#CCCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000766896448 1129769170 /nfs/dbraw/zinc/76/91/70/1129769170.db2.gz PAFBJKXNERHFKK-UHFFFAOYSA-N 1 1 255.283 3.551 20 30 CHEDMO C#CCCC[N@H+](CC)Cc1cccc(Br)c1 ZINC000766896618 1129769251 /nfs/dbraw/zinc/76/92/51/1129769251.db2.gz VHPKOFOMMNAFGC-UHFFFAOYSA-N 1 1 280.209 3.684 20 30 CHEDMO C#CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000766906635 1129770499 /nfs/dbraw/zinc/77/04/99/1129770499.db2.gz SRVLFIUKEWLXBR-OALUTQOASA-N 1 1 285.431 3.768 20 30 CHEDMO CCCCC[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000767906346 1129820947 /nfs/dbraw/zinc/82/09/47/1129820947.db2.gz MSXOIKXICARRNC-ROUUACIJSA-N 1 1 286.419 3.636 20 30 CHEDMO C#CC[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000381488371 1129840428 /nfs/dbraw/zinc/84/04/28/1129840428.db2.gz KVZUYFOTRRSYMD-ZDUSSCGKSA-N 1 1 254.160 3.667 20 30 CHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)Cc2ccccc21 ZINC000768196639 1129842193 /nfs/dbraw/zinc/84/21/93/1129842193.db2.gz SWZNNPCKKYTVLW-CQSZACIVSA-N 1 1 256.393 3.936 20 30 CHEDMO CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC(C)C ZINC000768480021 1129857321 /nfs/dbraw/zinc/85/73/21/1129857321.db2.gz WSTWVHYAFOFUAB-OAHLLOKOSA-N 1 1 274.408 3.845 20 30 CHEDMO C=CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C(C)C ZINC000768550330 1129864860 /nfs/dbraw/zinc/86/48/60/1129864860.db2.gz LGLHVTMBTXMWLW-UHFFFAOYSA-N 1 1 263.429 3.651 20 30 CHEDMO C[C@@H](C(=O)OCCCCC(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000768718340 1129869607 /nfs/dbraw/zinc/86/96/07/1129869607.db2.gz KMRMKLFCNOTQJN-ZNMIVQPWSA-N 1 1 294.439 3.511 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1 ZINC001137704476 1131404583 /nfs/dbraw/zinc/40/45/83/1131404583.db2.gz HOJVVZOZTPQWGQ-KBXCAEBGSA-N 1 1 284.403 3.721 20 30 CHEDMO COc1ccc(C[N@@H+](C)CCc2cccc(C)c2)c(C#N)c1 ZINC001137704737 1131404645 /nfs/dbraw/zinc/40/46/45/1131404645.db2.gz SFOZUNYPTYLJBS-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(COC)cc1 ZINC000769146405 1129892271 /nfs/dbraw/zinc/89/22/71/1129892271.db2.gz VSGRQZGMKSZSBP-UHFFFAOYSA-N 1 1 297.373 3.608 20 30 CHEDMO C#CC[N@H+](C/C=C/c1ccccc1OC)C1CCCC1 ZINC000769531096 1129915746 /nfs/dbraw/zinc/91/57/46/1129915746.db2.gz SFKWHBHKOOAJDO-CSKARUKUSA-N 1 1 269.388 3.586 20 30 CHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(N(C)CCC#N)cc1 ZINC000769536501 1129916525 /nfs/dbraw/zinc/91/65/25/1129916525.db2.gz AMBGMDYJXSHKHW-MRXNPFEDSA-N 1 1 287.451 3.904 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000769961157 1129931641 /nfs/dbraw/zinc/93/16/41/1129931641.db2.gz PBRYFILSVLIPNG-ZDUSSCGKSA-N 1 1 299.805 3.559 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000769962091 1129931809 /nfs/dbraw/zinc/93/18/09/1129931809.db2.gz BFQWJKCAALIYMC-CYBMUJFWSA-N 1 1 299.336 3.818 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC3CCCCCC3)CCO2)c1 ZINC000770386801 1129946452 /nfs/dbraw/zinc/94/64/52/1129946452.db2.gz VGJHJPCLZNROGO-IBGZPJMESA-N 1 1 298.430 3.902 20 30 CHEDMO CC[N@@H+](CCO[C@H](C)C#N)Cc1ccc2ccccc2c1 ZINC000801915752 1129958102 /nfs/dbraw/zinc/95/81/02/1129958102.db2.gz NTWGGSBZSWHBCP-OAHLLOKOSA-N 1 1 282.387 3.590 20 30 CHEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000801915692 1129958169 /nfs/dbraw/zinc/95/81/69/1129958169.db2.gz MDRHXUNHIUZNKL-KBPBESRZSA-N 1 1 286.375 3.744 20 30 CHEDMO C[C@H](C#N)OCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000801917245 1129958343 /nfs/dbraw/zinc/95/83/43/1129958343.db2.gz VXLUSNPGBIGKDM-OAHLLOKOSA-N 1 1 292.382 3.598 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000801917828 1129958810 /nfs/dbraw/zinc/95/88/10/1129958810.db2.gz RNDLLFYJXKGYTR-OLZOCXBDSA-N 1 1 292.810 3.794 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+](CCO[C@@H](C)C#N)CC1CCC1 ZINC000801922823 1129959418 /nfs/dbraw/zinc/95/94/18/1129959418.db2.gz POAWBMYLDLJVIA-JKSUJKDBSA-N 1 1 286.419 3.778 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000801930392 1129960627 /nfs/dbraw/zinc/96/06/27/1129960627.db2.gz OPTQHGQKPZCTSN-OLZOCXBDSA-N 1 1 292.810 3.794 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000801942347 1129962255 /nfs/dbraw/zinc/96/22/55/1129962255.db2.gz OUVMAUSELVNHOW-CVEARBPZSA-N 1 1 288.435 3.852 20 30 CHEDMO C#CCCCCCCSCCn1cc[nH+]c1C ZINC000901877768 1129963609 /nfs/dbraw/zinc/96/36/09/1129963609.db2.gz MBADDBJEJSVBBC-UHFFFAOYSA-N 1 1 250.411 3.508 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000772382478 1130020271 /nfs/dbraw/zinc/02/02/71/1130020271.db2.gz RQELPBBWAKVLGO-UHFFFAOYSA-N 1 1 286.419 3.573 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000772382478 1130020277 /nfs/dbraw/zinc/02/02/77/1130020277.db2.gz RQELPBBWAKVLGO-UHFFFAOYSA-N 1 1 286.419 3.573 20 30 CHEDMO CC[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1 ZINC000902728609 1130046132 /nfs/dbraw/zinc/04/61/32/1130046132.db2.gz XTMVDRLLJAGSPI-QGZVFWFLSA-N 1 1 299.462 3.908 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(C#N)c1 ZINC000902769270 1130056228 /nfs/dbraw/zinc/05/62/28/1130056228.db2.gz WTLOKSVXOTXPLE-OAHLLOKOSA-N 1 1 296.399 3.508 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(CC)ccc12 ZINC000785997311 1130073264 /nfs/dbraw/zinc/07/32/64/1130073264.db2.gz LDWHNAFZZLACDW-INIZCTEOSA-N 1 1 297.398 3.896 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000785997281 1130073343 /nfs/dbraw/zinc/07/33/43/1130073343.db2.gz KKCFLALMXPAXIE-WFASDCNBSA-N 1 1 283.774 3.553 20 30 CHEDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(C#N)ccn1 ZINC000903007184 1130098977 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C[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1OC(F)(F)F ZINC000903100029 1130112557 /nfs/dbraw/zinc/11/25/57/1130112557.db2.gz GSZNWTBJPTWUNH-JTQLQIEISA-N 1 1 286.297 3.786 20 30 CHEDMO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1F ZINC000903106603 1130113454 /nfs/dbraw/zinc/11/34/54/1130113454.db2.gz SGHMMTWLDKTICF-AWEZNQCLSA-N 1 1 264.319 3.555 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnn(-c2ccccc2)c1 ZINC000903108445 1130114550 /nfs/dbraw/zinc/11/45/50/1130114550.db2.gz RXWMLSKMLYVIBE-OAHLLOKOSA-N 1 1 294.402 3.607 20 30 CHEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCCC2)cnn1C(C)C ZINC000903109987 1130115202 /nfs/dbraw/zinc/11/52/02/1130115202.db2.gz XXEHJGFOTLHRSZ-CYBMUJFWSA-N 1 1 274.412 3.507 20 30 CHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001461929469 1130115806 /nfs/dbraw/zinc/11/58/06/1130115806.db2.gz WMDVXOYXVVVOBZ-WMZOPIPTSA-N 1 1 255.405 3.939 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccn(-c2ccccc2)n1 ZINC000746659742 1130136262 /nfs/dbraw/zinc/13/62/62/1130136262.db2.gz YOVGUCCCJQSUHV-UHFFFAOYSA-N 1 1 296.418 3.634 20 30 CHEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cncs2)c2ccccn21 ZINC000787171548 1130136323 /nfs/dbraw/zinc/13/63/23/1130136323.db2.gz BDIGSXMAMJCAMF-VOTSOKGWSA-N 1 1 297.383 3.810 20 30 CHEDMO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000746671686 1130144451 /nfs/dbraw/zinc/14/44/51/1130144451.db2.gz NPHVKBOPJUBIKA-AWEZNQCLSA-N 1 1 278.355 3.666 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C(C)(C)C1 ZINC000746677813 1130149192 /nfs/dbraw/zinc/14/91/92/1130149192.db2.gz FKZFGYPKUMVGDK-LBPRGKRZSA-N 1 1 292.810 3.863 20 30 CHEDMO C=CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000787406389 1130150114 /nfs/dbraw/zinc/15/01/14/1130150114.db2.gz JVNMSKMBFHNIGT-GXDHUFHOSA-N 1 1 274.364 3.895 20 30 CHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCCC(C)C)C1 ZINC001170090816 1130214393 /nfs/dbraw/zinc/21/43/93/1130214393.db2.gz QBUGCHFKTIWQPL-CVEARBPZSA-N 1 1 296.455 3.578 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C)c(Cl)n1 ZINC001170094542 1130223955 /nfs/dbraw/zinc/22/39/55/1130223955.db2.gz IWQDSLRLSXFRKQ-UHFFFAOYSA-N 1 1 284.790 3.679 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C)c(Cl)n1 ZINC001170094542 1130223958 /nfs/dbraw/zinc/22/39/58/1130223958.db2.gz IWQDSLRLSXFRKQ-UHFFFAOYSA-N 1 1 284.790 3.679 20 30 CHEDMO C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254669573 1130285661 /nfs/dbraw/zinc/28/56/61/1130285661.db2.gz SWWJZMFLZLJRQB-UKRRQHHQSA-N 1 1 262.784 3.507 20 30 CHEDMO N#Cc1c(F)cccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386941 1130286205 /nfs/dbraw/zinc/28/62/05/1130286205.db2.gz JMERKINTYJRQJC-UHFFFAOYSA-N 1 1 292.357 3.987 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000826945682 1130316861 /nfs/dbraw/zinc/31/68/61/1130316861.db2.gz ALWWKYYOJJPMCE-QGZVFWFLSA-N 1 1 297.446 3.825 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CCOC)C2CCCC2)cc1 ZINC000678155616 1130362608 /nfs/dbraw/zinc/36/26/08/1130362608.db2.gz YILYDHJDKOAGNT-UHFFFAOYSA-N 1 1 289.419 3.642 20 30 CHEDMO C#CC[N@H+]([C@@H]1CC[C@H](C)C1)[C@@H]1CCc2ccccc21 ZINC001170153904 1130366000 /nfs/dbraw/zinc/36/60/00/1130366000.db2.gz TWEIAVNIWHPYSZ-YXJHDRRASA-N 1 1 253.389 3.798 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000678195693 1130368840 /nfs/dbraw/zinc/36/88/40/1130368840.db2.gz GWXPORGPYUGINF-UHFFFAOYSA-N 1 1 295.382 3.646 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000678195693 1130368845 /nfs/dbraw/zinc/36/88/45/1130368845.db2.gz GWXPORGPYUGINF-UHFFFAOYSA-N 1 1 295.382 3.646 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000791568635 1130382524 /nfs/dbraw/zinc/38/25/24/1130382524.db2.gz PQRDKYFRLHOLLC-QGZVFWFLSA-N 1 1 299.414 3.551 20 30 CHEDMO C=CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167717 1130434997 /nfs/dbraw/zinc/43/49/97/1130434997.db2.gz OMPOBUKTNGPMKS-UHFFFAOYSA-N 1 1 269.747 3.583 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000678715380 1130447343 /nfs/dbraw/zinc/44/73/43/1130447343.db2.gz PFFAEGGOUYQHAC-AWEZNQCLSA-N 1 1 286.419 3.748 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000678714880 1130447523 /nfs/dbraw/zinc/44/75/23/1130447523.db2.gz WEUBQTUPARJTHU-CQSZACIVSA-N 1 1 277.408 3.880 20 30 CHEDMO CC(C)c1cccc(NCc2ccc(C#N)s2)[nH+]1 ZINC001170200082 1130462105 /nfs/dbraw/zinc/46/21/05/1130462105.db2.gz VLIICWBZPOMTEL-UHFFFAOYSA-N 1 1 257.362 3.750 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCO[C@H](CC)C1 ZINC001170227077 1130468520 /nfs/dbraw/zinc/46/85/20/1130468520.db2.gz MDRXGTLCMFMFDK-YQVWRLOYSA-N 1 1 283.415 3.567 20 30 CHEDMO C=CCCCNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001170298881 1130476380 /nfs/dbraw/zinc/47/63/80/1130476380.db2.gz UFYGJESEEXKGME-UHFFFAOYSA-N 1 1 255.365 3.820 20 30 CHEDMO CO[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378694 1130489062 /nfs/dbraw/zinc/48/90/62/1130489062.db2.gz IINDPOISWKCJBX-XBMUEBEBSA-N 1 1 298.430 3.501 20 30 CHEDMO COC[C@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378994 1130489708 /nfs/dbraw/zinc/48/97/08/1130489708.db2.gz OPNOHTCDRXYGHY-JLAWEPINSA-N 1 1 298.430 3.501 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001170382792 1130490868 /nfs/dbraw/zinc/49/08/68/1130490868.db2.gz CZAPJBFMXHUHHE-HPNWABTKSA-N 1 1 298.405 3.680 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001255162982 1130528806 /nfs/dbraw/zinc/52/88/06/1130528806.db2.gz AMDIAZQRQAIUJK-XHDPSFHLSA-N 1 1 264.319 3.624 20 30 CHEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001255166641 1130539636 /nfs/dbraw/zinc/53/96/36/1130539636.db2.gz NMLKOGDKLYTOFR-CQSZACIVSA-N 1 1 292.810 3.875 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2cccc(C(F)(F)F)c2)CC1 ZINC000758095372 1130596747 /nfs/dbraw/zinc/59/67/47/1130596747.db2.gz XDOFBYOCNLLZOH-UHFFFAOYSA-N 1 1 285.313 3.589 20 30 CHEDMO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N)cc1C ZINC000758109049 1130598216 /nfs/dbraw/zinc/59/82/16/1130598216.db2.gz YACDWKGGCDLOPL-UHFFFAOYSA-N 1 1 290.370 3.962 20 30 CHEDMO C#CC[N@@H+](Cc1ccnc(Cl)c1Cl)C1CCCC1 ZINC000811464772 1130612325 /nfs/dbraw/zinc/61/23/25/1130612325.db2.gz BUSMSBRAFOTVKZ-UHFFFAOYSA-N 1 1 283.202 3.766 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(Cl)c1Cl)C1CCCC1 ZINC000811464772 1130612328 /nfs/dbraw/zinc/61/23/28/1130612328.db2.gz BUSMSBRAFOTVKZ-UHFFFAOYSA-N 1 1 283.202 3.766 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000811516650 1130614982 /nfs/dbraw/zinc/61/49/82/1130614982.db2.gz QRUWFFZOLLGVFN-GOSISDBHSA-N 1 1 298.817 3.870 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)C(C)(C)C ZINC000811507668 1130618337 /nfs/dbraw/zinc/61/83/37/1130618337.db2.gz KSWCVTXEXMUAPX-SNVBAGLBSA-N 1 1 271.191 3.526 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NOC/C=C\Cl ZINC000811668891 1130633563 /nfs/dbraw/zinc/63/35/63/1130633563.db2.gz VETBARARMWOCEZ-DAZGDNQKSA-N 1 1 292.810 3.654 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NOC/C=C/Cl ZINC000811668892 1130634138 /nfs/dbraw/zinc/63/41/38/1130634138.db2.gz VETBARARMWOCEZ-FERLRNGMSA-N 1 1 292.810 3.654 20 30 CHEDMO C=C[C@@H](CCCC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234422317 1130642493 /nfs/dbraw/zinc/64/24/93/1130642493.db2.gz HVZJKXOMXCATTD-HNNXBMFYSA-N 1 1 259.393 3.798 20 30 CHEDMO C=C[C@@H](Oc1cccc2c1CC[N@H+](C)C2)c1ccccc1 ZINC001234425165 1130642957 /nfs/dbraw/zinc/64/29/57/1130642957.db2.gz VTMIAAZJNMJOJW-GOSISDBHSA-N 1 1 279.383 3.981 20 30 CHEDMO C[C@@H](Oc1cccc2c1CC[N@@H+](C)C2)c1ccccc1C#N ZINC001234425815 1130643906 /nfs/dbraw/zinc/64/39/06/1130643906.db2.gz YPLVDZNZNPEJSZ-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000796641771 1130675687 /nfs/dbraw/zinc/67/56/87/1130675687.db2.gz ZZNFOUAQTDKWJN-GOSISDBHSA-N 1 1 299.801 3.509 20 30 CHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NOC1CCC1 ZINC000812237300 1130677385 /nfs/dbraw/zinc/67/73/85/1130677385.db2.gz SWMJFSSTTLPTRL-UHFFFAOYSA-N 1 1 274.408 3.700 20 30 CHEDMO C=CC[N@H+](CCOc1ccccc1C(F)(F)F)C(C)C ZINC000747811604 1130709032 /nfs/dbraw/zinc/70/90/32/1130709032.db2.gz JJASDGMOVHVREI-UHFFFAOYSA-N 1 1 287.325 3.981 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1cccc(C)c1)c1ccc(F)cc1 ZINC000812793369 1130717273 /nfs/dbraw/zinc/71/72/73/1130717273.db2.gz QYBMCCWXZRBMRA-QGZVFWFLSA-N 1 1 253.320 3.598 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC000812793686 1130717337 /nfs/dbraw/zinc/71/73/37/1130717337.db2.gz AJPABKFMBFEGRT-KRWDZBQOSA-N 1 1 271.310 3.737 20 30 CHEDMO C#C[C@H]([NH2+]Cc1cc(C)c(OC)c(C)c1)c1ccc(F)cc1 ZINC000812793392 1130717536 /nfs/dbraw/zinc/71/75/36/1130717536.db2.gz RUTKUSKVRKUQFJ-SFHVURJKSA-N 1 1 297.373 3.915 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(C)cc1)c1ccc(F)cc1 ZINC000812793468 1130717760 /nfs/dbraw/zinc/71/77/60/1130717760.db2.gz VNIYBZKOAVQKCS-KRWDZBQOSA-N 1 1 253.320 3.598 20 30 CHEDMO CCCCCCCCCCCN1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235257903 1130730264 /nfs/dbraw/zinc/73/02/64/1130730264.db2.gz JSRCTQZUXNBOIS-IAGOWNOFSA-N 1 1 266.473 3.811 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)cnc1F)C1CCCCC1 ZINC001235343935 1130735268 /nfs/dbraw/zinc/73/52/68/1130735268.db2.gz RHNCKSKMAOQRHZ-UHFFFAOYSA-N 1 1 262.372 3.850 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2CC#N)CCC1(F)F ZINC001235512481 1130750201 /nfs/dbraw/zinc/75/02/01/1130750201.db2.gz REOYEHKUZLOTJH-CYBMUJFWSA-N 1 1 278.346 3.620 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2CC#N)Cc2ccccc21 ZINC001235512074 1130750213 /nfs/dbraw/zinc/75/02/13/1130750213.db2.gz PAHRCUWGWIYFAH-HNNXBMFYSA-N 1 1 276.383 3.872 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2CC#N)cc1 ZINC001235518420 1130750760 /nfs/dbraw/zinc/75/07/60/1130750760.db2.gz OCIDWCLOIOJTJC-UHFFFAOYSA-N 1 1 264.372 3.693 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1c(C)ncn1C ZINC001235543061 1130754760 /nfs/dbraw/zinc/75/47/60/1130754760.db2.gz LGKUQUWEGSLYIK-UHFFFAOYSA-N 1 1 251.418 3.521 20 30 CHEDMO C[C@@]1(F)CCC[N@H+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235650391 1130762506 /nfs/dbraw/zinc/76/25/06/1130762506.db2.gz FIEMLCQQDMWTAE-OAHLLOKOSA-N 1 1 282.309 3.551 20 30 CHEDMO C[C@@]1(F)CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235650391 1130762510 /nfs/dbraw/zinc/76/25/10/1130762510.db2.gz FIEMLCQQDMWTAE-OAHLLOKOSA-N 1 1 282.309 3.551 20 30 CHEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001235658538 1130763006 /nfs/dbraw/zinc/76/30/06/1130763006.db2.gz OJCKEEYNPRBUOB-SUMWQHHRSA-N 1 1 290.357 3.991 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cccc(F)c1N ZINC001235662072 1130762946 /nfs/dbraw/zinc/76/29/46/1130762946.db2.gz CVFCBGKDGMGRCI-UHFFFAOYSA-N 1 1 252.377 3.810 20 30 CHEDMO CCCCCCCCCCN1CCCC2(C[NH2+]C2)C1 ZINC001235711649 1130771773 /nfs/dbraw/zinc/77/17/73/1130771773.db2.gz SOOWFGLPNJRLRU-UHFFFAOYSA-N 1 1 266.473 3.813 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1ccnc(OC)c1Cl ZINC001235840090 1130787659 /nfs/dbraw/zinc/78/76/59/1130787659.db2.gz SSSDFNYODGDRGB-UHFFFAOYSA-N 1 1 268.788 3.532 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccnc(OC)c1Cl ZINC001235840090 1130787662 /nfs/dbraw/zinc/78/76/62/1130787662.db2.gz SSSDFNYODGDRGB-UHFFFAOYSA-N 1 1 268.788 3.532 20 30 CHEDMO CC(=[NH+]Nc1ccc(F)cc1)c1ccc(N)cc1Cl ZINC000782900285 1130791249 /nfs/dbraw/zinc/79/12/49/1130791249.db2.gz YPIOWCLCLWAAAW-UHFFFAOYSA-N 1 1 277.730 3.897 20 30 CHEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C2CCCC2)o1 ZINC000783294437 1130813155 /nfs/dbraw/zinc/81/31/55/1130813155.db2.gz QSEWEJWXKFQGNM-GOSISDBHSA-N 1 1 295.386 3.876 20 30 CHEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC001134056923 1130815516 /nfs/dbraw/zinc/81/55/16/1130815516.db2.gz WBLHGOAZIXXCLD-KRWDZBQOSA-N 1 1 296.499 3.926 20 30 CHEDMO CCCCCCCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000814161323 1130835965 /nfs/dbraw/zinc/83/59/65/1130835965.db2.gz MYORGDOUYUGVRE-MRXNPFEDSA-N 1 1 294.483 3.680 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000784123841 1130880869 /nfs/dbraw/zinc/88/08/69/1130880869.db2.gz GOBCHHSCWQBDRR-HNNXBMFYSA-N 1 1 276.383 3.872 20 30 CHEDMO C=CCCCCCCC[N@H+](C)[C@@H]1CCCC[C@H]1N ZINC001236210463 1130887768 /nfs/dbraw/zinc/88/77/68/1130887768.db2.gz CIBJHUCXKBHYCT-HZPDHXFCSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CCCCCCCCN(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210463 1130887773 /nfs/dbraw/zinc/88/77/73/1130887773.db2.gz CIBJHUCXKBHYCT-HZPDHXFCSA-N 1 1 252.446 3.715 20 30 CHEDMO C=CC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482125 1130905674 /nfs/dbraw/zinc/90/56/74/1130905674.db2.gz UVTSDAPFUPLAEJ-LBPRGKRZSA-N 1 1 255.283 3.681 20 30 CHEDMO COc1cccc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)c1 ZINC000814778376 1130912581 /nfs/dbraw/zinc/91/25/81/1130912581.db2.gz BYGMRPRCPPSJGN-UHFFFAOYSA-N 1 1 289.766 3.767 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(N)cccc3C2)CC1 ZINC001236356547 1130917988 /nfs/dbraw/zinc/91/79/88/1130917988.db2.gz QMHBZMHPEKTIBI-MRXNPFEDSA-N 1 1 282.431 3.930 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000796696418 1130923986 /nfs/dbraw/zinc/92/39/86/1130923986.db2.gz RMXCAASBWWFVLG-MRXNPFEDSA-N 1 1 284.334 3.644 20 30 CHEDMO C=CCC[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000796703160 1130925030 /nfs/dbraw/zinc/92/50/30/1130925030.db2.gz SNYMBTHEZUTSII-JKSUJKDBSA-N 1 1 276.424 3.751 20 30 CHEDMO CC(=[NH+]Nc1ccc(F)cc1C)c1cc(F)c(N)c(F)c1 ZINC000814885018 1130930299 /nfs/dbraw/zinc/93/02/99/1130930299.db2.gz JDJUMNNPOPCBFP-UHFFFAOYSA-N 1 1 293.292 3.831 20 30 CHEDMO CCOc1ccc(N[NH+]=C(C)c2cc(N)ccc2F)cc1 ZINC000814984987 1130948697 /nfs/dbraw/zinc/94/86/97/1130948697.db2.gz NZUZLDFEPVFQIN-UHFFFAOYSA-N 1 1 287.338 3.643 20 30 CHEDMO CCOc1ccc(N[NH+]=C(C)c2ccccc2N(C)C)cc1 ZINC000814985272 1130948783 /nfs/dbraw/zinc/94/87/83/1130948783.db2.gz ZKVISDXMADJHAL-UHFFFAOYSA-N 1 1 297.402 3.987 20 30 CHEDMO Cc1ccc(C2=CC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000815009699 1130950082 /nfs/dbraw/zinc/95/00/82/1130950082.db2.gz AXBFUEFKDAXSOR-YJBOKZPZSA-N 1 1 266.388 3.776 20 30 CHEDMO C#CCOc1ccccc1CNc1cccc(C2CC2)[nH+]1 ZINC000815144047 1130965612 /nfs/dbraw/zinc/96/56/12/1130965612.db2.gz RYTREUBQYNCDEW-UHFFFAOYSA-N 1 1 278.355 3.583 20 30 CHEDMO C#CCOc1ccc(CNc2cccc(C3CC3)[nH+]2)cc1 ZINC000815143007 1130966325 /nfs/dbraw/zinc/96/63/25/1130966325.db2.gz CEEPRWVBFZIEKG-UHFFFAOYSA-N 1 1 278.355 3.583 20 30 CHEDMO C=CCCCCCCCCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001236575416 1130978009 /nfs/dbraw/zinc/97/80/09/1130978009.db2.gz MICYYMNMOKWBAO-HZPDHXFCSA-N 1 1 252.446 3.585 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(O)cc1OC(F)(F)F ZINC001236732089 1131000745 /nfs/dbraw/zinc/00/07/45/1131000745.db2.gz ZIZUNJQVNRUBBU-UHFFFAOYSA-N 1 1 289.297 3.689 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236756703 1131003994 /nfs/dbraw/zinc/00/39/94/1131003994.db2.gz OZZQZWBRQTVQDS-UHFFFAOYSA-N 1 1 295.423 3.812 20 30 CHEDMO CCc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001236788398 1131006396 /nfs/dbraw/zinc/00/63/96/1131006396.db2.gz JYYDAFPHIWDJEN-UHFFFAOYSA-N 1 1 272.392 3.613 20 30 CHEDMO CCCCC[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236853622 1131022763 /nfs/dbraw/zinc/02/27/63/1131022763.db2.gz BHAVLUFATYACPS-UHFFFAOYSA-N 1 1 295.224 3.943 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(F)c2ccoc21 ZINC001236900477 1131029663 /nfs/dbraw/zinc/02/96/63/1131029663.db2.gz ABTYLEOYMGGTDR-UHFFFAOYSA-N 1 1 260.312 3.698 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(F)c2ccoc21 ZINC001236900477 1131029666 /nfs/dbraw/zinc/02/96/66/1131029666.db2.gz ABTYLEOYMGGTDR-UHFFFAOYSA-N 1 1 260.312 3.698 20 30 CHEDMO C=CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1CN ZINC001237020800 1131037327 /nfs/dbraw/zinc/03/73/27/1131037327.db2.gz YAWWLRDSLFXELR-SFHVURJKSA-N 1 1 272.436 3.509 20 30 CHEDMO C=CCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1CN ZINC001237020800 1131037330 /nfs/dbraw/zinc/03/73/30/1131037330.db2.gz YAWWLRDSLFXELR-SFHVURJKSA-N 1 1 272.436 3.509 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(C(C)C)cc1O ZINC001237052520 1131044239 /nfs/dbraw/zinc/04/42/39/1131044239.db2.gz BGRFRGOBIQBZTG-UHFFFAOYSA-N 1 1 260.381 3.641 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237110089 1131053430 /nfs/dbraw/zinc/05/34/30/1131053430.db2.gz FMQFZCUVTBBDQB-OAHLLOKOSA-N 1 1 253.389 3.799 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC001237235216 1131072426 /nfs/dbraw/zinc/07/24/26/1131072426.db2.gz NEHJMQCFFYCDSN-GOEBONIOSA-N 1 1 276.811 3.890 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(Cl)nc1OC ZINC001237253608 1131075455 /nfs/dbraw/zinc/07/54/55/1131075455.db2.gz SIAQBGWKBKJGAC-UHFFFAOYSA-N 1 1 268.788 3.532 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194580 1131076388 /nfs/dbraw/zinc/07/63/88/1131076388.db2.gz GYSWQOHBTIGZSY-HNNXBMFYSA-N 1 1 271.408 3.591 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C(C)(C)C)C1 ZINC001237399075 1131093538 /nfs/dbraw/zinc/09/35/38/1131093538.db2.gz MCUYQEBECCHLIK-HNNXBMFYSA-N 1 1 298.430 3.516 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC001237432118 1131096018 /nfs/dbraw/zinc/09/60/18/1131096018.db2.gz OGNWQBFLVHYVFW-UHFFFAOYSA-N 1 1 285.366 3.890 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC001237432118 1131096023 /nfs/dbraw/zinc/09/60/23/1131096023.db2.gz OGNWQBFLVHYVFW-UHFFFAOYSA-N 1 1 285.366 3.890 20 30 CHEDMO CCCC[N@@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC001237461860 1131101656 /nfs/dbraw/zinc/10/16/56/1131101656.db2.gz DUUUBKYRNLYQFY-UHFFFAOYSA-N 1 1 279.387 3.756 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c2cc(C#N)ccc21 ZINC001237473714 1131102631 /nfs/dbraw/zinc/10/26/31/1131102631.db2.gz RVIQIPYOKJKOKT-MAUKXSAKSA-N 1 1 293.414 3.814 20 30 CHEDMO Cn1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237468456 1131102670 /nfs/dbraw/zinc/10/26/70/1131102670.db2.gz NAAQYJRNMFZMLS-HZPDHXFCSA-N 1 1 293.414 3.672 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467479 1131102778 /nfs/dbraw/zinc/10/27/78/1131102778.db2.gz VUFNCHLOPOMADK-OKILXGFUSA-N 1 1 281.403 3.813 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473546 1131103188 /nfs/dbraw/zinc/10/31/88/1131103188.db2.gz NIHWNBFGKGTRJD-CQSZACIVSA-N 1 1 281.403 3.672 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(CC(=O)OCC)cc1 ZINC001237485453 1131103808 /nfs/dbraw/zinc/10/38/08/1131103808.db2.gz NLAVGJLYFNIFEZ-UHFFFAOYSA-N 1 1 289.419 3.580 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473736 1131104097 /nfs/dbraw/zinc/10/40/97/1131104097.db2.gz SRKQFBGVRCMRPQ-MRXNPFEDSA-N 1 1 281.403 3.814 20 30 CHEDMO N#C[C@@H]1CC[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000799720445 1131104599 /nfs/dbraw/zinc/10/45/99/1131104599.db2.gz IKBJHMKZSVCKPQ-GDBMZVCRSA-N 1 1 269.392 3.781 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC001170836347 1131113851 /nfs/dbraw/zinc/11/38/51/1131113851.db2.gz QQGSCSHFIAVQCL-QZTJIDSGSA-N 1 1 298.430 3.565 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816621239 1131117038 /nfs/dbraw/zinc/11/70/38/1131117038.db2.gz DEKAOZMTEIMMPU-SFHVURJKSA-N 1 1 276.383 3.646 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816621239 1131117040 /nfs/dbraw/zinc/11/70/40/1131117040.db2.gz DEKAOZMTEIMMPU-SFHVURJKSA-N 1 1 276.383 3.646 20 30 CHEDMO C[N@H+](Cc1ccccc1N1CCCCC1)CC(C)(C)C#N ZINC000816632842 1131121799 /nfs/dbraw/zinc/12/17/99/1131121799.db2.gz 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WKCDAJJHWUFEEA-HNNXBMFYSA-N 1 1 289.382 3.677 20 30 CHEDMO CCCCOc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001138956782 1131565461 /nfs/dbraw/zinc/56/54/61/1131565461.db2.gz RQZOLKDDMVVCAE-MRXNPFEDSA-N 1 1 286.419 3.991 20 30 CHEDMO N#CC1(CC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)CCCCC1 ZINC000844444822 1131566656 /nfs/dbraw/zinc/56/66/56/1131566656.db2.gz UVYRPKGJUDKCNL-OAHLLOKOSA-N 1 1 282.378 3.972 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC001138984295 1131568395 /nfs/dbraw/zinc/56/83/95/1131568395.db2.gz KWJQKLYMQRIMBC-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC001138984295 1131568400 /nfs/dbraw/zinc/56/84/00/1131568400.db2.gz KWJQKLYMQRIMBC-UHFFFAOYSA-N 1 1 274.408 3.990 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC001138986732 1131569004 /nfs/dbraw/zinc/56/90/04/1131569004.db2.gz WXOZITVHDJLUNQ-UHFFFAOYSA-N 1 1 260.381 3.599 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC001138986732 1131569007 /nfs/dbraw/zinc/56/90/07/1131569007.db2.gz WXOZITVHDJLUNQ-UHFFFAOYSA-N 1 1 260.381 3.599 20 30 CHEDMO CCCOc1ccccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139001980 1131570861 /nfs/dbraw/zinc/57/08/61/1131570861.db2.gz OQHMNOITNHYENI-HNNXBMFYSA-N 1 1 272.392 3.601 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171130557 1131575809 /nfs/dbraw/zinc/57/58/09/1131575809.db2.gz RLXZNPLFNRWMMV-MRXNPFEDSA-N 1 1 276.811 3.823 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132313 1131576583 /nfs/dbraw/zinc/57/65/83/1131576583.db2.gz BKLUPRVZFBYCKZ-SUMWQHHRSA-N 1 1 273.807 3.543 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(Br)c1 ZINC001139178316 1131591242 /nfs/dbraw/zinc/59/12/42/1131591242.db2.gz UNBHDTHUVHMEGS-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(ccn2C)c1 ZINC001139194663 1131594183 /nfs/dbraw/zinc/59/41/83/1131594183.db2.gz UHZQHSOURUKDEC-UHFFFAOYSA-N 1 1 269.392 3.694 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(ccn2C)c1 ZINC001139194663 1131594187 /nfs/dbraw/zinc/59/41/87/1131594187.db2.gz UHZQHSOURUKDEC-UHFFFAOYSA-N 1 1 269.392 3.694 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2ccn(C)c2c1 ZINC001139204269 1131595775 /nfs/dbraw/zinc/59/57/75/1131595775.db2.gz JEWGUEYEGQGCQW-UHFFFAOYSA-N 1 1 269.392 3.694 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2ccn(C)c2c1 ZINC001139204269 1131595778 /nfs/dbraw/zinc/59/57/78/1131595778.db2.gz JEWGUEYEGQGCQW-UHFFFAOYSA-N 1 1 269.392 3.694 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc2cc(O)ccc2c1 ZINC001139339377 1131602348 /nfs/dbraw/zinc/60/23/48/1131602348.db2.gz VPDGZGNZHCBDOL-UHFFFAOYSA-N 1 1 268.360 3.671 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc2cc(O)ccc2c1 ZINC001139339377 1131602351 /nfs/dbraw/zinc/60/23/51/1131602351.db2.gz VPDGZGNZHCBDOL-UHFFFAOYSA-N 1 1 268.360 3.671 20 30 CHEDMO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@@H](F)C3)cc2)c1 ZINC001139407137 1131606933 /nfs/dbraw/zinc/60/69/33/1131606933.db2.gz QZFTWMQNAQYJFG-QGZVFWFLSA-N 1 1 295.361 3.554 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNCC[C@H]1C ZINC001246550934 1131607188 /nfs/dbraw/zinc/60/71/88/1131607188.db2.gz LCEIBZNNYFTHJM-HZPDHXFCSA-N 1 1 254.462 3.809 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCC[C@@H]1C ZINC001139527064 1131613388 /nfs/dbraw/zinc/61/33/88/1131613388.db2.gz VDJGHWKQXLJFPD-STQMWFEESA-N 1 1 260.356 3.565 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(Br)c1F ZINC001139534949 1131614570 /nfs/dbraw/zinc/61/45/70/1131614570.db2.gz ZEVKMBNJYMRNKQ-UHFFFAOYSA-N 1 1 286.188 3.986 20 30 CHEDMO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001139597140 1131619831 /nfs/dbraw/zinc/61/98/31/1131619831.db2.gz NSLMDRIOOPWYMV-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001139597140 1131619834 /nfs/dbraw/zinc/61/98/34/1131619834.db2.gz NSLMDRIOOPWYMV-ZDUSSCGKSA-N 1 1 292.810 3.864 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001171171197 1131622974 /nfs/dbraw/zinc/62/29/74/1131622974.db2.gz VTMWOXJUCGUWAQ-OTWHNJEPSA-N 1 1 287.447 3.972 20 30 CHEDMO C=CC[N@H+](Cc1cnccc1OCC)C1CCCCC1 ZINC001139632214 1131625142 /nfs/dbraw/zinc/62/51/42/1131625142.db2.gz MIMRKTYFVIMCRL-UHFFFAOYSA-N 1 1 274.408 3.801 20 30 CHEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1F ZINC001139649648 1131626664 /nfs/dbraw/zinc/62/66/64/1131626664.db2.gz VUAQYDMNZGHAOI-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1F ZINC001139649648 1131626668 /nfs/dbraw/zinc/62/66/68/1131626668.db2.gz VUAQYDMNZGHAOI-UHFFFAOYSA-N 1 1 298.361 3.728 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CCC12CCCC2 ZINC001139686710 1131629318 /nfs/dbraw/zinc/62/93/18/1131629318.db2.gz CJGMTOLCAJNAKW-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC12CCCC2 ZINC001139686710 1131629322 /nfs/dbraw/zinc/62/93/22/1131629322.db2.gz CJGMTOLCAJNAKW-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC1(F)F ZINC001139701870 1131629885 /nfs/dbraw/zinc/62/98/85/1131629885.db2.gz RCEGIYCOUXCENT-LLVKDONJSA-N 1 1 289.329 3.517 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@H]1C ZINC001139703829 1131630188 /nfs/dbraw/zinc/63/01/88/1131630188.db2.gz UYHJDDZWDVZDNJ-OLZOCXBDSA-N 1 1 267.376 3.660 20 30 CHEDMO C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701118 1131630474 /nfs/dbraw/zinc/63/04/74/1131630474.db2.gz AYRVQZJZLUXUCD-KRWDZBQOSA-N 1 1 285.366 3.754 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1ccc(OC)cn1 ZINC001144423328 1131631831 /nfs/dbraw/zinc/63/18/31/1131631831.db2.gz GABGLPDYXZVCIQ-UHFFFAOYSA-N 1 1 264.413 3.883 20 30 CHEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1 ZINC001139726624 1131631897 /nfs/dbraw/zinc/63/18/97/1131631897.db2.gz WNAGZJCRIRFRLH-UHFFFAOYSA-N 1 1 294.398 3.550 20 30 CHEDMO Cc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1C#N ZINC001139724636 1131632747 /nfs/dbraw/zinc/63/27/47/1131632747.db2.gz YGIOIHCFULUOGH-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO Cc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1C#N ZINC001139724636 1131632751 /nfs/dbraw/zinc/63/27/51/1131632751.db2.gz YGIOIHCFULUOGH-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO C#CCC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000792408872 1131635192 /nfs/dbraw/zinc/63/51/92/1131635192.db2.gz CWICKZZLFLUMMA-UHFFFAOYSA-N 1 1 286.600 3.558 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC001139766229 1131635568 /nfs/dbraw/zinc/63/55/68/1131635568.db2.gz MXRPUGGHJOXRFP-QGZVFWFLSA-N 1 1 285.366 3.545 20 30 CHEDMO C=CCn1cc(C[N@H+](CC)Cc2cccc(Cl)c2)cn1 ZINC001139771286 1131636229 /nfs/dbraw/zinc/63/62/29/1131636229.db2.gz VXUDPQGPTMAVFN-UHFFFAOYSA-N 1 1 289.810 3.745 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001246568236 1131636586 /nfs/dbraw/zinc/63/65/86/1131636586.db2.gz KSSLBYRVKBYQGP-ARFHVFGLSA-N 1 1 272.452 3.887 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(O)cccc1Br ZINC001140103003 1131663875 /nfs/dbraw/zinc/66/38/75/1131663875.db2.gz DLYWLRMEDKIYIO-UHFFFAOYSA-N 1 1 298.224 3.943 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1C ZINC001140110501 1131664118 /nfs/dbraw/zinc/66/41/18/1131664118.db2.gz MKDRUIORVMUGAD-UONOGXRCSA-N 1 1 281.403 3.908 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]3c3ccccc3)c2c1 ZINC001140115037 1131665370 /nfs/dbraw/zinc/66/53/70/1131665370.db2.gz KOKJZKFXCBSFSQ-IBGZPJMESA-N 1 1 287.366 3.987 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114835 1131665392 /nfs/dbraw/zinc/66/53/92/1131665392.db2.gz BXNHPUKRDRSLRB-HNNXBMFYSA-N 1 1 267.376 3.804 20 30 CHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140113750 1131665477 /nfs/dbraw/zinc/66/54/77/1131665477.db2.gz CKRWRIBQUNNGSL-QWHCGFSZSA-N 1 1 267.376 3.660 20 30 CHEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(Cl)c(C#N)c1 ZINC001206742055 1131666254 /nfs/dbraw/zinc/66/62/54/1131666254.db2.gz DKKPKQLSSOEDDD-UHFFFAOYSA-N 1 1 286.766 3.725 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140173016 1131672298 /nfs/dbraw/zinc/67/22/98/1131672298.db2.gz LINMTBJTOCWXDR-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c[nH]c2cccc(O)c12 ZINC001140234383 1131680320 /nfs/dbraw/zinc/68/03/20/1131680320.db2.gz GUZGOSGNNWABGB-UHFFFAOYSA-N 1 1 258.365 3.662 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C)CC1 ZINC001171209151 1131685720 /nfs/dbraw/zinc/68/57/20/1131685720.db2.gz IQQHUIVGYMWKBD-GJZGRUSLSA-N 1 1 256.393 3.611 20 30 CHEDMO C#CC[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001140296578 1131689389 /nfs/dbraw/zinc/68/93/89/1131689389.db2.gz VBMJWNIZKDKDJH-UHFFFAOYSA-N 1 1 276.792 3.529 20 30 CHEDMO C#CC[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001140296578 1131689391 /nfs/dbraw/zinc/68/93/91/1131689391.db2.gz VBMJWNIZKDKDJH-UHFFFAOYSA-N 1 1 276.792 3.529 20 30 CHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171222068 1131707624 /nfs/dbraw/zinc/70/76/24/1131707624.db2.gz CLGYGJGUBDKXNN-GJZGRUSLSA-N 1 1 256.393 3.611 20 30 CHEDMO COc1cccc(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171221358 1131707640 /nfs/dbraw/zinc/70/76/40/1131707640.db2.gz LBSLYSWXYGQBPR-OAHLLOKOSA-N 1 1 294.398 3.630 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140381082 1131709207 /nfs/dbraw/zinc/70/92/07/1131709207.db2.gz PLFHYIJSFPAMPW-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001171224940 1131709745 /nfs/dbraw/zinc/70/97/45/1131709745.db2.gz VTRAZWCYGPRHNV-CYBMUJFWSA-N 1 1 299.805 3.670 20 30 CHEDMO C#Cc1cccc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)c1 ZINC000834903747 1131726598 /nfs/dbraw/zinc/72/65/98/1131726598.db2.gz QRYUVMIXXAJXMH-CYBMUJFWSA-N 1 1 296.439 3.854 20 30 CHEDMO Cc1cc(C)c(N[NH+]=C2CCCc3nc(N)ccc32)c(C)c1 ZINC000834960687 1131741321 /nfs/dbraw/zinc/74/13/21/1131741321.db2.gz ZCGJVSNZHYHCRH-UHFFFAOYSA-N 1 1 294.402 3.742 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)cc(OC)c1)C(C)(C)C ZINC001140481845 1131758797 /nfs/dbraw/zinc/75/87/97/1131758797.db2.gz HWAFHRNPQIKJEM-UHFFFAOYSA-N 1 1 251.345 3.621 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+]1CC2CC1(CN)C2 ZINC001246644625 1131764970 /nfs/dbraw/zinc/76/49/70/1131764970.db2.gz IJIYQKRWDGLRGL-PCKAHOCUSA-N 1 1 252.446 3.549 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC2CC1(CN)C2 ZINC001246644625 1131764979 /nfs/dbraw/zinc/76/49/79/1131764979.db2.gz IJIYQKRWDGLRGL-PCKAHOCUSA-N 1 1 252.446 3.549 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000847023763 1131772276 /nfs/dbraw/zinc/77/22/76/1131772276.db2.gz FMNGPHBROHSVFQ-STQMWFEESA-N 1 1 279.330 3.694 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3c(Cl)n2)C1 ZINC000847018054 1131772869 /nfs/dbraw/zinc/77/28/69/1131772869.db2.gz HNDDVKOUXFTYMS-CYBMUJFWSA-N 1 1 284.790 3.733 20 30 CHEDMO Cc1c(C#N)cccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001228028321 1131792136 /nfs/dbraw/zinc/79/21/36/1131792136.db2.gz YDXWCIQJQBPURP-FVQHAEBGSA-N 1 1 284.403 3.649 20 30 CHEDMO C[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140599719 1131819871 /nfs/dbraw/zinc/81/98/71/1131819871.db2.gz NZDOVGAEIQFNAW-LBPRGKRZSA-N 1 1 262.784 3.834 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001140600851 1131821147 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C=CC[N@H+](Cc1[nH]cc(C)c1C)Cc1ccccc1 ZINC001140861377 1131950684 /nfs/dbraw/zinc/95/06/84/1131950684.db2.gz FDFVPIDVHBQVFJ-UHFFFAOYSA-N 1 1 254.377 3.820 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccns1 ZINC000716059494 1132003207 /nfs/dbraw/zinc/00/32/07/1132003207.db2.gz ZXGBPACBAJQJKB-GFCCVEGCSA-N 1 1 274.389 3.559 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076022 1132006122 /nfs/dbraw/zinc/00/61/22/1132006122.db2.gz JWDGHOHDTHRBIJ-UHFFFAOYSA-N 1 1 297.446 3.511 20 30 CHEDMO C=C(Br)C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001171436735 1132017826 /nfs/dbraw/zinc/01/78/26/1132017826.db2.gz XLTLNNAYMJNWEW-UHFFFAOYSA-N 1 1 284.172 3.703 20 30 CHEDMO N#Cc1c(N)sc(C[N@H+]2CCC23CCCCC3)c1Cl ZINC001141107214 1132020279 /nfs/dbraw/zinc/02/02/79/1132020279.db2.gz UBKBNQYCITVDIJ-UHFFFAOYSA-N 1 1 295.839 3.764 20 30 CHEDMO C[N@H+](Cc1sc(N)c(C#N)c1Cl)CC1CCCCC1 ZINC001141114295 1132022402 /nfs/dbraw/zinc/02/24/02/1132022402.db2.gz KURYCUWOCJAFNU-UHFFFAOYSA-N 1 1 297.855 3.867 20 30 CHEDMO 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CCCCCCC[C@H](CC)[NH2+][C@@H](C)C(=O)OCC ZINC001172347421 1132180864 /nfs/dbraw/zinc/18/08/64/1132180864.db2.gz UQDIVACTUYROHE-KBPBESRZSA-N 1 1 257.418 3.667 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172354497 1132183859 /nfs/dbraw/zinc/18/38/59/1132183859.db2.gz IEHQKTSDJWRQEV-DOTOQJQBSA-N 1 1 296.455 3.700 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001172356854 1132186162 /nfs/dbraw/zinc/18/61/62/1132186162.db2.gz YUDFUNOXDAPGAW-ZWKOTPCHSA-N 1 1 296.499 3.532 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@](F)(CO)C1 ZINC001172359347 1132187087 /nfs/dbraw/zinc/18/70/87/1132187087.db2.gz VYEPANGKUGWSFO-GJZGRUSLSA-N 1 1 259.409 3.532 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001172358812 1132187402 /nfs/dbraw/zinc/18/74/02/1132187402.db2.gz SFZTUKGBBJARGY-OWCLPIDISA-N 1 1 255.446 3.828 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586010 1132192108 /nfs/dbraw/zinc/19/21/08/1132192108.db2.gz 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CCCCCCCC[C@@H](CC)[N@H+]1CCn2nncc2C1 ZINC001172502110 1132250899 /nfs/dbraw/zinc/25/08/99/1132250899.db2.gz OEUYXJFHHNWOCK-OAHLLOKOSA-N 1 1 278.444 3.623 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1cccc2cccnc21 ZINC001172504262 1132252489 /nfs/dbraw/zinc/25/24/89/1132252489.db2.gz FMCUVRISISZHCG-AWEZNQCLSA-N 1 1 267.376 3.749 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001172503925 1132252674 /nfs/dbraw/zinc/25/26/74/1132252674.db2.gz CSLNRSSGRGFJBL-MRXNPFEDSA-N 1 1 285.435 3.801 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001172504971 1132254424 /nfs/dbraw/zinc/25/44/24/1132254424.db2.gz IMYZLKFCIVQKBW-CVEARBPZSA-N 1 1 282.472 3.713 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001172507150 1132256256 /nfs/dbraw/zinc/25/62/56/1132256256.db2.gz QDEGMTZGVUOKBS-KBPBESRZSA-N 1 1 260.356 3.697 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001172506990 1132256271 /nfs/dbraw/zinc/25/62/71/1132256271.db2.gz NHMWSJXVGMSIHV-WBVHZDCISA-N 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/nfs/dbraw/zinc/04/62/48/1134046248.db2.gz YFTWWRVNTZWITE-UHFFFAOYSA-N 1 1 261.756 3.557 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1cccc2[nH]cc(Cl)c21 ZINC001209655678 1134046255 /nfs/dbraw/zinc/04/62/55/1134046255.db2.gz YFTWWRVNTZWITE-UHFFFAOYSA-N 1 1 261.756 3.557 20 30 CHEDMO N#Cc1cccc(O)c1Nc1ccc2c[nH+]ccc2c1 ZINC001210050528 1134136087 /nfs/dbraw/zinc/13/60/87/1134136087.db2.gz CDLFZBSTWLASBC-UHFFFAOYSA-N 1 1 261.284 3.556 20 30 CHEDMO Cc1[nH]c2ccc(Nc3c(C#N)ccc(F)c3F)cc2[nH+]1 ZINC001213076684 1134423374 /nfs/dbraw/zinc/42/33/74/1134423374.db2.gz YDEZJANQAIDYSQ-UHFFFAOYSA-N 1 1 284.269 3.765 20 30 CHEDMO N#CC1(c2cccc(Nc3c[nH+]c4ccccn34)c2)CC1 ZINC001213314097 1134440559 /nfs/dbraw/zinc/44/05/59/1134440559.db2.gz MXWQGGITVIUJRU-UHFFFAOYSA-N 1 1 274.327 3.633 20 30 CHEDMO Cc1[nH+]c2c(Nc3cc(C#N)ccc3F)cccn2c1C ZINC001214595958 1134554924 /nfs/dbraw/zinc/55/49/24/1134554924.db2.gz GFIFUKGRFZQAGZ-UHFFFAOYSA-N 1 1 280.306 3.706 20 30 CHEDMO CCc1cc(Nc2c(C)[nH+]c3ccccn32)ccc1C#N ZINC001216315929 1134849350 /nfs/dbraw/zinc/84/93/50/1134849350.db2.gz TZJFLUXKTIRXLR-UHFFFAOYSA-N 1 1 276.343 3.820 20 30 CHEDMO CCCCCCCCC[C@@H](C)Oc1ncnc2c1C[NH2+]C2 ZINC001218354255 1135092662 /nfs/dbraw/zinc/09/26/62/1135092662.db2.gz DPPZVOPQDGBNBO-CQSZACIVSA-N 1 1 291.439 3.988 20 30 CHEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218357086 1135093964 /nfs/dbraw/zinc/09/39/64/1135093964.db2.gz IYFCKLOOBPTGKA-SKDZVZGDSA-N 1 1 287.403 3.588 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000311370132 1135129078 /nfs/dbraw/zinc/12/90/78/1135129078.db2.gz RDFRJHAYRUECQR-CYBMUJFWSA-N 1 1 281.362 3.736 20 30 CHEDMO CCCCCCC[C@@H](C)C(=O)NCc1ccc(N)[nH+]c1C ZINC001220071588 1135146016 /nfs/dbraw/zinc/14/60/16/1135146016.db2.gz KAUVXJAOIMQBTF-CYBMUJFWSA-N 1 1 291.439 3.585 20 30 CHEDMO C=C[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001223309615 1135325270 /nfs/dbraw/zinc/32/52/70/1135325270.db2.gz YIPPXWYLNWLOJT-YVSFHVDLSA-N 1 1 257.377 3.556 20 30 CHEDMO C=CCCCCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224338099 1135441674 /nfs/dbraw/zinc/44/16/74/1135441674.db2.gz SGSDHJQDGXNRKH-KRWDZBQOSA-N 1 1 259.393 3.634 20 30 CHEDMO C=CCCCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224511967 1135455295 /nfs/dbraw/zinc/45/52/95/1135455295.db2.gz YDAFZIYPLCLAAZ-BWTSREIZSA-N 1 1 285.431 3.880 20 30 CHEDMO C=CCCCO[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001224510410 1135455388 /nfs/dbraw/zinc/45/53/88/1135455388.db2.gz ZZUBFBKUGRTTPS-HOTGVXAUSA-N 1 1 274.408 3.590 20 30 CHEDMO C=C(CO[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001224739923 1135477296 /nfs/dbraw/zinc/47/72/96/1135477296.db2.gz VSJJOPDGCAZSTP-QGZVFWFLSA-N 1 1 259.393 3.589 20 30 CHEDMO C#C[C@H](Oc1cccnc1C[NH+](C)C)[C@@H](CC)CCCC ZINC001225278720 1135533741 /nfs/dbraw/zinc/53/37/41/1135533741.db2.gz PSPXJGGMWNDKFY-RDJZCZTQSA-N 1 1 288.435 3.740 20 30 CHEDMO CCc1ccc(C[N@@H+](CCC#N)CC(CC)CC)cn1 ZINC000347791307 529637235 /nfs/dbraw/zinc/63/72/35/529637235.db2.gz VHFMQHHFIHKHOT-UHFFFAOYSA-N 1 1 273.424 3.796 20 30 CHEDMO CCc1ccc(C[N@H+](CCC#N)CC(CC)CC)cn1 ZINC000347791307 529637237 /nfs/dbraw/zinc/63/72/37/529637237.db2.gz VHFMQHHFIHKHOT-UHFFFAOYSA-N 1 1 273.424 3.796 20 30 CHEDMO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000574509269 335024565 /nfs/dbraw/zinc/02/45/65/335024565.db2.gz BQEILHKQDQVGRY-GOSISDBHSA-N 1 1 296.801 3.924 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000574509269 335024567 /nfs/dbraw/zinc/02/45/67/335024567.db2.gz BQEILHKQDQVGRY-GOSISDBHSA-N 1 1 296.801 3.924 20 30 CHEDMO CC[N@H+](Cc1cccs1)Cc1ccc(F)cc1C#N ZINC000171374278 335063820 /nfs/dbraw/zinc/06/38/20/335063820.db2.gz JOINZJHTNJEJMH-UHFFFAOYSA-N 1 1 274.364 3.781 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(F)cc1C#N ZINC000171374278 335063821 /nfs/dbraw/zinc/06/38/21/335063821.db2.gz JOINZJHTNJEJMH-UHFFFAOYSA-N 1 1 274.364 3.781 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000347260514 533495051 /nfs/dbraw/zinc/49/50/51/533495051.db2.gz NKOHQVKCYZWGHW-IBGZPJMESA-N 1 1 296.414 3.889 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341802276 130039076 /nfs/dbraw/zinc/03/90/76/130039076.db2.gz YPXWVXJESQNPNL-HNAYVOBHSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@@H](c1ccccc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341802276 130039079 /nfs/dbraw/zinc/03/90/79/130039079.db2.gz YPXWVXJESQNPNL-HNAYVOBHSA-N 1 1 292.382 3.693 20 30 CHEDMO C=CC[N@H+](CCCOC(C)C)Cc1cccs1 ZINC000171497307 335067077 /nfs/dbraw/zinc/06/70/77/335067077.db2.gz XCHMSSSGOBJMSW-UHFFFAOYSA-N 1 1 253.411 3.551 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)ccc1F ZINC000344365841 225043791 /nfs/dbraw/zinc/04/37/91/225043791.db2.gz MLCKYLJIKYURNA-QGZVFWFLSA-N 1 1 266.319 3.644 20 30 CHEDMO N#Cc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)ccc1F ZINC000344365841 225043794 /nfs/dbraw/zinc/04/37/94/225043794.db2.gz MLCKYLJIKYURNA-QGZVFWFLSA-N 1 1 266.319 3.644 20 30 CHEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000334770012 225314735 /nfs/dbraw/zinc/31/47/35/225314735.db2.gz BBKOCXFUSWPKQU-CABCVRRESA-N 1 1 269.392 3.699 20 30 CHEDMO C[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000575218183 335083149 /nfs/dbraw/zinc/08/31/49/335083149.db2.gz UNQYXZMVALYDBM-ZZXKWVIFSA-N 1 1 298.336 3.982 20 30 CHEDMO N#Cc1csc(C[NH2+]Cc2csc3ccccc23)n1 ZINC000352823128 227258426 /nfs/dbraw/zinc/25/84/26/227258426.db2.gz LRNGJGIDBRGKLM-UHFFFAOYSA-N 1 1 285.397 3.519 20 30 CHEDMO Cc1ccncc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000353449934 228104338 /nfs/dbraw/zinc/10/43/38/228104338.db2.gz OOCQGJZSIAVCJF-UHFFFAOYSA-N 1 1 293.414 3.920 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCCC#N)CC1 ZINC000352187872 228196137 /nfs/dbraw/zinc/19/61/37/228196137.db2.gz VJBGKSQJGPPUKG-KRWDZBQOSA-N 1 1 256.393 3.734 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000173582795 260029280 /nfs/dbraw/zinc/02/92/80/260029280.db2.gz GCMALUSCVSWEJL-HNNXBMFYSA-N 1 1 293.414 3.817 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(F)c1F ZINC000179912347 260080105 /nfs/dbraw/zinc/08/01/05/260080105.db2.gz MHGLKGNICQUQTM-SNVBAGLBSA-N 1 1 290.288 3.826 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@H](CC)c2nccs2)cc1 ZINC000078004328 260167510 /nfs/dbraw/zinc/16/75/10/260167510.db2.gz ATLNANYZQCQJSW-OAHLLOKOSA-N 1 1 288.416 3.949 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000087608681 260215363 /nfs/dbraw/zinc/21/53/63/260215363.db2.gz ILMQJIYCKYALMN-INIZCTEOSA-N 1 1 256.393 3.806 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCCSCC#N)C1 ZINC000074991728 260289100 /nfs/dbraw/zinc/28/91/00/260289100.db2.gz ISSXAGRCZQSGRG-XJKSGUPXSA-N 1 1 292.423 3.855 20 30 CHEDMO N#CCCCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964793 260291951 /nfs/dbraw/zinc/29/19/51/260291951.db2.gz PGNIOXWCJPPQQB-HNNXBMFYSA-N 1 1 274.433 3.794 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000223542387 260311739 /nfs/dbraw/zinc/31/17/39/260311739.db2.gz XHRMSFMQUBZJLL-ZDUSSCGKSA-N 1 1 260.356 3.709 20 30 CHEDMO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000112528241 260662099 /nfs/dbraw/zinc/66/20/99/260662099.db2.gz FGEUUUYBXYYAKT-CABCVRRESA-N 1 1 285.391 3.568 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000157611725 260849780 /nfs/dbraw/zinc/84/97/80/260849780.db2.gz KFKDXUANRCPBCV-GOSISDBHSA-N 1 1 293.414 3.833 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000157611725 260849781 /nfs/dbraw/zinc/84/97/81/260849781.db2.gz KFKDXUANRCPBCV-GOSISDBHSA-N 1 1 293.414 3.833 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448270205 261076248 /nfs/dbraw/zinc/07/62/48/261076248.db2.gz DFGNOBAGIFJQDI-BRSBDYLESA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448270205 261076249 /nfs/dbraw/zinc/07/62/49/261076249.db2.gz DFGNOBAGIFJQDI-BRSBDYLESA-N 1 1 290.451 3.740 20 30 CHEDMO CCOc1ccccc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000174863278 261200204 /nfs/dbraw/zinc/20/02/04/261200204.db2.gz JAPULELUXFOSSK-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000361509473 261305306 /nfs/dbraw/zinc/30/53/06/261305306.db2.gz VCUUGNYQYNHQRD-GOSISDBHSA-N 1 1 281.403 3.870 20 30 CHEDMO C[N@@H+](CCCCC#N)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361577440 261348036 /nfs/dbraw/zinc/34/80/36/261348036.db2.gz MJEDEUBXUXGHCG-VXGBXAGGSA-N 1 1 262.319 3.733 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000497200341 262103467 /nfs/dbraw/zinc/10/34/67/262103467.db2.gz QYQSJQHIVWTRKH-UHFFFAOYSA-N 1 1 261.262 3.852 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000497200341 262103469 /nfs/dbraw/zinc/10/34/69/262103469.db2.gz QYQSJQHIVWTRKH-UHFFFAOYSA-N 1 1 261.262 3.852 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000187181115 262127479 /nfs/dbraw/zinc/12/74/79/262127479.db2.gz SGQZTTWEFGDZIR-VXGBXAGGSA-N 1 1 250.773 3.677 20 30 CHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000497470459 262166063 /nfs/dbraw/zinc/16/60/63/262166063.db2.gz JLYDMSMMRDTVHU-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cncc(C)c1 ZINC000189914014 262177261 /nfs/dbraw/zinc/17/72/61/262177261.db2.gz ZPOHCEYANIWMNP-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cncc(C)c1 ZINC000189914014 262177262 /nfs/dbraw/zinc/17/72/62/262177262.db2.gz ZPOHCEYANIWMNP-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495614336 262282670 /nfs/dbraw/zinc/28/26/70/262282670.db2.gz XFVPJNUPKJUITM-LSDHHAIUSA-N 1 1 296.455 3.578 20 30 CHEDMO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000221956149 262336888 /nfs/dbraw/zinc/33/68/88/262336888.db2.gz XPDWJKMVCWDDNP-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000365435841 262364897 /nfs/dbraw/zinc/36/48/97/262364897.db2.gz YDQPTQXPXJPSDW-UHFFFAOYSA-N 1 1 278.440 3.742 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000365432417 262365103 /nfs/dbraw/zinc/36/51/03/262365103.db2.gz MRHAALBGATWPMP-UHFFFAOYSA-N 1 1 278.440 3.599 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264540343 262890355 /nfs/dbraw/zinc/89/03/55/262890355.db2.gz HFPSEQSYKVGLJI-PBHICJAKSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000271989047 263000977 /nfs/dbraw/zinc/00/09/77/263000977.db2.gz DGCMOGZIXFBWKG-KBPBESRZSA-N 1 1 292.448 3.576 20 30 CHEDMO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ncc(-c2ccccc2)o1 ZINC000274416477 263023905 /nfs/dbraw/zinc/02/39/05/263023905.db2.gz HYLHSVFBAVNOIT-GUTXKFCHSA-N 1 1 281.359 3.684 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000276285188 263035711 /nfs/dbraw/zinc/03/57/11/263035711.db2.gz GNNSCROVHXTLFG-IPYPFGDCSA-N 1 1 260.356 3.696 20 30 CHEDMO CC[N@@H+](CCCCC(C)(C)C#N)CCc1nccs1 ZINC000277655620 263042615 /nfs/dbraw/zinc/04/26/15/263042615.db2.gz IRZBTVVPKCKKSU-UHFFFAOYSA-N 1 1 279.453 3.728 20 30 CHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000278727618 263050240 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3.798 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232109955 1132424089 /nfs/dbraw/zinc/42/40/89/1132424089.db2.gz IMKWUIXHSNXBML-TXEJJXNPSA-N 1 1 262.784 3.975 20 30 CHEDMO C=CCOC1CCC([N@@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001173321797 1132460531 /nfs/dbraw/zinc/46/05/31/1132460531.db2.gz PLCAUHBHSQIZGD-UHFFFAOYSA-N 1 1 287.394 3.867 20 30 CHEDMO CCC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173329001 1132462324 /nfs/dbraw/zinc/46/23/24/1132462324.db2.gz XIVZYCBOCHUYBI-NRXISQOPSA-N 1 1 294.439 3.559 20 30 CHEDMO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232605278 1132492215 /nfs/dbraw/zinc/49/22/15/1132492215.db2.gz XOEOHBVTVCIRMW-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232605278 1132492219 /nfs/dbraw/zinc/49/22/19/1132492219.db2.gz XOEOHBVTVCIRMW-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc2nccn2c1 ZINC001143028526 1132494702 /nfs/dbraw/zinc/49/47/02/1132494702.db2.gz CUPVPLUVEIDDAU-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cc(C)nn1C ZINC001205903987 1133628426 /nfs/dbraw/zinc/62/84/26/1133628426.db2.gz COQJBRBNGKWPET-UHFFFAOYSA-N 1 1 251.418 3.521 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)CC1 ZINC001208179341 1133897977 /nfs/dbraw/zinc/89/79/77/1133897977.db2.gz VPPFDYZNUGDKLS-DJIMGWMZSA-N 1 1 263.425 3.788 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001208178799 1133899202 /nfs/dbraw/zinc/89/92/02/1133899202.db2.gz XEKVHUDYGGCBFT-CVEARBPZSA-N 1 1 263.425 3.524 20 30 CHEDMO C=CCCCCCCC[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001209441364 1134021894 /nfs/dbraw/zinc/02/18/94/1134021894.db2.gz IESCVIVECGXLMX-ZYGGUILKSA-N 1 1 263.425 3.622 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001209442115 1134022785 /nfs/dbraw/zinc/02/27/85/1134022785.db2.gz AIBMZXLSSVPDCW-CVEARBPZSA-N 1 1 253.430 3.606 20 30 CHEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(C)(C)C#N)s1 ZINC000119940652 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C[C@H]([N@@H+](C)Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC000532929078 1125589100 /nfs/dbraw/zinc/58/91/00/1125589100.db2.gz YSELKUBKVRYJAQ-ZDUSSCGKSA-N 1 1 269.392 3.677 20 30 CHEDMO N#CCCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000069072297 1125629184 /nfs/dbraw/zinc/62/91/84/1125629184.db2.gz ABUPOTMVQDMWAL-UHFFFAOYSA-N 1 1 256.393 3.777 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccccc1N(C)C ZINC000072691526 1125634857 /nfs/dbraw/zinc/63/48/57/1125634857.db2.gz ZHEMFTJEVWFMJO-UHFFFAOYSA-N 1 1 273.424 3.514 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1N(C)C ZINC000072691526 1125634859 /nfs/dbraw/zinc/63/48/59/1125634859.db2.gz ZHEMFTJEVWFMJO-UHFFFAOYSA-N 1 1 273.424 3.514 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000073415147 1125637901 /nfs/dbraw/zinc/63/79/01/1125637901.db2.gz LXTFFJOTCWNDBR-IBGZPJMESA-N 1 1 295.430 3.775 20 30 CHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049525847 1125648959 /nfs/dbraw/zinc/64/89/59/1125648959.db2.gz OAEBAXFGVIVVQU-GXFFZTMASA-N 1 1 281.197 3.792 20 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JPNHBZULBFSFAA-IUODEOHRSA-N 1 1 280.799 3.509 20 30 CHEDMO CO[C@H](C[N@H+](CCC#N)CC1CC1)c1ccc(Cl)cc1 ZINC000338303293 1126733106 /nfs/dbraw/zinc/73/31/06/1126733106.db2.gz DVDSGXANCRUPFG-MRXNPFEDSA-N 1 1 292.810 3.653 20 30 CHEDMO CO[C@H](C[N@@H+](CCC#N)CC1CC1)c1ccc(Cl)cc1 ZINC000338303293 1126733109 /nfs/dbraw/zinc/73/31/09/1126733109.db2.gz DVDSGXANCRUPFG-MRXNPFEDSA-N 1 1 292.810 3.653 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)nc2Cl)C1 ZINC001238723654 1131237649 /nfs/dbraw/zinc/23/76/49/1131237649.db2.gz AAVTYOQRYSXEQY-CYBMUJFWSA-N 1 1 276.811 3.704 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)nc2Cl)C1 ZINC001238723654 1131237652 /nfs/dbraw/zinc/23/76/52/1131237652.db2.gz AAVTYOQRYSXEQY-CYBMUJFWSA-N 1 1 276.811 3.704 20 30 CHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000482483761 1126759921 /nfs/dbraw/zinc/75/99/21/1126759921.db2.gz JGIZTKXBIOGKRV-CABZTGNLSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000482483761 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C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352881205 1127248107 /nfs/dbraw/zinc/24/81/07/1127248107.db2.gz DNNOJPQQZWBPTI-LBPRGKRZSA-N 1 1 284.334 3.596 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352881205 1127248110 /nfs/dbraw/zinc/24/81/10/1127248110.db2.gz DNNOJPQQZWBPTI-LBPRGKRZSA-N 1 1 284.334 3.596 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnccc1C ZINC000352899161 1127248611 /nfs/dbraw/zinc/24/86/11/1127248611.db2.gz BSSZTICGIGIUJL-UHFFFAOYSA-N 1 1 298.434 3.746 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnccc1C ZINC000352899161 1127248615 /nfs/dbraw/zinc/24/86/15/1127248615.db2.gz BSSZTICGIGIUJL-UHFFFAOYSA-N 1 1 298.434 3.746 20 30 CHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(O)c1Cl ZINC000590188376 1127250891 /nfs/dbraw/zinc/25/08/91/1127250891.db2.gz YQYIKEBAJNAPHD-OAHLLOKOSA-N 1 1 298.773 3.694 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000057626087 1127269379 /nfs/dbraw/zinc/26/93/79/1127269379.db2.gz DBOPQVNHQZPTAA-UHFFFAOYSA-N 1 1 285.435 3.803 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1cc(OC)cnc1F ZINC001238117594 1131172332 /nfs/dbraw/zinc/17/23/32/1131172332.db2.gz HWOWLMJMPIXNQY-UHFFFAOYSA-N 1 1 268.376 3.632 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cc(OC)cnc1F ZINC001238117594 1131172336 /nfs/dbraw/zinc/17/23/36/1131172336.db2.gz HWOWLMJMPIXNQY-UHFFFAOYSA-N 1 1 268.376 3.632 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000590741211 1127271147 /nfs/dbraw/zinc/27/11/47/1127271147.db2.gz OCMASQAJXBKSAF-LJQANCHMSA-N 1 1 291.398 3.641 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000590746893 1127270649 /nfs/dbraw/zinc/27/06/49/1127270649.db2.gz KZALIMFKPYDVGI-SPYBWZPUSA-N 1 1 291.398 3.720 20 30 CHEDMO CC[N@@H+](CCC1(C#N)CCCCC1)Cc1ccoc1 ZINC000591012532 1127282353 /nfs/dbraw/zinc/28/23/53/1127282353.db2.gz BKTOVFJUYVTGQO-UHFFFAOYSA-N 1 1 260.381 3.966 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000591012293 1127282680 /nfs/dbraw/zinc/28/26/80/1127282680.db2.gz MDWZHNAMTUKVSP-BPQIPLTHSA-N 1 1 286.419 3.778 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2CSC)c1 ZINC000354088459 1127291783 /nfs/dbraw/zinc/29/17/83/1127291783.db2.gz PTFWDBGKBZVKIU-HNNXBMFYSA-N 1 1 277.433 3.579 20 30 CHEDMO N#CC1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CCC1 ZINC000591357622 1127299089 /nfs/dbraw/zinc/29/90/89/1127299089.db2.gz JDLKQHYOJVBUGB-UHFFFAOYSA-N 1 1 285.778 3.672 20 30 CHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NCC1([NH3+])CCCCCC1 ZINC000591576914 1127309282 /nfs/dbraw/zinc/30/92/82/1127309282.db2.gz NFWSVRPACWPOFO-GOSISDBHSA-N 1 1 297.446 3.577 20 30 CHEDMO C#CCC[N@@H+]1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000760845785 1127310806 /nfs/dbraw/zinc/31/08/06/1127310806.db2.gz CPFSTKFZMLMRSG-JTQLQIEISA-N 1 1 268.187 3.936 20 30 CHEDMO C#CCC[N@H+]1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000760845785 1127310807 /nfs/dbraw/zinc/31/08/07/1127310807.db2.gz CPFSTKFZMLMRSG-JTQLQIEISA-N 1 1 268.187 3.936 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCC[C@@]12CCN(C)C2=O ZINC001275342059 1127311761 /nfs/dbraw/zinc/31/17/61/1127311761.db2.gz SYYNDPONDIFWIO-SFHVURJKSA-N 1 1 292.467 3.600 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000157498917 1127319784 /nfs/dbraw/zinc/31/97/84/1127319784.db2.gz RFUARCYSRRCILR-CQSZACIVSA-N 1 1 272.392 3.742 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000573576793 1127319903 /nfs/dbraw/zinc/31/99/03/1127319903.db2.gz QAGFYGBJLIXGAD-HZPDHXFCSA-N 1 1 271.408 3.600 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138089 1127320326 /nfs/dbraw/zinc/32/03/26/1127320326.db2.gz SBLHLKQFUMAROR-HZPDHXFCSA-N 1 1 290.407 3.567 20 30 CHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(C)(C)CCC#N ZINC000355205850 1127324499 /nfs/dbraw/zinc/32/44/99/1127324499.db2.gz KNKRQHYKVWUMGF-GJZGRUSLSA-N 1 1 280.456 3.842 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CC2=CCCC2)C2CC2)cc1 ZINC000592064448 1127332402 /nfs/dbraw/zinc/33/24/02/1127332402.db2.gz FAMCGRGATYJVLS-UHFFFAOYSA-N 1 1 252.361 3.633 20 30 CHEDMO C=CC[N@@H+](CC1=CCCC1)Cc1cccc(C#N)c1 ZINC000592064352 1127332812 /nfs/dbraw/zinc/33/28/12/1127332812.db2.gz CMROGQUAGGZIIZ-UHFFFAOYSA-N 1 1 252.361 3.657 20 30 CHEDMO CC(C)[N@H+](Cc1ccncc1C#N)[C@H](C)c1ccccc1 ZINC000592123089 1127332841 /nfs/dbraw/zinc/33/28/41/1127332841.db2.gz UZCLUHVJTLKRMK-OAHLLOKOSA-N 1 1 279.387 3.925 20 30 CHEDMO CC(C)[N@@H+](Cc1ccncc1C#N)[C@H](C)c1ccccc1 ZINC000592123089 1127332843 /nfs/dbraw/zinc/33/28/43/1127332843.db2.gz UZCLUHVJTLKRMK-OAHLLOKOSA-N 1 1 279.387 3.925 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592061056 1127332921 /nfs/dbraw/zinc/33/29/21/1127332921.db2.gz PYWMILHKICNEMY-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000592102088 1127333738 /nfs/dbraw/zinc/33/37/38/1127333738.db2.gz PSITVGCMPAUOAR-SGQUHAKNSA-N 1 1 289.382 3.631 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000592102088 1127333741 /nfs/dbraw/zinc/33/37/41/1127333741.db2.gz PSITVGCMPAUOAR-SGQUHAKNSA-N 1 1 289.382 3.631 20 30 CHEDMO CC[N@@H+](CCC[C@H]1CCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592063869 1127334541 /nfs/dbraw/zinc/33/45/41/1127334541.db2.gz KQVROFGZAUEHPB-RDJZCZTQSA-N 1 1 286.419 3.758 20 30 CHEDMO N#Cc1cnccc1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000592068817 1127334753 /nfs/dbraw/zinc/33/47/53/1127334753.db2.gz HHYBYSCDFITTMC-UHFFFAOYSA-N 1 1 295.361 3.505 20 30 CHEDMO N#Cc1cnccc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000592068817 1127334758 /nfs/dbraw/zinc/33/47/58/1127334758.db2.gz HHYBYSCDFITTMC-UHFFFAOYSA-N 1 1 295.361 3.505 20 30 CHEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccncc1C#N ZINC000592069999 1127335023 /nfs/dbraw/zinc/33/50/23/1127335023.db2.gz DTJCDKRHASAVRL-UHFFFAOYSA-N 1 1 297.377 3.547 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1 ZINC000592092981 1127335655 /nfs/dbraw/zinc/33/56/55/1127335655.db2.gz JZMABTOXKPQYSQ-MRXNPFEDSA-N 1 1 285.778 3.848 20 30 CHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592123189 1127335783 /nfs/dbraw/zinc/33/57/83/1127335783.db2.gz QJDWQLFREPTKAA-HNAYVOBHSA-N 1 1 291.398 3.926 20 30 CHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592123189 1127335788 /nfs/dbraw/zinc/33/57/88/1127335788.db2.gz QJDWQLFREPTKAA-HNAYVOBHSA-N 1 1 291.398 3.926 20 30 CHEDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592121185 1127336058 /nfs/dbraw/zinc/33/60/58/1127336058.db2.gz NHFHKLNDCJOWNF-GFCCVEGCSA-N 1 1 283.400 3.526 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000592122909 1127336157 /nfs/dbraw/zinc/33/61/57/1127336157.db2.gz SSBBPPSCNYPOON-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000592122909 1127336160 /nfs/dbraw/zinc/33/61/60/1127336160.db2.gz SSBBPPSCNYPOON-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1ccncc1C#N ZINC000592123951 1127337257 /nfs/dbraw/zinc/33/72/57/1127337257.db2.gz ZORIRKMPYXAQNY-CZUORRHYSA-N 1 1 271.408 3.600 20 30 CHEDMO Cc1ccc(C[N@@H+](CCCC(C)(C)C#N)CC2CC2)cn1 ZINC000592144907 1127337294 /nfs/dbraw/zinc/33/72/94/1127337294.db2.gz KAEDHCCKIGRSRC-UHFFFAOYSA-N 1 1 285.435 3.932 20 30 CHEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1csc(C)c1 ZINC000592187205 1127338374 /nfs/dbraw/zinc/33/83/74/1127338374.db2.gz IFEYNRRVSXNYOM-TZMCWYRMSA-N 1 1 261.394 3.541 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2cccc(C#N)c2)CC2CC2)cn1 ZINC000592144396 1127338872 /nfs/dbraw/zinc/33/88/72/1127338872.db2.gz BMLXHRAIFIQSSJ-UHFFFAOYSA-N 1 1 291.398 3.674 20 30 CHEDMO CC[N@@H+](CCSC)Cc1ccccc1C(C)(C)C#N ZINC000592200141 1127340593 /nfs/dbraw/zinc/34/05/93/1127340593.db2.gz KXOGWBWVMVIRNB-UHFFFAOYSA-N 1 1 276.449 3.673 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000760962435 1127342120 /nfs/dbraw/zinc/34/21/20/1127342120.db2.gz MZHZWZOHXDXNRX-OAHLLOKOSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000760962435 1127342125 /nfs/dbraw/zinc/34/21/25/1127342125.db2.gz MZHZWZOHXDXNRX-OAHLLOKOSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000760962435 1127342128 /nfs/dbraw/zinc/34/21/28/1127342128.db2.gz MZHZWZOHXDXNRX-OAHLLOKOSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000760962435 1127342133 /nfs/dbraw/zinc/34/21/33/1127342133.db2.gz MZHZWZOHXDXNRX-OAHLLOKOSA-N 1 1 278.444 3.653 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000760962435 1127342138 /nfs/dbraw/zinc/34/21/38/1127342138.db2.gz MZHZWZOHXDXNRX-OAHLLOKOSA-N 1 1 278.444 3.653 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592184679 1127343742 /nfs/dbraw/zinc/34/37/42/1127343742.db2.gz RZBRQXCKUDEPDR-GJZGRUSLSA-N 1 1 284.403 3.510 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592531943 1127353437 /nfs/dbraw/zinc/35/34/37/1127353437.db2.gz YIHPOUYBPDCFFF-HNNXBMFYSA-N 1 1 260.406 3.774 20 30 CHEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000593094791 1127373469 /nfs/dbraw/zinc/37/34/69/1127373469.db2.gz IANKKOZKKXVACV-AWEZNQCLSA-N 1 1 294.439 3.513 20 30 CHEDMO C#Cc1ccc(C[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000289373641 1127382488 /nfs/dbraw/zinc/38/24/88/1127382488.db2.gz AQIHJBMWQHCGIJ-UHFFFAOYSA-N 1 1 270.401 3.538 20 30 CHEDMO N#CC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCCC1 ZINC000593653769 1127393520 /nfs/dbraw/zinc/39/35/20/1127393520.db2.gz WQRHRYXSMINGCY-ARJAWSKDSA-N 1 1 276.330 3.652 20 30 CHEDMO CC(C)CCn1cccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593652827 1127393548 /nfs/dbraw/zinc/39/35/48/1127393548.db2.gz QDUDNIZUFDPITQ-UHFFFAOYSA-N 1 1 273.424 3.708 20 30 CHEDMO N#CC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCCC1 ZINC000593653770 1127392712 /nfs/dbraw/zinc/39/27/12/1127392712.db2.gz WQRHRYXSMINGCY-ONEGZZNKSA-N 1 1 276.330 3.652 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000358055139 1127399403 /nfs/dbraw/zinc/39/94/03/1127399403.db2.gz YUVQXZLUFMLNKA-UHFFFAOYSA-N 1 1 282.412 3.912 20 30 CHEDMO C=CCC[C@H](CCC)[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000291028294 1127398466 /nfs/dbraw/zinc/39/84/66/1127398466.db2.gz YGQWBGKZCORJHM-KGLIPLIRSA-N 1 1 295.427 3.780 20 30 CHEDMO Cc1ccc[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593946034 1127400147 /nfs/dbraw/zinc/40/01/47/1127400147.db2.gz ZKYRJYUSMHIRCI-UHFFFAOYSA-N 1 1 265.360 3.803 20 30 CHEDMO Cc1ccc(NCc2ccc(C(C)(C)C#N)cc2)[nH+]c1 ZINC000593945963 1127400295 /nfs/dbraw/zinc/40/02/95/1127400295.db2.gz WPRLWNZTKZNTBU-UHFFFAOYSA-N 1 1 265.360 3.803 20 30 CHEDMO CSc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000358069324 1127400732 /nfs/dbraw/zinc/40/07/32/1127400732.db2.gz SUNUDDDUWRZFTF-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO CSc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000358069324 1127400735 /nfs/dbraw/zinc/40/07/35/1127400735.db2.gz SUNUDDDUWRZFTF-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC)CC(C)C ZINC001308630187 1127403240 /nfs/dbraw/zinc/40/32/40/1127403240.db2.gz ZTAWSPZIXMWHCE-UHFFFAOYSA-N 1 1 279.811 3.830 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000358276177 1127412267 /nfs/dbraw/zinc/41/22/67/1127412267.db2.gz IOAORMNRAJEODX-AWEZNQCLSA-N 1 1 288.782 3.512 20 30 CHEDMO N#CCCC[NH2+]Cc1oc2ccccc2c1Br ZINC000594499810 1127418413 /nfs/dbraw/zinc/41/84/13/1127418413.db2.gz KHWGQRRDHFFBLT-UHFFFAOYSA-N 1 1 293.164 3.589 20 30 CHEDMO C=C(CC)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000358610087 1127428929 /nfs/dbraw/zinc/42/89/29/1127428929.db2.gz FDMPBVPQWGAFAP-AWEZNQCLSA-N 1 1 258.390 3.788 20 30 CHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000358498123 1127424589 /nfs/dbraw/zinc/42/45/89/1127424589.db2.gz POZSKKITYMWCQB-MRXNPFEDSA-N 1 1 292.467 3.504 20 30 CHEDMO C[C@@H](C[N@H+]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1 ZINC000594610913 1127425762 /nfs/dbraw/zinc/42/57/62/1127425762.db2.gz HLTVSXQQWDAPOH-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000594710485 1127429152 /nfs/dbraw/zinc/42/91/52/1127429152.db2.gz IPUWEUYAWJPYFS-HNNXBMFYSA-N 1 1 295.411 3.948 20 30 CHEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000358560538 1127427355 /nfs/dbraw/zinc/42/73/55/1127427355.db2.gz FBWYESPOHIXLQG-SCLBCKFNSA-N 1 1 298.361 3.736 20 30 CHEDMO N#CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594993626 1127444575 /nfs/dbraw/zinc/44/45/75/1127444575.db2.gz DMTQCMWXTXYGPX-VURMDHGXSA-N 1 1 299.374 3.672 20 30 CHEDMO CC(C)n1cc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000595089920 1127454168 /nfs/dbraw/zinc/45/41/68/1127454168.db2.gz AFFJTOLYZWZKOU-AWEZNQCLSA-N 1 1 274.412 3.589 20 30 CHEDMO Cc1cncc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595091206 1127454921 /nfs/dbraw/zinc/45/49/21/1127454921.db2.gz NWMBLPPDZHBKRM-CQSZACIVSA-N 1 1 257.381 3.515 20 30 CHEDMO CC(C)[N@@H+](CCc1ccc(C#N)cc1)Cc1ccco1 ZINC000595297397 1127457819 /nfs/dbraw/zinc/45/78/19/1127457819.db2.gz SPQKFGKQIZDJLH-UHFFFAOYSA-N 1 1 268.360 3.604 20 30 CHEDMO CC[C@H](CC(F)F)C[N@@H+](CCC#N)CC(C)(C)C ZINC000595327867 1127458225 /nfs/dbraw/zinc/45/82/25/1127458225.db2.gz 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Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000595600957 1127469710 /nfs/dbraw/zinc/46/97/10/1127469710.db2.gz LRHBTBANRDEIBZ-GOSISDBHSA-N 1 1 291.398 3.907 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595616911 1127471147 /nfs/dbraw/zinc/47/11/47/1127471147.db2.gz PHSCBNOSMMUMPV-WBVHZDCISA-N 1 1 268.404 3.732 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000595659134 1127472207 /nfs/dbraw/zinc/47/22/07/1127472207.db2.gz KYNKZKLDVCGZDZ-STQMWFEESA-N 1 1 295.452 3.672 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000595659134 1127472209 /nfs/dbraw/zinc/47/22/09/1127472209.db2.gz KYNKZKLDVCGZDZ-STQMWFEESA-N 1 1 295.452 3.672 20 30 CHEDMO N#CCSCCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000595767032 1127474441 /nfs/dbraw/zinc/47/44/41/1127474441.db2.gz LNEDRXQPBHOZQX-UHFFFAOYSA-N 1 1 292.423 3.685 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595785337 1127476422 /nfs/dbraw/zinc/47/64/22/1127476422.db2.gz 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CC[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000597175597 1127532418 /nfs/dbraw/zinc/53/24/18/1127532418.db2.gz BSIOPNYHRZDGAA-HOTGVXAUSA-N 1 1 256.393 3.806 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000597177457 1127532570 /nfs/dbraw/zinc/53/25/70/1127532570.db2.gz MMVPNWJYPGKFGA-OAHLLOKOSA-N 1 1 268.404 3.691 20 30 CHEDMO CC[C@H](C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000597175600 1127532579 /nfs/dbraw/zinc/53/25/79/1127532579.db2.gz BSIOPNYHRZDGAA-JKSUJKDBSA-N 1 1 256.393 3.806 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc2cccnc12 ZINC000597177458 1127532677 /nfs/dbraw/zinc/53/26/77/1127532677.db2.gz MMXCRJGJTGNFRG-HNNXBMFYSA-N 1 1 279.387 3.669 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000597177481 1127532889 /nfs/dbraw/zinc/53/28/89/1127532889.db2.gz MWJQMJHZJFYFQA-KRWDZBQOSA-N 1 1 286.419 3.861 20 30 CHEDMO COc1ccc2ccccc2c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229601 1127534577 /nfs/dbraw/zinc/53/45/77/1127534577.db2.gz NAVMTMOULQQPAG-GOSISDBHSA-N 1 1 280.371 3.584 20 30 CHEDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229601 1127534579 /nfs/dbraw/zinc/53/45/79/1127534579.db2.gz NAVMTMOULQQPAG-GOSISDBHSA-N 1 1 280.371 3.584 20 30 CHEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(C)c1OC(F)F ZINC000597228590 1127535147 /nfs/dbraw/zinc/53/51/47/1127535147.db2.gz DOXQZIRBOJQBNQ-INIZCTEOSA-N 1 1 294.345 3.640 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(C)c1OC(F)F ZINC000597228590 1127535148 /nfs/dbraw/zinc/53/51/48/1127535148.db2.gz DOXQZIRBOJQBNQ-INIZCTEOSA-N 1 1 294.345 3.640 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCCCc1ccccc1 ZINC000228444180 1127558066 /nfs/dbraw/zinc/55/80/66/1127558066.db2.gz VSCSQAPEBYMCLO-UHFFFAOYSA-N 1 1 258.409 3.881 20 30 CHEDMO C=CCC[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000361389157 1127560513 /nfs/dbraw/zinc/56/05/13/1127560513.db2.gz IPVOLYMYRYJITC-UHFFFAOYSA-N 1 1 295.180 3.598 20 30 CHEDMO CC(C)C[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000361498236 1127567652 /nfs/dbraw/zinc/56/76/52/1127567652.db2.gz SMJIUSSGRSJGFK-UHFFFAOYSA-N 1 1 281.403 3.555 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1C#N ZINC000361605181 1127576339 /nfs/dbraw/zinc/57/63/39/1127576339.db2.gz XIZHKPPIAAYKTL-HJCTWCACSA-N 1 1 291.398 3.575 20 30 CHEDMO C[C@H](CCC#N)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000602435609 1127578906 /nfs/dbraw/zinc/57/89/06/1127578906.db2.gz IMDVMUSOWHWXSW-HUUCEWRRSA-N 1 1 292.448 3.669 20 30 CHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@H](C)CCC#N ZINC000602441719 1127579749 /nfs/dbraw/zinc/57/97/49/1127579749.db2.gz XZXPUAAXXRMNGE-KSSFIOAISA-N 1 1 286.419 3.944 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602440522 1127580137 /nfs/dbraw/zinc/58/01/37/1127580137.db2.gz QFNOLOKRDDQGAO-SFHVURJKSA-N 1 1 277.371 3.599 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)CCC#N ZINC000602443318 1127580318 /nfs/dbraw/zinc/58/03/18/1127580318.db2.gz CENGOHATRVUGFK-MRXNPFEDSA-N 1 1 283.419 3.956 20 30 CHEDMO 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FKOMDASBRQGKJX-GOSISDBHSA-N 1 1 275.436 3.900 20 30 CHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437876376 1122662054 /nfs/dbraw/zinc/66/20/54/1122662054.db2.gz XJDXGVBITHGNBP-DOTOQJQBSA-N 1 1 292.467 3.502 20 30 CHEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000775573412 1122676482 /nfs/dbraw/zinc/67/64/82/1122676482.db2.gz YHPKLRSQASTTOH-QOKNQOGYSA-N 1 1 295.382 3.778 20 30 CHEDMO C#C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000775572642 1122678662 /nfs/dbraw/zinc/67/86/62/1122678662.db2.gz BYXFLLGNQNPRBC-LEWSCRJBSA-N 1 1 298.213 3.825 20 30 CHEDMO CCCCCCCC[NH2+][C@H](CC)c1noc(C)n1 ZINC001193240496 1122682265 /nfs/dbraw/zinc/68/22/65/1122682265.db2.gz UIPUOKGBNSELKV-CYBMUJFWSA-N 1 1 253.390 3.779 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000438174098 1122683431 /nfs/dbraw/zinc/68/34/31/1122683431.db2.gz GBVUFUVJHQUCER-FRFSOERESA-N 1 1 284.403 3.720 20 30 CHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCc1cccs1 ZINC000438193775 1122686362 /nfs/dbraw/zinc/68/63/62/1122686362.db2.gz WDFJRAPIBLSVSI-UHFFFAOYSA-N 1 1 289.831 3.928 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1Cl ZINC000506219714 1122696586 /nfs/dbraw/zinc/69/65/86/1122696586.db2.gz MYBAOPJYSHEDII-ZDUSSCGKSA-N 1 1 297.851 3.842 20 30 CHEDMO CC[N@@H+](CC(C)(C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000426040797 1122707278 /nfs/dbraw/zinc/70/72/78/1122707278.db2.gz XSKYDYCIRIMVSY-CQSZACIVSA-N 1 1 274.408 3.614 20 30 CHEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC001205640179 1122710951 /nfs/dbraw/zinc/71/09/51/1122710951.db2.gz YTLHDOHTCJMSCF-MRXNPFEDSA-N 1 1 285.435 3.635 20 30 CHEDMO CCOc1c(Cl)cccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000426160988 1122727180 /nfs/dbraw/zinc/72/71/80/1122727180.db2.gz MLJKJHKIOZGFJR-UHFFFAOYSA-N 1 1 292.810 3.864 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1)Cc1c(C)cc(C)nc1C ZINC001194164921 1122752861 /nfs/dbraw/zinc/75/28/61/1122752861.db2.gz NSIUQTZGEKPELW-UHFFFAOYSA-N 1 1 278.399 3.642 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1c(C)cc(C)nc1C ZINC001194164921 1122752868 /nfs/dbraw/zinc/75/28/68/1122752868.db2.gz NSIUQTZGEKPELW-UHFFFAOYSA-N 1 1 278.399 3.642 20 30 CHEDMO C=CCOC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001194319319 1122764617 /nfs/dbraw/zinc/76/46/17/1122764617.db2.gz VFGANWYHMJAXEA-UHFFFAOYSA-N 1 1 299.374 3.789 20 30 CHEDMO CO[C@H]1C[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)C12CCC2 ZINC001194385810 1122770856 /nfs/dbraw/zinc/77/08/56/1122770856.db2.gz SXXZWSPODMHFBM-HOTGVXAUSA-N 1 1 290.451 3.740 20 30 CHEDMO N#CC1(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)CC1 ZINC000439335353 1122771182 /nfs/dbraw/zinc/77/11/82/1122771182.db2.gz ZVCFIKSLOAUKQV-UHFFFAOYSA-N 1 1 292.785 3.904 20 30 CHEDMO C#CC[N@H+](Cc1ccccc1OCc1ccccc1)C1CC1 ZINC001194436216 1122777485 /nfs/dbraw/zinc/77/74/85/1122777485.db2.gz SATHTDITJIBNTL-UHFFFAOYSA-N 1 1 291.394 3.863 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1OCc1ccccc1)C1CC1 ZINC001194436216 1122777487 /nfs/dbraw/zinc/77/74/87/1122777487.db2.gz SATHTDITJIBNTL-UHFFFAOYSA-N 1 1 291.394 3.863 20 30 CHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000506614708 1122791273 /nfs/dbraw/zinc/79/12/73/1122791273.db2.gz VRKKGALJOMRKBD-UHFFFAOYSA-N 1 1 276.383 3.765 20 30 CHEDMO CCCCCCCCOC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001194740386 1122794030 /nfs/dbraw/zinc/79/40/30/1122794030.db2.gz JNCZBLCICPERRH-INIZCTEOSA-N 1 1 296.455 3.654 20 30 CHEDMO CC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCS1 ZINC000426446258 1122795032 /nfs/dbraw/zinc/79/50/32/1122795032.db2.gz VKARTRBSLGBYPO-HNNXBMFYSA-N 1 1 279.836 3.519 20 30 CHEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCS1 ZINC000426446258 1122795034 /nfs/dbraw/zinc/79/50/34/1122795034.db2.gz VKARTRBSLGBYPO-HNNXBMFYSA-N 1 1 279.836 3.519 20 30 CHEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001194753958 1122797083 /nfs/dbraw/zinc/79/70/83/1122797083.db2.gz XGDULGTVGJAJPO-INIZCTEOSA-N 1 1 296.455 3.557 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426481502 1122802238 /nfs/dbraw/zinc/80/22/38/1122802238.db2.gz ALLHCARHNUJYKP-ZBFHGGJFSA-N 1 1 259.780 3.566 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000426553801 1122821127 /nfs/dbraw/zinc/82/11/27/1122821127.db2.gz RLZQGDSNVPQQPD-LBPRGKRZSA-N 1 1 264.438 3.981 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(CCC)cs1 ZINC000426564962 1122822012 /nfs/dbraw/zinc/82/20/12/1122822012.db2.gz JTJLLOBOYXQRAZ-ZDUSSCGKSA-N 1 1 250.411 3.636 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CCC)cs1 ZINC000426564962 1122822016 /nfs/dbraw/zinc/82/20/16/1122822016.db2.gz JTJLLOBOYXQRAZ-ZDUSSCGKSA-N 1 1 250.411 3.636 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC001195224667 1122856792 /nfs/dbraw/zinc/85/67/92/1122856792.db2.gz MUBSRMDFPBYYJU-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894469769 1122859525 /nfs/dbraw/zinc/85/95/25/1122859525.db2.gz PVZKNYOWNVBLEU-JTQLQIEISA-N 1 1 279.796 3.732 20 30 CHEDMO Cc1ccc(C[N@H+](CCOCCC#N)CC(C)C)c(C)c1 ZINC001195414031 1122866413 /nfs/dbraw/zinc/86/64/13/1122866413.db2.gz VENINEJTFTYODG-UHFFFAOYSA-N 1 1 288.435 3.692 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000229150421 1122867674 /nfs/dbraw/zinc/86/76/74/1122867674.db2.gz UMPHSFFQRDJZKK-DOTOQJQBSA-N 1 1 254.377 3.631 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cn2c(n1)CCCC2)c1ccncc1 ZINC000925075597 1122872868 /nfs/dbraw/zinc/87/28/68/1122872868.db2.gz QSCFSCXUWROMHX-GOEBONIOSA-N 1 1 296.418 3.582 20 30 CHEDMO C=CC[C@H]([NH2+][C@@H](C)c1cn2c(n1)CCCC2)c1ccncc1 ZINC000925075602 1122872937 /nfs/dbraw/zinc/87/29/37/1122872937.db2.gz QSCFSCXUWROMHX-HOCLYGCPSA-N 1 1 296.418 3.582 20 30 CHEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)c(C(F)(F)F)c1 ZINC001195834055 1122891708 /nfs/dbraw/zinc/89/17/08/1122891708.db2.gz JXZWGKBTJNVDQK-UKRRQHHQSA-N 1 1 294.320 3.951 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC001195946107 1122899593 /nfs/dbraw/zinc/89/95/93/1122899593.db2.gz HAUAWCLZVPVLAC-INIZCTEOSA-N 1 1 286.419 3.530 20 30 CHEDMO C=C(CC)C[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001196012836 1122902234 /nfs/dbraw/zinc/90/22/34/1122902234.db2.gz GCULXSOXMAGSRB-UHFFFAOYSA-N 1 1 297.324 3.980 20 30 CHEDMO C=C(CC)C[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001196012836 1122902237 /nfs/dbraw/zinc/90/22/37/1122902237.db2.gz GCULXSOXMAGSRB-UHFFFAOYSA-N 1 1 297.324 3.980 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC001196293792 1122916158 /nfs/dbraw/zinc/91/61/58/1122916158.db2.gz POWAQEYEQXRYTP-UHFFFAOYSA-N 1 1 260.768 3.896 20 30 CHEDMO C=C(C)C[N@@H+](C)CCSc1cccc(Cl)c1 ZINC001196293151 1122916604 /nfs/dbraw/zinc/91/66/04/1122916604.db2.gz HXKTYVJZXSOMPK-UHFFFAOYSA-N 1 1 255.814 3.940 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC001196442658 1122920611 /nfs/dbraw/zinc/92/06/11/1122920611.db2.gz SJEDTCGBHRXZKA-OAHLLOKOSA-N 1 1 293.451 3.787 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC001196440765 1122920798 /nfs/dbraw/zinc/92/07/98/1122920798.db2.gz HHTPYRVJTXTXIC-LLVKDONJSA-N 1 1 298.199 3.986 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1OC ZINC000507122213 1122927283 /nfs/dbraw/zinc/92/72/83/1122927283.db2.gz SEZVFNPXGZKSGT-MRXNPFEDSA-N 1 1 289.419 3.880 20 30 CHEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC000427023242 1122936157 /nfs/dbraw/zinc/93/61/57/1122936157.db2.gz MRRNJOJLUIJDSW-CHWSQXEVSA-N 1 1 279.836 3.517 20 30 CHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000507198363 1122936377 /nfs/dbraw/zinc/93/63/77/1122936377.db2.gz VYDRQIBCPNHDMZ-GOSISDBHSA-N 1 1 276.383 3.856 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000507198364 1122936437 /nfs/dbraw/zinc/93/64/37/1122936437.db2.gz VYDRQIBCPNHDMZ-SFHVURJKSA-N 1 1 276.383 3.856 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000507242490 1122942260 /nfs/dbraw/zinc/94/22/60/1122942260.db2.gz GEWXUPLPSWNDPF-HOCLYGCPSA-N 1 1 254.377 3.907 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000507584516 1122966591 /nfs/dbraw/zinc/96/65/91/1122966591.db2.gz RJZHHCRRYJAZEL-MRXNPFEDSA-N 1 1 278.399 3.910 20 30 CHEDMO CC[N@@H+](C/C(C)=C/c1ccccc1COC)C[C@@H](C)C#N ZINC000507586222 1122967407 /nfs/dbraw/zinc/96/74/07/1122967407.db2.gz VWINIQFGNVABGA-KMPOOHAWSA-N 1 1 286.419 3.718 20 30 CHEDMO CC[N@H+](C/C(C)=C/c1ccccc1COC)C[C@@H](C)C#N ZINC000507586222 1122967410 /nfs/dbraw/zinc/96/74/10/1122967410.db2.gz VWINIQFGNVABGA-KMPOOHAWSA-N 1 1 286.419 3.718 20 30 CHEDMO C#CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@H]1CCCc2ccccc21 ZINC001198105351 1122981844 /nfs/dbraw/zinc/98/18/44/1122981844.db2.gz WXFVQIATIUEWNL-MJGOQNOKSA-N 1 1 297.442 3.957 20 30 CHEDMO CCCCCCCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC001198239495 1122984481 /nfs/dbraw/zinc/98/44/81/1122984481.db2.gz DLOHKKOUXKORRH-IAGOWNOFSA-N 1 1 283.456 3.617 20 30 CHEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cccc(Cl)c1 ZINC001198457585 1122992266 /nfs/dbraw/zinc/99/22/66/1122992266.db2.gz CUNCPBSHVVRQEU-UHFFFAOYSA-N 1 1 294.826 3.957 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001198458571 1122992425 /nfs/dbraw/zinc/99/24/25/1122992425.db2.gz VFTZGORSZFKTJS-HNNXBMFYSA-N 1 1 285.790 3.801 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685838 1123006544 /nfs/dbraw/zinc/00/65/44/1123006544.db2.gz OYDSOVCKHJVLBH-HZPDHXFCSA-N 1 1 278.440 3.740 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)cc1 ZINC001198704266 1123007577 /nfs/dbraw/zinc/00/75/77/1123007577.db2.gz AIMZWRIHIZOMJH-GOSISDBHSA-N 1 1 268.404 3.960 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](C3CCCC3)C2)cc1 ZINC001198705569 1123009000 /nfs/dbraw/zinc/00/90/00/1123009000.db2.gz LMWRNYKBNVTQOZ-SFHVURJKSA-N 1 1 298.430 3.991 20 30 CHEDMO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(C#N)CC1 ZINC000519674134 1123013824 /nfs/dbraw/zinc/01/38/24/1123013824.db2.gz PLXCMENDCXKPRP-WQLSENKSSA-N 1 1 292.329 3.585 20 30 CHEDMO C=C(C)C[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441230105 1123070591 /nfs/dbraw/zinc/07/05/91/1123070591.db2.gz UYJXZSKDKWBXQG-ZIAGYGMSSA-N 1 1 281.827 3.530 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000155131749 1129098606 /nfs/dbraw/zinc/09/86/06/1129098606.db2.gz LCHJTXSGXQMBFC-OAHLLOKOSA-N 1 1 274.408 3.528 20 30 CHEDMO CSc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000049091579 1123096664 /nfs/dbraw/zinc/09/66/64/1123096664.db2.gz WZVCJAAIJJXBGW-UHFFFAOYSA-N 1 1 282.412 3.912 20 30 CHEDMO N#CCC[C@H]([NH2+]Cc1cccc(F)c1N)c1ccccc1 ZINC001201556841 1123120847 /nfs/dbraw/zinc/12/08/47/1123120847.db2.gz AXYUBNHMNVHPGD-INIZCTEOSA-N 1 1 283.350 3.543 20 30 CHEDMO CCCCCCCCCCC[N@@H+](C)CCC(=O)NC ZINC001201630474 1123129264 /nfs/dbraw/zinc/12/92/64/1123129264.db2.gz AGLPRXLYTGIDRP-UHFFFAOYSA-N 1 1 270.461 3.585 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC)C[C@H]1C ZINC001201852665 1123152475 /nfs/dbraw/zinc/15/24/75/1123152475.db2.gz GRHYUGVXTSORCT-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCCN1CC[N@H+](CC)C[C@H]1C ZINC001201852665 1123152476 /nfs/dbraw/zinc/15/24/76/1123152476.db2.gz GRHYUGVXTSORCT-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCCN1CC[N@@H+](CC)C[C@H]1C ZINC001201852665 1123152478 /nfs/dbraw/zinc/15/24/78/1123152478.db2.gz GRHYUGVXTSORCT-MRXNPFEDSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cc(C)nn1C ZINC001201826436 1123153082 /nfs/dbraw/zinc/15/30/82/1123153082.db2.gz WNHSSRLLHNBQDE-UHFFFAOYSA-N 1 1 251.418 3.521 20 30 CHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCCCCC)CCO2 ZINC001201750522 1123145051 /nfs/dbraw/zinc/14/50/51/1123145051.db2.gz NKZOPTFMWHXJCU-ZWKOTPCHSA-N 1 1 295.467 3.640 20 30 CHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCCCCC)C2 ZINC001201746530 1123145180 /nfs/dbraw/zinc/14/51/80/1123145180.db2.gz KRBDZPRVYGCKHN-QZTJIDSGSA-N 1 1 295.467 3.640 20 30 CHEDMO CCCCCCC[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001201761540 1123147742 /nfs/dbraw/zinc/14/77/42/1123147742.db2.gz IPNVLTVVQLKMPZ-UHFFFAOYSA-N 1 1 256.393 3.887 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001201761534 1123147890 /nfs/dbraw/zinc/14/78/90/1123147890.db2.gz ILDIJXIHKJMFAR-CHWSQXEVSA-N 1 1 299.352 3.684 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001201804091 1123150645 /nfs/dbraw/zinc/15/06/45/1123150645.db2.gz APTBAIRJTSDCPK-HZPDHXFCSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201776800 1123151473 /nfs/dbraw/zinc/15/14/73/1123151473.db2.gz LXFLSLKAQWTWER-SJORKVTESA-N 1 1 294.483 3.536 20 30 CHEDMO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001201776297 1123151487 /nfs/dbraw/zinc/15/14/87/1123151487.db2.gz ANZZEYLDVKWHPN-PMPSAXMXSA-N 1 1 253.430 3.704 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001201853036 1123151855 /nfs/dbraw/zinc/15/18/55/1123151855.db2.gz YTRKJVHDCVNENW-KZNAEPCWSA-N 1 1 297.483 3.599 20 30 CHEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001201787607 1123152591 /nfs/dbraw/zinc/15/25/91/1123152591.db2.gz GBYIXLCNTUSGAF-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001201787607 1123152594 /nfs/dbraw/zinc/15/25/94/1123152594.db2.gz GBYIXLCNTUSGAF-QGZVFWFLSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001201825841 1123153022 /nfs/dbraw/zinc/15/30/22/1123153022.db2.gz FWAZGORHJZZBAD-GOSISDBHSA-N 1 1 294.483 3.824 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001201838640 1123154223 /nfs/dbraw/zinc/15/42/23/1123154223.db2.gz AHUKUHKBCIQTGP-CVEARBPZSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC001201840415 1123154879 /nfs/dbraw/zinc/15/48/79/1123154879.db2.gz ZUSCSOVWLAVPOE-INIZCTEOSA-N 1 1 253.430 3.849 20 30 CHEDMO CCCCCCCC[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001201840225 1123155042 /nfs/dbraw/zinc/15/50/42/1123155042.db2.gz PMLCIMQEZOHWCC-UHFFFAOYSA-N 1 1 262.397 3.506 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(C#N)ccc1OC ZINC000155675900 1129104183 /nfs/dbraw/zinc/10/41/83/1129104183.db2.gz CPUDGCCTVHUFAY-UHFFFAOYSA-N 1 1 298.411 3.817 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1OC ZINC000155675900 1129104184 /nfs/dbraw/zinc/10/41/84/1129104184.db2.gz CPUDGCCTVHUFAY-UHFFFAOYSA-N 1 1 298.411 3.817 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCO[C@@H](CC)C1 ZINC000507804424 1123212159 /nfs/dbraw/zinc/21/21/59/1123212159.db2.gz NDCITQMKTNLBSJ-HOTGVXAUSA-N 1 1 253.430 3.870 20 30 CHEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCC1(F)F ZINC001252141192 1123229251 /nfs/dbraw/zinc/22/92/51/1123229251.db2.gz XDOOQOPYRUGZQG-UONOGXRCSA-N 1 1 277.399 3.875 20 30 CHEDMO CC[N@@H+](CCC1(OC)CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000338927126 1123232075 /nfs/dbraw/zinc/23/20/75/1123232075.db2.gz UNKDTMIGQOXTFX-HNNXBMFYSA-N 1 1 286.419 3.900 20 30 CHEDMO C=C(C)[C@H]([NH2+]C/C=C/Cl)c1ccc(F)c(F)c1 ZINC000187764442 1123237407 /nfs/dbraw/zinc/23/74/07/1123237407.db2.gz WPLNFSYIFNSTSK-YIALFULDSA-N 1 1 257.711 3.924 20 30 CHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000428225264 1123280925 /nfs/dbraw/zinc/28/09/25/1123280925.db2.gz BAZWRYDOQIDFDR-CQSZACIVSA-N 1 1 298.336 3.826 20 30 CHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000428233085 1123282772 /nfs/dbraw/zinc/28/27/72/1123282772.db2.gz XNBKLBACVMVFBM-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000442841736 1123343128 /nfs/dbraw/zinc/34/31/28/1123343128.db2.gz ASHRDUGMLKYKAR-IYOUNJFTSA-N 1 1 296.370 3.659 20 30 CHEDMO COc1cc(C[N@H+]2CCCCC(C)(C)C2)ccc1C#N ZINC000443069069 1123353457 /nfs/dbraw/zinc/35/34/57/1123353457.db2.gz ONNGADFXJBOSLJ-UHFFFAOYSA-N 1 1 272.392 3.579 20 30 CHEDMO C#CC[N@H+](Cc1cc(C2CC2)no1)[C@@H]1CCc2ccccc21 ZINC000851736733 1123377189 /nfs/dbraw/zinc/37/71/89/1123377189.db2.gz VREJLYBDMNWXCU-LJQANCHMSA-N 1 1 292.382 3.675 20 30 CHEDMO C#CC[N@@H+](Cc1cc(C2CC2)no1)[C@@H]1CCc2ccccc21 ZINC000851736733 1123377192 /nfs/dbraw/zinc/37/71/92/1123377192.db2.gz VREJLYBDMNWXCU-LJQANCHMSA-N 1 1 292.382 3.675 20 30 CHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCCCC#N)C2)cc1 ZINC000369620491 1123389944 /nfs/dbraw/zinc/38/99/44/1123389944.db2.gz XQWMBVXAOCDHDB-KRWDZBQOSA-N 1 1 286.419 3.644 20 30 CHEDMO COc1ccc(C[C@H]2CCC[N@@H+](CCCCC#N)C2)cc1 ZINC000369620496 1123390323 /nfs/dbraw/zinc/39/03/23/1123390323.db2.gz XQWMBVXAOCDHDB-QGZVFWFLSA-N 1 1 286.419 3.644 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2C)o1 ZINC000852101912 1123396758 /nfs/dbraw/zinc/39/67/58/1123396758.db2.gz IIASFLVMSPFJBM-QGZVFWFLSA-N 1 1 268.360 3.542 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000852098757 1123397115 /nfs/dbraw/zinc/39/71/15/1123397115.db2.gz VEXNGODDYKYROX-MRXNPFEDSA-N 1 1 288.778 3.887 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(C2CCCC2)n1 ZINC000852099038 1123397507 /nfs/dbraw/zinc/39/75/07/1123397507.db2.gz CDRVNCSBYCDVFX-HNNXBMFYSA-N 1 1 262.422 3.692 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCC2CCC2)C1 ZINC000852330094 1123403396 /nfs/dbraw/zinc/40/33/96/1123403396.db2.gz BPCNKWHGTCSBID-SFHVURJKSA-N 1 1 283.419 3.519 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCC2CCC2)C1 ZINC000852330094 1123403399 /nfs/dbraw/zinc/40/33/99/1123403399.db2.gz BPCNKWHGTCSBID-SFHVURJKSA-N 1 1 283.419 3.519 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000852410604 1123404571 /nfs/dbraw/zinc/40/45/71/1123404571.db2.gz OGMOTGWCZKMLEJ-HNNXBMFYSA-N 1 1 281.403 3.726 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)nc(Cl)c1)C(C)(C)C ZINC000852554878 1123407760 /nfs/dbraw/zinc/40/77/60/1123407760.db2.gz XZZPCKBAMVUWAM-UHFFFAOYSA-N 1 1 252.789 3.830 20 30 CHEDMO CC[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)C(C)C ZINC000852690368 1123412876 /nfs/dbraw/zinc/41/28/76/1123412876.db2.gz AZWVVHUZGWMGSK-KRWDZBQOSA-N 1 1 274.408 3.778 20 30 CHEDMO Cc1cccc2nc(C3CC[NH+](CC4(C#N)CC4)CC3)oc21 ZINC000335749284 1123422604 /nfs/dbraw/zinc/42/26/04/1123422604.db2.gz OTPDLXWADNUCHA-UHFFFAOYSA-N 1 1 295.386 3.619 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000853525322 1123442738 /nfs/dbraw/zinc/44/27/38/1123442738.db2.gz CUQHHSQOKDHSIF-CQSZACIVSA-N 1 1 280.371 3.671 20 30 CHEDMO CC(C)CC(N)=[NH+]OCc1ccc(C#N)cc1C(F)(F)F ZINC000853659777 1123445841 /nfs/dbraw/zinc/44/58/41/1123445841.db2.gz MHJNLDJLROJYTL-UHFFFAOYSA-N 1 1 299.296 3.622 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474156264 1123472964 /nfs/dbraw/zinc/47/29/64/1123472964.db2.gz UIECMIZIGJJXCV-INIZCTEOSA-N 1 1 279.399 3.753 20 30 CHEDMO CC(C)c1cccc2c1OCCCC2=NNc1cc[nH+]cc1 ZINC000779809133 1129126886 /nfs/dbraw/zinc/12/68/86/1129126886.db2.gz UCVWPYPQDULTMJ-UHFFFAOYSA-N 1 1 295.386 3.616 20 30 CHEDMO Cc1cc2ccccc2nc1N=NC1C[C@H](C)[N@H+](C2CC2)C1 ZINC000776783433 1123505859 /nfs/dbraw/zinc/50/58/59/1123505859.db2.gz AXFKALNEJORNAS-ZDUSSCGKSA-N 1 1 294.402 3.568 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1F ZINC000776789379 1123506007 /nfs/dbraw/zinc/50/60/07/1123506007.db2.gz HQHLUNYDHDPNIB-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000399008331 1123508031 /nfs/dbraw/zinc/50/80/31/1123508031.db2.gz VTZSYTWQWLSSTI-WMLDXEAASA-N 1 1 256.393 3.763 20 30 CHEDMO CSc1ccc(C(C)=NNc2cc[nH+]cc2)c(Cl)c1 ZINC000779809823 1129127294 /nfs/dbraw/zinc/12/72/94/1129127294.db2.gz VMDXSLPEORVGDG-UHFFFAOYSA-N 1 1 291.807 3.715 20 30 CHEDMO CC(=NNc1cc[nH+]cc1)c1ccc(-c2ccccc2)o1 ZINC000779811789 1129127452 /nfs/dbraw/zinc/12/74/52/1129127452.db2.gz JGLIYYLVCJCAFD-UHFFFAOYSA-N 1 1 277.327 3.600 20 30 CHEDMO COc1ccc2cc(C(C)=NNc3cc[nH+]cc3)ccc2c1 ZINC000779811212 1129127664 /nfs/dbraw/zinc/12/76/64/1129127664.db2.gz MVWBJZRGIIBMPX-UHFFFAOYSA-N 1 1 291.354 3.501 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000896232645 1123563517 /nfs/dbraw/zinc/56/35/17/1123563517.db2.gz PQHQOXNDLGPLBL-FUHWJXTLSA-N 1 1 268.404 3.590 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000856827457 1123571602 /nfs/dbraw/zinc/57/16/02/1123571602.db2.gz SEPBEVRTMXRHFT-UHFFFAOYSA-N 1 1 260.768 3.896 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C#N)C2)s1 ZINC000338999956 1123572505 /nfs/dbraw/zinc/57/25/05/1123572505.db2.gz LNNRAGJZMUOSMC-IHRRRGAJSA-N 1 1 260.406 3.886 20 30 CHEDMO C=C(C)CN1CCC([NH2+]Cc2c(F)cccc2CC)CC1 ZINC000474710520 1123575503 /nfs/dbraw/zinc/57/55/03/1123575503.db2.gz QCJDOEUAGMGEHJ-UHFFFAOYSA-N 1 1 290.426 3.518 20 30 CHEDMO COc1ccc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC000896503489 1123591265 /nfs/dbraw/zinc/59/12/65/1123591265.db2.gz PUSPDHQYRCFGCW-OAHLLOKOSA-N 1 1 280.371 3.584 20 30 CHEDMO COc1ccc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC000896503489 1123591269 /nfs/dbraw/zinc/59/12/69/1123591269.db2.gz PUSPDHQYRCFGCW-OAHLLOKOSA-N 1 1 280.371 3.584 20 30 CHEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CCOCCC#N)o1 ZINC000339004287 1123597266 /nfs/dbraw/zinc/59/72/66/1123597266.db2.gz VBJSWOHCDYGAQS-MRXNPFEDSA-N 1 1 290.407 3.689 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)CC1CCC1 ZINC000339004521 1123598716 /nfs/dbraw/zinc/59/87/16/1123598716.db2.gz FONZGIAOWJWVEJ-INIZCTEOSA-N 1 1 286.419 3.780 20 30 CHEDMO C[N@@H+](Cc1cc(Br)ccc1C#N)C1CCCC1 ZINC001141903051 1123602760 /nfs/dbraw/zinc/60/27/60/1123602760.db2.gz OLCQXYHDYFTDQF-UHFFFAOYSA-N 1 1 293.208 3.695 20 30 CHEDMO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857866632 1123623095 /nfs/dbraw/zinc/62/30/95/1123623095.db2.gz CYYGQMCFGYECOQ-IAGOWNOFSA-N 1 1 294.402 3.812 20 30 CHEDMO C#CC[C@H]([NH2+][C@H](C)c1nc(C)cs1)c1ccccc1 ZINC000858383648 1123649569 /nfs/dbraw/zinc/64/95/69/1123649569.db2.gz ZTFVDSWIXDGXOT-HIFRSBDPSA-N 1 1 270.401 3.867 20 30 CHEDMO Cc1cc[nH+]c(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000896864745 1123652438 /nfs/dbraw/zinc/65/24/38/1123652438.db2.gz NHDDJJNDEJUCLY-UHFFFAOYSA-N 1 1 277.371 3.646 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000158049494 1129137148 /nfs/dbraw/zinc/13/71/48/1129137148.db2.gz VWZUQINVLWOWNR-AWEZNQCLSA-N 1 1 272.392 3.599 20 30 CHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccns1 ZINC000858578088 1123664840 /nfs/dbraw/zinc/66/48/40/1123664840.db2.gz SZGMLVFDRJBGHE-NXEZZACHSA-N 1 1 275.352 3.566 20 30 CHEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCOCCC#N)o1 ZINC000339012655 1123669767 /nfs/dbraw/zinc/66/97/67/1123669767.db2.gz UIHRDFLFDHCIRD-GOEBONIOSA-N 1 1 290.407 3.545 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000428325390 1123730498 /nfs/dbraw/zinc/73/04/98/1123730498.db2.gz MUUYFHUBXVMRCS-SFHVURJKSA-N 1 1 280.346 3.938 20 30 CHEDMO N#CCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000346941420 1123733599 /nfs/dbraw/zinc/73/35/99/1123733599.db2.gz MHMUAMANSDZSCL-UHFFFAOYSA-N 1 1 260.356 3.526 20 30 CHEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC001307484228 1123735715 /nfs/dbraw/zinc/73/57/15/1123735715.db2.gz CLJDDJRFPZXXEI-MRXNPFEDSA-N 1 1 277.408 3.962 20 30 CHEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC001307484228 1123735717 /nfs/dbraw/zinc/73/57/17/1123735717.db2.gz CLJDDJRFPZXXEI-MRXNPFEDSA-N 1 1 277.408 3.962 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000346954580 1123735846 /nfs/dbraw/zinc/73/58/46/1123735846.db2.gz AJFTVTPFGSHDNR-UHFFFAOYSA-N 1 1 270.376 3.557 20 30 CHEDMO N#CC1(CC[N@H+]2CCCC3(CCOCC3)C2)CCCCC1 ZINC000336283408 1123756817 /nfs/dbraw/zinc/75/68/17/1123756817.db2.gz IEOYALKSVFVGDN-UHFFFAOYSA-N 1 1 290.451 3.743 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000759430080 1123765764 /nfs/dbraw/zinc/76/57/64/1123765764.db2.gz JRDUDYPUQSVLEF-MRXNPFEDSA-N 1 1 263.429 3.836 20 30 CHEDMO C=CC[N@H+](CCCCCOC)Cc1ccccc1F ZINC000103226839 1123782603 /nfs/dbraw/zinc/78/26/03/1123782603.db2.gz WDRQVCAJQSXIAX-UHFFFAOYSA-N 1 1 265.372 3.630 20 30 CHEDMO C#CC[N@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000862213114 1123792977 /nfs/dbraw/zinc/79/29/77/1123792977.db2.gz VPRHFVWJMAZBCP-GOSISDBHSA-N 1 1 292.382 3.675 20 30 CHEDMO C#CC[N@@H+](Cc1cnc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000862213114 1123792980 /nfs/dbraw/zinc/79/29/80/1123792980.db2.gz VPRHFVWJMAZBCP-GOSISDBHSA-N 1 1 292.382 3.675 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000862442303 1123809769 /nfs/dbraw/zinc/80/97/69/1123809769.db2.gz BKRROJIAFFLPFV-GFCCVEGCSA-N 1 1 267.294 3.551 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000186169655 1123810316 /nfs/dbraw/zinc/81/03/16/1123810316.db2.gz DDHTZDRRSPBDTQ-CYBMUJFWSA-N 1 1 254.377 3.630 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000862444541 1123811561 /nfs/dbraw/zinc/81/15/61/1123811561.db2.gz BQFCLGJTYUOBQO-MRXNPFEDSA-N 1 1 276.383 3.594 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000862445495 1123811611 /nfs/dbraw/zinc/81/16/11/1123811611.db2.gz VETDYRPSRVICSI-QGZVFWFLSA-N 1 1 271.404 3.581 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000862445675 1123811920 /nfs/dbraw/zinc/81/19/20/1123811920.db2.gz ZKTVNISRFFNXAJ-MRXNPFEDSA-N 1 1 276.383 3.594 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862443464 1123812051 /nfs/dbraw/zinc/81/20/51/1123812051.db2.gz PHEQXFIXAPZNID-KRWDZBQOSA-N 1 1 282.431 3.522 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000186225258 1123815219 /nfs/dbraw/zinc/81/52/19/1123815219.db2.gz CBVGUNHQGDAIDH-UHFFFAOYSA-N 1 1 254.377 3.774 20 30 CHEDMO C=CCOCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000339049179 1123838379 /nfs/dbraw/zinc/83/83/79/1123838379.db2.gz VGIQEFKZUXPTIV-HNNXBMFYSA-N 1 1 286.375 3.557 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc(C#N)cs1 ZINC000129737865 1123850512 /nfs/dbraw/zinc/85/05/12/1123850512.db2.gz WPSNKKXZGULRJH-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000129737865 1123850515 /nfs/dbraw/zinc/85/05/15/1123850515.db2.gz WPSNKKXZGULRJH-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO CC[N@@H+](CCCOC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000171499935 1123856582 /nfs/dbraw/zinc/85/65/82/1123856582.db2.gz VPPORJGYIFQOTN-OAHLLOKOSA-N 1 1 274.408 3.756 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccncc1 ZINC000609848145 1123867226 /nfs/dbraw/zinc/86/72/26/1123867226.db2.gz BYDMLTQMGBCJHC-OAHLLOKOSA-N 1 1 277.371 3.702 20 30 CHEDMO CC[C@H](C#N)Oc1cccc(CNc2cc(C)cc[nH+]2)c1 ZINC000301622656 1123918720 /nfs/dbraw/zinc/91/87/20/1123918720.db2.gz FXJRXQIEHXOGBG-OAHLLOKOSA-N 1 1 281.359 3.683 20 30 CHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccs1 ZINC000428349403 1123977213 /nfs/dbraw/zinc/97/72/13/1123977213.db2.gz VOLCDSJVCPKYCD-SNVBAGLBSA-N 1 1 260.337 3.610 20 30 CHEDMO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866216833 1124038704 /nfs/dbraw/zinc/03/87/04/1124038704.db2.gz VCMOVZSWICRRKR-OLZOCXBDSA-N 1 1 296.370 3.684 20 30 CHEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000444686742 1124051335 /nfs/dbraw/zinc/05/13/35/1124051335.db2.gz SVLXDIUVMOLBRW-UHFFFAOYSA-N 1 1 296.455 3.759 20 30 CHEDMO C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1cccc(C#N)c1O ZINC000866360073 1124057392 /nfs/dbraw/zinc/05/73/92/1124057392.db2.gz CGWBRTRHMPVMDQ-NSHDSACASA-N 1 1 279.343 3.709 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000428376350 1124059681 /nfs/dbraw/zinc/05/96/81/1124059681.db2.gz FISLXBHFDLZJJK-UHFFFAOYSA-N 1 1 288.372 3.941 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2occc2C(=O)OC)CCCC1(C)C ZINC000444780847 1124060061 /nfs/dbraw/zinc/06/00/61/1124060061.db2.gz GFMULIQLLFQHSQ-OAHLLOKOSA-N 1 1 291.391 3.633 20 30 CHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000444773906 1124062803 /nfs/dbraw/zinc/06/28/03/1124062803.db2.gz TZWWDVYXYSDKOW-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C)n2CCC)CCCC1(C)C ZINC000444777496 1124063795 /nfs/dbraw/zinc/06/37/95/1124063795.db2.gz FUHPDSYFHFXHBG-OAHLLOKOSA-N 1 1 290.455 3.563 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000508543124 1124102855 /nfs/dbraw/zinc/10/28/55/1124102855.db2.gz TVNWDGKEJPWXFT-UHFFFAOYSA-N 1 1 267.372 3.883 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000508558311 1124110740 /nfs/dbraw/zinc/11/07/40/1124110740.db2.gz AGKHIQDFPRUDFC-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C=CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000508558311 1124110743 /nfs/dbraw/zinc/11/07/43/1124110743.db2.gz AGKHIQDFPRUDFC-UHFFFAOYSA-N 1 1 291.398 3.831 20 30 CHEDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)CC1(C)C ZINC000428442330 1124113844 /nfs/dbraw/zinc/11/38/44/1124113844.db2.gz MFYLSUOCBCZEAW-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)CC1(C)C ZINC000428442330 1124113845 /nfs/dbraw/zinc/11/38/45/1124113845.db2.gz MFYLSUOCBCZEAW-LBPRGKRZSA-N 1 1 260.356 3.565 20 30 CHEDMO Cc1cccc(OCC[N@@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428448256 1124116298 /nfs/dbraw/zinc/11/62/98/1124116298.db2.gz QZQULNCTVIMTCI-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO Cc1cccc(OCC[N@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428448256 1124116301 /nfs/dbraw/zinc/11/63/01/1124116301.db2.gz QZQULNCTVIMTCI-UHFFFAOYSA-N 1 1 298.361 3.517 20 30 CHEDMO CC[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446732987 1124119263 /nfs/dbraw/zinc/11/92/63/1124119263.db2.gz YNOIEVYVOKOAQO-CYBMUJFWSA-N 1 1 281.321 3.789 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000525328476 1124122675 /nfs/dbraw/zinc/12/26/75/1124122675.db2.gz AHAVZZYBCLJLTC-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000525328476 1124122677 /nfs/dbraw/zinc/12/26/77/1124122677.db2.gz AHAVZZYBCLJLTC-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2cncs2)CCCC1(C)C ZINC000446827694 1124124452 /nfs/dbraw/zinc/12/44/52/1124124452.db2.gz PVIGZEPWNZLWCQ-ZDUSSCGKSA-N 1 1 250.411 3.710 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cnc3n[nH]c(C)c3c2)CCCC1(C)C ZINC000446831784 1124124779 /nfs/dbraw/zinc/12/47/79/1124124779.db2.gz ITSWCHJXHVVSFS-MRXNPFEDSA-N 1 1 298.434 3.833 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428457052 1124128024 /nfs/dbraw/zinc/12/80/24/1124128024.db2.gz LRQMVCOVTVSQBS-GOEBONIOSA-N 1 1 257.377 3.626 20 30 CHEDMO CCC(C)(C)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000441169406 1124129297 /nfs/dbraw/zinc/12/92/97/1124129297.db2.gz BSDYZQGVARXJIJ-UHFFFAOYSA-N 1 1 299.462 3.897 20 30 CHEDMO C=CCC[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000635012923 1129170536 /nfs/dbraw/zinc/17/05/36/1129170536.db2.gz XCQDAIMYDIOGGX-GOSISDBHSA-N 1 1 296.414 3.722 20 30 CHEDMO CCc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)ccc1C#N ZINC001238778324 1131244442 /nfs/dbraw/zinc/24/44/42/1131244442.db2.gz LONYNAVNMAEYOM-UHFFFAOYSA-N 1 1 294.373 3.818 20 30 CHEDMO CCc1cc(C[N@H+]2CCc3ccc(F)cc3C2)ccc1C#N ZINC001238778324 1131244447 /nfs/dbraw/zinc/24/44/47/1131244447.db2.gz LONYNAVNMAEYOM-UHFFFAOYSA-N 1 1 294.373 3.818 20 30 CHEDMO CC1(C)CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428486532 1124477792 /nfs/dbraw/zinc/47/77/92/1124477792.db2.gz ULCOZDOZZLWEMM-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511214 1124483690 /nfs/dbraw/zinc/48/36/90/1124483690.db2.gz SKPFORGXKYGIAD-LPHOPBHVSA-N 1 1 299.462 3.863 20 30 CHEDMO CC[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511214 1124483694 /nfs/dbraw/zinc/48/36/94/1124483694.db2.gz SKPFORGXKYGIAD-LPHOPBHVSA-N 1 1 299.462 3.863 20 30 CHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000448518344 1124582928 /nfs/dbraw/zinc/58/29/28/1124582928.db2.gz BSJFMEUKCRUPPN-UHFFFAOYSA-N 1 1 269.775 3.824 20 30 CHEDMO Cc1cnc([C@H]([NH2+]Cc2csc(C#N)c2)C2CC2)s1 ZINC001120008122 1131270489 /nfs/dbraw/zinc/27/04/89/1131270489.db2.gz KPMKRVNBHRGOIQ-CYBMUJFWSA-N 1 1 289.429 3.626 20 30 CHEDMO Cc1cc(C)c(CNc2ccc(F)cc2OCC#N)c(C)[nH+]1 ZINC000871830034 1124641332 /nfs/dbraw/zinc/64/13/32/1124641332.db2.gz XQSIYEUUPBXSKP-UHFFFAOYSA-N 1 1 299.349 3.660 20 30 CHEDMO Cc1cc(C)c(CNc2ccccc2O[C@@H](C)C#N)c(C)[nH+]1 ZINC000871832945 1124641842 /nfs/dbraw/zinc/64/18/42/1124641842.db2.gz HUZMZYGRXQWLCX-AWEZNQCLSA-N 1 1 295.386 3.910 20 30 CHEDMO Cc1cc(C)c(CNc2ccccc2O[C@H](C)C#N)c(C)[nH+]1 ZINC000871832946 1124642222 /nfs/dbraw/zinc/64/22/22/1124642222.db2.gz HUZMZYGRXQWLCX-CQSZACIVSA-N 1 1 295.386 3.910 20 30 CHEDMO CC(=O)c1cc(C#N)ccc1NCc1c(C)cc(C)[nH+]c1C ZINC000871837625 1124643534 /nfs/dbraw/zinc/64/35/34/1124643534.db2.gz NZCXBEUNDPGTON-UHFFFAOYSA-N 1 1 293.370 3.693 20 30 CHEDMO C=CCCCC[C@@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000449099471 1124646831 /nfs/dbraw/zinc/64/68/31/1124646831.db2.gz TXNAJJWWIBLYSF-OAHLLOKOSA-N 1 1 264.457 3.728 20 30 CHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)c2ccccc2C)no1 ZINC000872177460 1124698690 /nfs/dbraw/zinc/69/86/90/1124698690.db2.gz AENQNKKOSKFHSM-YPMHNXCESA-N 1 1 291.782 3.672 20 30 CHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCC2CCCCC2)no1 ZINC000872175612 1124698699 /nfs/dbraw/zinc/69/86/99/1124698699.db2.gz KCMOOEUTFSXNKF-LBPRGKRZSA-N 1 1 283.803 3.725 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)o1 ZINC000873155457 1124742765 /nfs/dbraw/zinc/74/27/65/1124742765.db2.gz LWSWGSNMUSYXBT-UHFFFAOYSA-N 1 1 286.278 3.521 20 30 CHEDMO C=CCC[C@@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449468484 1124751543 /nfs/dbraw/zinc/75/15/43/1124751543.db2.gz DRCLMNBDWRLMHS-OAHLLOKOSA-N 1 1 288.439 3.693 20 30 CHEDMO C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449486745 1124764584 /nfs/dbraw/zinc/76/45/84/1124764584.db2.gz VCHUNTSAMBVGRD-SJLPKXTDSA-N 1 1 286.463 3.699 20 30 CHEDMO CC(C)C1=[NH+]CCc2ccc(-c3cnc(C#N)c(F)c3)cc21 ZINC001238992536 1131287610 /nfs/dbraw/zinc/28/76/10/1131287610.db2.gz OUCUDQSXAGOZPZ-UHFFFAOYSA-N 1 1 293.345 3.761 20 30 CHEDMO C[N@@H+](Cc1ccc(/C=C/c2ccc(C#N)cc2)nc1)C1CC1 ZINC001239284456 1131310689 /nfs/dbraw/zinc/31/06/89/1131310689.db2.gz NCKITSKNQQLBPB-SOFGYWHQSA-N 1 1 289.382 3.718 20 30 CHEDMO C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001123422144 1131314223 /nfs/dbraw/zinc/31/42/23/1131314223.db2.gz XWAWGRVDVCSUHU-HNNXBMFYSA-N 1 1 298.390 3.605 20 30 CHEDMO C=C(Br)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000125152494 1124854566 /nfs/dbraw/zinc/85/45/66/1124854566.db2.gz SUEVXCPOEKUOTQ-SNVBAGLBSA-N 1 1 280.165 3.992 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CC1CC(F)(F)C1 ZINC000450297551 1124974136 /nfs/dbraw/zinc/97/41/36/1124974136.db2.gz JCKUXUGKSDCNDO-UHFFFAOYSA-N 1 1 265.347 3.762 20 30 CHEDMO C#CCCCCCC[N@H+](C)CCc1ncc(C)s1 ZINC000876780226 1124978349 /nfs/dbraw/zinc/97/83/49/1124978349.db2.gz SPCNQNIVBZWOIC-UHFFFAOYSA-N 1 1 264.438 3.510 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877182520 1125018802 /nfs/dbraw/zinc/01/88/02/1125018802.db2.gz MZXFKWQTYMHGMB-UHFFFAOYSA-N 1 1 289.766 3.607 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000877399252 1125025645 /nfs/dbraw/zinc/02/56/45/1125025645.db2.gz LLGKRYJSLVFUMJ-OLZOCXBDSA-N 1 1 278.346 3.694 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1CCCP(=O)(OCC)OCC ZINC000877482468 1125033598 /nfs/dbraw/zinc/03/35/98/1125033598.db2.gz FVKGPHYGWQNCAI-AWEZNQCLSA-N 1 1 289.356 3.683 20 30 CHEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@H]1c1cccc(F)c1 ZINC000450456552 1125034466 /nfs/dbraw/zinc/03/44/66/1125034466.db2.gz UBOUSAVJIWTOCC-CZUORRHYSA-N 1 1 272.367 3.902 20 30 CHEDMO Cc1ccccc1CC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877559155 1125045412 /nfs/dbraw/zinc/04/54/12/1125045412.db2.gz JGQWMROFNRJAKW-UHFFFAOYSA-N 1 1 299.805 3.590 20 30 CHEDMO Cc1ccccc1CC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877559155 1125045417 /nfs/dbraw/zinc/04/54/17/1125045417.db2.gz JGQWMROFNRJAKW-UHFFFAOYSA-N 1 1 299.805 3.590 20 30 CHEDMO C=CC[N@H+](Cc1ccc2nonc2c1)Cc1ccccc1F ZINC000821362453 1131327796 /nfs/dbraw/zinc/32/77/96/1131327796.db2.gz IHDLKYUTSYMEJM-UHFFFAOYSA-N 1 1 297.333 3.550 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2nonc2c1)Cc1ccccc1F ZINC000821362453 1131327800 /nfs/dbraw/zinc/32/78/00/1131327800.db2.gz IHDLKYUTSYMEJM-UHFFFAOYSA-N 1 1 297.333 3.550 20 30 CHEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000121144570 1125050914 /nfs/dbraw/zinc/05/09/14/1125050914.db2.gz RXJKOVYEOFOYFJ-UHFFFAOYSA-N 1 1 274.408 3.521 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000121144570 1125050924 /nfs/dbraw/zinc/05/09/24/1125050924.db2.gz RXJKOVYEOFOYFJ-UHFFFAOYSA-N 1 1 274.408 3.521 20 30 CHEDMO CC(C)(C)Oc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000877595200 1125051271 /nfs/dbraw/zinc/05/12/71/1125051271.db2.gz UZJVJAGEFZDHSO-UHFFFAOYSA-N 1 1 272.392 3.647 20 30 CHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001168123815 1125078463 /nfs/dbraw/zinc/07/84/63/1125078463.db2.gz BIWRPKVTUNGJQZ-YOEHRIQHSA-N 1 1 256.393 3.959 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000877810465 1125083959 /nfs/dbraw/zinc/08/39/59/1125083959.db2.gz GGHVFICIWXYWHS-YJBOKZPZSA-N 1 1 268.404 3.516 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000450672254 1125084401 /nfs/dbraw/zinc/08/44/01/1125084401.db2.gz HHLWFPLGVJWXQL-NSHDSACASA-N 1 1 293.208 3.794 20 30 CHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CC1(C#N)CCC1 ZINC000450756086 1125102088 /nfs/dbraw/zinc/10/20/88/1125102088.db2.gz KAKBYVMOWGFAQF-INIZCTEOSA-N 1 1 254.377 3.517 20 30 CHEDMO C#CCCCCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000878160248 1125125840 /nfs/dbraw/zinc/12/58/40/1125125840.db2.gz JWNKRBLHQYPILU-QRWLVFNGSA-N 1 1 291.460 3.610 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121681943 1125141059 /nfs/dbraw/zinc/14/10/59/1125141059.db2.gz IRHSDTSQFCLQHD-GOSISDBHSA-N 1 1 286.419 3.564 20 30 CHEDMO N#Cc1ccc([C@H](O)C[N@@H+](CC2CCCCC2)C2CC2)cc1 ZINC000127187358 1125159519 /nfs/dbraw/zinc/15/95/19/1125159519.db2.gz UXNKNBLVTMAKOM-LJQANCHMSA-N 1 1 298.430 3.636 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000878612371 1125165430 /nfs/dbraw/zinc/16/54/30/1125165430.db2.gz KUOHYSBYUUEIFW-HOCLYGCPSA-N 1 1 254.377 3.763 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127482341 1125195348 /nfs/dbraw/zinc/19/53/48/1125195348.db2.gz ZDJOZFDCSPNHRK-KBXCAEBGSA-N 1 1 295.386 3.643 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879243867 1125204462 /nfs/dbraw/zinc/20/44/62/1125204462.db2.gz MTUIQHDMVAIEGU-DLBZAZTESA-N 1 1 286.419 3.514 20 30 CHEDMO C=CCCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626125694 1125221144 /nfs/dbraw/zinc/22/11/44/1125221144.db2.gz UZSKJSGXXXAMQI-CQSZACIVSA-N 1 1 263.356 3.590 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000879731208 1125227932 /nfs/dbraw/zinc/22/79/32/1125227932.db2.gz 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ZINC001258732041 1129598084 /nfs/dbraw/zinc/59/80/84/1129598084.db2.gz ICKNVFSPMHDTQQ-ZIAGYGMSSA-N 1 1 267.413 3.537 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000304522851 1129598755 /nfs/dbraw/zinc/59/87/55/1129598755.db2.gz KPUVLIQXNIEJEG-KRWDZBQOSA-N 1 1 288.435 3.680 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc2ncccc12 ZINC001137628070 1131386718 /nfs/dbraw/zinc/38/67/18/1131386718.db2.gz MFEPSSYATBTTMU-UHFFFAOYSA-N 1 1 267.376 3.751 20 30 CHEDMO C=CCCCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000649287088 1129640028 /nfs/dbraw/zinc/64/00/28/1129640028.db2.gz AYDAKFBPUNPWJO-KRWDZBQOSA-N 1 1 259.393 3.806 20 30 CHEDMO C#Cc1cccc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000766447447 1129667980 /nfs/dbraw/zinc/66/79/80/1129667980.db2.gz QXXSQLXVJDXQCN-JXFKEZNVSA-N 1 1 290.410 3.915 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC001168885249 1129682025 /nfs/dbraw/zinc/68/20/25/1129682025.db2.gz JOFXSXSNEFULGZ-CABCVRRESA-N 1 1 255.446 3.686 20 30 CHEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168918154 1129683663 /nfs/dbraw/zinc/68/36/63/1129683663.db2.gz GJVZSSCYHZYBMZ-GOSISDBHSA-N 1 1 271.404 3.597 20 30 CHEDMO C=CCCCC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001169383181 1129724321 /nfs/dbraw/zinc/72/43/21/1129724321.db2.gz NVWSDHCYDYXELI-OAHLLOKOSA-N 1 1 296.455 3.578 20 30 CHEDMO C#C[C@](C)(CC)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001169692963 1129747168 /nfs/dbraw/zinc/74/71/68/1129747168.db2.gz RCGYSBTWFBQDLC-CRAIPNDOSA-N 1 1 285.435 3.670 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169695790 1129747938 /nfs/dbraw/zinc/74/79/38/1129747938.db2.gz ZHZAGDUVHBEVRZ-MRXNPFEDSA-N 1 1 298.471 3.900 20 30 CHEDMO C=CC[C@@H]1[N@@H+](CC[C@H]2COC(C)(C)O2)CCCC1(C)C ZINC001169844663 1129759817 /nfs/dbraw/zinc/75/98/17/1129759817.db2.gz OWHVSXKSXPLQCQ-GJZGRUSLSA-N 1 1 281.440 3.595 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000103460635 1129763779 /nfs/dbraw/zinc/76/37/79/1129763779.db2.gz IYMRCKVBOHYRNL-GFCCVEGCSA-N 1 1 298.386 3.751 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000103460635 1129763781 /nfs/dbraw/zinc/76/37/81/1129763781.db2.gz IYMRCKVBOHYRNL-GFCCVEGCSA-N 1 1 298.386 3.751 20 30 CHEDMO C#CC[N@H+](C)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC001169961725 1129768004 /nfs/dbraw/zinc/76/80/04/1129768004.db2.gz BFQNPQAXLALVIJ-UHFFFAOYSA-N 1 1 269.319 3.683 20 30 CHEDMO C=CCCn1cc(C[NH2+][C@@H](CC(C)C)c2ccccc2)nn1 ZINC000653597941 1129787806 /nfs/dbraw/zinc/78/78/06/1129787806.db2.gz GYKXPCHVWCKNLB-SFHVURJKSA-N 1 1 298.434 3.731 20 30 CHEDMO C#CCC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000767430002 1129793834 /nfs/dbraw/zinc/79/38/34/1129793834.db2.gz IQZGLGHQXYRFJN-UHFFFAOYSA-N 1 1 276.383 3.736 20 30 CHEDMO C=CCCC[C@H](C)[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810898 1129796439 /nfs/dbraw/zinc/79/64/39/1129796439.db2.gz ULXZHHHEUMCLTF-HNNXBMFYSA-N 1 1 252.446 3.537 20 30 CHEDMO C#CCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000767877074 1129818367 /nfs/dbraw/zinc/81/83/67/1129818367.db2.gz SZMCSRVYXMYGNI-CQSZACIVSA-N 1 1 296.183 3.748 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000768194584 1129841877 /nfs/dbraw/zinc/84/18/77/1129841877.db2.gz BUEBTBBSGZEKBP-GFCCVEGCSA-N 1 1 268.385 3.739 20 30 CHEDMO C#CCOc1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000768252724 1129846229 /nfs/dbraw/zinc/84/62/29/1129846229.db2.gz NKXGAWRRRMNZOU-UHFFFAOYSA-N 1 1 297.423 3.925 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(CCC)cc2)C1 ZINC001460291372 1129857609 /nfs/dbraw/zinc/85/76/09/1129857609.db2.gz WYZGPXYTYREANF-QGZVFWFLSA-N 1 1 255.405 3.874 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768444349 1129857824 /nfs/dbraw/zinc/85/78/24/1129857824.db2.gz AFCLVWONHNDTTM-UHFFFAOYSA-N 1 1 259.393 3.669 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542132 1129862393 /nfs/dbraw/zinc/86/23/93/1129862393.db2.gz KNPBAXRTFKOMJY-GFCCVEGCSA-N 1 1 296.867 3.954 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768542132 1129862398 /nfs/dbraw/zinc/86/23/98/1129862398.db2.gz KNPBAXRTFKOMJY-GFCCVEGCSA-N 1 1 296.867 3.954 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1OCC1CC1)C(C)C ZINC000768547949 1129864037 /nfs/dbraw/zinc/86/40/37/1129864037.db2.gz UOZXTDPZFKGJOY-UHFFFAOYSA-N 1 1 259.393 3.872 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(Cl)n1 ZINC001460886189 1129885612 /nfs/dbraw/zinc/88/56/12/1129885612.db2.gz JUJOLRUSVUUJEM-CQSZACIVSA-N 1 1 264.800 3.974 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1coc(C2CC2)n1 ZINC000769112227 1129891618 /nfs/dbraw/zinc/89/16/18/1129891618.db2.gz ZVMZKNWSHLTKIC-UHFFFAOYSA-N 1 1 282.387 3.783 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1coc(C2CC2)n1 ZINC000769112227 1129891623 /nfs/dbraw/zinc/89/16/23/1129891623.db2.gz ZVMZKNWSHLTKIC-UHFFFAOYSA-N 1 1 282.387 3.783 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1C#N)C1CCCCC1 ZINC001137706885 1131405298 /nfs/dbraw/zinc/40/52/98/1131405298.db2.gz VENQVAHQEJDDEO-UHFFFAOYSA-N 1 1 284.403 3.888 20 30 CHEDMO C#CCOc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000769506179 1129914925 /nfs/dbraw/zinc/91/49/25/1129914925.db2.gz CZLIPJIOISQLRP-IBGZPJMESA-N 1 1 295.357 3.785 20 30 CHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000769506179 1129914928 /nfs/dbraw/zinc/91/49/28/1129914928.db2.gz CZLIPJIOISQLRP-IBGZPJMESA-N 1 1 295.357 3.785 20 30 CHEDMO Cc1[nH+]ccn1CCCON=Cc1ccc(C(C)C)cc1 ZINC000769556140 1129918005 /nfs/dbraw/zinc/91/80/05/1129918005.db2.gz IYZUGFCACPLMGN-UHFFFAOYSA-N 1 1 285.391 3.756 20 30 CHEDMO C=CC[N@@H+](Cn1nc(Cl)c2ccccc21)C(C)C ZINC000769646029 1129919919 /nfs/dbraw/zinc/91/99/19/1129919919.db2.gz AKSASILECVXBJG-UHFFFAOYSA-N 1 1 263.772 3.544 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000769975424 1129934324 /nfs/dbraw/zinc/93/43/24/1129934324.db2.gz GBFZJVPEASNYAN-CQSZACIVSA-N 1 1 297.398 3.678 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000770288142 1129943987 /nfs/dbraw/zinc/94/39/87/1129943987.db2.gz GFJWYNXTQNTBFW-OAHLLOKOSA-N 1 1 271.404 3.709 20 30 CHEDMO N#Cc1cccc(CO[NH+]=C(N)C2CCCCCC2)c1 ZINC000770701355 1129956426 /nfs/dbraw/zinc/95/64/26/1129956426.db2.gz ZFKCLMRGRLKVPF-UHFFFAOYSA-N 1 1 271.364 3.527 20 30 CHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801922655 1129959186 /nfs/dbraw/zinc/95/91/86/1129959186.db2.gz MUOCNVDWNGJLKA-JZXOWHBKSA-N 1 1 286.419 3.697 20 30 CHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCO[C@@H](C)C#N)o1 ZINC000801925425 1129959885 /nfs/dbraw/zinc/95/98/85/1129959885.db2.gz LXYCPECQFVZJEB-YCPHGPKFSA-N 1 1 290.407 3.544 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000801928899 1129960167 /nfs/dbraw/zinc/96/01/67/1129960167.db2.gz ANSSHMCVHYHUHD-RDJZCZTQSA-N 1 1 278.440 3.740 20 30 CHEDMO Cc1cccc([C@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)c1C ZINC000801925154 1129960234 /nfs/dbraw/zinc/96/02/34/1129960234.db2.gz GAQWJPQIPISLFF-MAUKXSAKSA-N 1 1 286.419 3.759 20 30 CHEDMO Cc1cccc(C[N@@H+](CCO[C@H](C)C#N)Cc2ccco2)c1 ZINC000801930031 1129960458 /nfs/dbraw/zinc/96/04/58/1129960458.db2.gz CEOIHQBMMSROGO-MRXNPFEDSA-N 1 1 298.386 3.519 20 30 CHEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801935542 1129961292 /nfs/dbraw/zinc/96/12/92/1129961292.db2.gz AAQVXLBAZXFPKJ-YJBOKZPZSA-N 1 1 286.419 3.876 20 30 CHEDMO CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746197244 1129967595 /nfs/dbraw/zinc/96/75/95/1129967595.db2.gz NBAWIEXMXUEQJR-KRWDZBQOSA-N 1 1 296.499 3.831 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171004414 1131412374 /nfs/dbraw/zinc/41/23/74/1131412374.db2.gz DWPFTEDAEGGNMD-QGZVFWFLSA-N 1 1 294.373 3.687 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+](CCO[C@@H](C)C#N)C1CCCC1 ZINC000823110484 1131412610 /nfs/dbraw/zinc/41/26/10/1131412610.db2.gz VYJQAFXLDBKVNJ-JKSUJKDBSA-N 1 1 286.419 3.921 20 30 CHEDMO C=CC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C1CC1 ZINC000772382590 1130020745 /nfs/dbraw/zinc/02/07/45/1130020745.db2.gz SQVCNNXYGDMQCY-UHFFFAOYSA-N 1 1 283.371 3.560 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)C(C)C ZINC000802638863 1130023314 /nfs/dbraw/zinc/02/33/14/1130023314.db2.gz XCXDPHICVCTXCV-UHFFFAOYSA-N 1 1 275.421 3.545 20 30 CHEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCCCC2)c(F)c1 ZINC000746563630 1130065696 /nfs/dbraw/zinc/06/56/96/1130065696.db2.gz DIUQRTKZUHDTDW-UHFFFAOYSA-N 1 1 289.354 3.666 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902831434 1130066011 /nfs/dbraw/zinc/06/60/11/1130066011.db2.gz YMGMONBQPQZRNB-SJORKVTESA-N 1 1 298.386 3.888 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000785997006 1130073141 /nfs/dbraw/zinc/07/31/41/1130073141.db2.gz JFJWBZCALAQCFQ-WFASDCNBSA-N 1 1 283.774 3.553 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1cccc(C#N)c1 ZINC000902889330 1130078977 /nfs/dbraw/zinc/07/89/77/1130078977.db2.gz HHNQLZQWJDQUKB-DOMZBBRYSA-N 1 1 297.406 3.602 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCC1 ZINC000903031149 1130102018 /nfs/dbraw/zinc/10/20/18/1130102018.db2.gz IYWNIRCYKBWTAR-CQSZACIVSA-N 1 1 290.794 3.837 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(Br)cs1 ZINC000903032477 1130102030 /nfs/dbraw/zinc/10/20/30/1130102030.db2.gz JCBIIVAGUZAXRL-SECBINFHSA-N 1 1 299.237 3.855 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000903035747 1130102926 /nfs/dbraw/zinc/10/29/26/1130102926.db2.gz UQRJFTDFMNNDJS-MRXNPFEDSA-N 1 1 299.374 3.646 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1F ZINC000903039736 1130103888 /nfs/dbraw/zinc/10/38/88/1130103888.db2.gz XCDNKPYHYNPDAP-LRDDRELGSA-N 1 1 283.350 3.894 20 30 CHEDMO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cc(C#N)ccn1 ZINC000903065721 1130108021 /nfs/dbraw/zinc/10/80/21/1130108021.db2.gz XXWKHLIZAHBFHP-SCLBCKFNSA-N 1 1 292.386 3.540 20 30 CHEDMO CC[C@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C#N)c1 ZINC000903085269 1130109746 /nfs/dbraw/zinc/10/97/46/1130109746.db2.gz RMKFPBZDJDDVCS-LBPRGKRZSA-N 1 1 291.807 3.909 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(Cl)c1 ZINC000903092197 1130110200 /nfs/dbraw/zinc/11/02/00/1130110200.db2.gz IQSFCMRDCGCTIL-HNNXBMFYSA-N 1 1 275.783 3.860 20 30 CHEDMO C=CCCC[C@H]([NH2+][C@H](C)c1cn(C)nn1)c1ccccc1 ZINC000903089655 1130110698 /nfs/dbraw/zinc/11/06/98/1130110698.db2.gz VABVUNZUJUABNF-ZBFHGGJFSA-N 1 1 284.407 3.563 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000903099807 1130111430 /nfs/dbraw/zinc/11/14/30/1130111430.db2.gz ARQUPGXMMYPBOZ-LBPRGKRZSA-N 1 1 264.369 3.502 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106811 1130111592 /nfs/dbraw/zinc/11/15/92/1130111592.db2.gz VZBSYGHKWMNLHV-SNVBAGLBSA-N 1 1 263.410 3.529 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)sc1Br ZINC000903106268 1130113180 /nfs/dbraw/zinc/11/31/80/1130113180.db2.gz NQPLENOKYLPQON-VIFPVBQESA-N 1 1 299.237 3.773 20 30 CHEDMO CCc1nc2c(s1)[C@@H]([NH2+]CC1(C#N)CCCC1)CCC2 ZINC000903108401 1130114234 /nfs/dbraw/zinc/11/42/34/1130114234.db2.gz BUHMXOLHHDDOFX-LBPRGKRZSA-N 1 1 289.448 3.756 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccnn1-c1ccccc1 ZINC000903108606 1130114789 /nfs/dbraw/zinc/11/47/89/1130114789.db2.gz FFHMCRJUEHOVOP-HNNXBMFYSA-N 1 1 294.402 3.607 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cc1N(C)C ZINC000903110021 1130115351 /nfs/dbraw/zinc/11/53/51/1130115351.db2.gz YYMBVALKBHZTEI-ZDUSSCGKSA-N 1 1 289.398 3.626 20 30 CHEDMO CC1(C)C[C@@H]([NH2+]CC2(C#N)CC2)c2ccccc2S1 ZINC000903109887 1130115651 /nfs/dbraw/zinc/11/56/51/1130115651.db2.gz WVUZFPULIFZJFT-CYBMUJFWSA-N 1 1 272.417 3.895 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc2ccccc2n1 ZINC000903110034 1130115768 /nfs/dbraw/zinc/11/57/68/1130115768.db2.gz ZEBISLMUYVCGMC-CQSZACIVSA-N 1 1 279.387 3.969 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000787025126 1130125914 /nfs/dbraw/zinc/12/59/14/1130125914.db2.gz DGYNNPMNFUKMQC-GTNSWQLSSA-N 1 1 296.345 3.741 20 30 CHEDMO COc1ccc2c(c1Cl)[C@@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903221673 1130132420 /nfs/dbraw/zinc/13/24/20/1130132420.db2.gz RSXDWLLYUMRDDT-LBPRGKRZSA-N 1 1 292.810 3.865 20 30 CHEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000746650793 1130138568 /nfs/dbraw/zinc/13/85/68/1130138568.db2.gz KAUGQCPUNKKIGN-ZDUSSCGKSA-N 1 1 295.213 3.716 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787309668 1130147247 /nfs/dbraw/zinc/14/72/47/1130147247.db2.gz KZYBSPLEMDNCOJ-LBPRGKRZSA-N 1 1 280.755 3.789 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787309668 1130147250 /nfs/dbraw/zinc/14/72/50/1130147250.db2.gz KZYBSPLEMDNCOJ-LBPRGKRZSA-N 1 1 280.755 3.789 20 30 CHEDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)CCC#N ZINC000787770812 1130163216 /nfs/dbraw/zinc/16/32/16/1130163216.db2.gz XFSDEKSLTOEXDE-OAHLLOKOSA-N 1 1 273.424 3.514 20 30 CHEDMO C=C[C@H](CC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000788116264 1130173978 /nfs/dbraw/zinc/17/39/78/1130173978.db2.gz IUZKHEYVANKPIQ-NJAFHUGGSA-N 1 1 299.414 3.516 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cn2ccccc2n1)c1ccccc1 ZINC000788688356 1130199784 /nfs/dbraw/zinc/19/97/84/1130199784.db2.gz SLOJXGNCARRZOX-DOTOQJQBSA-N 1 1 289.382 3.750 20 30 CHEDMO CCCCOc1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000789038088 1130226584 /nfs/dbraw/zinc/22/65/84/1130226584.db2.gz ULCPDTBMJCGOCH-UHFFFAOYSA-N 1 1 283.375 3.519 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001139350443 1130263220 /nfs/dbraw/zinc/26/32/20/1130263220.db2.gz LCEFQWOCABCGSU-SNVBAGLBSA-N 1 1 299.237 3.636 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cscc2Br)CC1 ZINC001139350443 1130263226 /nfs/dbraw/zinc/26/32/26/1130263226.db2.gz LCEFQWOCABCGSU-SNVBAGLBSA-N 1 1 299.237 3.636 20 30 CHEDMO CC(C)P(CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC001254656639 1130278466 /nfs/dbraw/zinc/27/84/66/1130278466.db2.gz KRUGTQKYLOXFQQ-ZIAGYGMSSA-N 1 1 254.358 3.567 20 30 CHEDMO COCC#CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000677133494 1130292986 /nfs/dbraw/zinc/29/29/86/1130292986.db2.gz ZEDNAFXRWCMSRI-IBGZPJMESA-N 1 1 279.383 3.627 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480512 1130313193 /nfs/dbraw/zinc/31/31/93/1130313193.db2.gz YOMGFXOELRGQKS-GJZGRUSLSA-N 1 1 282.387 3.809 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792164647 1130433918 /nfs/dbraw/zinc/43/39/18/1130433918.db2.gz BSKUVCJXFHCJCM-UHFFFAOYSA-N 1 1 257.736 3.583 20 30 CHEDMO C=CCCC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792164647 1130433921 /nfs/dbraw/zinc/43/39/21/1130433921.db2.gz BSKUVCJXFHCJCM-UHFFFAOYSA-N 1 1 257.736 3.583 20 30 CHEDMO CCCCCCCCC[NH2+]C(C)(C)c1noc(C)n1 ZINC000792247951 1130441448 /nfs/dbraw/zinc/44/14/48/1130441448.db2.gz BJGJBKIEZFRKQD-UHFFFAOYSA-N 1 1 267.417 3.953 20 30 CHEDMO CCCCCCCCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000792284335 1130442616 /nfs/dbraw/zinc/44/26/16/1130442616.db2.gz XCMAFOCDOVGQOT-UHFFFAOYSA-N 1 1 297.483 3.866 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000792300117 1130443549 /nfs/dbraw/zinc/44/35/49/1130443549.db2.gz YSAUPZZVSJNXSA-UHFFFAOYSA-N 1 1 294.483 3.681 20 30 CHEDMO C#CC[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000792302178 1130443561 /nfs/dbraw/zinc/44/35/61/1130443561.db2.gz OPJYYERTNQFOKT-UHFFFAOYSA-N 1 1 290.819 3.545 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000678624573 1130443598 /nfs/dbraw/zinc/44/35/98/1130443598.db2.gz DFPHLZXXIMOWFW-CQSZACIVSA-N 1 1 270.376 3.973 20 30 CHEDMO CCCCCCCC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000792415057 1130449136 /nfs/dbraw/zinc/44/91/36/1130449136.db2.gz JUFXWXPOUNYDEW-INIZCTEOSA-N 1 1 295.496 3.871 20 30 CHEDMO C[N@H+]1CC[C@H](c2ccc(NCc3ccc(C#N)s3)cc2)C1 ZINC001170208512 1130458627 /nfs/dbraw/zinc/45/86/27/1130458627.db2.gz JUBKZHWIDKNZGY-AWEZNQCLSA-N 1 1 297.427 3.651 20 30 CHEDMO C=CC[N@H+](Cc1cn(C)nc1CC)CC1CCCCC1 ZINC000678830423 1130462594 /nfs/dbraw/zinc/46/25/94/1130462594.db2.gz VMEGIQXGLZWCKX-UHFFFAOYSA-N 1 1 275.440 3.551 20 30 CHEDMO CC(C)(S)CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001170305388 1130477906 /nfs/dbraw/zinc/47/79/06/1130477906.db2.gz XZENQTBRYMRJOT-UHFFFAOYSA-N 1 1 275.421 3.562 20 30 CHEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC001170341742 1130486341 /nfs/dbraw/zinc/48/63/41/1130486341.db2.gz CWQGNOWCPGZQDB-QGZVFWFLSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC001170341742 1130486343 /nfs/dbraw/zinc/48/63/43/1130486343.db2.gz CWQGNOWCPGZQDB-QGZVFWFLSA-N 1 1 277.383 3.945 20 30 CHEDMO C[N@@H+](CC1CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378543 1130488965 /nfs/dbraw/zinc/48/89/65/1130488965.db2.gz DREZINVOQPWVIP-UHFFFAOYSA-N 1 1 268.404 3.732 20 30 CHEDMO C=C(C)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001240832405 1130488937 /nfs/dbraw/zinc/48/89/37/1130488937.db2.gz QZKANRYXZXAOSV-UHFFFAOYSA-N 1 1 264.372 3.673 20 30 CHEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC001170379454 1130490816 /nfs/dbraw/zinc/49/08/16/1130490816.db2.gz YSMHDEYMDYJUDS-IVMQYODDSA-N 1 1 298.430 3.501 20 30 CHEDMO CC[C@H](CC#N)[NH2+]C/C(=C/F)CCc1ccc(F)cc1 ZINC001255156736 1130499019 /nfs/dbraw/zinc/49/90/19/1130499019.db2.gz NMBIORXBOGAWSO-WSYSLRRZSA-N 1 1 278.346 3.894 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001255157768 1130502246 /nfs/dbraw/zinc/50/22/46/1130502246.db2.gz VLANVNMPJNVSOF-ZDUSSCGKSA-N 1 1 282.309 3.976 20 30 CHEDMO CCCCCCC[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000792939876 1130506149 /nfs/dbraw/zinc/50/61/49/1130506149.db2.gz IEKPEWWRLVPDGB-IBGZPJMESA-N 1 1 288.479 3.816 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000679360284 1130522615 /nfs/dbraw/zinc/52/26/15/1130522615.db2.gz OPRHMVMZRDKQFY-CQSZACIVSA-N 1 1 277.408 3.880 20 30 CHEDMO CC[C@H](CC#N)[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC001255165203 1130532605 /nfs/dbraw/zinc/53/26/05/1130532605.db2.gz VUKCRMJRVZTRJM-GDBMZVCRSA-N 1 1 274.408 3.640 20 30 CHEDMO CC(C)(C)c1ccc(C[N@H+](CCC#N)C2CCCC2)[nH]1 ZINC001137376898 1130534360 /nfs/dbraw/zinc/53/43/60/1130534360.db2.gz UYPLUXABOIFJEH-UHFFFAOYSA-N 1 1 273.424 3.970 20 30 CHEDMO CC(C)(C)c1ccc(C[N@@H+](CCC#N)C2CCCC2)[nH]1 ZINC001137376898 1130534365 /nfs/dbraw/zinc/53/43/65/1130534365.db2.gz UYPLUXABOIFJEH-UHFFFAOYSA-N 1 1 273.424 3.970 20 30 CHEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001255166640 1130540195 /nfs/dbraw/zinc/54/01/95/1130540195.db2.gz NMLKOGDKLYTOFR-AWEZNQCLSA-N 1 1 292.810 3.875 20 30 CHEDMO Cc1c(Cl)cccc1N=NC1CCC[N@H+](C)CC1 ZINC000758108311 1130598148 /nfs/dbraw/zinc/59/81/48/1130598148.db2.gz SDHQTOZTUUKJLS-UHFFFAOYSA-N 1 1 265.788 3.532 20 30 CHEDMO C[N@@H+](Cc1nc(C#N)cs1)C1CCCCCCC1 ZINC000811459825 1130610547 /nfs/dbraw/zinc/61/05/47/1130610547.db2.gz PLPWYGHQOZILKQ-UHFFFAOYSA-N 1 1 263.410 3.559 20 30 CHEDMO C#Cc1ccc(C[NH2+][C@H](C#C)c2ccc(Cl)cc2)cc1 ZINC000811517692 1130615022 /nfs/dbraw/zinc/61/50/22/1130615022.db2.gz ZXBFFEJTSIZUBX-GOSISDBHSA-N 1 1 279.770 3.785 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1 ZINC000811516552 1130615642 /nfs/dbraw/zinc/61/56/42/1130615642.db2.gz PEUMHWYQWXFTDG-SFHVURJKSA-N 1 1 294.785 3.984 20 30 CHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759114186 1130637289 /nfs/dbraw/zinc/63/72/89/1130637289.db2.gz RVBBNTPKQXGCJF-CQSZACIVSA-N 1 1 288.218 3.925 20 30 CHEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759154096 1130640217 /nfs/dbraw/zinc/64/02/17/1130640217.db2.gz TWVSEDMPCMHRKW-AWEZNQCLSA-N 1 1 288.218 3.925 20 30 CHEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc2ccccc2cc1C#N ZINC000811868343 1130653144 /nfs/dbraw/zinc/65/31/44/1130653144.db2.gz ULERMMQUGRGBHN-AWEZNQCLSA-N 1 1 296.418 3.639 20 30 CHEDMO N#CC12CCC(Nc3cc(C4CC4)cc[nH+]3)(CC1)CC2 ZINC001158785421 1130666703 /nfs/dbraw/zinc/66/67/03/1130666703.db2.gz VXUZOHIPARHXHB-UHFFFAOYSA-N 1 1 267.376 3.987 20 30 CHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NOC2CCC2)C3)cc1 ZINC000812235463 1130676071 /nfs/dbraw/zinc/67/60/71/1130676071.db2.gz HGEIBFWQAMUVNQ-CALCHBBNSA-N 1 1 284.403 3.739 20 30 CHEDMO c1ccc(C[N@H+]2C[C@@H]3CCCC(=NOC4CCC4)[C@H]3C2)cc1 ZINC000812237201 1130676958 /nfs/dbraw/zinc/67/69/58/1130676958.db2.gz PATNFJLQQNQWNC-WMZOPIPTSA-N 1 1 298.430 3.844 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996736 1130701790 /nfs/dbraw/zinc/70/17/90/1130701790.db2.gz NCWQLMIZPXWEHB-HNNXBMFYSA-N 1 1 292.382 3.795 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235049647 1130706227 /nfs/dbraw/zinc/70/62/27/1130706227.db2.gz ZULFMDYYRJOKFY-KRWDZBQOSA-N 1 1 283.350 3.556 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235049647 1130706234 /nfs/dbraw/zinc/70/62/34/1130706234.db2.gz ZULFMDYYRJOKFY-KRWDZBQOSA-N 1 1 283.350 3.556 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC000812793687 1130716725 /nfs/dbraw/zinc/71/67/25/1130716725.db2.gz AJPABKFMBFEGRT-QGZVFWFLSA-N 1 1 271.310 3.737 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848687 1130722116 /nfs/dbraw/zinc/72/21/16/1130722116.db2.gz DEFOSGDCPLPXPV-BEFAXECRSA-N 1 1 294.398 3.502 20 30 CHEDMO CCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001170689948 1130723846 /nfs/dbraw/zinc/72/38/46/1130723846.db2.gz CYQRSUCUHKJACQ-MSOLQXFVSA-N 1 1 293.426 3.757 20 30 CHEDMO C[N@@H+](Cc1cc2cccc(F)c2[nH]1)Cc1ccc(C#N)cc1 ZINC001235244287 1130727025 /nfs/dbraw/zinc/72/70/25/1130727025.db2.gz CJHRNGXJHXIHJI-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235509583 1130751107 /nfs/dbraw/zinc/75/11/07/1130751107.db2.gz MQEBLZWJBMCVKF-UHFFFAOYSA-N 1 1 290.798 3.732 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235509583 1130751110 /nfs/dbraw/zinc/75/11/10/1130751110.db2.gz MQEBLZWJBMCVKF-UHFFFAOYSA-N 1 1 290.798 3.732 20 30 CHEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1CC#N ZINC001235527481 1130751956 /nfs/dbraw/zinc/75/19/56/1130751956.db2.gz JBFSDMMEHCNZLB-UHFFFAOYSA-N 1 1 282.362 3.914 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cc(C)cc(Cl)c1 ZINC001235529359 1130752081 /nfs/dbraw/zinc/75/20/81/1130752081.db2.gz IKGXUQQGDNNDMZ-UHFFFAOYSA-N 1 1 250.773 3.774 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cc(C)cc(Cl)c1 ZINC001235529359 1130752085 /nfs/dbraw/zinc/75/20/85/1130752085.db2.gz IKGXUQQGDNNDMZ-UHFFFAOYSA-N 1 1 250.773 3.774 20 30 CHEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccccc1CC#N ZINC001235528078 1130752230 /nfs/dbraw/zinc/75/22/30/1130752230.db2.gz MBJRDCHRPASESK-OAHLLOKOSA-N 1 1 294.398 3.954 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1n[nH]c2cc(N)ccc21 ZINC001235663841 1130762079 /nfs/dbraw/zinc/76/20/79/1130762079.db2.gz WDWXJDCBZLDEKD-UHFFFAOYSA-N 1 1 274.412 3.547 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1C ZINC001235651151 1130762149 /nfs/dbraw/zinc/76/21/49/1130762149.db2.gz KUAUMBGKWMQVRO-NWDGAFQWSA-N 1 1 278.346 3.704 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(N)c(F)c1 ZINC001235662630 1130762181 /nfs/dbraw/zinc/76/21/81/1130762181.db2.gz KTGGNTSRYOPGEE-UHFFFAOYSA-N 1 1 252.377 3.810 20 30 CHEDMO CCC[N@H+](Cc1c(F)cc(C#N)cc1F)CC(C)C ZINC001235660510 1130762994 /nfs/dbraw/zinc/76/29/94/1130762994.db2.gz FLKYMDSCFGSUOQ-UHFFFAOYSA-N 1 1 266.335 3.704 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(NC)cc1 ZINC001235963129 1130819577 /nfs/dbraw/zinc/81/95/77/1130819577.db2.gz UTPAJUHCQAFOQU-UHFFFAOYSA-N 1 1 266.388 3.917 20 30 CHEDMO CC(=NOCCC1CC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000814245518 1130847697 /nfs/dbraw/zinc/84/76/97/1130847697.db2.gz WCYRVRDKSFQRQK-UHFFFAOYSA-N 1 1 283.375 3.721 20 30 CHEDMO Clc1ccc(C[NH+]2CCC(=NOCC3CC3)CC2)cc1 ZINC000814244215 1130851695 /nfs/dbraw/zinc/85/16/95/1130851695.db2.gz JGVCRJQLAZSMIJ-UHFFFAOYSA-N 1 1 292.810 3.718 20 30 CHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NOCC2CC2)C3)cc1 ZINC000814245166 1130851811 /nfs/dbraw/zinc/85/18/11/1130851811.db2.gz UCLLQMPEVPUTKN-HDICACEKSA-N 1 1 284.403 3.596 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCCN[C@@H](C)C1 ZINC001236098992 1130860884 /nfs/dbraw/zinc/86/08/84/1130860884.db2.gz WNRHGRDENYUSDO-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCCN[C@@H](C)C1 ZINC001236098992 1130860889 /nfs/dbraw/zinc/86/08/89/1130860889.db2.gz WNRHGRDENYUSDO-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCCCN1CCC[NH2+][C@@H](C)C1 ZINC001236098992 1130860893 /nfs/dbraw/zinc/86/08/93/1130860893.db2.gz WNRHGRDENYUSDO-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784477068 1130905297 /nfs/dbraw/zinc/90/52/97/1130905297.db2.gz PXASUCQGPTXJMW-CQSZACIVSA-N 1 1 280.209 3.693 20 30 CHEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784477068 1130905301 /nfs/dbraw/zinc/90/53/01/1130905301.db2.gz PXASUCQGPTXJMW-CQSZACIVSA-N 1 1 280.209 3.693 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484033 1130907119 /nfs/dbraw/zinc/90/71/19/1130907119.db2.gz CLJVRZBOMAZVGS-AWEZNQCLSA-N 1 1 281.321 3.908 20 30 CHEDMO CCc1ccccc1N[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814802019 1130913025 /nfs/dbraw/zinc/91/30/25/1130913025.db2.gz QXWMMFUZENWGOG-UHFFFAOYSA-N 1 1 289.329 3.946 20 30 CHEDMO CCOc1ccc(N[NH+]=C(C)c2ccc(N)cc2)cc1 ZINC000814984430 1130947924 /nfs/dbraw/zinc/94/79/24/1130947924.db2.gz OAJIKFNIYOETHZ-UHFFFAOYSA-N 1 1 269.348 3.504 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cccnc1F)c1ccco1 ZINC000796974165 1130950105 /nfs/dbraw/zinc/95/01/05/1130950105.db2.gz DMMXESDXMWKMHW-ZDUSSCGKSA-N 1 1 260.312 3.611 20 30 CHEDMO C#CC[N@H+](C[C@H](O)c1cccc2ccccc21)C1CCCC1 ZINC000815060921 1130954897 /nfs/dbraw/zinc/95/48/97/1130954897.db2.gz GDKJDJXRURNFOM-FQEVSTJZSA-N 1 1 293.410 3.751 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC000815080249 1130957589 /nfs/dbraw/zinc/95/75/89/1130957589.db2.gz MXRUKTQKJZESBW-IUODEOHRSA-N 1 1 287.794 3.516 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC000815104256 1130961969 /nfs/dbraw/zinc/96/19/69/1130961969.db2.gz FWWLQSVZTXBONG-APWZRJJASA-N 1 1 281.399 3.914 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000815104307 1130962526 /nfs/dbraw/zinc/96/25/26/1130962526.db2.gz HMURINOANDFYPA-HUUCEWRRSA-N 1 1 271.360 3.507 20 30 CHEDMO COc1ccc(C#N)cc1-c1c(C)cc(C)[nH+]c1C ZINC001236546171 1130971029 /nfs/dbraw/zinc/97/10/29/1130971029.db2.gz ZYJQOJMXSJXRKD-UHFFFAOYSA-N 1 1 252.317 3.554 20 30 CHEDMO C=CCC[N@H+](Cc1oc(C)nc1C)Cc1ccccc1 ZINC001236591602 1130981472 /nfs/dbraw/zinc/98/14/72/1130981472.db2.gz PAJRGYQQCOOMLH-UHFFFAOYSA-N 1 1 270.376 3.870 20 30 CHEDMO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC001236639133 1130987638 /nfs/dbraw/zinc/98/76/38/1130987638.db2.gz LRJALHKHTYHWNM-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC001236639133 1130987639 /nfs/dbraw/zinc/98/76/39/1130987639.db2.gz LRJALHKHTYHWNM-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236834621 1131018713 /nfs/dbraw/zinc/01/87/13/1131018713.db2.gz AOMWOYODPIGWHZ-AWEZNQCLSA-N 1 1 280.371 3.671 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(-n2cncn2)c1)C1CCCCC1 ZINC001236890640 1131029436 /nfs/dbraw/zinc/02/94/36/1131029436.db2.gz RYVVTHVMPMRWBO-UHFFFAOYSA-N 1 1 296.418 3.588 20 30 CHEDMO C=CCCCCCC[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001237146078 1131058480 /nfs/dbraw/zinc/05/84/80/1131058480.db2.gz QTUUJQHRGQNFKU-QGZVFWFLSA-N 1 1 264.457 3.729 20 30 CHEDMO C=CCCCCCC[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001237146078 1131058486 /nfs/dbraw/zinc/05/84/86/1131058486.db2.gz QTUUJQHRGQNFKU-QGZVFWFLSA-N 1 1 264.457 3.729 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237295631 1131078983 /nfs/dbraw/zinc/07/89/83/1131078983.db2.gz WUQNDQYQOIHRRY-GOSISDBHSA-N 1 1 290.410 3.817 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237295631 1131078990 /nfs/dbraw/zinc/07/89/90/1131078990.db2.gz WUQNDQYQOIHRRY-GOSISDBHSA-N 1 1 290.410 3.817 20 30 CHEDMO CCc1cccc(C)c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001237323537 1131083280 /nfs/dbraw/zinc/08/32/80/1131083280.db2.gz IOLINNJIFNZAGX-UHFFFAOYSA-N 1 1 290.410 3.987 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001237355620 1131091348 /nfs/dbraw/zinc/09/13/48/1131091348.db2.gz NWPYBQDQWQILES-LLVKDONJSA-N 1 1 298.308 3.553 20 30 CHEDMO C=CC[N@H+](C)Cc1cccc(F)c1NC(=O)OC(C)(C)C ZINC001237371471 1131092059 /nfs/dbraw/zinc/09/20/59/1131092059.db2.gz KVEKOBRCRIUXSO-UHFFFAOYSA-N 1 1 294.370 3.791 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)ccn1 ZINC001237462275 1131100686 /nfs/dbraw/zinc/10/06/86/1131100686.db2.gz GAKGAJZGPXUSFP-GOSISDBHSA-N 1 1 291.398 3.723 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237519603 1131109258 /nfs/dbraw/zinc/10/92/58/1131109258.db2.gz VSFKSZJMTITDHX-AWEZNQCLSA-N 1 1 267.347 3.824 20 30 CHEDMO N#Cc1cc(C[NH+]2CCC3(CCC3)CC2)c(F)cc1F ZINC001237524892 1131110617 /nfs/dbraw/zinc/11/06/17/1131110617.db2.gz NQXSFXVJDMJNBI-UHFFFAOYSA-N 1 1 276.330 3.603 20 30 CHEDMO Cc1cc(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)no1 ZINC000752877415 1131115858 /nfs/dbraw/zinc/11/58/58/1131115858.db2.gz NSLDTWUCXCEPEE-BQYQJAHWSA-N 1 1 295.342 3.650 20 30 CHEDMO N#Cc1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1 ZINC001115850918 1131120973 /nfs/dbraw/zinc/12/09/73/1131120973.db2.gz VNLNAZWMATVVSR-UHFFFAOYSA-N 1 1 290.370 3.604 20 30 CHEDMO C[N@@H+](Cc1c(O)ccc2ccccc21)CC(C)(C)C#N ZINC000816632347 1131121642 /nfs/dbraw/zinc/12/16/42/1131121642.db2.gz DVVBYXAWKNOUEK-UHFFFAOYSA-N 1 1 268.360 3.527 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC001237687912 1131128634 /nfs/dbraw/zinc/12/86/34/1131128634.db2.gz YAZOXPJRMAPXAW-UHFFFAOYSA-N 1 1 280.799 3.870 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC001237687912 1131128637 /nfs/dbraw/zinc/12/86/37/1131128637.db2.gz YAZOXPJRMAPXAW-UHFFFAOYSA-N 1 1 280.799 3.870 20 30 CHEDMO CCc1cc(C[NH+]2CCC(C#N)CC2)ccc1Cl ZINC001237739352 1131136356 /nfs/dbraw/zinc/13/63/56/1131136356.db2.gz VMSZCKIQFWLPLM-UHFFFAOYSA-N 1 1 262.784 3.638 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](F)CC2)c1 ZINC001237745227 1131137986 /nfs/dbraw/zinc/13/79/86/1131137986.db2.gz DPZVMROVQCHGEI-AWEZNQCLSA-N 1 1 266.747 3.536 20 30 CHEDMO CCCOC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237757166 1131138806 /nfs/dbraw/zinc/13/88/06/1131138806.db2.gz NQKXLQJUEKZIQE-UHFFFAOYSA-N 1 1 292.810 3.603 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(F)c(C)n1 ZINC001237817365 1131144555 /nfs/dbraw/zinc/14/45/55/1131144555.db2.gz PGUCLZUPQMADQK-UHFFFAOYSA-N 1 1 252.377 3.931 20 30 CHEDMO CC(C)c1c(Cl)nc[nH+]c1NNC=CC(F)(F)F ZINC000817327975 1131152866 /nfs/dbraw/zinc/15/28/66/1131152866.db2.gz USUFGSBMKOMJAZ-UHFFFAOYSA-N 1 1 280.681 3.604 20 30 CHEDMO COc1cccc(N[NH+]=C2CCCCc3ccc(N)cc32)c1 ZINC000817322814 1131154300 /nfs/dbraw/zinc/15/43/00/1131154300.db2.gz LWSDSTFASGEGBQ-UHFFFAOYSA-N 1 1 295.386 3.820 20 30 CHEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC001116720061 1131161681 /nfs/dbraw/zinc/16/16/81/1131161681.db2.gz WJAGQAKPZLMODG-OAHLLOKOSA-N 1 1 299.336 3.791 20 30 CHEDMO CC[N@H+](CCC#N)Cc1cc(C)c(Br)cc1C ZINC001238281371 1131188044 /nfs/dbraw/zinc/18/80/44/1131188044.db2.gz JMKQXKKPUWXQHX-UHFFFAOYSA-N 1 1 295.224 3.802 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1cc(C)c(Br)cc1C ZINC001238281371 1131188045 /nfs/dbraw/zinc/18/80/45/1131188045.db2.gz JMKQXKKPUWXQHX-UHFFFAOYSA-N 1 1 295.224 3.802 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1ncc(OC)cc1Cl ZINC001238495538 1131208734 /nfs/dbraw/zinc/20/87/34/1131208734.db2.gz XNEUYNZXSXUCHY-UHFFFAOYSA-N 1 1 268.788 3.532 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ncc(OC)cc1Cl ZINC001238495538 1131208737 /nfs/dbraw/zinc/20/87/37/1131208737.db2.gz XNEUYNZXSXUCHY-UHFFFAOYSA-N 1 1 268.788 3.532 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC001118303090 1131217065 /nfs/dbraw/zinc/21/70/65/1131217065.db2.gz OCWXGODTFLDJIN-OLZOCXBDSA-N 1 1 260.406 3.632 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC001118303091 1131217309 /nfs/dbraw/zinc/21/73/09/1131217309.db2.gz OCWXGODTFLDJIN-QWHCGFSZSA-N 1 1 260.406 3.632 20 30 CHEDMO C=CCCC[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001278254234 1131219920 /nfs/dbraw/zinc/21/99/20/1131219920.db2.gz RNSXRAXEGCHNES-ZWKOTPCHSA-N 1 1 287.451 3.506 20 30 CHEDMO CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001136709800 1131423813 /nfs/dbraw/zinc/42/38/13/1131423813.db2.gz YJJAWRUPXJBICH-IAGOWNOFSA-N 1 1 296.499 3.974 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000829774354 1131432279 /nfs/dbraw/zinc/43/22/79/1131432279.db2.gz PEKKUDUPSFXSPM-GJZGRUSLSA-N 1 1 295.386 3.533 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000829773265 1131432768 /nfs/dbraw/zinc/43/27/68/1131432768.db2.gz BOHNHNXECQXGBJ-CYBMUJFWSA-N 1 1 270.401 3.532 20 30 CHEDMO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1N ZINC001246280629 1131440617 /nfs/dbraw/zinc/44/06/17/1131440617.db2.gz RBKOYMUVBXLUAA-ARFHVFGLSA-N 1 1 254.462 3.985 20 30 CHEDMO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1N1CCCCC1 ZINC000830023338 1131441649 /nfs/dbraw/zinc/44/16/49/1131441649.db2.gz LSPWIHKXTLIDOL-UHFFFAOYSA-N 1 1 299.462 3.967 20 30 CHEDMO Cc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1N1CCCCC1 ZINC000830023338 1131441651 /nfs/dbraw/zinc/44/16/51/1131441651.db2.gz LSPWIHKXTLIDOL-UHFFFAOYSA-N 1 1 299.462 3.967 20 30 CHEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824114186 1131455888 /nfs/dbraw/zinc/45/58/88/1131455888.db2.gz QZUHHYVAFXFMLI-CABCVRRESA-N 1 1 296.455 3.530 20 30 CHEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000824297513 1131461906 /nfs/dbraw/zinc/46/19/06/1131461906.db2.gz VOZGCUDAQOTCLK-JTQLQIEISA-N 1 1 292.354 3.542 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000824297513 1131461907 /nfs/dbraw/zinc/46/19/07/1131461907.db2.gz VOZGCUDAQOTCLK-JTQLQIEISA-N 1 1 292.354 3.542 20 30 CHEDMO C#C[C@@H](CC)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000824363683 1131465547 /nfs/dbraw/zinc/46/55/47/1131465547.db2.gz HXNXNPSWYDDHAK-HNNXBMFYSA-N 1 1 278.484 3.667 20 30 CHEDMO C=CC[N@H+](Cc1cnc2c(C)cccn12)C1CCCCC1 ZINC001136966300 1131490441 /nfs/dbraw/zinc/49/04/41/1131490441.db2.gz YPTSBFPVNMXRNA-UHFFFAOYSA-N 1 1 283.419 3.963 20 30 CHEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](CC#N)C3)c[nH]c2c1 ZINC001136973054 1131494025 /nfs/dbraw/zinc/49/40/25/1131494025.db2.gz KKKCLQACCBRMAE-AWEZNQCLSA-N 1 1 267.376 3.602 20 30 CHEDMO N#CCC[N@@H+](Cc1ncccc1O)C1CCCCCCC1 ZINC001138392987 1131498393 /nfs/dbraw/zinc/49/83/93/1131498393.db2.gz GGNFHWPOBOYLFK-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO N#CCC[N@H+](Cc1ncccc1O)C1CCCCCCC1 ZINC001138392987 1131498395 /nfs/dbraw/zinc/49/83/95/1131498395.db2.gz GGNFHWPOBOYLFK-UHFFFAOYSA-N 1 1 287.407 3.616 20 30 CHEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001138557337 1131520714 /nfs/dbraw/zinc/52/07/14/1131520714.db2.gz HQDYTFQSTXPCJR-IEBWSBKVSA-N 1 1 283.415 3.853 20 30 CHEDMO C#CCOc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC001138556438 1131521173 /nfs/dbraw/zinc/52/11/73/1131521173.db2.gz VTVMJIJJOADAMK-INIZCTEOSA-N 1 1 291.394 3.818 20 30 CHEDMO C[C@]1(F)CCC[N@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716102 1131524753 /nfs/dbraw/zinc/52/47/53/1131524753.db2.gz DKFSDATWEMVTSQ-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716102 1131524757 /nfs/dbraw/zinc/52/47/57/1131524757.db2.gz DKFSDATWEMVTSQ-HNNXBMFYSA-N 1 1 280.774 3.926 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001143719499 1131525533 /nfs/dbraw/zinc/52/55/33/1131525533.db2.gz ZOGXNNHINDLATP-OCCSQVGLSA-N 1 1 274.795 3.834 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143717517 1131525779 /nfs/dbraw/zinc/52/57/79/1131525779.db2.gz GLRWSEVYGKGHDN-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001138612236 1131527090 /nfs/dbraw/zinc/52/70/90/1131527090.db2.gz LSISJOKCBBUKAB-UHFFFAOYSA-N 1 1 285.435 3.803 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001138612236 1131527093 /nfs/dbraw/zinc/52/70/93/1131527093.db2.gz LSISJOKCBBUKAB-UHFFFAOYSA-N 1 1 285.435 3.803 20 30 CHEDMO C[N@@H+](Cc1c(Cl)cccc1C#N)C[C@@H]1CC1(C)C ZINC001143731066 1131528747 /nfs/dbraw/zinc/52/87/47/1131528747.db2.gz KSKVYWSYWDLNTL-LBPRGKRZSA-N 1 1 262.784 3.690 20 30 CHEDMO C[N@H+](Cc1c(Cl)cccc1C#N)C[C@@H]1CC1(C)C ZINC001143731066 1131528751 /nfs/dbraw/zinc/52/87/51/1131528751.db2.gz KSKVYWSYWDLNTL-LBPRGKRZSA-N 1 1 262.784 3.690 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCc2occc2C1 ZINC001138665523 1131534266 /nfs/dbraw/zinc/53/42/66/1131534266.db2.gz OFPBUFGMYGCPIO-UHFFFAOYSA-N 1 1 283.371 3.793 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCc2occc2C1 ZINC001138665523 1131534269 /nfs/dbraw/zinc/53/42/69/1131534269.db2.gz OFPBUFGMYGCPIO-UHFFFAOYSA-N 1 1 283.371 3.793 20 30 CHEDMO Cc1cccc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138721949 1131541558 /nfs/dbraw/zinc/54/15/58/1131541558.db2.gz LRXWXCGTESRVNO-ZSOGYDGISA-N 1 1 274.795 3.915 20 30 CHEDMO C=CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)C(C)(C)C ZINC001138766957 1131546852 /nfs/dbraw/zinc/54/68/52/1131546852.db2.gz DEJVGLVSKCHACU-UHFFFAOYSA-N 1 1 283.419 3.718 20 30 CHEDMO C=CC[N@@H+](Cc1c2cc[nH]c2ncc1Cl)C(C)(C)C ZINC001138953413 1131564089 /nfs/dbraw/zinc/56/40/89/1131564089.db2.gz WALCCGVDNJWQOD-UHFFFAOYSA-N 1 1 277.799 3.954 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440057 1131564478 /nfs/dbraw/zinc/56/44/78/1131564478.db2.gz KWLNQCHRDWWQQV-AWEZNQCLSA-N 1 1 270.367 3.828 20 30 CHEDMO C=C(Cl)C[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000832574678 1131569361 /nfs/dbraw/zinc/56/93/61/1131569361.db2.gz OEQKXMJWBOHOQN-HDJSIYSDSA-N 1 1 265.784 3.626 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1OC(C)C ZINC001138988796 1131570207 /nfs/dbraw/zinc/57/02/07/1131570207.db2.gz JBIYSLGGVWQZBI-UHFFFAOYSA-N 1 1 298.224 3.854 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001139027276 1131574108 /nfs/dbraw/zinc/57/41/08/1131574108.db2.gz SWAHQTLWSGZDHN-IAGOWNOFSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001139027276 1131574112 /nfs/dbraw/zinc/57/41/12/1131574112.db2.gz SWAHQTLWSGZDHN-IAGOWNOFSA-N 1 1 299.414 3.585 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1C ZINC000832633966 1131574138 /nfs/dbraw/zinc/57/41/38/1131574138.db2.gz JHVULTSBRWPXAZ-UHFFFAOYSA-N 1 1 294.398 3.838 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171130555 1131576058 /nfs/dbraw/zinc/57/60/58/1131576058.db2.gz RLXZNPLFNRWMMV-INIZCTEOSA-N 1 1 276.811 3.823 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132312 1131576305 /nfs/dbraw/zinc/57/63/05/1131576305.db2.gz BKLUPRVZFBYCKZ-GUYCJALGSA-N 1 1 273.807 3.543 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cncc(C#N)c1 ZINC001144079865 1131582001 /nfs/dbraw/zinc/58/20/01/1131582001.db2.gz MGLJFTZBXCSSHB-UHFFFAOYSA-N 1 1 259.397 3.746 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc2ccn(CC)c2c1 ZINC001139122808 1131582884 /nfs/dbraw/zinc/58/28/84/1131582884.db2.gz LPTAYUUZJRDSQQ-UHFFFAOYSA-N 1 1 269.392 3.787 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc2ccn(CC)c2c1 ZINC001139122808 1131582889 /nfs/dbraw/zinc/58/28/89/1131582889.db2.gz LPTAYUUZJRDSQQ-UHFFFAOYSA-N 1 1 269.392 3.787 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc2cccnc2c1 ZINC001139169220 1131591369 /nfs/dbraw/zinc/59/13/69/1131591369.db2.gz KKMCFDSKSZIZKH-UHFFFAOYSA-N 1 1 267.376 3.751 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc2cccnc2c1 ZINC001139169220 1131591372 /nfs/dbraw/zinc/59/13/72/1131591372.db2.gz KKMCFDSKSZIZKH-UHFFFAOYSA-N 1 1 267.376 3.751 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144246091 1131605317 /nfs/dbraw/zinc/60/53/17/1131605317.db2.gz SWBMQRIGWOEGSM-INIZCTEOSA-N 1 1 279.387 3.603 20 30 CHEDMO CC1(C)CCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400123 1131607198 /nfs/dbraw/zinc/60/71/98/1131607198.db2.gz HHRUCJBPTAQIGI-UHFFFAOYSA-N 1 1 291.398 3.995 20 30 CHEDMO C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C1CCCC1 ZINC001139406939 1131607251 /nfs/dbraw/zinc/60/72/51/1131607251.db2.gz KCSAFDYIQFELPO-UHFFFAOYSA-N 1 1 291.398 3.995 20 30 CHEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1 ZINC001202938334 1131609905 /nfs/dbraw/zinc/60/99/05/1131609905.db2.gz GPVHSCHGCWDHJG-LMCOJAPRSA-N 1 1 298.474 3.666 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCC1(F)F ZINC001139526057 1131613689 /nfs/dbraw/zinc/61/36/89/1131613689.db2.gz SGXCQWQMIQAIGZ-LLVKDONJSA-N 1 1 282.309 3.565 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCC1(F)F ZINC001139526059 1131613793 /nfs/dbraw/zinc/61/37/93/1131613793.db2.gz SGXCQWQMIQAIGZ-NSHDSACASA-N 1 1 282.309 3.565 20 30 CHEDMO C=CC[N@@H+](Cc1cc(C)cnc1Cl)C(C)(C)C ZINC001139592413 1131619718 /nfs/dbraw/zinc/61/97/18/1131619718.db2.gz PSZHTZJAFRKIHM-UHFFFAOYSA-N 1 1 252.789 3.830 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)cnc1Cl)C(C)(C)C ZINC001139592413 1131619720 /nfs/dbraw/zinc/61/97/20/1131619720.db2.gz PSZHTZJAFRKIHM-UHFFFAOYSA-N 1 1 252.789 3.830 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687224 1131629107 /nfs/dbraw/zinc/62/91/07/1131629107.db2.gz MZNBWZKBHVZHGW-GFCCVEGCSA-N 1 1 262.784 3.834 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CCCCC1 ZINC001139702211 1131629960 /nfs/dbraw/zinc/62/99/60/1131629960.db2.gz XBUWZUOJDZXSKB-UHFFFAOYSA-N 1 1 267.376 3.804 20 30 CHEDMO CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139692237 1131629971 /nfs/dbraw/zinc/62/99/71/1131629971.db2.gz SHHWEWRPSLYKAT-ZDUSSCGKSA-N 1 1 262.784 3.976 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139692237 1131629972 /nfs/dbraw/zinc/62/99/72/1131629972.db2.gz SHHWEWRPSLYKAT-ZDUSSCGKSA-N 1 1 262.784 3.976 20 30 CHEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001139692336 1131630243 /nfs/dbraw/zinc/63/02/43/1131630243.db2.gz WLVQCQWOMHLINK-LRDDRELGSA-N 1 1 274.795 3.976 20 30 CHEDMO CC(C)[N@H+](Cc1c[nH]c2c1cccc2C#N)CC1CC1 ZINC001139702795 1131630492 /nfs/dbraw/zinc/63/04/92/1131630492.db2.gz AHFPNHRUHJKXGN-UHFFFAOYSA-N 1 1 267.376 3.660 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139706451 1131630965 /nfs/dbraw/zinc/63/09/65/1131630965.db2.gz UKEWHQNYZGUEAQ-ZDUSSCGKSA-N 1 1 267.376 3.662 20 30 CHEDMO Cc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1C#N ZINC001139722807 1131632318 /nfs/dbraw/zinc/63/23/18/1131632318.db2.gz HAUXSUIMHPCDDU-HNNXBMFYSA-N 1 1 276.383 3.986 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)cc1C#N ZINC001139726458 1131632659 /nfs/dbraw/zinc/63/26/59/1131632659.db2.gz PFUIZPYYWSKRRZ-UHFFFAOYSA-N 1 1 292.382 3.572 20 30 CHEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cn1 ZINC001139770661 1131636371 /nfs/dbraw/zinc/63/63/71/1131636371.db2.gz VZBDVRGWCXWCAT-KRWDZBQOSA-N 1 1 285.366 3.545 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2C(F)F)CC1 ZINC001139798761 1131637459 /nfs/dbraw/zinc/63/74/59/1131637459.db2.gz DCJRYWROSLVRIK-GFCCVEGCSA-N 1 1 264.319 3.750 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc(OC)s1 ZINC001139817353 1131639034 /nfs/dbraw/zinc/63/90/34/1131639034.db2.gz KVXQPRNFMFQELO-UHFFFAOYSA-N 1 1 256.415 3.554 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc2ccccc21 ZINC001139894920 1131649291 /nfs/dbraw/zinc/64/92/91/1131649291.db2.gz KFRRTMJKXHOSRA-FFGGFLGDSA-N 1 1 277.371 3.501 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(Cl)nc1 ZINC001139990441 1131654854 /nfs/dbraw/zinc/65/48/54/1131654854.db2.gz QFGVRBKXJZDDPQ-UHFFFAOYSA-N 1 1 287.794 3.708 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC001144578960 1131660759 /nfs/dbraw/zinc/66/07/59/1131660759.db2.gz UIQNAMHFBBODNL-OAHLLOKOSA-N 1 1 261.368 3.615 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC001144576261 1131661794 /nfs/dbraw/zinc/66/17/94/1131661794.db2.gz ICDUOZVXLILULD-MSOLQXFVSA-N 1 1 253.389 3.823 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1[nH]nc2ccc(OC)cc21 ZINC001140068405 1131662000 /nfs/dbraw/zinc/66/20/00/1131662000.db2.gz JGLCSBNBJVUCKY-UHFFFAOYSA-N 1 1 289.423 3.974 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1n[nH]c2ccc(OC)cc21 ZINC001140068405 1131662002 /nfs/dbraw/zinc/66/20/02/1131662002.db2.gz JGLCSBNBJVUCKY-UHFFFAOYSA-N 1 1 289.423 3.974 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1n[nH]c2ccc(OC)cc21 ZINC001140068405 1131662003 /nfs/dbraw/zinc/66/20/03/1131662003.db2.gz JGLCSBNBJVUCKY-UHFFFAOYSA-N 1 1 289.423 3.974 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC001144576263 1131662278 /nfs/dbraw/zinc/66/22/78/1131662278.db2.gz ICDUOZVXLILULD-ROUUACIJSA-N 1 1 253.389 3.823 20 30 CHEDMO Cc1cccc2c1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001140110388 1131663860 /nfs/dbraw/zinc/66/38/60/1131663860.db2.gz LDQNPNVDKGSDFS-UHFFFAOYSA-N 1 1 287.366 3.864 20 30 CHEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC34CCCCC4)c2c1 ZINC001140111032 1131665141 /nfs/dbraw/zinc/66/51/41/1131665141.db2.gz XFMQKDGSKCCQEG-UHFFFAOYSA-N 1 1 279.387 3.948 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)CC(C)(C)C ZINC001140113616 1131665362 /nfs/dbraw/zinc/66/53/62/1131665362.db2.gz ALUQGRFVULLHDM-UHFFFAOYSA-N 1 1 255.365 3.517 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001140136337 1131666475 /nfs/dbraw/zinc/66/64/75/1131666475.db2.gz WFEVDBNTYFVUTC-QWHCGFSZSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CC[N@H+](Cc1ccc(O)cc1F)C1CCCCC1 ZINC001140129843 1131666673 /nfs/dbraw/zinc/66/66/73/1131666673.db2.gz PJFDBIBCCBRJDC-UHFFFAOYSA-N 1 1 263.356 3.852 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(C)c(OC)c1 ZINC001140159763 1131669503 /nfs/dbraw/zinc/66/95/03/1131669503.db2.gz XTJXCZINKKFKQV-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(C)c(OC)c1 ZINC001140159763 1131669504 /nfs/dbraw/zinc/66/95/04/1131669504.db2.gz XTJXCZINKKFKQV-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cccnc1 ZINC001171202521 1131670128 /nfs/dbraw/zinc/67/01/28/1131670128.db2.gz CQVMGHCMXMOZNR-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001171202798 1131671025 /nfs/dbraw/zinc/67/10/25/1131671025.db2.gz GTMIWRDTVVNIRY-DOMZBBRYSA-N 1 1 296.336 3.558 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140171327 1131671321 /nfs/dbraw/zinc/67/13/21/1131671321.db2.gz MPGVLNOHIXQZFX-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC001171203745 1131673832 /nfs/dbraw/zinc/67/38/32/1131673832.db2.gz POZZSQXQWCEION-CQSZACIVSA-N 1 1 282.362 3.760 20 30 CHEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC001140184981 1131674670 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N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001140321190 1131696052 /nfs/dbraw/zinc/69/60/52/1131696052.db2.gz WVAXQLZVCXKECB-MRXNPFEDSA-N 1 1 291.398 3.874 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2scnc2c1 ZINC001144736775 1131698308 /nfs/dbraw/zinc/69/83/08/1131698308.db2.gz AWLZNZCYBHQHEV-UHFFFAOYSA-N 1 1 293.395 3.800 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](CCC#N)C1CCCC1 ZINC001171221286 1131706219 /nfs/dbraw/zinc/70/62/19/1131706219.db2.gz KAJDFOKMYFAFCY-OAHLLOKOSA-N 1 1 281.403 3.648 20 30 CHEDMO CCC(CC)[N@@H+](CC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171222398 1131708065 /nfs/dbraw/zinc/70/80/65/1131708065.db2.gz HBYCTQPELFPVBB-AWEZNQCLSA-N 1 1 258.409 4.000 20 30 CHEDMO C=CCCCCCCCCC(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001144798222 1131708503 /nfs/dbraw/zinc/70/85/03/1131708503.db2.gz GSQLCLAUGJRISE-KRWDZBQOSA-N 1 1 294.483 3.894 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC2(CCCCC2)C1 ZINC001171228736 1131711387 /nfs/dbraw/zinc/71/13/87/1131711387.db2.gz ILTLYOTUNDCBED-INIZCTEOSA-N 1 1 298.430 3.524 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2n[nH]cc2c1)C1CCCCC1 ZINC001140389458 1131711786 /nfs/dbraw/zinc/71/17/86/1131711786.db2.gz XMYUJMYBPQQBSR-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)C1CCOCC1 ZINC001171231465 1131713372 /nfs/dbraw/zinc/71/33/72/1131713372.db2.gz JZLHYXIFWKZYBY-HNNXBMFYSA-N 1 1 298.430 3.523 20 30 CHEDMO CC(C)(CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000846842379 1131748850 /nfs/dbraw/zinc/74/88/50/1131748850.db2.gz UIPGUVHNNIEJHW-SFHVURJKSA-N 1 1 298.430 3.758 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(Cl)c(F)c1 ZINC000846850564 1131750970 /nfs/dbraw/zinc/75/09/70/1131750970.db2.gz YEPASELOCSRPNL-UHFFFAOYSA-N 1 1 294.757 3.698 20 30 CHEDMO CC(C)ON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000835000399 1131752836 /nfs/dbraw/zinc/75/28/36/1131752836.db2.gz NFWPTRILWJSANJ-UHFFFAOYSA-N 1 1 262.397 3.555 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000847031311 1131773166 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N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001140601684 1131822626 /nfs/dbraw/zinc/82/26/26/1131822626.db2.gz YKGSLNHSWDJBCT-HNNXBMFYSA-N 1 1 297.789 3.596 20 30 CHEDMO C=CC[N@H+](Cc1cc(Cl)ncc1F)C(C)(C)C ZINC001140611782 1131826679 /nfs/dbraw/zinc/82/66/79/1131826679.db2.gz SQEPTMJVTPDBRE-UHFFFAOYSA-N 1 1 256.752 3.661 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Cl)ncc1F)C(C)(C)C ZINC001140611782 1131826683 /nfs/dbraw/zinc/82/66/83/1131826683.db2.gz SQEPTMJVTPDBRE-UHFFFAOYSA-N 1 1 256.752 3.661 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3ccncc31)CC2 ZINC001140640757 1131841059 /nfs/dbraw/zinc/84/10/59/1131841059.db2.gz SQRHIZQRZJXWIK-UHFFFAOYSA-N 1 1 299.377 3.665 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OC)cc1C ZINC001140677981 1131857807 /nfs/dbraw/zinc/85/78/07/1131857807.db2.gz IQUIUZGJBAGGHH-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(OC)cc1C ZINC001140677981 1131857801 /nfs/dbraw/zinc/85/78/01/1131857801.db2.gz IQUIUZGJBAGGHH-UHFFFAOYSA-N 1 1 260.381 3.519 20 30 CHEDMO N#Cc1ccc(C2=CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000348125878 1131886222 /nfs/dbraw/zinc/88/62/22/1131886222.db2.gz PSQWFCAVTHZNBX-UHFFFAOYSA-N 1 1 295.773 3.900 20 30 CHEDMO C=CCOCCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000348195679 1131895473 /nfs/dbraw/zinc/89/54/73/1131895473.db2.gz YDUIADSUCIUNQI-UHFFFAOYSA-N 1 1 271.763 3.504 20 30 CHEDMO CC(=O)/C=C/c1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001228494056 1131897363 /nfs/dbraw/zinc/89/73/63/1131897363.db2.gz IYPYRVNECUFXGD-IPLHWJFFSA-N 1 1 287.403 3.540 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnoc1C)Cc1ccccc1 ZINC000348205368 1131905201 /nfs/dbraw/zinc/90/52/01/1131905201.db2.gz JZKLFNYZHYEQMW-UHFFFAOYSA-N 1 1 256.349 3.561 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnoc1C)Cc1ccccc1 ZINC000348205368 1131905206 /nfs/dbraw/zinc/90/52/06/1131905206.db2.gz JZKLFNYZHYEQMW-UHFFFAOYSA-N 1 1 256.349 3.561 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1F ZINC001140755213 1131907312 /nfs/dbraw/zinc/90/73/12/1131907312.db2.gz VMNIDPGIPFREBG-MLGOLLRUSA-N 1 1 276.330 3.601 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC000348207838 1131907537 /nfs/dbraw/zinc/90/75/37/1131907537.db2.gz ZAGFFHXBUWWTKR-UHFFFAOYSA-N 1 1 252.361 3.660 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000773003287 1131915419 /nfs/dbraw/zinc/91/54/19/1131915419.db2.gz CNFVANGGNXJANK-LLVKDONJSA-N 1 1 293.773 3.723 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000773003813 1131916292 /nfs/dbraw/zinc/91/62/92/1131916292.db2.gz HKCNIFRNUHLZGK-HNNXBMFYSA-N 1 1 277.795 3.731 20 30 CHEDMO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030007 1131923164 /nfs/dbraw/zinc/92/31/64/1131923164.db2.gz IYFVXTKYEKFRHX-CYBMUJFWSA-N 1 1 298.361 3.865 20 30 CHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1OC ZINC000773030852 1131923918 /nfs/dbraw/zinc/92/39/18/1131923918.db2.gz WABWIIJGBDJNCQ-KRWDZBQOSA-N 1 1 298.361 3.947 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC3CCC2CC3)c1Cl ZINC001140809997 1131932763 /nfs/dbraw/zinc/93/27/63/1131932763.db2.gz QDZQHRHGBONQDR-UHFFFAOYSA-N 1 1 260.768 3.586 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1Cl ZINC001140810684 1131933044 /nfs/dbraw/zinc/93/30/44/1131933044.db2.gz CEABWWXMAQJCRP-TZMCWYRMSA-N 1 1 274.795 3.834 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140905040 1131961215 /nfs/dbraw/zinc/96/12/15/1131961215.db2.gz SFERJZQJICXXCF-UHFFFAOYSA-N 1 1 297.345 3.695 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)c([O-])c(F)c1)C1CCCCC1 ZINC001140991915 1131979823 /nfs/dbraw/zinc/97/98/23/1131979823.db2.gz FOFZKDKUTMGQJR-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO C=CC[N@@H+](Cc1cc(F)c(O)c(F)c1)C1CCCCC1 ZINC001140991915 1131979827 /nfs/dbraw/zinc/97/98/27/1131979827.db2.gz FOFZKDKUTMGQJR-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)c(O)c(F)c1)C1CCCCC1 ZINC001140991915 1131979834 /nfs/dbraw/zinc/97/98/34/1131979834.db2.gz FOFZKDKUTMGQJR-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141159046 1132031474 /nfs/dbraw/zinc/03/14/74/1132031474.db2.gz XEWLKCRVJYGJPR-UHFFFAOYSA-N 1 1 283.371 3.676 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1C#N ZINC001141166845 1132034057 /nfs/dbraw/zinc/03/40/57/1132034057.db2.gz KJRSAHGKFWKDPA-UHFFFAOYSA-N 1 1 297.377 3.547 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)Cc1cn[nH]c1 ZINC001203100632 1132034620 /nfs/dbraw/zinc/03/46/20/1132034620.db2.gz ADJVXRLHKNJOIC-UHFFFAOYSA-N 1 1 251.418 3.982 20 30 CHEDMO CCCCCCCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000837157558 1132045312 /nfs/dbraw/zinc/04/53/12/1132045312.db2.gz VCCPAAZQXPUMDE-KRWDZBQOSA-N 1 1 288.435 3.520 20 30 CHEDMO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001141231529 1132051979 /nfs/dbraw/zinc/05/19/79/1132051979.db2.gz VMZAHAGUQBAJBI-ZDUSSCGKSA-N 1 1 262.784 3.774 20 30 CHEDMO C=C(C)CC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC001171567699 1132058501 /nfs/dbraw/zinc/05/85/01/1132058501.db2.gz NRNABQDHXMIZIM-UHFFFAOYSA-N 1 1 296.208 3.610 20 30 CHEDMO C=C(C)CC[N@H+]1CCOc2cccc(Br)c2C1 ZINC001171567699 1132058507 /nfs/dbraw/zinc/05/85/07/1132058507.db2.gz NRNABQDHXMIZIM-UHFFFAOYSA-N 1 1 296.208 3.610 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001171573278 1132059002 /nfs/dbraw/zinc/05/90/02/1132059002.db2.gz ONUPPJWHGHAAIP-CQSZACIVSA-N 1 1 261.796 3.618 20 30 CHEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCc2ccc(Cl)cc21 ZINC001171718714 1132084587 /nfs/dbraw/zinc/08/45/87/1132084587.db2.gz JWBYGQICFHMGLA-ZDUSSCGKSA-N 1 1 288.822 3.995 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CCC23CCCC3)cc1 ZINC001171765155 1132092125 /nfs/dbraw/zinc/09/21/25/1132092125.db2.gz PTJIEUNQBVOTCX-UHFFFAOYSA-N 1 1 259.780 3.710 20 30 CHEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171790213 1132100565 /nfs/dbraw/zinc/10/05/65/1132100565.db2.gz GRAPQIJKPIVXJQ-QGZVFWFLSA-N 1 1 294.373 3.709 20 30 CHEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171790213 1132100571 /nfs/dbraw/zinc/10/05/71/1132100571.db2.gz GRAPQIJKPIVXJQ-QGZVFWFLSA-N 1 1 294.373 3.709 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](CCCc2scnc2C)C1 ZINC001171847486 1132106809 /nfs/dbraw/zinc/10/68/09/1132106809.db2.gz MQQAFDFLLPDUHJ-CQSZACIVSA-N 1 1 264.438 3.672 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1C)[C@@H](C)COC ZINC001171917576 1132109975 /nfs/dbraw/zinc/10/99/75/1132109975.db2.gz ZZNZZKDEGXYYKO-ZDUSSCGKSA-N 1 1 267.800 3.671 20 30 CHEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001171966975 1132112877 /nfs/dbraw/zinc/11/28/77/1132112877.db2.gz QQLLKBCXHBTAMN-SWLSCSKDSA-N 1 1 296.336 3.872 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001172307838 1132153645 /nfs/dbraw/zinc/15/36/45/1132153645.db2.gz GVFSIQQGUDUUFI-UZLBHIALSA-N 1 1 290.410 3.979 20 30 CHEDMO Cc1cccc2c1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308818 1132153929 /nfs/dbraw/zinc/15/39/29/1132153929.db2.gz NPKRHQKJJAFEHH-INIZCTEOSA-N 1 1 290.410 3.856 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1F ZINC001172311927 1132154615 /nfs/dbraw/zinc/15/46/15/1132154615.db2.gz CMPRHQRESHMJEH-HNNXBMFYSA-N 1 1 296.389 3.803 20 30 CHEDMO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)n1 ZINC000838912160 1132158035 /nfs/dbraw/zinc/15/80/35/1132158035.db2.gz GHBRNINUSGUYEQ-GFCCVEGCSA-N 1 1 285.778 3.766 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCc2ccccc2C1 ZINC001172319087 1132158407 /nfs/dbraw/zinc/15/84/07/1132158407.db2.gz KQRVKEIMVAVBLQ-MRXNPFEDSA-N 1 1 290.410 3.938 20 30 CHEDMO Cc1cccc(CC[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172320275 1132158811 /nfs/dbraw/zinc/15/88/11/1132158811.db2.gz UOZKZSWQJPJTEJ-KRWDZBQOSA-N 1 1 292.426 3.972 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001172355377 1132183958 /nfs/dbraw/zinc/18/39/58/1132183958.db2.gz NYSSILPSSFDOQB-OWCLPIDISA-N 1 1 255.446 3.971 20 30 CHEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172332891 1132172508 /nfs/dbraw/zinc/17/25/08/1132172508.db2.gz VFTAGTMIZFNZJM-CABCVRRESA-N 1 1 286.419 3.510 20 30 CHEDMO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172335479 1132173629 /nfs/dbraw/zinc/17/36/29/1132173629.db2.gz FDLCEWYKYBOBQK-LSDHHAIUSA-N 1 1 286.419 3.510 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@H](C)CCO[C@@H](C)CC ZINC001172343773 1132179480 /nfs/dbraw/zinc/17/94/80/1132179480.db2.gz UYCSGALORHZQNY-CABCVRRESA-N 1 1 254.418 3.596 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+][C@H](CC)C(=O)OC ZINC001172347503 1132180512 /nfs/dbraw/zinc/18/05/12/1132180512.db2.gz WCKBORGDDDQBPZ-ZIAGYGMSSA-N 1 1 257.418 3.667 20 30 CHEDMO CCCCCCC[C@@H](CC)N1CC([NH+]2CCCC2)C1 ZINC001172355390 1132184009 /nfs/dbraw/zinc/18/40/09/1132184009.db2.gz OCDFDIFJGOTSBD-MRXNPFEDSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001172355540 1132184112 /nfs/dbraw/zinc/18/41/12/1132184112.db2.gz CHBDZMCBNJENAS-XHSDSOJGSA-N 1 1 253.430 3.704 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001172355538 1132184599 /nfs/dbraw/zinc/18/45/99/1132184599.db2.gz CGBRWKAZBHQRPH-BZUAXINKSA-N 1 1 253.430 3.989 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001172358601 1132187193 /nfs/dbraw/zinc/18/71/93/1132187193.db2.gz QWYPCTMWCUFHOK-XLAORIBOSA-N 1 1 297.483 3.597 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001172362341 1132189251 /nfs/dbraw/zinc/18/92/51/1132189251.db2.gz WFIVOAKMAHWMRN-IAGOWNOFSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC2(CN(C)C2)C1 ZINC001172361774 1132189427 /nfs/dbraw/zinc/18/94/27/1132189427.db2.gz NYCCARQZJIVIGX-MRXNPFEDSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2c(cnn2C)C1 ZINC001172362355 1132189622 /nfs/dbraw/zinc/18/96/22/1132189622.db2.gz WPRQFESRGDUELK-MRXNPFEDSA-N 1 1 277.456 3.917 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C(C)C ZINC000839467071 1132216762 /nfs/dbraw/zinc/21/67/62/1132216762.db2.gz OIDWUQMENCUCFI-UHFFFAOYSA-N 1 1 285.309 3.828 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001172498282 1132248371 /nfs/dbraw/zinc/24/83/71/1132248371.db2.gz KHLJFBOKTREXBV-RANZSIQMSA-N 1 1 290.451 3.596 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001172500850 1132249257 /nfs/dbraw/zinc/24/92/57/1132249257.db2.gz BENMBPDKCNUQDD-KZNAEPCWSA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@H](CCCC#N)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172500850 1132249264 /nfs/dbraw/zinc/24/92/64/1132249264.db2.gz BENMBPDKCNUQDD-KZNAEPCWSA-N 1 1 299.462 3.664 20 30 CHEDMO C[C@H](CCCC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172500850 1132249267 /nfs/dbraw/zinc/24/92/67/1132249267.db2.gz BENMBPDKCNUQDD-KZNAEPCWSA-N 1 1 299.462 3.664 20 30 CHEDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CCCC#N ZINC001172501137 1132249462 /nfs/dbraw/zinc/24/94/62/1132249462.db2.gz PKIYDVPCEZRBLX-KGLIPLIRSA-N 1 1 260.381 3.770 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001172499169 1132250531 /nfs/dbraw/zinc/25/05/31/1132250531.db2.gz VJVFRRGUIBOYFD-KFWWJZLASA-N 1 1 254.377 3.655 20 30 CHEDMO COc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CCCC#N ZINC001172501141 1132250669 /nfs/dbraw/zinc/25/06/69/1132250669.db2.gz PKIYDVPCEZRBLX-UONOGXRCSA-N 1 1 260.381 3.770 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCn2nncc2C1 ZINC001172502109 1132251279 /nfs/dbraw/zinc/25/12/79/1132251279.db2.gz OEUYXJFHHNWOCK-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@@H](CCC)n1c(C)ncc(C[NH3+])c1=N ZINC001172502606 1132251625 /nfs/dbraw/zinc/25/16/25/1132251625.db2.gz RIVNSKXKYZILMV-MRXNPFEDSA-N 1 1 292.471 3.831 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001172504017 1132252295 /nfs/dbraw/zinc/25/22/95/1132252295.db2.gz DRGJPBXZYMDKES-NVXWUHKLSA-N 1 1 272.392 3.612 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@](F)(CO)C1 ZINC001172505634 1132254128 /nfs/dbraw/zinc/25/41/28/1132254128.db2.gz QUORIYRWVYYJTH-CVEARBPZSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@@H+](CC)CCC(N)=O ZINC001172505777 1132254820 /nfs/dbraw/zinc/25/48/20/1132254820.db2.gz USRRXSRNKIKYEE-OAHLLOKOSA-N 1 1 270.461 3.713 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001172512086 1132258486 /nfs/dbraw/zinc/25/84/86/1132258486.db2.gz YOFJGWHBGSONFK-BBWFWOEESA-N 1 1 294.483 3.584 20 30 CHEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172552419 1132263104 /nfs/dbraw/zinc/26/31/04/1132263104.db2.gz LIDZTBJUMRFHBY-KBAYOESNSA-N 1 1 268.404 3.948 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CC(C)(C)OC(C)(C)C1 ZINC001172660466 1132291026 /nfs/dbraw/zinc/29/10/26/1132291026.db2.gz RWMTWVNDUFHEHH-UHFFFAOYSA-N 1 1 286.419 3.726 20 30 CHEDMO CN(C)c1ccc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001231442009 1132293509 /nfs/dbraw/zinc/29/35/09/1132293509.db2.gz ICUUQTMLVJQZJJ-MRXNPFEDSA-N 1 1 293.414 3.641 20 30 CHEDMO CN(C)c1ccc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001231442009 1132293511 /nfs/dbraw/zinc/29/35/11/1132293511.db2.gz ICUUQTMLVJQZJJ-MRXNPFEDSA-N 1 1 293.414 3.641 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(OC(C)C)nc1 ZINC001231539425 1132315086 /nfs/dbraw/zinc/31/50/86/1132315086.db2.gz ZJGVTWGXTQZZKQ-UHFFFAOYSA-N 1 1 262.397 3.657 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C#N)cc1OC)C1CCCCC1 ZINC001231620501 1132326193 /nfs/dbraw/zinc/32/61/93/1132326193.db2.gz CJTZFPIGEJKKNZ-UHFFFAOYSA-N 1 1 284.403 3.888 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CCC)CC2CC2)c1 ZINC001231620412 1132326615 /nfs/dbraw/zinc/32/66/15/1132326615.db2.gz AISZVAQYZAXXES-UHFFFAOYSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c1 ZINC001231624037 1132327726 /nfs/dbraw/zinc/32/77/26/1132327726.db2.gz DNSWPLCKBQFZFO-KRWDZBQOSA-N 1 1 289.419 3.641 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001231621379 1132329084 /nfs/dbraw/zinc/32/90/84/1132329084.db2.gz ZXGYSAFAIFHNHC-MSOLQXFVSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001231621379 1132329089 /nfs/dbraw/zinc/32/90/89/1132329089.db2.gz ZXGYSAFAIFHNHC-MSOLQXFVSA-N 1 1 299.414 3.585 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001231624225 1132329140 /nfs/dbraw/zinc/32/91/40/1132329140.db2.gz JUACSSFTZRVVHV-GASCZTMLSA-N 1 1 259.393 3.729 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001231623710 1132329545 /nfs/dbraw/zinc/32/95/45/1132329545.db2.gz RDGPCVZYENMJFS-GOSISDBHSA-N 1 1 294.398 3.636 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001231660549 1132340127 /nfs/dbraw/zinc/34/01/27/1132340127.db2.gz HVFTZTBNVIEESF-LJQANCHMSA-N 1 1 276.383 3.708 20 30 CHEDMO C#Cc1cccc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001231663844 1132342725 /nfs/dbraw/zinc/34/27/25/1132342725.db2.gz SUEGKEHDNCHQGQ-VQTJNVASSA-N 1 1 296.458 3.507 20 30 CHEDMO C#Cc1cccc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001231663844 1132342732 /nfs/dbraw/zinc/34/27/32/1132342732.db2.gz SUEGKEHDNCHQGQ-VQTJNVASSA-N 1 1 296.458 3.507 20 30 CHEDMO CC(C)Oc1ccc2ccccc2c1C[NH+]1CC(CC#N)C1 ZINC001231734673 1132351034 /nfs/dbraw/zinc/35/10/34/1132351034.db2.gz CDNDGQKMUYJHLD-UHFFFAOYSA-N 1 1 294.398 3.972 20 30 CHEDMO CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001231805751 1132368594 /nfs/dbraw/zinc/36/85/94/1132368594.db2.gz RZKLYHRVZUBURG-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000841493480 1132369435 /nfs/dbraw/zinc/36/94/35/1132369435.db2.gz PQWLPZDMAQFRQL-BEFAXECRSA-N 1 1 294.398 3.593 20 30 CHEDMO CC(NNc1[nH+]cnc(Cl)c1C(C)C)=C1CC1(F)F ZINC000841637489 1132380169 /nfs/dbraw/zinc/38/01/69/1132380169.db2.gz WXQOAROQCGNANS-QMMMGPOBSA-N 1 1 288.729 3.696 20 30 CHEDMO C=CC[N@H+](C)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173085887 1132391555 /nfs/dbraw/zinc/39/15/55/1132391555.db2.gz HASORTXQKDKDJC-LLVKDONJSA-N 1 1 273.298 3.634 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(Cl)cc1O ZINC000841759233 1132393228 /nfs/dbraw/zinc/39/32/28/1132393228.db2.gz XKIXNPVKLYNLCO-SNVBAGLBSA-N 1 1 266.772 3.636 20 30 CHEDMO C=CC[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C(=O)OC ZINC001173115797 1132396349 /nfs/dbraw/zinc/39/63/49/1132396349.db2.gz JKENOBDBIGBSTL-OAHLLOKOSA-N 1 1 279.424 3.587 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC001232005687 1132409388 /nfs/dbraw/zinc/40/93/88/1132409388.db2.gz AVHSNTYAXNDRMC-CYBMUJFWSA-N 1 1 281.321 3.859 20 30 CHEDMO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001173244015 1132417433 /nfs/dbraw/zinc/41/74/33/1132417433.db2.gz RKLWJVADZOMONL-MAUKXSAKSA-N 1 1 270.420 3.806 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC001232115304 1132424348 /nfs/dbraw/zinc/42/43/48/1132424348.db2.gz KDTPXDASWWLPLO-NEPJUHHUSA-N 1 1 262.784 3.832 20 30 CHEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@](N)(CC)CO ZINC001173310540 1132450605 /nfs/dbraw/zinc/45/06/05/1132450605.db2.gz WORAVJKVFBXVGT-HZPDHXFCSA-N 1 1 272.477 3.553 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)nc1C ZINC001232336481 1132456076 /nfs/dbraw/zinc/45/60/76/1132456076.db2.gz PHIZWHQYRZRGHF-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO CSc1cc(C)c(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001232345346 1132457513 /nfs/dbraw/zinc/45/75/13/1132457513.db2.gz BZUXOSBJMHDXJC-UHFFFAOYSA-N 1 1 289.448 3.770 20 30 CHEDMO CSc1cc(C)c(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001232345346 1132457516 /nfs/dbraw/zinc/45/75/16/1132457516.db2.gz BZUXOSBJMHDXJC-UHFFFAOYSA-N 1 1 289.448 3.770 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(OC)cc1C ZINC001232352659 1132459628 /nfs/dbraw/zinc/45/96/28/1132459628.db2.gz QJJMTZLGIUMLFZ-UHFFFAOYSA-N 1 1 296.414 3.977 20 30 CHEDMO C=CCOC1CCC([N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001173320875 1132460311 /nfs/dbraw/zinc/46/03/11/1132460311.db2.gz SYUINXJJJDWTLZ-UHFFFAOYSA-N 1 1 273.420 3.941 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](CC)C2)CC1 ZINC001173323717 1132460580 /nfs/dbraw/zinc/46/05/80/1132460580.db2.gz FNLGNSZKBPLQAP-FHERZECASA-N 1 1 251.414 3.622 20 30 CHEDMO C=CC[N@H+](Cc1cnc(OC)cc1C)C1CCCCC1 ZINC001232354909 1132460893 /nfs/dbraw/zinc/46/08/93/1132460893.db2.gz ZIRJZCUVNURNCG-UHFFFAOYSA-N 1 1 274.408 3.719 20 30 CHEDMO C=CCOC1CCC([N@@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC001173326933 1132461413 /nfs/dbraw/zinc/46/14/13/1132461413.db2.gz WAJBSCREEKLXQO-VNCLNFNDSA-N 1 1 285.431 3.947 20 30 CHEDMO CN(C)CC[C@@H]([NH2+]C1CCC(CC#N)CC1)c1ccccc1 ZINC001173325890 1132461652 /nfs/dbraw/zinc/46/16/52/1132461652.db2.gz PKQOOHRTCIWZKW-NKELODKYSA-N 1 1 299.462 3.741 20 30 CHEDMO C=CCOC1CCC([N@H+](CC2CC2)C(C)C)CC1 ZINC001173327576 1132463015 /nfs/dbraw/zinc/46/30/15/1132463015.db2.gz ORRQMKPQJXFQLI-UHFFFAOYSA-N 1 1 251.414 3.621 20 30 CHEDMO Cc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1OC(C)C ZINC001232391362 1132464332 /nfs/dbraw/zinc/46/43/32/1132464332.db2.gz LHYRQYFCMJLRFA-INIZCTEOSA-N 1 1 286.419 3.908 20 30 CHEDMO N#CCC1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001173338163 1132466119 /nfs/dbraw/zinc/46/61/19/1132466119.db2.gz AEYSGRRLZZQHNF-KVZIAJEVSA-N 1 1 298.430 3.750 20 30 CHEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1ccccc1 ZINC000842857296 1132472216 /nfs/dbraw/zinc/47/22/16/1132472216.db2.gz PWKXWODONGKGRF-YJBOKZPZSA-N 1 1 293.414 3.635 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1ccccc1 ZINC000842857294 1132472408 /nfs/dbraw/zinc/47/24/08/1132472408.db2.gz PWKXWODONGKGRF-MAUKXSAKSA-N 1 1 293.414 3.635 20 30 CHEDMO C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911814 1132476520 /nfs/dbraw/zinc/47/65/20/1132476520.db2.gz KSEUOWHWKHWVNM-KRWDZBQOSA-N 1 1 285.366 3.754 20 30 CHEDMO C=CCOC1CCC([N@H+](C)Cc2cccc(OC)c2)CC1 ZINC001173320260 1132479081 /nfs/dbraw/zinc/47/90/81/1132479081.db2.gz KENRIIWAMDMTHV-UHFFFAOYSA-N 1 1 289.419 3.641 20 30 CHEDMO C#CC[N@H+](Cc1cc(F)ccc1N)[C@@H]1CCc2ccccc21 ZINC001232512475 1132482493 /nfs/dbraw/zinc/48/24/93/1132482493.db2.gz TVZWBZPVCFZVRH-LJQANCHMSA-N 1 1 294.373 3.531 20 30 CHEDMO C=CCCCC[N@H+](C)C1Cc2cc(F)c(F)cc2C1 ZINC001173484132 1132486158 /nfs/dbraw/zinc/48/61/58/1132486158.db2.gz PJFFOMIBHDGBIB-UHFFFAOYSA-N 1 1 265.347 3.720 20 30 CHEDMO C=CC[N@@H+](Cc1cccn2ccnc12)C1CCCCC1 ZINC001142960240 1132488152 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ZINC001173596914 1132497846 /nfs/dbraw/zinc/49/78/46/1132497846.db2.gz BDVUXLYSZPTSSM-UHFFFAOYSA-N 1 1 278.346 3.869 20 30 CHEDMO C[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)CCC1(F)F ZINC001173593202 1132498058 /nfs/dbraw/zinc/49/80/58/1132498058.db2.gz GNYKYSGASXWLIC-HSBZDZAISA-N 1 1 270.367 3.826 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001173599808 1132499871 /nfs/dbraw/zinc/49/98/71/1132499871.db2.gz RDTJVPVAKUMNIS-XNIRIUNOSA-N 1 1 260.425 3.971 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC001232657201 1132502986 /nfs/dbraw/zinc/50/29/86/1132502986.db2.gz QCIZWFYKFQVSMO-UHFFFAOYSA-N 1 1 274.412 3.702 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111684 1132504416 /nfs/dbraw/zinc/50/44/16/1132504416.db2.gz FKFFWHBXEMGALM-AWEZNQCLSA-N 1 1 271.404 3.535 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Br)[nH]1)C(C)(C)C ZINC001232689649 1132508487 /nfs/dbraw/zinc/50/84/87/1132508487.db2.gz IZMQZABWZMUODW-UHFFFAOYSA-N 1 1 271.202 3.564 20 30 CHEDMO 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CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C)cc1C#N ZINC001232968523 1132553158 /nfs/dbraw/zinc/55/31/58/1132553158.db2.gz JNFLCCZDLNKYPO-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001232982603 1132555885 /nfs/dbraw/zinc/55/58/85/1132555885.db2.gz FOHIHMLCXREFIV-AWEZNQCLSA-N 1 1 254.377 3.690 20 30 CHEDMO C#CC[N@@H+](Cc1cc(F)cnc1C)[C@@H]1CCc2ccccc21 ZINC001232989360 1132558333 /nfs/dbraw/zinc/55/83/33/1132558333.db2.gz BJISILFELXNEQJ-LJQANCHMSA-N 1 1 294.373 3.652 20 30 CHEDMO C#CC[N@H+](Cc1cc(F)cnc1C)[C@@H]1CCc2ccccc21 ZINC001232989360 1132558336 /nfs/dbraw/zinc/55/83/36/1132558336.db2.gz BJISILFELXNEQJ-LJQANCHMSA-N 1 1 294.373 3.652 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233045206 1132564703 /nfs/dbraw/zinc/56/47/03/1132564703.db2.gz QYEHONNFJVAUML-QGZVFWFLSA-N 1 1 265.360 3.532 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233045206 1132564704 /nfs/dbraw/zinc/56/47/04/1132564704.db2.gz 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N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2)c(O)c1 ZINC001233383600 1132613802 /nfs/dbraw/zinc/61/38/02/1132613802.db2.gz NZYLXIZNMPDIRT-SFHVURJKSA-N 1 1 292.382 3.991 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)c(O)c1 ZINC001233383600 1132613810 /nfs/dbraw/zinc/61/38/10/1132613810.db2.gz NZYLXIZNMPDIRT-SFHVURJKSA-N 1 1 292.382 3.991 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c([O-])c1 ZINC001233386536 1132614229 /nfs/dbraw/zinc/61/42/29/1132614229.db2.gz XPTYPKSWWSZKGG-QGZVFWFLSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c(O)c1 ZINC001233386536 1132614230 /nfs/dbraw/zinc/61/42/30/1132614230.db2.gz XPTYPKSWWSZKGG-QGZVFWFLSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c(O)c1 ZINC001233386536 1132614233 /nfs/dbraw/zinc/61/42/33/1132614233.db2.gz XPTYPKSWWSZKGG-QGZVFWFLSA-N 1 1 296.345 3.740 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1[O-] ZINC001233386933 1132614373 /nfs/dbraw/zinc/61/43/73/1132614373.db2.gz 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/nfs/dbraw/zinc/48/74/14/1135487414.db2.gz MCKZWQHTGQZBIL-GUDVDZBRSA-N 1 1 298.430 3.607 20 30 CHEDMO CCCCCCCC[C@@H](C)OCCC[NH+]1CCOCC1 ZINC001224867765 1135489643 /nfs/dbraw/zinc/48/96/43/1135489643.db2.gz NGFZKGJIHIBWRN-QGZVFWFLSA-N 1 1 285.472 3.864 20 30 CHEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(CC#N)cc1)C2 ZINC001225268664 1135532313 /nfs/dbraw/zinc/53/23/13/1135532313.db2.gz ZFBXNOWGFIMMLK-VQFNDLOPSA-N 1 1 284.403 3.535 20 30 CHEDMO CC[N@H+]1CCC[C@@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226813326 1135744724 /nfs/dbraw/zinc/74/47/24/1135744724.db2.gz OLXUUFKXQRNIQQ-GOSISDBHSA-N 1 1 280.371 3.575 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cs1 ZINC000353429987 529745348 /nfs/dbraw/zinc/74/53/48/529745348.db2.gz VLAAKQCRGVEKPF-IAQYHMDHSA-N 1 1 297.427 3.915 20 30 CHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCSCC#N ZINC000074991531 260289522 /nfs/dbraw/zinc/28/95/22/260289522.db2.gz BQTYXZDLGRUXNM-INIZCTEOSA-N 1 1 276.449 3.586 20 30 CHEDMO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491387338 261525863 /nfs/dbraw/zinc/52/58/63/261525863.db2.gz XUDVXYAZEHAHBH-UHFFFAOYSA-N 1 1 274.389 3.555 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491387338 261525864 /nfs/dbraw/zinc/52/58/64/261525864.db2.gz XUDVXYAZEHAHBH-UHFFFAOYSA-N 1 1 274.389 3.555 20 30 CHEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000576685844 335234631 /nfs/dbraw/zinc/23/46/31/335234631.db2.gz BJWYOJCDAGVKJR-TUAOUCFPSA-N 1 1 274.330 3.589 20 30 CHEDMO C=CCCCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000574879029 335054860 /nfs/dbraw/zinc/05/48/60/335054860.db2.gz MHUHTSXYURWFKS-UHFFFAOYSA-N 1 1 296.418 3.588 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000336803688 262395527 /nfs/dbraw/zinc/39/55/27/262395527.db2.gz ZICXVJCJWJFEBF-OAHLLOKOSA-N 1 1 257.381 3.548 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000347226825 533496482 /nfs/dbraw/zinc/49/64/82/533496482.db2.gz AUVWGPMMKKLODT-KBPBESRZSA-N 1 1 272.392 3.577 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000035174412 172027673 /nfs/dbraw/zinc/02/76/73/172027673.db2.gz UYSNYJJDDTUHGI-YOEHRIQHSA-N 1 1 254.377 3.713 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)s1 ZINC000334981103 225383404 /nfs/dbraw/zinc/38/34/04/225383404.db2.gz CVMNJACFHWNVNX-AWEZNQCLSA-N 1 1 290.338 3.675 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)s1 ZINC000334981108 225383816 /nfs/dbraw/zinc/38/38/16/225383816.db2.gz CVMNJACFHWNVNX-CQSZACIVSA-N 1 1 290.338 3.675 20 30 CHEDMO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(Br)cc1C#N ZINC000347041894 226024385 /nfs/dbraw/zinc/02/43/85/226024385.db2.gz ZSQSSLRKGLCDSB-QWRGUYRKSA-N 1 1 293.208 3.694 20 30 CHEDMO Cc1cccc(N2CC=C(c3ccc(C#N)cc3)CC2)[nH+]1 ZINC000354795476 227117538 /nfs/dbraw/zinc/11/75/38/227117538.db2.gz UNGABEYVZHYQBR-UHFFFAOYSA-N 1 1 275.355 3.555 20 30 CHEDMO Cc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000352831148 227306495 /nfs/dbraw/zinc/30/64/95/227306495.db2.gz CCWFYUGEKKUIOI-INIZCTEOSA-N 1 1 283.400 3.564 20 30 CHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000353125407 228062071 /nfs/dbraw/zinc/06/20/71/228062071.db2.gz BBDOCEHHMSFCQY-OAHLLOKOSA-N 1 1 282.412 3.918 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1F ZINC000367158852 228147236 /nfs/dbraw/zinc/14/72/36/228147236.db2.gz UTKPXBIUNRGGOU-UHFFFAOYSA-N 1 1 282.318 3.580 20 30 CHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000336228282 228218190 /nfs/dbraw/zinc/21/81/90/228218190.db2.gz WLZQGAGGTLKPMB-ONGXEEELSA-N 1 1 288.338 3.783 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000298028828 260141283 /nfs/dbraw/zinc/14/12/83/260141283.db2.gz FDLIUVSQSKMTKG-AWEZNQCLSA-N 1 1 297.402 3.739 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000298028828 260141284 /nfs/dbraw/zinc/14/12/84/260141284.db2.gz FDLIUVSQSKMTKG-AWEZNQCLSA-N 1 1 297.402 3.739 20 30 CHEDMO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000080274355 260179842 /nfs/dbraw/zinc/17/98/42/260179842.db2.gz OSZIVEHSKDQJFP-NEPJUHHUSA-N 1 1 271.389 3.735 20 30 CHEDMO COc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)cc1C#N ZINC000087833327 260219355 /nfs/dbraw/zinc/21/93/55/260219355.db2.gz VYISMBSCKNRZNB-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1ccc(C[N@H+]2CCc3sccc3[C@@H]2C)cc1C#N ZINC000087833327 260219357 /nfs/dbraw/zinc/21/93/57/260219357.db2.gz VYISMBSCKNRZNB-LBPRGKRZSA-N 1 1 298.411 3.748 20 30 CHEDMO N#CCCCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000057590732 260225373 /nfs/dbraw/zinc/22/53/73/260225373.db2.gz NYGJEMUWMNOWHZ-UHFFFAOYSA-N 1 1 268.360 3.976 20 30 CHEDMO COc1ccc(C[N@@H+](CCCCC#N)[C@@H](C)C2CC2)cc1 ZINC000057620170 260225521 /nfs/dbraw/zinc/22/55/21/260225521.db2.gz SDACVPLREOSDFM-HNNXBMFYSA-N 1 1 286.419 3.990 20 30 CHEDMO C[N@@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000083219158 260347302 /nfs/dbraw/zinc/34/73/02/260347302.db2.gz TZGABBZFNMSZGT-GORDUTHDSA-N 1 1 293.208 3.698 20 30 CHEDMO C[N@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000083219158 260347304 /nfs/dbraw/zinc/34/73/04/260347304.db2.gz TZGABBZFNMSZGT-GORDUTHDSA-N 1 1 293.208 3.698 20 30 CHEDMO C=C(C)C[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000152647598 260662218 /nfs/dbraw/zinc/66/22/18/260662218.db2.gz XVEQASNQJAKMFU-LBPRGKRZSA-N 1 1 250.411 3.591 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449013090 261093013 /nfs/dbraw/zinc/09/30/13/261093013.db2.gz ATLFDVOAGNTOFN-RYUDHWBXSA-N 1 1 266.335 3.550 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000155083567 261097805 /nfs/dbraw/zinc/09/78/05/261097805.db2.gz ULNYFPQAFLSFSD-MRXNPFEDSA-N 1 1 256.393 3.806 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000161738852 261258462 /nfs/dbraw/zinc/25/84/62/261258462.db2.gz SGLZIXWGWZZOCX-SECBINFHSA-N 1 1 252.770 3.699 20 30 CHEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000301641446 261339119 /nfs/dbraw/zinc/33/91/19/261339119.db2.gz YZWPDTMMEHBDIU-DNVCBOLYSA-N 1 1 291.398 3.633 20 30 CHEDMO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000174078172 261556573 /nfs/dbraw/zinc/55/65/73/261556573.db2.gz OVYLMTKEEQWOHY-RYUDHWBXSA-N 1 1 285.416 3.989 20 30 CHEDMO CCOc1c(Cl)cc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000184090058 262008056 /nfs/dbraw/zinc/00/80/56/262008056.db2.gz KLHDUTONYFHKSK-LBPRGKRZSA-N 1 1 296.798 3.529 20 30 CHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000185446264 262054181 /nfs/dbraw/zinc/05/41/81/262054181.db2.gz BUZBZZGWRZAFLX-ZDUSSCGKSA-N 1 1 296.418 3.669 20 30 CHEDMO CC[C@H]([NH2+]CCCC#N)c1nc(C(F)(F)F)cs1 ZINC000185946910 262072348 /nfs/dbraw/zinc/07/23/48/262072348.db2.gz DEADLZPMZOBKOZ-QMMMGPOBSA-N 1 1 277.315 3.506 20 30 CHEDMO CC[N@@H+](CCCCC#N)[C@H](C)Cc1ccsc1 ZINC000187795834 262144211 /nfs/dbraw/zinc/14/42/11/262144211.db2.gz TXUUIIYVKUQPBH-CYBMUJFWSA-N 1 1 250.411 3.695 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000336803687 262395738 /nfs/dbraw/zinc/39/57/38/262395738.db2.gz ZICXVJCJWJFEBF-HNNXBMFYSA-N 1 1 257.381 3.548 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000336828216 262398161 /nfs/dbraw/zinc/39/81/61/262398161.db2.gz XIQHNWOSHXWJJS-MRXNPFEDSA-N 1 1 271.408 3.939 20 30 CHEDMO CCC[N@@H+](C[C@H]1CCCCO1)[C@H](C)c1cccc(C#N)c1 ZINC000411363790 262690749 /nfs/dbraw/zinc/69/07/49/262690749.db2.gz DZKRTLCPEVHRIT-CRAIPNDOSA-N 1 1 286.419 3.900 20 30 CHEDMO C[C@H](C[N@@H+](C)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000264544294 262890364 /nfs/dbraw/zinc/89/03/64/262890364.db2.gz IQTKQWZLOCXCAV-MRXNPFEDSA-N 1 1 294.398 3.824 20 30 CHEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)CO1 ZINC000272045238 263001732 /nfs/dbraw/zinc/00/17/32/263001732.db2.gz RWYNYNSUFLBMEH-NVXWUHKLSA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](C)CO1 ZINC000272045238 263001733 /nfs/dbraw/zinc/00/17/33/263001733.db2.gz RWYNYNSUFLBMEH-NVXWUHKLSA-N 1 1 286.419 3.697 20 30 CHEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000273521720 263017760 /nfs/dbraw/zinc/01/77/60/263017760.db2.gz QRGMVWSQLQPONG-GHMZBOCLSA-N 1 1 281.812 3.886 20 30 CHEDMO Cc1nc([C@@H]2CCC[N@@H+]2CCC(C)(C)C#N)cs1 ZINC000275043215 263032199 /nfs/dbraw/zinc/03/21/99/263032199.db2.gz HRKITPFZHNCSIV-ZDUSSCGKSA-N 1 1 263.410 3.528 20 30 CHEDMO Cc1nc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)cs1 ZINC000275043215 263032200 /nfs/dbraw/zinc/03/22/00/263032200.db2.gz HRKITPFZHNCSIV-ZDUSSCGKSA-N 1 1 263.410 3.528 20 30 CHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H](C)CCC#N)C3)nc2c1 ZINC000276306117 263035897 /nfs/dbraw/zinc/03/58/97/263035897.db2.gz LDEPZMVMTUBMGQ-CABCVRRESA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306117 263035898 /nfs/dbraw/zinc/03/58/98/263035898.db2.gz LDEPZMVMTUBMGQ-CABCVRRESA-N 1 1 296.418 3.743 20 30 CHEDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@H](C)CCC#N)C3)[nH]c2c1 ZINC000276306117 263035899 /nfs/dbraw/zinc/03/58/99/263035899.db2.gz LDEPZMVMTUBMGQ-CABCVRRESA-N 1 1 296.418 3.743 20 30 CHEDMO N#CC1(CCC[N@H+]2CCCc3ccccc3C2)CCOCC1 ZINC000281966124 263073374 /nfs/dbraw/zinc/07/33/74/263073374.db2.gz KTRFFMGRHKCIDC-UHFFFAOYSA-N 1 1 298.430 3.535 20 30 CHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000285432198 263093020 /nfs/dbraw/zinc/09/30/20/263093020.db2.gz RENOXOAPVBLPPR-PKOBYXMFSA-N 1 1 295.430 3.874 20 30 CHEDMO C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293374688 263139552 /nfs/dbraw/zinc/13/95/52/263139552.db2.gz FXZYBORXHNSNDF-SMDDNHRTSA-N 1 1 293.208 3.573 20 30 CHEDMO CCc1ccc([C@H]2CC[N@@H+](CCCSCC#N)C2)cc1 ZINC000293500061 263142055 /nfs/dbraw/zinc/14/20/55/263142055.db2.gz ZPXQCWOLEVHYHE-KRWDZBQOSA-N 1 1 288.460 3.685 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)CCc1cccc(Br)c1 ZINC000298069901 263214894 /nfs/dbraw/zinc/21/48/94/263214894.db2.gz GWHMIJKUXUABGE-LBPRGKRZSA-N 1 1 295.224 3.616 20 30 CHEDMO COCC[C@@H]([NH2+]CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000298424700 263219250 /nfs/dbraw/zinc/21/92/50/263219250.db2.gz GARRYXKKQVMANZ-CYBMUJFWSA-N 1 1 287.190 3.574 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000298528371 263221472 /nfs/dbraw/zinc/22/14/72/263221472.db2.gz MAGJBWUIFMCABK-AWEZNQCLSA-N 1 1 267.376 3.539 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000298528371 263221473 /nfs/dbraw/zinc/22/14/73/263221473.db2.gz MAGJBWUIFMCABK-AWEZNQCLSA-N 1 1 267.376 3.539 20 30 CHEDMO N#CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000299732724 263254107 /nfs/dbraw/zinc/25/41/07/263254107.db2.gz XXGUQWBTEODHBZ-SFHVURJKSA-N 1 1 264.372 3.864 20 30 CHEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000121734947 263297125 /nfs/dbraw/zinc/29/71/25/263297125.db2.gz BVGRWOPABMTGIB-AWEZNQCLSA-N 1 1 285.391 3.619 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000121734947 263297126 /nfs/dbraw/zinc/29/71/26/263297126.db2.gz BVGRWOPABMTGIB-AWEZNQCLSA-N 1 1 285.391 3.619 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000340916449 263314616 /nfs/dbraw/zinc/31/46/16/263314616.db2.gz NCZVYMISLNCLQW-HRCADAONSA-N 1 1 261.413 3.511 20 30 CHEDMO C[C@H](c1c(F)cccc1F)[N@H+](C)CCCSCC#N ZINC000342177281 263393603 /nfs/dbraw/zinc/39/36/03/263393603.db2.gz LODMMRHNPMWWEH-LLVKDONJSA-N 1 1 284.375 3.604 20 30 CHEDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCCSCC#N ZINC000342177281 263393605 /nfs/dbraw/zinc/39/36/05/263393605.db2.gz LODMMRHNPMWWEH-LLVKDONJSA-N 1 1 284.375 3.604 20 30 CHEDMO N#CC1(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000342145902 263399492 /nfs/dbraw/zinc/39/94/92/263399492.db2.gz CGLASBUWYHPQEM-UHFFFAOYSA-N 1 1 260.768 3.613 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000189292688 264287676 /nfs/dbraw/zinc/28/76/76/264287676.db2.gz BTOFRPUGMVCPMN-UHFFFAOYSA-N 1 1 276.383 3.722 20 30 CHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189325801 264289616 /nfs/dbraw/zinc/28/96/16/264289616.db2.gz NTAWQYNMMJVIDE-UHFFFAOYSA-N 1 1 296.817 3.609 20 30 CHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000425479632 264348154 /nfs/dbraw/zinc/34/81/54/264348154.db2.gz QEONSJBNJYEZHJ-HNNXBMFYSA-N 1 1 294.439 3.657 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000094859586 265265868 /nfs/dbraw/zinc/26/58/68/265265868.db2.gz CFIJBVQMKODOPR-UHFFFAOYSA-N 1 1 256.393 3.959 20 30 CHEDMO CCCCOCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173985 265664633 /nfs/dbraw/zinc/66/46/33/265664633.db2.gz MDBHCHSCDURVSL-UHFFFAOYSA-N 1 1 288.435 3.833 20 30 CHEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356280990 266087019 /nfs/dbraw/zinc/08/70/19/266087019.db2.gz NZULSXYNDLICKP-INIZCTEOSA-N 1 1 295.386 3.518 20 30 CHEDMO CC[C@@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000356922417 266211417 /nfs/dbraw/zinc/21/14/17/266211417.db2.gz PLTRKTPHLMLPCP-IEBWSBKVSA-N 1 1 298.430 3.728 20 30 CHEDMO Cc1ccc(N2CCC[N@@H+](CCCC(C)(C)C#N)CC2)cc1 ZINC000363113732 267075535 /nfs/dbraw/zinc/07/55/35/267075535.db2.gz ITPLULQATMUZOQ-UHFFFAOYSA-N 1 1 299.462 3.837 20 30 CHEDMO N#CCCC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000116892629 267186725 /nfs/dbraw/zinc/18/67/25/267186725.db2.gz IEOQZBVKBYALEX-UHFFFAOYSA-N 1 1 276.811 3.898 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCSC1 ZINC000369492848 267246919 /nfs/dbraw/zinc/24/69/19/267246919.db2.gz WYDSPQLGZYCDHO-DJIMGWMZSA-N 1 1 286.444 3.511 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000370690073 267340120 /nfs/dbraw/zinc/34/01/20/267340120.db2.gz LTWALFFIXSTWOP-BPQIPLTHSA-N 1 1 298.430 3.758 20 30 CHEDMO N#CCCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000370757209 267347448 /nfs/dbraw/zinc/34/74/48/267347448.db2.gz NBQBHNYPBZYPSV-HNNXBMFYSA-N 1 1 264.319 3.796 20 30 CHEDMO N#CCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000370757209 267347450 /nfs/dbraw/zinc/34/74/50/267347450.db2.gz NBQBHNYPBZYPSV-HNNXBMFYSA-N 1 1 264.319 3.796 20 30 CHEDMO CC(C)COc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418140684 267362151 /nfs/dbraw/zinc/36/21/51/267362151.db2.gz JYOBSUCCEWUXMY-UHFFFAOYSA-N 1 1 272.392 3.505 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCC1 ZINC000418141585 267363656 /nfs/dbraw/zinc/36/36/56/267363656.db2.gz LIHSEVJGWQCCHV-UHFFFAOYSA-N 1 1 286.272 3.628 20 30 CHEDMO C=CC[N@@H+](Cc1cscn1)CC1CCCCC1 ZINC000171974070 335087158 /nfs/dbraw/zinc/08/71/58/335087158.db2.gz XDJHLCXWEUYHFY-UHFFFAOYSA-N 1 1 250.411 3.711 20 30 CHEDMO C=CC[N@H+](Cc1cscn1)CC1CCCCC1 ZINC000171974070 335087160 /nfs/dbraw/zinc/08/71/60/335087160.db2.gz XDJHLCXWEUYHFY-UHFFFAOYSA-N 1 1 250.411 3.711 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356087330 328860509 /nfs/dbraw/zinc/86/05/09/328860509.db2.gz NPVVFJTXQROGPV-UHFFFAOYSA-N 1 1 271.282 3.585 20 30 CHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCOC1 ZINC000531765411 328031629 /nfs/dbraw/zinc/03/16/29/328031629.db2.gz VXHUOIUBHQSDDM-LBPRGKRZSA-N 1 1 285.840 3.816 20 30 CHEDMO N#Cc1ccc(CNc2cccc3cc[nH+]cc32)c(F)c1 ZINC000531776155 328032521 /nfs/dbraw/zinc/03/25/21/328032521.db2.gz RQUPTKOZTRGOQG-UHFFFAOYSA-N 1 1 277.302 3.858 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000534163950 328037583 /nfs/dbraw/zinc/03/75/83/328037583.db2.gz NXOLQSHFPJSNDT-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000534163950 328037585 /nfs/dbraw/zinc/03/75/85/328037585.db2.gz NXOLQSHFPJSNDT-UHFFFAOYSA-N 1 1 282.774 3.770 20 30 CHEDMO Cc1ccnc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000286075547 328249040 /nfs/dbraw/zinc/24/90/40/328249040.db2.gz LGCITFDTHWRSMN-CQSZACIVSA-N 1 1 277.371 3.602 20 30 CHEDMO C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CC[C@H](C#N)C1 ZINC000293601894 328276964 /nfs/dbraw/zinc/27/69/64/328276964.db2.gz VCLRVWMKNCVEFL-GXSJLCMTSA-N 1 1 299.237 3.635 20 30 CHEDMO Cc1cc(N[C@@H](CCC#N)c2ccccc2)nc(C)[nH+]1 ZINC000164330951 328344039 /nfs/dbraw/zinc/34/40/39/328344039.db2.gz FCCGGXMJJZPSDS-HNNXBMFYSA-N 1 1 266.348 3.550 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCOc1ccccc1C#N ZINC000303694689 328357719 /nfs/dbraw/zinc/35/77/19/328357719.db2.gz MZJLBACBARTDDA-VYDXJSESSA-N 1 1 284.403 3.590 20 30 CHEDMO C=C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533462107 326835757 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/nfs/dbraw/zinc/14/53/22/327145322.db2.gz RHGWLQOAZCVNGV-UHFFFAOYSA-N 1 1 277.795 3.632 20 30 CHEDMO C=CCOCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000559242646 327149330 /nfs/dbraw/zinc/14/93/30/327149330.db2.gz AIUFXKYHUJKAEG-NVXWUHKLSA-N 1 1 259.393 3.662 20 30 CHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410413481 327192563 /nfs/dbraw/zinc/19/25/63/327192563.db2.gz LECGYZVPVSPTKH-IAGOWNOFSA-N 1 1 292.467 3.988 20 30 CHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000093668664 327199205 /nfs/dbraw/zinc/19/92/05/327199205.db2.gz ZWIUKTRGVNDDFN-UHFFFAOYSA-N 1 1 282.387 3.869 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncccc1Cl ZINC000528442466 327203943 /nfs/dbraw/zinc/20/39/43/327203943.db2.gz YMWXCWZPKHYWIA-UHFFFAOYSA-N 1 1 276.767 3.559 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ncccc1Cl ZINC000528442466 327203945 /nfs/dbraw/zinc/20/39/45/327203945.db2.gz YMWXCWZPKHYWIA-UHFFFAOYSA-N 1 1 276.767 3.559 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000042349975 327237654 /nfs/dbraw/zinc/23/76/54/327237654.db2.gz WXKDVSVWRIGYCJ-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000042349975 327237655 /nfs/dbraw/zinc/23/76/55/327237655.db2.gz WXKDVSVWRIGYCJ-UHFFFAOYSA-N 1 1 286.375 3.923 20 30 CHEDMO CCC[N@@H+](CCCCC#N)CCc1cccc(F)c1 ZINC000113266637 327290437 /nfs/dbraw/zinc/29/04/37/327290437.db2.gz BGMLTFWTJKBUFO-UHFFFAOYSA-N 1 1 262.372 3.774 20 30 CHEDMO C=CC[N@@H+](CCC#N)CCCc1ccccc1Cl ZINC000428853814 327387238 /nfs/dbraw/zinc/38/72/38/327387238.db2.gz BHJAGBPFJMHJEM-UHFFFAOYSA-N 1 1 262.784 3.674 20 30 CHEDMO C=CC[N@H+](CCC#N)CCCc1ccccc1Cl ZINC000428853814 327387239 /nfs/dbraw/zinc/38/72/39/327387239.db2.gz BHJAGBPFJMHJEM-UHFFFAOYSA-N 1 1 262.784 3.674 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000377513315 329017203 /nfs/dbraw/zinc/01/72/03/329017203.db2.gz SRWUBPUMNMOBNO-INIZCTEOSA-N 1 1 260.356 3.526 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377784834 329029375 /nfs/dbraw/zinc/02/93/75/329029375.db2.gz PXFASWWIHNJGCP-HZPDHXFCSA-N 1 1 290.451 3.740 20 30 CHEDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000532899635 329171410 /nfs/dbraw/zinc/17/14/10/329171410.db2.gz ZFWIZEHNSFDDAA-ZDUSSCGKSA-N 1 1 268.335 3.890 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccc(F)cc21 ZINC000177683945 329188879 /nfs/dbraw/zinc/18/88/79/329188879.db2.gz KMQPWVJMNCFCAH-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccc(F)cc21 ZINC000177683883 329188925 /nfs/dbraw/zinc/18/89/25/329188925.db2.gz JZCBWEYQZZEWOM-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000179394011 329207056 /nfs/dbraw/zinc/20/70/56/329207056.db2.gz UGKQNQFORKFCRE-ZDUSSCGKSA-N 1 1 295.810 3.516 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000179394011 329207058 /nfs/dbraw/zinc/20/70/58/329207058.db2.gz UGKQNQFORKFCRE-ZDUSSCGKSA-N 1 1 295.810 3.516 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459332700 329210724 /nfs/dbraw/zinc/21/07/24/329210724.db2.gz YWRVJYIBBPDQCN-ZIAGYGMSSA-N 1 1 256.393 3.718 20 30 CHEDMO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000180450453 329217296 /nfs/dbraw/zinc/21/72/96/329217296.db2.gz NJPOJBCFIRPVMR-UHFFFAOYSA-N 1 1 285.416 3.734 20 30 CHEDMO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000180450453 329217298 /nfs/dbraw/zinc/21/72/98/329217298.db2.gz NJPOJBCFIRPVMR-UHFFFAOYSA-N 1 1 285.416 3.734 20 30 CHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000180939922 329224160 /nfs/dbraw/zinc/22/41/60/329224160.db2.gz CVWZNXNZTMHFHV-NSHDSACASA-N 1 1 293.208 3.695 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000180938185 329224200 /nfs/dbraw/zinc/22/42/00/329224200.db2.gz NCWVGYCGFAAXOD-NSHDSACASA-N 1 1 293.208 3.553 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000181050636 329225413 /nfs/dbraw/zinc/22/54/13/329225413.db2.gz MVTZQYCLUBNSOU-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183354255 329247250 /nfs/dbraw/zinc/24/72/50/329247250.db2.gz BTHIVZYEQSKSOV-INIZCTEOSA-N 1 1 290.382 3.609 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC(C)(C)O1 ZINC000186791493 329348742 /nfs/dbraw/zinc/34/87/42/329348742.db2.gz NPUNCQBUWBNIIE-KRWDZBQOSA-N 1 1 284.403 3.504 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000187267432 329356098 /nfs/dbraw/zinc/35/60/98/329356098.db2.gz NGKZZLLRTXAWQL-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1cccnc1)c1ccc(F)c(F)c1 ZINC000187373074 329356801 /nfs/dbraw/zinc/35/68/01/329356801.db2.gz AAQFRIBBGIHACM-MRXNPFEDSA-N 1 1 274.314 3.767 20 30 CHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000187579541 329359107 /nfs/dbraw/zinc/35/91/07/329359107.db2.gz IQVATVMLNIIFRD-CRAIPNDOSA-N 1 1 286.419 3.990 20 30 CHEDMO Cc1nc(C(C)(C)[NH2+]CC#Cc2ccccc2)sc1C ZINC000192112554 329428483 /nfs/dbraw/zinc/42/84/83/329428483.db2.gz GYXVPHJLNLPKKK-UHFFFAOYSA-N 1 1 284.428 3.636 20 30 CHEDMO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C#N)CC1 ZINC000125000693 329576148 /nfs/dbraw/zinc/57/61/48/329576148.db2.gz GSFSBCLNQQHIJQ-LLVKDONJSA-N 1 1 293.208 3.746 20 30 CHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000073415150 329860659 /nfs/dbraw/zinc/86/06/59/329860659.db2.gz LXTFFJOTCWNDBR-LJQANCHMSA-N 1 1 295.430 3.775 20 30 CHEDMO C=CCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000269542216 330070020 /nfs/dbraw/zinc/07/00/20/330070020.db2.gz BBNBXLXLNXCZFQ-UHFFFAOYSA-N 1 1 272.392 3.563 20 30 CHEDMO C#CCCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000271061424 330077711 /nfs/dbraw/zinc/07/77/11/330077711.db2.gz SODNQEOGJUXYPS-CYBMUJFWSA-N 1 1 264.438 3.981 20 30 CHEDMO C#CCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000271051700 330077723 /nfs/dbraw/zinc/07/77/23/330077723.db2.gz QAJSGRPYPRTSHR-MRXNPFEDSA-N 1 1 295.386 3.677 20 30 CHEDMO C=C1CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000271146292 330078057 /nfs/dbraw/zinc/07/80/57/330078057.db2.gz ASIJVJMTFSGAND-UHFFFAOYSA-N 1 1 293.432 3.578 20 30 CHEDMO C=CCCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420734 330093054 /nfs/dbraw/zinc/09/30/54/330093054.db2.gz JQKOLJLCBHYDQU-DLBZAZTESA-N 1 1 277.383 3.944 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000276515705 330114024 /nfs/dbraw/zinc/11/40/24/330114024.db2.gz YBVDSAMOQSFJNL-CYBMUJFWSA-N 1 1 256.349 3.911 20 30 CHEDMO C=C(C)C[N@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000279393282 330123026 /nfs/dbraw/zinc/12/30/26/330123026.db2.gz ULKGSLCRLKKCGK-UHFFFAOYSA-N 1 1 270.376 3.870 20 30 CHEDMO C=C(C)C[N@@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000279393282 330123028 /nfs/dbraw/zinc/12/30/28/330123028.db2.gz ULKGSLCRLKKCGK-UHFFFAOYSA-N 1 1 270.376 3.870 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)cc2F)CC1(C)C ZINC000580442195 330135839 /nfs/dbraw/zinc/13/58/39/330135839.db2.gz GBKUFCAJVKSDNS-OAHLLOKOSA-N 1 1 260.356 3.564 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(C#N)c(F)c1 ZINC000528035639 330302479 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C=CCC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015340 331011821 /nfs/dbraw/zinc/01/18/21/331011821.db2.gz JMYSNRLBOSONTM-CQSZACIVSA-N 1 1 275.783 3.929 20 30 CHEDMO C=CCC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015340 331011822 /nfs/dbraw/zinc/01/18/22/331011822.db2.gz JMYSNRLBOSONTM-CQSZACIVSA-N 1 1 275.783 3.929 20 30 CHEDMO C=C(C)CCN1C[C@H](C)[N@H+](CCC(=C)C)CC1(C)C ZINC000451078387 331015129 /nfs/dbraw/zinc/01/51/29/331015129.db2.gz FAGPJILDUSHUAG-INIZCTEOSA-N 1 1 264.457 3.704 20 30 CHEDMO C=C(C)CCN1CC(C)(C)[N@@H+](CCC(=C)C)C[C@@H]1C ZINC000451078387 331015130 /nfs/dbraw/zinc/01/51/30/331015130.db2.gz FAGPJILDUSHUAG-INIZCTEOSA-N 1 1 264.457 3.704 20 30 CHEDMO C=C(C)CCN1CC(C)(C)[N@H+](CCC(=C)C)C[C@@H]1C ZINC000451078387 331015131 /nfs/dbraw/zinc/01/51/31/331015131.db2.gz FAGPJILDUSHUAG-INIZCTEOSA-N 1 1 264.457 3.704 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451289771 331023266 /nfs/dbraw/zinc/02/32/66/331023266.db2.gz 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CC#CCC[N@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000462329695 331319965 /nfs/dbraw/zinc/31/99/65/331319965.db2.gz YVDJDELNWBFKBP-MJGOQNOKSA-N 1 1 284.447 3.557 20 30 CHEDMO CC#CCCN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462329695 331319966 /nfs/dbraw/zinc/31/99/66/331319966.db2.gz YVDJDELNWBFKBP-MJGOQNOKSA-N 1 1 284.447 3.557 20 30 CHEDMO CC#CCCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462329695 331319967 /nfs/dbraw/zinc/31/99/67/331319967.db2.gz YVDJDELNWBFKBP-MJGOQNOKSA-N 1 1 284.447 3.557 20 30 CHEDMO CC#CCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000462479315 331322669 /nfs/dbraw/zinc/32/26/69/331322669.db2.gz WWIOQWWHHNXESW-AWEZNQCLSA-N 1 1 281.321 3.908 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000463199171 331342078 /nfs/dbraw/zinc/34/20/78/331342078.db2.gz GMYSGRLCWPKMDC-MWDXBVQZSA-N 1 1 265.441 3.604 20 30 CHEDMO CC[N@H+](CCN1CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000465396297 331382653 /nfs/dbraw/zinc/38/26/53/331382653.db2.gz SAXAGHOYNJTNFF-QGZVFWFLSA-N 1 1 299.462 3.673 20 30 CHEDMO CC[N@@H+](CCN1CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000465396297 331382654 /nfs/dbraw/zinc/38/26/54/331382654.db2.gz SAXAGHOYNJTNFF-QGZVFWFLSA-N 1 1 299.462 3.673 20 30 CHEDMO C=C[C@](C)(CC)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478057903 331696899 /nfs/dbraw/zinc/69/68/99/331696899.db2.gz XYIBLQKHKCJCAV-MRXNPFEDSA-N 1 1 294.826 3.942 20 30 CHEDMO Cc1cc(C[NH2+]C2(c3nccs3)CCCC2)ccc1C#N ZINC000488102549 331990132 /nfs/dbraw/zinc/99/01/32/331990132.db2.gz JQAPFXWZISEYQU-UHFFFAOYSA-N 1 1 297.427 3.882 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1C#N ZINC000488442269 332009218 /nfs/dbraw/zinc/00/92/18/332009218.db2.gz TWJJKYQUTIJFAU-WBVHZDCISA-N 1 1 254.377 3.631 20 30 CHEDMO Cc1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)ccc1C#N ZINC000488447784 332009987 /nfs/dbraw/zinc/00/99/87/332009987.db2.gz KOJHLYSUSDIURJ-LJQANCHMSA-N 1 1 298.430 3.790 20 30 CHEDMO COC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Cl)cc1 ZINC000488719523 332022664 /nfs/dbraw/zinc/02/26/64/332022664.db2.gz WXGAQIGADPIOII-SFHVURJKSA-N 1 1 299.801 3.669 20 30 CHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488995923 332037047 /nfs/dbraw/zinc/03/70/47/332037047.db2.gz WFOFYUKGVHLWGO-SFHVURJKSA-N 1 1 286.419 3.648 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000489423727 332051056 /nfs/dbraw/zinc/05/10/56/332051056.db2.gz HBVCCYTYWTVLDZ-CYBMUJFWSA-N 1 1 292.810 3.627 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000489423727 332051057 /nfs/dbraw/zinc/05/10/57/332051057.db2.gz HBVCCYTYWTVLDZ-CYBMUJFWSA-N 1 1 292.810 3.627 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000489482598 332055361 /nfs/dbraw/zinc/05/53/61/332055361.db2.gz OGEHTFQVNDZDAC-MRXNPFEDSA-N 1 1 284.407 3.553 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000489487012 332055776 /nfs/dbraw/zinc/05/57/76/332055776.db2.gz ZQNROMHNBIIDAW-LBPRGKRZSA-N 1 1 260.312 3.507 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000489487012 332055777 /nfs/dbraw/zinc/05/57/77/332055777.db2.gz ZQNROMHNBIIDAW-LBPRGKRZSA-N 1 1 260.312 3.507 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000489499400 332056906 /nfs/dbraw/zinc/05/69/06/332056906.db2.gz NWFGMIAZNNVPJX-CQSZACIVSA-N 1 1 285.416 3.746 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000489499400 332056908 /nfs/dbraw/zinc/05/69/08/332056908.db2.gz NWFGMIAZNNVPJX-CQSZACIVSA-N 1 1 285.416 3.746 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(C(CC)CC)n1 ZINC000489514865 332057884 /nfs/dbraw/zinc/05/78/84/332057884.db2.gz RARUJXJSWRVMSW-MRXNPFEDSA-N 1 1 261.413 3.785 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(C(CC)CC)n1 ZINC000489514865 332057885 /nfs/dbraw/zinc/05/78/85/332057885.db2.gz RARUJXJSWRVMSW-MRXNPFEDSA-N 1 1 261.413 3.785 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000490091506 332081115 /nfs/dbraw/zinc/08/11/15/332081115.db2.gz LLNOHAJJSKHKHM-UHFFFAOYSA-N 1 1 280.362 3.769 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(Cl)cc1 ZINC000491277746 332179565 /nfs/dbraw/zinc/17/95/65/332179565.db2.gz PSKJOXUXWVSVTQ-HNNXBMFYSA-N 1 1 295.773 3.680 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(Cl)cc1 ZINC000491277746 332179566 /nfs/dbraw/zinc/17/95/66/332179566.db2.gz PSKJOXUXWVSVTQ-HNNXBMFYSA-N 1 1 295.773 3.680 20 30 CHEDMO C=CC[N@@H+](CCOc1cccc(F)c1)CCc1ccco1 ZINC000491422044 332208618 /nfs/dbraw/zinc/20/86/18/332208618.db2.gz GRRKKVVELIFYDR-UHFFFAOYSA-N 1 1 289.350 3.528 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)c1 ZINC000172353943 335102492 /nfs/dbraw/zinc/10/24/92/335102492.db2.gz DZQCGBDSELWNAS-XYPHTWIQSA-N 1 1 254.377 3.711 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cccc(Cl)c1 ZINC000249875514 334341724 /nfs/dbraw/zinc/34/17/24/334341724.db2.gz LMRRTLXEKXYFLW-VXGBXAGGSA-N 1 1 250.773 3.883 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cccc(Cl)c1 ZINC000249875514 334341726 /nfs/dbraw/zinc/34/17/26/334341726.db2.gz LMRRTLXEKXYFLW-VXGBXAGGSA-N 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C=CCCC[C@@H](C)[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000552827751 334346806 /nfs/dbraw/zinc/34/68/06/334346806.db2.gz XYEXCCNXOYNDHR-PBHICJAKSA-N 1 1 277.383 3.944 20 30 CHEDMO N#CCCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010596 334355531 /nfs/dbraw/zinc/35/55/31/334355531.db2.gz IXHCPYJLPIQNOV-KRWDZBQOSA-N 1 1 256.393 3.777 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000576385806 335196727 /nfs/dbraw/zinc/19/67/27/335196727.db2.gz IJZHKPDZSOKSQJ-UHFFFAOYSA-N 1 1 286.419 3.990 20 30 CHEDMO C[C@H](C[N@@H+](C)Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000576546127 335217632 /nfs/dbraw/zinc/21/76/32/335217632.db2.gz LFZAPSBJGIFIQO-MRXNPFEDSA-N 1 1 278.399 3.988 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1 ZINC000576862065 335256679 /nfs/dbraw/zinc/25/66/79/335256679.db2.gz CRGWISFTGJKYNL-UHFFFAOYSA-N 1 1 274.191 3.628 20 30 CHEDMO Cc1cnc([C@H]([NH2+]Cc2cc(C#N)cs2)C2CC2)s1 ZINC000177706231 335380211 /nfs/dbraw/zinc/38/02/11/335380211.db2.gz ITDZJZQNDXWTDU-CYBMUJFWSA-N 1 1 289.429 3.626 20 30 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C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000845928034 1131670838 /nfs/dbraw/zinc/67/08/38/1131670838.db2.gz MECJULHVLVFLJA-GOEBONIOSA-N 1 1 264.457 3.584 20 30 CHEDMO C[N@H+](Cc1ccsc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754652 1131907742 /nfs/dbraw/zinc/90/77/42/1131907742.db2.gz GOZXMVLUBKJMAX-UHFFFAOYSA-N 1 1 278.327 3.530 20 30 CHEDMO C[N@@H+](Cc1ccsc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754652 1131907745 /nfs/dbraw/zinc/90/77/45/1131907745.db2.gz GOZXMVLUBKJMAX-UHFFFAOYSA-N 1 1 278.327 3.530 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(C)nnc2C1 ZINC001172353929 1132184665 /nfs/dbraw/zinc/18/46/65/1132184665.db2.gz CFSHECFDRTXYCS-HNNXBMFYSA-N 1 1 278.444 3.541 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(C)nnc2C1 ZINC001172353929 1132184668 /nfs/dbraw/zinc/18/46/68/1132184668.db2.gz CFSHECFDRTXYCS-HNNXBMFYSA-N 1 1 278.444 3.541 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@H](C)CCCC#N ZINC001172509663 1132257199 /nfs/dbraw/zinc/25/71/99/1132257199.db2.gz NKJJDBVLFOZNDV-GFCCVEGCSA-N 1 1 266.335 3.869 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1ccc(C)nn1 ZINC000840911430 1132308773 /nfs/dbraw/zinc/30/87/73/1132308773.db2.gz AMNNTRISROELHT-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc(C(F)(F)F)n1 ZINC001232074107 1132418038 /nfs/dbraw/zinc/41/80/38/1132418038.db2.gz SDHJRBAOHQSDJG-UHFFFAOYSA-N 1 1 272.314 3.889 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115305 1132423718 /nfs/dbraw/zinc/42/37/18/1132423718.db2.gz KDTPXDASWWLPLO-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001208171508 1133896450 /nfs/dbraw/zinc/89/64/50/1133896450.db2.gz VSILWWNFAFPWNJ-KGLIPLIRSA-N 1 1 273.342 3.968 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001208171508 1133896456 /nfs/dbraw/zinc/89/64/56/1133896456.db2.gz VSILWWNFAFPWNJ-KGLIPLIRSA-N 1 1 273.342 3.968 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](CCC)C(=O)c1ccccc1 ZINC001209164178 1133983014 /nfs/dbraw/zinc/98/30/14/1133983014.db2.gz UIHWSKBXIQITLE-MRXNPFEDSA-N 1 1 259.393 3.936 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001209207027 1133987298 /nfs/dbraw/zinc/98/72/98/1133987298.db2.gz IDJGBAGGVHGADL-AWEZNQCLSA-N 1 1 267.413 3.539 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001209443144 1134021951 /nfs/dbraw/zinc/02/19/51/1134021951.db2.gz MTNHBKPDIFSXES-CVEARBPZSA-N 1 1 253.430 3.748 20 30 CHEDMO C=CCCCCCC[N@H+]1CCC[C@H]1c1cnccn1 ZINC001209435564 1134018161 /nfs/dbraw/zinc/01/81/61/1134018161.db2.gz FEWFFMIONZQGPW-INIZCTEOSA-N 1 1 259.397 3.750 20 30 CHEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134446694 1125518265 /nfs/dbraw/zinc/51/82/65/1125518265.db2.gz KUKMLTOPSLHNGH-JTQLQIEISA-N 1 1 290.354 3.917 20 30 CHEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cs1 ZINC000348310121 1125519357 /nfs/dbraw/zinc/51/93/57/1125519357.db2.gz AMNBANDMQBLKHW-LBPRGKRZSA-N 1 1 285.416 3.622 20 30 CHEDMO Cc1occc1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000118532710 1125522934 /nfs/dbraw/zinc/52/29/34/1125522934.db2.gz SPBRUTQLVRAHNQ-GFCCVEGCSA-N 1 1 254.333 3.653 20 30 CHEDMO C[C@H](C#N)C[N@H+](CCOc1ccc2ccccc2c1)C1CC1 ZINC000532816835 1125584437 /nfs/dbraw/zinc/58/44/37/1125584437.db2.gz UEAQPVXIWCAGDH-OAHLLOKOSA-N 1 1 294.398 3.843 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CCOc1ccc2ccccc2c1)C1CC1 ZINC000532816835 1125584443 /nfs/dbraw/zinc/58/44/43/1125584443.db2.gz UEAQPVXIWCAGDH-OAHLLOKOSA-N 1 1 294.398 3.843 20 30 CHEDMO C=CC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245726935 1125591910 /nfs/dbraw/zinc/59/19/10/1125591910.db2.gz PQLUOSOQHOMLRS-DSLXNQLJSA-N 1 1 284.447 3.736 20 30 CHEDMO C=CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245726950 1125591996 /nfs/dbraw/zinc/59/19/96/1125591996.db2.gz PQLUOSOQHOMLRS-OWYHZJEWSA-N 1 1 284.447 3.736 20 30 CHEDMO C=CCCC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000533498696 1125611799 /nfs/dbraw/zinc/61/17/99/1125611799.db2.gz IZFLNXSZZRLCJV-HNNXBMFYSA-N 1 1 274.408 3.692 20 30 CHEDMO Cc1ccc(OCCC[N@@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000533598350 1125618928 /nfs/dbraw/zinc/61/89/28/1125618928.db2.gz TUNRVIHHSOSBEG-CQSZACIVSA-N 1 1 286.419 3.696 20 30 CHEDMO Cc1ccc(OCCC[N@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000533598350 1125618937 /nfs/dbraw/zinc/61/89/37/1125618937.db2.gz TUNRVIHHSOSBEG-CQSZACIVSA-N 1 1 286.419 3.696 20 30 CHEDMO C=C(C)[C@H]([NH2+]Cc1[nH]nc(C)c1C)c1ccc(F)c(F)c1 ZINC000886067179 1125643280 /nfs/dbraw/zinc/64/32/80/1125643280.db2.gz IDTPCCADDIXQBD-INIZCTEOSA-N 1 1 291.345 3.712 20 30 CHEDMO CCC[N@@H+](CCCCC#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246838413 1125650317 /nfs/dbraw/zinc/65/03/17/1125650317.db2.gz CGORNNILHMSDDM-HUUCEWRRSA-N 1 1 266.429 3.596 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCCC#N)CC[C@H]1c1ccccc1 ZINC000246937107 1125650425 /nfs/dbraw/zinc/65/04/25/1125650425.db2.gz QPCBLXAULHPFNR-NVXWUHKLSA-N 1 1 256.393 3.806 20 30 CHEDMO C[C@H]1C[N@@H+](CCCCC#N)CC[C@H]1c1ccccc1 ZINC000246937081 1125650612 /nfs/dbraw/zinc/65/06/12/1125650612.db2.gz QPCBLXAULHPFNR-DOTOQJQBSA-N 1 1 256.393 3.806 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886204732 1125661325 /nfs/dbraw/zinc/66/13/25/1125661325.db2.gz OPYSLANYUZTIJD-NJAFHUGGSA-N 1 1 298.430 3.514 20 30 CHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCCC#N ZINC000247515044 1125657423 /nfs/dbraw/zinc/65/74/23/1125657423.db2.gz KBVZJSRFDAMIQW-BFYDXBDKSA-N 1 1 272.392 3.531 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC001137225867 1125657613 /nfs/dbraw/zinc/65/76/13/1125657613.db2.gz FQXMDJBKBZSXGP-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000886181636 1125659950 /nfs/dbraw/zinc/65/99/50/1125659950.db2.gz QHCPCEKTRFIMKI-GOSISDBHSA-N 1 1 298.430 3.510 20 30 CHEDMO C[C@@H](C[N@H+](C)[C@@H](C)CC#N)c1cccc(Cl)c1 ZINC000249936951 1125682734 /nfs/dbraw/zinc/68/27/34/1125682734.db2.gz SGQZTTWEFGDZIR-RYUDHWBXSA-N 1 1 250.773 3.677 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000076738255 1125684459 /nfs/dbraw/zinc/68/44/59/1125684459.db2.gz NVBAVDANJCXLMB-CYBMUJFWSA-N 1 1 292.448 3.634 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000076735254 1125684646 /nfs/dbraw/zinc/68/46/46/1125684646.db2.gz WPDHOULVVRAKCA-ZDUSSCGKSA-N 1 1 292.448 3.634 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000886541303 1125687266 /nfs/dbraw/zinc/68/72/66/1125687266.db2.gz TYKSRQJNUBRKQQ-DYVFJYSZSA-N 1 1 266.344 3.734 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@H]1c1ccccc1 ZINC000886546056 1125688182 /nfs/dbraw/zinc/68/81/82/1125688182.db2.gz XIWUZFRVWDDEPF-GDBMZVCRSA-N 1 1 274.433 3.716 20 30 CHEDMO C#CC[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCc2ccccc21 ZINC000179203516 1125695925 /nfs/dbraw/zinc/69/59/25/1125695925.db2.gz LCXPGAHMFHOOAM-IBGZPJMESA-N 1 1 293.414 3.587 20 30 CHEDMO C#CC[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCc2ccccc21 ZINC000179203516 1125695927 /nfs/dbraw/zinc/69/59/27/1125695927.db2.gz LCXPGAHMFHOOAM-IBGZPJMESA-N 1 1 293.414 3.587 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000191989310 1125724733 /nfs/dbraw/zinc/72/47/33/1125724733.db2.gz BYVBSQRCUXKWLE-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000084131598 1125726997 /nfs/dbraw/zinc/72/69/97/1125726997.db2.gz DGCRUNIKNMKTAX-KRWDZBQOSA-N 1 1 296.418 3.887 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CC)CC2CC2)c1O ZINC000261459822 1125733270 /nfs/dbraw/zinc/73/32/70/1125733270.db2.gz LNTYDGVFALHGHN-UHFFFAOYSA-N 1 1 289.419 3.751 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2ccccc2o1 ZINC000615092174 1125752514 /nfs/dbraw/zinc/75/25/14/1125752514.db2.gz GUHAYWREQAKWAX-LBPRGKRZSA-N 1 1 277.327 3.550 20 30 CHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000611561533 1125753628 /nfs/dbraw/zinc/75/36/28/1125753628.db2.gz YJDFBFYWSYICHH-ZJUUUORDSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)s1 ZINC000611561533 1125753634 /nfs/dbraw/zinc/75/36/34/1125753634.db2.gz YJDFBFYWSYICHH-ZJUUUORDSA-N 1 1 288.338 3.783 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C)cs1 ZINC000192176998 1125759414 /nfs/dbraw/zinc/75/94/14/1125759414.db2.gz UDPLFRGBKLARSM-CQSZACIVSA-N 1 1 289.379 3.703 20 30 CHEDMO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(C)c1OC(F)F ZINC000093090606 1125764883 /nfs/dbraw/zinc/76/48/83/1125764883.db2.gz YCEKHHQOSMQJJR-LBPRGKRZSA-N 1 1 282.334 3.639 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(C)c1OC(F)F ZINC000093090606 1125764892 /nfs/dbraw/zinc/76/48/92/1125764892.db2.gz YCEKHHQOSMQJJR-LBPRGKRZSA-N 1 1 282.334 3.639 20 30 CHEDMO C=C(C)CC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000509687110 1125776279 /nfs/dbraw/zinc/77/62/79/1125776279.db2.gz TWZFZMVSHNDHCG-QGZVFWFLSA-N 1 1 272.436 3.549 20 30 CHEDMO C=CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246272803 1129265451 /nfs/dbraw/zinc/26/54/51/1129265451.db2.gz RXSAOVNXHLTBMK-IAGOWNOFSA-N 1 1 259.393 3.541 20 30 CHEDMO C=C(Cl)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736945238 1129382143 /nfs/dbraw/zinc/38/21/43/1129382143.db2.gz FSXMXKURIKJOJZ-AAEUAGOBSA-N 1 1 253.748 3.756 20 30 CHEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCC1 ZINC000738315515 1129392924 /nfs/dbraw/zinc/39/29/24/1129392924.db2.gz WKKCSAMMYFGLPI-UHFFFAOYSA-N 1 1 278.783 3.617 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000740875220 1129421657 /nfs/dbraw/zinc/42/16/57/1129421657.db2.gz LRHZNYLAXQWRGP-OAHLLOKOSA-N 1 1 263.429 3.950 20 30 CHEDMO CCCCCCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000740875220 1129421659 /nfs/dbraw/zinc/42/16/59/1129421659.db2.gz LRHZNYLAXQWRGP-OAHLLOKOSA-N 1 1 263.429 3.950 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000740875220 1129421660 /nfs/dbraw/zinc/42/16/60/1129421660.db2.gz LRHZNYLAXQWRGP-OAHLLOKOSA-N 1 1 263.429 3.950 20 30 CHEDMO C=C(Cl)C[N@@H+](CCOCC)[C@@H]1CCc2ccccc21 ZINC000741244973 1129432319 /nfs/dbraw/zinc/43/23/19/1129432319.db2.gz MJMIHUMDFXGMOQ-MRXNPFEDSA-N 1 1 279.811 3.765 20 30 CHEDMO C=C(Cl)C[N@H+](CCOCC)[C@@H]1CCc2ccccc21 ZINC000741244973 1129432321 /nfs/dbraw/zinc/43/23/21/1129432321.db2.gz MJMIHUMDFXGMOQ-MRXNPFEDSA-N 1 1 279.811 3.765 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1Cl ZINC001169864814 1129762681 /nfs/dbraw/zinc/76/26/81/1129762681.db2.gz VFNCQSZYJFYJPD-GFCCVEGCSA-N 1 1 251.757 3.586 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001169864814 1129762685 /nfs/dbraw/zinc/76/26/85/1129762685.db2.gz VFNCQSZYJFYJPD-GFCCVEGCSA-N 1 1 251.757 3.586 20 30 CHEDMO C=CC[C@H]([NH2+][C@@H](C)c1cscn1)c1ccncc1 ZINC000768103578 1129831216 /nfs/dbraw/zinc/83/12/16/1129831216.db2.gz HFJYEGIJFDKDMJ-AAEUAGOBSA-N 1 1 259.378 3.506 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cc2c(ccnc2Cl)o1 ZINC000903101795 1130112500 /nfs/dbraw/zinc/11/25/00/1130112500.db2.gz MOPTWLLRFFYCJZ-VIFPVBQESA-N 1 1 277.755 3.682 20 30 CHEDMO Cc1ccc2cc([C@H](C)[NH2+]CC(C)(C)C#N)oc2c1 ZINC000903101878 1130112756 /nfs/dbraw/zinc/11/27/56/1130112756.db2.gz OOIZIACFLPKIGC-LBPRGKRZSA-N 1 1 256.349 3.942 20 30 CHEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1ccccc1 ZINC000164636819 1129209694 /nfs/dbraw/zinc/20/96/94/1129209694.db2.gz TVHWSFQQDIXQIE-UHFFFAOYSA-N 1 1 270.376 3.522 20 30 CHEDMO CC(C)(C#N)CCCO[NH+]=C(N)CCCc1ccccc1 ZINC000135495128 1126719259 /nfs/dbraw/zinc/71/92/59/1126719259.db2.gz IESILWACBQMHMU-UHFFFAOYSA-N 1 1 287.407 3.628 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(C)c2)no1 ZINC000899998034 1126722384 /nfs/dbraw/zinc/72/23/84/1126722384.db2.gz AUNOZYLYNPITFA-CYBMUJFWSA-N 1 1 275.327 3.540 20 30 CHEDMO C=C(C)C[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001118798099 1131237696 /nfs/dbraw/zinc/23/76/96/1131237696.db2.gz WTLMPQGCODWUPG-UHFFFAOYSA-N 1 1 273.298 3.636 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1F ZINC000042336074 1126742957 /nfs/dbraw/zinc/74/29/57/1126742957.db2.gz BLNPXFYFEARZBW-LLVKDONJSA-N 1 1 272.298 3.687 20 30 CHEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CC)cc(OC)c1O ZINC000482496232 1126761444 /nfs/dbraw/zinc/76/14/44/1126761444.db2.gz OBZZRMXSMBBULM-CZUORRHYSA-N 1 1 289.419 3.750 20 30 CHEDMO C=CCOCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000567994643 1126762891 /nfs/dbraw/zinc/76/28/91/1126762891.db2.gz RBPXALKOZAYACQ-UHFFFAOYSA-N 1 1 296.414 3.595 20 30 CHEDMO C=CC[N@H+](Cc1cccc(Br)c1OC)C1CC1 ZINC000482524690 1126764009 /nfs/dbraw/zinc/76/40/09/1126764009.db2.gz HIOAVGAZAUNVGM-UHFFFAOYSA-N 1 1 296.208 3.608 20 30 CHEDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000483149997 1126770226 /nfs/dbraw/zinc/77/02/26/1126770226.db2.gz OSSRTFJLROCCQL-UHFFFAOYSA-N 1 1 295.430 3.597 20 30 CHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC001204015596 1126765640 /nfs/dbraw/zinc/76/56/40/1126765640.db2.gz IAHJIVCUWMXRLI-HNNXBMFYSA-N 1 1 298.411 3.663 20 30 CHEDMO Cc1csc([C@@H]([NH2+]Cc2cccc(C#N)c2)C2CC2)n1 ZINC000174542931 1126771430 /nfs/dbraw/zinc/77/14/30/1126771430.db2.gz BUHOVJBDGGIMAI-HNNXBMFYSA-N 1 1 283.400 3.564 20 30 CHEDMO CC[N@H+](Cc1ccccc1C#N)[C@H](C)c1cccc(O)c1 ZINC000174614441 1126772340 /nfs/dbraw/zinc/77/23/40/1126772340.db2.gz WSKXRKMCPVZZEX-CQSZACIVSA-N 1 1 280.371 3.847 20 30 CHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@H](C)c1cccc(O)c1 ZINC000174614441 1126772343 /nfs/dbraw/zinc/77/23/43/1126772343.db2.gz WSKXRKMCPVZZEX-CQSZACIVSA-N 1 1 280.371 3.847 20 30 CHEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)c2ccccc2n1 ZINC000174697627 1126772830 /nfs/dbraw/zinc/77/28/30/1126772830.db2.gz ZRBUZQJOCGIDCK-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)c2ccccc2n1 ZINC000174697627 1126772832 /nfs/dbraw/zinc/77/28/32/1126772832.db2.gz ZRBUZQJOCGIDCK-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000174814615 1126773630 /nfs/dbraw/zinc/77/36/30/1126773630.db2.gz NMOOFMAUNQXDTL-UHFFFAOYSA-N 1 1 288.391 3.567 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000174816288 1126773785 /nfs/dbraw/zinc/77/37/85/1126773785.db2.gz JYOCOWWOWALZFB-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000174816288 1126773787 /nfs/dbraw/zinc/77/37/87/1126773787.db2.gz JYOCOWWOWALZFB-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO Cc1ccc(C(C)(C)C[N@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000483276991 1126777607 /nfs/dbraw/zinc/77/76/07/1126777607.db2.gz BYCYTQYLVVQSNR-UHFFFAOYSA-N 1 1 295.430 3.615 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccccc1OC1CCCC1 ZINC000483402159 1126784033 /nfs/dbraw/zinc/78/40/33/1126784033.db2.gz GTLGQXAOVBTNPY-UHFFFAOYSA-N 1 1 289.419 3.642 20 30 CHEDMO CC1=C(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000483346550 1126783236 /nfs/dbraw/zinc/78/32/36/1126783236.db2.gz VIKVOMRMDJKQOG-UHFFFAOYSA-N 1 1 292.329 3.702 20 30 CHEDMO CC1=C(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000483346550 1126783239 /nfs/dbraw/zinc/78/32/39/1126783239.db2.gz VIKVOMRMDJKQOG-UHFFFAOYSA-N 1 1 292.329 3.702 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000483527477 1126790310 /nfs/dbraw/zinc/79/03/10/1126790310.db2.gz KSPRNHMDKPLSAS-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000483539638 1126793045 /nfs/dbraw/zinc/79/30/45/1126793045.db2.gz BNPDJWINKKZJID-IBGZPJMESA-N 1 1 261.368 3.657 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483602702 1126794602 /nfs/dbraw/zinc/79/46/02/1126794602.db2.gz DCICSWGZFHLFNL-IBGZPJMESA-N 1 1 275.395 3.836 20 30 CHEDMO Fc1cccc(F)c1[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483691972 1126797373 /nfs/dbraw/zinc/79/73/73/1126797373.db2.gz VKOMBDKQHNLOGX-INIZCTEOSA-N 1 1 297.348 3.806 20 30 CHEDMO Fc1cccc(F)c1[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483691972 1126797378 /nfs/dbraw/zinc/79/73/78/1126797378.db2.gz VKOMBDKQHNLOGX-INIZCTEOSA-N 1 1 297.348 3.806 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000483973465 1126807008 /nfs/dbraw/zinc/80/70/08/1126807008.db2.gz GECFDAZVTZPDBE-YLJYHZDGSA-N 1 1 275.395 3.916 20 30 CHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483939495 1126806860 /nfs/dbraw/zinc/80/68/60/1126806860.db2.gz JXILQQLZRMSJSP-QWHCGFSZSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000483953049 1126806875 /nfs/dbraw/zinc/80/68/75/1126806875.db2.gz AHYIRBIGEYZIQW-QFBILLFUSA-N 1 1 261.368 3.731 20 30 CHEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000483988676 1126807600 /nfs/dbraw/zinc/80/76/00/1126807600.db2.gz VWNBJFUTMKZNPC-IPMKNSEASA-N 1 1 297.442 3.564 20 30 CHEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000483988679 1126808065 /nfs/dbraw/zinc/80/80/65/1126808065.db2.gz VWNBJFUTMKZNPC-QRVBRYPASA-N 1 1 297.442 3.564 20 30 CHEDMO CC1(C)CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000484007669 1126808080 /nfs/dbraw/zinc/80/80/80/1126808080.db2.gz NVHCSTXVXCOZHP-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCCC12CCCCC2 ZINC000484082922 1126809408 /nfs/dbraw/zinc/80/94/08/1126809408.db2.gz MCQRCFWEHMUCRV-UHFFFAOYSA-N 1 1 253.389 3.837 20 30 CHEDMO C=CC[N@@H+](Cc1nc(CC(C)C)no1)CC1CCCCC1 ZINC000484487267 1126818774 /nfs/dbraw/zinc/81/87/74/1126818774.db2.gz MNZAPPPPLWDQMF-UHFFFAOYSA-N 1 1 291.439 3.836 20 30 CHEDMO C=CC[N@H+](Cc1nc(CC(C)C)no1)CC1CCCCC1 ZINC000484487267 1126818777 /nfs/dbraw/zinc/81/87/77/1126818777.db2.gz MNZAPPPPLWDQMF-UHFFFAOYSA-N 1 1 291.439 3.836 20 30 CHEDMO C=CC[N@H+](CCOCC(F)(F)F)CC1CCCCC1 ZINC000484691041 1126839952 /nfs/dbraw/zinc/83/99/52/1126839952.db2.gz RJHDJPNNCVFLNW-UHFFFAOYSA-N 1 1 279.346 3.634 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2C)no1 ZINC000904551054 1126856442 /nfs/dbraw/zinc/85/64/42/1126856442.db2.gz KUEPYJDOPGQDOE-ZDUSSCGKSA-N 1 1 275.327 3.540 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000904578124 1126857381 /nfs/dbraw/zinc/85/73/81/1126857381.db2.gz XCUOWOKGQDLLTR-ZDUSSCGKSA-N 1 1 263.385 3.549 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000904576160 1126861314 /nfs/dbraw/zinc/86/13/14/1126861314.db2.gz GLVFJLNJHGKISD-AVGNSLFASA-N 1 1 263.385 3.719 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2c[nH]c3ccccc23)no1 ZINC000904684918 1126865127 /nfs/dbraw/zinc/86/51/27/1126865127.db2.gz ZYJKCNVIMRQWGC-ZDUSSCGKSA-N 1 1 282.347 3.574 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000904698787 1126867556 /nfs/dbraw/zinc/86/75/56/1126867556.db2.gz AQYCAXQFTLRHMC-OAHLLOKOSA-N 1 1 299.418 3.946 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2occc2C(C)C)no1 ZINC000904723234 1126867028 /nfs/dbraw/zinc/86/70/28/1126867028.db2.gz BDUBVUAZTVLIJF-LBPRGKRZSA-N 1 1 275.352 3.809 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CCCc1ccccc1Cl ZINC000182003260 1126863583 /nfs/dbraw/zinc/86/35/83/1126863583.db2.gz BXGDWYLHOJUUOC-GFCCVEGCSA-N 1 1 250.773 3.507 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000904698786 1126867758 /nfs/dbraw/zinc/86/77/58/1126867758.db2.gz AQYCAXQFTLRHMC-HNNXBMFYSA-N 1 1 299.418 3.946 20 30 CHEDMO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000182586163 1126874736 /nfs/dbraw/zinc/87/47/36/1126874736.db2.gz ICBATIDTARCRHM-SWLSCSKDSA-N 1 1 275.783 3.824 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235139872 1130714187 /nfs/dbraw/zinc/71/41/87/1130714187.db2.gz DZNPHGIAHCJZFZ-UHFFFAOYSA-N 1 1 264.457 3.731 20 30 CHEDMO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C)cs1 ZINC000184347255 1126895227 /nfs/dbraw/zinc/89/52/27/1126895227.db2.gz DWDNRTRSPUMPOQ-HNNXBMFYSA-N 1 1 288.391 3.683 20 30 CHEDMO C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827463 1126903259 /nfs/dbraw/zinc/90/32/59/1126903259.db2.gz AUCZOFNQWWTKMJ-BQFCYCMXSA-N 1 1 299.462 3.788 20 30 CHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000186453935 1126907047 /nfs/dbraw/zinc/90/70/47/1126907047.db2.gz CSEPVNKUSZZHIT-MEDUHNTESA-N 1 1 291.345 3.666 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000187063574 1126908400 /nfs/dbraw/zinc/90/84/00/1126908400.db2.gz QQHWWZRRLBSHNZ-GFCCVEGCSA-N 1 1 268.385 3.739 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000668492933 1126917766 /nfs/dbraw/zinc/91/77/66/1126917766.db2.gz HVIDYCFPMKJFCX-CYBMUJFWSA-N 1 1 256.349 3.616 20 30 CHEDMO CCN(C)c1ccc(C(C)=[NH+]OCCC(F)(F)F)cc1 ZINC000777460305 1126942821 /nfs/dbraw/zinc/94/28/21/1126942821.db2.gz WIDOGEZTXUEQDG-UHFFFAOYSA-N 1 1 288.313 3.836 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485788144 1126953349 /nfs/dbraw/zinc/95/33/49/1126953349.db2.gz FGSIXOOFOPESPC-ZDUSSCGKSA-N 1 1 262.353 3.862 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485788143 1126953360 /nfs/dbraw/zinc/95/33/60/1126953360.db2.gz FGSIXOOFOPESPC-CYBMUJFWSA-N 1 1 262.353 3.862 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906598179 1126961071 /nfs/dbraw/zinc/96/10/71/1126961071.db2.gz UEUZICHMQAAWPQ-HZPDHXFCSA-N 1 1 286.375 3.747 20 30 CHEDMO C=CCCCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000193561786 1126969154 /nfs/dbraw/zinc/96/91/54/1126969154.db2.gz CJCPYLJRYPKTHY-CYBMUJFWSA-N 1 1 282.478 3.979 20 30 CHEDMO C=CCCCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000193561786 1126969156 /nfs/dbraw/zinc/96/91/56/1126969156.db2.gz CJCPYLJRYPKTHY-CYBMUJFWSA-N 1 1 282.478 3.979 20 30 CHEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908017997 1126989837 /nfs/dbraw/zinc/98/98/37/1126989837.db2.gz WFTIIVJGXICDGE-AEFFLSMTSA-N 1 1 298.430 3.761 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000266964068 1126991214 /nfs/dbraw/zinc/99/12/14/1126991214.db2.gz YRUCSPGXOSZIGG-HNNXBMFYSA-N 1 1 286.419 3.814 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccc1C#N ZINC000486659211 1126991362 /nfs/dbraw/zinc/99/13/62/1126991362.db2.gz RTSWOIWNWBWFAG-IBGZPJMESA-N 1 1 276.383 3.856 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1C#N ZINC000486659219 1126991456 /nfs/dbraw/zinc/99/14/56/1126991456.db2.gz RTSWOIWNWBWFAG-LJQANCHMSA-N 1 1 276.383 3.856 20 30 CHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000267568206 1127002028 /nfs/dbraw/zinc/00/20/28/1127002028.db2.gz COKDMZPJSRINJF-MOPGFXCFSA-N 1 1 295.430 3.775 20 30 CHEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC#N ZINC000348365787 1127018146 /nfs/dbraw/zinc/01/81/46/1127018146.db2.gz DCOLOTXIRAGNEC-FLIBITNWSA-N 1 1 268.282 3.612 20 30 CHEDMO COc1ccc(C[N@@H+](Cc2ccco2)C(C)C)cc1C#N ZINC000269700144 1127044267 /nfs/dbraw/zinc/04/42/67/1127044267.db2.gz YJJJOWKOLXIPGZ-UHFFFAOYSA-N 1 1 284.359 3.570 20 30 CHEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000487874060 1127045472 /nfs/dbraw/zinc/04/54/72/1127045472.db2.gz QGWFSTJAIVFJHH-KRWDZBQOSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000487874060 1127045476 /nfs/dbraw/zinc/04/54/76/1127045476.db2.gz QGWFSTJAIVFJHH-KRWDZBQOSA-N 1 1 277.383 3.945 20 30 CHEDMO C=CCCC[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000488038363 1127053639 /nfs/dbraw/zinc/05/36/39/1127053639.db2.gz ZUZNBTKEXYLJAN-UHFFFAOYSA-N 1 1 281.403 3.505 20 30 CHEDMO Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000488231085 1127063430 /nfs/dbraw/zinc/06/34/30/1127063430.db2.gz LWPHWENFIDHOTE-DLBZAZTESA-N 1 1 286.444 3.727 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000489482853 1127105292 /nfs/dbraw/zinc/10/52/92/1127105292.db2.gz SGMSCHPTNQZGPE-CQSZACIVSA-N 1 1 274.389 3.944 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000489482853 1127105293 /nfs/dbraw/zinc/10/52/93/1127105293.db2.gz SGMSCHPTNQZGPE-CQSZACIVSA-N 1 1 274.389 3.944 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000348901939 1127133872 /nfs/dbraw/zinc/13/38/72/1127133872.db2.gz AWLLJHMDATWTGQ-IBGZPJMESA-N 1 1 294.398 3.984 20 30 CHEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)c(Cl)c1 ZINC000078336152 1127143064 /nfs/dbraw/zinc/14/30/64/1127143064.db2.gz KPWVWMOZHMOOQT-UHFFFAOYSA-N 1 1 288.782 3.609 20 30 CHEDMO Cc1[nH+]ccn1CCCCNc1ccc(Cl)cc1C#N ZINC000078336157 1127141947 /nfs/dbraw/zinc/14/19/47/1127141947.db2.gz ZUAQYNKPUQJKEM-UHFFFAOYSA-N 1 1 288.782 3.609 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2occc2C)cc1 ZINC000350117290 1127172784 /nfs/dbraw/zinc/17/27/84/1127172784.db2.gz FAEWUMJEIXSMCD-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000351470726 1127189298 /nfs/dbraw/zinc/18/92/98/1127189298.db2.gz FMKIVZLBZIWPPW-PBHICJAKSA-N 1 1 271.408 3.582 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000351646949 1127201205 /nfs/dbraw/zinc/20/12/05/1127201205.db2.gz QLWDTMPGMMAKRX-AWEZNQCLSA-N 1 1 252.361 3.964 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977771 1127209067 /nfs/dbraw/zinc/20/90/67/1127209067.db2.gz IVPKPXQKFKKROK-CXAGYDPISA-N 1 1 254.377 3.741 20 30 CHEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(Cl)cc(C#N)c1 ZINC001237755491 1131139443 /nfs/dbraw/zinc/13/94/43/1131139443.db2.gz PSDBJBIKQDIJPP-UHFFFAOYSA-N 1 1 294.826 3.585 20 30 CHEDMO N#CC1(F)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000352485077 1127236385 /nfs/dbraw/zinc/23/63/85/1127236385.db2.gz XGYZRRQGHOEPHN-UHFFFAOYSA-N 1 1 286.272 3.533 20 30 CHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccsc1 ZINC000589994023 1127242418 /nfs/dbraw/zinc/24/24/18/1127242418.db2.gz GGCHCLKVGIJSSX-SNVBAGLBSA-N 1 1 260.337 3.610 20 30 CHEDMO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352942390 1127253017 /nfs/dbraw/zinc/25/30/17/1127253017.db2.gz NCHMUADCCDPHMS-JKSUJKDBSA-N 1 1 297.427 3.989 20 30 CHEDMO N#Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621117 1127268279 /nfs/dbraw/zinc/26/82/79/1127268279.db2.gz OSQZDRHZLQUGLK-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO N#Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621117 1127268281 /nfs/dbraw/zinc/26/82/81/1127268281.db2.gz OSQZDRHZLQUGLK-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO COc1cccc2c1C[N@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000590760132 1127270342 /nfs/dbraw/zinc/27/03/42/1127270342.db2.gz WVAZCADQCFZEFU-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO N#CC1(CC[N@H+]2CCOc3ccccc3C2)CCCCC1 ZINC000591011437 1127282372 /nfs/dbraw/zinc/28/23/72/1127282372.db2.gz SRKLHTZBXABCOR-UHFFFAOYSA-N 1 1 284.403 3.745 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000354034621 1127287777 /nfs/dbraw/zinc/28/77/77/1127287777.db2.gz SWTQTYWPFUNNQD-CYBMUJFWSA-N 1 1 284.403 3.524 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000354034621 1127287780 /nfs/dbraw/zinc/28/77/80/1127287780.db2.gz SWTQTYWPFUNNQD-CYBMUJFWSA-N 1 1 284.403 3.524 20 30 CHEDMO C#CCC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000760817801 1127294550 /nfs/dbraw/zinc/29/45/50/1127294550.db2.gz BQKCQSXWKQBGAO-UHFFFAOYSA-N 1 1 255.283 3.551 20 30 CHEDMO C#CCC[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000760818712 1127295397 /nfs/dbraw/zinc/29/53/97/1127295397.db2.gz JMMTZGIGXSAQAT-UHFFFAOYSA-N 1 1 256.176 3.839 20 30 CHEDMO C#CCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000760822373 1127297476 /nfs/dbraw/zinc/29/74/76/1127297476.db2.gz XQCVJRMGSKWPID-UHFFFAOYSA-N 1 1 267.347 3.851 20 30 CHEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)c1ccsc1 ZINC000591478062 1127305994 /nfs/dbraw/zinc/30/59/94/1127305994.db2.gz ZBESANDCDQPTIJ-CYBMUJFWSA-N 1 1 285.416 3.986 20 30 CHEDMO C#CCC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000760839824 1127309632 /nfs/dbraw/zinc/30/96/32/1127309632.db2.gz DAOIJBICJKQBOX-LJQANCHMSA-N 1 1 261.368 3.809 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000760848764 1127311088 /nfs/dbraw/zinc/31/10/88/1127311088.db2.gz ZAWXCARQUYRXLX-CQSZACIVSA-N 1 1 293.842 3.661 20 30 CHEDMO C=CCCC1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000354591717 1127311935 /nfs/dbraw/zinc/31/19/35/1127311935.db2.gz CHTLHCCJLNLICH-MRXNPFEDSA-N 1 1 292.467 3.504 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000157504108 1127320411 /nfs/dbraw/zinc/32/04/11/1127320411.db2.gz FRWVAMIRGXLPMH-UHFFFAOYSA-N 1 1 285.435 3.801 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCC1(F)F ZINC000573648569 1127323393 /nfs/dbraw/zinc/32/33/93/1127323393.db2.gz QFZQIKZNZORABF-GFCCVEGCSA-N 1 1 258.356 3.684 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(C)(C)CCC#N ZINC000355205851 1127324677 /nfs/dbraw/zinc/32/46/77/1127324677.db2.gz KNKRQHYKVWUMGF-HUUCEWRRSA-N 1 1 280.456 3.842 20 30 CHEDMO CCC1(CC)[C@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@@H]1OC ZINC000355205849 1127324975 /nfs/dbraw/zinc/32/49/75/1127324975.db2.gz KNKRQHYKVWUMGF-CABCVRRESA-N 1 1 280.456 3.842 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc(C)ccc1O ZINC000355219362 1127326399 /nfs/dbraw/zinc/32/63/99/1127326399.db2.gz MIPNWHXBAYQABD-UHFFFAOYSA-N 1 1 282.387 3.674 20 30 CHEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046054170 1127327382 /nfs/dbraw/zinc/32/73/82/1127327382.db2.gz BFSWONAKVSYZKF-CRAIPNDOSA-N 1 1 286.419 3.585 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046054168 1127327918 /nfs/dbraw/zinc/32/79/18/1127327918.db2.gz BFSWONAKVSYZKF-QAPCUYQASA-N 1 1 286.419 3.585 20 30 CHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000592061124 1127332368 /nfs/dbraw/zinc/33/23/68/1127332368.db2.gz YCZIZKDBDNFWDF-IBGZPJMESA-N 1 1 291.398 3.550 20 30 CHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCCC#N ZINC000592144032 1127337518 /nfs/dbraw/zinc/33/75/18/1127337518.db2.gz YPMPTLZSAZKBCC-INIZCTEOSA-N 1 1 260.356 3.526 20 30 CHEDMO CC(C)C[C@H]([NH2+]Cc1ccncc1C#N)c1cccs1 ZINC000592099116 1127333534 /nfs/dbraw/zinc/33/35/34/1127333534.db2.gz KGVRVWWDNJAEEQ-HNNXBMFYSA-N 1 1 285.416 3.892 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1c1ccccc1 ZINC000592072889 1127334288 /nfs/dbraw/zinc/33/42/88/1127334288.db2.gz QHHSHUSKRJAFAI-HNAYVOBHSA-N 1 1 291.398 3.579 20 30 CHEDMO CC(C)c1cccc2c1CC[N@H+](Cc1ccc(C#N)o1)C2 ZINC000355336971 1127334572 /nfs/dbraw/zinc/33/45/72/1127334572.db2.gz FIKOEOFYVAIWDA-UHFFFAOYSA-N 1 1 280.371 3.833 20 30 CHEDMO CC(C)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000355336971 1127334574 /nfs/dbraw/zinc/33/45/74/1127334574.db2.gz FIKOEOFYVAIWDA-UHFFFAOYSA-N 1 1 280.371 3.833 20 30 CHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1ccncc1C#N ZINC000592074187 1127334837 /nfs/dbraw/zinc/33/48/37/1127334837.db2.gz KFWIJYCZAOKCTE-LJQANCHMSA-N 1 1 293.414 3.796 20 30 CHEDMO CSc1ccccc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592121186 1127336143 /nfs/dbraw/zinc/33/61/43/1127336143.db2.gz NHFHKLNDCJOWNF-LBPRGKRZSA-N 1 1 283.400 3.526 20 30 CHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ccncc1C#N ZINC000592123950 1127337327 /nfs/dbraw/zinc/33/73/27/1127337327.db2.gz ZORIRKMPYXAQNY-CJNGLKHVSA-N 1 1 271.408 3.600 20 30 CHEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592153361 1127339560 /nfs/dbraw/zinc/33/95/60/1127339560.db2.gz AZTJQTDKRJSDSR-WBVHZDCISA-N 1 1 283.419 3.601 20 30 CHEDMO N#CCCC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000592517298 1127352607 /nfs/dbraw/zinc/35/26/07/1127352607.db2.gz ZNICBKMGEGEGOE-UHFFFAOYSA-N 1 1 282.309 3.620 20 30 CHEDMO N#CCC[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000058525116 1127355300 /nfs/dbraw/zinc/35/53/00/1127355300.db2.gz LTCVTCNMQOFBBO-UHFFFAOYSA-N 1 1 264.372 3.933 20 30 CHEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cncc(C#N)c2)c1 ZINC000592986449 1127366969 /nfs/dbraw/zinc/36/69/69/1127366969.db2.gz NZKIZRIYQXBKNR-AWEZNQCLSA-N 1 1 277.371 3.605 20 30 CHEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCc2ccc(Cl)cc21 ZINC000593066722 1127368052 /nfs/dbraw/zinc/36/80/52/1127368052.db2.gz PNCXYQAJTBMQEC-IOASZLSFSA-N 1 1 288.822 3.994 20 30 CHEDMO CC[N@@H+](CCc1cccc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000574154071 1127371312 /nfs/dbraw/zinc/37/13/12/1127371312.db2.gz ONTGSCQQVQSQLF-MRXNPFEDSA-N 1 1 293.414 3.887 20 30 CHEDMO N#CC1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000593113995 1127374148 /nfs/dbraw/zinc/37/41/48/1127374148.db2.gz ZJDLUXHZBJVPOZ-UHFFFAOYSA-N 1 1 280.293 3.588 20 30 CHEDMO Clc1ccccc1C#CC[N@H+](Cc1cccnc1)C1CC1 ZINC000357391658 1127389644 /nfs/dbraw/zinc/38/96/44/1127389644.db2.gz QQUBRYPPWXPJNG-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO Clc1ccccc1C#CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000357391658 1127389649 /nfs/dbraw/zinc/38/96/49/1127389649.db2.gz QQUBRYPPWXPJNG-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO N#CC1(C[NH2+]Cc2coc3ccccc23)CCCC1 ZINC000593653021 1127392840 /nfs/dbraw/zinc/39/28/40/1127392840.db2.gz WVLUCINQAFCFHW-UHFFFAOYSA-N 1 1 254.333 3.606 20 30 CHEDMO N#CC1(C[NH2+]Cc2sccc2Cl)CCCC1 ZINC000593654500 1127394287 /nfs/dbraw/zinc/39/42/87/1127394287.db2.gz DYIDDWYDFKZVEJ-UHFFFAOYSA-N 1 1 254.786 3.575 20 30 CHEDMO CCc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000058876566 1127397272 /nfs/dbraw/zinc/39/72/72/1127397272.db2.gz KNOXCMJTFGQPMV-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761048695 1127410906 /nfs/dbraw/zinc/41/09/06/1127410906.db2.gz GFXNYHNHVHEOLJ-MFKMUULPSA-N 1 1 268.282 3.503 20 30 CHEDMO CCn1ccnc1[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594516060 1127420452 /nfs/dbraw/zinc/42/04/52/1127420452.db2.gz AKYAVXOMHUKDRH-CQSZACIVSA-N 1 1 294.402 3.505 20 30 CHEDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606763 1127425430 /nfs/dbraw/zinc/42/54/30/1127425430.db2.gz MGYNYBDDIIVCED-UHFFFAOYSA-N 1 1 294.398 3.825 20 30 CHEDMO CC(C)(CCC#N)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000594968135 1127441499 /nfs/dbraw/zinc/44/14/99/1127441499.db2.gz OTTBOTKYRYPXQT-UHFFFAOYSA-N 1 1 284.325 3.837 20 30 CHEDMO N#CC1(C[NH2+]Cc2cnc(C3CC3)s2)CCCCC1 ZINC000594981271 1127443011 /nfs/dbraw/zinc/44/30/11/1127443011.db2.gz MXPRWRNUTACEBK-UHFFFAOYSA-N 1 1 275.421 3.584 20 30 CHEDMO Cc1cc(F)ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594996265 1127444498 /nfs/dbraw/zinc/44/44/98/1127444498.db2.gz XQARHSMLRBDZFM-UHFFFAOYSA-N 1 1 260.356 3.698 20 30 CHEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081948 1127453528 /nfs/dbraw/zinc/45/35/28/1127453528.db2.gz UTXRPPOIWCIJSV-QAPCUYQASA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081948 1127453531 /nfs/dbraw/zinc/45/35/31/1127453531.db2.gz UTXRPPOIWCIJSV-QAPCUYQASA-N 1 1 297.446 3.616 20 30 CHEDMO CC[C@H](CC(F)F)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000595289110 1127458063 /nfs/dbraw/zinc/45/80/63/1127458063.db2.gz OKLDNJNWIJKELL-GFCCVEGCSA-N 1 1 266.335 3.671 20 30 CHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000359311375 1127458093 /nfs/dbraw/zinc/45/80/93/1127458093.db2.gz UBFNYVSOXIEESC-RHSMWYFYSA-N 1 1 254.377 3.570 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595427199 1127462340 /nfs/dbraw/zinc/46/23/40/1127462340.db2.gz SLVJEBXNUYQCGM-AEFFLSMTSA-N 1 1 268.404 3.732 20 30 CHEDMO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619733 1127468347 /nfs/dbraw/zinc/46/83/47/1127468347.db2.gz GLXFQOOFNFLGLG-OLZOCXBDSA-N 1 1 269.348 3.514 20 30 CHEDMO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619733 1127468349 /nfs/dbraw/zinc/46/83/49/1127468349.db2.gz GLXFQOOFNFLGLG-OLZOCXBDSA-N 1 1 269.348 3.514 20 30 CHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000595478165 1127464047 /nfs/dbraw/zinc/46/40/47/1127464047.db2.gz YJGPZPZIVCDXCS-IBGZPJMESA-N 1 1 294.373 3.671 20 30 CHEDMO Cc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)co1 ZINC000595502333 1127465150 /nfs/dbraw/zinc/46/51/50/1127465150.db2.gz LGLQBQDDFRBMTB-MRXNPFEDSA-N 1 1 269.348 3.508 20 30 CHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000595618889 1127467943 /nfs/dbraw/zinc/46/79/43/1127467943.db2.gz URSQMQSFFJGUIW-UHFFFAOYSA-N 1 1 284.334 3.670 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359569429 1127468786 /nfs/dbraw/zinc/46/87/86/1127468786.db2.gz YOEZSSFUGHPGCD-KSSFIOAISA-N 1 1 284.403 3.579 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000595623614 1127468866 /nfs/dbraw/zinc/46/88/66/1127468866.db2.gz VMEDZRYGXCFWJT-GFCCVEGCSA-N 1 1 298.308 3.711 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000595609721 1127470481 /nfs/dbraw/zinc/47/04/81/1127470481.db2.gz OFJJMYLPEUZHNR-AWEZNQCLSA-N 1 1 292.810 3.735 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000595616106 1127471272 /nfs/dbraw/zinc/47/12/72/1127471272.db2.gz PNGASGMPQNBUHO-ZDUSSCGKSA-N 1 1 254.333 3.558 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595703688 1127472899 /nfs/dbraw/zinc/47/28/99/1127472899.db2.gz NJCHSZWEBWFEDI-HNNXBMFYSA-N 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291.398 3.640 20 30 CHEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCS1 ZINC000929752551 1128285054 /nfs/dbraw/zinc/28/50/54/1128285054.db2.gz BXRVNNBUBQSHBI-AWEZNQCLSA-N 1 1 266.454 3.678 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929765881 1128286711 /nfs/dbraw/zinc/28/67/11/1128286711.db2.gz GLVNWXUWWMWIRG-LEOMRAHMSA-N 1 1 285.435 3.882 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000930112355 1128301456 /nfs/dbraw/zinc/30/14/56/1128301456.db2.gz UDTAFLWZAWEEAW-UHFFFAOYSA-N 1 1 291.398 3.735 20 30 CHEDMO CCCCCCCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000915298389 1128302027 /nfs/dbraw/zinc/30/20/27/1128302027.db2.gz LYVHETLVPUKONY-CVEARBPZSA-N 1 1 282.472 3.726 20 30 CHEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cccnc2)c2ccccn21 ZINC000762605600 1128310786 /nfs/dbraw/zinc/31/07/86/1128310786.db2.gz RZTVALKNFLWPCB-CMDGGOBGSA-N 1 1 291.354 3.749 20 30 CHEDMO CCCCOC(=O)CC[C@@H](C)[N@H+](CCC#N)CCCC ZINC001257398913 1128310872 /nfs/dbraw/zinc/31/08/72/1128310872.db2.gz UAWTWLAZAKTZGO-OAHLLOKOSA-N 1 1 282.428 3.514 20 30 CHEDMO Cc1ccncc1C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930293048 1128312733 /nfs/dbraw/zinc/31/27/33/1128312733.db2.gz YKDKQRUFFBFYLB-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1ccncc1C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930293048 1128312735 /nfs/dbraw/zinc/31/27/35/1128312735.db2.gz YKDKQRUFFBFYLB-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO CC[N@@H+](CC1CCC(C#N)CC1)[C@H]1CCOC(C)(C)C1 ZINC000930511258 1128322959 /nfs/dbraw/zinc/32/29/59/1128322959.db2.gz BNSYFZXZPUIDOX-GPANFISMSA-N 1 1 278.440 3.596 20 30 CHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCC1(F)F ZINC000930512938 1128323451 /nfs/dbraw/zinc/32/34/51/1128323451.db2.gz SFBMXYMOXHOTOV-ZDUSSCGKSA-N 1 1 270.367 3.828 20 30 CHEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000930531484 1128323757 /nfs/dbraw/zinc/32/37/57/1128323757.db2.gz KOCDPYQUGSXXBZ-KGLIPLIRSA-N 1 1 297.324 3.506 20 30 CHEDMO CC[N@@H+](Cc1ccc(CO)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000272324014 1128326756 /nfs/dbraw/zinc/32/67/56/1128326756.db2.gz LCAMNXGBVYTCFF-HNNXBMFYSA-N 1 1 294.398 3.634 20 30 CHEDMO CC(C)[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)c1ccsc1 ZINC000930749987 1128333878 /nfs/dbraw/zinc/33/38/78/1128333878.db2.gz DLHZBMLKHKFNSB-ZDUSSCGKSA-N 1 1 285.416 3.986 20 30 CHEDMO Cc1cccc([C@@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000930764442 1128333991 /nfs/dbraw/zinc/33/39/91/1128333991.db2.gz MXMZAHWTFGFHEF-KXBFYZLASA-N 1 1 294.398 3.593 20 30 CHEDMO CCCCCCCCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000915627087 1128331561 /nfs/dbraw/zinc/33/15/61/1128331561.db2.gz APYFYARMLGZQKS-INIZCTEOSA-N 1 1 282.472 3.728 20 30 CHEDMO CCCCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000915633833 1128331600 /nfs/dbraw/zinc/33/16/00/1128331600.db2.gz HARDYQHQTFMPBB-IAGOWNOFSA-N 1 1 294.483 3.870 20 30 CHEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000930742577 1128332547 /nfs/dbraw/zinc/33/25/47/1128332547.db2.gz HYHBDRQQQWCCLF-HZPDHXFCSA-N 1 1 271.408 3.600 20 30 CHEDMO N#CC1(CCCC[N@H+]2CC[C@H](c3cccnc3)C2)CCC1 ZINC000930813657 1128336187 /nfs/dbraw/zinc/33/61/87/1128336187.db2.gz CBLSHYNNFHKINO-KRWDZBQOSA-N 1 1 283.419 3.735 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000930925948 1128340191 /nfs/dbraw/zinc/34/01/91/1128340191.db2.gz XLBJVJSLAVSBQR-DLBZAZTESA-N 1 1 290.451 3.884 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccsc1)Cc1cncc(C#N)c1 ZINC000930923660 1128340575 /nfs/dbraw/zinc/34/05/75/1128340575.db2.gz PYQGYHOZQFNNHW-UHFFFAOYSA-N 1 1 285.416 3.815 20 30 CHEDMO COc1ccc2c(c1)CC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000931016184 1128344409 /nfs/dbraw/zinc/34/44/09/1128344409.db2.gz PIZJOWAACKIIHJ-UHFFFAOYSA-N 1 1 298.430 3.917 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000931061909 1128345567 /nfs/dbraw/zinc/34/55/67/1128345567.db2.gz FQNKRIUZJPQWAD-RQJABVFESA-N 1 1 289.341 3.669 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371759 1128358464 /nfs/dbraw/zinc/35/84/64/1128358464.db2.gz FWCXOBDTMUEPKN-UONOGXRCSA-N 1 1 269.392 3.707 20 30 CHEDMO C[C@H]1CC(N=Nc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000763180764 1128366835 /nfs/dbraw/zinc/36/68/35/1128366835.db2.gz VFWGVLJFTMHKOS-VIFPVBQESA-N 1 1 286.206 3.875 20 30 CHEDMO N#CC1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000562384077 1128399704 /nfs/dbraw/zinc/39/97/04/1128399704.db2.gz CFJBIRKYXNOJJJ-UHFFFAOYSA-N 1 1 262.356 3.747 20 30 CHEDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000932276031 1128402974 /nfs/dbraw/zinc/40/29/74/1128402974.db2.gz RXPGFWPUNZREDY-BBRMVZONSA-N 1 1 297.427 3.783 20 30 CHEDMO Cc1ccc(C)c(N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000916346114 1128417980 /nfs/dbraw/zinc/41/79/80/1128417980.db2.gz VQRULCFKLLMMQN-UHFFFAOYSA-N 1 1 267.376 3.815 20 30 CHEDMO Cc1cc(C)cc(N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000916346708 1128417995 /nfs/dbraw/zinc/41/79/95/1128417995.db2.gz QAAIAAGECFXKIL-UHFFFAOYSA-N 1 1 267.376 3.815 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496408556 1128409785 /nfs/dbraw/zinc/40/97/85/1128409785.db2.gz ZPNGFJIXURMHLQ-AWEZNQCLSA-N 1 1 288.391 3.602 20 30 CHEDMO CC[N@@H+](CCCOc1c(C)cccc1C)C[C@H](C)C#N ZINC000496916592 1128426822 /nfs/dbraw/zinc/42/68/22/1128426822.db2.gz PBRLGFHPOYYTLO-CQSZACIVSA-N 1 1 274.408 3.554 20 30 CHEDMO CC[C@@H](CC(F)F)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771490 1128442413 /nfs/dbraw/zinc/44/24/13/1128442413.db2.gz SEEIAQSNESLEOQ-JTQLQIEISA-N 1 1 272.364 3.733 20 30 CHEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1cc(C#N)cs1 ZINC000933770498 1128442651 /nfs/dbraw/zinc/44/26/51/1128442651.db2.gz JZBVLSCKVYAMOV-SNVBAGLBSA-N 1 1 289.231 3.635 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C#N)cc1Br)C(C)C ZINC000778212847 1128449526 /nfs/dbraw/zinc/44/95/26/1128449526.db2.gz DDSAGRBYUZUOEV-UHFFFAOYSA-N 1 1 293.208 3.717 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1Br)C(C)C ZINC000778212847 1128449528 /nfs/dbraw/zinc/44/95/28/1128449528.db2.gz DDSAGRBYUZUOEV-UHFFFAOYSA-N 1 1 293.208 3.717 20 30 CHEDMO C=CCCC[N@H+](CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000934648048 1128465429 /nfs/dbraw/zinc/46/54/29/1128465429.db2.gz UWINJRGGMPSAOD-IBGZPJMESA-N 1 1 298.430 3.715 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000127389156 1128477032 /nfs/dbraw/zinc/47/70/32/1128477032.db2.gz VBWYBJGOYWLCET-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1ncc(-c2cccs2)o1 ZINC000067485497 1128484571 /nfs/dbraw/zinc/48/45/71/1128484571.db2.gz VDOGEFOEYIGNBP-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ncc(-c2cccs2)o1 ZINC000067485497 1128484574 /nfs/dbraw/zinc/48/45/74/1128484574.db2.gz VDOGEFOEYIGNBP-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)C(C)C ZINC000917166808 1128489330 /nfs/dbraw/zinc/48/93/30/1128489330.db2.gz IFEFLDYNPCARES-UHFFFAOYSA-N 1 1 274.408 3.645 20 30 CHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCCC#N ZINC000609280921 1128553431 /nfs/dbraw/zinc/55/34/31/1128553431.db2.gz WRPCHBGTDFSVHK-HNNXBMFYSA-N 1 1 258.365 3.526 20 30 CHEDMO C=C(C)CCNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567960648 1128575593 /nfs/dbraw/zinc/57/55/93/1128575593.db2.gz UKFXADFRYCWKLW-IYBDPMFKSA-N 1 1 288.435 3.674 20 30 CHEDMO CCCCCCCC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000919222895 1128595570 /nfs/dbraw/zinc/59/55/70/1128595570.db2.gz JQRPLCCZBYLBDO-OAHLLOKOSA-N 1 1 269.429 3.765 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCCCF ZINC000556498088 1128596488 /nfs/dbraw/zinc/59/64/88/1128596488.db2.gz WLWCJZODFXXLPQ-IAGOWNOFSA-N 1 1 274.383 3.898 20 30 CHEDMO C=C(Br)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000919647684 1128618813 /nfs/dbraw/zinc/61/88/13/1128618813.db2.gz CEKAEDMQPAXSHR-CQSZACIVSA-N 1 1 280.209 3.904 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000919647684 1128618814 /nfs/dbraw/zinc/61/88/14/1128618814.db2.gz CEKAEDMQPAXSHR-CQSZACIVSA-N 1 1 280.209 3.904 20 30 CHEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCCCCC1 ZINC000155923414 1128619220 /nfs/dbraw/zinc/61/92/20/1128619220.db2.gz PNTBHPGWTUHTQA-SFHVURJKSA-N 1 1 286.419 3.636 20 30 CHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(C)(C)C#N ZINC000131705944 1128634765 /nfs/dbraw/zinc/63/47/65/1128634765.db2.gz POTJSBZUHKUULJ-MRXNPFEDSA-N 1 1 258.409 3.879 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)nc1 ZINC000571738378 1128639185 /nfs/dbraw/zinc/63/91/85/1128639185.db2.gz AMQZRZMXQQVMQF-GOSISDBHSA-N 1 1 283.419 3.888 20 30 CHEDMO CC(C)[N@@H+](CCC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000572827577 1128648757 /nfs/dbraw/zinc/64/87/57/1128648757.db2.gz DDGCBVJWQRAXJP-LBPRGKRZSA-N 1 1 266.335 3.692 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C2CCCC2)c1O ZINC000919938299 1128652660 /nfs/dbraw/zinc/65/26/60/1128652660.db2.gz IPNRVOBDJUNXLH-UHFFFAOYSA-N 1 1 289.419 3.894 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000573453151 1128654165 /nfs/dbraw/zinc/65/41/65/1128654165.db2.gz PQGNFHWYZHRJPK-UHFFFAOYSA-N 1 1 283.419 3.794 20 30 CHEDMO C=CCOCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000573985242 1128660771 /nfs/dbraw/zinc/66/07/71/1128660771.db2.gz OMSFOPXDRGMWBE-NVXWUHKLSA-N 1 1 289.419 3.671 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(CF)cc1 ZINC000778996870 1128675874 /nfs/dbraw/zinc/67/58/74/1128675874.db2.gz UTYHSFHVNSBDJW-UHFFFAOYSA-N 1 1 273.351 3.980 20 30 CHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000048068975 1128679022 /nfs/dbraw/zinc/67/90/22/1128679022.db2.gz CXOQJLSSMLBFBE-NVXWUHKLSA-N 1 1 286.419 3.838 20 30 CHEDMO C#CCC[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000920417640 1128680656 /nfs/dbraw/zinc/68/06/56/1128680656.db2.gz KKNKORADDGGCBE-UHFFFAOYSA-N 1 1 285.412 3.782 20 30 CHEDMO C[C@@H](C#N)n1cc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)cn1 ZINC000600779186 1128681291 /nfs/dbraw/zinc/68/12/91/1128681291.db2.gz PABHOAOEUSTGCU-CABCVRRESA-N 1 1 294.402 3.619 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001258044358 1128686053 /nfs/dbraw/zinc/68/60/53/1128686053.db2.gz MFHURFLVIOHBEH-HOTGVXAUSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258049445 1128688776 /nfs/dbraw/zinc/68/87/76/1128688776.db2.gz HYLMCGDSZMMMQS-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258049445 1128688777 /nfs/dbraw/zinc/68/87/77/1128688777.db2.gz HYLMCGDSZMMMQS-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001258049445 1128688781 /nfs/dbraw/zinc/68/87/81/1128688781.db2.gz HYLMCGDSZMMMQS-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001258049445 1128688783 /nfs/dbraw/zinc/68/87/83/1128688783.db2.gz HYLMCGDSZMMMQS-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC001258050439 1128691891 /nfs/dbraw/zinc/69/18/91/1128691891.db2.gz VCIYCAOEVZRHRO-HZPDHXFCSA-N 1 1 282.472 3.726 20 30 CHEDMO CCCCCCCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000921028108 1128698713 /nfs/dbraw/zinc/69/87/13/1128698713.db2.gz UAYKZJGGIKXKRM-UHFFFAOYSA-N 1 1 282.472 3.728 20 30 CHEDMO CC[C@H](C)[N@@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000578522150 1128720699 /nfs/dbraw/zinc/72/06/99/1128720699.db2.gz CARLCWQQEHGWRH-NSHDSACASA-N 1 1 281.350 3.638 20 30 CHEDMO C=CCCC[N@@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000609798477 1128726040 /nfs/dbraw/zinc/72/60/40/1128726040.db2.gz HRXKKKDWAHYPBE-UHFFFAOYSA-N 1 1 260.337 3.549 20 30 CHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(Cl)ccc1C#N ZINC000609893500 1128731547 /nfs/dbraw/zinc/73/15/47/1128731547.db2.gz PLTZPHDNVBWLBL-BETUJISGSA-N 1 1 291.826 3.886 20 30 CHEDMO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nccs1 ZINC000185070787 1117759536 /nfs/dbraw/zinc/75/95/36/1117759536.db2.gz SIKOAJMUKSDPRF-CQSZACIVSA-N 1 1 290.819 3.889 20 30 CHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000610002035 1128733991 /nfs/dbraw/zinc/73/39/91/1128733991.db2.gz XKTMEUGFQOAONQ-QAPCUYQASA-N 1 1 286.419 3.838 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000610079886 1128738013 /nfs/dbraw/zinc/73/80/13/1128738013.db2.gz 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C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000472586301 1119983405 /nfs/dbraw/zinc/98/34/05/1119983405.db2.gz OKBROQRPCGJGBR-DLBZAZTESA-N 1 1 277.383 3.680 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000628404994 1120009798 /nfs/dbraw/zinc/00/97/98/1120009798.db2.gz AUQOAVBPGNZZFS-LBPRGKRZSA-N 1 1 273.405 3.536 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000628406492 1120011748 /nfs/dbraw/zinc/01/17/48/1120011748.db2.gz KVJZGIJYAXFOGO-CYBMUJFWSA-N 1 1 287.432 3.547 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000180930984 1120020161 /nfs/dbraw/zinc/02/01/61/1120020161.db2.gz GBSWICFJWUKPLF-SNVBAGLBSA-N 1 1 293.208 3.551 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000903106431 1120069790 /nfs/dbraw/zinc/06/97/90/1120069790.db2.gz QFDVQIPFQYNIHP-LBPRGKRZSA-N 1 1 281.186 3.874 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000153631370 1120114626 /nfs/dbraw/zinc/11/46/26/1120114626.db2.gz 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ZINC001180116913 1121954960 /nfs/dbraw/zinc/95/49/60/1121954960.db2.gz OPVYUMVJEXTNIP-SREVYHEPSA-N 1 1 267.416 3.970 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C2CCC2)cc1)CC1CC1 ZINC001180116228 1121955040 /nfs/dbraw/zinc/95/50/40/1121955040.db2.gz GSIMTMBLTPGOFO-UHFFFAOYSA-N 1 1 253.389 3.799 20 30 CHEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(CC3CCC3)c2)C1 ZINC001180318223 1121974076 /nfs/dbraw/zinc/97/40/76/1121974076.db2.gz ZKZCRQYLIZHXSA-LJQANCHMSA-N 1 1 285.431 3.806 20 30 CHEDMO C#CC[N@H+](CCc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001180295858 1121977211 /nfs/dbraw/zinc/97/72/11/1121977211.db2.gz BIZXTRHJFRFRTG-HXUWFJFHSA-N 1 1 293.385 3.991 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)ccc1C#N ZINC001180404700 1121982456 /nfs/dbraw/zinc/98/24/56/1121982456.db2.gz XEQKOCQIRXVIRU-SJLPKXTDSA-N 1 1 268.404 3.879 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CC1C2CC3CC(C2)CC1C3 ZINC001180402133 1121984367 /nfs/dbraw/zinc/98/43/67/1121984367.db2.gz BXAHBBRSWVFJEZ-UHFFFAOYSA-N 1 1 274.452 3.930 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC001180364318 1121985881 /nfs/dbraw/zinc/98/58/81/1121985881.db2.gz SFSSQAWQHOVERI-INIZCTEOSA-N 1 1 287.451 3.904 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC001180707224 1122009239 /nfs/dbraw/zinc/00/92/39/1122009239.db2.gz GPDWJDYYGPSNOE-UHFFFAOYSA-N 1 1 255.283 3.914 20 30 CHEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001180961674 1122024877 /nfs/dbraw/zinc/02/48/77/1122024877.db2.gz FZRXQHDGCMONNF-HNNXBMFYSA-N 1 1 268.404 3.864 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC001181196568 1122041337 /nfs/dbraw/zinc/04/13/37/1122041337.db2.gz RHPQQNPIBKDKQQ-AWEZNQCLSA-N 1 1 274.383 3.955 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420950120 1122048363 /nfs/dbraw/zinc/04/83/63/1122048363.db2.gz PONBCKPGKRHDTM-CQSZACIVSA-N 1 1 282.309 3.723 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001181316220 1122049305 /nfs/dbraw/zinc/04/93/05/1122049305.db2.gz WYLBXJJQFZNYGJ-ZPUOCTKUSA-N 1 1 270.420 3.806 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955593 1122050412 /nfs/dbraw/zinc/05/04/12/1122050412.db2.gz WPRFDRCGUASSDZ-LBPRGKRZSA-N 1 1 276.346 3.981 20 30 CHEDMO C=C(Br)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000773934917 1122066183 /nfs/dbraw/zinc/06/61/83/1122066183.db2.gz MXUGAJVLHUJIET-CYBMUJFWSA-N 1 1 282.225 3.766 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000773934917 1122066188 /nfs/dbraw/zinc/06/61/88/1122066188.db2.gz MXUGAJVLHUJIET-CYBMUJFWSA-N 1 1 282.225 3.766 20 30 CHEDMO CC(C)=CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502532479 1122099602 /nfs/dbraw/zinc/09/96/02/1122099602.db2.gz VLTCKIJKMMPBTM-UHFFFAOYSA-N 1 1 252.361 3.614 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)c(F)c2)CC12CCC2 ZINC000421357794 1122105648 /nfs/dbraw/zinc/10/56/48/1122105648.db2.gz QQQDCCDFOOVMKP-INIZCTEOSA-N 1 1 272.367 3.708 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1ccc(F)cc1 ZINC001182019690 1122106519 /nfs/dbraw/zinc/10/65/19/1122106519.db2.gz BEDSXYQPLAVFDS-KRWDZBQOSA-N 1 1 278.330 3.771 20 30 CHEDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)cc1C#N ZINC000421399678 1122112307 /nfs/dbraw/zinc/11/23/07/1122112307.db2.gz QPFOPUDISZRQSU-SFHVURJKSA-N 1 1 293.414 3.665 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc1 ZINC000779603792 1129032054 /nfs/dbraw/zinc/03/20/54/1129032054.db2.gz BQHXLFSAAUGQBP-CVEARBPZSA-N 1 1 298.430 3.990 20 30 CHEDMO C=CCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774355446 1122160589 /nfs/dbraw/zinc/16/05/89/1122160589.db2.gz SQWIUIKABRKLMF-VIFPVBQESA-N 1 1 290.190 3.552 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001182461267 1122165962 /nfs/dbraw/zinc/16/59/62/1122165962.db2.gz GHJOOENQVSQJLP-SFHVURJKSA-N 1 1 253.389 3.550 20 30 CHEDMO CC#CC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000503076886 1122166274 /nfs/dbraw/zinc/16/62/74/1122166274.db2.gz WCRHAYJMBLLPBI-UHFFFAOYSA-N 1 1 276.383 3.736 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC001182544929 1122175099 /nfs/dbraw/zinc/17/50/99/1122175099.db2.gz SVOUFKJNECOPLA-GIZXNFQBSA-N 1 1 257.352 3.574 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)cc1 ZINC001182756112 1122184862 /nfs/dbraw/zinc/18/48/62/1122184862.db2.gz WMXQHMQZZWDLAB-FQEVSTJZSA-N 1 1 293.385 3.971 20 30 CHEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001183065031 1122204306 /nfs/dbraw/zinc/20/43/06/1122204306.db2.gz DAWJOPAZOSPOLC-MSOLQXFVSA-N 1 1 278.484 3.622 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001183065031 1122204308 /nfs/dbraw/zinc/20/43/08/1122204308.db2.gz DAWJOPAZOSPOLC-MSOLQXFVSA-N 1 1 278.484 3.622 20 30 CHEDMO CCCCCCCCC[C@H](C)[NH2+]Cc1ncon1 ZINC001258229014 1129038834 /nfs/dbraw/zinc/03/88/34/1129038834.db2.gz LIPPOVSTSHKPGE-ZDUSSCGKSA-N 1 1 253.390 3.688 20 30 CHEDMO COc1cccc2c(C[N@@H+]3CCC[C@@H](C#N)C3)cccc12 ZINC001183767556 1122237387 /nfs/dbraw/zinc/23/73/87/1122237387.db2.gz DVTOBEUYCSPHAD-AWEZNQCLSA-N 1 1 280.371 3.584 20 30 CHEDMO COc1cccc2c(C[N@H+]3CCC[C@@H](C#N)C3)cccc12 ZINC001183767556 1122237392 /nfs/dbraw/zinc/23/73/92/1122237392.db2.gz DVTOBEUYCSPHAD-AWEZNQCLSA-N 1 1 280.371 3.584 20 30 CHEDMO C#CC[N@H+](Cc1ccc(OC)c(C(C)(C)C)c1)C(C)C ZINC001184115795 1122257258 /nfs/dbraw/zinc/25/72/58/1122257258.db2.gz ONKCGPXNWORRKX-UHFFFAOYSA-N 1 1 273.420 3.836 20 30 CHEDMO C=C(C)C[N@@H+](CC)CCOc1ccc(C(F)(F)F)cc1 ZINC000503973942 1122282582 /nfs/dbraw/zinc/28/25/82/1122282582.db2.gz JNMZRVMKZWUPIK-UHFFFAOYSA-N 1 1 287.325 3.982 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)onc1CC ZINC000163179347 1129047170 /nfs/dbraw/zinc/04/71/70/1129047170.db2.gz XRRQMJSOCPCXKO-UHFFFAOYSA-N 1 1 284.403 3.776 20 30 CHEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505264131 1122352804 /nfs/dbraw/zinc/35/28/04/1122352804.db2.gz ALABKICUUUHCPE-SJLPKXTDSA-N 1 1 294.373 3.933 20 30 CHEDMO C=CC[N@@H+](CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000430089722 1122399102 /nfs/dbraw/zinc/39/91/02/1122399102.db2.gz LEWFLBLCIDEPDM-QZTJIDSGSA-N 1 1 268.404 3.898 20 30 CHEDMO C=CC[N@H+](CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000430089722 1122399105 /nfs/dbraw/zinc/39/91/05/1122399105.db2.gz LEWFLBLCIDEPDM-QZTJIDSGSA-N 1 1 268.404 3.898 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430099853 1122404377 /nfs/dbraw/zinc/40/43/77/1122404377.db2.gz UVMCKYPSXWKUGR-JKSUJKDBSA-N 1 1 293.357 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1occc1C ZINC000430119264 1122405354 /nfs/dbraw/zinc/40/53/54/1122405354.db2.gz IJMZOQBWVPBRSW-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1occc1C ZINC000430119264 1122405364 /nfs/dbraw/zinc/40/53/64/1122405364.db2.gz IJMZOQBWVPBRSW-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000505613760 1122439613 /nfs/dbraw/zinc/43/96/13/1122439613.db2.gz WBGDNACHRQZOEW-UHFFFAOYSA-N 1 1 270.401 3.814 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)c1cccc(Br)c1 ZINC000775180108 1122469328 /nfs/dbraw/zinc/46/93/28/1122469328.db2.gz VFVHLQQMPKMFLR-VXGBXAGGSA-N 1 1 280.209 3.506 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000775183027 1122471556 /nfs/dbraw/zinc/47/15/56/1122471556.db2.gz GJJYVRWIQKQRPF-CYBMUJFWSA-N 1 1 255.317 3.525 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000775183027 1122471562 /nfs/dbraw/zinc/47/15/62/1122471562.db2.gz GJJYVRWIQKQRPF-CYBMUJFWSA-N 1 1 255.317 3.525 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000775185203 1122472761 /nfs/dbraw/zinc/47/27/61/1122472761.db2.gz ZAOLRDUTKGCIDZ-GFCCVEGCSA-N 1 1 289.325 3.895 20 30 CHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000435590370 1122477714 /nfs/dbraw/zinc/47/77/14/1122477714.db2.gz VTLBSYWDCAYVPY-SFHVURJKSA-N 1 1 283.419 3.767 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000435891365 1122496236 /nfs/dbraw/zinc/49/62/36/1122496236.db2.gz DLKAOGNZJUWYPW-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2cccc(F)c2C1 ZINC000435891365 1122496240 /nfs/dbraw/zinc/49/62/40/1122496240.db2.gz DLKAOGNZJUWYPW-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000505794463 1122540188 /nfs/dbraw/zinc/54/01/88/1122540188.db2.gz CHEDFRBTTQEPJL-FUHWJXTLSA-N 1 1 272.436 3.720 20 30 CHEDMO C=C(C)CN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000505794463 1122540191 /nfs/dbraw/zinc/54/01/91/1122540191.db2.gz CHEDFRBTTQEPJL-FUHWJXTLSA-N 1 1 272.436 3.720 20 30 CHEDMO C=C(C)CN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000505794463 1122540192 /nfs/dbraw/zinc/54/01/92/1122540192.db2.gz CHEDFRBTTQEPJL-FUHWJXTLSA-N 1 1 272.436 3.720 20 30 CHEDMO C#CC[N@H+](C[C@@H](COC)C(C)C)[C@H]1CCc2ccccc21 ZINC001190529562 1122541638 /nfs/dbraw/zinc/54/16/38/1122541638.db2.gz SZOSHXGZHZPOPU-HKUYNNGSSA-N 1 1 285.431 3.528 20 30 CHEDMO C#CC[N@H+](CC/C=C\CC)[C@@H]1CCc2ccccc21 ZINC001190528548 1122541856 /nfs/dbraw/zinc/54/18/56/1122541856.db2.gz MFDUHFNREHXKMG-OOFWQKGWSA-N 1 1 253.389 3.965 20 30 CHEDMO C#CC[N@H+](C[C@H](COC)C(C)C)[C@@H]1CCc2ccccc21 ZINC001190529563 1122542127 /nfs/dbraw/zinc/54/21/27/1122542127.db2.gz SZOSHXGZHZPOPU-IEBWSBKVSA-N 1 1 285.431 3.528 20 30 CHEDMO CC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425529624 1122544586 /nfs/dbraw/zinc/54/45/86/1122544586.db2.gz CFNJJLFKDGBRII-AWEZNQCLSA-N 1 1 292.382 3.954 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000775399392 1122545161 /nfs/dbraw/zinc/54/51/61/1122545161.db2.gz GHHQVZCICVCDBY-KRWDZBQOSA-N 1 1 278.330 3.552 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000425534894 1122545197 /nfs/dbraw/zinc/54/51/97/1122545197.db2.gz MMRNXNFAPVKLRF-PBHICJAKSA-N 1 1 272.392 3.510 20 30 CHEDMO C=C(C)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000505814769 1122548153 /nfs/dbraw/zinc/54/81/53/1122548153.db2.gz IAICOCLFFHKEEM-UHFFFAOYSA-N 1 1 270.351 3.972 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000775401614 1122549035 /nfs/dbraw/zinc/54/90/35/1122549035.db2.gz WNCKYKYUVXAQFV-SFHVURJKSA-N 1 1 278.330 3.552 20 30 CHEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC2(CCCCCC2)O1 ZINC001190643247 1122549844 /nfs/dbraw/zinc/54/98/44/1122549844.db2.gz KDDZTMKQTWKDQG-HZPDHXFCSA-N 1 1 278.440 3.740 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCC2(CCCCCC2)O1 ZINC001190643247 1122549848 /nfs/dbraw/zinc/54/98/48/1122549848.db2.gz KDDZTMKQTWKDQG-HZPDHXFCSA-N 1 1 278.440 3.740 20 30 CHEDMO C=CCCCC[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC001190642587 1122550733 /nfs/dbraw/zinc/55/07/33/1122550733.db2.gz DUPTURWEVSTQDX-UHFFFAOYSA-N 1 1 254.377 3.903 20 30 CHEDMO C=CCCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001190791620 1122556501 /nfs/dbraw/zinc/55/65/01/1122556501.db2.gz OAPPTDSFAQWVBL-MRXNPFEDSA-N 1 1 287.403 3.951 20 30 CHEDMO C=CC[N@H+](CCn1cc(Cl)cn1)CC1CCCCC1 ZINC001190984664 1122563197 /nfs/dbraw/zinc/56/31/97/1122563197.db2.gz KQRQAPPLCOXVMT-UHFFFAOYSA-N 1 1 281.831 3.605 20 30 CHEDMO C=CC[N@H+](Cc1ccnc(F)c1)CC1CCCCC1 ZINC001190984749 1122563313 /nfs/dbraw/zinc/56/33/13/1122563313.db2.gz LWSZIXXWQCPYBW-UHFFFAOYSA-N 1 1 262.372 3.789 20 30 CHEDMO CCCCCCCNC(=O)N[C@H]1CC[N@H+](C(CC)CC)C1 ZINC001191122879 1122575078 /nfs/dbraw/zinc/57/50/78/1122575078.db2.gz DHHBEAXDKNOUQV-HNNXBMFYSA-N 1 1 297.487 3.519 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001191086119 1122576570 /nfs/dbraw/zinc/57/65/70/1122576570.db2.gz XYYLGTQVNVIJRK-NVXWUHKLSA-N 1 1 273.807 3.956 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(C)nc2ccccc12 ZINC000505872455 1122577719 /nfs/dbraw/zinc/57/77/19/1122577719.db2.gz NMJXBPQLPDCPIC-UHFFFAOYSA-N 1 1 254.377 3.941 20 30 CHEDMO CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC001191157265 1122578001 /nfs/dbraw/zinc/57/80/01/1122578001.db2.gz VGGUEGWEHSUFJX-KSZLIROESA-N 1 1 298.430 3.573 20 30 CHEDMO CC1(C)CO[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC001191157265 1122578004 /nfs/dbraw/zinc/57/80/04/1122578004.db2.gz VGGUEGWEHSUFJX-KSZLIROESA-N 1 1 298.430 3.573 20 30 CHEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccn1 ZINC000775446618 1122584939 /nfs/dbraw/zinc/58/49/39/1122584939.db2.gz QCBRWELWTSWTGN-KRWDZBQOSA-N 1 1 283.350 3.579 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1C#N ZINC001191340725 1122591275 /nfs/dbraw/zinc/59/12/75/1122591275.db2.gz KCJPOFKKPCQCDX-INIZCTEOSA-N 1 1 256.393 3.877 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc2cc(OC)ccc2o1 ZINC000505902657 1122594387 /nfs/dbraw/zinc/59/43/87/1122594387.db2.gz ISUFVGLEKIALHF-UHFFFAOYSA-N 1 1 259.349 3.839 20 30 CHEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001191367620 1122596551 /nfs/dbraw/zinc/59/65/51/1122596551.db2.gz RLQAULONLLWFIX-KRWDZBQOSA-N 1 1 290.451 3.884 20 30 CHEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001191367620 1122596553 /nfs/dbraw/zinc/59/65/53/1122596553.db2.gz RLQAULONLLWFIX-KRWDZBQOSA-N 1 1 290.451 3.884 20 30 CHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000787997810 1122621145 /nfs/dbraw/zinc/62/11/45/1122621145.db2.gz RYCVQBWFKUHDRL-UHFFFAOYSA-N 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C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000518465899 1122758556 /nfs/dbraw/zinc/75/85/56/1122758556.db2.gz HMNYKIXXIXECGP-KXBFYZLASA-N 1 1 291.398 3.806 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC000439433060 1122778530 /nfs/dbraw/zinc/77/85/30/1122778530.db2.gz YDOYRWLBMPNYOM-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC000439433060 1122778535 /nfs/dbraw/zinc/77/85/35/1122778535.db2.gz YDOYRWLBMPNYOM-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(Cl)c1 ZINC000439436923 1122778606 /nfs/dbraw/zinc/77/86/06/1122778606.db2.gz HGWHQLZVAOAMGK-INIZCTEOSA-N 1 1 274.795 3.976 20 30 CHEDMO COc1cccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)c1 ZINC000426402595 1122784033 /nfs/dbraw/zinc/78/40/33/1122784033.db2.gz IYSBTXKADZTEJH-UHFFFAOYSA-N 1 1 299.801 3.832 20 30 CHEDMO C[N@H+](CC#Cc1ccccc1)CCCOCc1ccccc1 ZINC000439479919 1122784220 /nfs/dbraw/zinc/78/42/20/1122784220.db2.gz WIKKUVYDHJPROJ-UHFFFAOYSA-N 1 1 293.410 3.577 20 30 CHEDMO Cc1cccc(C[N@@H+](C)CCOc2ccccc2C#N)c1C ZINC001194615971 1122788414 /nfs/dbraw/zinc/78/84/14/1122788414.db2.gz MUZYMDGCWXQSME-UHFFFAOYSA-N 1 1 294.398 3.686 20 30 CHEDMO C#CCCCCCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001194771751 1122803409 /nfs/dbraw/zinc/80/34/09/1122803409.db2.gz JJDALVSGRKMNHH-IRXDYDNUSA-N 1 1 275.436 3.604 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc2cc(OC)ccc2o1 ZINC000426541417 1122816979 /nfs/dbraw/zinc/81/69/79/1122816979.db2.gz BHUNPKGUEXIWBY-AWEZNQCLSA-N 1 1 271.360 3.982 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(COCC)c1 ZINC000426560444 1122822259 /nfs/dbraw/zinc/82/22/59/1122822259.db2.gz QAWQJUXIJNHTGU-QGZVFWFLSA-N 1 1 289.419 3.772 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000426562139 1122823949 /nfs/dbraw/zinc/82/39/49/1122823949.db2.gz ZRHWURCWDVPRQM-INIZCTEOSA-N 1 1 255.361 3.503 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1C ZINC000426572229 1122825067 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CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000102675959 1122935509 /nfs/dbraw/zinc/93/55/09/1122935509.db2.gz MLRAWINEEDOGPQ-UHFFFAOYSA-N 1 1 293.414 3.646 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCCC2(CCC2)O1 ZINC001197116972 1122945180 /nfs/dbraw/zinc/94/51/80/1122945180.db2.gz WOYVFVAFOWAEFT-GOSISDBHSA-N 1 1 298.430 3.524 20 30 CHEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000729473452 1122958653 /nfs/dbraw/zinc/95/86/53/1122958653.db2.gz FBUKVWAKUKIAIW-UHFFFAOYSA-N 1 1 292.379 3.778 20 30 CHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000438348283 1122961442 /nfs/dbraw/zinc/96/14/42/1122961442.db2.gz RQYMAEPUHWXSME-AWEZNQCLSA-N 1 1 260.356 3.565 20 30 CHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000775785141 1122968638 /nfs/dbraw/zinc/96/86/38/1122968638.db2.gz KADLTXXYHXWVPJ-IUODEOHRSA-N 1 1 292.810 3.863 20 30 CHEDMO C#CC[N@H+](CCOc1ccc(F)cc1Cl)C(C)(C)C ZINC001197929622 1122973832 /nfs/dbraw/zinc/97/38/32/1122973832.db2.gz IYYGNYAIHNZMMO-UHFFFAOYSA-N 1 1 283.774 3.592 20 30 CHEDMO N#Cc1ccc(CC[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC001198063072 1122980703 /nfs/dbraw/zinc/98/07/03/1122980703.db2.gz ZPJHPRGDJCNBQN-UHFFFAOYSA-N 1 1 290.410 3.808 20 30 CHEDMO Cc1cc([C@@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)[nH]n1 ZINC001198130146 1122980802 /nfs/dbraw/zinc/98/08/02/1122980802.db2.gz DXOZQWPVIGWXQI-INIZCTEOSA-N 1 1 288.439 3.965 20 30 CHEDMO Cc1cc([C@@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)n[nH]1 ZINC001198130146 1122980805 /nfs/dbraw/zinc/98/08/05/1122980805.db2.gz DXOZQWPVIGWXQI-INIZCTEOSA-N 1 1 288.439 3.965 20 30 CHEDMO Cc1cc([C@@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)n[nH]1 ZINC001198130146 1122980808 /nfs/dbraw/zinc/98/08/08/1122980808.db2.gz DXOZQWPVIGWXQI-INIZCTEOSA-N 1 1 288.439 3.965 20 30 CHEDMO C#CC[N@H+](C[C@H](OC)C1CCC1)[C@H]1CCCc2ccccc21 ZINC001198104505 1122981441 /nfs/dbraw/zinc/98/14/41/1122981441.db2.gz OLQWLRXIEMMYIS-PMACEKPBSA-N 1 1 297.442 3.814 20 30 CHEDMO C#CC[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCc2ccccc21 ZINC001198104699 1122981829 /nfs/dbraw/zinc/98/18/29/1122981829.db2.gz QUQOXTGZZOCUSN-IHPCNDPISA-N 1 1 297.442 3.550 20 30 CHEDMO C#CC[N@@H+](CCC1CC1)[C@@H]1CCCc2ccccc21 ZINC001198103155 1122981859 /nfs/dbraw/zinc/98/18/59/1122981859.db2.gz DKMLPJBHXHOYHN-GOSISDBHSA-N 1 1 253.389 3.799 20 30 CHEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001198239494 1122984974 /nfs/dbraw/zinc/98/49/74/1122984974.db2.gz DLOHKKOUXKORRH-DLBZAZTESA-N 1 1 283.456 3.617 20 30 CHEDMO C#CCC[N@H+](C)[C@@H](CC)Cc1ccccc1Br ZINC000775836421 1122985749 /nfs/dbraw/zinc/98/57/49/1122985749.db2.gz HDZCNYIKDXUJNE-AWEZNQCLSA-N 1 1 294.236 3.725 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC001198414433 1122990431 /nfs/dbraw/zinc/99/04/31/1122990431.db2.gz RMYOPAACUDYGGQ-JKSUJKDBSA-N 1 1 285.387 3.897 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001198414447 1122990827 /nfs/dbraw/zinc/99/08/27/1122990827.db2.gz RUAWZLJQTBQEAJ-OAHLLOKOSA-N 1 1 258.340 3.628 20 30 CHEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCC)C(=O)OCC ZINC001205838677 1122991261 /nfs/dbraw/zinc/99/12/61/1122991261.db2.gz BHMBFBJNFCGULD-XHSDSOJGSA-N 1 1 281.440 3.833 20 30 CHEDMO C#C[C@H]1CCCC[N@@H+]1CCCc1ccccc1Cl ZINC001198524927 1122996031 /nfs/dbraw/zinc/99/60/31/1122996031.db2.gz HZFNEUPUMZKDRS-HNNXBMFYSA-N 1 1 261.796 3.760 20 30 CHEDMO C=CCCC(C)(C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000620857658 1129096133 /nfs/dbraw/zinc/09/61/33/1129096133.db2.gz DOQMSHVMXIRUQH-UHFFFAOYSA-N 1 1 280.456 3.502 20 30 CHEDMO C[N@@H+](Cc1ccccc1NCCC#N)C1CCCCC1 ZINC000579228713 1123072376 /nfs/dbraw/zinc/07/23/76/1123072376.db2.gz YVLMHBNNEIHIDL-UHFFFAOYSA-N 1 1 271.408 3.777 20 30 CHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)cc1 ZINC001201430066 1123099542 /nfs/dbraw/zinc/09/95/42/1123099542.db2.gz XUVKXGAWLOZNOI-MJGOQNOKSA-N 1 1 296.414 3.758 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(C#N)c1 ZINC000895018680 1123102046 /nfs/dbraw/zinc/10/20/46/1123102046.db2.gz SEIRBWHXYZYMKQ-LBPRGKRZSA-N 1 1 281.384 3.684 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000895018680 1123102047 /nfs/dbraw/zinc/10/20/47/1123102047.db2.gz SEIRBWHXYZYMKQ-LBPRGKRZSA-N 1 1 281.384 3.684 20 30 CHEDMO CCC(C)(C)CC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000441473924 1123140937 /nfs/dbraw/zinc/14/09/37/1123140937.db2.gz MSVXCCCBLGHGNF-UHFFFAOYSA-N 1 1 288.435 3.833 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001201838662 1123154231 /nfs/dbraw/zinc/15/42/31/1123154231.db2.gz BIOWISBRLRJZEB-LSDHHAIUSA-N 1 1 259.409 3.532 20 30 CHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCCCCC)C2 ZINC001201746529 1123145092 /nfs/dbraw/zinc/14/50/92/1123145092.db2.gz KRBDZPRVYGCKHN-MSOLQXFVSA-N 1 1 295.467 3.640 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001201762442 1123148529 /nfs/dbraw/zinc/14/85/29/1123148529.db2.gz LEUVMHCBSBNRAA-ROUUACIJSA-N 1 1 297.483 3.864 20 30 CHEDMO CCCCCCC[N@@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001201797671 1123150605 /nfs/dbraw/zinc/15/06/05/1123150605.db2.gz BWFPOWQWMCGZRZ-UHFFFAOYSA-N 1 1 282.472 3.680 20 30 CHEDMO CCCCCCCCN1CCC([NH+]2CCCC2)CC1 ZINC001201804598 1123151205 /nfs/dbraw/zinc/15/12/05/1123151205.db2.gz PQJKVDBGOSYQDF-UHFFFAOYSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@](F)(CO)C1 ZINC001201852723 1123152119 /nfs/dbraw/zinc/15/21/19/1123152119.db2.gz IEESMVYIHKNXOG-OAHLLOKOSA-N 1 1 259.409 3.533 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC001201852652 1123152237 /nfs/dbraw/zinc/15/22/37/1123152237.db2.gz GBFKKDJTDBCZDB-MRXNPFEDSA-N 1 1 282.472 3.728 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001201852682 1123152272 /nfs/dbraw/zinc/15/22/72/1123152272.db2.gz HCRSXJPHMVJKTQ-HOTGVXAUSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001201852618 1123152528 /nfs/dbraw/zinc/15/25/28/1123152528.db2.gz DWRKRJTXASAJOM-IAGOWNOFSA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001201825840 1123153016 /nfs/dbraw/zinc/15/30/16/1123153016.db2.gz FUYUBRBKZIFSRY-QGZVFWFLSA-N 1 1 276.424 3.895 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001201839484 1123153994 /nfs/dbraw/zinc/15/39/94/1123153994.db2.gz FMWSBVWXWVHRQP-INIZCTEOSA-N 1 1 291.439 3.599 20 30 CHEDMO CCCCCCCCC[N@H+]1CCC[C@](O)(CF)CC1 ZINC001201840154 1123154901 /nfs/dbraw/zinc/15/49/01/1123154901.db2.gz VTNHUQLKLBGJDI-MRXNPFEDSA-N 1 1 273.436 3.924 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001201840308 1123155046 /nfs/dbraw/zinc/15/50/46/1123155046.db2.gz STGGWXHKDMXOEW-OAHLLOKOSA-N 1 1 269.429 3.622 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001201839812 1123155202 /nfs/dbraw/zinc/15/52/02/1123155202.db2.gz JWHUYBAXGHNEIU-CQSZACIVSA-N 1 1 275.383 3.847 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)CCC(=O)N(C)C ZINC001201875416 1123157065 /nfs/dbraw/zinc/15/70/65/1123157065.db2.gz ZCENUKHIMOQCLH-UHFFFAOYSA-N 1 1 270.461 3.537 20 30 CHEDMO Cc1csc(C2([NH2+]Cc3ccc(C#N)cc3C)CCC2)n1 ZINC000614571568 1123158347 /nfs/dbraw/zinc/15/83/47/1123158347.db2.gz ATENFFHZSDASPO-UHFFFAOYSA-N 1 1 297.427 3.801 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2[nH]cnc2c1)C1CCCCC1 ZINC001137049101 1123220868 /nfs/dbraw/zinc/22/08/68/1123220868.db2.gz ZCSOXSSXWXTPOW-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C=CC[N@H+](Cc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC001137049101 1123220870 /nfs/dbraw/zinc/22/08/70/1123220870.db2.gz ZCSOXSSXWXTPOW-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO C=CC[N@@H+](Cc1ccc2nc[nH]c2c1)C1CCCCC1 ZINC001137049101 1123220872 /nfs/dbraw/zinc/22/08/72/1123220872.db2.gz ZCSOXSSXWXTPOW-UHFFFAOYSA-N 1 1 269.392 3.884 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001252130125 1123225599 /nfs/dbraw/zinc/22/55/99/1123225599.db2.gz LNWBGPCABUKNAF-GJZGRUSLSA-N 1 1 289.410 3.829 20 30 CHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000850511929 1123279098 /nfs/dbraw/zinc/27/90/98/1123279098.db2.gz QSPWPFUXNNSBQJ-QWHCGFSZSA-N 1 1 286.400 3.567 20 30 CHEDMO CC[C@]1(C)CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428235617 1123284668 /nfs/dbraw/zinc/28/46/68/1123284668.db2.gz HUYPOMRYXSTLIL-MRXNPFEDSA-N 1 1 260.356 3.709 20 30 CHEDMO CC[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428235617 1123284670 /nfs/dbraw/zinc/28/46/70/1123284670.db2.gz HUYPOMRYXSTLIL-MRXNPFEDSA-N 1 1 260.356 3.709 20 30 CHEDMO Cn1c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2[nH+]c1C(C)(C)C ZINC000442845627 1123341887 /nfs/dbraw/zinc/34/18/87/1123341887.db2.gz NHYCHEOJQXVCHC-QWHCGFSZSA-N 1 1 296.418 3.975 20 30 CHEDMO COc1cc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)ccc1C#N ZINC000442884344 1123347082 /nfs/dbraw/zinc/34/70/82/1123347082.db2.gz KCTLBUWSARRVDQ-KBPBESRZSA-N 1 1 272.392 3.577 20 30 CHEDMO COc1cc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000442881885 1123347264 /nfs/dbraw/zinc/34/72/64/1123347264.db2.gz BMTTXAVORNAPDQ-KMFMINBZSA-N 1 1 284.403 3.720 20 30 CHEDMO COc1cc(CNc2[nH+]cccc2C(C)C)ccc1C#N ZINC000443060143 1123352806 /nfs/dbraw/zinc/35/28/06/1123352806.db2.gz OFKFFJQVOFFDCR-UHFFFAOYSA-N 1 1 281.359 3.697 20 30 CHEDMO CCC[N@H+](CCOCCC#N)Cc1c(F)cccc1Cl ZINC000338936326 1123356647 /nfs/dbraw/zinc/35/66/47/1123356647.db2.gz ICQLIOQNRUQDAN-UHFFFAOYSA-N 1 1 298.789 3.621 20 30 CHEDMO CCC[N@@H+](CCOCCC#N)Cc1c(F)cccc1Cl ZINC000338936326 1123356648 /nfs/dbraw/zinc/35/66/48/1123356648.db2.gz ICQLIOQNRUQDAN-UHFFFAOYSA-N 1 1 298.789 3.621 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCC3CCC3)CCO2)c1 ZINC000851881900 1123385506 /nfs/dbraw/zinc/38/55/06/1123385506.db2.gz QTHMLRVFBMSWRA-SFHVURJKSA-N 1 1 284.403 3.512 20 30 CHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCC3CCC3)CCO2)c1 ZINC000851881900 1123385508 /nfs/dbraw/zinc/38/55/08/1123385508.db2.gz QTHMLRVFBMSWRA-SFHVURJKSA-N 1 1 284.403 3.512 20 30 CHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000852096888 1123396518 /nfs/dbraw/zinc/39/65/18/1123396518.db2.gz HNBFCJQLHPBJFH-QGZVFWFLSA-N 1 1 268.360 3.542 20 30 CHEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000852102455 1123396599 /nfs/dbraw/zinc/39/65/99/1123396599.db2.gz YRUCOGGZFNYGNB-INIZCTEOSA-N 1 1 290.313 3.511 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852319018 1123402259 /nfs/dbraw/zinc/40/22/59/1123402259.db2.gz FHFKHLISNCDGPN-WBMJQRKESA-N 1 1 274.795 3.953 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC2CCCC2)C1 ZINC000852329348 1123402972 /nfs/dbraw/zinc/40/29/72/1123402972.db2.gz YOPNYQFMSWMGJO-SFHVURJKSA-N 1 1 283.419 3.519 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC2CCCC2)C1 ZINC000852329348 1123402974 /nfs/dbraw/zinc/40/29/74/1123402974.db2.gz YOPNYQFMSWMGJO-SFHVURJKSA-N 1 1 283.419 3.519 20 30 CHEDMO CC(C)([NH2+]C/C(Cl)=C\Cl)c1cccc(C#N)c1 ZINC000852353639 1123403744 /nfs/dbraw/zinc/40/37/44/1123403744.db2.gz CNHZNWAMEZCJNK-KPKJPENVSA-N 1 1 269.175 3.702 20 30 CHEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1N1CCCCC1 ZINC000852684015 1123411635 /nfs/dbraw/zinc/41/16/35/1123411635.db2.gz AAKOIGBTPJRFKI-IBGZPJMESA-N 1 1 297.446 3.721 20 30 CHEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1N1CCCCC1 ZINC000852684015 1123411637 /nfs/dbraw/zinc/41/16/37/1123411637.db2.gz AAKOIGBTPJRFKI-IBGZPJMESA-N 1 1 297.446 3.721 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1Cl ZINC000852687957 1123412742 /nfs/dbraw/zinc/41/27/42/1123412742.db2.gz PLALUXIMHNJUEP-ZENOOKHLSA-N 1 1 277.795 3.556 20 30 CHEDMO C=C(C)CC[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000509620188 1123439071 /nfs/dbraw/zinc/43/90/71/1123439071.db2.gz SNSRMLYRXRZLSO-SFHVURJKSA-N 1 1 272.436 3.549 20 30 CHEDMO C[C@H](C#N)[N@@H+](Cn1ccc(=S)c2ccccc21)C1CC1 ZINC000853547706 1123442532 /nfs/dbraw/zinc/44/25/32/1123442532.db2.gz YFQJCWUYBXUGRI-GFCCVEGCSA-N 1 1 283.400 3.705 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(-c2ccccc2)n1 ZINC000853598728 1123444031 /nfs/dbraw/zinc/44/40/31/1123444031.db2.gz VHPBHVHRZQYFSI-CALCHBBNSA-N 1 1 279.387 3.691 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025359491 1123503333 /nfs/dbraw/zinc/50/33/33/1123503333.db2.gz MXALUANWWYWQEN-LJQANCHMSA-N 1 1 276.383 3.765 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000428294435 1123510045 /nfs/dbraw/zinc/51/00/45/1123510045.db2.gz GHOUICGSUXVPPA-OLZOCXBDSA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788181 1123514290 /nfs/dbraw/zinc/51/42/90/1123514290.db2.gz KBAJOVJASARDRY-AGIUHOORSA-N 1 1 274.330 3.591 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(Cl)c1 ZINC000157647827 1129131300 /nfs/dbraw/zinc/13/13/00/1129131300.db2.gz LMRRTLXEKXYFLW-RYUDHWBXSA-N 1 1 250.773 3.883 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc(Cl)c1 ZINC000157647827 1129131302 /nfs/dbraw/zinc/13/13/02/1129131302.db2.gz LMRRTLXEKXYFLW-RYUDHWBXSA-N 1 1 250.773 3.883 20 30 CHEDMO CC(C)(C)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000609578038 1123608817 /nfs/dbraw/zinc/60/88/17/1123608817.db2.gz UBRLRZKNZSYTAX-UHFFFAOYSA-N 1 1 299.462 3.502 20 30 CHEDMO Cc1ccccc1C1CC([N@@H+](CCOCCC#N)C2CC2)C1 ZINC000339005447 1123609248 /nfs/dbraw/zinc/60/92/48/1123609248.db2.gz REKHUXJCLFGRAF-UHFFFAOYSA-N 1 1 298.430 3.636 20 30 CHEDMO CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141907642 1123614230 /nfs/dbraw/zinc/61/42/30/1123614230.db2.gz IFAWQPUKEWBERY-LLVKDONJSA-N 1 1 293.208 3.553 20 30 CHEDMO CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141907642 1123614234 /nfs/dbraw/zinc/61/42/34/1123614234.db2.gz IFAWQPUKEWBERY-LLVKDONJSA-N 1 1 293.208 3.553 20 30 CHEDMO CSc1nc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)ccc1C#N ZINC001141932062 1123644855 /nfs/dbraw/zinc/64/48/55/1123644855.db2.gz RVTDQKKAQYNFIB-QWHCGFSZSA-N 1 1 289.448 3.543 20 30 CHEDMO CSc1nc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)ccc1C#N ZINC001141932063 1123645340 /nfs/dbraw/zinc/64/53/40/1123645340.db2.gz RVTDQKKAQYNFIB-STQMWFEESA-N 1 1 289.448 3.543 20 30 CHEDMO C=CC[C@@H]([NH2+][C@@H]1CCCc2scnc21)c1ccncc1 ZINC000858365665 1123648746 /nfs/dbraw/zinc/64/87/46/1123648746.db2.gz QAVUQPLUWYWVLZ-ZIAGYGMSSA-N 1 1 285.416 3.823 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)C1CCCCC1 ZINC000475039623 1123654387 /nfs/dbraw/zinc/65/43/87/1123654387.db2.gz RDLBDLVKWUYHCA-KRWDZBQOSA-N 1 1 280.456 3.579 20 30 CHEDMO Cc1cc[nH+]c(N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000346247642 1123675159 /nfs/dbraw/zinc/67/51/59/1123675159.db2.gz WBAUHAYEAWLOHN-INIZCTEOSA-N 1 1 263.344 3.751 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000859446128 1123698127 /nfs/dbraw/zinc/69/81/27/1123698127.db2.gz VAKOMMICIMDMQM-GFCCVEGCSA-N 1 1 297.320 3.830 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000859445697 1123698575 /nfs/dbraw/zinc/69/85/75/1123698575.db2.gz NORXKYZPBJSZHF-JTQLQIEISA-N 1 1 271.191 3.786 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000859445697 1123698577 /nfs/dbraw/zinc/69/85/77/1123698577.db2.gz NORXKYZPBJSZHF-JTQLQIEISA-N 1 1 271.191 3.786 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000859445698 1123698666 /nfs/dbraw/zinc/69/86/66/1123698666.db2.gz NORXKYZPBJSZHF-SNVBAGLBSA-N 1 1 271.191 3.786 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000859445698 1123698668 /nfs/dbraw/zinc/69/86/68/1123698668.db2.gz NORXKYZPBJSZHF-SNVBAGLBSA-N 1 1 271.191 3.786 20 30 CHEDMO CC#CCCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281486544 1123710221 /nfs/dbraw/zinc/71/02/21/1123710221.db2.gz HBMMJLFILPOJLH-UHFFFAOYSA-N 1 1 292.810 3.534 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000194958527 1129140323 /nfs/dbraw/zinc/14/03/23/1129140323.db2.gz IPOZKGLUPDWPIE-UHFFFAOYSA-N 1 1 265.784 3.627 20 30 CHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000346778023 1123713733 /nfs/dbraw/zinc/71/37/33/1123713733.db2.gz LFHISRPRBQPLOO-GOSISDBHSA-N 1 1 286.419 3.585 20 30 CHEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859926927 1123716225 /nfs/dbraw/zinc/71/62/25/1123716225.db2.gz QAJJWRQHWKREJV-SLFFLAALSA-N 1 1 288.394 3.794 20 30 CHEDMO N#Cc1ccccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000346967472 1123737943 /nfs/dbraw/zinc/73/79/43/1123737943.db2.gz DWZHIOGUCXVNTL-UHFFFAOYSA-N 1 1 254.377 3.714 20 30 CHEDMO CC[N@H+](Cc1cccc2ccccc21)C[C@H](C)C#N ZINC000042287645 1123783468 /nfs/dbraw/zinc/78/34/68/1123783468.db2.gz CUIMWGYDXDOPPQ-CQSZACIVSA-N 1 1 252.361 3.821 20 30 CHEDMO C#CC1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000862399758 1123806773 /nfs/dbraw/zinc/80/67/73/1123806773.db2.gz BLVUQEUKRCXEAV-UHFFFAOYSA-N 1 1 273.323 3.612 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862441362 1123809813 /nfs/dbraw/zinc/80/98/13/1123809813.db2.gz QRTGYMXEQGUKGX-SNVBAGLBSA-N 1 1 271.191 3.786 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862441362 1123809817 /nfs/dbraw/zinc/80/98/17/1123809817.db2.gz QRTGYMXEQGUKGX-SNVBAGLBSA-N 1 1 271.191 3.786 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000862442114 1123810106 /nfs/dbraw/zinc/81/01/06/1123810106.db2.gz AQAFOEUNICKYBJ-KRWDZBQOSA-N 1 1 282.431 3.522 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862441351 1123810148 /nfs/dbraw/zinc/81/01/48/1123810148.db2.gz QRTGYMXEQGUKGX-JTQLQIEISA-N 1 1 271.191 3.786 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862441351 1123810158 /nfs/dbraw/zinc/81/01/58/1123810158.db2.gz QRTGYMXEQGUKGX-JTQLQIEISA-N 1 1 271.191 3.786 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000862444654 1123811931 /nfs/dbraw/zinc/81/19/31/1123811931.db2.gz FCKXPMYAPRBRTK-AWEZNQCLSA-N 1 1 298.411 3.671 20 30 CHEDMO N#CCC[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000777262349 1123815849 /nfs/dbraw/zinc/81/58/49/1123815849.db2.gz WQWIBDLGLCAEHO-UHFFFAOYSA-N 1 1 250.301 3.589 20 30 CHEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)o1 ZINC000862542291 1123817639 /nfs/dbraw/zinc/81/76/39/1123817639.db2.gz KWIOVADSPOMDSF-UHFFFAOYSA-N 1 1 280.371 3.521 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000475287397 1123835047 /nfs/dbraw/zinc/83/50/47/1123835047.db2.gz OBPMUWFGABTBNY-UHFFFAOYSA-N 1 1 266.344 3.730 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000475287397 1123835052 /nfs/dbraw/zinc/83/50/52/1123835052.db2.gz OBPMUWFGABTBNY-UHFFFAOYSA-N 1 1 266.344 3.730 20 30 CHEDMO Clc1cccc([C@@H]2CCC(=[NH+]n3cccn3)C2)c1 ZINC000863163620 1123848537 /nfs/dbraw/zinc/84/85/37/1123848537.db2.gz KTBIGCWLLDDQCX-GFCCVEGCSA-N 1 1 259.740 3.708 20 30 CHEDMO C=C(C)C[NH+]1CCC(N[C@@H](CCC)c2ccccn2)CC1 ZINC000159041634 1129157993 /nfs/dbraw/zinc/15/79/93/1129157993.db2.gz VYZVWFMYQRVMLW-SFHVURJKSA-N 1 1 287.451 3.553 20 30 CHEDMO C=CCOc1ccccc1CNc1nc(C)[nH+]c(C)c1C ZINC000301700975 1123925052 /nfs/dbraw/zinc/92/50/52/1123925052.db2.gz SOXXSRRIQONMBL-UHFFFAOYSA-N 1 1 283.375 3.579 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cn1cc(C)cnc1=S ZINC000794650020 1123925101 /nfs/dbraw/zinc/92/51/01/1123925101.db2.gz GAZNAIGTHKNRFB-UHFFFAOYSA-N 1 1 299.443 3.957 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cn1cc(C)cnc1=S ZINC000794650020 1123925104 /nfs/dbraw/zinc/92/51/04/1123925104.db2.gz GAZNAIGTHKNRFB-UHFFFAOYSA-N 1 1 299.443 3.957 20 30 CHEDMO C=CCCOCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301801911 1123934032 /nfs/dbraw/zinc/93/40/32/1123934032.db2.gz 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Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001237738426 1129166775 /nfs/dbraw/zinc/16/67/75/1129166775.db2.gz PONVXVCBCBEVQU-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000446712371 1124118696 /nfs/dbraw/zinc/11/86/96/1124118696.db2.gz QWBGABXGSLHCLQ-LJQANCHMSA-N 1 1 294.373 3.861 20 30 CHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000428452766 1124119672 /nfs/dbraw/zinc/11/96/72/1124119672.db2.gz NAIUWPXWVDINCC-WMZOPIPTSA-N 1 1 284.403 3.744 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2cn(C(C)(C)C)nn2)CCCC1(C)C ZINC000446855243 1124126534 /nfs/dbraw/zinc/12/65/34/1124126534.db2.gz HSESHDKVTZHSGN-OAHLLOKOSA-N 1 1 290.455 3.600 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1C#N ZINC001238774945 1131244960 /nfs/dbraw/zinc/24/49/60/1131244960.db2.gz NUPLZGXLWLIULU-ZIAGYGMSSA-N 1 1 256.393 3.741 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001119295365 1131250186 /nfs/dbraw/zinc/25/01/86/1131250186.db2.gz BTZRFKDUIPBOTQ-GFCCVEGCSA-N 1 1 262.784 3.638 20 30 CHEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170936281 1131261392 /nfs/dbraw/zinc/26/13/92/1131261392.db2.gz ZSNVXLUIWBFLNU-DZGCQCFKSA-N 1 1 288.822 3.823 20 30 CHEDMO CC[C@H](NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447537522 1124484860 /nfs/dbraw/zinc/48/48/60/1124484860.db2.gz WMMDTJLGIFQLLF-BXWFABGCSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447537522 1124484864 /nfs/dbraw/zinc/48/48/64/1124484864.db2.gz WMMDTJLGIFQLLF-BXWFABGCSA-N 1 1 299.462 3.719 20 30 CHEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC001119800473 1131263721 /nfs/dbraw/zinc/26/37/21/1131263721.db2.gz IGYFARGYDRLFCX-QWUACUGRSA-N 1 1 289.382 3.631 20 30 CHEDMO C[C@H]1CCSCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001119764618 1131263871 /nfs/dbraw/zinc/26/38/71/1131263871.db2.gz AWTBLYWPIYKFSF-AWEZNQCLSA-N 1 1 266.454 3.678 20 30 CHEDMO Fc1c(Cl)cccc1C[NH2+]CC#Cc1ccccc1 ZINC001119929370 1131265840 /nfs/dbraw/zinc/26/58/40/1131265840.db2.gz NESSKJXFXRJQSO-UHFFFAOYSA-N 1 1 273.738 3.620 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000448447282 1124581746 /nfs/dbraw/zinc/58/17/46/1124581746.db2.gz NMFISSUBBXXRFH-HNNXBMFYSA-N 1 1 267.347 3.870 20 30 CHEDMO COc1ccc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)cc1 ZINC000448525418 1124584204 /nfs/dbraw/zinc/58/42/04/1124584204.db2.gz QOOYQXMYAARAHU-UHFFFAOYSA-N 1 1 299.801 3.832 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449038713 1124637733 /nfs/dbraw/zinc/63/77/33/1124637733.db2.gz WUYCYJRXZZVQOO-NWDGAFQWSA-N 1 1 278.346 3.692 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449038713 1124637736 /nfs/dbraw/zinc/63/77/36/1124637736.db2.gz WUYCYJRXZZVQOO-NWDGAFQWSA-N 1 1 278.346 3.692 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449244407 1124678648 /nfs/dbraw/zinc/67/86/48/1124678648.db2.gz SGHYJVYLGXQMFO-OAHLLOKOSA-N 1 1 268.360 3.630 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528597367 1124700570 /nfs/dbraw/zinc/70/05/70/1124700570.db2.gz MHEPMCWDZWRGRE-CQSZACIVSA-N 1 1 287.451 3.877 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278169 1124701923 /nfs/dbraw/zinc/70/19/23/1124701923.db2.gz IIIQUTFTVWOROB-INIZCTEOSA-N 1 1 278.440 3.740 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2c1cccc2F)Cc1cccc(C#N)c1 ZINC001137059187 1124711318 /nfs/dbraw/zinc/71/13/18/1124711318.db2.gz PZHHZWOSFVSSAG-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO CCCCCCC=[NH+]n1c(SC)nnc1SC ZINC000872418026 1124713585 /nfs/dbraw/zinc/71/35/85/1124713585.db2.gz XURHHRXEEBUSSL-UHFFFAOYSA-N 1 1 272.443 3.526 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1nc(C#N)cs1 ZINC000449384308 1124718636 /nfs/dbraw/zinc/71/86/36/1124718636.db2.gz AVYCNSQXYBHUHE-DVOMOZLQSA-N 1 1 297.427 3.781 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000528722481 1124772857 /nfs/dbraw/zinc/77/28/57/1124772857.db2.gz ZLCMNVPCWVCKCU-AAEUAGOBSA-N 1 1 294.320 3.756 20 30 CHEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000528722481 1124772861 /nfs/dbraw/zinc/77/28/61/1124772861.db2.gz ZLCMNVPCWVCKCU-AAEUAGOBSA-N 1 1 294.320 3.756 20 30 CHEDMO CC(C)c1cnc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000449737308 1124856070 /nfs/dbraw/zinc/85/60/70/1124856070.db2.gz RLBUQFQIWFECJT-UHFFFAOYSA-N 1 1 289.379 3.567 20 30 CHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876579530 1124960839 /nfs/dbraw/zinc/96/08/39/1124960839.db2.gz HOJXCIFRWIGUHI-AWEZNQCLSA-N 1 1 277.799 3.617 20 30 CHEDMO CC[N@@H+](Cc1cc2nc(Cl)ccc2s1)C[C@H](C)C#N ZINC000876616834 1124966243 /nfs/dbraw/zinc/96/62/43/1124966243.db2.gz BFVJLTIUQIEHJF-SNVBAGLBSA-N 1 1 293.823 3.931 20 30 CHEDMO CC[N@H+](Cc1cc2nc(Cl)ccc2s1)C[C@H](C)C#N ZINC000876616834 1124966252 /nfs/dbraw/zinc/96/62/52/1124966252.db2.gz BFVJLTIUQIEHJF-SNVBAGLBSA-N 1 1 293.823 3.931 20 30 CHEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC000450298840 1124971306 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C=CCOc1ccccc1C[NH2+]Cc1nc(C)c(C)s1 ZINC000719595834 1129345997 /nfs/dbraw/zinc/34/59/97/1129345997.db2.gz PZWGOHXJSHTADX-UHFFFAOYSA-N 1 1 288.416 3.615 20 30 CHEDMO C=CCCC[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735491977 1129348660 /nfs/dbraw/zinc/34/86/60/1129348660.db2.gz MNXRWRQWNOZYNL-HNNXBMFYSA-N 1 1 296.455 3.674 20 30 CHEDMO CCCCCCCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000247064719 1129353835 /nfs/dbraw/zinc/35/38/35/1129353835.db2.gz VOXSRLCRPYFJSA-YESZJQIVSA-N 1 1 283.456 3.615 20 30 CHEDMO Cc1cccc2c1CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000735670401 1129356493 /nfs/dbraw/zinc/35/64/93/1129356493.db2.gz DNVIGECFPRDORC-HNNXBMFYSA-N 1 1 276.383 3.986 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795575549 1129373166 /nfs/dbraw/zinc/37/31/66/1129373166.db2.gz WMUOVIIMEVUBJH-OAHLLOKOSA-N 1 1 279.836 3.920 20 30 CHEDMO Cc1ccc(OCCC[N@@H+](CCC#N)CC(C)C)cc1C ZINC000739913184 1129408865 /nfs/dbraw/zinc/40/88/65/1129408865.db2.gz ALRPDKLSOVESSY-UHFFFAOYSA-N 1 1 288.435 3.944 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000739932017 1129410056 /nfs/dbraw/zinc/41/00/56/1129410056.db2.gz VVHHJXLBXKMJJN-KRWDZBQOSA-N 1 1 261.409 3.572 20 30 CHEDMO CCCCCCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000740874718 1129421965 /nfs/dbraw/zinc/42/19/65/1129421965.db2.gz DJQDAWOVIYLXFR-UHFFFAOYSA-N 1 1 282.472 3.680 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000740861065 1129422481 /nfs/dbraw/zinc/42/24/81/1129422481.db2.gz UJKNUFABAVTXAE-UONOGXRCSA-N 1 1 289.419 3.750 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)cc1 ZINC000093509183 1129425471 /nfs/dbraw/zinc/42/54/71/1129425471.db2.gz CINWYWKFXCOTLP-OAGGEKHMSA-N 1 1 286.419 3.988 20 30 CHEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)C(C)C ZINC000065299375 1129432925 /nfs/dbraw/zinc/43/29/25/1129432925.db2.gz XIUUBDQLVBLDGK-CQSZACIVSA-N 1 1 269.392 3.677 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CC[C@@H](O)c1ccccc1 ZINC000795876765 1129453558 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C=C(Cl)C[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000743863685 1129543337 /nfs/dbraw/zinc/54/33/37/1129543337.db2.gz VGQBMDSNAFSINS-KRWDZBQOSA-N 1 1 293.838 3.771 20 30 CHEDMO C=C(Cl)C[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000743863685 1129543339 /nfs/dbraw/zinc/54/33/39/1129543339.db2.gz VGQBMDSNAFSINS-KRWDZBQOSA-N 1 1 293.838 3.771 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000304522862 1129598510 /nfs/dbraw/zinc/59/85/10/1129598510.db2.gz KPUVLIQXNIEJEG-QGZVFWFLSA-N 1 1 288.435 3.680 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2cc(C#N)ccc2O)cc1 ZINC001212970068 1129642476 /nfs/dbraw/zinc/64/24/76/1129642476.db2.gz UBUNLZVJALNFPD-UHFFFAOYSA-N 1 1 281.359 3.854 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000828536828 1131389523 /nfs/dbraw/zinc/38/95/23/1131389523.db2.gz MYEPUYANMPWVJS-RDTXWAMCSA-N 1 1 277.371 3.536 20 30 CHEDMO C[C@H](C#N)C[N@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CC1 ZINC001168839595 1129675887 /nfs/dbraw/zinc/67/58/87/1129675887.db2.gz VLONESZNZSWOMM-KCXAZCMYSA-N 1 1 290.357 3.659 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CC1 ZINC001168839595 1129675889 /nfs/dbraw/zinc/67/58/89/1129675889.db2.gz VLONESZNZSWOMM-KCXAZCMYSA-N 1 1 290.357 3.659 20 30 CHEDMO C=CC[N@H+]([C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001168879468 1129681445 /nfs/dbraw/zinc/68/14/45/1129681445.db2.gz GLLCOZYBUGEURB-KBPBESRZSA-N 1 1 296.455 3.671 20 30 CHEDMO CC1(C)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001169301534 1129717698 /nfs/dbraw/zinc/71/76/98/1129717698.db2.gz VRFDQWRHCKGROO-UHFFFAOYSA-N 1 1 261.796 3.814 20 30 CHEDMO CC1(C)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001169301534 1129717700 /nfs/dbraw/zinc/71/77/00/1129717700.db2.gz VRFDQWRHCKGROO-UHFFFAOYSA-N 1 1 261.796 3.814 20 30 CHEDMO C#C[C@](C)(CC)Nc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001169698014 1129747709 /nfs/dbraw/zinc/74/77/09/1129747709.db2.gz QHSXUEIUNSTRLG-QGZVFWFLSA-N 1 1 267.376 3.656 20 30 CHEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000651815819 1129749807 /nfs/dbraw/zinc/74/98/07/1129749807.db2.gz NZPULHNMFBPEIS-MNOVXSKESA-N 1 1 297.349 3.721 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000766789840 1129750264 /nfs/dbraw/zinc/75/02/64/1129750264.db2.gz WFFPWSVKHBNHJJ-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C=CCCC[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000766789840 1129750267 /nfs/dbraw/zinc/75/02/67/1129750267.db2.gz WFFPWSVKHBNHJJ-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO CC#CC[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC001169933840 1129766192 /nfs/dbraw/zinc/76/61/92/1129766192.db2.gz SULXOJAFNALEEM-UHFFFAOYSA-N 1 1 268.187 3.986 20 30 CHEDMO C#CCCC[N@H+](C)CCc1cccc2ccccc21 ZINC000766895541 1129768609 /nfs/dbraw/zinc/76/86/09/1129768609.db2.gz LDYVBNSUJMTPOE-UHFFFAOYSA-N 1 1 251.373 3.728 20 30 CHEDMO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)nn1 ZINC000653504498 1129781727 /nfs/dbraw/zinc/78/17/27/1129781727.db2.gz XPMVDDOJNDHHKW-MRXNPFEDSA-N 1 1 298.434 3.664 20 30 CHEDMO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccc(C)cc2C)nn1 ZINC000653504498 1129781730 /nfs/dbraw/zinc/78/17/30/1129781730.db2.gz XPMVDDOJNDHHKW-MRXNPFEDSA-N 1 1 298.434 3.664 20 30 CHEDMO C=CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC000767293747 1129784580 /nfs/dbraw/zinc/78/45/80/1129784580.db2.gz KDRYEUGGPVZMLN-UHFFFAOYSA-N 1 1 289.810 3.922 20 30 CHEDMO C=CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC000767293747 1129784583 /nfs/dbraw/zinc/78/45/83/1129784583.db2.gz KDRYEUGGPVZMLN-UHFFFAOYSA-N 1 1 289.810 3.922 20 30 CHEDMO CCCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000767405010 1129790535 /nfs/dbraw/zinc/79/05/35/1129790535.db2.gz LHYZGUSGSKQYDY-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO CCCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000767405010 1129790539 /nfs/dbraw/zinc/79/05/39/1129790539.db2.gz LHYZGUSGSKQYDY-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO C=CCCn1cc(C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)nn1 ZINC000653693712 1129792590 /nfs/dbraw/zinc/79/25/90/1129792590.db2.gz MEPSUCHGVHFBKW-INIZCTEOSA-N 1 1 298.434 3.826 20 30 CHEDMO C=CCCn1cc(C[N@H+](C(C)C)[C@@H](C)c2ccccc2)nn1 ZINC000653693712 1129792594 /nfs/dbraw/zinc/79/25/94/1129792594.db2.gz MEPSUCHGVHFBKW-INIZCTEOSA-N 1 1 298.434 3.826 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000767898586 1129820002 /nfs/dbraw/zinc/82/00/02/1129820002.db2.gz IIIGVZLINPQUOC-UHFFFAOYSA-N 1 1 283.419 3.859 20 30 CHEDMO C=CCOc1ccccc1C[N@H+](CCC)C1CCOCC1 ZINC001139030867 1129855991 /nfs/dbraw/zinc/85/59/91/1129855991.db2.gz VVRXBRWDIIEIPX-UHFFFAOYSA-N 1 1 289.419 3.642 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(C)cc1O ZINC000768441406 1129856431 /nfs/dbraw/zinc/85/64/31/1129856431.db2.gz LFUJFAQPSKIXJS-UHFFFAOYSA-N 1 1 297.398 3.897 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000900004946 1129856638 /nfs/dbraw/zinc/85/66/38/1129856638.db2.gz UINOGLKTCGHWIM-ZDUSSCGKSA-N 1 1 263.385 3.864 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000768431179 1129856891 /nfs/dbraw/zinc/85/68/91/1129856891.db2.gz WZLFVXKDNZPCHA-SFHVURJKSA-N 1 1 298.386 3.885 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000768431179 1129856893 /nfs/dbraw/zinc/85/68/93/1129856893.db2.gz WZLFVXKDNZPCHA-SFHVURJKSA-N 1 1 298.386 3.885 20 30 CHEDMO C[C@@H]([N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)C(C)(C)C ZINC000768542038 1129862536 /nfs/dbraw/zinc/86/25/36/1129862536.db2.gz DIDAGGZZTCFBGQ-UONOGXRCSA-N 1 1 274.408 3.844 20 30 CHEDMO C=CC[N@H+](Cc1cccc(Br)c1O)C(C)C ZINC000768547468 1129864799 /nfs/dbraw/zinc/86/47/99/1129864799.db2.gz NRRDIEGNWCKIBY-UHFFFAOYSA-N 1 1 284.197 3.551 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(Br)c1O)C(C)C ZINC000768547468 1129864804 /nfs/dbraw/zinc/86/48/04/1129864804.db2.gz NRRDIEGNWCKIBY-UHFFFAOYSA-N 1 1 284.197 3.551 20 30 CHEDMO COc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c(C#N)c1 ZINC001137698071 1131403349 /nfs/dbraw/zinc/40/33/49/1131403349.db2.gz IMIOCUDZQKXSRC-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)c(C#N)c1 ZINC001137698071 1131403354 /nfs/dbraw/zinc/40/33/54/1131403354.db2.gz IMIOCUDZQKXSRC-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)C[C@H](C)CC)cc1 ZINC000768766918 1129871031 /nfs/dbraw/zinc/87/10/31/1129871031.db2.gz LAZRYACNGTYSLF-OAHLLOKOSA-N 1 1 259.393 3.567 20 30 CHEDMO CCC[N@@H+](Cc1ccc(OC)cc1C#N)[C@@H](C)CC ZINC001137698454 1131404064 /nfs/dbraw/zinc/40/40/64/1131404064.db2.gz YCGXEPOKKWTWLC-ZDUSSCGKSA-N 1 1 260.381 3.577 20 30 CHEDMO CC[C@@]1(C)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000743860776 1129878068 /nfs/dbraw/zinc/87/80/68/1129878068.db2.gz UJGJRSDMKXRQAD-SFHVURJKSA-N 1 1 286.419 3.839 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1ccnn1C ZINC000768989811 1129884682 /nfs/dbraw/zinc/88/46/82/1129884682.db2.gz BRETYVWEKVWKPU-UHFFFAOYSA-N 1 1 251.418 3.603 20 30 CHEDMO N#CC1CC[NH+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137708345 1131405125 /nfs/dbraw/zinc/40/51/25/1131405125.db2.gz QJFGICUMWUSWJH-UHFFFAOYSA-N 1 1 273.767 3.557 20 30 CHEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000769388173 1129905679 /nfs/dbraw/zinc/90/56/79/1129905679.db2.gz CYNSXNCGEBGWID-KRWDZBQOSA-N 1 1 295.382 3.671 20 30 CHEDMO C#CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000769529973 1129915600 /nfs/dbraw/zinc/91/56/00/1129915600.db2.gz JFSKBPTZZLKPPS-WMZOPIPTSA-N 1 1 253.389 3.668 20 30 CHEDMO CO[C@H](C[N@H+](CCC#N)CC(C)C)c1ccc(Cl)cc1 ZINC000801517492 1129923839 /nfs/dbraw/zinc/92/38/39/1129923839.db2.gz HNLFWXLFHPWTSC-MRXNPFEDSA-N 1 1 294.826 3.899 20 30 CHEDMO CO[C@H](C[N@@H+](CCC#N)CC(C)C)c1ccc(Cl)cc1 ZINC000801517492 1129923842 /nfs/dbraw/zinc/92/38/42/1129923842.db2.gz HNLFWXLFHPWTSC-MRXNPFEDSA-N 1 1 294.826 3.899 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769896260 1129928622 /nfs/dbraw/zinc/92/86/22/1129928622.db2.gz GMSQGTINMKAVDU-OLZOCXBDSA-N 1 1 281.362 3.592 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2ncc(Cl)n2C)CCCC1(C)C ZINC000769953383 1129931628 /nfs/dbraw/zinc/93/16/28/1129931628.db2.gz JYEWSJITASIKJC-LBPRGKRZSA-N 1 1 281.831 3.640 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ncc(Cl)n2C)CCCC1(C)C ZINC000769953383 1129931630 /nfs/dbraw/zinc/93/16/30/1129931630.db2.gz JYEWSJITASIKJC-LBPRGKRZSA-N 1 1 281.831 3.640 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000769962094 1129931711 /nfs/dbraw/zinc/93/17/11/1129931711.db2.gz BFQWJKCAALIYMC-ZDUSSCGKSA-N 1 1 299.336 3.818 20 30 CHEDMO C[N@H+]1CCc2cc(-c3cc(Cl)cc(C#N)c3)ccc2C1 ZINC001242570162 1129939041 /nfs/dbraw/zinc/93/90/41/1129939041.db2.gz FXFYOLHZLHPRFP-UHFFFAOYSA-N 1 1 282.774 3.867 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000801915718 1129958161 /nfs/dbraw/zinc/95/81/61/1129958161.db2.gz MRESVJJNTQUZRY-HNNXBMFYSA-N 1 1 294.398 3.733 20 30 CHEDMO C[C@H](c1ccccc1Cl)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801917829 1129958242 /nfs/dbraw/zinc/95/82/42/1129958242.db2.gz RNDLLFYJXKGYTR-QWHCGFSZSA-N 1 1 292.810 3.794 20 30 CHEDMO C[N@@H+](CCSC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000801911211 1129958408 /nfs/dbraw/zinc/95/84/08/1129958408.db2.gz VSJAHDFSJYRDPU-UHFFFAOYSA-N 1 1 262.422 3.522 20 30 CHEDMO Cc1cccc([C@H]2CCCCC[N@@H+]2CCO[C@H](C)C#N)c1 ZINC000801921717 1129958932 /nfs/dbraw/zinc/95/89/32/1129958932.db2.gz KQQQPSUGXIFWBM-SJLPKXTDSA-N 1 1 286.419 3.841 20 30 CHEDMO Cc1cccc([C@H]2CCCCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC000801921716 1129958954 /nfs/dbraw/zinc/95/89/54/1129958954.db2.gz KQQQPSUGXIFWBM-FUHWJXTLSA-N 1 1 286.419 3.841 20 30 CHEDMO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC000801921718 1129959291 /nfs/dbraw/zinc/95/92/91/1129959291.db2.gz KQQQPSUGXIFWBM-WMZOPIPTSA-N 1 1 286.419 3.841 20 30 CHEDMO CC(C)(c1noc([C@H]([NH3+])CCCC#N)n1)C1CCCCC1 ZINC000823105357 1131413284 /nfs/dbraw/zinc/41/32/84/1131413284.db2.gz BDQQKQKOHHMBHM-CYBMUJFWSA-N 1 1 290.411 3.621 20 30 CHEDMO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1cc(C#N)ccn1 ZINC000902776044 1130056121 /nfs/dbraw/zinc/05/61/21/1130056121.db2.gz DANFJKFUEZZOAW-PXAZEXFGSA-N 1 1 295.411 3.592 20 30 CHEDMO CC[C@H]([NH2+]Cc1cc(C(C)C)no1)c1cccc(C#N)c1 ZINC000902804359 1130059845 /nfs/dbraw/zinc/05/98/45/1130059845.db2.gz OZRXQSTWMMUKDN-INIZCTEOSA-N 1 1 283.375 3.911 20 30 CHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000786437453 1130093415 /nfs/dbraw/zinc/09/34/15/1130093415.db2.gz PVLGVMURKJYTRH-CQSZACIVSA-N 1 1 274.408 3.647 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCC1 ZINC000903030727 1130101850 /nfs/dbraw/zinc/10/18/50/1130101850.db2.gz FDMSCFYIUNBWAM-HNNXBMFYSA-N 1 1 282.387 3.716 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1Cl ZINC000903032132 1130102887 /nfs/dbraw/zinc/10/28/87/1130102887.db2.gz QLCISYFHXKYYJK-LLVKDONJSA-N 1 1 278.783 3.693 20 30 CHEDMO CCC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000903032447 1130102980 /nfs/dbraw/zinc/10/29/80/1130102980.db2.gz TYEOFIIIEWFPHW-HNNXBMFYSA-N 1 1 287.363 3.719 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1 ZINC000903093880 1130111070 /nfs/dbraw/zinc/11/10/70/1130111070.db2.gz LFQBJINLXOQIKN-MRXNPFEDSA-N 1 1 281.359 3.665 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000903100787 1130112422 /nfs/dbraw/zinc/11/24/22/1130112422.db2.gz XRZJXOZLPDSARK-MRXNPFEDSA-N 1 1 284.403 3.528 20 30 CHEDMO Cc1ccc([C@H]([NH2+]CC2(C#N)CC2)C2CCCC2)o1 ZINC000903105391 1130113485 /nfs/dbraw/zinc/11/34/85/1130113485.db2.gz BVWOLMICPPGXPL-OAHLLOKOSA-N 1 1 258.365 3.713 20 30 CHEDMO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903106191 1130113725 /nfs/dbraw/zinc/11/37/25/1130113725.db2.gz NHXGCBRBZUSIMS-INIZCTEOSA-N 1 1 284.403 3.917 20 30 CHEDMO C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)c2ccsc2S1 ZINC000903106049 1130113762 /nfs/dbraw/zinc/11/37/62/1130113762.db2.gz LRPXSKNYJIYFIV-ONGXEEELSA-N 1 1 264.419 3.567 20 30 CHEDMO CCC[C@H]([NH2+]CC1(C#N)CCCC1)c1cc(C)ccn1 ZINC000903108342 1130114880 /nfs/dbraw/zinc/11/48/80/1130114880.db2.gz AACVDFBWRSRLGA-HNNXBMFYSA-N 1 1 271.408 3.905 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ccn(C)n1)c1cccc(Cl)c1 ZINC000903129975 1130117002 /nfs/dbraw/zinc/11/70/02/1130117002.db2.gz KVDRHXUZXSIGPA-INIZCTEOSA-N 1 1 289.810 3.871 20 30 CHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CCC2CC2)c1O ZINC000746637042 1130131066 /nfs/dbraw/zinc/13/10/66/1130131066.db2.gz JBYPEKHMAFVBRX-UHFFFAOYSA-N 1 1 289.419 3.751 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)Cc2ccccc21 ZINC000746653327 1130134259 /nfs/dbraw/zinc/13/42/59/1130134259.db2.gz KFMRBABILKNFHR-AWEZNQCLSA-N 1 1 256.393 3.936 20 30 CHEDMO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccsc1 ZINC000903264828 1130139200 /nfs/dbraw/zinc/13/92/00/1130139200.db2.gz WMZYQJJSJIIMMU-LBPRGKRZSA-N 1 1 277.418 3.707 20 30 CHEDMO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccsc1 ZINC000903264827 1130139830 /nfs/dbraw/zinc/13/98/30/1130139830.db2.gz WMZYQJJSJIIMMU-GFCCVEGCSA-N 1 1 277.418 3.707 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1ccccc1F ZINC000746672341 1130144808 /nfs/dbraw/zinc/14/48/08/1130144808.db2.gz NYYBDBNEUCJIQS-UHFFFAOYSA-N 1 1 262.372 3.630 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000787308015 1130145545 /nfs/dbraw/zinc/14/55/45/1130145545.db2.gz BVSSQCAKRRQKQI-ZDUSSCGKSA-N 1 1 296.208 3.695 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000787308786 1130145644 /nfs/dbraw/zinc/14/56/44/1130145644.db2.gz GEVNMIZCABDELK-ZBFHGGJFSA-N 1 1 270.376 3.518 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000787308014 1130146331 /nfs/dbraw/zinc/14/63/31/1130146331.db2.gz BVSSQCAKRRQKQI-CYBMUJFWSA-N 1 1 296.208 3.695 20 30 CHEDMO CC[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903325293 1130155249 /nfs/dbraw/zinc/15/52/49/1130155249.db2.gz STMNNPAMDNABHB-IAGOWNOFSA-N 1 1 292.386 3.540 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC(F)(F)C1 ZINC000787707365 1130159642 /nfs/dbraw/zinc/15/96/42/1130159642.db2.gz DQGKMHINDPMBTC-AWEZNQCLSA-N 1 1 281.321 3.696 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788589845 1130196726 /nfs/dbraw/zinc/19/67/26/1130196726.db2.gz WRLPRSJGRJSGLY-CYBMUJFWSA-N 1 1 280.755 3.659 20 30 CHEDMO C=CC[N@@H+](Cn1cc(-c2ccc(C)cc2)cn1)C(C)C ZINC000748293669 1130227744 /nfs/dbraw/zinc/22/77/44/1130227744.db2.gz ZETMEXWKRJWUIA-UHFFFAOYSA-N 1 1 269.392 3.712 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](CC)c2ccccc2)n1 ZINC000789757509 1130274406 /nfs/dbraw/zinc/27/44/06/1130274406.db2.gz ACOFWWYDUQSGJR-KRWDZBQOSA-N 1 1 295.430 3.532 20 30 CHEDMO C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254669572 1130285612 /nfs/dbraw/zinc/28/56/12/1130285612.db2.gz SWWJZMFLZLJRQB-HIFRSBDPSA-N 1 1 262.784 3.507 20 30 CHEDMO CC[C@H](C)N[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000790182836 1130294866 /nfs/dbraw/zinc/29/48/66/1130294866.db2.gz LXVPKCSZAFTNAP-ZETCQYMHSA-N 1 1 274.195 3.688 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000677477445 1130313100 /nfs/dbraw/zinc/31/31/00/1130313100.db2.gz GQCLVTZBIGETLW-GFCCVEGCSA-N 1 1 297.345 3.530 20 30 CHEDMO COCC#CC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000677819173 1130334029 /nfs/dbraw/zinc/33/40/29/1130334029.db2.gz TWANWELMMOIBBQ-CYBMUJFWSA-N 1 1 277.795 3.515 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1OC ZINC000678240088 1130379165 /nfs/dbraw/zinc/37/91/65/1130379165.db2.gz SVOZITPJPDYPAO-INIZCTEOSA-N 1 1 287.403 3.634 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OCC2CC2)cc1)C(C)C ZINC000792162608 1130434855 /nfs/dbraw/zinc/43/48/55/1130434855.db2.gz ODZFTBNXIOEVEJ-UHFFFAOYSA-N 1 1 259.393 3.872 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000792205598 1130439716 /nfs/dbraw/zinc/43/97/16/1130439716.db2.gz VOBFLASNAIZALZ-ZDUSSCGKSA-N 1 1 280.346 3.817 20 30 CHEDMO C=CCCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001170298916 1130476277 /nfs/dbraw/zinc/47/62/77/1130476277.db2.gz VHMVUMNUAOWQSA-OAHLLOKOSA-N 1 1 259.397 3.617 20 30 CHEDMO CC(C)[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376008 1130489553 /nfs/dbraw/zinc/48/95/53/1130489553.db2.gz JINCQTSIHDPSQD-UHFFFAOYSA-N 1 1 256.393 3.731 20 30 CHEDMO C[C@@H]1C[C@@H](F)C[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378864 1130489764 /nfs/dbraw/zinc/48/97/64/1130489764.db2.gz LVCZPOHNMRJDNC-DVHLICQRSA-N 1 1 286.394 3.823 20 30 CHEDMO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](CC)CC#N ZINC001255159174 1130509767 /nfs/dbraw/zinc/50/97/67/1130509767.db2.gz RUPGZMCWVXTFLR-UONOGXRCSA-N 1 1 258.365 3.594 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1 ZINC000793353367 1130542961 /nfs/dbraw/zinc/54/29/61/1130542961.db2.gz SDKRBJBNECHSEL-ZBFHGGJFSA-N 1 1 286.419 3.988 20 30 CHEDMO C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)Cc1cccc(C#N)c1 ZINC001137379184 1130544575 /nfs/dbraw/zinc/54/45/75/1130544575.db2.gz NWOLVWNGEBGZBP-UHFFFAOYSA-N 1 1 281.403 3.816 20 30 CHEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001255175949 1130551604 /nfs/dbraw/zinc/55/16/04/1130551604.db2.gz TZKVRYICECSUGD-SJORKVTESA-N 1 1 256.393 3.948 20 30 CHEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)cc2Cl)CC1 ZINC000758094857 1130597744 /nfs/dbraw/zinc/59/77/44/1130597744.db2.gz GJSHVKRFMQSZNE-UHFFFAOYSA-N 1 1 286.206 3.877 20 30 CHEDMO C=CC[N@H+](Cc1ccc(-n2ccnc2)c(OC)c1)C(C)(C)C ZINC001234085760 1130607362 /nfs/dbraw/zinc/60/73/62/1130607362.db2.gz WQTXIBODQGPTNO-UHFFFAOYSA-N 1 1 299.418 3.667 20 30 CHEDMO C#C[C@](C)(CC)Nc1cc(C)c2ccc(OC)cc2[nH+]1 ZINC001158738852 1130626133 /nfs/dbraw/zinc/62/61/33/1130626133.db2.gz XEGVWWXEXGRZHA-QGZVFWFLSA-N 1 1 268.360 3.766 20 30 CHEDMO CC(=[NH+]OCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000758903581 1130629939 /nfs/dbraw/zinc/62/99/39/1130629939.db2.gz IDDQGEHTZAZHOW-UHFFFAOYSA-N 1 1 282.334 3.683 20 30 CHEDMO C[N@H+](CCc1ccccc1F)Cc1cc(F)ccc1C#N ZINC000759344539 1130652856 /nfs/dbraw/zinc/65/28/56/1130652856.db2.gz ZZTBFOJXNAOXPO-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(F)ccc1C#N ZINC000759344539 1130652859 /nfs/dbraw/zinc/65/28/59/1130652859.db2.gz ZZTBFOJXNAOXPO-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001234855702 1130684167 /nfs/dbraw/zinc/68/41/67/1130684167.db2.gz DLFHRAJTTULXCK-OAHLLOKOSA-N 1 1 272.392 3.543 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235041366 1130704547 /nfs/dbraw/zinc/70/45/47/1130704547.db2.gz COKDYWGBAFNTKL-AWEZNQCLSA-N 1 1 297.377 3.946 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC=C)cc1)c1ccc(F)cc1 ZINC000812792969 1130717346 /nfs/dbraw/zinc/71/73/46/1130717346.db2.gz KCCGZWAIRFEYLC-LJQANCHMSA-N 1 1 295.357 3.855 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(C)c(F)c1)c1ccc(F)cc1 ZINC000812794305 1130718835 /nfs/dbraw/zinc/71/88/35/1130718835.db2.gz YNKYVZHNZZZNFM-QGZVFWFLSA-N 1 1 271.310 3.737 20 30 CHEDMO C=CC[N@H+](Cc1cccc(CC)n1)C1CCCCC1 ZINC001235266385 1130730759 /nfs/dbraw/zinc/73/07/59/1130730759.db2.gz NGZJMPBDSBTKEV-UHFFFAOYSA-N 1 1 258.409 3.965 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](C)CCCCC#N)cc1 ZINC000781622987 1130731660 /nfs/dbraw/zinc/73/16/60/1130731660.db2.gz NXZMQBIPYCTFCB-UHFFFAOYSA-N 1 1 273.424 3.658 20 30 CHEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1N(C)C ZINC001139671794 1130739799 /nfs/dbraw/zinc/73/97/99/1130739799.db2.gz LQXGWZZYQOSFRE-UHFFFAOYSA-N 1 1 285.435 3.719 20 30 CHEDMO C=CCC[N@H+](Cc1ccccc1)Cc1ncc(Cl)cn1 ZINC001235413393 1130739804 /nfs/dbraw/zinc/73/98/04/1130739804.db2.gz RMSQBALYUNRUIT-UHFFFAOYSA-N 1 1 287.794 3.708 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ncc(Cl)cn1 ZINC001235413393 1130739810 /nfs/dbraw/zinc/73/98/10/1130739810.db2.gz RMSQBALYUNRUIT-UHFFFAOYSA-N 1 1 287.794 3.708 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncc(OC)c1C ZINC001235467256 1130746534 /nfs/dbraw/zinc/74/65/34/1130746534.db2.gz WQVYNDUYQRIFNW-UHFFFAOYSA-N 1 1 296.414 3.977 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCC12CCCCC2 ZINC001235517628 1130750323 /nfs/dbraw/zinc/75/03/23/1130750323.db2.gz ZPELZUMQTWBTJC-UHFFFAOYSA-N 1 1 254.377 3.661 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1CCCC2(CCC2)C1 ZINC001235525173 1130752833 /nfs/dbraw/zinc/75/28/33/1130752833.db2.gz KFJNRPYEHZFTKD-UHFFFAOYSA-N 1 1 254.377 3.519 20 30 CHEDMO CCCC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235655888 1130762117 /nfs/dbraw/zinc/76/21/17/1130762117.db2.gz 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N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccc1Cl ZINC001238194682 1131179582 /nfs/dbraw/zinc/17/95/82/1131179582.db2.gz RDAPTQITJJREQE-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc1Cl ZINC001238194682 1131179586 /nfs/dbraw/zinc/17/95/86/1131179586.db2.gz RDAPTQITJJREQE-QGZVFWFLSA-N 1 1 297.789 3.944 20 30 CHEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238194626 1131179831 /nfs/dbraw/zinc/17/98/31/1131179831.db2.gz QKDFOVUEAUMIPA-HNNXBMFYSA-N 1 1 292.810 3.603 20 30 CHEDMO COc1cc(C[N@@H+](C)C/C=C/c2ccccc2)ccc1C#N ZINC001238413002 1131196281 /nfs/dbraw/zinc/19/62/81/1131196281.db2.gz LCOAKYRGIIXJGJ-RMKNXTFCSA-N 1 1 292.382 3.712 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(OC(C)C)cc1F ZINC001238449253 1131202782 /nfs/dbraw/zinc/20/27/82/1131202782.db2.gz DIRFREJKJPEXMN-UHFFFAOYSA-N 1 1 263.356 3.787 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(OCC)cc(C(F)(F)F)c1 ZINC001238491152 1131209264 /nfs/dbraw/zinc/20/92/64/1131209264.db2.gz CRLNWGSQMGPUSX-UHFFFAOYSA-N 1 1 273.298 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WRSVQRVFIASDRE-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO CC[N@H+](CCC#N)Cc1c(C)cc(OC(C)C)cc1C ZINC001238665191 1131227928 /nfs/dbraw/zinc/22/79/28/1131227928.db2.gz ZHZDMYDOPINUTF-UHFFFAOYSA-N 1 1 274.408 3.826 20 30 CHEDMO CC[N@@H+](CCC#N)Cc1c(C)cc(OC(C)C)cc1C ZINC001238665191 1131227930 /nfs/dbraw/zinc/22/79/30/1131227930.db2.gz ZHZDMYDOPINUTF-UHFFFAOYSA-N 1 1 274.408 3.826 20 30 CHEDMO CC(C)C[N@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000823382305 1131424625 /nfs/dbraw/zinc/42/46/25/1131424625.db2.gz DQWUAKQUPXEBRZ-UHFFFAOYSA-N 1 1 291.782 3.853 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000823382305 1131424627 /nfs/dbraw/zinc/42/46/27/1131424627.db2.gz DQWUAKQUPXEBRZ-UHFFFAOYSA-N 1 1 291.782 3.853 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001137894242 1131431016 /nfs/dbraw/zinc/43/10/16/1131431016.db2.gz PLWIUMUAENPDOG-ULQDDVLXSA-N 1 1 296.499 3.924 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000829784403 1131432617 /nfs/dbraw/zinc/43/26/17/1131432617.db2.gz JCQAALGTTLGNLW-AWEZNQCLSA-N 1 1 298.361 3.716 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000829774289 1131432705 /nfs/dbraw/zinc/43/27/05/1131432705.db2.gz OWTJKWWHPJDIAS-INIZCTEOSA-N 1 1 294.398 3.885 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000829779397 1131432958 /nfs/dbraw/zinc/43/29/58/1131432958.db2.gz SZVWUXWEEWVYOE-CQSZACIVSA-N 1 1 282.362 3.609 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000823624064 1131434284 /nfs/dbraw/zinc/43/42/84/1131434284.db2.gz PLHXIHSIAMWCPP-GWCFXTLKSA-N 1 1 283.202 3.745 20 30 CHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000829809819 1131434390 /nfs/dbraw/zinc/43/43/90/1131434390.db2.gz IJOYIYCTROMXOF-KBPBESRZSA-N 1 1 268.360 3.624 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000823619085 1131434561 /nfs/dbraw/zinc/43/45/61/1131434561.db2.gz XCVKIMXYAQTDNO-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824114187 1131456329 /nfs/dbraw/zinc/45/63/29/1131456329.db2.gz QZUHHYVAFXFMLI-GJZGRUSLSA-N 1 1 296.455 3.530 20 30 CHEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824114189 1131456473 /nfs/dbraw/zinc/45/64/73/1131456473.db2.gz QZUHHYVAFXFMLI-LSDHHAIUSA-N 1 1 296.455 3.530 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136862576 1131464564 /nfs/dbraw/zinc/46/45/64/1131464564.db2.gz QTLNOVHIFCBYPX-LBPRGKRZSA-N 1 1 287.794 3.947 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136862576 1131464566 /nfs/dbraw/zinc/46/45/66/1131464566.db2.gz QTLNOVHIFCBYPX-LBPRGKRZSA-N 1 1 287.794 3.947 20 30 CHEDMO C=CC[N@@H+](Cc1cc2c(cc1Cl)OCO2)C(C)(C)C ZINC001138246183 1131481400 /nfs/dbraw/zinc/48/14/00/1131481400.db2.gz JYDFQBUTETXGBE-UHFFFAOYSA-N 1 1 281.783 3.855 20 30 CHEDMO C=CC[N@H+](C)Cc1c[nH]c2ccc(Br)cc12 ZINC001138320197 1131490022 /nfs/dbraw/zinc/49/00/22/1131490022.db2.gz VADPUYVNRXQQSX-UHFFFAOYSA-N 1 1 279.181 3.548 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(O)cc(O)c1 ZINC001138330127 1131492204 /nfs/dbraw/zinc/49/22/04/1131492204.db2.gz VWDQLWBABBVKIO-UHFFFAOYSA-N 1 1 283.371 3.676 20 30 CHEDMO C[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074401 1131499855 /nfs/dbraw/zinc/49/98/55/1131499855.db2.gz PPCKIYQPCQCKQT-GFCCVEGCSA-N 1 1 283.202 3.696 20 30 CHEDMO C[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074401 1131499857 /nfs/dbraw/zinc/49/98/57/1131499857.db2.gz PPCKIYQPCQCKQT-GFCCVEGCSA-N 1 1 283.202 3.696 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000831727095 1131500513 /nfs/dbraw/zinc/50/05/13/1131500513.db2.gz LOYXGXPMAYVIPI-INIZCTEOSA-N 1 1 294.483 3.751 20 30 CHEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1C)C(C)(C)C ZINC001138440475 1131506338 /nfs/dbraw/zinc/50/63/38/1131506338.db2.gz HNIMVWHTLPIIEP-UHFFFAOYSA-N 1 1 277.408 3.799 20 30 CHEDMO COc1ccc(F)c(C[NH+]2CCC(CC#N)CC2)c1Cl ZINC001143371574 1131518235 /nfs/dbraw/zinc/51/82/35/1131518235.db2.gz ZOPKWTQOBVJZKQ-UHFFFAOYSA-N 1 1 296.773 3.613 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C(F)(F)F)c2)C1 ZINC001143644534 1131520913 /nfs/dbraw/zinc/52/09/13/1131520913.db2.gz HRMPEPXJWZNMDT-LBPRGKRZSA-N 1 1 297.320 3.559 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(C(F)(F)F)c2)C1 ZINC001143644534 1131520917 /nfs/dbraw/zinc/52/09/17/1131520917.db2.gz HRMPEPXJWZNMDT-LBPRGKRZSA-N 1 1 297.320 3.559 20 30 CHEDMO C#CCOc1ccc(C[N@H+](CCC)CCCC)cc1 ZINC001138558709 1131521189 /nfs/dbraw/zinc/52/11/89/1131521189.db2.gz GKFDSTAHRXUVBB-UHFFFAOYSA-N 1 1 259.393 3.711 20 30 CHEDMO C#CCOc1ccc(C[N@@H+](CC)Cc2ccc(F)cc2)cc1 ZINC001138557288 1131521465 /nfs/dbraw/zinc/52/14/65/1131521465.db2.gz FHTWWOULILXMRR-UHFFFAOYSA-N 1 1 297.373 3.860 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC001138574044 1131523290 /nfs/dbraw/zinc/52/32/90/1131523290.db2.gz MUYGSEMWSHUOES-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC001138574044 1131523293 /nfs/dbraw/zinc/52/32/93/1131523293.db2.gz MUYGSEMWSHUOES-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO CCC[NH+](CCC)Cc1c(Cl)cccc1C#N ZINC001143716083 1131524170 /nfs/dbraw/zinc/52/41/70/1131524170.db2.gz CYAAQSOSLBEEDS-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO C=CCc1cccc(C[N@@H+](CCC)CC2CC2)c1O ZINC001138623254 1131527694 /nfs/dbraw/zinc/52/76/94/1131527694.db2.gz BAFDADNOBXGZHZ-UHFFFAOYSA-N 1 1 259.393 3.743 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001138665520 1131534065 /nfs/dbraw/zinc/53/40/65/1131534065.db2.gz ODHSCBJZQNQTOD-MRXNPFEDSA-N 1 1 284.403 3.767 20 30 CHEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](OCC)C1 ZINC001138664704 1131534425 /nfs/dbraw/zinc/53/44/25/1131534425.db2.gz VPXATWDAAXKQPM-QGZVFWFLSA-N 1 1 289.419 3.642 20 30 CHEDMO C=CC[N@@H+](Cc1cnc2ccccc2n1)C1CCCCC1 ZINC001138867237 1131556533 /nfs/dbraw/zinc/55/65/33/1131556533.db2.gz JIANOOKIZXWRLU-UHFFFAOYSA-N 1 1 281.403 3.951 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440745 1131564877 /nfs/dbraw/zinc/56/48/77/1131564877.db2.gz WGOLIWDXJRKROD-WFASDCNBSA-N 1 1 276.330 3.740 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC001139015522 1131572375 /nfs/dbraw/zinc/57/23/75/1131572375.db2.gz FIYFVJHTACDCPI-UHFFFAOYSA-N 1 1 272.314 3.889 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139030874 1131574505 /nfs/dbraw/zinc/57/45/05/1131574505.db2.gz WAMAVNFUTSGFJE-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001139029335 1131574826 /nfs/dbraw/zinc/57/48/26/1131574826.db2.gz UNRQSXYHGUVYJE-GASCZTMLSA-N 1 1 293.357 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001139030932 1131575005 /nfs/dbraw/zinc/57/50/05/1131575005.db2.gz YWNRJMPBSMRGCV-UHFFFAOYSA-N 1 1 297.373 3.949 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001139030932 1131575007 /nfs/dbraw/zinc/57/50/07/1131575007.db2.gz YWNRJMPBSMRGCV-UHFFFAOYSA-N 1 1 297.373 3.949 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139029162 1131575173 /nfs/dbraw/zinc/57/51/73/1131575173.db2.gz QBLZGPSGZIFIOM-HOTGVXAUSA-N 1 1 271.404 3.873 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3ccn(CC)c3c2)C1 ZINC001139124000 1131584287 /nfs/dbraw/zinc/58/42/87/1131584287.db2.gz IGWVLKMWYRRLLR-OAHLLOKOSA-N 1 1 266.388 3.506 20 30 CHEDMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139159377 1131589634 /nfs/dbraw/zinc/58/96/34/1131589634.db2.gz XFJXESZXRKWINW-HNNXBMFYSA-N 1 1 281.403 3.787 20 30 CHEDMO Cc1cccc2[nH]cc(C[N@H+]3CCC[C@H](CC#N)C3)c21 ZINC001139197192 1131594744 /nfs/dbraw/zinc/59/47/44/1131594744.db2.gz IIADUBNUDAKBKX-CQSZACIVSA-N 1 1 267.376 3.602 20 30 CHEDMO Cc1cccc2[nH]cc(C[N@H+](C)Cc3ccc(C#N)cc3)c21 ZINC001139197413 1131594894 /nfs/dbraw/zinc/59/48/94/1131594894.db2.gz NWPAZXIBWMSELS-UHFFFAOYSA-N 1 1 289.382 3.980 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139339156 1131602668 /nfs/dbraw/zinc/60/26/68/1131602668.db2.gz QJMIJQJUQOAQLD-AWEZNQCLSA-N 1 1 280.371 3.671 20 30 CHEDMO C[N@@H+](CCC1CC1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405617 1131606829 /nfs/dbraw/zinc/60/68/29/1131606829.db2.gz WTOJOVCVNILUSJ-UHFFFAOYSA-N 1 1 291.398 3.852 20 30 CHEDMO CCC[N@@H+](CC)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400509 1131606890 /nfs/dbraw/zinc/60/68/90/1131606890.db2.gz UVVASOWBXGKONX-UHFFFAOYSA-N 1 1 279.387 3.852 20 30 CHEDMO C=CC[NH+](CC=C)Cc1c2ccccc2[nH]c1C(=O)OCC ZINC001139464410 1131609457 /nfs/dbraw/zinc/60/94/57/1131609457.db2.gz QNMRYZZFWIUTSX-UHFFFAOYSA-N 1 1 298.386 3.519 20 30 CHEDMO CCc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001144323199 1131617539 /nfs/dbraw/zinc/61/75/39/1131617539.db2.gz SARYJEHIWKCQJR-UHFFFAOYSA-N 1 1 256.393 3.907 20 30 CHEDMO CCOc1ccc(C)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001139603462 1131620395 /nfs/dbraw/zinc/62/03/95/1131620395.db2.gz DVPCYKSHCSZOHP-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144386123 1131623040 /nfs/dbraw/zinc/62/30/40/1131623040.db2.gz RUFIPACAQMVNAB-NSHDSACASA-N 1 1 298.308 3.537 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144386123 1131623044 /nfs/dbraw/zinc/62/30/44/1131623044.db2.gz RUFIPACAQMVNAB-NSHDSACASA-N 1 1 298.308 3.537 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCC[C@@H]1C ZINC001139646831 1131626464 /nfs/dbraw/zinc/62/64/64/1131626464.db2.gz OQEGNOOHKLNBGX-STQMWFEESA-N 1 1 260.356 3.565 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001139646825 1131626956 /nfs/dbraw/zinc/62/69/56/1131626956.db2.gz OQEGNOOHKLNBGX-CHWSQXEVSA-N 1 1 260.356 3.565 20 30 CHEDMO CCC[N@H+](Cc1cccc(Cl)c1C#N)CC1CC1 ZINC001139689757 1131628944 /nfs/dbraw/zinc/62/89/44/1131628944.db2.gz LTGQDCZZVIBZFW-UHFFFAOYSA-N 1 1 262.784 3.834 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1C ZINC001139701153 1131630160 /nfs/dbraw/zinc/63/01/60/1131630160.db2.gz BRCXYKCNFNPUPG-UONOGXRCSA-N 1 1 281.403 3.908 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@H](C)C1 ZINC001139702949 1131630372 /nfs/dbraw/zinc/63/03/72/1131630372.db2.gz DOWJAKFZRJKHRZ-CHWSQXEVSA-N 1 1 267.376 3.660 20 30 CHEDMO N#Cc1cccc2c(C[N@H+]3CCc4sccc4C3)c[nH]c21 ZINC001139702714 1131630541 /nfs/dbraw/zinc/63/05/41/1131630541.db2.gz FVZFKNKUFFLWHL-UHFFFAOYSA-N 1 1 293.395 3.659 20 30 CHEDMO N#Cc1cccc2c(C[N@H+]3CCc4ccccc4C3)c[nH]c21 ZINC001139702097 1131630546 /nfs/dbraw/zinc/63/05/46/1131630546.db2.gz VVXGOQUUGJGQBA-UHFFFAOYSA-N 1 1 287.366 3.598 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139707341 1131631366 /nfs/dbraw/zinc/63/13/66/1131631366.db2.gz XBXACTJZGLSJMZ-INIZCTEOSA-N 1 1 267.376 3.660 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)cc1C#N ZINC001139726073 1131631995 /nfs/dbraw/zinc/63/19/95/1131631995.db2.gz PYRASRZEXMQPJV-UHFFFAOYSA-N 1 1 298.411 3.633 20 30 CHEDMO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)cc1C#N ZINC001139727280 1131632199 /nfs/dbraw/zinc/63/21/99/1131632199.db2.gz LYUHKVSNNBGIEK-IBGZPJMESA-N 1 1 298.430 3.648 20 30 CHEDMO Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1C#N ZINC001139722808 1131632334 /nfs/dbraw/zinc/63/23/34/1131632334.db2.gz HAUXSUIMHPCDDU-OAHLLOKOSA-N 1 1 276.383 3.986 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1C#N ZINC001139724625 1131632637 /nfs/dbraw/zinc/63/26/37/1131632637.db2.gz XWIGLLDAURFHBU-IBGZPJMESA-N 1 1 292.382 3.520 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC001139725916 1131632727 /nfs/dbraw/zinc/63/27/27/1131632727.db2.gz JGQFNJIMGNZEDC-KRWDZBQOSA-N 1 1 294.373 3.995 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)cc1C#N ZINC001139722596 1131632773 /nfs/dbraw/zinc/63/27/73/1131632773.db2.gz CFRKCBWDZJBUKK-MRXNPFEDSA-N 1 1 260.356 3.581 20 30 CHEDMO C#CC[NH+](CC#C)Cc1ccc2oc3ccccc3c2c1 ZINC001139755115 1131635776 /nfs/dbraw/zinc/63/57/76/1131635776.db2.gz VLBHRAZZNYXKOO-UHFFFAOYSA-N 1 1 273.335 3.654 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccccc2C(F)F)C1 ZINC001139798889 1131636294 /nfs/dbraw/zinc/63/62/94/1131636294.db2.gz HAKCOAQUTCPENM-LBPRGKRZSA-N 1 1 264.319 3.750 20 30 CHEDMO CC(=[NH+]NCc1ccc(F)cc1)c1ccc(Cl)c(N)c1 ZINC001324925047 1131639858 /nfs/dbraw/zinc/63/98/58/1131639858.db2.gz NTWURKZVOXFUGO-UHFFFAOYSA-N 1 1 291.757 3.575 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139873536 1131644012 /nfs/dbraw/zinc/64/40/12/1131644012.db2.gz UTDONTGLYQUOMC-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139873536 1131644013 /nfs/dbraw/zinc/64/40/13/1131644013.db2.gz UTDONTGLYQUOMC-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO CC1(C)C[N@H+](Cc2cc(F)cc(C#N)c2)Cc2ccccc21 ZINC001139876099 1131644092 /nfs/dbraw/zinc/64/40/92/1131644092.db2.gz KZKRJCKEQQKIKZ-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(F)cc(C#N)c2)Cc2ccccc21 ZINC001139876099 1131644096 /nfs/dbraw/zinc/64/40/96/1131644096.db2.gz KZKRJCKEQQKIKZ-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC001139876172 1131644140 /nfs/dbraw/zinc/64/41/40/1131644140.db2.gz NUYLNEQDSAEOMI-UHFFFAOYSA-N 1 1 280.346 3.886 20 30 CHEDMO CC[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1F ZINC001139875889 1131644356 /nfs/dbraw/zinc/64/43/56/1131644356.db2.gz FPQJXZMOHRXZCT-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO CC[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1F ZINC001139875889 1131644360 /nfs/dbraw/zinc/64/43/60/1131644360.db2.gz FPQJXZMOHRXZCT-UHFFFAOYSA-N 1 1 286.325 3.859 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)ccc1O)C1CCCCC1 ZINC001140060040 1131660382 /nfs/dbraw/zinc/66/03/82/1131660382.db2.gz HZBSFPWWFBZDAV-UHFFFAOYSA-N 1 1 263.356 3.852 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)cc1 ZINC001144567766 1131661102 /nfs/dbraw/zinc/66/11/02/1131661102.db2.gz AQTYKKDMANJANQ-ZDUSSCGKSA-N 1 1 263.331 3.535 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1 ZINC001144578818 1131661246 /nfs/dbraw/zinc/66/12/46/1131661246.db2.gz QSSQASBWHWSBSK-UHFFFAOYSA-N 1 1 263.384 3.917 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)cc1 ZINC001144578475 1131661360 /nfs/dbraw/zinc/66/13/60/1131661360.db2.gz CPDCSUAUVRGMTM-LJQANCHMSA-N 1 1 276.383 3.708 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001144576262 1131662186 /nfs/dbraw/zinc/66/21/86/1131662186.db2.gz ICDUOZVXLILULD-QZTJIDSGSA-N 1 1 253.389 3.823 20 30 CHEDMO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)C[C@@H]1CC1(C)C ZINC001140115203 1131665722 /nfs/dbraw/zinc/66/57/22/1131665722.db2.gz QLNCLKLCDWQULM-AWEZNQCLSA-N 1 1 267.376 3.517 20 30 CHEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)cc1F ZINC001140140378 1131666985 /nfs/dbraw/zinc/66/69/85/1131666985.db2.gz UVIITYPLGFYJTN-GORDUTHDSA-N 1 1 295.361 3.628 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1c(C)ccc(C)c1O ZINC001140179037 1131673240 /nfs/dbraw/zinc/67/32/40/1131673240.db2.gz FPKMMSGVKZQIIV-UHFFFAOYSA-N 1 1 260.381 3.525 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CSCCc3ccccc32)CCCC1 ZINC000846011333 1131677750 /nfs/dbraw/zinc/67/77/50/1131677750.db2.gz SEEYMYPGJQRMOA-MRXNPFEDSA-N 1 1 286.444 3.691 20 30 CHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCC2)ccc1F ZINC000846009874 1131677828 /nfs/dbraw/zinc/67/78/28/1131677828.db2.gz DMCVXBQVZFOUGE-LBPRGKRZSA-N 1 1 276.355 3.569 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC2(CCCC2)C1 ZINC001171221579 1131705098 /nfs/dbraw/zinc/70/50/98/1131705098.db2.gz PMYBMEKYWUOCEE-HNNXBMFYSA-N 1 1 268.404 3.755 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ccsc2C1 ZINC001171221010 1131706234 /nfs/dbraw/zinc/70/62/34/1131706234.db2.gz HCQDFAIYFXNSJE-ZDUSSCGKSA-N 1 1 282.412 3.609 20 30 CHEDMO CC[C@H]1CCC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171222067 1131706845 /nfs/dbraw/zinc/70/68/45/1131706845.db2.gz CLGYGJGUBDKXNN-CABCVRRESA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC001171222754 1131707440 /nfs/dbraw/zinc/70/74/40/1131707440.db2.gz IZTLWZHOQYCSJP-AWEZNQCLSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccsc1 ZINC001171224541 1131710014 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C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140546187 1131787007 /nfs/dbraw/zinc/78/70/07/1131787007.db2.gz XQFMVQLXXQKAGQ-GFCCVEGCSA-N 1 1 285.778 3.800 20 30 CHEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140601258 1131821415 /nfs/dbraw/zinc/82/14/15/1131821415.db2.gz KKXYAYGNRQKILE-HNNXBMFYSA-N 1 1 292.810 3.603 20 30 CHEDMO N#Cc1ccc(Cl)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001140602259 1131823684 /nfs/dbraw/zinc/82/36/84/1131823684.db2.gz IGDMSECYQWMCTC-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001140602804 1131823816 /nfs/dbraw/zinc/82/38/16/1131823816.db2.gz PVUTUBZJOQMQFU-CZUORRHYSA-N 1 1 274.795 3.976 20 30 CHEDMO N#Cc1ccc(Cl)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC001140603086 1131824038 /nfs/dbraw/zinc/82/40/38/1131824038.db2.gz ZUPTZFKJGKYKHB-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO C=CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000348106728 1131881869 /nfs/dbraw/zinc/88/18/69/1131881869.db2.gz ICYAUXMVPGUTFF-INIZCTEOSA-N 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C=CCCCC[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141112520 1132021780 /nfs/dbraw/zinc/02/17/80/1132021780.db2.gz DSIRHQVUFMIXJH-UHFFFAOYSA-N 1 1 283.828 3.643 20 30 CHEDMO C=CC[N@H+](C)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141117950 1132021935 /nfs/dbraw/zinc/02/19/35/1132021935.db2.gz DSTSNOITBFDAND-UHFFFAOYSA-N 1 1 256.324 3.506 20 30 CHEDMO Cc1ccc(C[N@H+](CCO[C@@H](C)C#N)CC(C)C)c(C)c1 ZINC001171446815 1132022154 /nfs/dbraw/zinc/02/21/54/1132022154.db2.gz RQOLYFKPQRSRMS-KRWDZBQOSA-N 1 1 288.435 3.690 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141208749 1132044589 /nfs/dbraw/zinc/04/45/89/1132044589.db2.gz JFKYELXYZPJXNA-OAHLLOKOSA-N 1 1 294.373 3.733 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC001171573641 1132058920 /nfs/dbraw/zinc/05/89/20/1132058920.db2.gz SGDUDJZEUJVOMC-MRXNPFEDSA-N 1 1 271.404 3.567 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC001171571864 1132059118 /nfs/dbraw/zinc/05/91/18/1132059118.db2.gz CPCIQTDTHHHKPE-CHWSQXEVSA-N 1 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CCC[N@@H+](CC1CC1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309731 1132155384 /nfs/dbraw/zinc/15/53/84/1132155384.db2.gz WQBDEZGTKRMSCJ-AWEZNQCLSA-N 1 1 256.393 3.611 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001172316465 1132157591 /nfs/dbraw/zinc/15/75/91/1132157591.db2.gz SXEWUSVZABPCMW-ZDUSSCGKSA-N 1 1 292.373 3.856 20 30 CHEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H](C)C(=O)OCC ZINC001172347423 1132180877 /nfs/dbraw/zinc/18/08/77/1132180877.db2.gz UQDIVACTUYROHE-UONOGXRCSA-N 1 1 257.418 3.667 20 30 CHEDMO CC[C@@H](C)OCC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172336055 1132175276 /nfs/dbraw/zinc/17/52/76/1132175276.db2.gz GQIGHYMADLXYHT-IAGOWNOFSA-N 1 1 288.435 3.996 20 30 CHEDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172336055 1132175281 /nfs/dbraw/zinc/17/52/81/1132175281.db2.gz GQIGHYMADLXYHT-IAGOWNOFSA-N 1 1 288.435 3.996 20 30 CHEDMO CC[C@H](C)OCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172343745 1132179353 /nfs/dbraw/zinc/17/93/53/1132179353.db2.gz USBBHVLYKDXWGX-GJZGRUSLSA-N 1 1 274.408 3.584 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172353732 1132184321 /nfs/dbraw/zinc/18/43/21/1132184321.db2.gz AXWHNONQNUXTJD-GVDBMIGSSA-N 1 1 294.483 3.821 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001172357047 1132185474 /nfs/dbraw/zinc/18/54/74/1132185474.db2.gz ASUQDWWZSDCAMX-DOTOQJQBSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCc2nccn2CC1 ZINC001172356181 1132186115 /nfs/dbraw/zinc/18/61/15/1132186115.db2.gz UWOCYMSFOVCRRH-MRXNPFEDSA-N 1 1 277.456 3.880 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H]1C ZINC001172364202 1132190701 /nfs/dbraw/zinc/19/07/01/1132190701.db2.gz AGOQLYPUSJWSJZ-HBUWYVDXSA-N 1 1 268.404 3.741 20 30 CHEDMO Cc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000839383694 1132204725 /nfs/dbraw/zinc/20/47/25/1132204725.db2.gz NFRQCUANUCCHRF-UHFFFAOYSA-N 1 1 279.387 3.669 20 30 CHEDMO C=CC[NH+](CC=C)Cc1cc2cccnc2cc1F ZINC001141631478 1132216228 /nfs/dbraw/zinc/21/62/28/1132216228.db2.gz RTKZRRFEAQUZNC-UHFFFAOYSA-N 1 1 256.324 3.548 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cccnc2cc1F ZINC001141631636 1132217014 /nfs/dbraw/zinc/21/70/14/1132217014.db2.gz UOKVOLMCMQHNHL-DVSIDAKKSA-N 1 1 295.361 3.640 20 30 CHEDMO Cc1ccc(N2CC[N@H+]([C@@H](C)CCC#N)[C@H](C)C2)cc1C ZINC000839504598 1132219190 /nfs/dbraw/zinc/21/91/90/1132219190.db2.gz LUZLBMDYGQKRSI-DLBZAZTESA-N 1 1 285.435 3.506 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000839602290 1132224896 /nfs/dbraw/zinc/22/48/96/1132224896.db2.gz ZPGPJROPNRHFMU-GFCCVEGCSA-N 1 1 294.609 3.759 20 30 CHEDMO C=C[C@@H](CCCCCCC)Oc1[nH+][nH]cc2nncc1-2 ZINC001230900677 1132225645 /nfs/dbraw/zinc/22/56/45/1132225645.db2.gz JZTBEROSMMGTJK-LBPRGKRZSA-N 1 1 274.368 3.647 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839652078 1132229406 /nfs/dbraw/zinc/22/94/06/1132229406.db2.gz YZEJWRMTMBYBGQ-KBAYOESNSA-N 1 1 286.419 3.573 20 30 CHEDMO CC(C)P(CC[NH2+][C@H](C)CCCC#N)C(C)C ZINC001172491260 1132246764 /nfs/dbraw/zinc/24/67/64/1132246764.db2.gz FTOPXXHOUNULNY-CQSZACIVSA-N 1 1 256.374 3.957 20 30 CHEDMO C[C@@H](CCCC#N)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001172491653 1132247377 /nfs/dbraw/zinc/24/73/77/1132247377.db2.gz GBBAZODMHYAHFL-LBPRGKRZSA-N 1 1 299.340 3.657 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001172498279 1132248280 /nfs/dbraw/zinc/24/82/80/1132248280.db2.gz KHLJFBOKTREXBV-NRSFXHEJSA-N 1 1 290.451 3.596 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172494449 1132248771 /nfs/dbraw/zinc/24/87/71/1132248771.db2.gz UXJIKQOVBKGPII-APWZRJJASA-N 1 1 293.414 3.975 20 30 CHEDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)CCCC#N)cn1 ZINC001172498370 1132248935 /nfs/dbraw/zinc/24/89/35/1132248935.db2.gz MEHIMZKYZSTNHB-ZBFHGGJFSA-N 1 1 257.381 3.609 20 30 CHEDMO CCCCCCC[C@@H](CCC)[NH2+][C@@H](C)C(=O)OC ZINC001172502518 1132251735 /nfs/dbraw/zinc/25/17/35/1132251735.db2.gz QYLHCYRTMJAZOR-UONOGXRCSA-N 1 1 257.418 3.667 20 30 CHEDMO CCCCCCC[C@H](CCC)n1cnc(C[NH3+])cc1=N ZINC001172502957 1132251873 /nfs/dbraw/zinc/25/18/73/1132251873.db2.gz UVWMGKHCVDHOQL-HNNXBMFYSA-N 1 1 278.444 3.523 20 30 CHEDMO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172504260 1132253276 /nfs/dbraw/zinc/25/32/76/1132253276.db2.gz FLFNFXXZRRWFQE-WMLDXEAASA-N 1 1 272.392 3.914 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001172504655 1132253679 /nfs/dbraw/zinc/25/36/79/1132253679.db2.gz HPOBOWSTAWJEEJ-PBHICJAKSA-N 1 1 274.383 3.915 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001172505319 1132253721 /nfs/dbraw/zinc/25/37/21/1132253721.db2.gz LUYBCWFSRQUJNQ-HRCADAONSA-N 1 1 253.430 3.989 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@](F)(CO)C1 ZINC001172505636 1132254861 /nfs/dbraw/zinc/25/48/61/1132254861.db2.gz QUORIYRWVYYJTH-HZPDHXFCSA-N 1 1 273.436 3.922 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001172507109 1132255741 /nfs/dbraw/zinc/25/57/41/1132255741.db2.gz PEMNVYGUNLFUDR-GOEBONIOSA-N 1 1 274.433 3.859 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCn2nncc2C1 ZINC001172510406 1132257674 /nfs/dbraw/zinc/25/76/74/1132257674.db2.gz BJQMNPMKBDYMQX-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)CC(=O)N(C)C ZINC001172510601 1132258159 /nfs/dbraw/zinc/25/81/59/1132258159.db2.gz GUEKDXCRBQEZTG-OAHLLOKOSA-N 1 1 270.461 3.536 20 30 CHEDMO C[N@@H+](Cc1cc(Br)ccc1C#N)C(C)(C)C ZINC001141901336 1132266080 /nfs/dbraw/zinc/26/60/80/1132266080.db2.gz UBXWTHYFBGEWDY-UHFFFAOYSA-N 1 1 281.197 3.551 20 30 CHEDMO CSc1nc(C[N@@H+](C)Cc2ccccc2C)ccc1C#N ZINC001141938446 1132270581 /nfs/dbraw/zinc/27/05/81/1132270581.db2.gz CKNZSLLOLNWQMF-UHFFFAOYSA-N 1 1 297.427 3.616 20 30 CHEDMO CC(C)[NH+]1CC(Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200597 1132270953 /nfs/dbraw/zinc/27/09/53/1132270953.db2.gz QVBFWUTVBJGVGI-UDWIEESQSA-N 1 1 294.398 3.909 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(C)c(Cl)c1 ZINC001231422376 1132291839 /nfs/dbraw/zinc/29/18/39/1132291839.db2.gz MIKQRDVMCQJTTM-UHFFFAOYSA-N 1 1 250.773 3.774 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(C)c(Cl)c1 ZINC001231422376 1132291842 /nfs/dbraw/zinc/29/18/42/1132291842.db2.gz MIKQRDVMCQJTTM-UHFFFAOYSA-N 1 1 250.773 3.774 20 30 CHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172722071 1132295123 /nfs/dbraw/zinc/29/51/23/1132295123.db2.gz NQXKZFXUEHLTPB-UQCMEYCASA-N 1 1 286.806 3.574 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172723210 1132297160 /nfs/dbraw/zinc/29/71/60/1132297160.db2.gz FMVUOIZGTYOAGB-GOSISDBHSA-N 1 1 296.801 3.811 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(CC)s1 ZINC001231501520 1132306356 /nfs/dbraw/zinc/30/63/56/1132306356.db2.gz KNFAXLJKHNQSDX-UHFFFAOYSA-N 1 1 250.411 3.826 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(CC)s1 ZINC001231501520 1132306358 /nfs/dbraw/zinc/30/63/58/1132306358.db2.gz KNFAXLJKHNQSDX-UHFFFAOYSA-N 1 1 250.411 3.826 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(F)cc1 ZINC000840948890 1132312147 /nfs/dbraw/zinc/31/21/47/1132312147.db2.gz ZDUYJARUMXFQGT-IBGZPJMESA-N 1 1 296.389 3.664 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001231620034 1132326351 /nfs/dbraw/zinc/32/63/51/1132326351.db2.gz OWHZAZGKOUDZLC-CVEARBPZSA-N 1 1 284.403 3.579 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(F)CC2)c1 ZINC001231621338 1132328891 /nfs/dbraw/zinc/32/88/91/1132328891.db2.gz YUNQREPJENRVCC-KRWDZBQOSA-N 1 1 277.383 3.966 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001231622030 1132329674 /nfs/dbraw/zinc/32/96/74/1132329674.db2.gz ORMMISMRLSFMKU-IAGOWNOFSA-N 1 1 271.404 3.873 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CCCc3ccc(OC)cc3C2)c1 ZINC001231660980 1132339151 /nfs/dbraw/zinc/33/91/51/1132339151.db2.gz MJADAHDQDFPHNC-UHFFFAOYSA-N 1 1 291.394 3.625 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172859213 1132343216 /nfs/dbraw/zinc/34/32/16/1132343216.db2.gz YSDXKVSXMVUXIG-OLZOCXBDSA-N 1 1 279.786 3.755 20 30 CHEDMO C#CC[N@H+](C)Cc1c(OC(C)C)ccc2ccccc21 ZINC001231738144 1132348902 /nfs/dbraw/zinc/34/89/02/1132348902.db2.gz UGWIPXLSGVEHMR-UHFFFAOYSA-N 1 1 267.372 3.692 20 30 CHEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCC[C@H](OC)C1 ZINC001172922482 1132363070 /nfs/dbraw/zinc/36/30/70/1132363070.db2.gz HJABHBUHSYZGPV-SJORKVTESA-N 1 1 284.488 3.565 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc2ccccc2c1O ZINC001231882338 1132389879 /nfs/dbraw/zinc/38/98/79/1132389879.db2.gz PPBYYTGQDBVWTR-UHFFFAOYSA-N 1 1 268.360 3.671 20 30 CHEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1O ZINC000841756986 1132393692 /nfs/dbraw/zinc/39/36/92/1132393692.db2.gz LRUCHLQJOZRRFF-GVXVVHGQSA-N 1 1 278.783 3.779 20 30 CHEDMO Cc1cc(C[NH2+]CC2(C#N)CCC2)cc(C)c1OC(F)F ZINC000841899525 1132401171 /nfs/dbraw/zinc/40/11/71/1132401171.db2.gz WCMSLCRCDIYBBK-UHFFFAOYSA-N 1 1 294.345 3.688 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnc(F)cc1C ZINC001231984585 1132406184 /nfs/dbraw/zinc/40/61/84/1132406184.db2.gz IQSNQRMVYPKRLH-UHFFFAOYSA-N 1 1 252.377 3.931 20 30 CHEDMO CCc1ccc(C[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001173244413 1132417622 /nfs/dbraw/zinc/41/76/22/1132417622.db2.gz VQQNDYWOKGNNAC-UDTPNQRGSA-N 1 1 282.431 3.947 20 30 CHEDMO C=CC[N@@H+](Cc1ccnc(C(F)(F)F)c1)C(C)(C)C ZINC001232243500 1132443111 /nfs/dbraw/zinc/44/31/11/1132443111.db2.gz MVMANASMWHEFBL-UHFFFAOYSA-N 1 1 272.314 3.887 20 30 CHEDMO C=CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C(C)(C)C ZINC001232263035 1132444694 /nfs/dbraw/zinc/44/46/94/1132444694.db2.gz CPSCLWCQHGSZEB-UHFFFAOYSA-N 1 1 269.772 3.538 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)c(C)s2)C1 ZINC001232293508 1132451354 /nfs/dbraw/zinc/45/13/54/1132451354.db2.gz KKVPKIYMBZIMGR-NSHDSACASA-N 1 1 298.249 3.664 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Br)c(C)s2)C1 ZINC001232293508 1132451356 /nfs/dbraw/zinc/45/13/56/1132451356.db2.gz KKVPKIYMBZIMGR-NSHDSACASA-N 1 1 298.249 3.664 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(OCC)nc1C ZINC001232311159 1132452621 /nfs/dbraw/zinc/45/26/21/1132452621.db2.gz SDYUADKUDIVREJ-UHFFFAOYSA-N 1 1 262.397 3.577 20 30 CHEDMO CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001173285310 1132455889 /nfs/dbraw/zinc/45/58/89/1132455889.db2.gz VTDHFHOJVPBYRU-HHXXYDBFSA-N 1 1 298.430 3.980 20 30 CHEDMO CCCCCCCCC[C@H](CCC)[NH2+][C@](N)(CC)CO ZINC001173285373 1132456283 /nfs/dbraw/zinc/45/62/83/1132456283.db2.gz TZGDYNXJZHTCDF-DLBZAZTESA-N 1 1 286.504 3.943 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(N)nc1C ZINC001232344567 1132458304 /nfs/dbraw/zinc/45/83/04/1132458304.db2.gz OJNCCNMKIXKTTB-UHFFFAOYSA-N 1 1 263.429 3.765 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001173323066 1132460714 /nfs/dbraw/zinc/46/07/14/1132460714.db2.gz BVLLBLOUAMJIIF-UHFFFAOYSA-N 1 1 293.451 3.535 20 30 CHEDMO C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331236 1132462666 /nfs/dbraw/zinc/46/26/66/1132462666.db2.gz AOCYTDBTGWLIKV-MUYFXNHWSA-N 1 1 299.462 3.556 20 30 CHEDMO C=CCOC1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001173327836 1132462683 /nfs/dbraw/zinc/46/26/83/1132462683.db2.gz TXXMZOZCWSPKIG-UHFFFAOYSA-N 1 1 277.433 3.620 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1)C1CCC(CC#N)CC1 ZINC001173332032 1132463363 /nfs/dbraw/zinc/46/33/63/1132463363.db2.gz JETXBQFWSYJAAZ-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO C[N@@H+](Cc1cccc(F)c1)C1CCC(CC#N)CC1 ZINC001173330954 1132463898 /nfs/dbraw/zinc/46/38/98/1132463898.db2.gz IEPKMBSGNUFUCP-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO N#CCC1CCC([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173331029 1132463965 /nfs/dbraw/zinc/46/39/65/1132463965.db2.gz JYJGPQCFWFMNMA-WXRRBKDZSA-N 1 1 274.330 3.528 20 30 CHEDMO N#CCC1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001173338730 1132465892 /nfs/dbraw/zinc/46/58/92/1132465892.db2.gz IPWSYEXFFGOLPK-UHFFFAOYSA-N 1 1 258.340 3.614 20 30 CHEDMO N#CCC1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001173339737 1132467337 /nfs/dbraw/zinc/46/73/37/1132467337.db2.gz RSQNWIBMPMFALB-PREGVCBESA-N 1 1 269.392 3.691 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@H]1C ZINC001142912242 1132476275 /nfs/dbraw/zinc/47/62/75/1132476275.db2.gz ZGKNGCUHQGAKLX-UONOGXRCSA-N 1 1 281.403 3.908 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926311 1132480959 /nfs/dbraw/zinc/48/09/59/1132480959.db2.gz OJVACWUCTMWHJS-KRWDZBQOSA-N 1 1 267.376 3.660 20 30 CHEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CC1(C)C ZINC001232609611 1132492195 /nfs/dbraw/zinc/49/21/95/1132492195.db2.gz MGDJTTWBQQFTHR-ZDUSSCGKSA-N 1 1 262.784 3.690 20 30 CHEDMO C[C@@H]1C(=O)CC[N@@H+](C2CCC(C)(C#N)CC2)C12CCCC2 ZINC001173597334 1132497896 /nfs/dbraw/zinc/49/78/96/1132497896.db2.gz PJCFVIBGYHZJDM-HPUBIQBYSA-N 1 1 288.435 3.683 20 30 CHEDMO C[N@@H+](Cc1cccc(F)c1)C1CCC(C)(C#N)CC1 ZINC001173593394 1132499047 /nfs/dbraw/zinc/49/90/47/1132499047.db2.gz INJSUOFCUCSBHD-UHFFFAOYSA-N 1 1 260.356 3.730 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCCc3ccccc3C2)CC1 ZINC001173599731 1132499723 /nfs/dbraw/zinc/49/97/23/1132499723.db2.gz 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CCCCCCC[C@@H](CCC)Oc1ncnc2c1C[NH2+]C2 ZINC001218355422 1135093352 /nfs/dbraw/zinc/09/33/52/1135093352.db2.gz OXKDPQUKHXPNPA-CQSZACIVSA-N 1 1 291.439 3.988 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000311194379 1135128075 /nfs/dbraw/zinc/12/80/75/1135128075.db2.gz FQPOVBNMAVBSHI-INIZCTEOSA-N 1 1 254.462 3.798 20 30 CHEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](C#N)c1ccccc1)C2 ZINC001223708269 1135372712 /nfs/dbraw/zinc/37/27/12/1135372712.db2.gz ASCOELIWTSWMRI-VSZNYVQBSA-N 1 1 284.403 3.672 20 30 CHEDMO C=C(C)CCCOC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001224281071 1135435495 /nfs/dbraw/zinc/43/54/95/1135435495.db2.gz GPZZOTASXPRXCQ-UHFFFAOYSA-N 1 1 274.408 3.732 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224702624 1135472688 /nfs/dbraw/zinc/47/26/88/1135472688.db2.gz NXCAJNSXCGOVPJ-ZACQAIPSSA-N 1 1 263.425 3.788 20 30 CHEDMO C#C[C@@H]1CCC[C@@H]1OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224823763 1135486238 /nfs/dbraw/zinc/48/62/38/1135486238.db2.gz GXHMUXAUVSZXTP-ZCNNSNEGSA-N 1 1 297.442 3.717 20 30 CHEDMO CCC#C[C@@H](C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826580 1135487432 /nfs/dbraw/zinc/48/74/32/1135487432.db2.gz QFDJATZPLALZNP-MJGOQNOKSA-N 1 1 285.431 3.717 20 30 CHEDMO C#C[C@H](CC(C)C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224825869 1135487435 /nfs/dbraw/zinc/48/74/35/1135487435.db2.gz MPOMPNDXOUKTIN-VQTJNVASSA-N 1 1 299.458 3.963 20 30 CHEDMO C=C[C@H](CC)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224832590 1135487447 /nfs/dbraw/zinc/48/74/47/1135487447.db2.gz VSRZCNYTNFYXJY-QZTJIDSGSA-N 1 1 273.420 3.880 20 30 CHEDMO C#C[C@H](CCCCC)OCCCCC(=[NH2+])OCC ZINC001224964263 1135497521 /nfs/dbraw/zinc/49/75/21/1135497521.db2.gz VJTJPJBRHPSPNX-CQSZACIVSA-N 1 1 253.386 3.769 20 30 CHEDMO CCCCCCCCCN1CCC2(CCC[NH2+]2)CC1 ZINC001226784004 1135741225 /nfs/dbraw/zinc/74/12/25/1135741225.db2.gz JCMUKWQDCMTCAM-UHFFFAOYSA-N 1 1 266.473 3.955 20 30 CHEDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001226923773 1135761621 /nfs/dbraw/zinc/76/16/21/1135761621.db2.gz ZSVFARZFJQFMGP-KRWDZBQOSA-N 1 1 292.382 3.520 20 30 CHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1nc(C#N)cs1 ZINC000356109556 529542364 /nfs/dbraw/zinc/54/23/64/529542364.db2.gz AHRCDHSMKROYKD-INIZCTEOSA-N 1 1 299.443 3.858 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1CCC(F)(F)CC1 ZINC000336573378 529993328 /nfs/dbraw/zinc/99/33/28/529993328.db2.gz GVFVIHBXWZCZQZ-UHFFFAOYSA-N 1 1 282.309 3.707 20 30 CHEDMO C[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356080266 530008209 /nfs/dbraw/zinc/00/82/09/530008209.db2.gz CLKKFNYXDFKKQH-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356080266 530008211 /nfs/dbraw/zinc/00/82/11/530008211.db2.gz CLKKFNYXDFKKQH-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000122872836 187057296 /nfs/dbraw/zinc/05/72/96/187057296.db2.gz CKPWNYUOZFABHO-AWEZNQCLSA-N 1 1 275.355 3.623 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1C(=O)OC)C1CCCCC1 ZINC001137791546 1131417151 /nfs/dbraw/zinc/41/71/51/1131417151.db2.gz JTSQUDOINMHLDU-UHFFFAOYSA-N 1 1 287.403 3.794 20 30 CHEDMO C=CC[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000116855299 260003081 /nfs/dbraw/zinc/00/30/81/260003081.db2.gz PSFUSVVLMXXJPT-HNNXBMFYSA-N 1 1 288.435 3.611 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000351322906 533512631 /nfs/dbraw/zinc/51/26/31/533512631.db2.gz DCVFCPWKCLGEHJ-DOTOQJQBSA-N 1 1 256.393 3.948 20 30 CHEDMO C[C@H](c1ccccc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341802274 130039668 /nfs/dbraw/zinc/03/96/68/130039668.db2.gz YPXWVXJESQNPNL-BEFAXECRSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@H](c1ccccc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341802274 130039670 /nfs/dbraw/zinc/03/96/70/130039670.db2.gz YPXWVXJESQNPNL-BEFAXECRSA-N 1 1 292.382 3.693 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000334582005 225015015 /nfs/dbraw/zinc/01/50/15/225015015.db2.gz LTOUGGFBXIUWJM-HUUCEWRRSA-N 1 1 284.403 3.510 20 30 CHEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[C@H](C#N)C1 ZINC000334770013 225315406 /nfs/dbraw/zinc/31/54/06/225315406.db2.gz BBKOCXFUSWPKQU-GJZGRUSLSA-N 1 1 269.392 3.699 20 30 CHEDMO Cc1[nH+]ccn1CCSc1ccc(C#N)cc1Cl ZINC000347735890 226232859 /nfs/dbraw/zinc/23/28/59/226232859.db2.gz KGLKEBVHUBCDCY-UHFFFAOYSA-N 1 1 277.780 3.509 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000336516149 227082238 /nfs/dbraw/zinc/08/22/38/227082238.db2.gz HVIZZROYXUWNHK-QGZVFWFLSA-N 1 1 296.345 3.570 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000356064444 228107356 /nfs/dbraw/zinc/10/73/56/228107356.db2.gz NXASOXLYRXFUCR-INIZCTEOSA-N 1 1 297.427 3.612 20 30 CHEDMO N#Cc1csc(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC000353084443 228038862 /nfs/dbraw/zinc/03/88/62/228038862.db2.gz SXIMQPSMFIGITJ-UHFFFAOYSA-N 1 1 255.346 3.504 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000352222685 228201016 /nfs/dbraw/zinc/20/10/16/228201016.db2.gz SBLYIZODFROLRV-KRWDZBQOSA-N 1 1 268.404 3.734 20 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290.451 3.740 20 30 CHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000119821185 260698038 /nfs/dbraw/zinc/69/80/38/260698038.db2.gz PAVYREBXWGQZDO-OAHLLOKOSA-N 1 1 259.397 3.794 20 30 CHEDMO CCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000318062807 260909586 /nfs/dbraw/zinc/90/95/86/260909586.db2.gz JFZRMJBZJUDUIF-KRWDZBQOSA-N 1 1 299.418 3.541 20 30 CHEDMO CC[N@H+](C[C@H](C)c1cc(F)cc(F)c1)C[C@H](C)C#N ZINC000449013077 261092989 /nfs/dbraw/zinc/09/29/89/261092989.db2.gz ATLFDVOAGNTOFN-NEPJUHHUSA-N 1 1 266.335 3.550 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)s1 ZINC000174844550 261199369 /nfs/dbraw/zinc/19/93/69/261199369.db2.gz XJRMTXMZAPODPC-UHFFFAOYSA-N 1 1 250.411 3.818 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000174880595 261201340 /nfs/dbraw/zinc/20/13/40/261201340.db2.gz OUXPFUQLNLRJKR-ZIAGYGMSSA-N 1 1 268.470 3.922 20 30 CHEDMO C=CC[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000177094411 261331393 /nfs/dbraw/zinc/33/13/93/261331393.db2.gz WXSJVNRPJKYWPN-UHFFFAOYSA-N 1 1 252.361 3.751 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000177268480 261344365 /nfs/dbraw/zinc/34/43/65/261344365.db2.gz FJXBJSVNACHWKF-UHFFFAOYSA-N 1 1 291.822 3.581 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177546232 261360467 /nfs/dbraw/zinc/36/04/67/261360467.db2.gz POIRDPRBCKSHRU-XYPHTWIQSA-N 1 1 254.377 3.741 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000364350511 262213153 /nfs/dbraw/zinc/21/31/53/262213153.db2.gz GOSJCSUEVXMOTR-KRWDZBQOSA-N 1 1 291.483 3.657 20 30 CHEDMO CC(C)(C#N)CCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000364350511 262213154 /nfs/dbraw/zinc/21/31/54/262213154.db2.gz GOSJCSUEVXMOTR-KRWDZBQOSA-N 1 1 291.483 3.657 20 30 CHEDMO C=CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000111256287 262258413 /nfs/dbraw/zinc/25/84/13/262258413.db2.gz WKUULVALZKUKEW-UHFFFAOYSA-N 1 1 274.389 3.801 20 30 CHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)C2(CCCCC2)C1 ZINC000365434559 262364866 /nfs/dbraw/zinc/36/48/66/262364866.db2.gz WCJYVUHGPYTGNB-UHFFFAOYSA-N 1 1 291.483 3.657 20 30 CHEDMO CC(C)(C#N)CCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000365442362 262365493 /nfs/dbraw/zinc/36/54/93/262365493.db2.gz JQLJGUPBXJWZCZ-KRWDZBQOSA-N 1 1 291.483 3.657 20 30 CHEDMO CC#CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000373421799 262368593 /nfs/dbraw/zinc/36/85/93/262368593.db2.gz JKPJXTFGUPFNBZ-OAHLLOKOSA-N 1 1 268.360 3.768 20 30 CHEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000339089536 262596156 /nfs/dbraw/zinc/59/61/56/262596156.db2.gz AEFPXFKRGJFNBH-QRVBRYPASA-N 1 1 298.430 3.575 20 30 CHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411715837 262704790 /nfs/dbraw/zinc/70/47/90/262704790.db2.gz DJBHVUQEMRMWGL-DLBZAZTESA-N 1 1 292.467 3.866 20 30 CHEDMO Cc1ccc2c(C)cc(N3CCC(C#N)CC3)[nH+]c2c1 ZINC000274079304 263021433 /nfs/dbraw/zinc/02/14/33/263021433.db2.gz QUOIBXWGAPSPNC-UHFFFAOYSA-N 1 1 265.360 3.592 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000276645613 263037574 /nfs/dbraw/zinc/03/75/74/263037574.db2.gz YEQQQONIHSJAOE-RKDXNWHRSA-N 1 1 291.342 3.895 20 30 CHEDMO CC[C@H]([NH2+][C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000276645612 263037709 /nfs/dbraw/zinc/03/77/09/263037709.db2.gz YEQQQONIHSJAOE-IUCAKERBSA-N 1 1 291.342 3.895 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000277673172 263042877 /nfs/dbraw/zinc/04/28/77/263042877.db2.gz KBQHXLFFYCMAHU-UHFFFAOYSA-N 1 1 274.383 3.904 20 30 CHEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000277810521 263043560 /nfs/dbraw/zinc/04/35/60/263043560.db2.gz UWXJHYQDXNKPHB-UHFFFAOYSA-N 1 1 281.831 3.830 20 30 CHEDMO Cc1ccc([C@H]2CC[N@@H+](CCCSCC#N)C2)c(C)c1 ZINC000280470763 263061892 /nfs/dbraw/zinc/06/18/92/263061892.db2.gz OYZBLWJGPMNUPO-INIZCTEOSA-N 1 1 288.460 3.740 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000281146781 263066871 /nfs/dbraw/zinc/06/68/71/263066871.db2.gz BCZYUYNNUAJLJJ-SJLPKXTDSA-N 1 1 298.430 3.780 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281966054 263073245 /nfs/dbraw/zinc/07/32/45/263073245.db2.gz KTHNPTHNCPXBFG-AWEZNQCLSA-N 1 1 292.448 3.841 20 30 CHEDMO C=CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282104872 263074582 /nfs/dbraw/zinc/07/45/82/263074582.db2.gz WHPSYMUOUGDIOB-UHFFFAOYSA-N 1 1 298.430 3.775 20 30 CHEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285551523 263094145 /nfs/dbraw/zinc/09/41/45/263094145.db2.gz UQIDEOXFWKEVTK-KZNAEPCWSA-N 1 1 268.404 3.948 20 30 CHEDMO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)C[C@H](C)C#N ZINC000290386145 263116409 /nfs/dbraw/zinc/11/64/09/263116409.db2.gz IZLLGZDHRDVVKG-YQCJOKCJSA-N 1 1 294.345 3.783 20 30 CHEDMO C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)C[C@H](C)C#N ZINC000290386145 263116410 /nfs/dbraw/zinc/11/64/10/263116410.db2.gz IZLLGZDHRDVVKG-YQCJOKCJSA-N 1 1 294.345 3.783 20 30 CHEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293374797 263139515 /nfs/dbraw/zinc/13/95/15/263139515.db2.gz FYVNEEACHFBFBJ-IEBWSBKVSA-N 1 1 297.446 3.801 20 30 CHEDMO N#CCCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450573 263155102 /nfs/dbraw/zinc/15/51/02/263155102.db2.gz NNOGPOFNBACNFW-QRVBRYPASA-N 1 1 297.446 3.638 20 30 CHEDMO N#CCCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450573 263155103 /nfs/dbraw/zinc/15/51/03/263155103.db2.gz NNOGPOFNBACNFW-QRVBRYPASA-N 1 1 297.446 3.638 20 30 CHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C2CC2)c1 ZINC000295097986 263172323 /nfs/dbraw/zinc/17/23/23/263172323.db2.gz BLWMJAYTGYOJBQ-KGLIPLIRSA-N 1 1 267.376 3.658 20 30 CHEDMO C[N@@H+](CCS[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000295126346 263172638 /nfs/dbraw/zinc/17/26/38/263172638.db2.gz BRGPFSGYGKMAJM-JKSUJKDBSA-N 1 1 274.433 3.544 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cccc(Br)c1 ZINC000298054010 263214900 /nfs/dbraw/zinc/21/49/00/263214900.db2.gz ICRAPBGYYZULDC-NSHDSACASA-N 1 1 281.197 3.573 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000298302415 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C=CCC[C@H]([NH2+]Cc1nccc(C)n1)c1ccccc1 ZINC000341936985 263367177 /nfs/dbraw/zinc/36/71/77/263367177.db2.gz ADTYJRIADLRTPP-INIZCTEOSA-N 1 1 267.376 3.582 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000072553261 264269025 /nfs/dbraw/zinc/26/90/25/264269025.db2.gz ZKUJOSBBWCXVJA-UHFFFAOYSA-N 1 1 291.782 3.788 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000072553261 264269030 /nfs/dbraw/zinc/26/90/30/264269030.db2.gz ZKUJOSBBWCXVJA-UHFFFAOYSA-N 1 1 291.782 3.788 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cncs1 ZINC000161502825 264288086 /nfs/dbraw/zinc/28/80/86/264288086.db2.gz VFFUECWRQDNFCF-GFCCVEGCSA-N 1 1 274.389 3.559 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000425478784 264348432 /nfs/dbraw/zinc/34/84/32/264348432.db2.gz NPPVKPVAJSWJAX-MRXNPFEDSA-N 1 1 279.387 3.684 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CC12CCC2 ZINC000357023690 266233639 /nfs/dbraw/zinc/23/36/39/266233639.db2.gz LNPNWOCOOARPLW-CYBMUJFWSA-N 1 1 272.367 3.709 20 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264.319 3.796 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000377111536 268048222 /nfs/dbraw/zinc/04/82/22/268048222.db2.gz ICPHBICSZNRNQQ-WMZOPIPTSA-N 1 1 290.451 3.599 20 30 CHEDMO Cn1c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2[nH+]c1C1CC1 ZINC000185890503 327850125 /nfs/dbraw/zinc/85/01/25/327850125.db2.gz ITAXZFDXRRFQLL-JSGCOSHPSA-N 1 1 294.402 3.945 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nc(C#N)cs2)CCCC1(C)C ZINC000356408091 328011929 /nfs/dbraw/zinc/01/19/29/328011929.db2.gz QLSWCFNDTXAPOV-CYBMUJFWSA-N 1 1 275.421 3.581 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2nc(C#N)cs2)CCCC1(C)C ZINC000356408091 328011930 /nfs/dbraw/zinc/01/19/30/328011930.db2.gz QLSWCFNDTXAPOV-CYBMUJFWSA-N 1 1 275.421 3.581 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](CCC)Cc1ccc(C)cc1 ZINC000531614270 328019356 /nfs/dbraw/zinc/01/93/56/328019356.db2.gz VCWXOIFRBHLYES-KRWDZBQOSA-N 1 1 261.409 3.534 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000160831833 328087858 /nfs/dbraw/zinc/08/78/58/328087858.db2.gz NCMFSNWKUQAWGF-ZDUSSCGKSA-N 1 1 298.361 3.899 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000160880722 328091150 /nfs/dbraw/zinc/09/11/50/328091150.db2.gz MEACAJQATJNZBJ-HOTGVXAUSA-N 1 1 292.423 3.803 20 30 CHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(C)(C)CCC#N ZINC000161165632 328138370 /nfs/dbraw/zinc/13/83/70/328138370.db2.gz MQIJVKPBIYVCTD-UHFFFAOYSA-N 1 1 294.826 3.981 20 30 CHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000266949000 328170754 /nfs/dbraw/zinc/17/07/54/328170754.db2.gz SXOKKIOUNHYMRO-NVXWUHKLSA-N 1 1 256.393 3.633 20 30 CHEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000267615169 328179628 /nfs/dbraw/zinc/17/96/28/328179628.db2.gz CEGGAUAPLZHJQO-INIZCTEOSA-N 1 1 292.423 4.000 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271185271 328195766 /nfs/dbraw/zinc/19/57/66/328195766.db2.gz NLGKEAISFQJYNA-AWEZNQCLSA-N 1 1 274.383 3.945 20 30 CHEDMO CCCC[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000289721218 328255970 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ZINC000344364752 327041048 /nfs/dbraw/zinc/04/10/48/327041048.db2.gz DACMHGOMKXQVRM-UHFFFAOYSA-N 1 1 274.364 3.699 20 30 CHEDMO C[N@@H+](CCCc1c(F)cccc1Cl)CC(C)(C)C#N ZINC000584175736 327058643 /nfs/dbraw/zinc/05/86/43/327058643.db2.gz JPBSYDCMPFFIMI-UHFFFAOYSA-N 1 1 282.790 3.893 20 30 CHEDMO C[N@@H+](CCCSCC#N)Cc1cccc2ccccc21 ZINC000074981846 327122655 /nfs/dbraw/zinc/12/26/55/327122655.db2.gz ICKFJXZXWWLSSN-UHFFFAOYSA-N 1 1 284.428 3.918 20 30 CHEDMO CC[N@@H+](CCCSCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000074982131 327122782 /nfs/dbraw/zinc/12/27/82/327122782.db2.gz NFWKGJCIFWEXLS-AWEZNQCLSA-N 1 1 292.448 3.725 20 30 CHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCSCC#N ZINC000074981956 327122824 /nfs/dbraw/zinc/12/28/24/327122824.db2.gz YDIVIYKKMUXYEG-LBPRGKRZSA-N 1 1 282.840 3.980 20 30 CHEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1c1ccccc1 ZINC000559105867 327141711 /nfs/dbraw/zinc/14/17/11/327141711.db2.gz IRHVUKPYDCDGOV-CYGHRXIMSA-N 1 1 268.404 3.804 20 30 CHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000533819664 327155145 /nfs/dbraw/zinc/15/51/45/327155145.db2.gz PDWWJNGNPNHSTC-QGZVFWFLSA-N 1 1 297.789 3.810 20 30 CHEDMO CC#CC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000569549250 327196754 /nfs/dbraw/zinc/19/67/54/327196754.db2.gz DPPLSEAYWWZDFT-KRWDZBQOSA-N 1 1 291.822 3.763 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000559411629 327244201 /nfs/dbraw/zinc/24/42/01/327244201.db2.gz SGRBOMAJISUQRM-CZUORRHYSA-N 1 1 254.377 3.741 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559431285 327245033 /nfs/dbraw/zinc/24/50/33/327245033.db2.gz AZZLDTJWMDGIHT-HZPDHXFCSA-N 1 1 284.403 3.577 20 30 CHEDMO CCC[C@@H](C)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000561249917 327379363 /nfs/dbraw/zinc/37/93/63/327379363.db2.gz DDSBDHQJLKJHMT-MRXNPFEDSA-N 1 1 285.435 3.507 20 30 CHEDMO CC(C)OC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000527384886 328693175 /nfs/dbraw/zinc/69/31/75/328693175.db2.gz SHHMRIKRQZTBHP-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000170954636 329072738 /nfs/dbraw/zinc/07/27/38/329072738.db2.gz UIELDCLEZLCOOU-CQSZACIVSA-N 1 1 262.356 3.678 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]2CCC[C@H]21 ZINC000393542598 329087454 /nfs/dbraw/zinc/08/74/54/329087454.db2.gz FNNCRSNPACNYDH-GDBMZVCRSA-N 1 1 272.367 3.708 20 30 CHEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000582683131 329127806 /nfs/dbraw/zinc/12/78/06/329127806.db2.gz MKVDUUZWZSPOHC-KRWDZBQOSA-N 1 1 268.404 3.553 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000174813275 329161475 /nfs/dbraw/zinc/16/14/75/329161475.db2.gz YXLKFJHBQSHFOC-UHFFFAOYSA-N 1 1 284.403 3.811 20 30 CHEDMO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000175992350 329173148 /nfs/dbraw/zinc/17/31/48/329173148.db2.gz DVNFNEDKASMIKL-NSHDSACASA-N 1 1 273.767 3.622 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000175992350 329173149 /nfs/dbraw/zinc/17/31/49/329173149.db2.gz 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ZINC000229751044 329357247 /nfs/dbraw/zinc/35/72/47/329357247.db2.gz FLXKWHSLMXGUME-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C=CC[NH+](CC=C)Cc1c2ccccc2oc1C(=O)OCC ZINC000572190515 329953567 /nfs/dbraw/zinc/95/35/67/329953567.db2.gz TYASJCDQMPMRRJ-UHFFFAOYSA-N 1 1 299.370 3.784 20 30 CHEDMO C=CCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000265818430 330063208 /nfs/dbraw/zinc/06/32/08/330063208.db2.gz RMNPNJFSLMHWHH-OAHLLOKOSA-N 1 1 283.375 3.840 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000572411886 330067157 /nfs/dbraw/zinc/06/71/57/330067157.db2.gz INLJOMQRBXPRAK-CQSZACIVSA-N 1 1 267.804 3.530 20 30 CHEDMO CC#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000572425960 330069904 /nfs/dbraw/zinc/06/99/04/330069904.db2.gz LSQQIUWKFFSIHK-BCDXTJNWSA-N 1 1 253.389 3.810 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnccc1C ZINC000269605330 330070234 /nfs/dbraw/zinc/07/02/34/330070234.db2.gz XAUABINQHGBAQR-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnccc1C ZINC000269605330 330070235 /nfs/dbraw/zinc/07/02/35/330070235.db2.gz XAUABINQHGBAQR-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000271023607 330077591 /nfs/dbraw/zinc/07/75/91/330077591.db2.gz JONHFJRKUMGALK-KRWDZBQOSA-N 1 1 281.403 3.607 20 30 CHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CC1 ZINC000271327798 330079314 /nfs/dbraw/zinc/07/93/14/330079314.db2.gz AGKXYIXFBPQUJR-UHFFFAOYSA-N 1 1 299.201 3.582 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CC1 ZINC000271327798 330079315 /nfs/dbraw/zinc/07/93/15/330079315.db2.gz AGKXYIXFBPQUJR-UHFFFAOYSA-N 1 1 299.201 3.582 20 30 CHEDMO C=CCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273375274 330090347 /nfs/dbraw/zinc/09/03/47/330090347.db2.gz CIQJKQWGFITELF-JKSUJKDBSA-N 1 1 263.356 3.554 20 30 CHEDMO C=CCC[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000276386661 330113039 /nfs/dbraw/zinc/11/30/39/330113039.db2.gz ITQWXMKBTNQXPW-UHFFFAOYSA-N 1 1 256.349 3.658 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nccn2C(F)F)CCCC1(C)C ZINC000277688857 330116611 /nfs/dbraw/zinc/11/66/11/330116611.db2.gz GWYFKNGBFSROOC-LBPRGKRZSA-N 1 1 283.366 3.845 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2nccn2C(F)F)CCCC1(C)C ZINC000277688857 330116613 /nfs/dbraw/zinc/11/66/13/330116613.db2.gz GWYFKNGBFSROOC-LBPRGKRZSA-N 1 1 283.366 3.845 20 30 CHEDMO Cc1cnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000433031689 330126643 /nfs/dbraw/zinc/12/66/43/330126643.db2.gz JASDXBHOLUBWBU-HNNXBMFYSA-N 1 1 269.348 3.508 20 30 CHEDMO Cc1cnc(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000433031690 330126781 /nfs/dbraw/zinc/12/67/81/330126781.db2.gz JASDXBHOLUBWBU-OAHLLOKOSA-N 1 1 269.348 3.508 20 30 CHEDMO C=C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034651 330166666 /nfs/dbraw/zinc/16/66/66/330166666.db2.gz XVOQDJGUCWSKAJ-CEXWTWQISA-N 1 1 284.447 3.600 20 30 CHEDMO C=CCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CCCC1 ZINC000423162564 330173836 /nfs/dbraw/zinc/17/38/36/330173836.db2.gz 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C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000491792973 332353294 /nfs/dbraw/zinc/35/32/94/332353294.db2.gz ITODZZYSUSUFIJ-UHFFFAOYSA-N 1 1 297.427 3.583 20 30 CHEDMO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(F)c(F)c1 ZINC000249803471 334340587 /nfs/dbraw/zinc/34/05/87/334340587.db2.gz AQSJIHFXFZTODD-WDEREUQCSA-N 1 1 252.308 3.507 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(F)c(F)c1 ZINC000249803471 334340588 /nfs/dbraw/zinc/34/05/88/334340588.db2.gz AQSJIHFXFZTODD-WDEREUQCSA-N 1 1 252.308 3.507 20 30 CHEDMO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000500414206 332607839 /nfs/dbraw/zinc/60/78/39/332607839.db2.gz GIOLKVRQXDAUAO-BDJLRTHQSA-N 1 1 286.762 3.830 20 30 CHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000307823426 333017512 /nfs/dbraw/zinc/01/75/12/333017512.db2.gz DLCHFLSHHVSUAA-CQSZACIVSA-N 1 1 260.356 3.565 20 30 CHEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000513454151 333020528 /nfs/dbraw/zinc/02/05/28/333020528.db2.gz 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CC[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000135397380 334128811 /nfs/dbraw/zinc/12/88/11/334128811.db2.gz IMURYIZAFMOXSY-INIZCTEOSA-N 1 1 272.392 3.721 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1F ZINC000135668269 334135615 /nfs/dbraw/zinc/13/56/15/334135615.db2.gz ZCECUKQROAIXLM-SECBINFHSA-N 1 1 278.327 3.749 20 30 CHEDMO C=CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000548731653 334167605 /nfs/dbraw/zinc/16/76/05/334167605.db2.gz YGCWLSDZNMKQAM-WFASDCNBSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000548731653 334167606 /nfs/dbraw/zinc/16/76/06/334167606.db2.gz YGCWLSDZNMKQAM-WFASDCNBSA-N 1 1 265.784 3.678 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](CC#Cc2ccccc2)CC1 ZINC000549159238 334186694 /nfs/dbraw/zinc/18/66/94/334186694.db2.gz FALBIACMLFEYMT-UHFFFAOYSA-N 1 1 277.367 3.811 20 30 CHEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000549158913 334186743 /nfs/dbraw/zinc/18/67/43/334186743.db2.gz FIWUEJSORIGKSZ-CQSZACIVSA-N 1 1 256.393 3.959 20 30 CHEDMO C=CCC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000549345760 334190512 /nfs/dbraw/zinc/19/05/12/334190512.db2.gz RPTUAIHETVLKAA-OAHLLOKOSA-N 1 1 274.408 3.610 20 30 CHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000549345324 334190623 /nfs/dbraw/zinc/19/06/23/334190623.db2.gz WSNZBTUMKZOCCY-HNNXBMFYSA-N 1 1 265.784 3.680 20 30 CHEDMO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550081861 334212708 /nfs/dbraw/zinc/21/27/08/334212708.db2.gz IOFZVXABUXGLLG-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550081861 334212710 /nfs/dbraw/zinc/21/27/10/334212710.db2.gz IOFZVXABUXGLLG-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000551406429 334249611 /nfs/dbraw/zinc/24/96/11/334249611.db2.gz LAZCXMVLHYFWLE-UHFFFAOYSA-N 1 1 262.784 3.976 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000246457672 334258533 /nfs/dbraw/zinc/25/85/33/334258533.db2.gz FPRBBUZIEHXHLD-FZKQIMNGSA-N 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NYOLELHYHALUAQ-HOTGVXAUSA-N 1 1 276.424 3.608 20 30 CHEDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249416306 334333559 /nfs/dbraw/zinc/33/35/59/334333559.db2.gz ZKYLHTKZXXRCKJ-CZUORRHYSA-N 1 1 274.433 3.693 20 30 CHEDMO CCCc1[nH+]ccn1CC#Cc1ccc(Cl)cc1 ZINC000153527357 334613072 /nfs/dbraw/zinc/61/30/72/334613072.db2.gz KIYHQNOVQGDNNS-UHFFFAOYSA-N 1 1 258.752 3.541 20 30 CHEDMO N#CCC[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000572953039 334894284 /nfs/dbraw/zinc/89/42/84/334894284.db2.gz XBTWTIWATRDMCC-UHFFFAOYSA-N 1 1 292.382 3.682 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000343538261 335208698 /nfs/dbraw/zinc/20/86/98/335208698.db2.gz TWTUZYUUKCQDLW-IRXDYDNUSA-N 1 1 254.377 3.517 20 30 CHEDMO C=CCCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000576671956 335233184 /nfs/dbraw/zinc/23/31/84/335233184.db2.gz UUTOKDXXZHUPMV-GUDVDZBRSA-N 1 1 285.431 3.847 20 30 CHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000576885478 335260611 /nfs/dbraw/zinc/26/06/11/335260611.db2.gz UEDHRLAZCUSECY-SFHVURJKSA-N 1 1 297.377 3.921 20 30 CHEDMO C=CCOCC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000577234302 335328014 /nfs/dbraw/zinc/32/80/14/335328014.db2.gz OQXAIAKNQUGACZ-QGZVFWFLSA-N 1 1 279.399 3.527 20 30 CHEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCC(C)(C)C#N ZINC000577283934 335335226 /nfs/dbraw/zinc/33/52/26/335335226.db2.gz KJJVHTWOJPETBM-QGZVFWFLSA-N 1 1 286.419 3.944 20 30 CHEDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000577409183 335349655 /nfs/dbraw/zinc/34/96/55/335349655.db2.gz RTBGOOMYSCUNHR-MAUKXSAKSA-N 1 1 291.398 3.812 20 30 CHEDMO CCCCCOc1cc(C[NH2+]C[C@H](C)C#N)ccc1OC ZINC000183820002 335907371 /nfs/dbraw/zinc/90/73/71/335907371.db2.gz MFOXIQMVESAOQR-CQSZACIVSA-N 1 1 290.407 3.513 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(C#N)cc1 ZINC000579855861 335910585 /nfs/dbraw/zinc/91/05/85/335910585.db2.gz HWKPIYFQOLMEOU-GFCCVEGCSA-N 1 1 295.773 3.934 20 30 CHEDMO COc1cc(C[N@H+](CCC#N)C(C)C)cc2ccccc21 ZINC000581231500 336028461 /nfs/dbraw/zinc/02/84/61/336028461.db2.gz JKLQETXTYDFBQA-UHFFFAOYSA-N 1 1 282.387 3.972 20 30 CHEDMO COc1cc(C[N@@H+](CCC#N)C(C)C)cc2ccccc21 ZINC000581231500 336028463 /nfs/dbraw/zinc/02/84/63/336028463.db2.gz JKLQETXTYDFBQA-UHFFFAOYSA-N 1 1 282.387 3.972 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1CCCC1 ZINC000195599714 336056946 /nfs/dbraw/zinc/05/69/46/336056946.db2.gz IZIAEAZANSSXEZ-UHFFFAOYSA-N 1 1 256.393 3.960 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000383384067 336108194 /nfs/dbraw/zinc/10/81/94/336108194.db2.gz HDLSAUGYJXXGSE-WDEREUQCSA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000383384067 336108196 /nfs/dbraw/zinc/10/81/96/336108196.db2.gz HDLSAUGYJXXGSE-WDEREUQCSA-N 1 1 293.208 3.551 20 30 CHEDMO N#Cc1ccc(OCC[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000385872027 336158204 /nfs/dbraw/zinc/15/82/04/336158204.db2.gz NEHCPRSFCGGORD-UHFFFAOYSA-N 1 1 284.403 3.593 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)cc(SC)c2)C1 ZINC001238682236 1131230350 /nfs/dbraw/zinc/23/03/50/1131230350.db2.gz NMXMUHIKOZWKIN-AWEZNQCLSA-N 1 1 259.418 3.562 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1ncnn1C(C)C)c1ccccc1 ZINC000279723225 518721298 /nfs/dbraw/zinc/72/12/98/518721298.db2.gz MEHYYHFMDPTTLR-INIZCTEOSA-N 1 1 284.407 3.656 20 30 CHEDMO Cc1cc[nH+]c(N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000346247645 534405742 /nfs/dbraw/zinc/40/57/42/534405742.db2.gz WBAUHAYEAWLOHN-MRXNPFEDSA-N 1 1 263.344 3.751 20 30 CHEDMO CC(C)n1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000337134974 519662697 /nfs/dbraw/zinc/66/26/97/519662697.db2.gz MAXQGNJXYOBWTI-UHFFFAOYSA-N 1 1 296.418 3.746 20 30 CHEDMO CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000076900875 519866489 /nfs/dbraw/zinc/86/64/89/519866489.db2.gz YRPOQBKSUUTGFD-GFCCVEGCSA-N 1 1 285.416 3.989 20 30 CHEDMO CC(C)n1nccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000279685319 520096637 /nfs/dbraw/zinc/09/66/37/520096637.db2.gz QGRCPHVRSGEJCF-UHFFFAOYSA-N 1 1 294.402 3.500 20 30 CHEDMO CC(C)n1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000279685319 520096642 /nfs/dbraw/zinc/09/66/42/520096642.db2.gz QGRCPHVRSGEJCF-UHFFFAOYSA-N 1 1 294.402 3.500 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340834101 521712064 /nfs/dbraw/zinc/71/20/64/521712064.db2.gz NXDKYBFWDZPJEB-GFCCVEGCSA-N 1 1 280.412 3.661 20 30 CHEDMO CC[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833104 522615719 /nfs/dbraw/zinc/61/57/19/522615719.db2.gz UFUJGPUGRXJIHX-HKUYNNGSSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833104 522615729 /nfs/dbraw/zinc/61/57/29/522615729.db2.gz UFUJGPUGRXJIHX-HKUYNNGSSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@H](Nc1cc(C)cc[nH+]1)c1ccc(C#N)cc1 ZINC000278846039 522763947 /nfs/dbraw/zinc/76/39/47/522763947.db2.gz VDDNCHSLEHYDLB-HNNXBMFYSA-N 1 1 251.333 3.825 20 30 CHEDMO C[N@H+]1CCCC[C@H]1CCSc1ccccc1C#N ZINC000340694985 523799131 /nfs/dbraw/zinc/79/91/31/523799131.db2.gz 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ZINC000352720995 526327725 /nfs/dbraw/zinc/32/77/25/526327725.db2.gz PSWRMAZNZVBREG-UHFFFAOYSA-N 1 1 299.399 3.515 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(SC)CC1 ZINC000347632272 526340399 /nfs/dbraw/zinc/34/03/99/526340399.db2.gz AMCSLIJHKJDUFO-UHFFFAOYSA-N 1 1 277.433 3.579 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000355071318 526358810 /nfs/dbraw/zinc/35/88/10/526358810.db2.gz QHCGFLOPNQSQMD-OAHLLOKOSA-N 1 1 252.361 3.831 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)CC1CC(OCC)C1 ZINC000352096765 526377963 /nfs/dbraw/zinc/37/79/63/526377963.db2.gz JSZUJUBKJWNNKB-UHFFFAOYSA-N 1 1 265.422 3.551 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1F ZINC000340895467 526704592 /nfs/dbraw/zinc/70/45/92/526704592.db2.gz IUSHVFMNKPTAFE-KRWDZBQOSA-N 1 1 280.346 3.514 20 30 CHEDMO C=CCOCCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000347967509 526747259 /nfs/dbraw/zinc/74/72/59/526747259.db2.gz IPOSLCGMVCCRNT-UHFFFAOYSA-N 1 1 251.414 3.622 20 30 CHEDMO C=CCOCCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000347968460 526748627 /nfs/dbraw/zinc/74/86/27/526748627.db2.gz KETIZJURDSTJIY-GFCCVEGCSA-N 1 1 269.335 3.550 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000347968460 526748631 /nfs/dbraw/zinc/74/86/31/526748631.db2.gz KETIZJURDSTJIY-GFCCVEGCSA-N 1 1 269.335 3.550 20 30 CHEDMO C=CCOCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000347970134 526749060 /nfs/dbraw/zinc/74/90/60/526749060.db2.gz LZTQFJIMVBUSAR-UHFFFAOYSA-N 1 1 281.346 3.522 20 30 CHEDMO C=C1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000353321432 526905449 /nfs/dbraw/zinc/90/54/49/526905449.db2.gz QIGDDMANGJBYGI-UHFFFAOYSA-N 1 1 251.757 3.501 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000352096791 526932105 /nfs/dbraw/zinc/93/21/05/526932105.db2.gz KCNMDHZWFSIZNC-MRXNPFEDSA-N 1 1 298.386 3.885 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000418100182 526952496 /nfs/dbraw/zinc/95/24/96/526952496.db2.gz OZFXNXNNXWWQGS-GOSISDBHSA-N 1 1 295.382 3.613 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2cncc(F)c2)CCCC1(C)C 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CC[N@H+](CCC#N)C/C(C)=C/c1ccccc1OC(F)F ZINC000356079874 528373904 /nfs/dbraw/zinc/37/39/04/528373904.db2.gz BWZVARPFYLRYNG-ACCUITESSA-N 1 1 294.345 3.927 20 30 CHEDMO CC[N@@H+](CCC#N)C/C(C)=C/c1ccccc1OC(F)F ZINC000356079874 528373906 /nfs/dbraw/zinc/37/39/06/528373906.db2.gz BWZVARPFYLRYNG-ACCUITESSA-N 1 1 294.345 3.927 20 30 CHEDMO CC[C@H](c1ccccc1)[N@H+](CC)Cc1nc(C#N)cs1 ZINC000356048327 529181444 /nfs/dbraw/zinc/18/14/44/529181444.db2.gz CEGBQULPHOKDTG-OAHLLOKOSA-N 1 1 285.416 3.988 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1nc(C#N)cs1 ZINC000356048327 529181445 /nfs/dbraw/zinc/18/14/45/529181445.db2.gz CEGBQULPHOKDTG-OAHLLOKOSA-N 1 1 285.416 3.988 20 30 CHEDMO CC(C)c1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC000341951396 535376813 /nfs/dbraw/zinc/37/68/13/535376813.db2.gz OORFPPKIHCHEDD-UHFFFAOYSA-N 1 1 257.362 3.750 20 30 CHEDMO C=CCCCCCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001209430734 1118051976 /nfs/dbraw/zinc/05/19/76/1118051976.db2.gz BOGIFHSIRWBFIJ-CVEARBPZSA-N 1 1 263.425 3.957 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001209445587 1118063589 /nfs/dbraw/zinc/06/35/89/1118063589.db2.gz LHNYJSIWPSDJHE-ZWKOTPCHSA-N 1 1 278.484 3.929 20 30 CHEDMO CC[N@@H+](CCC#N)C[C@@H](C)CSc1ccccc1C ZINC001167559189 1119042177 /nfs/dbraw/zinc/04/21/77/1119042177.db2.gz YUPGNSUADXLYPG-CQSZACIVSA-N 1 1 276.449 3.959 20 30 CHEDMO CC[N@@H+](Cc1ccc(CC(C)C)cc1)C[C@H](C)C#N ZINC000725795923 1119334996 /nfs/dbraw/zinc/33/49/96/1119334996.db2.gz YNFGQGKWUNVRTJ-OAHLLOKOSA-N 1 1 258.409 3.867 20 30 CHEDMO CC[N@H+](Cc1ccc(CC(C)C)cc1)C[C@H](C)C#N ZINC000725795923 1119335000 /nfs/dbraw/zinc/33/50/00/1119335000.db2.gz YNFGQGKWUNVRTJ-OAHLLOKOSA-N 1 1 258.409 3.867 20 30 CHEDMO N#CC1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000114709094 1125498609 /nfs/dbraw/zinc/49/86/09/1125498609.db2.gz CAKMWVITRAKVSN-UHFFFAOYSA-N 1 1 271.751 3.628 20 30 CHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCCC#N)C1(CC)CC ZINC000177404750 1120035947 /nfs/dbraw/zinc/03/59/47/1120035947.db2.gz PIVGGGXDDPOBTM-CABCVRRESA-N 1 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HCOONDFIBPMHEP-CQSZACIVSA-N 1 1 256.393 3.547 20 30 CHEDMO CCCCCCCCCOC(=O)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001194919984 1122821842 /nfs/dbraw/zinc/82/18/42/1122821842.db2.gz OWWYDGSEMWRNPV-MRXNPFEDSA-N 1 1 298.471 3.948 20 30 CHEDMO CSCC[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000440607634 1123021322 /nfs/dbraw/zinc/02/13/22/1123021322.db2.gz FQCFWZVSLNNJIA-CYBMUJFWSA-N 1 1 281.852 3.765 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000852688985 1123411727 /nfs/dbraw/zinc/41/17/27/1123411727.db2.gz PEXPPVCQAZQRRU-CQSZACIVSA-N 1 1 278.193 3.609 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859414341 1123696487 /nfs/dbraw/zinc/69/64/87/1123696487.db2.gz FYYRTJPEJPPKRM-AWEZNQCLSA-N 1 1 263.331 3.558 20 30 CHEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C1(C)C ZINC000444640528 1124048862 /nfs/dbraw/zinc/04/88/62/1124048862.db2.gz NPWIZTRANZPIHV-RHSMWYFYSA-N 1 1 280.456 3.842 20 30 CHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093361867 1124115852 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C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC#Cc1ccccc1 ZINC000483960006 1126805376 /nfs/dbraw/zinc/80/53/76/1126805376.db2.gz KURHVWJARHSTOF-NJAFHUGGSA-N 1 1 253.389 3.691 20 30 CHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483923112 1126805624 /nfs/dbraw/zinc/80/56/24/1126805624.db2.gz KQSZGBPIBPIOMG-IBGZPJMESA-N 1 1 294.373 3.861 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccccc1 ZINC000483926115 1126805746 /nfs/dbraw/zinc/80/57/46/1126805746.db2.gz JNFSLSKVBHZBQL-INIZCTEOSA-N 1 1 261.368 3.657 20 30 CHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000483923965 1126806129 /nfs/dbraw/zinc/80/61/29/1126806129.db2.gz FNKIASZPXSABJA-XLIONFOSSA-N 1 1 275.395 3.916 20 30 CHEDMO CC1CC[NH+](c2ccc(NCc3ccc(C#N)o3)cc2)CC1 ZINC000178814343 1126820602 /nfs/dbraw/zinc/82/06/02/1126820602.db2.gz YPRUTAKMIGQQHU-UHFFFAOYSA-N 1 1 295.386 4.000 20 30 CHEDMO CCC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)cc1 ZINC000179458663 1126827905 /nfs/dbraw/zinc/82/79/05/1126827905.db2.gz 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ZINC000192176938 1126958176 /nfs/dbraw/zinc/95/81/76/1126958176.db2.gz LNEMBFROBNIOAW-OAHLLOKOSA-N 1 1 270.401 3.544 20 30 CHEDMO CCc1ccc(C[N@H+](CCC#N)CC(C)C)s1 ZINC000043419651 1126973588 /nfs/dbraw/zinc/97/35/88/1126973588.db2.gz ZKVRLOAOQLMJNU-UHFFFAOYSA-N 1 1 250.411 3.682 20 30 CHEDMO CCc1ccc(C[N@@H+](CCC#N)CC(C)C)s1 ZINC000043419651 1126973590 /nfs/dbraw/zinc/97/35/90/1126973590.db2.gz ZKVRLOAOQLMJNU-UHFFFAOYSA-N 1 1 250.411 3.682 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000194406856 1126974787 /nfs/dbraw/zinc/97/47/87/1126974787.db2.gz YESHZDNWXPCBKR-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266589687 1126985083 /nfs/dbraw/zinc/98/50/83/1126985083.db2.gz LVAXMYFHQJIHIX-KYJSFNMBSA-N 1 1 284.403 3.742 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)s1 ZINC000129155724 1126991795 /nfs/dbraw/zinc/99/17/95/1126991795.db2.gz GEOWVRMULBWILJ-QMMMGPOBSA-N 1 1 287.226 3.711 20 30 CHEDMO Cc1cc(C[N@@H+](C)CCc2ccc(F)cc2)ccc1C#N ZINC000486747301 1126999460 /nfs/dbraw/zinc/99/94/60/1126999460.db2.gz STBSDNRPCDPQHZ-UHFFFAOYSA-N 1 1 282.362 3.680 20 30 CHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)c(C)c1 ZINC000486798383 1127003804 /nfs/dbraw/zinc/00/38/04/1127003804.db2.gz BTIDZUFWCZKBLM-UHFFFAOYSA-N 1 1 270.401 3.950 20 30 CHEDMO CC[N@@H+](CCCn1ccnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000269137071 1127035807 /nfs/dbraw/zinc/03/58/07/1127035807.db2.gz UIBLXWDCWOQYOT-HNNXBMFYSA-N 1 1 296.418 3.536 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000042267244 1127035945 /nfs/dbraw/zinc/03/59/45/1127035945.db2.gz AMNVZZIGXRMCQE-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000042267244 1127035949 /nfs/dbraw/zinc/03/59/49/1127035949.db2.gz AMNVZZIGXRMCQE-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO Cc1cc(F)ccc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000487979910 1127052199 /nfs/dbraw/zinc/05/21/99/1127052199.db2.gz JRJPIXKIRWKEER-UHFFFAOYSA-N 1 1 262.372 3.896 20 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1 1 256.393 3.672 20 30 CHEDMO C[N@@H+](CCC1CC1)Cc1ccc(C#N)c(Br)c1 ZINC001236862746 1131026104 /nfs/dbraw/zinc/02/61/04/1131026104.db2.gz XJDAJFYXKNAEES-UHFFFAOYSA-N 1 1 293.208 3.553 20 30 CHEDMO C=CCC(C)(C)c1noc(C[N@@H+](C)CCCCCC)n1 ZINC000815706007 1131020445 /nfs/dbraw/zinc/02/04/45/1131020445.db2.gz LZDAVEGRTVNSHM-UHFFFAOYSA-N 1 1 279.428 3.935 20 30 CHEDMO C=CCC(C)(C)c1noc(C[N@H+](C)CCCCCC)n1 ZINC000815706007 1131020451 /nfs/dbraw/zinc/02/04/51/1131020451.db2.gz LZDAVEGRTVNSHM-UHFFFAOYSA-N 1 1 279.428 3.935 20 30 CHEDMO Cc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001236854789 1131023364 /nfs/dbraw/zinc/02/33/64/1131023364.db2.gz YLLAVCMZDAOWFI-ZDUSSCGKSA-N 1 1 262.784 3.774 20 30 CHEDMO C=CC[N@H+](C)Cc1cccc2cc(Br)cnc21 ZINC001237136622 1131057076 /nfs/dbraw/zinc/05/70/76/1131057076.db2.gz QXJXGHDKQYPJPS-UHFFFAOYSA-N 1 1 291.192 3.615 20 30 CHEDMO C=CCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349376988 1127149033 /nfs/dbraw/zinc/14/90/33/1127149033.db2.gz WEAQGSXWTCSETE-HNNXBMFYSA-N 1 1 288.439 3.608 20 30 CHEDMO C=CCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349376988 1127149034 /nfs/dbraw/zinc/14/90/34/1127149034.db2.gz WEAQGSXWTCSETE-HNNXBMFYSA-N 1 1 288.439 3.608 20 30 CHEDMO C=CCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349376988 1127149037 /nfs/dbraw/zinc/14/90/37/1127149037.db2.gz WEAQGSXWTCSETE-HNNXBMFYSA-N 1 1 288.439 3.608 20 30 CHEDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000163968424 1127149143 /nfs/dbraw/zinc/14/91/43/1127149143.db2.gz UUBKLBYNMKIZEN-UHFFFAOYSA-N 1 1 280.371 3.513 20 30 CHEDMO C=CCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000588030193 1127171815 /nfs/dbraw/zinc/17/18/15/1127171815.db2.gz CYPUHZBONFIKER-HNNXBMFYSA-N 1 1 286.419 3.966 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000350091293 1127171950 /nfs/dbraw/zinc/17/19/50/1127171950.db2.gz ZFIREZVGYASLGF-UHFFFAOYSA-N 1 1 271.360 3.785 20 30 CHEDMO C=CC[N@@H+](Cc1cnc(-c2ccc(C)o2)s1)C1CC1 ZINC000350323134 1127177693 /nfs/dbraw/zinc/17/76/93/1127177693.db2.gz VRHGGHUPROKYCM-UHFFFAOYSA-N 1 1 274.389 3.862 20 30 CHEDMO C=CC[N@H+](Cc1cnc(-c2ccc(C)o2)s1)C1CC1 ZINC000350323134 1127177696 /nfs/dbraw/zinc/17/76/96/1127177696.db2.gz VRHGGHUPROKYCM-UHFFFAOYSA-N 1 1 274.389 3.862 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000351061627 1127184950 /nfs/dbraw/zinc/18/49/50/1127184950.db2.gz HCYRUUYEKBGSMI-RDJZCZTQSA-N 1 1 288.435 3.540 20 30 CHEDMO CCC(CC)[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000588977364 1127209442 /nfs/dbraw/zinc/20/94/42/1127209442.db2.gz XYRDYNWUTZQGIP-UHFFFAOYSA-N 1 1 260.381 3.577 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977783 1127209510 /nfs/dbraw/zinc/20/95/10/1127209510.db2.gz IVPKPXQKFKKROK-SUMWQHHRSA-N 1 1 254.377 3.741 20 30 CHEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)C#N ZINC000589174663 1127213403 /nfs/dbraw/zinc/21/34/03/1127213403.db2.gz IIPDSYZDXDNTPP-HUMZTAOYSA-N 1 1 282.309 3.858 20 30 CHEDMO CCC(CC)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000589336495 1127217978 /nfs/dbraw/zinc/21/79/78/1127217978.db2.gz LJXHCABDLVEVOH-RBUKOAKNSA-N 1 1 299.462 3.502 20 30 CHEDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589343980 1127218702 /nfs/dbraw/zinc/21/87/02/1127218702.db2.gz DIDYSKNAMIOVCZ-DNVCBOLYSA-N 1 1 299.462 3.646 20 30 CHEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589343980 1127218705 /nfs/dbraw/zinc/21/87/05/1127218705.db2.gz DIDYSKNAMIOVCZ-DNVCBOLYSA-N 1 1 299.462 3.646 20 30 CHEDMO C[N@@H+](CCNc1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000589563002 1127228752 /nfs/dbraw/zinc/22/87/52/1127228752.db2.gz MLUPTEZCIZUDCG-UHFFFAOYSA-N 1 1 293.361 3.513 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@]12CCN([C@@H](C)CC)C2=O ZINC001275110808 1127234682 /nfs/dbraw/zinc/23/46/82/1127234682.db2.gz FFUFLECWCZZJON-WMZOPIPTSA-N 1 1 294.483 3.822 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@@H](C)CC ZINC001275111975 1127236010 /nfs/dbraw/zinc/23/60/10/1127236010.db2.gz VHHUMWDQFHZTOK-GVDBMIGSSA-N 1 1 294.483 3.821 20 30 CHEDMO CCOC1CC(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000285848845 1127244538 /nfs/dbraw/zinc/24/45/38/1127244538.db2.gz CRUZIXRKTNIBBS-UHFFFAOYSA-N 1 1 286.419 3.584 20 30 CHEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000590119706 1127248601 /nfs/dbraw/zinc/24/86/01/1127248601.db2.gz MEDOMQTXPDUKCE-GOSISDBHSA-N 1 1 291.398 3.505 20 30 CHEDMO CSc1cccc(F)c1C[NH2+]Cc1cc(C#N)cs1 ZINC000352923512 1127251286 /nfs/dbraw/zinc/25/12/86/1127251286.db2.gz HNCMVGHZEYLHHJ-UHFFFAOYSA-N 1 1 292.404 3.771 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CC1CC(OCC)C1 ZINC000286091417 1127258033 /nfs/dbraw/zinc/25/80/33/1127258033.db2.gz UHGRWQWTPJLLNR-UHFFFAOYSA-N 1 1 273.420 3.532 20 30 CHEDMO C=CCC[C@@H](NC[C@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000286275073 1127263856 /nfs/dbraw/zinc/26/38/56/1127263856.db2.gz VNJBNIOESXGBKZ-HZPDHXFCSA-N 1 1 276.424 3.608 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600883 1127264668 /nfs/dbraw/zinc/26/46/68/1127264668.db2.gz OJKLLSWTCSVPLZ-QAPCUYQASA-N 1 1 291.398 3.894 20 30 CHEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)c(Cl)c1 ZINC001238086495 1131169265 /nfs/dbraw/zinc/16/92/65/1131169265.db2.gz HVOXRGYIZHBPNF-UHFFFAOYSA-N 1 1 274.795 3.978 20 30 CHEDMO COc1cccc2c1C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000590759945 1127270254 /nfs/dbraw/zinc/27/02/54/1127270254.db2.gz VVTCORRAGJSYKK-AWEZNQCLSA-N 1 1 292.382 3.686 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000590746892 1127270458 /nfs/dbraw/zinc/27/04/58/1127270458.db2.gz KZALIMFKPYDVGI-CLCXKQKWSA-N 1 1 291.398 3.720 20 30 CHEDMO C=CCCCCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000286908701 1127275669 /nfs/dbraw/zinc/27/56/69/1127275669.db2.gz DYVSVPMAOCZQRJ-INIZCTEOSA-N 1 1 284.407 3.620 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCC(F)(F)CC1 ZINC000286933057 1127275968 /nfs/dbraw/zinc/27/59/68/1127275968.db2.gz LJSJMYODTIIRSG-UHFFFAOYSA-N 1 1 282.309 3.707 20 30 CHEDMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353929577 1127279712 /nfs/dbraw/zinc/27/97/12/1127279712.db2.gz DDSKABFRGCHNOG-HZPDHXFCSA-N 1 1 297.427 3.723 20 30 CHEDMO Cc1ncsc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353929577 1127279715 /nfs/dbraw/zinc/27/97/15/1127279715.db2.gz DDSKABFRGCHNOG-HZPDHXFCSA-N 1 1 297.427 3.723 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000760804429 1127280554 /nfs/dbraw/zinc/28/05/54/1127280554.db2.gz LDBYNTMYDRERAW-MRXNPFEDSA-N 1 1 296.414 3.584 20 30 CHEDMO N#CC1(CC[N@@H+]2CCC[C@@H](OC(F)F)C2)CCCCC1 ZINC000591026210 1127284304 /nfs/dbraw/zinc/28/43/04/1127284304.db2.gz PBZNUYYEYAVBQY-CYBMUJFWSA-N 1 1 286.366 3.554 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000354032644 1127287845 /nfs/dbraw/zinc/28/78/45/1127287845.db2.gz CORMHNFHKLAZTE-HNNXBMFYSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000354032644 1127287848 /nfs/dbraw/zinc/28/78/48/1127287848.db2.gz CORMHNFHKLAZTE-HNNXBMFYSA-N 1 1 291.398 3.873 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061828 1127285741 /nfs/dbraw/zinc/28/57/41/1127285741.db2.gz JZIUSMUNHVUBEH-SUMWQHHRSA-N 1 1 254.377 3.741 20 30 CHEDMO C#CCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000760820431 1127294154 /nfs/dbraw/zinc/29/41/54/1127294154.db2.gz PSWNAPPTKJCSDH-UHFFFAOYSA-N 1 1 259.368 3.636 20 30 CHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000760818809 1127294929 /nfs/dbraw/zinc/29/49/29/1127294929.db2.gz PBIUXTJSDOVOTN-CQSZACIVSA-N 1 1 278.193 3.609 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000045796764 1127297356 /nfs/dbraw/zinc/29/73/56/1127297356.db2.gz WDPRBKATJXLRSS-UHFFFAOYSA-N 1 1 262.356 3.746 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC ZINC001275326620 1127308416 /nfs/dbraw/zinc/30/84/16/1127308416.db2.gz ZICNHZGNJCUEHM-IAGOWNOFSA-N 1 1 292.467 3.598 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN([C@H](C)CC)C2=O ZINC001275326590 1127308638 /nfs/dbraw/zinc/30/86/38/1127308638.db2.gz ZDGXTRLHMOKWLO-AEFFLSMTSA-N 1 1 292.467 3.598 20 30 CHEDMO CCC[N@@H+](Cc1ccncc1C#N)[C@H]1CCc2ccccc21 ZINC000592067945 1127334717 /nfs/dbraw/zinc/33/47/17/1127334717.db2.gz BMYPEDLEJAHKKH-IBGZPJMESA-N 1 1 291.398 3.853 20 30 CHEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000592125152 1127337130 /nfs/dbraw/zinc/33/71/30/1127337130.db2.gz RBXDKFDUYVRYFD-HOTGVXAUSA-N 1 1 271.408 3.600 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000592153892 1127338008 /nfs/dbraw/zinc/33/80/08/1127338008.db2.gz LIWLZOWALGWMDY-XUWVNRHRSA-N 1 1 260.425 3.827 20 30 CHEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000592154333 1127338531 /nfs/dbraw/zinc/33/85/31/1127338531.db2.gz PUZCPIZLBKTNOG-CABCVRRESA-N 1 1 280.481 3.781 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592184678 1127343753 /nfs/dbraw/zinc/34/37/53/1127343753.db2.gz RZBRQXCKUDEPDR-CABCVRRESA-N 1 1 284.403 3.510 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1cccc(C#N)c1 ZINC000592387583 1127346294 /nfs/dbraw/zinc/34/62/94/1127346294.db2.gz ULKVQVOTONQDPJ-KGLIPLIRSA-N 1 1 294.402 3.503 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](CC(C)(C)CCC#N)CC12CC=CC2 ZINC000592526037 1127353761 /nfs/dbraw/zinc/35/37/61/1127353761.db2.gz GAJMWVIYDQDBQQ-HNNXBMFYSA-N 1 1 260.425 3.993 20 30 CHEDMO C=CCc1cc(C[N@@H+](CC)CC2CCC2)cc(OC)c1O ZINC000355616382 1127354581 /nfs/dbraw/zinc/35/45/81/1127354581.db2.gz ZXNXCKFUHJTVCA-UHFFFAOYSA-N 1 1 289.419 3.751 20 30 CHEDMO N#Cc1cc(C[NH2+]C2(c3ccccc3Cl)CCC2)ccn1 ZINC000593039229 1127369040 /nfs/dbraw/zinc/36/90/40/1127369040.db2.gz CNJYKZTXIOARAS-UHFFFAOYSA-N 1 1 297.789 3.776 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC23CCCC3)c(OC(F)F)c1 ZINC000593038779 1127369440 /nfs/dbraw/zinc/36/94/40/1127369440.db2.gz KSAIYISHPXCMRI-UHFFFAOYSA-N 1 1 292.329 3.678 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccncc1C ZINC000574148231 1127371714 /nfs/dbraw/zinc/37/17/14/1127371714.db2.gz ZWIRPBIQDOXBJD-UHFFFAOYSA-N 1 1 266.388 3.968 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)C2CCC2)c1C ZINC000357018698 1127386553 /nfs/dbraw/zinc/38/65/53/1127386553.db2.gz AZDWODXNYFTJDD-AWEZNQCLSA-N 1 1 288.435 3.594 20 30 CHEDMO CC(C)Oc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593649947 1127392350 /nfs/dbraw/zinc/39/23/50/1127392350.db2.gz NGQBRLSDSOYNLZ-UHFFFAOYSA-N 1 1 272.392 3.647 20 30 CHEDMO CSc1ccc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593655123 1127393385 /nfs/dbraw/zinc/39/33/85/1127393385.db2.gz XEYUBARTYBDRPU-UHFFFAOYSA-N 1 1 266.435 3.644 20 30 CHEDMO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)c(Cl)c1 ZINC000593654395 1127393941 /nfs/dbraw/zinc/39/39/41/1127393941.db2.gz WVPYYVODHCKFQA-UHFFFAOYSA-N 1 1 262.784 3.822 20 30 CHEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000058907333 1127397632 /nfs/dbraw/zinc/39/76/32/1127397632.db2.gz DTYTWUHQAOHDLM-UHFFFAOYSA-N 1 1 284.790 3.886 20 30 CHEDMO N#CCC[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000594019471 1127405412 /nfs/dbraw/zinc/40/54/12/1127405412.db2.gz MLXIBGSTZXIKQE-UHFFFAOYSA-N 1 1 278.346 3.523 20 30 CHEDMO N#CCSCCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594055049 1127406359 /nfs/dbraw/zinc/40/63/59/1127406359.db2.gz YEUZEWCERGODHA-OAHLLOKOSA-N 1 1 266.454 3.678 20 30 CHEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nccs1 ZINC000594517601 1127420883 /nfs/dbraw/zinc/42/08/83/1127420883.db2.gz KMHUIIJBCVFMNX-LBPRGKRZSA-N 1 1 283.400 3.745 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(F)c1 ZINC000594717171 1127429007 /nfs/dbraw/zinc/42/90/07/1127429007.db2.gz HYDJYCNPOJLROG-ZDUSSCGKSA-N 1 1 260.356 3.950 20 30 CHEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000594710921 1127429114 /nfs/dbraw/zinc/42/91/14/1127429114.db2.gz JUQTVTMUWUDLOA-LBPRGKRZSA-N 1 1 256.374 3.807 20 30 CHEDMO CCc1nc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594925076 1127435424 /nfs/dbraw/zinc/43/54/24/1127435424.db2.gz PNQXGEXLXDQTBV-UHFFFAOYSA-N 1 1 297.427 3.550 20 30 CHEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594921406 1127435829 /nfs/dbraw/zinc/43/58/29/1127435829.db2.gz CPERRXSFQZNTRG-ZDUSSCGKSA-N 1 1 297.427 3.858 20 30 CHEDMO CCc1cnc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594930622 1127436178 /nfs/dbraw/zinc/43/61/78/1127436178.db2.gz XWBJWEDULPNTBA-UHFFFAOYSA-N 1 1 297.427 3.550 20 30 CHEDMO CC(C)C[N@@H+](CCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000358987467 1127442954 /nfs/dbraw/zinc/44/29/54/1127442954.db2.gz SVKTYUMRKUGKSU-UHFFFAOYSA-N 1 1 293.414 3.654 20 30 CHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCCCC1 ZINC000594994815 1127444571 /nfs/dbraw/zinc/44/45/71/1127444571.db2.gz MJBPHQHVIIIXFF-UHFFFAOYSA-N 1 1 294.402 3.640 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(Cl)cc2)CCCCC1 ZINC000594993150 1127444582 /nfs/dbraw/zinc/44/45/82/1127444582.db2.gz AABQPBMHLZZYOO-UHFFFAOYSA-N 1 1 262.784 3.904 20 30 CHEDMO CC(C)n1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000595089921 1127454320 /nfs/dbraw/zinc/45/43/20/1127454320.db2.gz AFFJTOLYZWZKOU-CQSZACIVSA-N 1 1 274.412 3.589 20 30 CHEDMO Cc1ncc([C@H](C)[NH2+]CC2(C#N)CCCCC2)s1 ZINC000595090498 1127454333 /nfs/dbraw/zinc/45/43/33/1127454333.db2.gz GSUGPHYHBDUKKG-NSHDSACASA-N 1 1 263.410 3.576 20 30 CHEDMO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cn1 ZINC000595091245 1127454828 /nfs/dbraw/zinc/45/48/28/1127454828.db2.gz ONYHOPBPOQJZLC-CQSZACIVSA-N 1 1 275.371 3.735 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000595294748 1127457027 /nfs/dbraw/zinc/45/70/27/1127457027.db2.gz DSJITFMYXQAACZ-KRWDZBQOSA-N 1 1 282.412 3.999 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CC=CC1 ZINC000595336509 1127458814 /nfs/dbraw/zinc/45/88/14/1127458814.db2.gz ZKGZMIOOLLFQIJ-ZWKOTPCHSA-N 1 1 266.388 3.724 20 30 CHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595334943 1127459110 /nfs/dbraw/zinc/45/91/10/1127459110.db2.gz BRUPDYIMSAWFCX-IBGZPJMESA-N 1 1 293.414 3.666 20 30 CHEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000595621391 1127468597 /nfs/dbraw/zinc/46/85/97/1127468597.db2.gz UFURIQGPYRLRGV-WBMJQRKESA-N 1 1 274.795 3.953 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595549077 1127466379 /nfs/dbraw/zinc/46/63/79/1127466379.db2.gz HACYUWQHEBBWJQ-QIJZBDPFSA-N 1 1 254.377 3.597 20 30 CHEDMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616735 1127467845 /nfs/dbraw/zinc/46/78/45/1127467845.db2.gz WQBPIWGVBWVYED-XJKSGUPXSA-N 1 1 260.356 3.902 20 30 CHEDMO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621632 1127468578 /nfs/dbraw/zinc/46/85/78/1127468578.db2.gz XCRBWHLPCLCTIY-CYBMUJFWSA-N 1 1 262.784 3.774 20 30 CHEDMO CC[C@@H](OCC[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595622881 1127468899 /nfs/dbraw/zinc/46/88/99/1127468899.db2.gz FHXZHAREMSKOGT-FUHWJXTLSA-N 1 1 286.419 3.780 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000595610403 1127470363 /nfs/dbraw/zinc/47/03/63/1127470363.db2.gz XWSIKAQVHSKQMR-MRXNPFEDSA-N 1 1 294.398 3.844 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000595611570 1127470383 /nfs/dbraw/zinc/47/03/83/1127470383.db2.gz LIDGYGDPWMKYGR-ZDUSSCGKSA-N 1 1 278.396 3.543 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613199 1127470448 /nfs/dbraw/zinc/47/04/48/1127470448.db2.gz ARSSHTZIXCBDGN-HNNXBMFYSA-N 1 1 281.403 3.613 20 30 CHEDMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595614324 1127470483 /nfs/dbraw/zinc/47/04/83/1127470483.db2.gz KGIRQCVTJVLFPO-OAHLLOKOSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)c1ccc2c(c1)C[N@H+](CCCCC#N)CC2 ZINC000595657538 1127472169 /nfs/dbraw/zinc/47/21/69/1127472169.db2.gz MVGXZFDCILPRBK-UHFFFAOYSA-N 1 1 256.393 3.862 20 30 CHEDMO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1F ZINC000595695994 1127472724 /nfs/dbraw/zinc/47/27/24/1127472724.db2.gz STCCUYXMTXHGPI-BBRMVZONSA-N 1 1 273.355 3.556 20 30 CHEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000595767087 1127474564 /nfs/dbraw/zinc/47/45/64/1127474564.db2.gz NAHOURFFWRRAQS-UHFFFAOYSA-N 1 1 274.383 3.978 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000595844054 1127478073 /nfs/dbraw/zinc/47/80/73/1127478073.db2.gz PRBNZZOYMXMNKG-WXRRBKDZSA-N 1 1 274.330 3.591 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858488 1127478135 /nfs/dbraw/zinc/47/81/35/1127478135.db2.gz WCDZTRLABVHZCS-IFWAZGHOSA-N 1 1 254.377 3.882 20 30 CHEDMO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000360391295 1127497866 /nfs/dbraw/zinc/49/78/66/1127497866.db2.gz XEWCAOOJKLEOJA-IAGOWNOFSA-N 1 1 286.419 3.573 20 30 CHEDMO CC(C)(C)OCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000360391295 1127497869 /nfs/dbraw/zinc/49/78/69/1127497869.db2.gz XEWCAOOJKLEOJA-IAGOWNOFSA-N 1 1 286.419 3.573 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)CCCc1ccncc1 ZINC000360453723 1127499898 /nfs/dbraw/zinc/49/98/98/1127499898.db2.gz FZCMLQDNLFZJHX-UHFFFAOYSA-N 1 1 273.424 3.666 20 30 CHEDMO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccon1 ZINC000360884134 1127518128 /nfs/dbraw/zinc/51/81/28/1127518128.db2.gz NPJFQLDKRAQJKJ-SJCJKPOMSA-N 1 1 281.359 3.665 20 30 CHEDMO C[N@H+]1CCC[C@H]1CCSc1cccc(Cl)c1C#N ZINC000360953713 1127523996 /nfs/dbraw/zinc/52/39/96/1127523996.db2.gz MRPTXGKDVOFIEN-NSHDSACASA-N 1 1 280.824 3.788 20 30 CHEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992257 1127524223 /nfs/dbraw/zinc/52/42/23/1127524223.db2.gz UHRBCJLCMAXWTQ-INIZCTEOSA-N 1 1 254.377 3.616 20 30 CHEDMO CCCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000596994542 1127524287 /nfs/dbraw/zinc/52/42/87/1127524287.db2.gz CPZXOPFXWFCVMP-AWEZNQCLSA-N 1 1 260.381 3.518 20 30 CHEDMO CCCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000596994542 1127524288 /nfs/dbraw/zinc/52/42/88/1127524288.db2.gz CPZXOPFXWFCVMP-AWEZNQCLSA-N 1 1 260.381 3.518 20 30 CHEDMO N#CC1(c2ccc(C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cc2)CC1 ZINC000597138565 1127529619 /nfs/dbraw/zinc/52/96/19/1127529619.db2.gz SSIUPHLXTFREFO-RBUKOAKNSA-N 1 1 292.426 3.862 20 30 CHEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597157692 1127530408 /nfs/dbraw/zinc/53/04/08/1127530408.db2.gz IAKFJWMHNSKIBG-KRWDZBQOSA-N 1 1 298.430 3.631 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000597174379 1127531204 /nfs/dbraw/zinc/53/12/04/1127531204.db2.gz PTWJYBRHWZCZGU-HNNXBMFYSA-N 1 1 284.403 3.601 20 30 CHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000597173607 1127531793 /nfs/dbraw/zinc/53/17/93/1127531793.db2.gz KXHIBCOPOLCXSH-IPYPFGDCSA-N 1 1 258.365 3.529 20 30 CHEDMO CCc1cccc(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176662 1127532095 /nfs/dbraw/zinc/53/20/95/1127532095.db2.gz JCRGOFZJXQXCTF-ZDUSSCGKSA-N 1 1 260.356 3.514 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597176700 1127532538 /nfs/dbraw/zinc/53/25/38/1127532538.db2.gz JIBPNZCYDGJXPD-QDOCKXBDSA-N 1 1 276.330 3.604 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597176700 1127532542 /nfs/dbraw/zinc/53/25/42/1127532542.db2.gz JIBPNZCYDGJXPD-QDOCKXBDSA-N 1 1 276.330 3.604 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000361144224 1127541550 /nfs/dbraw/zinc/54/15/50/1127541550.db2.gz YUOJNOMUZRGHKQ-SKDRFNHKSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000361144224 1127541551 /nfs/dbraw/zinc/54/15/51/1127541551.db2.gz YUOJNOMUZRGHKQ-SKDRFNHKSA-N 1 1 288.338 3.783 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC001308880776 1127550075 /nfs/dbraw/zinc/55/00/75/1127550075.db2.gz PRUAEIBASNABIF-ZDUSSCGKSA-N 1 1 281.321 3.859 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000602017880 1127557814 /nfs/dbraw/zinc/55/78/14/1127557814.db2.gz TZGNHQQUYFKPGX-HNNXBMFYSA-N 1 1 286.375 3.926 20 30 CHEDMO Cn1cc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1C#N ZINC000361605180 1127576458 /nfs/dbraw/zinc/57/64/58/1127576458.db2.gz XIZHKPPIAAYKTL-BBVFFXRHSA-N 1 1 291.398 3.575 20 30 CHEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000602450825 1127577998 /nfs/dbraw/zinc/57/79/98/1127577998.db2.gz ZDPMRBLKADYYKD-AEFFLSMTSA-N 1 1 286.419 3.607 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000602431736 1127578329 /nfs/dbraw/zinc/57/83/29/1127578329.db2.gz DRGTYNJJIRNZRY-NSHDSACASA-N 1 1 268.763 3.851 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000602432672 1127578807 /nfs/dbraw/zinc/57/88/07/1127578807.db2.gz JHTMDMUHYHRDIQ-GFCCVEGCSA-N 1 1 295.224 3.821 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1cccc(OC)c1 ZINC000602444088 1127579390 /nfs/dbraw/zinc/57/93/90/1127579390.db2.gz LMQRTQONXZPCRE-CQSZACIVSA-N 1 1 295.386 3.545 20 30 CHEDMO COCC[N@@H+](C[C@H](C)CCC#N)[C@H](C)c1ccccc1 ZINC000602443601 1127579530 /nfs/dbraw/zinc/57/95/30/1127579530.db2.gz GHALKWLJALAUQC-HZPDHXFCSA-N 1 1 274.408 3.636 20 30 CHEDMO COCC[N@@H+](C[C@@H](C)CCC#N)[C@@H](C)c1ccccc1 ZINC000602443600 1127579554 /nfs/dbraw/zinc/57/95/54/1127579554.db2.gz GHALKWLJALAUQC-HOTGVXAUSA-N 1 1 274.408 3.636 20 30 CHEDMO CC[N@@H+](Cc1cccc(F)c1N)[C@H](C)c1ccc(C#N)cc1 ZINC000602443744 1127579906 /nfs/dbraw/zinc/57/99/06/1127579906.db2.gz KWESWSQVVHKJSG-CYBMUJFWSA-N 1 1 297.377 3.863 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602476234 1127580864 /nfs/dbraw/zinc/58/08/64/1127580864.db2.gz XAAGWHXWZXIHHT-FZKQIMNGSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602476234 1127580865 /nfs/dbraw/zinc/58/08/65/1127580865.db2.gz XAAGWHXWZXIHHT-FZKQIMNGSA-N 1 1 295.361 3.675 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000602475745 1127582063 /nfs/dbraw/zinc/58/20/63/1127582063.db2.gz JVWJGRYWHLCAHZ-RDJZCZTQSA-N 1 1 256.393 3.590 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602465527 1127582974 /nfs/dbraw/zinc/58/29/74/1127582974.db2.gz ROIQMWFURMJBST-ZBFHGGJFSA-N 1 1 256.393 3.724 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H]1c1cccc(F)c1 ZINC000602483949 1127584808 /nfs/dbraw/zinc/58/48/08/1127584808.db2.gz KLBFXNWTHCWFMS-FZKQIMNGSA-N 1 1 295.361 3.675 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000602482718 1127585061 /nfs/dbraw/zinc/58/50/61/1127585061.db2.gz GHJMDKKTZFRKHP-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000602482718 1127585065 /nfs/dbraw/zinc/58/50/65/1127585065.db2.gz GHJMDKKTZFRKHP-SFHVURJKSA-N 1 1 295.361 3.820 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000602482654 1127585110 /nfs/dbraw/zinc/58/51/10/1127585110.db2.gz PFGMXPQNLRAHLG-QZTJIDSGSA-N 1 1 299.462 3.523 20 30 CHEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602514756 1127586988 /nfs/dbraw/zinc/58/69/88/1127586988.db2.gz QGOQYSVISYMZFV-AWEZNQCLSA-N 1 1 295.386 3.591 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000361765573 1127587706 /nfs/dbraw/zinc/58/77/06/1127587706.db2.gz KWIVGFQTBYXHAK-GUYCJALGSA-N 1 1 272.367 3.709 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361827077 1127592283 /nfs/dbraw/zinc/59/22/83/1127592283.db2.gz BOXNZLKOUZKTML-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361827077 1127592284 /nfs/dbraw/zinc/59/22/84/1127592284.db2.gz BOXNZLKOUZKTML-ZDUSSCGKSA-N 1 1 280.346 3.644 20 30 CHEDMO Cn1c2ccc(NC3CCC(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000602599079 1127595162 /nfs/dbraw/zinc/59/51/62/1127595162.db2.gz CKAKQDKZBNINTF-UHFFFAOYSA-N 1 1 294.402 3.945 20 30 CHEDMO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602635784 1127601431 /nfs/dbraw/zinc/60/14/31/1127601431.db2.gz BRTDDNULGJHUDS-ZBFHGGJFSA-N 1 1 258.409 3.798 20 30 CHEDMO C[C@H](CCC#N)CNc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000602605877 1127598674 /nfs/dbraw/zinc/59/86/74/1127598674.db2.gz UGFXVVJXNGCJRM-GFCCVEGCSA-N 1 1 282.391 3.802 20 30 CHEDMO COc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000602709984 1127607846 /nfs/dbraw/zinc/60/78/46/1127607846.db2.gz UFNVLGCQEXKBLR-CVEARBPZSA-N 1 1 286.419 3.999 20 30 CHEDMO CCC1([NH+]2CCCC2)CCN(CC(C)(C)CCC#N)CC1 ZINC000602731837 1127610937 /nfs/dbraw/zinc/61/09/37/1127610937.db2.gz BVRGMVTWEFQYSP-UHFFFAOYSA-N 1 1 291.483 3.657 20 30 CHEDMO Cc1ccc(C[N@@H+](CC2(CC#N)CC2)C(C)C)s1 ZINC000602765756 1127611394 /nfs/dbraw/zinc/61/13/94/1127611394.db2.gz ZKPLOPUTHBNAEW-UHFFFAOYSA-N 1 1 262.422 3.961 20 30 CHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602763830 1127611506 /nfs/dbraw/zinc/61/15/06/1127611506.db2.gz DUGYECYCPODVMG-INIZCTEOSA-N 1 1 254.377 3.826 20 30 CHEDMO N#CCC1(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000602763677 1127611556 /nfs/dbraw/zinc/61/15/56/1127611556.db2.gz CHFUATUNDOPHPF-INIZCTEOSA-N 1 1 272.367 3.526 20 30 CHEDMO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000602765728 1127611647 /nfs/dbraw/zinc/61/16/47/1127611647.db2.gz YRMPLDPMRNITJO-AWEZNQCLSA-N 1 1 272.392 3.772 20 30 CHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000295042066 1127615691 /nfs/dbraw/zinc/61/56/91/1127615691.db2.gz OVRISVSXVRHJIP-SMDDNHRTSA-N 1 1 282.309 3.721 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856859 1127617853 /nfs/dbraw/zinc/61/78/53/1127617853.db2.gz SINFHDHOQOXRIM-MRXNPFEDSA-N 1 1 271.408 3.591 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000362186971 1127618232 /nfs/dbraw/zinc/61/82/32/1127618232.db2.gz OZYLXNMPWNAMLK-UHFFFAOYSA-N 1 1 299.418 3.589 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000362186971 1127618233 /nfs/dbraw/zinc/61/82/33/1127618233.db2.gz OZYLXNMPWNAMLK-UHFFFAOYSA-N 1 1 299.418 3.589 20 30 CHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602775106 1127612867 /nfs/dbraw/zinc/61/28/67/1127612867.db2.gz IFEHUOJZALSPOM-INIZCTEOSA-N 1 1 284.403 3.916 20 30 CHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1(CC#N)CC1 ZINC000602777290 1127613563 /nfs/dbraw/zinc/61/35/63/1127613563.db2.gz CZGAJLAXAQIENT-HOCLYGCPSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1(CC#N)CC1 ZINC000602778680 1127613694 /nfs/dbraw/zinc/61/36/94/1127613694.db2.gz JYSAWXGPMTZZMC-UKRRQHHQSA-N 1 1 272.367 3.697 20 30 CHEDMO C[C@@H](CC#N)[NH2+]Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000602869630 1127618499 /nfs/dbraw/zinc/61/84/99/1127618499.db2.gz HAJVACVABLMJJI-QWRGUYRKSA-N 1 1 270.298 3.744 20 30 CHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000295100702 1127620254 /nfs/dbraw/zinc/62/02/54/1127620254.db2.gz UVENTJJVSKRTNC-FZMZJTMJSA-N 1 1 282.309 3.721 20 30 CHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)CCC)c1C ZINC000362229397 1127621162 /nfs/dbraw/zinc/62/11/62/1127621162.db2.gz QWIPGTNIGWTKJT-CYBMUJFWSA-N 1 1 276.424 3.594 20 30 CHEDMO CSc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981358 1127623983 /nfs/dbraw/zinc/62/39/83/1127623983.db2.gz BXALHWILJFMUBB-ZFWWWQNUSA-N 1 1 260.406 3.533 20 30 CHEDMO CSc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981358 1127623986 /nfs/dbraw/zinc/62/39/86/1127623986.db2.gz BXALHWILJFMUBB-ZFWWWQNUSA-N 1 1 260.406 3.533 20 30 CHEDMO CSc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981355 1127624147 /nfs/dbraw/zinc/62/41/47/1127624147.db2.gz BXALHWILJFMUBB-DZGCQCFKSA-N 1 1 260.406 3.533 20 30 CHEDMO CSc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981355 1127624148 /nfs/dbraw/zinc/62/41/48/1127624148.db2.gz BXALHWILJFMUBB-DZGCQCFKSA-N 1 1 260.406 3.533 20 30 CHEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c(C)c1 ZINC000598585592 1127626822 /nfs/dbraw/zinc/62/68/22/1127626822.db2.gz GOPARNMDHKEEAZ-JKSUJKDBSA-N 1 1 288.435 3.597 20 30 CHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000598588665 1127626945 /nfs/dbraw/zinc/62/69/45/1127626945.db2.gz APYYTMDCNUSQKJ-SJORKVTESA-N 1 1 292.467 3.722 20 30 CHEDMO CCCc1ccc(C[N@H+](CC)C[C@@H](C)C#N)s1 ZINC000598678259 1127631307 /nfs/dbraw/zinc/63/13/07/1127631307.db2.gz DPAIZHHFGJUJMF-LBPRGKRZSA-N 1 1 250.411 3.682 20 30 CHEDMO CCCc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)s1 ZINC000598678259 1127631310 /nfs/dbraw/zinc/63/13/10/1127631310.db2.gz DPAIZHHFGJUJMF-LBPRGKRZSA-N 1 1 250.411 3.682 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000362383765 1127631687 /nfs/dbraw/zinc/63/16/87/1127631687.db2.gz BFZBMJNBISBPHK-GJZGRUSLSA-N 1 1 292.423 3.803 20 30 CHEDMO Cc1cc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cnc1C#N ZINC000598931414 1127646302 /nfs/dbraw/zinc/64/63/02/1127646302.db2.gz RYOJRMUUSKSJCD-OAHLLOKOSA-N 1 1 291.398 3.913 20 30 CHEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)n1 ZINC000599046861 1127652817 /nfs/dbraw/zinc/65/28/17/1127652817.db2.gz SMVOGQUAYFGCDX-SNVBAGLBSA-N 1 1 291.807 3.827 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599057506 1127653927 /nfs/dbraw/zinc/65/39/27/1127653927.db2.gz FNWFNCMAXZVDPX-XQQFMLRXSA-N 1 1 278.346 3.842 20 30 CHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000362959442 1127655860 /nfs/dbraw/zinc/65/58/60/1127655860.db2.gz ZEJVDGCDKRYKCQ-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO C#C[C@H](CC)[NH2+]Cc1cccc(Cl)c1Br ZINC000719440824 1127663828 /nfs/dbraw/zinc/66/38/28/1127663828.db2.gz WBTYLQFBMUUIKL-SNVBAGLBSA-N 1 1 286.600 3.604 20 30 CHEDMO N#Cc1cccc2c1C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000593698828 1127661584 /nfs/dbraw/zinc/66/15/84/1127661584.db2.gz WNVSYUFNDIAWMM-QZTJIDSGSA-N 1 1 274.367 3.678 20 30 CHEDMO N#Cc1cccc2c1C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000593698828 1127661585 /nfs/dbraw/zinc/66/15/85/1127661585.db2.gz WNVSYUFNDIAWMM-QZTJIDSGSA-N 1 1 274.367 3.678 20 30 CHEDMO C[C@@H](Cc1ccccc1)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593697128 1127661588 /nfs/dbraw/zinc/66/15/88/1127661588.db2.gz LROSRJVSLUCYRE-HNNXBMFYSA-N 1 1 276.383 3.753 20 30 CHEDMO C[C@@H](Cc1ccccc1)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593697128 1127661591 /nfs/dbraw/zinc/66/15/91/1127661591.db2.gz LROSRJVSLUCYRE-HNNXBMFYSA-N 1 1 276.383 3.753 20 30 CHEDMO CCO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C1CC1 ZINC000599274248 1127665958 /nfs/dbraw/zinc/66/59/58/1127665958.db2.gz OQINRSGYSULHGV-GOSISDBHSA-N 1 1 286.419 3.584 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1C#N ZINC000599469113 1127673134 /nfs/dbraw/zinc/67/31/34/1127673134.db2.gz SPJHWHGEWXSZNI-HKUYNNGSSA-N 1 1 298.430 3.648 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516625 1127676772 /nfs/dbraw/zinc/67/67/72/1127676772.db2.gz WKTCHOWXKFTUQE-AWEZNQCLSA-N 1 1 278.346 3.838 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)C1(F)F ZINC000599514835 1127676787 /nfs/dbraw/zinc/67/67/87/1127676787.db2.gz LGAXSAIDAHGUDK-PHIMTYICSA-N 1 1 298.764 3.935 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)C1(F)F ZINC000599514835 1127676789 /nfs/dbraw/zinc/67/67/89/1127676789.db2.gz LGAXSAIDAHGUDK-PHIMTYICSA-N 1 1 298.764 3.935 20 30 CHEDMO C[C@@H](CNc1cccc(Cl)c1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000603857274 1127677488 /nfs/dbraw/zinc/67/74/88/1127677488.db2.gz HKQBHSSBJAMOJF-STQMWFEESA-N 1 1 291.826 3.744 20 30 CHEDMO C[C@H](CNc1cccc(Cl)c1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000603857268 1127677683 /nfs/dbraw/zinc/67/76/83/1127677683.db2.gz HKQBHSSBJAMOJF-CHWSQXEVSA-N 1 1 291.826 3.744 20 30 CHEDMO C[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599678279 1127686613 /nfs/dbraw/zinc/68/66/13/1127686613.db2.gz HJQQZBYGYDWGIA-INIZCTEOSA-N 1 1 290.410 3.914 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000604016806 1127689479 /nfs/dbraw/zinc/68/94/79/1127689479.db2.gz CVZVLCFZSYAFST-IBGZPJMESA-N 1 1 294.373 3.904 20 30 CHEDMO C=CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000297416611 1127696300 /nfs/dbraw/zinc/69/63/00/1127696300.db2.gz UKNDAZUZWDHEAP-MRXNPFEDSA-N 1 1 297.402 3.568 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1csc(CCCC)n1 ZINC000605740753 1127746729 /nfs/dbraw/zinc/74/67/29/1127746729.db2.gz YTMQICMEPBFKBX-UHFFFAOYSA-N 1 1 252.427 3.884 20 30 CHEDMO C=CCCC[N@H+](C)Cc1csc(CCCC)n1 ZINC000605740753 1127746732 /nfs/dbraw/zinc/74/67/32/1127746732.db2.gz YTMQICMEPBFKBX-UHFFFAOYSA-N 1 1 252.427 3.884 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC000593953974 1127752935 /nfs/dbraw/zinc/75/29/35/1127752935.db2.gz LWGBAFOLWZOJSN-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC000593953974 1127752939 /nfs/dbraw/zinc/75/29/39/1127752939.db2.gz LWGBAFOLWZOJSN-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000367973854 1127756084 /nfs/dbraw/zinc/75/60/84/1127756084.db2.gz QRYMPKJZYPPULQ-SUMWQHHRSA-N 1 1 284.403 3.598 20 30 CHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000368267529 1127757728 /nfs/dbraw/zinc/75/77/28/1127757728.db2.gz QCFDZSIOSHEYMX-QZWWFDLISA-N 1 1 292.467 3.578 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026132 1127770152 /nfs/dbraw/zinc/77/01/52/1127770152.db2.gz DHRRWUWPHSJEOM-KSSFIOAISA-N 1 1 284.403 3.653 20 30 CHEDMO N#CCCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000371548346 1127770407 /nfs/dbraw/zinc/77/04/07/1127770407.db2.gz 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CCC[N@@H+](C)C[C@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411310939 1127853053 /nfs/dbraw/zinc/85/30/53/1127853053.db2.gz VYNOJDNODLCPPH-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[NH+](C)C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411310939 1127853056 /nfs/dbraw/zinc/85/30/56/1127853056.db2.gz VYNOJDNODLCPPH-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@H+](C)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411310939 1127853061 /nfs/dbraw/zinc/85/30/61/1127853061.db2.gz VYNOJDNODLCPPH-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO CCC[N@@H+](C)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411310939 1127853064 /nfs/dbraw/zinc/85/30/64/1127853064.db2.gz VYNOJDNODLCPPH-QGZVFWFLSA-N 1 1 291.483 3.514 20 30 CHEDMO Cc1ccc(C(C)(C)C[N@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411288316 1127853371 /nfs/dbraw/zinc/85/33/71/1127853371.db2.gz CAYSMSLDKUDNHB-HNNXBMFYSA-N 1 1 258.409 3.897 20 30 CHEDMO CC(C)[N@@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063750325 1127864450 /nfs/dbraw/zinc/86/44/50/1127864450.db2.gz 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Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000375403361 1127943925 /nfs/dbraw/zinc/94/39/25/1127943925.db2.gz JSHJKQGTYBSVOG-MRXNPFEDSA-N 1 1 288.439 3.586 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000539836561 1127946427 /nfs/dbraw/zinc/94/64/27/1127946427.db2.gz NLRKWJVKBHNIKC-UHFFFAOYSA-N 1 1 269.335 3.729 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(OC)ccc2ccccc21 ZINC000467382780 1127966701 /nfs/dbraw/zinc/96/67/01/1127966701.db2.gz QCGYAUFHIISVSQ-UHFFFAOYSA-N 1 1 255.361 3.856 20 30 CHEDMO C=CCC[N@@H+](C)Cc1c(F)cccc1Br ZINC000467284967 1127962972 /nfs/dbraw/zinc/96/29/72/1127962972.db2.gz ALPWHTDGMPCLEC-UHFFFAOYSA-N 1 1 272.161 3.596 20 30 CHEDMO C=CCC[N@H+](C)Cc1c(F)cccc1Br ZINC000467284967 1127962975 /nfs/dbraw/zinc/96/29/75/1127962975.db2.gz ALPWHTDGMPCLEC-UHFFFAOYSA-N 1 1 272.161 3.596 20 30 CHEDMO C=CCCC[C@H](C)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000540296778 1127972773 /nfs/dbraw/zinc/97/27/73/1127972773.db2.gz CKHWJSYTIZAHJT-HOTGVXAUSA-N 1 1 252.446 3.537 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000540296778 1127972776 /nfs/dbraw/zinc/97/27/76/1127972776.db2.gz CKHWJSYTIZAHJT-HOTGVXAUSA-N 1 1 252.446 3.537 20 30 CHEDMO C[C@H](Cc1ccccc1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000544407907 1127972174 /nfs/dbraw/zinc/97/21/74/1127972174.db2.gz QPCLRPVZHYXIQT-MRXNPFEDSA-N 1 1 278.399 3.869 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256827091 1127979197 /nfs/dbraw/zinc/97/91/97/1127979197.db2.gz XBSCFJYKVAYMFH-IAGOWNOFSA-N 1 1 259.393 3.805 20 30 CHEDMO C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cccc(C#N)c1 ZINC000540607692 1127987038 /nfs/dbraw/zinc/98/70/38/1127987038.db2.gz URHCXLCEGIINLB-BZNIZROVSA-N 1 1 298.773 3.996 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1OC ZINC000507187189 1127992200 /nfs/dbraw/zinc/99/22/00/1127992200.db2.gz BHPFYPCVLNCSRC-CQSZACIVSA-N 1 1 277.408 3.736 20 30 CHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300257066 1127996982 /nfs/dbraw/zinc/99/69/82/1127996982.db2.gz LKQLJLPCGWAXAF-ZACQAIPSSA-N 1 1 265.441 3.748 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168436496 1127998238 /nfs/dbraw/zinc/99/82/38/1127998238.db2.gz DXTKIFPNFNLUQZ-IBGZPJMESA-N 1 1 294.373 3.687 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)OC)C(C)(C)C)cc1 ZINC000541072547 1128006731 /nfs/dbraw/zinc/00/67/31/1128006731.db2.gz MSNLTUQCKCPJOE-OAHLLOKOSA-N 1 1 291.435 3.887 20 30 CHEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000929666625 1128010223 /nfs/dbraw/zinc/01/02/23/1128010223.db2.gz CLWVZYASDQEGLX-HZPDHXFCSA-N 1 1 292.810 3.532 20 30 CHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)cs1 ZINC000468680937 1128015606 /nfs/dbraw/zinc/01/56/06/1128015606.db2.gz QKGWZLMNCVRKCR-INIZCTEOSA-N 1 1 282.412 3.957 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCc1cccc(F)c1F ZINC000541347885 1128019388 /nfs/dbraw/zinc/01/93/88/1128019388.db2.gz WBFVKLLUKQZDAQ-UHFFFAOYSA-N 1 1 280.362 3.769 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1cccc(F)c1F ZINC000541347885 1128019392 /nfs/dbraw/zinc/01/93/92/1128019392.db2.gz WBFVKLLUKQZDAQ-UHFFFAOYSA-N 1 1 280.362 3.769 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000245560743 1128033036 /nfs/dbraw/zinc/03/30/36/1128033036.db2.gz NESXMCKYSHCGSQ-ZNMIVQPWSA-N 1 1 272.392 3.598 20 30 CHEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541703697 1128034327 /nfs/dbraw/zinc/03/43/27/1128034327.db2.gz NKSSZHDLRWBUJB-SJORKVTESA-N 1 1 277.383 3.944 20 30 CHEDMO CCc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000469099285 1128034561 /nfs/dbraw/zinc/03/45/61/1128034561.db2.gz XVERZNCIULMOHC-UHFFFAOYSA-N 1 1 264.372 3.753 20 30 CHEDMO C=CCCC[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000541773421 1128038600 /nfs/dbraw/zinc/03/86/00/1128038600.db2.gz CJWFTIZEONDUSH-VOTSOKGWSA-N 1 1 251.320 3.876 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000929716201 1128049031 /nfs/dbraw/zinc/04/90/31/1128049031.db2.gz YADLOTSOBBFDFT-DNVCBOLYSA-N 1 1 291.398 3.579 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000542210167 1128057212 /nfs/dbraw/zinc/05/72/12/1128057212.db2.gz QCTXLLIUHKFBGO-FQEVSTJZSA-N 1 1 290.410 3.960 20 30 CHEDMO CC[N@@H+](CCc1ccc(C(C)C)cc1)C[C@H](C)C#N ZINC000469911279 1128058109 /nfs/dbraw/zinc/05/81/09/1128058109.db2.gz YLTLJRQKGMZCLH-OAHLLOKOSA-N 1 1 258.409 3.834 20 30 CHEDMO C=CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470000716 1128061451 /nfs/dbraw/zinc/06/14/51/1128061451.db2.gz SFIWVBJCIKDMPC-NSHDSACASA-N 1 1 272.175 3.633 20 30 CHEDMO C=CC[N@H+](CCCCCOC)CC1CCCCC1 ZINC000303421994 1128067563 /nfs/dbraw/zinc/06/75/63/1128067563.db2.gz AUYTXDLDFVYAET-UHFFFAOYSA-N 1 1 253.430 3.871 20 30 CHEDMO C=CCOCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000470778619 1128076796 /nfs/dbraw/zinc/07/67/96/1128076796.db2.gz GPETUHJLGTYNAU-GOSISDBHSA-N 1 1 273.420 3.849 20 30 CHEDMO C=CCOCCC[N@H+]1CCc2sccc2[C@H]1CC ZINC000470718813 1128074802 /nfs/dbraw/zinc/07/48/02/1128074802.db2.gz XWCHMZCOJDOPDG-CQSZACIVSA-N 1 1 265.422 3.650 20 30 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C=CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000628406683 1128856784 /nfs/dbraw/zinc/85/67/84/1128856784.db2.gz OOOAEHGPIHFKAF-LBPRGKRZSA-N 1 1 274.389 3.801 20 30 CHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O)cc1 ZINC000685443595 1119607805 /nfs/dbraw/zinc/60/78/05/1119607805.db2.gz PZHXXGHBOKKHQF-UHFFFAOYSA-N 1 1 299.418 3.748 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000685479569 1119612243 /nfs/dbraw/zinc/61/22/43/1119612243.db2.gz ZKFQESMPYUSLQK-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480576422 1119624360 /nfs/dbraw/zinc/62/43/60/1119624360.db2.gz JRUSIOBNYMDLBV-GFCCVEGCSA-N 1 1 262.784 3.690 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC000657909340 1119626754 /nfs/dbraw/zinc/62/67/54/1119626754.db2.gz PJPYSHISCACQNW-NVXWUHKLSA-N 1 1 264.457 3.584 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000657908924 1119627145 /nfs/dbraw/zinc/62/71/45/1119627145.db2.gz 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/nfs/dbraw/zinc/74/05/56/1119740556.db2.gz RLIUDBQUVMWNGA-INIZCTEOSA-N 1 1 292.810 3.735 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000612167613 1119740558 /nfs/dbraw/zinc/74/05/58/1119740558.db2.gz RLIUDBQUVMWNGA-INIZCTEOSA-N 1 1 292.810 3.735 20 30 CHEDMO Cc1ccccc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167325 1119740922 /nfs/dbraw/zinc/74/09/22/1119740922.db2.gz LSPGRGVUOAMKLC-KRWDZBQOSA-N 1 1 256.393 3.553 20 30 CHEDMO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406758 1119784358 /nfs/dbraw/zinc/78/43/58/1119784358.db2.gz SLZQNHPKUHVTHW-JMPLCFMRSA-N 1 1 254.377 3.716 20 30 CHEDMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406758 1119784362 /nfs/dbraw/zinc/78/43/62/1119784362.db2.gz SLZQNHPKUHVTHW-JMPLCFMRSA-N 1 1 254.377 3.716 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1csc(CC)n1 ZINC000065959547 1119796904 /nfs/dbraw/zinc/79/69/04/1119796904.db2.gz UZRFOYGLIODYTD-UHFFFAOYSA-N 1 1 286.444 3.936 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1csc(CC)n1 ZINC000065959547 1119796907 /nfs/dbraw/zinc/79/69/07/1119796907.db2.gz UZRFOYGLIODYTD-UHFFFAOYSA-N 1 1 286.444 3.936 20 30 CHEDMO C=CCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1Cl ZINC000612587909 1119803393 /nfs/dbraw/zinc/80/33/93/1119803393.db2.gz CDNUGQVWFRCSHE-UHFFFAOYSA-N 1 1 278.783 3.544 20 30 CHEDMO CCCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCC ZINC000612588052 1119803522 /nfs/dbraw/zinc/80/35/22/1119803522.db2.gz OGQVFHIWIKMOKO-UHFFFAOYSA-N 1 1 290.407 3.513 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000161729534 1119882489 /nfs/dbraw/zinc/88/24/89/1119882489.db2.gz WXGLUODLRSCKRY-SSDOTTSWSA-N 1 1 280.618 3.914 20 30 CHEDMO C=C[C@H](COC)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000309437058 1119941346 /nfs/dbraw/zinc/94/13/46/1119941346.db2.gz HONXCTUWKCOJOV-HTQZYQBOSA-N 1 1 280.220 3.907 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000628405186 1120009140 /nfs/dbraw/zinc/00/91/40/1120009140.db2.gz GBHHGOWDYWZXON-ZDUSSCGKSA-N 1 1 285.416 3.603 20 30 CHEDMO Cc1cc(C#N)ccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000186301037 1120017342 /nfs/dbraw/zinc/01/73/42/1120017342.db2.gz JHJSYMZFLMHMRE-UHFFFAOYSA-N 1 1 297.427 3.882 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001143479296 1120025532 /nfs/dbraw/zinc/02/55/32/1120025532.db2.gz UMZXLYFRXNVTLW-LBPRGKRZSA-N 1 1 297.320 3.559 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012595991 1120060154 /nfs/dbraw/zinc/06/01/54/1120060154.db2.gz CTEHEMPVYUGVTE-UHFFFAOYSA-N 1 1 291.782 3.788 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012595991 1120060158 /nfs/dbraw/zinc/06/01/58/1120060158.db2.gz CTEHEMPVYUGVTE-UHFFFAOYSA-N 1 1 291.782 3.788 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)[C@@H]1CCCO1 ZINC000903313169 1120082345 /nfs/dbraw/zinc/08/23/45/1120082345.db2.gz JMQFVWWCPULKDW-KGLIPLIRSA-N 1 1 292.423 3.576 20 30 CHEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000480698024 1120085011 /nfs/dbraw/zinc/08/50/11/1120085011.db2.gz AWEQEZYVIOZKNS-LLVKDONJSA-N 1 1 295.224 3.941 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000122269357 1120106847 /nfs/dbraw/zinc/10/68/47/1120106847.db2.gz JXDCMTOELSWTAC-LBPRGKRZSA-N 1 1 264.369 3.502 20 30 CHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1O ZINC000273533118 1120134331 /nfs/dbraw/zinc/13/43/31/1120134331.db2.gz WTAXJZNCYJAEHH-GFCCVEGCSA-N 1 1 296.345 3.743 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000472733327 1120156222 /nfs/dbraw/zinc/15/62/22/1120156222.db2.gz HQHKNQPSWMBZKI-IRXDYDNUSA-N 1 1 261.409 3.643 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000472761360 1120163680 /nfs/dbraw/zinc/16/36/80/1120163680.db2.gz DWDAMJVKVQPDEU-HZPDHXFCSA-N 1 1 261.409 3.623 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1F)CC(C)C ZINC000472760162 1120163821 /nfs/dbraw/zinc/16/38/21/1120163821.db2.gz RVQMEBLSZRPHNW-INIZCTEOSA-N 1 1 279.399 3.611 20 30 CHEDMO C[N@H+]1CC[C@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000302833157 1120163908 /nfs/dbraw/zinc/16/39/08/1120163908.db2.gz SAZZLABERFQQCL-ROUUACIJSA-N 1 1 295.361 3.555 20 30 CHEDMO C[N@H+]1CC[C@@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000302833154 1120164356 /nfs/dbraw/zinc/16/43/56/1120164356.db2.gz SAZZLABERFQQCL-MSOLQXFVSA-N 1 1 295.361 3.555 20 30 CHEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCC#N)o1 ZINC000174446884 1120169389 /nfs/dbraw/zinc/16/93/89/1120169389.db2.gz WVXKTSKEPNRWHB-DZGCQCFKSA-N 1 1 260.381 3.919 20 30 CHEDMO C=CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000303671195 1120178660 /nfs/dbraw/zinc/17/86/60/1120178660.db2.gz PDLPWBZAQIYVQA-CYBMUJFWSA-N 1 1 253.798 3.616 20 30 CHEDMO C=CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000303671195 1120178667 /nfs/dbraw/zinc/17/86/67/1120178667.db2.gz PDLPWBZAQIYVQA-CYBMUJFWSA-N 1 1 253.798 3.616 20 30 CHEDMO C[N@H+](CCCCC1(C#N)CCC1)c1ccc(N)cc1 ZINC000903771116 1120183158 /nfs/dbraw/zinc/18/31/58/1120183158.db2.gz OIXTXYBNNYQKAQ-UHFFFAOYSA-N 1 1 257.381 3.569 20 30 CHEDMO C[N@@H+](CCCCC1(C#N)CCC1)c1ccc(N)cc1 ZINC000903771116 1120183162 /nfs/dbraw/zinc/18/31/62/1120183162.db2.gz OIXTXYBNNYQKAQ-UHFFFAOYSA-N 1 1 257.381 3.569 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000480782691 1120195031 /nfs/dbraw/zinc/19/50/31/1120195031.db2.gz WSBKZURAUWUVIW-INIZCTEOSA-N 1 1 274.795 3.976 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2)ccc1C#N ZINC000362963537 1120197689 /nfs/dbraw/zinc/19/76/89/1120197689.db2.gz NJKQNXGKLFYWLQ-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC#N)CC1 ZINC000542883550 1120228360 /nfs/dbraw/zinc/22/83/60/1120228360.db2.gz OHPNHSJWCKEQAA-GFCCVEGCSA-N 1 1 275.396 3.659 20 30 CHEDMO CN(C)c1ccccc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930503629 1120242438 /nfs/dbraw/zinc/24/24/38/1120242438.db2.gz QKFOMNAKLZCVIK-UHFFFAOYSA-N 1 1 285.435 3.514 20 30 CHEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481057070 1120259830 /nfs/dbraw/zinc/25/98/30/1120259830.db2.gz MVKQYWVRIRRESO-GHMZBOCLSA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763680 1128902825 /nfs/dbraw/zinc/90/28/25/1128902825.db2.gz ARQXOPVLXQKVPP-WMLDXEAASA-N 1 1 287.451 3.575 20 30 CHEDMO C=CCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542948376 1120275692 /nfs/dbraw/zinc/27/56/92/1120275692.db2.gz YBEPFPOFKGVEIY-CQSZACIVSA-N 1 1 285.309 3.655 20 30 CHEDMO C=CCCC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000076170855 1120278114 /nfs/dbraw/zinc/27/81/14/1120278114.db2.gz XXSYFDCGVNCRBN-UHFFFAOYSA-N 1 1 286.419 3.953 20 30 CHEDMO C[N@@H+](Cc1cccc2ccccc21)C[C@H](C#N)CCC#N ZINC000076512884 1120285360 /nfs/dbraw/zinc/28/53/60/1120285360.db2.gz IEPXGVNKWVKGIA-HNNXBMFYSA-N 1 1 277.371 3.715 20 30 CHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@H](C#N)CCC#N ZINC000076512884 1120285363 /nfs/dbraw/zinc/28/53/63/1120285363.db2.gz IEPXGVNKWVKGIA-HNNXBMFYSA-N 1 1 277.371 3.715 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCCC2)O1 ZINC000467199601 1120319205 /nfs/dbraw/zinc/31/92/05/1120319205.db2.gz CCXMZPBLCGCJQY-GOSISDBHSA-N 1 1 298.430 3.872 20 30 CHEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000541392077 1120320026 /nfs/dbraw/zinc/32/00/26/1120320026.db2.gz DXQCMSMGZHMYQN-KRWDZBQOSA-N 1 1 294.373 3.995 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@H]2C(C)C)ccc1C#N ZINC001238768185 1131243756 /nfs/dbraw/zinc/24/37/56/1131243756.db2.gz GUCLAXOGEWFSBX-KRWDZBQOSA-N 1 1 256.393 3.741 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001141096687 1120346067 /nfs/dbraw/zinc/34/60/67/1120346067.db2.gz OCOKRLIPTFYELN-CYBMUJFWSA-N 1 1 268.385 3.761 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001141096687 1120346071 /nfs/dbraw/zinc/34/60/71/1120346071.db2.gz OCOKRLIPTFYELN-CYBMUJFWSA-N 1 1 268.385 3.761 20 30 CHEDMO CC(C)(C)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000499593618 1120347802 /nfs/dbraw/zinc/34/78/02/1120347802.db2.gz RRGLBQHKMSKYNQ-KRWDZBQOSA-N 1 1 286.419 3.758 20 30 CHEDMO CC(C)(C)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000499593618 1120347808 /nfs/dbraw/zinc/34/78/08/1120347808.db2.gz RRGLBQHKMSKYNQ-KRWDZBQOSA-N 1 1 286.419 3.758 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)ccc1C#N ZINC001238766189 1131243731 /nfs/dbraw/zinc/24/37/31/1131243731.db2.gz JCAANVOGAQZFFP-IBGZPJMESA-N 1 1 291.398 3.853 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@@H]21 ZINC000499625360 1120366541 /nfs/dbraw/zinc/36/65/41/1120366541.db2.gz KXLHLPIZDDGEKX-BRWVUGGUSA-N 1 1 290.451 3.597 20 30 CHEDMO N#Cc1cc(CNc2cccc(C3CC3)[nH+]2)cs1 ZINC000922146523 1120386252 /nfs/dbraw/zinc/38/62/52/1120386252.db2.gz SEEGBNMUINRLKQ-UHFFFAOYSA-N 1 1 255.346 3.504 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000544116653 1120390670 /nfs/dbraw/zinc/39/06/70/1120390670.db2.gz DUOGPIXXPJFMGG-UONOGXRCSA-N 1 1 256.393 3.987 20 30 CHEDMO C[C@H](C#N)C[N@@H+]([C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000543092961 1120412868 /nfs/dbraw/zinc/41/28/68/1120412868.db2.gz ITKBFOZJJBSZPB-KGLIPLIRSA-N 1 1 274.383 3.771 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253087709 1128915158 /nfs/dbraw/zinc/91/51/58/1128915158.db2.gz DKMFTAIMPUPYBH-ZACQAIPSSA-N 1 1 292.467 3.722 20 30 CHEDMO C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000314917605 1120445718 /nfs/dbraw/zinc/44/57/18/1120445718.db2.gz MQZULGGJAKFLCX-JTDSTZFVSA-N 1 1 299.462 3.719 20 30 CHEDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000364144231 1120454403 /nfs/dbraw/zinc/45/44/03/1120454403.db2.gz ZKJFXNXAXHJQQD-RDJZCZTQSA-N 1 1 286.419 3.758 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001141191199 1120461278 /nfs/dbraw/zinc/46/12/78/1120461278.db2.gz CGARHABUEJVFSW-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001141191199 1120461282 /nfs/dbraw/zinc/46/12/82/1120461282.db2.gz CGARHABUEJVFSW-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO CC1(C)C[C@@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925616283 1120470571 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C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1NCCC2 ZINC000893931808 1121441489 /nfs/dbraw/zinc/44/14/89/1121441489.db2.gz SPIYRWIAKBXSFU-UHFFFAOYSA-N 1 1 291.398 3.548 20 30 CHEDMO Cc1ncoc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000893957902 1121446145 /nfs/dbraw/zinc/44/61/45/1121446145.db2.gz KGLRWFLTQCLQRH-UHFFFAOYSA-N 1 1 283.375 3.513 20 30 CHEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCCC#N ZINC000932279199 1121446833 /nfs/dbraw/zinc/44/68/33/1121446833.db2.gz WDCJAQUQVUZGEV-WBVHZDCISA-N 1 1 256.393 3.948 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000843423943 1121480250 /nfs/dbraw/zinc/48/02/50/1121480250.db2.gz MDQULIWAEKKXFT-GFCCVEGCSA-N 1 1 299.386 3.971 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000843424512 1121481543 /nfs/dbraw/zinc/48/15/43/1121481543.db2.gz VGPJDPMGZVXWND-NXHRZFHOSA-N 1 1 253.389 3.525 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000614174229 1121503402 /nfs/dbraw/zinc/50/34/02/1121503402.db2.gz HIEKEZUXGUBABP-UHFFFAOYSA-N 1 1 298.430 3.633 20 30 CHEDMO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512636339 1121504030 /nfs/dbraw/zinc/50/40/30/1121504030.db2.gz LDEHXTCRDLVNNM-ZDUSSCGKSA-N 1 1 298.361 3.865 20 30 CHEDMO CC1=CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614176860 1121506129 /nfs/dbraw/zinc/50/61/29/1121506129.db2.gz AHMFYOSOKWPZGX-UHFFFAOYSA-N 1 1 254.377 3.640 20 30 CHEDMO C#Cc1cccc(Nc2cccn3c(C)c(C)[nH+]c23)c1 ZINC001175974192 1121509727 /nfs/dbraw/zinc/50/97/27/1121509727.db2.gz QQKWYOLFYVCWEV-UHFFFAOYSA-N 1 1 261.328 3.676 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc(OC)c1O ZINC000433042328 1121531098 /nfs/dbraw/zinc/53/10/98/1121531098.db2.gz FYDOMXVHLQABIO-XJKSGUPXSA-N 1 1 289.419 3.750 20 30 CHEDMO C=C(C)CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000509332150 1121532848 /nfs/dbraw/zinc/53/28/48/1121532848.db2.gz RLRLNZAPMLJXTR-UHFFFAOYSA-N 1 1 273.420 3.760 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000411192616 1121534331 /nfs/dbraw/zinc/53/43/31/1121534331.db2.gz DMEFBJXCSWJVSR-HNNXBMFYSA-N 1 1 299.418 3.985 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000411192616 1121534338 /nfs/dbraw/zinc/53/43/38/1121534338.db2.gz DMEFBJXCSWJVSR-HNNXBMFYSA-N 1 1 299.418 3.985 20 30 CHEDMO C=CCC1([NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC000625936411 1121554129 /nfs/dbraw/zinc/55/41/29/1121554129.db2.gz LCTLOWFMXGLEIP-UHFFFAOYSA-N 1 1 263.385 3.562 20 30 CHEDMO CCN1CC[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576919 /nfs/dbraw/zinc/57/69/19/1121576919.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 1 1 291.483 3.513 20 30 CHEDMO CCN1CC[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576923 /nfs/dbraw/zinc/57/69/23/1121576923.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 1 1 291.483 3.513 20 30 CHEDMO CC[N@@H+]1CC[C@@H](N(C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576926 /nfs/dbraw/zinc/57/69/26/1121576926.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 1 1 291.483 3.513 20 30 CHEDMO CC[N@H+]1CC[C@@H](N(C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576932 /nfs/dbraw/zinc/57/69/32/1121576932.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 1 1 291.483 3.513 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)c1cccc(Br)c1 ZINC000509782659 1121578170 /nfs/dbraw/zinc/57/81/70/1121578170.db2.gz MHXFZWSGMWJMRU-VXGBXAGGSA-N 1 1 295.224 3.644 20 30 CHEDMO N#CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000411453885 1121589395 /nfs/dbraw/zinc/58/93/95/1121589395.db2.gz KCDDLKPBJHSBIG-AWEZNQCLSA-N 1 1 293.208 3.794 20 30 CHEDMO CC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000051923643 1121602416 /nfs/dbraw/zinc/60/24/16/1121602416.db2.gz KOYKMIHSYSEFRY-UHFFFAOYSA-N 1 1 264.372 3.623 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000611254268 1121632373 /nfs/dbraw/zinc/63/23/73/1121632373.db2.gz KJZKXLFJXWAKLT-UHFFFAOYSA-N 1 1 272.373 3.686 20 30 CHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)o1 ZINC000611254268 1121632378 /nfs/dbraw/zinc/63/23/78/1121632378.db2.gz KJZKXLFJXWAKLT-UHFFFAOYSA-N 1 1 272.373 3.686 20 30 CHEDMO C=C(C)CC[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000509848244 1121638049 /nfs/dbraw/zinc/63/80/49/1121638049.db2.gz HLLLDZUKBOWXNT-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000611337735 1121638158 /nfs/dbraw/zinc/63/81/58/1121638158.db2.gz QAIZKQZOFNXCEA-AWEZNQCLSA-N 1 1 275.355 3.617 20 30 CHEDMO CC(C)c1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)on1 ZINC000611392667 1121642105 /nfs/dbraw/zinc/64/21/05/1121642105.db2.gz CEWJBDOVFVDCRB-KRWDZBQOSA-N 1 1 295.386 3.837 20 30 CHEDMO CC(C)C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[NH+](C)C ZINC000611390650 1121642395 /nfs/dbraw/zinc/64/23/95/1121642395.db2.gz MTEMMHMELGLPAL-MJGOQNOKSA-N 1 1 299.462 3.502 20 30 CHEDMO Cc1c(Br)cccc1C[N@@H+](C)CC(C)(C)C#N ZINC000433310423 1121645860 /nfs/dbraw/zinc/64/58/60/1121645860.db2.gz HVZLZUJIMKTOGY-UHFFFAOYSA-N 1 1 295.224 3.739 20 30 CHEDMO Cc1c(Br)cccc1C[N@H+](C)CC(C)(C)C#N ZINC000433310423 1121645865 /nfs/dbraw/zinc/64/58/65/1121645865.db2.gz HVZLZUJIMKTOGY-UHFFFAOYSA-N 1 1 295.224 3.739 20 30 CHEDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000611449483 1121647432 /nfs/dbraw/zinc/64/74/32/1121647432.db2.gz KRJYUHHBVVLPAO-GFCCVEGCSA-N 1 1 297.427 3.744 20 30 CHEDMO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000611446475 1121648370 /nfs/dbraw/zinc/64/83/70/1121648370.db2.gz ZYUXWBRQYCXMRS-LBPRGKRZSA-N 1 1 297.427 3.744 20 30 CHEDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(C#N)c(F)c1 ZINC000611483178 1121652120 /nfs/dbraw/zinc/65/21/20/1121652120.db2.gz GRMXLJRCMAVUPO-LLVKDONJSA-N 1 1 294.333 3.757 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCc2ccccc21 ZINC000611548997 1121655552 /nfs/dbraw/zinc/65/55/52/1121655552.db2.gz FLLNTNGOVTXBII-SFHVURJKSA-N 1 1 276.383 3.720 20 30 CHEDMO CCCCCCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC000252890894 1121662013 /nfs/dbraw/zinc/66/20/13/1121662013.db2.gz IUTAIWXOQZMCAO-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCC[N@@H+](CCO)Cc1ccc(C)cc1 ZINC001307602959 1121669509 /nfs/dbraw/zinc/66/95/09/1121669509.db2.gz KUUSGTORAJNXNN-UHFFFAOYSA-N 1 1 263.425 3.760 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000397611702 1121691033 /nfs/dbraw/zinc/69/10/33/1121691033.db2.gz PGVPHCPZSIZWPN-LBPRGKRZSA-N 1 1 282.309 3.831 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000397611702 1121691037 /nfs/dbraw/zinc/69/10/37/1121691037.db2.gz PGVPHCPZSIZWPN-LBPRGKRZSA-N 1 1 282.309 3.831 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000397665103 1121692338 /nfs/dbraw/zinc/69/23/38/1121692338.db2.gz XWGXVMNDMNKIJP-SNVBAGLBSA-N 1 1 299.237 3.636 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000397665103 1121692340 /nfs/dbraw/zinc/69/23/40/1121692340.db2.gz XWGXVMNDMNKIJP-SNVBAGLBSA-N 1 1 299.237 3.636 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000397731830 1121695498 /nfs/dbraw/zinc/69/54/98/1121695498.db2.gz LDISKBBSVGOUKW-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000397731830 1121695501 /nfs/dbraw/zinc/69/55/01/1121695501.db2.gz LDISKBBSVGOUKW-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1Br ZINC001176832721 1121697177 /nfs/dbraw/zinc/69/71/77/1121697177.db2.gz GNSIKSZZLWPDTF-CQSZACIVSA-N 1 1 292.220 3.745 20 30 CHEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1Br ZINC001176832721 1121697179 /nfs/dbraw/zinc/69/71/79/1121697179.db2.gz GNSIKSZZLWPDTF-CQSZACIVSA-N 1 1 292.220 3.745 20 30 CHEDMO C=CCCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC001176871032 1121699207 /nfs/dbraw/zinc/69/92/07/1121699207.db2.gz HOQSOAXIXXTWEY-INIZCTEOSA-N 1 1 260.381 3.583 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@H]2CCc3ccccc3C2)cc1C#N ZINC001176909508 1121702265 /nfs/dbraw/zinc/70/22/65/1121702265.db2.gz ZEYJFPDFBQZITM-FQEVSTJZSA-N 1 1 290.410 3.856 20 30 CHEDMO C=C(Br)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000727222183 1121707473 /nfs/dbraw/zinc/70/74/73/1121707473.db2.gz HHIFAMYAVNJGDJ-HNNXBMFYSA-N 1 1 294.236 3.992 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000614398259 1121708277 /nfs/dbraw/zinc/70/82/77/1121708277.db2.gz PMJAYNWDKOWZBF-QGZVFWFLSA-N 1 1 294.373 3.995 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCCOc1ccccc1 ZINC000614395945 1121708987 /nfs/dbraw/zinc/70/89/87/1121708987.db2.gz BUDJRKFZPUAECK-UHFFFAOYSA-N 1 1 294.398 3.768 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000614402281 1121709902 /nfs/dbraw/zinc/70/99/02/1121709902.db2.gz QJKRVLYRPHTBPS-SFHVURJKSA-N 1 1 262.356 3.814 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000614403410 1121710713 /nfs/dbraw/zinc/71/07/13/1121710713.db2.gz WZFBRIFHVZLDFM-OAHLLOKOSA-N 1 1 268.404 3.879 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000614407274 1121712758 /nfs/dbraw/zinc/71/27/58/1121712758.db2.gz LKWVYANDJQCTMK-OAHLLOKOSA-N 1 1 292.382 3.650 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000614407502 1121712878 /nfs/dbraw/zinc/71/28/78/1121712878.db2.gz SQCPXWRNLXSPGA-KBXCAEBGSA-N 1 1 268.404 3.879 20 30 CHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000924897878 1121791790 /nfs/dbraw/zinc/79/17/90/1121791790.db2.gz JUFJRUWGBPQXNY-ZDUSSCGKSA-N 1 1 283.375 3.760 20 30 CHEDMO CCCCCCCC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000730090359 1121792230 /nfs/dbraw/zinc/79/22/30/1121792230.db2.gz ZGLCZJHAIPEYBY-UHFFFAOYSA-N 1 1 286.379 3.566 20 30 CHEDMO N#Cc1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000433805392 1121810690 /nfs/dbraw/zinc/81/06/90/1121810690.db2.gz MRJIMJCAYHHWCH-HNNXBMFYSA-N 1 1 289.810 3.640 20 30 CHEDMO N#Cc1ccc(Cl)cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433804045 1121812861 /nfs/dbraw/zinc/81/28/61/1121812861.db2.gz OTTGVONVLLDWID-HNNXBMFYSA-N 1 1 289.810 3.640 20 30 CHEDMO CCCCCCCCCCCC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001273233026 1121822932 /nfs/dbraw/zinc/82/29/32/1121822932.db2.gz DANORSAOJVTGSU-UHFFFAOYSA-N 1 1 294.483 3.824 20 30 CHEDMO CCCCCCCCCCCC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001273233026 1121822941 /nfs/dbraw/zinc/82/29/41/1121822941.db2.gz DANORSAOJVTGSU-UHFFFAOYSA-N 1 1 294.483 3.824 20 30 CHEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731211806 1121854510 /nfs/dbraw/zinc/85/45/10/1121854510.db2.gz BWTDWALPGLVODC-INIZCTEOSA-N 1 1 286.419 3.990 20 30 CHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)C(C)(C)C ZINC000619843794 1129015658 /nfs/dbraw/zinc/01/56/58/1129015658.db2.gz GMEUQQCEGPDFQC-HNNXBMFYSA-N 1 1 288.435 3.689 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000732412528 1121921781 /nfs/dbraw/zinc/92/17/81/1121921781.db2.gz IPWOFRKZZLKAHN-LBPRGKRZSA-N 1 1 256.176 3.882 20 30 CHEDMO C=CC[N@@H+](Cc1cn(-c2cccc(F)c2)nc1C)C(C)C ZINC001179997624 1121934671 /nfs/dbraw/zinc/93/46/71/1121934671.db2.gz QYNCBKHQOGDZTR-UHFFFAOYSA-N 1 1 287.382 3.716 20 30 CHEDMO C#CC[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CCCCC1 ZINC001180029608 1121940096 /nfs/dbraw/zinc/94/00/96/1121940096.db2.gz CTUUJSNYZDQCCI-SFHVURJKSA-N 1 1 296.458 3.781 20 30 CHEDMO CC[N@@H+](Cc1c(C)cc(C)c(COC)c1C)C[C@H](C)C#N ZINC001180238802 1121966765 /nfs/dbraw/zinc/96/67/65/1121966765.db2.gz BVGFZJFQTXHCNO-CYBMUJFWSA-N 1 1 288.435 3.740 20 30 CHEDMO CC[N@H+](Cc1c(C)cc(C)c(COC)c1C)C[C@H](C)C#N ZINC001180238802 1121966770 /nfs/dbraw/zinc/96/67/70/1121966770.db2.gz BVGFZJFQTXHCNO-CYBMUJFWSA-N 1 1 288.435 3.740 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001180245186 1121969078 /nfs/dbraw/zinc/96/90/78/1121969078.db2.gz RFMCGRHFWXGCIG-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001180245186 1121969082 /nfs/dbraw/zinc/96/90/82/1121969082.db2.gz RFMCGRHFWXGCIG-SFHVURJKSA-N 1 1 289.394 3.783 20 30 CHEDMO C#CC[N@@H+](Cc1ncc(C(C)C)o1)C1CCCCC1 ZINC000733307496 1121974919 /nfs/dbraw/zinc/97/49/19/1121974919.db2.gz ADXVXUSCGLNCMB-UHFFFAOYSA-N 1 1 260.381 3.566 20 30 CHEDMO C#CC[N@H+](Cc1ncc(C(C)C)o1)C1CCCCC1 ZINC000733307496 1121974926 /nfs/dbraw/zinc/97/49/26/1121974926.db2.gz ADXVXUSCGLNCMB-UHFFFAOYSA-N 1 1 260.381 3.566 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(C)c(OC)n1 ZINC001180505051 1121996554 /nfs/dbraw/zinc/99/65/54/1121996554.db2.gz DQNOXBCWPBXYAY-UHFFFAOYSA-N 1 1 288.416 3.648 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C)c(OC)n1 ZINC001180505051 1121996561 /nfs/dbraw/zinc/99/65/61/1121996561.db2.gz DQNOXBCWPBXYAY-UHFFFAOYSA-N 1 1 288.416 3.648 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(CC)nc2)CCCC1(C)C ZINC000414450539 1121999777 /nfs/dbraw/zinc/99/97/77/1121999777.db2.gz XVZGMEMVHXUTBG-HNNXBMFYSA-N 1 1 273.424 3.606 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000733614540 1122001126 /nfs/dbraw/zinc/00/11/26/1122001126.db2.gz SEABQIGKIQFMLM-HNNXBMFYSA-N 1 1 294.236 3.911 20 30 CHEDMO C=CCC[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501873100 1122019023 /nfs/dbraw/zinc/01/90/23/1122019023.db2.gz NKDITCMRALGIJO-UHFFFAOYSA-N 1 1 275.392 3.650 20 30 CHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC001181196569 1122040636 /nfs/dbraw/zinc/04/06/36/1122040636.db2.gz 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CC(C)(C)CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331505 1123403054 /nfs/dbraw/zinc/40/30/54/1123403054.db2.gz JUYVRZSTICKHCP-SFHVURJKSA-N 1 1 285.435 3.765 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000852469092 1123405560 /nfs/dbraw/zinc/40/55/60/1123405560.db2.gz YIUWRXMIZCJHJQ-GOSISDBHSA-N 1 1 296.345 3.675 20 30 CHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000852469092 1123405562 /nfs/dbraw/zinc/40/55/62/1123405562.db2.gz YIUWRXMIZCJHJQ-GOSISDBHSA-N 1 1 296.345 3.675 20 30 CHEDMO C=CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C ZINC000852552611 1123407745 /nfs/dbraw/zinc/40/77/45/1123407745.db2.gz AYZDDSABABGHAU-UHFFFAOYSA-N 1 1 266.316 3.520 20 30 CHEDMO C=CC[N@@H+](Cc1ccnc(Br)c1)C(C)(C)C ZINC000852554484 1123408938 /nfs/dbraw/zinc/40/89/38/1123408938.db2.gz OLNPFYDIIVCBOA-UHFFFAOYSA-N 1 1 283.213 3.631 20 30 CHEDMO C#CCCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000852688984 1123411613 /nfs/dbraw/zinc/41/16/13/1123411613.db2.gz PEXPPVCQAZQRRU-AWEZNQCLSA-N 1 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/nfs/dbraw/zinc/44/42/38/1123444238.db2.gz ZVOYXSYFURALMD-KRWDZBQOSA-N 1 1 272.392 3.560 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000474286881 1123501574 /nfs/dbraw/zinc/50/15/74/1123501574.db2.gz VIJOOYHTNNTUPL-MRXNPFEDSA-N 1 1 261.409 3.614 20 30 CHEDMO CCCCCCCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855160192 1123508923 /nfs/dbraw/zinc/50/89/23/1123508923.db2.gz PUMHFHMHWOQEMD-INIZCTEOSA-N 1 1 296.499 3.974 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000776802821 1123515638 /nfs/dbraw/zinc/51/56/38/1123515638.db2.gz QJPNSKPFEKLTJM-IBGZPJMESA-N 1 1 276.383 3.684 20 30 CHEDMO Cc1cccc([C@H]2CCCC[N@H+]2CCOCCC#N)c1C ZINC000339008053 1123624485 /nfs/dbraw/zinc/62/44/85/1123624485.db2.gz DMNGREKSWBRVOY-GOSISDBHSA-N 1 1 286.419 3.761 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H]1CCCc2scnc21)c1ccccc1 ZINC000858382076 1123649396 /nfs/dbraw/zinc/64/93/96/1123649396.db2.gz KJKMYVQQKDONFU-HUUCEWRRSA-N 1 1 282.412 3.875 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428312995 1123649698 /nfs/dbraw/zinc/64/96/98/1123649698.db2.gz YEPPZUGXMBUELO-GFCCVEGCSA-N 1 1 284.334 3.557 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccns1 ZINC000858578093 1123664832 /nfs/dbraw/zinc/66/48/32/1123664832.db2.gz SZGMLVFDRJBGHE-VHSXEESVSA-N 1 1 275.352 3.566 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(CC)s1 ZINC000346311569 1123679600 /nfs/dbraw/zinc/67/96/00/1123679600.db2.gz GNFYLXMLVKFZSK-UHFFFAOYSA-N 1 1 276.405 3.529 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(CC)s1 ZINC000346311569 1123679603 /nfs/dbraw/zinc/67/96/03/1123679603.db2.gz GNFYLXMLVKFZSK-UHFFFAOYSA-N 1 1 276.405 3.529 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(F)c1 ZINC000859097809 1123684052 /nfs/dbraw/zinc/68/40/52/1123684052.db2.gz VZQCFYQHBRPPJT-UHFFFAOYSA-N 1 1 283.350 3.503 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000859444894 1123697983 /nfs/dbraw/zinc/69/79/83/1123697983.db2.gz DLBHJIKFTUNQFV-OAHLLOKOSA-N 1 1 297.398 3.808 20 30 CHEDMO C=CC[C@@H](CC)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000281449850 1123708472 /nfs/dbraw/zinc/70/84/72/1123708472.db2.gz SSURUTWGGHEWGX-CQSZACIVSA-N 1 1 255.365 3.521 20 30 CHEDMO C#CCCC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000860124535 1123721186 /nfs/dbraw/zinc/72/11/86/1123721186.db2.gz XSFKWQMEYSMPAU-HNNXBMFYSA-N 1 1 265.347 3.598 20 30 CHEDMO C#CCCC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000860124535 1123721190 /nfs/dbraw/zinc/72/11/90/1123721190.db2.gz XSFKWQMEYSMPAU-HNNXBMFYSA-N 1 1 265.347 3.598 20 30 CHEDMO C#CC[N@@H+](Cc1ccnc(F)c1C)[C@H]1CCc2ccccc21 ZINC000862211505 1123792178 /nfs/dbraw/zinc/79/21/78/1123792178.db2.gz IUFPXIONGNQTHY-SFHVURJKSA-N 1 1 294.373 3.652 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(F)c1C)[C@H]1CCc2ccccc21 ZINC000862211505 1123792179 /nfs/dbraw/zinc/79/21/79/1123792179.db2.gz IUFPXIONGNQTHY-SFHVURJKSA-N 1 1 294.373 3.652 20 30 CHEDMO Cc1c(F)nccc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000862219078 1123793399 /nfs/dbraw/zinc/79/33/99/1123793399.db2.gz IFCJGSBKMGIDFQ-UHFFFAOYSA-N 1 1 297.377 3.811 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000862445566 1123812155 /nfs/dbraw/zinc/81/21/55/1123812155.db2.gz XEIHZGXDNPHZFZ-CYBMUJFWSA-N 1 1 284.790 3.733 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc2nccn21 ZINC000475280707 1123831898 /nfs/dbraw/zinc/83/18/98/1123831898.db2.gz OSBHSZWWQRRIDW-UHFFFAOYSA-N 1 1 291.398 3.913 20 30 CHEDMO CC[N@H+](CCC#N)CCc1ccc2ccccc2c1 ZINC000081039253 1129148384 /nfs/dbraw/zinc/14/83/84/1129148384.db2.gz LTCYIHIEGLEYFN-UHFFFAOYSA-N 1 1 252.361 3.618 20 30 CHEDMO CC[N@@H+](CCC#N)CCc1ccc2ccccc2c1 ZINC000081039253 1129148389 /nfs/dbraw/zinc/14/83/89/1129148389.db2.gz LTCYIHIEGLEYFN-UHFFFAOYSA-N 1 1 252.361 3.618 20 30 CHEDMO C[N@H+]1CCC(N=Nc2ccc3ccccc3n2)CC1(C)C ZINC000863066075 1123842253 /nfs/dbraw/zinc/84/22/53/1123842253.db2.gz UNJHBVVJDQLINH-UHFFFAOYSA-N 1 1 282.391 3.507 20 30 CHEDMO C=CC[N@@H+](C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168065671 1123875457 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C=CCOc1ccccc1C[NH2+]Cc1ccccc1F ZINC000034991957 1124005135 /nfs/dbraw/zinc/00/51/35/1124005135.db2.gz USFOGSROMMWVKB-UHFFFAOYSA-N 1 1 271.335 3.680 20 30 CHEDMO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)ccc1C#N ZINC000865815202 1124016570 /nfs/dbraw/zinc/01/65/70/1124016570.db2.gz SAZJCMBOQNKTEZ-UHFFFAOYSA-N 1 1 298.386 3.747 20 30 CHEDMO C[C@H]1CCSCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000621285632 1129160853 /nfs/dbraw/zinc/16/08/53/1129160853.db2.gz FQOJYPKXEMSHFP-ZDUSSCGKSA-N 1 1 279.836 3.519 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120787941 1124023674 /nfs/dbraw/zinc/02/36/74/1124023674.db2.gz ULNMDHRNBSKHBS-JKSUJKDBSA-N 1 1 282.472 3.536 20 30 CHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000121467455 1124040581 /nfs/dbraw/zinc/04/05/81/1124040581.db2.gz YMEBTAZZGIXUEP-CYBMUJFWSA-N 1 1 292.448 3.530 20 30 CHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C12CCC2 ZINC000444641230 1124049309 /nfs/dbraw/zinc/04/93/09/1124049309.db2.gz DKDFNDZGHCRMSG-HZPDHXFCSA-N 1 1 292.467 3.986 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000444681168 1124054138 /nfs/dbraw/zinc/05/41/38/1124054138.db2.gz YOFZSXWIVZRSQS-BBRMVZONSA-N 1 1 272.392 3.577 20 30 CHEDMO C[N@@H+](CCCSCC#N)Cc1cc(Cl)ccc1F ZINC000444705037 1124055103 /nfs/dbraw/zinc/05/51/03/1124055103.db2.gz LTYZXWSSASGRQI-UHFFFAOYSA-N 1 1 286.803 3.558 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000444697050 1124055316 /nfs/dbraw/zinc/05/53/16/1124055316.db2.gz PUASBSIZSFXNOM-AWEZNQCLSA-N 1 1 282.309 3.527 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccsc1 ZINC000866355386 1124056875 /nfs/dbraw/zinc/05/68/75/1124056875.db2.gz XKCGXPJETGBXAS-MNOVXSKESA-N 1 1 272.373 3.737 20 30 CHEDMO C=CC[C@H]1[N@@H+](CCCCCOC)CCCC1(C)C ZINC000444773073 1124062177 /nfs/dbraw/zinc/06/21/77/1124062177.db2.gz BXGPBWPBRBDAAL-OAHLLOKOSA-N 1 1 253.430 3.870 20 30 CHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(CO)cc2)CCCC1(C)C ZINC000444793217 1124065160 /nfs/dbraw/zinc/06/51/60/1124065160.db2.gz RNFVDCKSJSYKSA-KRWDZBQOSA-N 1 1 273.420 3.746 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C)cn2)CCCC1(C)C ZINC000444787801 1124065693 /nfs/dbraw/zinc/06/56/93/1124065693.db2.gz SHMVGOVCTWFGSP-INIZCTEOSA-N 1 1 258.409 3.957 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428384309 1124071275 /nfs/dbraw/zinc/07/12/75/1124071275.db2.gz CBUIUGGGHVTLQC-LBPRGKRZSA-N 1 1 280.412 3.661 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000794951158 1124096352 /nfs/dbraw/zinc/09/63/52/1124096352.db2.gz BOPAURSMNMTLAX-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO C=CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121873009 1124104100 /nfs/dbraw/zinc/10/41/00/1124104100.db2.gz GGJWMARDBJCZED-HOTGVXAUSA-N 1 1 277.408 3.914 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000445840876 1124104709 /nfs/dbraw/zinc/10/47/09/1124104709.db2.gz KFGIDNCGKRJGFN-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000428424817 1124106818 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CS[C@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000441144952 1124127428 /nfs/dbraw/zinc/12/74/28/1124127428.db2.gz VKQPJOBTNZLKRR-HNNXBMFYSA-N 1 1 299.443 3.528 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000447044584 1124131621 /nfs/dbraw/zinc/13/16/21/1124131621.db2.gz MXHJGQSIHLBZNQ-KRWDZBQOSA-N 1 1 291.435 3.785 20 30 CHEDMO CCc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1C#N ZINC001238778520 1131244178 /nfs/dbraw/zinc/24/41/78/1131244178.db2.gz NYXNILUNMBJVML-AEFFLSMTSA-N 1 1 268.404 3.885 20 30 CHEDMO CCc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1C#N ZINC001238776978 1131245227 /nfs/dbraw/zinc/24/52/27/1131245227.db2.gz YBETVDVKKSPHLO-SFHVURJKSA-N 1 1 291.398 3.505 20 30 CHEDMO CC[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447533604 1124482676 /nfs/dbraw/zinc/48/26/76/1124482676.db2.gz RVVALVBQIAWVPN-MDZRGWNJSA-N 1 1 299.462 3.862 20 30 CHEDMO CCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000122342743 1124491687 /nfs/dbraw/zinc/49/16/87/1124491687.db2.gz FPDXIIQMCIPSMQ-IRXDYDNUSA-N 1 1 296.499 3.926 20 30 CHEDMO C[N@@H+](CCCCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000429723713 1124502663 /nfs/dbraw/zinc/50/26/63/1124502663.db2.gz KTAGREWQSUONHH-IAGOWNOFSA-N 1 1 256.393 3.633 20 30 CHEDMO C=CCC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000527327636 1124570467 /nfs/dbraw/zinc/57/04/67/1124570467.db2.gz BHXRFSPTPQMADO-ZDUSSCGKSA-N 1 1 296.208 3.781 20 30 CHEDMO Fc1ccc(C#CC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000448452953 1124583401 /nfs/dbraw/zinc/58/34/01/1124583401.db2.gz SUTTVZCNRHHFMS-UHFFFAOYSA-N 1 1 285.387 3.903 20 30 CHEDMO Fc1ccc(C#CC[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000448452953 1124583406 /nfs/dbraw/zinc/58/34/06/1124583406.db2.gz SUTTVZCNRHHFMS-UHFFFAOYSA-N 1 1 285.387 3.903 20 30 CHEDMO Cc1cc(C)c(CSCc2ccc(C#N)o2)c(C)[nH+]1 ZINC000871705940 1124631570 /nfs/dbraw/zinc/63/15/70/1124631570.db2.gz HQYAUAMCNCJXOX-UHFFFAOYSA-N 1 1 272.373 3.905 20 30 CHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2occc2C(C)C)no1 ZINC000872181741 1124697915 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C=C(C)C[N@@H+](CC)Cc1ccn(CCc2ccccc2)n1 ZINC000450241301 1124952915 /nfs/dbraw/zinc/95/29/15/1124952915.db2.gz GODAJMLXOVVDHA-UHFFFAOYSA-N 1 1 283.419 3.524 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccn(CCc2ccccc2)n1 ZINC000450241301 1124952919 /nfs/dbraw/zinc/95/29/19/1124952919.db2.gz GODAJMLXOVVDHA-UHFFFAOYSA-N 1 1 283.419 3.524 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000876570710 1124960924 /nfs/dbraw/zinc/96/09/24/1124960924.db2.gz MDPQCYZPBWDSSJ-HNNXBMFYSA-N 1 1 285.435 3.657 20 30 CHEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCc2ccccc21 ZINC000876562688 1124962420 /nfs/dbraw/zinc/96/24/20/1124962420.db2.gz WZZNKMZMZHDRCA-MRXNPFEDSA-N 1 1 297.789 3.726 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCc2ccccc21 ZINC000876562688 1124962423 /nfs/dbraw/zinc/96/24/23/1124962423.db2.gz WZZNKMZMZHDRCA-MRXNPFEDSA-N 1 1 297.789 3.726 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000876617364 1124966973 /nfs/dbraw/zinc/96/69/73/1124966973.db2.gz LYIOVXMMKZHUNI-SECBINFHSA-N 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PJMZSTAXTWAKEP-GFCCVEGCSA-N 1 1 259.397 3.721 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000450438524 1125026128 /nfs/dbraw/zinc/02/61/28/1125026128.db2.gz KQCYFUMVYYIVHT-CJNGLKHVSA-N 1 1 272.367 3.902 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)CCCC(=O)c1ccccc1 ZINC000450463359 1125027703 /nfs/dbraw/zinc/02/77/03/1125027703.db2.gz OLZYXVYJEYAHOM-UHFFFAOYSA-N 1 1 286.419 3.911 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)CCCC(=O)c1ccccc1 ZINC000450463359 1125027710 /nfs/dbraw/zinc/02/77/10/1125027710.db2.gz OLZYXVYJEYAHOM-UHFFFAOYSA-N 1 1 286.419 3.911 20 30 CHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1 ZINC001137121437 1125037058 /nfs/dbraw/zinc/03/70/58/1125037058.db2.gz LNMRTCSEVVUWFM-UHFFFAOYSA-N 1 1 298.361 3.750 20 30 CHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877541915 1125042206 /nfs/dbraw/zinc/04/22/06/1125042206.db2.gz JPYXFOPIYNPGLC-LLVKDONJSA-N 1 1 265.788 3.617 20 30 CHEDMO C#CCCCCCC[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000877590989 1125049788 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N#CC1(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CCC1 ZINC000450710142 1125092896 /nfs/dbraw/zinc/09/28/96/1125092896.db2.gz PMCAAABDNMGCIX-IBSYWUHOSA-N 1 1 266.388 3.858 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccccc2OC)n1 ZINC000877934523 1125104385 /nfs/dbraw/zinc/10/43/85/1125104385.db2.gz BZJVDVDWLWWLKR-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccccc2OC)n1 ZINC000877934523 1125104387 /nfs/dbraw/zinc/10/43/87/1125104387.db2.gz BZJVDVDWLWWLKR-UHFFFAOYSA-N 1 1 286.375 3.748 20 30 CHEDMO C=CC[C@@H](C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000878016011 1125113972 /nfs/dbraw/zinc/11/39/72/1125113972.db2.gz IAZFWGMHAGBIFH-GFCCVEGCSA-N 1 1 265.422 3.814 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C3CC3)s2)CCCC1(C)C ZINC000450861909 1125114387 /nfs/dbraw/zinc/11/43/87/1125114387.db2.gz DZFISXJWCJPKRL-CYBMUJFWSA-N 1 1 291.464 3.982 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2nnc(C3CC3)s2)CCCC1(C)C ZINC000450861909 1125114392 /nfs/dbraw/zinc/11/43/92/1125114392.db2.gz DZFISXJWCJPKRL-CYBMUJFWSA-N 1 1 291.464 3.982 20 30 CHEDMO C#CCCCCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000878234936 1125134428 /nfs/dbraw/zinc/13/44/28/1125134428.db2.gz DAXWLTKQXFCDCZ-FGTMMUONSA-N 1 1 276.468 3.517 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000878400268 1125149264 /nfs/dbraw/zinc/14/92/64/1125149264.db2.gz ABLSONIWAPSVKI-NWDGAFQWSA-N 1 1 287.329 3.503 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878523872 1125158514 /nfs/dbraw/zinc/15/85/14/1125158514.db2.gz JIRGWPAHNMUDAZ-OAHLLOKOSA-N 1 1 298.386 3.891 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000878523872 1125158518 /nfs/dbraw/zinc/15/85/18/1125158518.db2.gz JIRGWPAHNMUDAZ-OAHLLOKOSA-N 1 1 298.386 3.891 20 30 CHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000127164877 1125160173 /nfs/dbraw/zinc/16/01/73/1125160173.db2.gz ZIPGLEIVZWJKHQ-RTBURBONSA-N 1 1 298.430 3.636 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000878701624 1125172952 /nfs/dbraw/zinc/17/29/52/1125172952.db2.gz UAURJGLFZQAQKT-STQMWFEESA-N 1 1 291.357 3.632 20 30 CHEDMO CC[C@@H](C)[N@@H+](CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878884893 1125183318 /nfs/dbraw/zinc/18/33/18/1125183318.db2.gz OIBMWXBNAZQZIA-QAPCUYQASA-N 1 1 286.419 3.547 20 30 CHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000530902530 1125185653 /nfs/dbraw/zinc/18/56/53/1125185653.db2.gz XFQNOVLQJAHSOO-OAHLLOKOSA-N 1 1 292.382 3.556 20 30 CHEDMO C[C@]1(C#N)CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878992485 1125188970 /nfs/dbraw/zinc/18/89/70/1125188970.db2.gz ZNPYWRVXMDTWRD-OKZBNKHCSA-N 1 1 284.403 3.532 20 30 CHEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000878992485 1125188974 /nfs/dbraw/zinc/18/89/74/1125188974.db2.gz ZNPYWRVXMDTWRD-OKZBNKHCSA-N 1 1 284.403 3.532 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000879032211 1125192856 /nfs/dbraw/zinc/19/28/56/1125192856.db2.gz OLUPSMKLGARDLM-CQSZACIVSA-N 1 1 298.386 3.748 20 30 CHEDMO CCCc1nc(C[N@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000879435233 1125214113 /nfs/dbraw/zinc/21/41/13/1125214113.db2.gz XBZSCXVXGZUYBS-UHFFFAOYSA-N 1 1 299.443 3.642 20 30 CHEDMO CCCc1nc(C[N@@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000879435233 1125214118 /nfs/dbraw/zinc/21/41/18/1125214118.db2.gz XBZSCXVXGZUYBS-UHFFFAOYSA-N 1 1 299.443 3.642 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)Cc1csc2ccccc12 ZINC000122953437 1125214993 /nfs/dbraw/zinc/21/49/93/1125214993.db2.gz CYCAIEWAOGUGEJ-AWEZNQCLSA-N 1 1 275.417 3.660 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000531426642 1125218637 /nfs/dbraw/zinc/21/86/37/1125218637.db2.gz RQKVIGUTDCPMCI-UHFFFAOYSA-N 1 1 286.444 3.810 20 30 CHEDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CCCC#N ZINC000880286088 1125261869 /nfs/dbraw/zinc/26/18/69/1125261869.db2.gz RZGCJXGKCBEIOL-ZDUSSCGKSA-N 1 1 278.346 3.836 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320774 1125265380 /nfs/dbraw/zinc/26/53/80/1125265380.db2.gz YGYGIGXSDAKLJS-WFASDCNBSA-N 1 1 283.400 3.565 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000880387563 1125270763 /nfs/dbraw/zinc/27/07/63/1125270763.db2.gz CHEJOAGWEUGTDH-MRXNPFEDSA-N 1 1 256.349 3.862 20 30 CHEDMO C=CCCC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1ccccc1 ZINC000880390223 1125272701 /nfs/dbraw/zinc/27/27/01/1125272701.db2.gz OXPCISYEBIASQA-QGZVFWFLSA-N 1 1 298.434 3.794 20 30 CHEDMO CC(C)Oc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000102397102 1125273226 /nfs/dbraw/zinc/27/32/26/1125273226.db2.gz PSJMFPUUEISQBK-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)o1 ZINC000130106107 1125298810 /nfs/dbraw/zinc/29/88/10/1125298810.db2.gz GIGVMXLQKALMFS-UHFFFAOYSA-N 1 1 286.762 3.969 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)o1 ZINC000130106107 1125298816 /nfs/dbraw/zinc/29/88/16/1125298816.db2.gz GIGVMXLQKALMFS-UHFFFAOYSA-N 1 1 286.762 3.969 20 30 CHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000398997236 1125339130 /nfs/dbraw/zinc/33/91/30/1125339130.db2.gz QBVMWROSLHAVFQ-RHSMWYFYSA-N 1 1 256.393 3.763 20 30 CHEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399252642 1125339265 /nfs/dbraw/zinc/33/92/65/1125339265.db2.gz LWQOTBZHDDFJTP-KRWDZBQOSA-N 1 1 256.393 3.621 20 30 CHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610505821 1125350204 /nfs/dbraw/zinc/35/02/04/1125350204.db2.gz XUEONIIQFFKZHR-SFHVURJKSA-N 1 1 296.345 3.523 20 30 CHEDMO CC(C)CCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000168941769 1125355707 /nfs/dbraw/zinc/35/57/07/1125355707.db2.gz IRFFYCHLBWWEHF-UHFFFAOYSA-N 1 1 274.408 3.751 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000404103191 1125361093 /nfs/dbraw/zinc/36/10/93/1125361093.db2.gz XFMQIVASQWCSPU-HOCLYGCPSA-N 1 1 272.367 3.708 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000131067290 1125372683 /nfs/dbraw/zinc/37/26/83/1125372683.db2.gz GAYRNMHJIFQQPX-KGLIPLIRSA-N 1 1 284.359 3.763 20 30 CHEDMO CC(C)c1c[nH]c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000883147181 1125373369 /nfs/dbraw/zinc/37/33/69/1125373369.db2.gz NCNJMQZSQVASJE-INIZCTEOSA-N 1 1 294.402 3.572 20 30 CHEDMO CC(C)c1c[nH]c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000883162367 1125374480 /nfs/dbraw/zinc/37/44/80/1125374480.db2.gz QWAFZUMNJBDELB-UHFFFAOYSA-N 1 1 294.402 3.574 20 30 CHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000883171659 1125375097 /nfs/dbraw/zinc/37/50/97/1125375097.db2.gz FBTWTEKKMFGSGA-RBUKOAKNSA-N 1 1 298.474 3.638 20 30 CHEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000016433550 1125376706 /nfs/dbraw/zinc/37/67/06/1125376706.db2.gz ZHQREFZWTPESSB-SUMWQHHRSA-N 1 1 280.371 3.907 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000740875438 1125383736 /nfs/dbraw/zinc/38/37/36/1125383736.db2.gz ADZOPMWVFPISML-UHFFFAOYSA-N 1 1 265.445 3.829 20 30 CHEDMO Cc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c(Cl)n1 ZINC000883302105 1125393116 /nfs/dbraw/zinc/39/31/16/1125393116.db2.gz QGMTVNYOZGQETL-INIZCTEOSA-N 1 1 297.789 3.692 20 30 CHEDMO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352823462 1125398541 /nfs/dbraw/zinc/39/85/41/1125398541.db2.gz NJPHIXQCFUVOQN-OAHLLOKOSA-N 1 1 271.389 3.502 20 30 CHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCCC2 ZINC000352834413 1125399056 /nfs/dbraw/zinc/39/90/56/1125399056.db2.gz LZYFGTGWHDUCJS-GFCCVEGCSA-N 1 1 297.427 3.744 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1cccc2ccccc21 ZINC000171032884 1125401019 /nfs/dbraw/zinc/40/10/19/1125401019.db2.gz UAVKYDAGOPUVMM-UHFFFAOYSA-N 1 1 252.361 3.965 20 30 CHEDMO N#Cc1csc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383337 1125407470 /nfs/dbraw/zinc/40/74/70/1125407470.db2.gz WVVAZYBYOUTABL-JKSUJKDBSA-N 1 1 286.375 3.735 20 30 CHEDMO N#Cc1csc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383335 1125407491 /nfs/dbraw/zinc/40/74/91/1125407491.db2.gz WVVAZYBYOUTABL-HOTGVXAUSA-N 1 1 286.375 3.735 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC)[C@@H](C)C1 ZINC001168208148 1125413191 /nfs/dbraw/zinc/41/31/91/1125413191.db2.gz JVGGHHHGQHISAE-INIZCTEOSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCCN1CC[N@H+](CC)[C@@H](C)C1 ZINC001168208148 1125413194 /nfs/dbraw/zinc/41/31/94/1125413194.db2.gz JVGGHHHGQHISAE-INIZCTEOSA-N 1 1 254.462 3.763 20 30 CHEDMO CCCCCCCCCN1CC[N@@H+](CC)[C@@H](C)C1 ZINC001168208148 1125413198 /nfs/dbraw/zinc/41/31/98/1125413198.db2.gz JVGGHHHGQHISAE-INIZCTEOSA-N 1 1 254.462 3.763 20 30 CHEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@](C)(CF)C1 ZINC001253233654 1125414137 /nfs/dbraw/zinc/41/41/37/1125414137.db2.gz KDOPTOSOGPZYAM-JKSUJKDBSA-N 1 1 271.420 3.555 20 30 CHEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(C#N)ccc1OC ZINC000532605617 1125424021 /nfs/dbraw/zinc/42/40/21/1125424021.db2.gz UZSNGTWWGZVTTH-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000105503474 1125436368 /nfs/dbraw/zinc/43/63/68/1125436368.db2.gz UPIOJTSLLSKCFZ-AWEZNQCLSA-N 1 1 271.389 3.564 20 30 CHEDMO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C#N)CC1 ZINC000125000491 1125443818 /nfs/dbraw/zinc/44/38/18/1125443818.db2.gz GSFSBCLNQQHIJQ-NSHDSACASA-N 1 1 293.208 3.746 20 30 CHEDMO N#CCCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000043670102 1125449840 /nfs/dbraw/zinc/44/98/40/1125449840.db2.gz SIWXQYODJCXCBE-IBGZPJMESA-N 1 1 276.383 3.938 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245506943 1129209465 /nfs/dbraw/zinc/20/94/65/1129209465.db2.gz OVYIZRWHZJODDF-GDBMZVCRSA-N 1 1 272.392 3.742 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000245561733 1129211688 /nfs/dbraw/zinc/21/16/88/1129211688.db2.gz OGXSAOQNGKWLQF-PKOBYXMFSA-N 1 1 297.446 3.801 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000245567331 1129212509 /nfs/dbraw/zinc/21/25/09/1129212509.db2.gz UOBOZLRKNQVDIW-IBGZPJMESA-N 1 1 297.446 3.801 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000245794258 1129225414 /nfs/dbraw/zinc/22/54/14/1129225414.db2.gz WQIOBLGWHILZSA-HZPDHXFCSA-N 1 1 285.435 3.514 20 30 CHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622134083 1129230149 /nfs/dbraw/zinc/23/01/49/1129230149.db2.gz VFYDONOVZAMEPW-ZACQAIPSSA-N 1 1 292.467 3.502 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000348026718 1129274247 /nfs/dbraw/zinc/27/42/47/1129274247.db2.gz DRIJFTNUFCHUGB-GOEBONIOSA-N 1 1 277.408 3.954 20 30 CHEDMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)C ZINC000735311706 1129339778 /nfs/dbraw/zinc/33/97/78/1129339778.db2.gz UIYBQGOFZHGSON-UHFFFAOYSA-N 1 1 280.799 3.720 20 30 CHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000735309232 1129340285 /nfs/dbraw/zinc/34/02/85/1129340285.db2.gz JQAFESJAMVPWTI-OAHLLOKOSA-N 1 1 290.794 3.617 20 30 CHEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000091594186 1129365752 /nfs/dbraw/zinc/36/57/52/1129365752.db2.gz FXHTWDQNNXCUPE-YJBOKZPZSA-N 1 1 289.419 3.813 20 30 CHEDMO C#CCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795570411 1129368215 /nfs/dbraw/zinc/36/82/15/1129368215.db2.gz CHZSCQPFFXBYPD-AWEZNQCLSA-N 1 1 265.809 3.530 20 30 CHEDMO C#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000829774257 1129376986 /nfs/dbraw/zinc/37/69/86/1129376986.db2.gz NZNVPNCRJNXFFY-AWEZNQCLSA-N 1 1 298.361 3.716 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC000092667251 1129402590 /nfs/dbraw/zinc/40/25/90/1129402590.db2.gz NMZCEXIAWUIUHJ-AWEZNQCLSA-N 1 1 272.392 3.599 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1cc(F)ccc1F ZINC000739929936 1129409911 /nfs/dbraw/zinc/40/99/11/1129409911.db2.gz HHVCLPLBPBPIQB-MRXNPFEDSA-N 1 1 283.362 3.676 20 30 CHEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000093132137 1129417276 /nfs/dbraw/zinc/41/72/76/1129417276.db2.gz YCFGOMAJFFWJDH-KGLIPLIRSA-N 1 1 296.418 3.605 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1 ZINC000093100766 1129417294 /nfs/dbraw/zinc/41/72/94/1129417294.db2.gz HNXLJJNBEUSLHU-UHFFFAOYSA-N 1 1 273.424 3.514 20 30 CHEDMO CCCCCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000740875357 1129421799 /nfs/dbraw/zinc/42/17/99/1129421799.db2.gz VOJVRSHKOJWBIS-UHFFFAOYSA-N 1 1 294.508 3.879 20 30 CHEDMO CCCCCCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000740875042 1129421847 /nfs/dbraw/zinc/42/18/47/1129421847.db2.gz ZZVUULAFPIWBPP-HNNXBMFYSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000740873717 1129421996 /nfs/dbraw/zinc/42/19/96/1129421996.db2.gz XPNUMEROMAURBG-UHFFFAOYSA-N 1 1 299.462 3.646 20 30 CHEDMO CCCCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000740875585 1129422256 /nfs/dbraw/zinc/42/22/56/1129422256.db2.gz DPMPHTLUGJLEKK-UHFFFAOYSA-N 1 1 274.408 3.587 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000740877583 1129423341 /nfs/dbraw/zinc/42/33/41/1129423341.db2.gz KIHLQIXIAFRZPR-KRWDZBQOSA-N 1 1 266.473 3.907 20 30 CHEDMO CCCCCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000740877583 1129423344 /nfs/dbraw/zinc/42/33/44/1129423344.db2.gz KIHLQIXIAFRZPR-KRWDZBQOSA-N 1 1 266.473 3.907 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000093480919 1129424926 /nfs/dbraw/zinc/42/49/26/1129424926.db2.gz WQIOBLGWHILZSA-CVEARBPZSA-N 1 1 285.435 3.514 20 30 CHEDMO C=CC[N@H+](CCC(=O)C(C)(C)C)Cc1ccccc1 ZINC000741156868 1129430028 /nfs/dbraw/zinc/43/00/28/1129430028.db2.gz IXGXZCUXWOPVFC-UHFFFAOYSA-N 1 1 259.393 3.680 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000249113654 1129441667 /nfs/dbraw/zinc/44/16/67/1129441667.db2.gz CSXPQWWUVNVPDY-SJORKVTESA-N 1 1 286.444 3.727 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832383918 1129441714 /nfs/dbraw/zinc/44/17/14/1129441714.db2.gz HGMCVPGIVYHJEJ-GFCCVEGCSA-N 1 1 282.453 3.547 20 30 CHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832383918 1129441716 /nfs/dbraw/zinc/44/17/16/1129441716.db2.gz HGMCVPGIVYHJEJ-GFCCVEGCSA-N 1 1 282.453 3.547 20 30 CHEDMO CCCCCCC[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000766271629 1129443978 /nfs/dbraw/zinc/44/39/78/1129443978.db2.gz WBDBMOHFASENJS-CQSZACIVSA-N 1 1 276.415 3.618 20 30 CHEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000741790798 1129453079 /nfs/dbraw/zinc/45/30/79/1129453079.db2.gz LVZKXTHLBNEYHJ-HZPDHXFCSA-N 1 1 254.462 3.761 20 30 CHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000720344277 1129457085 /nfs/dbraw/zinc/45/70/85/1129457085.db2.gz HSSJZWJETIVDRV-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000742383588 1129472985 /nfs/dbraw/zinc/47/29/85/1129472985.db2.gz RABDZJNRLQODKY-ABAIWWIYSA-N 1 1 284.334 3.704 20 30 CHEDMO C=CCOCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000645093261 1129487151 /nfs/dbraw/zinc/48/71/51/1129487151.db2.gz KMOKECPADRBEAE-SFHVURJKSA-N 1 1 271.404 3.731 20 30 CHEDMO CCCCCCCCCC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001137568137 1131378869 /nfs/dbraw/zinc/37/88/69/1131378869.db2.gz ASVYIGMYJFLVTN-MRXNPFEDSA-N 1 1 282.472 3.680 20 30 CHEDMO C=CCC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000646129931 1129525168 /nfs/dbraw/zinc/52/51/68/1129525168.db2.gz WRRILUYUSNKEQM-ZDUSSCGKSA-N 1 1 264.438 3.679 20 30 CHEDMO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCn2cnnc2C1 ZINC001258714678 1129538310 /nfs/dbraw/zinc/53/83/10/1129538310.db2.gz TVVBSZIAARTDDL-MRXNPFEDSA-N 1 1 292.471 3.869 20 30 CHEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCn2cnnc2C1 ZINC001258714678 1129538312 /nfs/dbraw/zinc/53/83/12/1129538312.db2.gz TVVBSZIAARTDDL-MRXNPFEDSA-N 1 1 292.471 3.869 20 30 CHEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001258714554 1129538530 /nfs/dbraw/zinc/53/85/30/1129538530.db2.gz QFHGWHQCUVDXJW-CVEARBPZSA-N 1 1 282.472 3.569 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743872851 1129543082 /nfs/dbraw/zinc/54/30/82/1129543082.db2.gz BYUMDSFVVFYVRH-UHFFFAOYSA-N 1 1 284.197 3.553 20 30 CHEDMO CCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001137583801 1131381242 /nfs/dbraw/zinc/38/12/42/1131381242.db2.gz SZTIWFJLSISFQF-BBWFWOEESA-N 1 1 294.483 3.584 20 30 CHEDMO C#CC[N@H+](Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000744212529 1129560244 /nfs/dbraw/zinc/56/02/44/1129560244.db2.gz FWWNMVDMPVMCTN-UHFFFAOYSA-N 1 1 263.331 3.733 20 30 CHEDMO C=CCC[C@@H](C)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258728789 1129588224 /nfs/dbraw/zinc/58/82/24/1129588224.db2.gz QEXCLROLAHEYHS-MRXNPFEDSA-N 1 1 276.468 3.682 20 30 CHEDMO C=CCC[C@@H](C)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258728789 1129588228 /nfs/dbraw/zinc/58/82/28/1129588228.db2.gz QEXCLROLAHEYHS-MRXNPFEDSA-N 1 1 276.468 3.682 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000822525518 1131385339 /nfs/dbraw/zinc/38/53/39/1131385339.db2.gz HSNUNLLQBRJWQO-ZDUSSCGKSA-N 1 1 268.360 3.961 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000746156515 1129627900 /nfs/dbraw/zinc/62/79/00/1129627900.db2.gz LFIBRFVBSMZQTI-CQSZACIVSA-N 1 1 255.386 3.945 20 30 CHEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC000766379134 1129659861 /nfs/dbraw/zinc/65/98/61/1129659861.db2.gz AAHSPIVTSCEWFU-UONOGXRCSA-N 1 1 289.419 3.607 20 30 CHEDMO C#Cc1cccc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000766447448 1129668076 /nfs/dbraw/zinc/66/80/76/1129668076.db2.gz 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C=CCCCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001170206476 1130458130 /nfs/dbraw/zinc/45/81/30/1130458130.db2.gz VBOPAMDXQOZURH-FQEVSTJZSA-N 1 1 298.474 3.941 20 30 CHEDMO C=CCCCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001170206476 1130458134 /nfs/dbraw/zinc/45/81/34/1130458134.db2.gz VBOPAMDXQOZURH-FQEVSTJZSA-N 1 1 298.474 3.941 20 30 CHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001170283387 1130479911 /nfs/dbraw/zinc/47/99/11/1130479911.db2.gz KSBIXRLFABJZCD-KGLIPLIRSA-N 1 1 276.811 3.897 20 30 CHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001170386748 1130488362 /nfs/dbraw/zinc/48/83/62/1130488362.db2.gz KYNUREDQFSUPFK-WWDZGPRUSA-N 1 1 286.394 3.824 20 30 CHEDMO C#CCOc1ccccc1C[NH2+]Cc1c(F)cccc1CC ZINC000792983293 1130511198 /nfs/dbraw/zinc/51/11/98/1130511198.db2.gz ABAMTRLVEFCKBX-UHFFFAOYSA-N 1 1 297.373 3.690 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000679357780 1130520613 /nfs/dbraw/zinc/52/06/13/1130520613.db2.gz AXTPFZBSBKQJER-UHFFFAOYSA-N 1 1 289.810 3.593 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000793222913 1130530298 /nfs/dbraw/zinc/53/02/98/1130530298.db2.gz ABJGAQOUBPJNEF-UHFFFAOYSA-N 1 1 297.398 3.979 20 30 CHEDMO C[N@H+]1CC[C@@H](c2ccc(NCC#Cc3ccccc3)cc2)C1 ZINC001170429611 1130542093 /nfs/dbraw/zinc/54/20/93/1130542093.db2.gz QWTNAMOVCURXLQ-LJQANCHMSA-N 1 1 290.410 3.569 20 30 CHEDMO C#CC[N@@H+](Cc1cc(Cl)ccn1)[C@@H]1CCc2ccccc21 ZINC001139563593 1130544850 /nfs/dbraw/zinc/54/48/50/1130544850.db2.gz MWEQHLKRZAGBRI-GOSISDBHSA-N 1 1 296.801 3.858 20 30 CHEDMO C#CC[N@H+](Cc1cc(Cl)ccn1)[C@@H]1CCc2ccccc21 ZINC001139563593 1130544856 /nfs/dbraw/zinc/54/48/56/1130544856.db2.gz MWEQHLKRZAGBRI-GOSISDBHSA-N 1 1 296.801 3.858 20 30 CHEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(F)c(C#N)c1 ZINC000758720892 1130559600 /nfs/dbraw/zinc/55/96/00/1130559600.db2.gz NMIDNXRTXDVPML-UHFFFAOYSA-N 1 1 286.325 3.511 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000793533593 1130565756 /nfs/dbraw/zinc/56/57/56/1130565756.db2.gz OBQILXCAIACPNP-MRXNPFEDSA-N 1 1 266.473 3.974 20 30 CHEDMO C=C(Cl)C[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000747681067 1130591474 /nfs/dbraw/zinc/59/14/74/1130591474.db2.gz GLVZLSNEHPDPLC-CQSZACIVSA-N 1 1 290.838 3.655 20 30 CHEDMO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(N)cc1C ZINC000758120147 1130598563 /nfs/dbraw/zinc/59/85/63/1130598563.db2.gz KBILJNFZSATYBN-UHFFFAOYSA-N 1 1 290.370 3.962 20 30 CHEDMO C#CC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000758423157 1130611220 /nfs/dbraw/zinc/61/12/20/1130611220.db2.gz IPAVKASSHFDAGS-INIZCTEOSA-N 1 1 273.738 3.791 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000811517333 1130615079 /nfs/dbraw/zinc/61/50/79/1130615079.db2.gz OOABPEFLXNRTHW-MRXNPFEDSA-N 1 1 273.738 3.943 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000758686723 1130621890 /nfs/dbraw/zinc/62/18/90/1130621890.db2.gz IOFNSYNSGJNJIP-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000758686723 1130621892 /nfs/dbraw/zinc/62/18/92/1130621892.db2.gz IOFNSYNSGJNJIP-CYBMUJFWSA-N 1 1 280.346 3.817 20 30 CHEDMO C#C[C@@](C)(CC)Nc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001158742002 1130625741 /nfs/dbraw/zinc/62/57/41/1130625741.db2.gz AEUCHDZXKALYAY-WMZOPIPTSA-N 1 1 285.435 3.842 20 30 CHEDMO C[C@H]1CC(=NOC/C=C/Cl)CC[N@H+]1Cc1ccccc1 ZINC000811671133 1130634411 /nfs/dbraw/zinc/63/44/11/1130634411.db2.gz AIJBSZGNXOEFOD-FERLRNGMSA-N 1 1 292.810 3.796 20 30 CHEDMO CCC(=[NH+]Nc1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000759197811 1130643257 /nfs/dbraw/zinc/64/32/57/1130643257.db2.gz WJPXKMRQUKBOEO-UHFFFAOYSA-N 1 1 297.402 3.987 20 30 CHEDMO CCCCCCC/C=C/CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030921 1130702227 /nfs/dbraw/zinc/70/22/27/1130702227.db2.gz IGRKUXMIXOMRBC-KBOKABMXSA-N 1 1 264.457 3.589 20 30 CHEDMO CC(C)CNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781124294 1130703894 /nfs/dbraw/zinc/70/38/94/1130703894.db2.gz CYGQYKNCAVFUSS-ROUUACIJSA-N 1 1 299.462 3.520 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000812792622 1130715307 /nfs/dbraw/zinc/71/53/07/1130715307.db2.gz CZOWZXCKQPOVIX-INIZCTEOSA-N 1 1 273.738 3.943 20 30 CHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1)c1ccc(F)cc1 ZINC000812793414 1130716696 /nfs/dbraw/zinc/71/66/96/1130716696.db2.gz SVZOSVTYCKRAIU-GOSISDBHSA-N 1 1 283.346 3.689 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cncc(OC)c1C ZINC001235469546 1130746969 /nfs/dbraw/zinc/74/69/69/1130746969.db2.gz DFAFQNDVJOLUAY-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(OC)c1C ZINC001235469546 1130746973 /nfs/dbraw/zinc/74/69/73/1130746973.db2.gz DFAFQNDVJOLUAY-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1 ZINC000781930950 1130750145 /nfs/dbraw/zinc/75/01/45/1130750145.db2.gz ZXFBWMXQDICESZ-GJYPPUQNSA-N 1 1 298.430 3.990 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1CC#N ZINC001235524175 1130751064 /nfs/dbraw/zinc/75/10/64/1130751064.db2.gz AIQBILGQNFDRET-UHFFFAOYSA-N 1 1 294.398 3.783 20 30 CHEDMO N#CCc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001235525857 1130751997 /nfs/dbraw/zinc/75/19/97/1130751997.db2.gz RYQORMLEUVLQCE-HDICACEKSA-N 1 1 288.394 3.839 20 30 CHEDMO N#CCc1ccccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235527737 1130752948 /nfs/dbraw/zinc/75/29/48/1130752948.db2.gz LDIXKTPZHTZXLW-GOSISDBHSA-N 1 1 294.373 3.881 20 30 CHEDMO N#Cc1cc(F)c(C[N@H+]2CCC3(C2)CCCCC3)c(F)c1 ZINC001235661793 1130762100 /nfs/dbraw/zinc/76/21/00/1130762100.db2.gz SZRCFPCFQNARKP-UHFFFAOYSA-N 1 1 290.357 3.993 20 30 CHEDMO N#Cc1cc(F)c(C[NH+]2CCC3(CCC3)CC2)c(F)c1 ZINC001235650311 1130763104 /nfs/dbraw/zinc/76/31/04/1130763104.db2.gz DWKNVCWADKGLNL-UHFFFAOYSA-N 1 1 276.330 3.603 20 30 CHEDMO Cc1nc2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2s1 ZINC001235864363 1130788303 /nfs/dbraw/zinc/78/83/03/1130788303.db2.gz XZUMOCGVHHKVFF-QKDCVEJESA-N 1 1 297.427 3.871 20 30 CHEDMO CCCCCCCCCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000814165429 1130837587 /nfs/dbraw/zinc/83/75/87/1130837587.db2.gz SJEWZUXKNAMJRE-SFHVURJKSA-N 1 1 294.483 3.681 20 30 CHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000783718769 1130850627 /nfs/dbraw/zinc/85/06/27/1130850627.db2.gz ROKQPHBXYAPPAG-WBVHZDCISA-N 1 1 286.419 3.845 20 30 CHEDMO CC1(C)[C@@H]2C[C@@H]([N@@H+](CCC#N)Cc3ccccc3)C[C@@H]21 ZINC001170742208 1130866998 /nfs/dbraw/zinc/86/69/98/1130866998.db2.gz ZHUFPCWTWGPHON-OSYLJGHBSA-N 1 1 268.404 3.837 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCN[C@H](CCCC)C1 ZINC001236141350 1130874586 /nfs/dbraw/zinc/87/45/86/1130874586.db2.gz YOVQFRSWXYMITQ-MRXNPFEDSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCC[N@H+]1CCN[C@H](CCCC)C1 ZINC001236141350 1130874592 /nfs/dbraw/zinc/87/45/92/1130874592.db2.gz YOVQFRSWXYMITQ-MRXNPFEDSA-N 1 1 252.446 3.587 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3ccc(N)cc3C2)CC1 ZINC001236230929 1130898682 /nfs/dbraw/zinc/89/86/82/1130898682.db2.gz FATOKGUENRFXOU-MRXNPFEDSA-N 1 1 282.431 3.930 20 30 CHEDMO C[C@@H]1C(N=Nc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000814732016 1130903285 /nfs/dbraw/zinc/90/32/85/1130903285.db2.gz UCONFJLIHIBXKG-OAHLLOKOSA-N 1 1 294.402 3.534 20 30 CHEDMO CC(=NNc1ccccc1F)c1ccc(C[NH+](C)C)cc1 ZINC000814789566 1130911055 /nfs/dbraw/zinc/91/10/55/1130911055.db2.gz JLYWKAAOWZKAAE-UHFFFAOYSA-N 1 1 285.366 3.723 20 30 CHEDMO CCC(=[NH+]Nc1ccc(OC)cc1)c1cccc(N)c1 ZINC000814885179 1130930063 /nfs/dbraw/zinc/93/00/63/1130930063.db2.gz QIXQFPHJFDHRBP-UHFFFAOYSA-N 1 1 269.348 3.504 20 30 CHEDMO C=CCCC(CCC)=[NH+]n1cc(Br)cn1 ZINC000814884070 1130936132 /nfs/dbraw/zinc/93/61/32/1130936132.db2.gz BMGRMUFFFSZAPG-UHFFFAOYSA-N 1 1 270.174 3.616 20 30 CHEDMO COc1ccc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)cc1 ZINC000814885405 1130936764 /nfs/dbraw/zinc/93/67/64/1130936764.db2.gz ZICKWPCZZGDPAC-UHFFFAOYSA-N 1 1 289.766 3.767 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1cccc(F)n1)c1ccco1 ZINC000796837657 1130938228 /nfs/dbraw/zinc/93/82/28/1130938228.db2.gz PZISZUKPQDJTKZ-ZDUSSCGKSA-N 1 1 260.312 3.611 20 30 CHEDMO C#CC1CC[NH+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001138012052 1130982850 /nfs/dbraw/zinc/98/28/50/1130982850.db2.gz SKMRVSPAHXGZHQ-UHFFFAOYSA-N 1 1 285.284 3.690 20 30 CHEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000797528713 1130990958 /nfs/dbraw/zinc/99/09/58/1130990958.db2.gz VISGMVYDCATLDT-ULQDDVLXSA-N 1 1 283.456 3.615 20 30 CHEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815588682 1131005091 /nfs/dbraw/zinc/00/50/91/1131005091.db2.gz VXEYCOWNYHNGEB-BDAKNGLRSA-N 1 1 259.271 3.636 20 30 CHEDMO C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(C#N)cc1 ZINC000815649979 1131016695 /nfs/dbraw/zinc/01/66/95/1131016695.db2.gz DNXCUISVXKBTNX-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236864612 1131025306 /nfs/dbraw/zinc/02/53/06/1131025306.db2.gz ULVNKWNBDZSARR-CYBMUJFWSA-N 1 1 293.208 3.695 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(C)cc3)c2)C1 ZINC001237004035 1131036570 /nfs/dbraw/zinc/03/65/70/1131036570.db2.gz VOOQDQYLZDEHIV-QGZVFWFLSA-N 1 1 290.410 3.902 20 30 CHEDMO CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237030730 1131039202 /nfs/dbraw/zinc/03/92/02/1131039202.db2.gz GARPIKBOQHLRMP-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO Oc1ccc(Cl)c(Cl)c1C[NH+]1CCC(S)CC1 ZINC001237085243 1131047113 /nfs/dbraw/zinc/04/71/13/1131047113.db2.gz WBAUUHMHFUNZFV-UHFFFAOYSA-N 1 1 292.231 3.593 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237141043 1131059226 /nfs/dbraw/zinc/05/92/26/1131059226.db2.gz SUXKQEDLSYAVAC-LLVKDONJSA-N 1 1 298.308 3.537 20 30 CHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193622 1131075953 /nfs/dbraw/zinc/07/59/53/1131075953.db2.gz MLVUQKMTSBJYDO-INIZCTEOSA-N 1 1 296.801 3.576 20 30 CHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193622 1131075958 /nfs/dbraw/zinc/07/59/58/1131075958.db2.gz MLVUQKMTSBJYDO-INIZCTEOSA-N 1 1 296.801 3.576 20 30 CHEDMO CC1(C)C[N@H+](Cc2csc(C#N)c2)Cc2ccccc2O1 ZINC001206084802 1131080483 /nfs/dbraw/zinc/08/04/83/1131080483.db2.gz NXMRRRLDKZJQCH-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO CC1(C)C[N@@H+](Cc2csc(C#N)c2)Cc2ccccc2O1 ZINC001206084802 1131080490 /nfs/dbraw/zinc/08/04/90/1131080490.db2.gz NXMRRRLDKZJQCH-UHFFFAOYSA-N 1 1 298.411 3.793 20 30 CHEDMO Cc1cc(F)cc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237320321 1131082445 /nfs/dbraw/zinc/08/24/45/1131082445.db2.gz CVACESUMEGAKKY-MKZZRHPPSA-N 1 1 272.367 3.709 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)ccn1 ZINC001237458668 1131100964 /nfs/dbraw/zinc/10/09/64/1131100964.db2.gz AGCQVSKVRCBBFG-GOSISDBHSA-N 1 1 277.371 3.680 20 30 CHEDMO Cn1cc(C[N@H+]2CCCC[C@](C)(F)C2)c2cc(C#N)ccc21 ZINC001237464947 1131102147 /nfs/dbraw/zinc/10/21/47/1131102147.db2.gz GXWJTNFBRXFXMC-SFHVURJKSA-N 1 1 299.393 3.764 20 30 CHEDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC001237465624 1131102612 /nfs/dbraw/zinc/10/26/12/1131102612.db2.gz JBQZJEJYNDRYAG-QGZVFWFLSA-N 1 1 265.360 3.536 20 30 CHEDMO Cn1cc(C[N@H+]2CCCC[C@@](C)(F)C2)c2cc(C#N)ccc21 ZINC001237464942 1131102995 /nfs/dbraw/zinc/10/29/95/1131102995.db2.gz GXWJTNFBRXFXMC-GOSISDBHSA-N 1 1 299.393 3.764 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237464575 1131103148 /nfs/dbraw/zinc/10/31/48/1131103148.db2.gz FKHFYNNQPRNDSX-CQSZACIVSA-N 1 1 281.403 3.672 20 30 CHEDMO COc1c(C)cccc1C[N@H+](CCC#N)C1CCCC1 ZINC001237512260 1131107416 /nfs/dbraw/zinc/10/74/16/1131107416.db2.gz ZCWCHAFRZQHKPU-UHFFFAOYSA-N 1 1 272.392 3.662 20 30 CHEDMO COc1c(C)cccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001237512260 1131107420 /nfs/dbraw/zinc/10/74/20/1131107420.db2.gz ZCWCHAFRZQHKPU-UHFFFAOYSA-N 1 1 272.392 3.662 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000816593367 1131110181 /nfs/dbraw/zinc/11/01/81/1131110181.db2.gz PEWJHCXVSLBPIJ-MRXNPFEDSA-N 1 1 263.384 3.772 20 30 CHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237526724 1131110819 /nfs/dbraw/zinc/11/08/19/1131110819.db2.gz QNCLKZRSANVLJR-LLVKDONJSA-N 1 1 264.319 3.601 20 30 CHEDMO N#Cc1cc(C[N@@H+]2CCCC3(CCCC3)C2)c(F)cc1F ZINC001237525801 1131111699 /nfs/dbraw/zinc/11/16/99/1131111699.db2.gz VROPYUIRJRTXFU-UHFFFAOYSA-N 1 1 290.357 3.993 20 30 CHEDMO N#Cc1cc(C[N@H+]2CCCC3(CCCC3)C2)c(F)cc1F ZINC001237525801 1131111701 /nfs/dbraw/zinc/11/17/01/1131111701.db2.gz VROPYUIRJRTXFU-UHFFFAOYSA-N 1 1 290.357 3.993 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1(C)C ZINC000816624846 1131112175 /nfs/dbraw/zinc/11/21/75/1131112175.db2.gz JKGOUGOYNCKPOS-SFHVURJKSA-N 1 1 299.462 3.903 20 30 CHEDMO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237669996 1131127399 /nfs/dbraw/zinc/12/73/99/1131127399.db2.gz UZRIRCZERCGAAI-CQSZACIVSA-N 1 1 298.336 3.977 20 30 CHEDMO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237669996 1131127403 /nfs/dbraw/zinc/12/74/03/1131127403.db2.gz UZRIRCZERCGAAI-CQSZACIVSA-N 1 1 298.336 3.977 20 30 CHEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237668120 1131127540 /nfs/dbraw/zinc/12/75/40/1131127540.db2.gz HQTWAVAELLKUKC-IBGZPJMESA-N 1 1 292.382 3.795 20 30 CHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237668120 1131127546 /nfs/dbraw/zinc/12/75/46/1131127546.db2.gz HQTWAVAELLKUKC-IBGZPJMESA-N 1 1 292.382 3.795 20 30 CHEDMO COc1ccc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001237715425 1131132742 /nfs/dbraw/zinc/13/27/42/1131132742.db2.gz LAEKAAOOGCEERI-UHFFFAOYSA-N 1 1 280.371 3.507 20 30 CHEDMO CCCCCCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116209593 1131134112 /nfs/dbraw/zinc/13/41/12/1131134112.db2.gz QYNCCLCKLDBQAF-UHFFFAOYSA-N 1 1 262.353 3.881 20 30 CHEDMO CCCCCCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116209593 1131134113 /nfs/dbraw/zinc/13/41/13/1131134113.db2.gz QYNCCLCKLDBQAF-UHFFFAOYSA-N 1 1 262.353 3.881 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237757684 1131138678 /nfs/dbraw/zinc/13/86/78/1131138678.db2.gz SBWMLOOKEHQQRK-UHFFFAOYSA-N 1 1 295.773 3.715 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCCC23CC3)c1 ZINC001237754510 1131139591 /nfs/dbraw/zinc/13/95/91/1131139591.db2.gz VXPTYVKTGYPFHQ-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](c1ccc(OC)cc1F)C1CC1 ZINC000817581923 1131173001 /nfs/dbraw/zinc/17/30/01/1131173001.db2.gz USLSFSNEYPRXEU-AWEZNQCLSA-N 1 1 269.747 3.628 20 30 CHEDMO N#Cc1cc(C[NH+]2CCC(C(F)F)CC2)ccc1Cl ZINC001238191334 1131177508 /nfs/dbraw/zinc/17/75/08/1131177508.db2.gz LZYGOYLIBZZTAK-UHFFFAOYSA-N 1 1 284.737 3.689 20 30 CHEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238195966 1131178834 /nfs/dbraw/zinc/17/88/34/1131178834.db2.gz MHWUJOZXZGTDQO-UHFFFAOYSA-N 1 1 285.778 3.629 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC001238196742 1131179107 /nfs/dbraw/zinc/17/91/07/1131179107.db2.gz QAIGERIZQNVHIF-UHFFFAOYSA-N 1 1 262.784 3.976 20 30 CHEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3ccccc3cc2OC)C1 ZINC001117744865 1131196145 /nfs/dbraw/zinc/19/61/45/1131196145.db2.gz ZAWGVOZCLIRQGD-SFHVURJKSA-N 1 1 297.398 3.625 20 30 CHEDMO C=CCOCC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001117788110 1131199726 /nfs/dbraw/zinc/19/97/26/1131199726.db2.gz HFCVSEHIOQFULI-MSOLQXFVSA-N 1 1 271.404 3.590 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cc(OC(C)C)ccc1C ZINC001238487509 1131207695 /nfs/dbraw/zinc/20/76/95/1131207695.db2.gz ZGTZJNKNWHHXGL-UHFFFAOYSA-N 1 1 274.408 3.908 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cc(OC(C)C)ccc1C ZINC001238487509 1131207698 /nfs/dbraw/zinc/20/76/98/1131207698.db2.gz ZGTZJNKNWHHXGL-UHFFFAOYSA-N 1 1 274.408 3.908 20 30 CHEDMO Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238486481 1131208028 /nfs/dbraw/zinc/20/80/28/1131208028.db2.gz RJXXAJKHQPIAQZ-MRXNPFEDSA-N 1 1 286.419 3.908 20 30 CHEDMO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001238664412 1131228004 /nfs/dbraw/zinc/22/80/04/1131228004.db2.gz KBQPQLDGQJFUMT-MRXNPFEDSA-N 1 1 286.419 3.826 20 30 CHEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001238664412 1131228010 /nfs/dbraw/zinc/22/80/10/1131228010.db2.gz KBQPQLDGQJFUMT-MRXNPFEDSA-N 1 1 286.419 3.826 20 30 CHEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)n1-c1ccccc1 ZINC001137857560 1131424769 /nfs/dbraw/zinc/42/47/69/1131424769.db2.gz IPBSWMOLMLWOAB-KRWDZBQOSA-N 1 1 293.414 3.830 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)n1-c1ccccc1 ZINC001137857560 1131424771 /nfs/dbraw/zinc/42/47/71/1131424771.db2.gz IPBSWMOLMLWOAB-KRWDZBQOSA-N 1 1 293.414 3.830 20 30 CHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000829774336 1131432346 /nfs/dbraw/zinc/43/23/46/1131432346.db2.gz PCKDWBDLTFYBKV-CYBMUJFWSA-N 1 1 286.400 3.638 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000829784404 1131432523 /nfs/dbraw/zinc/43/25/23/1131432523.db2.gz JCQAALGTTLGNLW-CQSZACIVSA-N 1 1 298.361 3.716 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000787311573 1131436966 /nfs/dbraw/zinc/43/69/66/1131436966.db2.gz VRRXMLYCNJNPFC-CYBMUJFWSA-N 1 1 251.757 3.586 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001137962719 1131442747 /nfs/dbraw/zinc/44/27/47/1131442747.db2.gz ZINSTIMZDNECIJ-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)CC1 ZINC001137962719 1131442750 /nfs/dbraw/zinc/44/27/50/1131442750.db2.gz ZINSTIMZDNECIJ-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c2ccccc12 ZINC001138016251 1131452190 /nfs/dbraw/zinc/45/21/90/1131452190.db2.gz CJJSKJXKYIDLLQ-OAHLLOKOSA-N 1 1 264.372 3.884 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c2ccccc12 ZINC001138016251 1131452191 /nfs/dbraw/zinc/45/21/91/1131452191.db2.gz CJJSKJXKYIDLLQ-OAHLLOKOSA-N 1 1 264.372 3.884 20 30 CHEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824250354 1131460871 /nfs/dbraw/zinc/46/08/71/1131460871.db2.gz NMMNOBPKKXKDSE-GJZGRUSLSA-N 1 1 296.455 3.530 20 30 CHEDMO Cc1cccc2[nH]c(C[N@@H+](CCC#N)CC(C)C)cc21 ZINC000824503269 1131473236 /nfs/dbraw/zinc/47/32/36/1131473236.db2.gz RDPDIORSMURRCD-UHFFFAOYSA-N 1 1 269.392 3.848 20 30 CHEDMO Cc1cccc2[nH]c(C[N@H+](CCC#N)CC(C)C)cc21 ZINC000824503269 1131473238 /nfs/dbraw/zinc/47/32/38/1131473238.db2.gz RDPDIORSMURRCD-UHFFFAOYSA-N 1 1 269.392 3.848 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2ccncc2s1 ZINC000824502932 1131473491 /nfs/dbraw/zinc/47/34/91/1131473491.db2.gz MSXNAHYSEMVUSZ-UHFFFAOYSA-N 1 1 273.405 3.668 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC001136938474 1131482825 /nfs/dbraw/zinc/48/28/25/1131482825.db2.gz XLYZDFGKJVIDRS-UHFFFAOYSA-N 1 1 296.361 3.846 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC001136938474 1131482827 /nfs/dbraw/zinc/48/28/27/1131482827.db2.gz XLYZDFGKJVIDRS-UHFFFAOYSA-N 1 1 296.361 3.846 20 30 CHEDMO C#CC[N@H+](CCCCOC(C)(C)C)Cc1ccc(F)cc1 ZINC000789308948 1131502843 /nfs/dbraw/zinc/50/28/43/1131502843.db2.gz CJSMVOXGOPCXFV-UHFFFAOYSA-N 1 1 291.410 3.856 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC001138431555 1131504596 /nfs/dbraw/zinc/50/45/96/1131504596.db2.gz VRHVBIWWDRLPNH-UHFFFAOYSA-N 1 1 274.408 3.828 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC001138431555 1131504598 /nfs/dbraw/zinc/50/45/98/1131504598.db2.gz VRHVBIWWDRLPNH-UHFFFAOYSA-N 1 1 274.408 3.828 20 30 CHEDMO Cc1c2ccccc2sc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001138464290 1131509337 /nfs/dbraw/zinc/50/93/37/1131509337.db2.gz VALQXGAHWWRQTF-MRXNPFEDSA-N 1 1 270.401 3.945 20 30 CHEDMO C#CCOc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC001138560676 1131521431 /nfs/dbraw/zinc/52/14/31/1131521431.db2.gz GWSNIWRYFLENHF-FQEVSTJZSA-N 1 1 291.394 3.818 20 30 CHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001143726266 1131527553 /nfs/dbraw/zinc/52/75/53/1131527553.db2.gz JVDOYYAMXBIVIR-MLGOLLRUSA-N 1 1 274.795 3.976 20 30 CHEDMO COCC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143722861 1131527726 /nfs/dbraw/zinc/52/77/26/1131527726.db2.gz JOMFBCVQHLJUBM-AWEZNQCLSA-N 1 1 292.810 3.603 20 30 CHEDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143722861 1131527731 /nfs/dbraw/zinc/52/77/31/1131527731.db2.gz JOMFBCVQHLJUBM-AWEZNQCLSA-N 1 1 292.810 3.603 20 30 CHEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccccc2)c1O ZINC001138623868 1131528227 /nfs/dbraw/zinc/52/82/27/1131528227.db2.gz JNYOGKTZUNFUQK-UHFFFAOYSA-N 1 1 267.372 3.753 20 30 CHEDMO CC(C)[N@@H+](Cc1c(Cl)cccc1C#N)C1CCOCC1 ZINC001143732343 1131528578 /nfs/dbraw/zinc/52/85/78/1131528578.db2.gz OYVNILPMOJWSHN-UHFFFAOYSA-N 1 1 292.810 3.601 20 30 CHEDMO C[C@H]1C[N@H+](Cc2c(Cl)cccc2C#N)C2(CC2)C1 ZINC001143730858 1131528779 /nfs/dbraw/zinc/52/87/79/1131528779.db2.gz CRXBJAOXFYEFJC-LLVKDONJSA-N 1 1 260.768 3.586 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)C2(CC2)C1 ZINC001143730858 1131528783 /nfs/dbraw/zinc/52/87/83/1131528783.db2.gz CRXBJAOXFYEFJC-LLVKDONJSA-N 1 1 260.768 3.586 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000226108207 1131530684 /nfs/dbraw/zinc/53/06/84/1131530684.db2.gz ACWQQVULEMSFIX-NVXWUHKLSA-N 1 1 272.367 3.852 20 30 CHEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001138661803 1131533876 /nfs/dbraw/zinc/53/38/76/1131533876.db2.gz GWFHLQAZJIXSBH-INIZCTEOSA-N 1 1 277.383 3.966 20 30 CHEDMO FC1(F)C[C@@]12CCC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000844441035 1131565397 /nfs/dbraw/zinc/56/53/97/1131565397.db2.gz VTXQGCRLLWPYPS-OAHLLOKOSA-N 1 1 295.760 3.813 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(OCC)cc1OCC ZINC001138979669 1131568973 /nfs/dbraw/zinc/56/89/73/1131568973.db2.gz HAICDLGKGYDDDG-UHFFFAOYSA-N 1 1 275.392 3.658 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+](C)CCOc1ccccc1 ZINC001139029726 1131574333 /nfs/dbraw/zinc/57/43/33/1131574333.db2.gz JIOBTRZSJPMWEY-UHFFFAOYSA-N 1 1 297.398 3.762 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139030278 1131574674 /nfs/dbraw/zinc/57/46/74/1131574674.db2.gz IEYFSVRNJBMZRM-XGBSXSJOSA-N 1 1 282.387 3.518 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001139029552 1131575026 /nfs/dbraw/zinc/57/50/26/1131575026.db2.gz DEOWOLVRRILIAS-CQSZACIVSA-N 1 1 281.346 3.729 20 30 CHEDMO C=CCOc1ccccc1C[N@H+]1CCCCC12CC2 ZINC001139030899 1131575051 /nfs/dbraw/zinc/57/50/51/1131575051.db2.gz XTNDKGUIQBUPRD-UHFFFAOYSA-N 1 1 257.377 3.770 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1cnn(CCC)c1 ZINC001139040699 1131575973 /nfs/dbraw/zinc/57/59/73/1131575973.db2.gz MULPLQMXKRBMHJ-UHFFFAOYSA-N 1 1 251.418 3.695 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC001139070652 1131579667 /nfs/dbraw/zinc/57/96/67/1131579667.db2.gz QJLYFFZTAARJAG-UHFFFAOYSA-N 1 1 267.372 3.980 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)c(OC)n1 ZINC001139106610 1131582308 /nfs/dbraw/zinc/58/23/08/1131582308.db2.gz JUIFSYDMXYSNKQ-UHFFFAOYSA-N 1 1 280.412 3.501 20 30 CHEDMO C=C[C@@H](C)O[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000844625646 1131586968 /nfs/dbraw/zinc/58/69/68/1131586968.db2.gz SJWUDGBJVVNWAW-GFCCVEGCSA-N 1 1 264.394 3.663 20 30 CHEDMO C=CC[N@H+](C)Cc1cn(C)c2ccc(Br)cc12 ZINC001139218159 1131597937 /nfs/dbraw/zinc/59/79/37/1131597937.db2.gz GTOVMVNZCHBFJX-UHFFFAOYSA-N 1 1 293.208 3.559 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2)C1 ZINC001144221865 1131600808 /nfs/dbraw/zinc/60/08/08/1131600808.db2.gz JGVKVYNLSCVYEG-CYBMUJFWSA-N 1 1 292.220 3.603 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC001139332363 1131601879 /nfs/dbraw/zinc/60/18/79/1131601879.db2.gz PIWMIMUKOKISSL-UHFFFAOYSA-N 1 1 286.423 3.670 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc2cc(O)ccc2c1 ZINC001139338821 1131602709 /nfs/dbraw/zinc/60/27/09/1131602709.db2.gz IUVIOHLQQJGUAC-UHFFFAOYSA-N 1 1 255.361 3.943 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1ccc(-n2cccc2)cc1 ZINC001144246231 1131605328 /nfs/dbraw/zinc/60/53/28/1131605328.db2.gz YXHNAJFGJVDNLC-UHFFFAOYSA-N 1 1 267.376 3.603 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1ccc(-n2cccc2)cc1 ZINC001144246231 1131605331 /nfs/dbraw/zinc/60/53/31/1131605331.db2.gz YXHNAJFGJVDNLC-UHFFFAOYSA-N 1 1 267.376 3.603 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccc(-c2cnccn2)cc1 ZINC001139389210 1131606112 /nfs/dbraw/zinc/60/61/12/1131606112.db2.gz NPHFVZXYKBVDOX-UHFFFAOYSA-N 1 1 294.402 3.659 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(-c2cnccn2)cc1 ZINC001139389210 1131606117 /nfs/dbraw/zinc/60/61/17/1131606117.db2.gz NPHFVZXYKBVDOX-UHFFFAOYSA-N 1 1 294.402 3.659 20 30 CHEDMO CC(C)C[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400558 1131607114 /nfs/dbraw/zinc/60/71/14/1131607114.db2.gz WXEJPKJDMSOAGJ-UHFFFAOYSA-N 1 1 279.387 3.708 20 30 CHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400333 1131607323 /nfs/dbraw/zinc/60/73/23/1131607323.db2.gz OROFIJVSNDAIJA-HNNXBMFYSA-N 1 1 291.398 3.852 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139426710 1131608972 /nfs/dbraw/zinc/60/89/72/1131608972.db2.gz JPKBATUXYGUHKN-CQSZACIVSA-N 1 1 293.370 3.587 20 30 CHEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1 ZINC001202938333 1131609841 /nfs/dbraw/zinc/60/98/41/1131609841.db2.gz GPVHSCHGCWDHJG-AFYVEPGGSA-N 1 1 298.474 3.666 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139503857 1131611621 /nfs/dbraw/zinc/61/16/21/1131611621.db2.gz LBDZCAAMWSZTPV-AWEZNQCLSA-N 1 1 297.427 3.936 20 30 CHEDMO CCOc1ccc(C)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001139607467 1131621262 /nfs/dbraw/zinc/62/12/62/1131621262.db2.gz RILTYCFPKPEMQQ-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144391599 1131623576 /nfs/dbraw/zinc/62/35/76/1131623576.db2.gz RGWDXKDGFFLORO-NSHDSACASA-N 1 1 298.308 3.537 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144391599 1131623578 /nfs/dbraw/zinc/62/35/78/1131623578.db2.gz RGWDXKDGFFLORO-NSHDSACASA-N 1 1 298.308 3.537 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC001139647332 1131626430 /nfs/dbraw/zinc/62/64/30/1131626430.db2.gz WMMSHFPOTSPRNY-LLVKDONJSA-N 1 1 282.309 3.565 20 30 CHEDMO N#Cc1cccc2c(C[N@H+]3CC[C@@H]3c3ccccc3)c[nH]c21 ZINC001139706161 1131629868 /nfs/dbraw/zinc/62/98/68/1131629868.db2.gz MREXHKXFILDHKW-GOSISDBHSA-N 1 1 287.366 3.987 20 30 CHEDMO CCCCCCC[N@@H+](CC)Cc1cn2ccncc2n1 ZINC001139696789 1131629894 /nfs/dbraw/zinc/62/98/94/1131629894.db2.gz BCEUOHBMFGUUIV-UHFFFAOYSA-N 1 1 274.412 3.522 20 30 CHEDMO CCC[N@@H+](Cc1cccc(Cl)c1C#N)C1CCOCC1 ZINC001139693850 1131630485 /nfs/dbraw/zinc/63/04/85/1131630485.db2.gz SDSLZRLOOZHJGQ-UHFFFAOYSA-N 1 1 292.810 3.603 20 30 CHEDMO CCC[N@H+](Cc1c[nH]c2c1cccc2C#N)CC(C)C ZINC001139707219 1131631439 /nfs/dbraw/zinc/63/14/39/1131631439.db2.gz SPDVQEYVUNXXIS-UHFFFAOYSA-N 1 1 269.392 3.908 20 30 CHEDMO N#Cc1cccc2c(C[N@H+]3CCCC4(CCC4)C3)c[nH]c21 ZINC001139706985 1131631553 /nfs/dbraw/zinc/63/15/53/1131631553.db2.gz MNOUGYMOWJFJPQ-UHFFFAOYSA-N 1 1 279.387 3.806 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1C#N ZINC001139723205 1131632189 /nfs/dbraw/zinc/63/21/89/1131632189.db2.gz VTFATZUQWKYSHR-GOSISDBHSA-N 1 1 276.383 3.856 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc2cccnc2c1 ZINC001139743095 1131634580 /nfs/dbraw/zinc/63/45/80/1131634580.db2.gz VJEIZBZBNFRHHR-UHFFFAOYSA-N 1 1 289.382 3.818 20 30 CHEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001139875581 1131643562 /nfs/dbraw/zinc/64/35/62/1131643562.db2.gz UZTVPMWMFWSKKJ-INIZCTEOSA-N 1 1 294.373 3.762 20 30 CHEDMO C#Cc1ccc(C[N@@H+](CC)CCc2ccc(OC)cc2)cc1 ZINC001144579108 1131660504 /nfs/dbraw/zinc/66/05/04/1131660504.db2.gz YTZOKAYAWBVENC-UHFFFAOYSA-N 1 1 293.410 3.741 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)cc1 ZINC001144578472 1131660931 /nfs/dbraw/zinc/66/09/31/1131660931.db2.gz CPDCSUAUVRGMTM-IBGZPJMESA-N 1 1 276.383 3.708 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001144576524 1131661828 /nfs/dbraw/zinc/66/18/28/1131661828.db2.gz LXYMBSVIHVMAFC-MSOLQXFVSA-N 1 1 253.389 3.680 20 30 CHEDMO C#Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC001144576844 1131662351 /nfs/dbraw/zinc/66/23/51/1131662351.db2.gz SINZJZSDQZZKJU-IBGZPJMESA-N 1 1 293.435 3.958 20 30 CHEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000845928035 1131670689 /nfs/dbraw/zinc/67/06/89/1131670689.db2.gz MECJULHVLVFLJA-HOCLYGCPSA-N 1 1 264.457 3.584 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000845999850 1131677350 /nfs/dbraw/zinc/67/73/50/1131677350.db2.gz MSWUGZKTJLBJPU-UHFFFAOYSA-N 1 1 283.419 3.555 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001171209951 1131685203 /nfs/dbraw/zinc/68/52/03/1131685203.db2.gz NOXFOLCMBNXEEN-CYBMUJFWSA-N 1 1 292.373 3.856 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC001171210076 1131685385 /nfs/dbraw/zinc/68/53/85/1131685385.db2.gz PXRLWJUCRDSXQQ-ZDUSSCGKSA-N 1 1 282.412 3.609 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171210007 1131685586 /nfs/dbraw/zinc/68/55/86/1131685586.db2.gz OXMQJFDWNQVQSE-HNNXBMFYSA-N 1 1 294.398 3.630 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001171210831 1131686785 /nfs/dbraw/zinc/68/67/85/1131686785.db2.gz WXIZKEUVCQYBQQ-JCGIZDLHSA-N 1 1 268.404 3.611 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccccc1-c1cnc(N)nc1 ZINC001140325105 1131697659 /nfs/dbraw/zinc/69/76/59/1131697659.db2.gz JDPOOZBTOKPMMT-UHFFFAOYSA-N 1 1 296.418 3.514 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001140337184 1131702486 /nfs/dbraw/zinc/70/24/86/1131702486.db2.gz GGVHIXYLCAHXCR-AWEZNQCLSA-N 1 1 297.427 3.936 20 30 CHEDMO CCCC[N@@H+](CCC#N)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171220677 1131706307 /nfs/dbraw/zinc/70/63/07/1131706307.db2.gz DGEJHEBHFVJQAG-HNNXBMFYSA-N 1 1 269.392 3.505 20 30 CHEDMO CC[C@H]1CCCC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171222931 1131707028 /nfs/dbraw/zinc/70/70/28/1131707028.db2.gz JUKKLVWSSRUOQA-PBHICJAKSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ccc(F)cc2C1 ZINC001171222977 1131707543 /nfs/dbraw/zinc/70/75/43/1131707543.db2.gz KWJUWVFHGKCBAF-AWEZNQCLSA-N 1 1 294.373 3.687 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140380703 1131709009 /nfs/dbraw/zinc/70/90/09/1131709009.db2.gz ALIQQETYXIPGGG-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229362 1131712205 /nfs/dbraw/zinc/71/22/05/1131712205.db2.gz MPDGPKBKTHELCK-YOEHRIQHSA-N 1 1 256.393 3.610 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC001171229278 1131712573 /nfs/dbraw/zinc/71/25/73/1131712573.db2.gz LLASDMMPYJPESL-AWEZNQCLSA-N 1 1 294.373 3.687 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000847031783 1131772884 /nfs/dbraw/zinc/77/28/84/1131772884.db2.gz UUBQCWZLPAVOPE-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000847031783 1131772889 /nfs/dbraw/zinc/77/28/89/1131772889.db2.gz UUBQCWZLPAVOPE-GFCCVEGCSA-N 1 1 288.441 3.717 20 30 CHEDMO C=CC[N@H+]([C@H]1CC[NH2+][C@H](CCCC)C1)C(C)(C)C ZINC001246921281 1131816990 /nfs/dbraw/zinc/81/69/90/1131816990.db2.gz PDNDSCIZNSZLRC-CABCVRRESA-N 1 1 252.446 3.584 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001140538821 1131784364 /nfs/dbraw/zinc/78/43/64/1131784364.db2.gz MJQZMVMIYQLRDB-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001140538821 1131784368 /nfs/dbraw/zinc/78/43/68/1131784368.db2.gz MJQZMVMIYQLRDB-NSHDSACASA-N 1 1 266.747 3.605 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1 ZINC001140576816 1131802968 /nfs/dbraw/zinc/80/29/68/1131802968.db2.gz BNFULVJVHYTQQU-UHFFFAOYSA-N 1 1 267.372 3.889 20 30 CHEDMO COc1cc2c(cc1O[C@H](C)CC(C)(C)S)C=[NH+]CC2 ZINC001228092010 1131808871 /nfs/dbraw/zinc/80/88/71/1131808871.db2.gz MXKFHEIIGZXNFL-LLVKDONJSA-N 1 1 293.432 3.536 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001171299440 1131814802 /nfs/dbraw/zinc/81/48/02/1131814802.db2.gz ZEMFUTDRDLOKDD-HZPDHXFCSA-N 1 1 271.408 3.600 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Cl)CCC1(F)F ZINC001140599492 1131819763 /nfs/dbraw/zinc/81/97/63/1131819763.db2.gz FTCOUEMRDPNXQP-SNVBAGLBSA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC1(F)F ZINC001140599492 1131819777 /nfs/dbraw/zinc/81/97/77/1131819777.db2.gz FTCOUEMRDPNXQP-SNVBAGLBSA-N 1 1 284.737 3.689 20 30 CHEDMO C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Cl ZINC001140599812 1131820351 /nfs/dbraw/zinc/82/03/51/1131820351.db2.gz RVRQIEQMBBOSLZ-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Cl ZINC001140599812 1131820357 /nfs/dbraw/zinc/82/03/57/1131820357.db2.gz RVRQIEQMBBOSLZ-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140601283 1131821003 /nfs/dbraw/zinc/82/10/03/1131821003.db2.gz LOXVCVDRDPNUOC-NWDGAFQWSA-N 1 1 262.784 3.832 20 30 CHEDMO CCCCC[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140599994 1131821544 /nfs/dbraw/zinc/82/15/44/1131821544.db2.gz YXEGWQXIKLHTPT-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140601580 1131822325 /nfs/dbraw/zinc/82/23/25/1131822325.db2.gz UITWNPYIUZCBBU-OAHLLOKOSA-N 1 1 292.810 3.601 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001140601396 1131823635 /nfs/dbraw/zinc/82/36/35/1131823635.db2.gz QOFDDWOJKIQXIS-NSHDSACASA-N 1 1 288.700 3.596 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001140601396 1131823643 /nfs/dbraw/zinc/82/36/43/1131823643.db2.gz QOFDDWOJKIQXIS-NSHDSACASA-N 1 1 288.700 3.596 20 30 CHEDMO CC[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](CC)O1 ZINC001171321221 1131843360 /nfs/dbraw/zinc/84/33/60/1131843360.db2.gz NDOHKLFUBSULDO-IYBDPMFKSA-N 1 1 278.440 3.740 20 30 CHEDMO N#Cc1c(C[N@H+]2CCCC3(CCC3)C2)cn2ccccc12 ZINC000348176731 1131899281 /nfs/dbraw/zinc/89/92/81/1131899281.db2.gz GIKBQGZDRPKOFF-UHFFFAOYSA-N 1 1 279.387 3.577 20 30 CHEDMO C=CC[N@@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348188245 1131902821 /nfs/dbraw/zinc/90/28/21/1131902821.db2.gz RJCNFYVTLCMKEA-UHFFFAOYSA-N 1 1 295.308 3.509 20 30 CHEDMO C=CC[N@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348188245 1131902830 /nfs/dbraw/zinc/90/28/30/1131902830.db2.gz RJCNFYVTLCMKEA-UHFFFAOYSA-N 1 1 295.308 3.509 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000773003931 1131915973 /nfs/dbraw/zinc/91/59/73/1131915973.db2.gz IRUQAHJZIWOAMT-LBPRGKRZSA-N 1 1 275.783 3.584 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1Cl)C1CCCCC1 ZINC001140806713 1131928161 /nfs/dbraw/zinc/92/81/61/1131928161.db2.gz OVXXRWYHEWFANY-UHFFFAOYSA-N 1 1 262.784 3.976 20 30 CHEDMO CCCCC[N@@H+](C)Cc1cccc(C#N)c1Cl ZINC001140806512 1131928375 /nfs/dbraw/zinc/92/83/75/1131928375.db2.gz LLBQJLLTGIEUBN-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO C[N@H+](Cc1cccs1)Cc1cccc(C#N)c1Cl ZINC001140811414 1131932821 /nfs/dbraw/zinc/93/28/21/1131932821.db2.gz SDWPHUFRHDIEJT-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO C[N@@H+](Cc1cccs1)Cc1cccc(C#N)c1Cl ZINC001140811414 1131932828 /nfs/dbraw/zinc/93/28/28/1131932828.db2.gz SDWPHUFRHDIEJT-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](F)CC2)c1Cl ZINC001140808416 1131933541 /nfs/dbraw/zinc/93/35/41/1131933541.db2.gz RUTHQJFLZCEIMS-CYBMUJFWSA-N 1 1 266.747 3.536 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(N)cccc1F ZINC001140874635 1131953970 /nfs/dbraw/zinc/95/39/70/1131953970.db2.gz DGGSSVCNUHHFBJ-UHFFFAOYSA-N 1 1 252.377 3.810 20 30 CHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3ccc(C#N)cc3c1)C2 ZINC001228970261 1131988593 /nfs/dbraw/zinc/98/85/93/1131988593.db2.gz SOHJQLWGPSPVCI-DZFIZOCASA-N 1 1 292.382 3.715 20 30 CHEDMO C=C[C@@H](C)Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229057129 1132009442 /nfs/dbraw/zinc/00/94/42/1132009442.db2.gz CIVJSRSESOFYHF-OAHLLOKOSA-N 1 1 294.398 3.593 20 30 CHEDMO C=C[C@@H](C)Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229057129 1132009447 /nfs/dbraw/zinc/00/94/47/1132009447.db2.gz CIVJSRSESOFYHF-OAHLLOKOSA-N 1 1 294.398 3.593 20 30 CHEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001141166852 1132034749 /nfs/dbraw/zinc/03/47/49/1132034749.db2.gz KPGSJFGZFDABTE-IYBDPMFKSA-N 1 1 292.357 3.784 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1ccc(-c2ncccn2)cc1 ZINC001141190364 1132037705 /nfs/dbraw/zinc/03/77/05/1132037705.db2.gz CYVXFALXAYPPLV-UHFFFAOYSA-N 1 1 281.403 3.932 20 30 CHEDMO Cc1cccc2c1CC[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001171569781 1132059351 /nfs/dbraw/zinc/05/93/51/1132059351.db2.gz BJLNZNYGUISJIH-LJQANCHMSA-N 1 1 290.410 3.856 20 30 CHEDMO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001171680343 1132079099 /nfs/dbraw/zinc/07/90/99/1132079099.db2.gz QGTKOHCSYFWNGO-FUHWJXTLSA-N 1 1 270.420 3.942 20 30 CHEDMO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001171681379 1132079947 /nfs/dbraw/zinc/07/99/47/1132079947.db2.gz GALZCEGAXHUIOK-DOTOQJQBSA-N 1 1 256.393 3.552 20 30 CHEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC001248748521 1132084665 /nfs/dbraw/zinc/08/46/65/1132084665.db2.gz MDXVPIRWFPOABL-CQSZACIVSA-N 1 1 256.393 3.743 20 30 CHEDMO C=C1CC=C(F)C=C1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171735474 1132098101 /nfs/dbraw/zinc/09/81/01/1132098101.db2.gz WLCFLNRTAYNGNT-QAPCUYQASA-N 1 1 298.405 3.936 20 30 CHEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001171879040 1132109396 /nfs/dbraw/zinc/10/93/96/1132109396.db2.gz MFZBAZDBKXCQSC-MRXNPFEDSA-N 1 1 282.472 3.536 20 30 CHEDMO C=CC[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H](C)COC ZINC001171917118 1132109465 /nfs/dbraw/zinc/10/94/65/1132109465.db2.gz UVHLTNPFUMBRBE-KBMXLJTQSA-N 1 1 295.373 3.558 20 30 CHEDMO C=C(C)C[N@H+](CC)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171931221 1132114865 /nfs/dbraw/zinc/11/48/65/1132114865.db2.gz YXBXDDAJHQDJQG-UHFFFAOYSA-N 1 1 281.440 3.785 20 30 CHEDMO CC[C@@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973901 1132117982 /nfs/dbraw/zinc/11/79/82/1132117982.db2.gz AVTRMEKWDXNHFG-ZWKOTPCHSA-N 1 1 299.462 3.711 20 30 CHEDMO CCCCCCC/C=C/CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156947 1132122788 /nfs/dbraw/zinc/12/27/88/1132122788.db2.gz UQGJPFSHRQBAGV-OFTJQPPSSA-N 1 1 270.436 3.664 20 30 CHEDMO CCCCCCC/C=C/C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156947 1132122791 /nfs/dbraw/zinc/12/27/91/1132122791.db2.gz UQGJPFSHRQBAGV-OFTJQPPSSA-N 1 1 270.436 3.664 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156947 1132122793 /nfs/dbraw/zinc/12/27/93/1132122793.db2.gz UQGJPFSHRQBAGV-OFTJQPPSSA-N 1 1 270.436 3.664 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ccncc1 ZINC001172305238 1132153629 /nfs/dbraw/zinc/15/36/29/1132153629.db2.gz CLDHAEALGIAGBG-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO CCC[N@@H+]([C@H](C)CC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172308851 1132153845 /nfs/dbraw/zinc/15/38/45/1132153845.db2.gz NVVVAJKIZDUGKJ-HUUCEWRRSA-N 1 1 258.409 4.000 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(F)c1 ZINC001172313379 1132155286 /nfs/dbraw/zinc/15/52/86/1132155286.db2.gz VXRNNSRTJMJCEP-OAHLLOKOSA-N 1 1 296.389 3.803 20 30 CHEDMO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(Cl)n1 ZINC000838911751 1132156340 /nfs/dbraw/zinc/15/63/40/1132156340.db2.gz AIDZWGGGUGTFJZ-UHFFFAOYSA-N 1 1 297.789 3.694 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172315995 1132156516 /nfs/dbraw/zinc/15/65/16/1132156516.db2.gz QPQGRALZYCPYQJ-HNNXBMFYSA-N 1 1 294.398 3.630 20 30 CHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001172321007 1132158987 /nfs/dbraw/zinc/15/89/87/1132158987.db2.gz XXYSZAXOPAYWHC-RBSFLKMASA-N 1 1 256.393 3.610 20 30 CHEDMO CC[C@@H](C)OCC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001172338840 1132176494 /nfs/dbraw/zinc/17/64/94/1132176494.db2.gz CXYRUPGIHQXNKA-LSDHHAIUSA-N 1 1 266.429 3.738 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001172354547 1132184515 /nfs/dbraw/zinc/18/45/15/1132184515.db2.gz JOUBXUKHMXEAJN-GVDBMIGSSA-N 1 1 266.473 3.761 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001172357260 1132185536 /nfs/dbraw/zinc/18/55/36/1132185536.db2.gz KISTXNCKLDYUNI-ZNMIVQPWSA-N 1 1 259.409 3.530 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC2(COC2)C1 ZINC001172357890 1132186624 /nfs/dbraw/zinc/18/66/24/1132186624.db2.gz MMHRROLLYUIOTN-HNNXBMFYSA-N 1 1 253.430 3.848 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001172358602 1132187232 /nfs/dbraw/zinc/18/72/32/1132187232.db2.gz QWYPCTMWCUFHOK-XMTFNYHQSA-N 1 1 297.483 3.597 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001172359680 1132188079 /nfs/dbraw/zinc/18/80/79/1132188079.db2.gz ZQHNUEQQXWPTNX-IAGOWNOFSA-N 1 1 283.456 3.617 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141586212 1132191238 /nfs/dbraw/zinc/19/12/38/1132191238.db2.gz XHPYQEWEMRZBAC-GFCCVEGCSA-N 1 1 287.794 3.947 20 30 CHEDMO Cc1cc(C#N)ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001230682019 1132205764 /nfs/dbraw/zinc/20/57/64/1132205764.db2.gz CSQINVHPQUGRAY-FVQHAEBGSA-N 1 1 284.403 3.649 20 30 CHEDMO C=CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000839466437 1132217439 /nfs/dbraw/zinc/21/74/39/1132217439.db2.gz AEUUEVRUBSMFJJ-OAHLLOKOSA-N 1 1 296.455 3.530 20 30 CHEDMO Cc1[nH]c2ccc(Nc3nc(Cl)ccc3C#N)cc2[nH+]1 ZINC001213071434 1132222054 /nfs/dbraw/zinc/22/20/54/1132222054.db2.gz RZBXRYVEQYYEAR-UHFFFAOYSA-N 1 1 283.722 3.535 20 30 CHEDMO CC(C)CC[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C 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CCCCCCCC[C@@H](CC)n1c(C)ncc(C[NH3+])c1=N ZINC001172504416 1132254953 /nfs/dbraw/zinc/25/49/53/1132254953.db2.gz YPCLNCRJECRVHP-MRXNPFEDSA-N 1 1 292.471 3.831 20 30 CHEDMO COc1cccc([C@H]2CC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172508681 1132257284 /nfs/dbraw/zinc/25/72/84/1132257284.db2.gz FUOIVGIWIFGMBZ-ZBFHGGJFSA-N 1 1 272.392 3.567 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001172508878 1132258097 /nfs/dbraw/zinc/25/80/97/1132258097.db2.gz PXZXUSDXTJICSZ-KSZLIROESA-N 1 1 296.499 3.530 20 30 CHEDMO CSc1nc(C[N@@H+](C)Cc2cccc(C)c2)ccc1C#N ZINC001141928878 1132269128 /nfs/dbraw/zinc/26/91/28/1132269128.db2.gz BDOFRKHAWBMTOO-UHFFFAOYSA-N 1 1 297.427 3.616 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565156 1132270935 /nfs/dbraw/zinc/27/09/35/1132270935.db2.gz SBQYCRWFTQPGRW-CGTJXYLNSA-N 1 1 253.389 3.668 20 30 CHEDMO CC1(C)CC([N@H+]2CCc3ccc(C#N)cc3C2)CC(C)(C)O1 ZINC001172655638 1132289375 /nfs/dbraw/zinc/28/93/75/1132289375.db2.gz ANDGRNSBKYVWTB-UHFFFAOYSA-N 1 1 298.430 3.653 20 30 CHEDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1C ZINC001231483836 1132302122 /nfs/dbraw/zinc/30/21/22/1132302122.db2.gz BHLPKNNVHFIEBD-INIZCTEOSA-N 1 1 256.393 3.738 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@](C)(F)C2)c1 ZINC001231621191 1132324894 /nfs/dbraw/zinc/32/48/94/1132324894.db2.gz SIGBXRDMKZVZKK-KRWDZBQOSA-N 1 1 277.383 3.966 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001231620356 1132326149 /nfs/dbraw/zinc/32/61/49/1132326149.db2.gz WWODVNWJCJYZPG-QGZVFWFLSA-N 1 1 298.430 3.969 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC3CCC2CC3)c1 ZINC001231625630 1132327868 /nfs/dbraw/zinc/32/78/68/1132327868.db2.gz YHCNRHDAFIYGJT-UHFFFAOYSA-N 1 1 257.377 3.626 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1 ZINC001231624045 1132328365 /nfs/dbraw/zinc/32/83/65/1132328365.db2.gz DXBHEEYUWZEVTI-CABCVRRESA-N 1 1 259.393 3.872 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001231624823 1132329103 /nfs/dbraw/zinc/32/91/03/1132329103.db2.gz XNDSFRQOYRLDRM-UHFFFAOYSA-N 1 1 295.382 3.515 20 30 CHEDMO C=CCOc1cccc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001231623746 1132329294 /nfs/dbraw/zinc/32/92/94/1132329294.db2.gz TUZIWJQIFIYDOS-UHFFFAOYSA-N 1 1 284.403 3.910 20 30 CHEDMO C=CCOc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001231623746 1132329301 /nfs/dbraw/zinc/32/93/01/1132329301.db2.gz TUZIWJQIFIYDOS-UHFFFAOYSA-N 1 1 284.403 3.910 20 30 CHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCC)nc1 ZINC001231655853 1132337369 /nfs/dbraw/zinc/33/73/69/1132337369.db2.gz HYBUNJKNKYRDBA-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC)nc1 ZINC001231655853 1132337374 /nfs/dbraw/zinc/33/73/74/1132337374.db2.gz HYBUNJKNKYRDBA-UHFFFAOYSA-N 1 1 282.387 3.669 20 30 CHEDMO C#Cc1cccc(C[N@@H+](C)CCc2ccc(C)cc2)c1 ZINC001231662089 1132339016 /nfs/dbraw/zinc/33/90/16/1132339016.db2.gz DRVIJRXRQPNHPO-UHFFFAOYSA-N 1 1 263.384 3.651 20 30 CHEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001231660548 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CC(C)COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000353407174 263002714 /nfs/dbraw/zinc/00/27/14/263002714.db2.gz WIVUCIULNBUFAT-UHFFFAOYSA-N 1 1 286.419 3.847 20 30 CHEDMO C=CC[N@@H+](CCCC(C)(C)C#N)CCc1ccco1 ZINC000272256520 263002860 /nfs/dbraw/zinc/00/28/60/263002860.db2.gz JFJQVXLSZRDNPL-UHFFFAOYSA-N 1 1 260.381 3.640 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963116 263015559 /nfs/dbraw/zinc/01/55/59/263015559.db2.gz HBRHYTAVPROKFO-INIZCTEOSA-N 1 1 280.481 3.926 20 30 CHEDMO C[C@H](c1cccnc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277592434 263042051 /nfs/dbraw/zinc/04/20/51/263042051.db2.gz DJEJMGDARPOJQW-CQSZACIVSA-N 1 1 259.397 3.794 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000277638966 263042586 /nfs/dbraw/zinc/04/25/86/263042586.db2.gz HJUIHJIIAPMQRX-CQSZACIVSA-N 1 1 292.448 3.841 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000277638966 263042587 /nfs/dbraw/zinc/04/25/87/263042587.db2.gz HJUIHJIIAPMQRX-CQSZACIVSA-N 1 1 292.448 3.841 20 30 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ZINC000527945270 330294222 /nfs/dbraw/zinc/29/42/22/330294222.db2.gz FKKDVBUYOULOHV-DNVCBOLYSA-N 1 1 297.446 3.616 20 30 CHEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000532977296 330323687 /nfs/dbraw/zinc/32/36/87/330323687.db2.gz JZFKVPVNPSIVQH-UHFFFAOYSA-N 1 1 282.387 3.676 20 30 CHEDMO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](C)S1 ZINC000533019310 330324494 /nfs/dbraw/zinc/32/44/94/330324494.db2.gz VRDQOSICACREDZ-BETUJISGSA-N 1 1 279.836 3.517 20 30 CHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000071029227 330324694 /nfs/dbraw/zinc/32/46/94/330324694.db2.gz NPCOROIABDQKTL-OAHLLOKOSA-N 1 1 274.383 3.955 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)nn1 ZINC000424290767 330334712 /nfs/dbraw/zinc/33/47/12/330334712.db2.gz CETRQDOGWXUYOM-QGZVFWFLSA-N 1 1 298.434 3.731 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](C)c2cc3ccccc3s2)nn1 ZINC000424297885 330336503 /nfs/dbraw/zinc/33/65/03/330336503.db2.gz RGLWWOYOLHHYFX-GFCCVEGCSA-N 1 1 298.415 3.530 20 30 CHEDMO 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/nfs/dbraw/zinc/71/48/03/1126714803.db2.gz NPPMPYYBOWGYHS-UHFFFAOYSA-N 1 1 281.403 3.613 20 30 CHEDMO CCCCCCCC[C@H]([NH3+])c1nc(C[C@@H]2CCCO2)no1 ZINC000899998705 1126722502 /nfs/dbraw/zinc/72/25/02/1126722502.db2.gz SZZIROHUOVMEAZ-KBPBESRZSA-N 1 1 295.427 3.542 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000338306545 1126732958 /nfs/dbraw/zinc/73/29/58/1126732958.db2.gz LVKQIBUCDAWPLC-UHFFFAOYSA-N 1 1 270.376 3.647 20 30 CHEDMO C=CCC1(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCCC1 ZINC001274215284 1126741317 /nfs/dbraw/zinc/74/13/17/1126741317.db2.gz SGHFGJCDDAIPIN-UHFFFAOYSA-N 1 1 283.375 3.718 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCc2ccccc21 ZINC000404719290 1126751402 /nfs/dbraw/zinc/75/14/02/1126751402.db2.gz SSGFFSSTMDGXHX-OAHLLOKOSA-N 1 1 270.420 3.978 20 30 CHEDMO CCCCCCCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224570877 1126752173 /nfs/dbraw/zinc/75/21/73/1126752173.db2.gz VZXPIOFLRIZBLR-MUJYYYPQSA-N 1 1 253.430 3.989 20 30 CHEDMO CCSCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000159768965 1126752934 /nfs/dbraw/zinc/75/29/34/1126752934.db2.gz QYVZSZHIWWIWLI-UHFFFAOYSA-N 1 1 262.422 3.522 20 30 CHEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000429566786 1126763660 /nfs/dbraw/zinc/76/36/60/1126763660.db2.gz LQCATHYOCWJSRW-DZGCQCFKSA-N 1 1 261.796 3.812 20 30 CHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC001204015598 1126769884 /nfs/dbraw/zinc/76/98/84/1126769884.db2.gz IAHJIVCUWMXRLI-OAHLLOKOSA-N 1 1 298.411 3.663 20 30 CHEDMO Cc1csc([C@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000174542415 1126771435 /nfs/dbraw/zinc/77/14/35/1126771435.db2.gz KRUVNFGCHZTMBU-OAHLLOKOSA-N 1 1 283.400 3.564 20 30 CHEDMO CC[N@H+](Cc1ccccc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000174614424 1126772050 /nfs/dbraw/zinc/77/20/50/1126772050.db2.gz WSKXRKMCPVZZEX-AWEZNQCLSA-N 1 1 280.371 3.847 20 30 CHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000174614424 1126772053 /nfs/dbraw/zinc/77/20/53/1126772053.db2.gz WSKXRKMCPVZZEX-AWEZNQCLSA-N 1 1 280.371 3.847 20 30 CHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000174833599 1126773945 /nfs/dbraw/zinc/77/39/45/1126773945.db2.gz XMYIIVURMDFHSV-DOTOQJQBSA-N 1 1 286.419 3.778 20 30 CHEDMO COC1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCCC1 ZINC000483254686 1126775933 /nfs/dbraw/zinc/77/59/33/1126775933.db2.gz NLMAWTUVFJETCU-UHFFFAOYSA-N 1 1 296.414 3.607 20 30 CHEDMO Cn1cc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000483258726 1126776656 /nfs/dbraw/zinc/77/66/56/1126776656.db2.gz VGYRFADWQVXNKU-HNNXBMFYSA-N 1 1 299.805 3.540 20 30 CHEDMO C=CCCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827974269 1126782768 /nfs/dbraw/zinc/78/27/68/1126782768.db2.gz WDISJAANVMSVER-UHFFFAOYSA-N 1 1 296.455 3.674 20 30 CHEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1cccc(F)c1 ZINC000483532960 1126792240 /nfs/dbraw/zinc/79/22/40/1126792240.db2.gz XZDVWCLLJYUUJB-UHFFFAOYSA-N 1 1 267.347 3.699 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)c(F)c1 ZINC000903100234 1126794016 /nfs/dbraw/zinc/79/40/16/1126794016.db2.gz LAMVHKQBTAICCQ-SECBINFHSA-N 1 1 299.187 3.789 20 30 CHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000483695583 1126797832 /nfs/dbraw/zinc/79/78/32/1126797832.db2.gz BETFLVVFGGNBMJ-SFHVURJKSA-N 1 1 294.373 3.995 20 30 CHEDMO Cc1cccc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000483700265 1126797992 /nfs/dbraw/zinc/79/79/92/1126797992.db2.gz KAOYGXLOPHDWBP-FQEVSTJZSA-N 1 1 275.395 3.836 20 30 CHEDMO C(#Cc1ccccc1)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000483936169 1126805855 /nfs/dbraw/zinc/80/58/55/1126805855.db2.gz YNRXXVWUGGJSTA-LJQANCHMSA-N 1 1 293.435 3.828 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000483936169 1126805858 /nfs/dbraw/zinc/80/58/58/1126805858.db2.gz YNRXXVWUGGJSTA-LJQANCHMSA-N 1 1 293.435 3.828 20 30 CHEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000484347589 1126815023 /nfs/dbraw/zinc/81/50/23/1126815023.db2.gz HFOFXDJEJWVPPY-OAHLLOKOSA-N 1 1 295.348 3.949 20 30 CHEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000484347589 1126815025 /nfs/dbraw/zinc/81/50/25/1126815025.db2.gz HFOFXDJEJWVPPY-OAHLLOKOSA-N 1 1 295.348 3.949 20 30 CHEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224708012 1126816795 /nfs/dbraw/zinc/81/67/95/1126816795.db2.gz VPSNVVLVPIZJSI-QAETUUGQSA-N 1 1 265.441 3.868 20 30 CHEDMO CC(C)n1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000178756669 1126818813 /nfs/dbraw/zinc/81/88/13/1126818813.db2.gz ZQXVONPGYMPNQV-KRWDZBQOSA-N 1 1 282.391 3.599 20 30 CHEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000793526206 1130563614 /nfs/dbraw/zinc/56/36/14/1130563614.db2.gz KXLSAOPFKPBECS-SJORKVTESA-N 1 1 266.473 3.833 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OC)cc1 ZINC000179327869 1126826227 /nfs/dbraw/zinc/82/62/27/1126826227.db2.gz FQGQWEVDWLPRCP-UHFFFAOYSA-N 1 1 286.400 3.650 20 30 CHEDMO CC[N@H+](Cc1ncc(C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000180445288 1126844904 /nfs/dbraw/zinc/84/49/04/1126844904.db2.gz KHFGDZOZJLAISS-CYBMUJFWSA-N 1 1 285.416 3.906 20 30 CHEDMO CC[N@@H+](Cc1ncc(C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000180445288 1126844908 /nfs/dbraw/zinc/84/49/08/1126844908.db2.gz KHFGDZOZJLAISS-CYBMUJFWSA-N 1 1 285.416 3.906 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(F)c2)no1 ZINC000904544947 1126856417 /nfs/dbraw/zinc/85/64/17/1126856417.db2.gz AQSROFPSSLMFFQ-ZDUSSCGKSA-N 1 1 275.327 3.540 20 30 CHEDMO CCn1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000181578340 1126858123 /nfs/dbraw/zinc/85/81/23/1126858123.db2.gz UOFPFWJLCKKLPT-RHSMWYFYSA-N 1 1 282.391 3.599 20 30 CHEDMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000181812482 1126861521 /nfs/dbraw/zinc/86/15/21/1126861521.db2.gz UWWVPCCDFKQBND-CXAGYDPISA-N 1 1 298.386 3.752 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC000904602868 1126861661 /nfs/dbraw/zinc/86/16/61/1126861661.db2.gz WJSUHNRKLZJLQE-CQSZACIVSA-N 1 1 271.364 3.710 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)c2ccccc2C)no1 ZINC000904632964 1126864048 /nfs/dbraw/zinc/86/40/48/1126864048.db2.gz FAHCKVOUEGPGFT-DZGCQCFKSA-N 1 1 285.391 3.886 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C(C)C)nc2)no1 ZINC000904695334 1126867824 /nfs/dbraw/zinc/86/78/24/1126867824.db2.gz NYCMALFHMVLOMR-ZDUSSCGKSA-N 1 1 286.379 3.611 20 30 CHEDMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000182451270 1126871904 /nfs/dbraw/zinc/87/19/04/1126871904.db2.gz NLTASBZMJREMEB-LBPRGKRZSA-N 1 1 285.416 3.909 20 30 CHEDMO Cc1cnc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)s1 ZINC000184996199 1126897848 /nfs/dbraw/zinc/89/78/48/1126897848.db2.gz JSLXTXXBBCRDDT-GFCCVEGCSA-N 1 1 290.819 3.807 20 30 CHEDMO C=CCCC[C@H](c1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905329931 1126898977 /nfs/dbraw/zinc/89/89/77/1126898977.db2.gz GJVZMDCWQIDOJN-AWEZNQCLSA-N 1 1 283.375 3.506 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000189896953 1126936280 /nfs/dbraw/zinc/93/62/80/1126936280.db2.gz SDVULCKJJAWBLQ-INIZCTEOSA-N 1 1 297.446 3.570 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCN[C@@H](CC)C1 ZINC001235724597 1130772720 /nfs/dbraw/zinc/77/27/20/1130772720.db2.gz QYMJTQNITWXJSZ-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCN[C@@H](CC)C1 ZINC001235724597 1130772722 /nfs/dbraw/zinc/77/27/22/1130772722.db2.gz QYMJTQNITWXJSZ-INIZCTEOSA-N 1 1 252.446 3.587 20 30 CHEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000485701881 1126945833 /nfs/dbraw/zinc/94/58/33/1126945833.db2.gz MDIDGALZBILYIK-UHFFFAOYSA-N 1 1 282.412 3.795 20 30 CHEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000485701881 1126945835 /nfs/dbraw/zinc/94/58/35/1126945835.db2.gz MDIDGALZBILYIK-UHFFFAOYSA-N 1 1 282.412 3.795 20 30 CHEDMO C[N@@H+](CCCSCC#N)Cc1ccc2ccccc2c1 ZINC000266731839 1126987292 /nfs/dbraw/zinc/98/72/92/1126987292.db2.gz MBDSHYVXDULYIM-UHFFFAOYSA-N 1 1 284.428 3.918 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267442010 1127000772 /nfs/dbraw/zinc/00/07/72/1127000772.db2.gz IMNAVUVAVRZLBA-ZIAGYGMSSA-N 1 1 265.422 3.602 20 30 CHEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000043643127 1127005595 /nfs/dbraw/zinc/00/55/95/1127005595.db2.gz YRKGBTPMGFNLQM-UHFFFAOYSA-N 1 1 262.356 3.723 20 30 CHEDMO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000043643127 1127005598 /nfs/dbraw/zinc/00/55/98/1127005598.db2.gz YRKGBTPMGFNLQM-UHFFFAOYSA-N 1 1 262.356 3.723 20 30 CHEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccccc1C#N ZINC000042268134 1127035667 /nfs/dbraw/zinc/03/56/67/1127035667.db2.gz CJGOPJCUMYEWEU-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccccc1C#N ZINC000042268134 1127035671 /nfs/dbraw/zinc/03/56/71/1127035671.db2.gz CJGOPJCUMYEWEU-UHFFFAOYSA-N 1 1 270.763 3.844 20 30 CHEDMO C[C@H](CC#N)[N@H+](C)CCc1cc(Cl)ccc1Cl ZINC000488231461 1127063875 /nfs/dbraw/zinc/06/38/75/1127063875.db2.gz MTDAQYFJBCSXFQ-SNVBAGLBSA-N 1 1 271.191 3.770 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000488231461 1127063879 /nfs/dbraw/zinc/06/38/79/1127063879.db2.gz MTDAQYFJBCSXFQ-SNVBAGLBSA-N 1 1 271.191 3.770 20 30 CHEDMO Cc1cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)ccc1C#N ZINC000488249839 1127065518 /nfs/dbraw/zinc/06/55/18/1127065518.db2.gz OKQGVBMYWSSSIJ-OAHLLOKOSA-N 1 1 292.382 3.650 20 30 CHEDMO C=CCCCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000488301211 1127071114 /nfs/dbraw/zinc/07/11/14/1127071114.db2.gz SRKUJZSFWOTGJN-UHFFFAOYSA-N 1 1 295.430 3.977 20 30 CHEDMO Cc1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)ccc1C#N ZINC000488290484 1127071155 /nfs/dbraw/zinc/07/11/55/1127071155.db2.gz VISWFBJIGHPFPM-OAHLLOKOSA-N 1 1 254.377 3.655 20 30 CHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H]1CC[C@H](C#N)C1 ZINC000339113676 1127113135 /nfs/dbraw/zinc/11/31/35/1127113135.db2.gz IIAOFOMTMFKAMR-ZFWWWQNUSA-N 1 1 267.376 3.682 20 30 CHEDMO C=CCc1cc(C[N@H+](CCC)C2CC2)c(O)c(OC)c1 ZINC000164293465 1127160766 /nfs/dbraw/zinc/16/07/66/1127160766.db2.gz YTDFUGDCRIVGSK-UHFFFAOYSA-N 1 1 275.392 3.504 20 30 CHEDMO C=CCCCCCCCCN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380208 1131092041 /nfs/dbraw/zinc/09/20/41/1131092041.db2.gz FZKSWQRWTQVONU-QZTJIDSGSA-N 1 1 278.484 3.977 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000350266042 1127176406 /nfs/dbraw/zinc/17/64/06/1127176406.db2.gz MDALIPRGMADBIC-UHFFFAOYSA-N 1 1 271.282 3.578 20 30 CHEDMO C=CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 ZINC000350271999 1127176532 /nfs/dbraw/zinc/17/65/32/1127176532.db2.gz WLTDLLVIBOQIHY-UHFFFAOYSA-N 1 1 281.783 3.508 20 30 CHEDMO C=CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C(C)(C)C ZINC001237535659 1131111163 /nfs/dbraw/zinc/11/11/63/1131111163.db2.gz BXRXVANDHRCRFQ-UHFFFAOYSA-N 1 1 264.319 3.623 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000588204778 1127181081 /nfs/dbraw/zinc/18/10/81/1127181081.db2.gz OCIRGUNKRBERJC-LIRRHRJNSA-N 1 1 291.398 3.845 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000351470734 1127188907 /nfs/dbraw/zinc/18/89/07/1127188907.db2.gz FMKIVZLBZIWPPW-WMLDXEAASA-N 1 1 271.408 3.582 20 30 CHEDMO CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000588960713 1127208080 /nfs/dbraw/zinc/20/80/80/1127208080.db2.gz DIDYSKNAMIOVCZ-HNAYVOBHSA-N 1 1 299.462 3.646 20 30 CHEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000588960713 1127208084 /nfs/dbraw/zinc/20/80/84/1127208084.db2.gz DIDYSKNAMIOVCZ-HNAYVOBHSA-N 1 1 299.462 3.646 20 30 CHEDMO C=C(C)CC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000351761938 1127208602 /nfs/dbraw/zinc/20/86/02/1127208602.db2.gz YOHWRQZBQZAXRV-UHFFFAOYSA-N 1 1 274.408 3.799 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@@H+](CC2CC2)C2CC2)c1 ZINC001237752972 1131139822 /nfs/dbraw/zinc/13/98/22/1131139822.db2.gz CQXFLOCLLFJLCT-UHFFFAOYSA-N 1 1 260.768 3.586 20 30 CHEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000589254902 1127216072 /nfs/dbraw/zinc/21/60/72/1127216072.db2.gz OZCCGKUUGXLXRG-IRXDYDNUSA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1nc(C)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000589254902 1127216076 /nfs/dbraw/zinc/21/60/76/1127216076.db2.gz OZCCGKUUGXLXRG-IRXDYDNUSA-N 1 1 295.386 3.563 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000352338658 1127224897 /nfs/dbraw/zinc/22/48/97/1127224897.db2.gz UOJWZSAWQTUFRU-KRWDZBQOSA-N 1 1 286.419 3.860 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(C#N)cc1 ZINC000285562407 1127237298 /nfs/dbraw/zinc/23/72/98/1127237298.db2.gz HDAHJAYZJKARBM-QWRGUYRKSA-N 1 1 287.313 3.643 20 30 CHEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352881201 1127247898 /nfs/dbraw/zinc/24/78/98/1127247898.db2.gz DNNOJPQQZWBPTI-GFCCVEGCSA-N 1 1 284.334 3.596 20 30 CHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352881201 1127247901 /nfs/dbraw/zinc/24/79/01/1127247901.db2.gz DNNOJPQQZWBPTI-GFCCVEGCSA-N 1 1 284.334 3.596 20 30 CHEDMO C=C(C)C[N@H+](CCC(C)(C)OC)Cc1cnn(C(C)C)c1 ZINC000352902732 1127249676 /nfs/dbraw/zinc/24/96/76/1127249676.db2.gz NPIBQFSSZFFYMJ-UHFFFAOYSA-N 1 1 293.455 3.657 20 30 CHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000590166066 1127250572 /nfs/dbraw/zinc/25/05/72/1127250572.db2.gz OGDGFOJPIXYLEO-ILXRZTDVSA-N 1 1 295.386 3.699 20 30 CHEDMO C=CCCC[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352915934 1127250697 /nfs/dbraw/zinc/25/06/97/1127250697.db2.gz QKDUWKSTHNYQQN-UHFFFAOYSA-N 1 1 261.413 3.808 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC3 ZINC000590166000 1127250765 /nfs/dbraw/zinc/25/07/65/1127250765.db2.gz LIFGWPPBSBLVAB-KGLIPLIRSA-N 1 1 279.387 3.527 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC3 ZINC000590166000 1127250767 /nfs/dbraw/zinc/25/07/67/1127250767.db2.gz LIFGWPPBSBLVAB-KGLIPLIRSA-N 1 1 279.387 3.527 20 30 CHEDMO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352942388 1127253345 /nfs/dbraw/zinc/25/33/45/1127253345.db2.gz NCHMUADCCDPHMS-HOTGVXAUSA-N 1 1 297.427 3.989 20 30 CHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CCC1 ZINC000352952152 1127253674 /nfs/dbraw/zinc/25/36/74/1127253674.db2.gz PCCQHBLXGNRXBG-UHFFFAOYSA-N 1 1 261.413 3.642 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000590715581 1127269275 /nfs/dbraw/zinc/26/92/75/1127269275.db2.gz RNJLFWZUQHWISH-JSNVTFDYSA-N 1 1 254.377 3.716 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000287007142 1127281770 /nfs/dbraw/zinc/28/17/70/1127281770.db2.gz QLSNOSQSMJJPQF-UHFFFAOYSA-N 1 1 264.319 3.568 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061825 1127286025 /nfs/dbraw/zinc/28/60/25/1127286025.db2.gz JZIUSMUNHVUBEH-CXAGYDPISA-N 1 1 254.377 3.741 20 30 CHEDMO C#CCC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000760819282 1127295005 /nfs/dbraw/zinc/29/50/05/1127295005.db2.gz HVLWJSZBQMUMPE-UHFFFAOYSA-N 1 1 298.199 3.822 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573384424 1127308792 /nfs/dbraw/zinc/30/87/92/1127308792.db2.gz ZUNBMWQIESUTMK-XBXGTLAGSA-N 1 1 297.324 3.506 20 30 CHEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)c1cccc(C#N)c1 ZINC000591571007 1127309233 /nfs/dbraw/zinc/30/92/33/1127309233.db2.gz SKQZWQHEPXDANV-VKJFTORMSA-N 1 1 285.435 3.520 20 30 CHEDMO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)c1cccc(C#N)c1 ZINC000591571006 1127309258 /nfs/dbraw/zinc/30/92/58/1127309258.db2.gz SKQZWQHEPXDANV-RVKKMQEKSA-N 1 1 285.435 3.520 20 30 CHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245698702 1129218446 /nfs/dbraw/zinc/21/84/46/1129218446.db2.gz CRXODUFAHOUEQZ-NVXWUHKLSA-N 1 1 286.419 3.845 20 30 CHEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)ncc1F)c1ccccc1 ZINC000287633360 1127310998 /nfs/dbraw/zinc/31/09/98/1127310998.db2.gz KMXHFIFTQRFRQQ-CXAGYDPISA-N 1 1 298.361 3.645 20 30 CHEDMO C[C@H]1CCCC[N@H+]1CCNc1cccc(C(F)F)c1C#N ZINC000573814852 1127329259 /nfs/dbraw/zinc/32/92/59/1127329259.db2.gz KDJOQVPHTBAXRV-LBPRGKRZSA-N 1 1 293.361 3.782 20 30 CHEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1cccc(Cl)c1 ZINC000592105951 1127333355 /nfs/dbraw/zinc/33/33/55/1127333355.db2.gz YBLGFNUOKLUTRC-UHFFFAOYSA-N 1 1 285.778 3.632 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(C)cc1 ZINC000592099421 1127333474 /nfs/dbraw/zinc/33/34/74/1127333474.db2.gz WYMBWTFOPVNQQI-KRWDZBQOSA-N 1 1 265.360 3.503 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000592071182 1127334360 /nfs/dbraw/zinc/33/43/60/1127334360.db2.gz CARJPNNGHAHDHV-BHIYHBOVSA-N 1 1 298.430 3.575 20 30 CHEDMO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1ccncc1C#N ZINC000592073034 1127334794 /nfs/dbraw/zinc/33/47/94/1127334794.db2.gz CLMVQZIWOFVUEK-IBGZPJMESA-N 1 1 291.398 3.709 20 30 CHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592073034 1127334799 /nfs/dbraw/zinc/33/47/99/1127334799.db2.gz CLMVQZIWOFVUEK-IBGZPJMESA-N 1 1 291.398 3.709 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccncc1C#N ZINC000592070161 1127334985 /nfs/dbraw/zinc/33/49/85/1127334985.db2.gz GYOPMMUFJDRSAO-SFHVURJKSA-N 1 1 279.387 3.782 20 30 CHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592070161 1127334988 /nfs/dbraw/zinc/33/49/88/1127334988.db2.gz GYOPMMUFJDRSAO-SFHVURJKSA-N 1 1 279.387 3.782 20 30 CHEDMO CC(C)C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592095152 1127335538 /nfs/dbraw/zinc/33/55/38/1127335538.db2.gz GBDLUSTZCKWUEL-GOSISDBHSA-N 1 1 279.387 3.830 20 30 CHEDMO CCc1ccc(C(C)(C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592099652 1127335748 /nfs/dbraw/zinc/33/57/48/1127335748.db2.gz RYHHHIIAJLIHHD-UHFFFAOYSA-N 1 1 279.387 3.541 20 30 CHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CC1(C#N)CC1 ZINC000592138573 1127336929 /nfs/dbraw/zinc/33/69/29/1127336929.db2.gz YIAHYELEVMKQLC-INIZCTEOSA-N 1 1 272.367 3.526 20 30 CHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592153355 1127340004 /nfs/dbraw/zinc/34/00/04/1127340004.db2.gz AZTJQTDKRJSDSR-DOTOQJQBSA-N 1 1 283.419 3.601 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)c1ccc(C#N)cc1 ZINC000592386832 1127346187 /nfs/dbraw/zinc/34/61/87/1127346187.db2.gz CIDBNYVECWCYCD-KGLIPLIRSA-N 1 1 294.402 3.503 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000355582091 1127350579 /nfs/dbraw/zinc/35/05/79/1127350579.db2.gz JTPZOQWNRAMCAM-SFHVURJKSA-N 1 1 289.419 3.642 20 30 CHEDMO Cc1cc(C[N@@H+](CC2CC2)C2CCC2)ccc1C#N ZINC000355731438 1127361205 /nfs/dbraw/zinc/36/12/05/1127361205.db2.gz NTEUJFPHQHYXHY-UHFFFAOYSA-N 1 1 254.377 3.631 20 30 CHEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCc2ccc(Cl)cc21 ZINC000593066712 1127368532 /nfs/dbraw/zinc/36/85/32/1127368532.db2.gz PNCXYQAJTBMQEC-DVOMOZLQSA-N 1 1 288.822 3.994 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000593053072 1127370299 /nfs/dbraw/zinc/37/02/99/1127370299.db2.gz BHCGYDXBXURCGC-MRXNPFEDSA-N 1 1 278.440 3.740 20 30 CHEDMO C#Cc1ccc(C[N@H+](C)[C@H](CC)c2ccncc2)cc1 ZINC000290296593 1127389384 /nfs/dbraw/zinc/38/93/84/1127389384.db2.gz AWZGXWBEGWCMMG-GOSISDBHSA-N 1 1 264.372 3.646 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593573007 1127389849 /nfs/dbraw/zinc/38/98/49/1127389849.db2.gz RTPAAHJROQSKKG-UHFFFAOYSA-N 1 1 271.364 3.590 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593573007 1127389851 /nfs/dbraw/zinc/38/98/51/1127389851.db2.gz RTPAAHJROQSKKG-UHFFFAOYSA-N 1 1 271.364 3.590 20 30 CHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000357525664 1127391474 /nfs/dbraw/zinc/39/14/74/1127391474.db2.gz FIXKRTPDRPEDQI-HIFRSBDPSA-N 1 1 267.376 3.574 20 30 CHEDMO N#CCCCOc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593649792 1127393272 /nfs/dbraw/zinc/39/32/72/1127393272.db2.gz KDZHQTXLEBCMBX-UHFFFAOYSA-N 1 1 297.402 3.543 20 30 CHEDMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000058876630 1127397107 /nfs/dbraw/zinc/39/71/07/1127397107.db2.gz VYGGHCLLJAYYQO-UHFFFAOYSA-N 1 1 264.372 3.970 20 30 CHEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](CCCC#N)CC2 ZINC000358059678 1127399324 /nfs/dbraw/zinc/39/93/24/1127399324.db2.gz IWDRGWKEQFIKLN-UHFFFAOYSA-N 1 1 256.393 3.646 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC2(CCCCC2)O1 ZINC000594058002 1127407965 /nfs/dbraw/zinc/40/79/65/1127407965.db2.gz OFTUYYFLLUKAPB-INIZCTEOSA-N 1 1 298.430 3.676 20 30 CHEDMO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527527 1127412936 /nfs/dbraw/zinc/41/29/36/1127412936.db2.gz DHUHFGPEBOGOHL-UHFFFAOYSA-N 1 1 280.371 3.589 20 30 CHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054895 1127413881 /nfs/dbraw/zinc/41/38/81/1127413881.db2.gz KRMLLFXOCVBJGS-CYBMUJFWSA-N 1 1 296.336 3.872 20 30 CHEDMO N#Cc1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1C(F)F ZINC000594546648 1127419729 /nfs/dbraw/zinc/41/97/29/1127419729.db2.gz XQPNTAUUGIAVRZ-NWDGAFQWSA-N 1 1 291.345 3.535 20 30 CHEDMO CCn1ccnc1[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594516056 1127420287 /nfs/dbraw/zinc/42/02/87/1127420287.db2.gz AKYAVXOMHUKDRH-AWEZNQCLSA-N 1 1 294.402 3.505 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000594615168 1127426237 /nfs/dbraw/zinc/42/62/37/1127426237.db2.gz SJXHHIXBQHRRDU-RBUKOAKNSA-N 1 1 274.367 3.678 20 30 CHEDMO C=C(CC)C[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000358624534 1127429426 /nfs/dbraw/zinc/42/94/26/1127429426.db2.gz LZMKHNHCBLLAOC-UHFFFAOYSA-N 1 1 285.334 3.695 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cscn1 ZINC000594967373 1127441361 /nfs/dbraw/zinc/44/13/61/1127441361.db2.gz XRMUVIUOJMHUFJ-GFCCVEGCSA-N 1 1 285.416 3.795 20 30 CHEDMO Cc1ccc(C[N@@H+](CCc2ccc(C#N)cc2)C2CC2)o1 ZINC000595296171 1127457165 /nfs/dbraw/zinc/45/71/65/1127457165.db2.gz KCEFEYMKBAKBEM-UHFFFAOYSA-N 1 1 280.371 3.667 20 30 CHEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081947 1127453599 /nfs/dbraw/zinc/45/35/99/1127453599.db2.gz UTXRPPOIWCIJSV-MAUKXSAKSA-N 1 1 297.446 3.616 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595081947 1127453601 /nfs/dbraw/zinc/45/36/01/1127453601.db2.gz UTXRPPOIWCIJSV-MAUKXSAKSA-N 1 1 297.446 3.616 20 30 CHEDMO COc1ccsc1[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091581 1127453967 /nfs/dbraw/zinc/45/39/67/1127453967.db2.gz RMCGMAXUNQBMFB-GFCCVEGCSA-N 1 1 278.421 3.881 20 30 CHEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1O ZINC000595090566 1127454003 /nfs/dbraw/zinc/45/40/03/1127454003.db2.gz ICQZZXSKRGEKLJ-CYBMUJFWSA-N 1 1 288.391 3.525 20 30 CHEDMO CCC[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccn1 ZINC000595092115 1127454835 /nfs/dbraw/zinc/45/48/35/1127454835.db2.gz XGECQISNPJGTTF-HNNXBMFYSA-N 1 1 271.408 3.986 20 30 CHEDMO CCOc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC000595292766 1127457664 /nfs/dbraw/zinc/45/76/64/1127457664.db2.gz VZXSVGWTFYRDHY-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000595288417 1127458321 /nfs/dbraw/zinc/45/83/21/1127458321.db2.gz IBTOXSXLBVFOJF-LJQANCHMSA-N 1 1 276.383 3.938 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CC=CC1 ZINC000595336507 1127458993 /nfs/dbraw/zinc/45/89/93/1127458993.db2.gz ZKGZMIOOLLFQIJ-QZTJIDSGSA-N 1 1 266.388 3.724 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595301055 1127459594 /nfs/dbraw/zinc/45/95/94/1127459594.db2.gz HYDNYYSJNTYOFY-BFYDXBDKSA-N 1 1 256.393 3.662 20 30 CHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000595359559 1127460831 /nfs/dbraw/zinc/46/08/31/1127460831.db2.gz MDSMWOAOXWNXFD-IBGZPJMESA-N 1 1 292.382 3.643 20 30 CHEDMO N#Cc1ccc(CC[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000595440482 1127462938 /nfs/dbraw/zinc/46/29/38/1127462938.db2.gz FAWSRMYOOKAFAD-UHFFFAOYSA-N 1 1 288.394 3.648 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000595502862 1127464007 /nfs/dbraw/zinc/46/40/07/1127464007.db2.gz OLKLIZFXNKHVMI-GOSISDBHSA-N 1 1 291.398 3.527 20 30 CHEDMO C[N@@H+](CC[C@H]1CCc2ccccc21)CC(C)(C)C#N ZINC000595502896 1127464211 /nfs/dbraw/zinc/46/42/11/1127464211.db2.gz XELRBGFTSVCPJE-OAHLLOKOSA-N 1 1 256.393 3.588 20 30 CHEDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)ccc1C#N ZINC000595499848 1127464267 /nfs/dbraw/zinc/46/42/67/1127464267.db2.gz BDVZOXKFOVESCQ-SFHVURJKSA-N 1 1 291.398 3.641 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000595621380 1127468412 /nfs/dbraw/zinc/46/84/12/1127468412.db2.gz UFURIQGPYRLRGV-BLLLJJGKSA-N 1 1 274.795 3.953 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000595549427 1127467017 /nfs/dbraw/zinc/46/70/17/1127467017.db2.gz JFHUXLOSNDCKKU-GFCCVEGCSA-N 1 1 281.359 3.617 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000595549427 1127467019 /nfs/dbraw/zinc/46/70/19/1127467019.db2.gz JFHUXLOSNDCKKU-GFCCVEGCSA-N 1 1 281.359 3.617 20 30 CHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC000359538235 1127467303 /nfs/dbraw/zinc/46/73/03/1127467303.db2.gz ARNJUBCZGXSRHL-GUYCJALGSA-N 1 1 272.367 3.709 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000595623330 1127468770 /nfs/dbraw/zinc/46/87/70/1127468770.db2.gz NFZGIKRIDQZZPX-ZDUSSCGKSA-N 1 1 278.346 3.523 20 30 CHEDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595620407 1127468796 /nfs/dbraw/zinc/46/87/96/1127468796.db2.gz NHLQHEFSAAKLFB-HNNXBMFYSA-N 1 1 272.392 3.601 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000595622842 1127469022 /nfs/dbraw/zinc/46/90/22/1127469022.db2.gz DUVZQTRFKONPQM-CQSZACIVSA-N 1 1 254.377 3.690 20 30 CHEDMO Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)sc1C ZINC000595632235 1127469506 /nfs/dbraw/zinc/46/95/06/1127469506.db2.gz CZBKRSOOAGGUIE-UHFFFAOYSA-N 1 1 285.416 3.657 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000595611569 1127469935 /nfs/dbraw/zinc/46/99/35/1127469935.db2.gz LIDGYGDPWMKYGR-CYBMUJFWSA-N 1 1 278.396 3.543 20 30 CHEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000595603573 1127470228 /nfs/dbraw/zinc/47/02/28/1127470228.db2.gz YURUADJRLVVXGC-SFHVURJKSA-N 1 1 291.398 3.907 20 30 CHEDMO C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611235 1127470543 /nfs/dbraw/zinc/47/05/43/1127470543.db2.gz ICQMHMLEWSRZEZ-NEPJUHHUSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611235 1127470544 /nfs/dbraw/zinc/47/05/44/1127470544.db2.gz ICQMHMLEWSRZEZ-NEPJUHHUSA-N 1 1 264.319 3.651 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000595613537 1127470659 /nfs/dbraw/zinc/47/06/59/1127470659.db2.gz FBRGAELDLJWDOR-AWEZNQCLSA-N 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CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000540606666 1127985895 /nfs/dbraw/zinc/98/58/95/1127985895.db2.gz MUVMZJGBIOZJPH-VQIMIIECSA-N 1 1 299.462 3.719 20 30 CHEDMO CC(C)CN1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540606666 1127985897 /nfs/dbraw/zinc/98/58/97/1127985897.db2.gz MUVMZJGBIOZJPH-VQIMIIECSA-N 1 1 299.462 3.719 20 30 CHEDMO CC1CCC([N@@H+](CCC(C)(C)C#N)C[C@@H]2CCCO2)CC1 ZINC000540664724 1127989847 /nfs/dbraw/zinc/98/98/47/1127989847.db2.gz FSAHWMJEIYWPRI-JCYILVPMSA-N 1 1 292.467 3.986 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCC(C)(C)C#N ZINC000540715245 1127991609 /nfs/dbraw/zinc/99/16/09/1127991609.db2.gz OKICHNQTMNEUMR-IAGOWNOFSA-N 1 1 299.462 3.521 20 30 CHEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)CN1Cc1ccccc1 ZINC000540715245 1127991612 /nfs/dbraw/zinc/99/16/12/1127991612.db2.gz OKICHNQTMNEUMR-IAGOWNOFSA-N 1 1 299.462 3.521 20 30 CHEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](C)CN1Cc1ccccc1 ZINC000540715245 1127991615 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ZINC000929186400 1128263073 /nfs/dbraw/zinc/26/30/73/1128263073.db2.gz RLFFKJKSXRTPGO-GOSISDBHSA-N 1 1 295.386 3.809 20 30 CHEDMO N#CCCc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926893410 1128200368 /nfs/dbraw/zinc/20/03/68/1128200368.db2.gz QCYTVYVJKBFNIT-ZWKOTPCHSA-N 1 1 283.419 3.572 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000929404899 1128273306 /nfs/dbraw/zinc/27/33/06/1128273306.db2.gz XVLQJPAGYORUHL-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000929817182 1128289338 /nfs/dbraw/zinc/28/93/38/1128289338.db2.gz MDJMIVUVNYBQAY-CKUJCDMFSA-N 1 1 278.465 3.676 20 30 CHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929970322 1128296604 /nfs/dbraw/zinc/29/66/04/1128296604.db2.gz CZWRQGYOIJKEAG-NFOMZHRRSA-N 1 1 272.392 3.715 20 30 CHEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930119956 1128301798 /nfs/dbraw/zinc/30/17/98/1128301798.db2.gz SWQRQTHKEUTPDL-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930119956 1128301800 /nfs/dbraw/zinc/30/18/00/1128301800.db2.gz SWQRQTHKEUTPDL-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000930161527 1128303159 /nfs/dbraw/zinc/30/31/59/1128303159.db2.gz ARMHWVXPKHSDSY-UHFFFAOYSA-N 1 1 272.367 3.514 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(F)cc1C ZINC000487969978 1128313005 /nfs/dbraw/zinc/31/30/05/1128313005.db2.gz GOSJNJGDZNNCLL-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000487969978 1128313009 /nfs/dbraw/zinc/31/30/09/1128313009.db2.gz GOSJNJGDZNNCLL-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO C=CCCCCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235255198 1128316082 /nfs/dbraw/zinc/31/60/82/1128316082.db2.gz LPXOBLNEVTZXLV-ROUUACIJSA-N 1 1 278.484 3.977 20 30 CHEDMO C=C(C)C[N@@H+](CCCC(C)(F)F)Cc1ccc(CO)o1 ZINC000930457072 1128319284 /nfs/dbraw/zinc/31/92/84/1128319284.db2.gz XHJRABMJVNJAFW-UHFFFAOYSA-N 1 1 287.350 3.585 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000930478026 1128320756 /nfs/dbraw/zinc/32/07/56/1128320756.db2.gz QCZAPVMLHWKCCL-HTWSVDAQSA-N 1 1 283.419 3.591 20 30 CHEDMO N#CC1(CCCC[N@H+]2CCCc3occc3C2)CCC1 ZINC000930506706 1128322518 /nfs/dbraw/zinc/32/25/18/1128322518.db2.gz SNGGAXOFZBCCAM-UHFFFAOYSA-N 1 1 272.392 3.892 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000930517795 1128323362 /nfs/dbraw/zinc/32/33/62/1128323362.db2.gz YKTOBMMHEBSMFJ-MRXNPFEDSA-N 1 1 297.789 3.596 20 30 CHEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OC(C)C)c1 ZINC000153689365 1128335017 /nfs/dbraw/zinc/33/50/17/1128335017.db2.gz NXQPNQPWJACOTA-UHFFFAOYSA-N 1 1 284.359 3.537 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930664530 1128330138 /nfs/dbraw/zinc/33/01/38/1128330138.db2.gz UZGDHSZSNUKTLN-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930664530 1128330143 /nfs/dbraw/zinc/33/01/43/1128330143.db2.gz 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/nfs/dbraw/zinc/34/29/98/1128342998.db2.gz CUDUXJKCEMPAPX-GFCCVEGCSA-N 1 1 253.773 3.535 20 30 CHEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1ccccc1Cl ZINC000561634462 1128343078 /nfs/dbraw/zinc/34/30/78/1128343078.db2.gz GMELZYGDBPJOTR-LBPRGKRZSA-N 1 1 253.773 3.535 20 30 CHEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccccc1Cl ZINC000561634462 1128343082 /nfs/dbraw/zinc/34/30/82/1128343082.db2.gz GMELZYGDBPJOTR-LBPRGKRZSA-N 1 1 253.773 3.535 20 30 CHEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)[C@H]1c1cccnc1 ZINC000931085327 1128347258 /nfs/dbraw/zinc/34/72/58/1128347258.db2.gz XXZLDNDRZCOVOU-DQPZFDDXSA-N 1 1 283.419 3.794 20 30 CHEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC000931267109 1128354961 /nfs/dbraw/zinc/35/49/61/1128354961.db2.gz PZTSYIJLOCPPOB-UHFFFAOYSA-N 1 1 294.439 3.560 20 30 CHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000561884006 1128359480 /nfs/dbraw/zinc/35/94/80/1128359480.db2.gz LNOUNPHGXGJGRG-OAHLLOKOSA-N 1 1 258.409 3.798 20 30 CHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000932164584 1128397793 /nfs/dbraw/zinc/39/77/93/1128397793.db2.gz XVZIWHLSQZAOEJ-CQSZACIVSA-N 1 1 266.429 3.596 20 30 CHEDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000932274479 1128401925 /nfs/dbraw/zinc/40/19/25/1128401925.db2.gz HTIONDPHEFNCSG-KXBFYZLASA-N 1 1 291.398 3.721 20 30 CHEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000932274573 1128402451 /nfs/dbraw/zinc/40/24/51/1128402451.db2.gz IVJLGPUOJOOTBB-DNVCBOLYSA-N 1 1 291.398 3.721 20 30 CHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc2ccccc2c1 ZINC000916144175 1128409185 /nfs/dbraw/zinc/40/91/85/1128409185.db2.gz RMHBOIUZNPNXOH-UHFFFAOYSA-N 1 1 282.387 3.676 20 30 CHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc2ccccc2c1 ZINC000916144175 1128409189 /nfs/dbraw/zinc/40/91/89/1128409189.db2.gz RMHBOIUZNPNXOH-UHFFFAOYSA-N 1 1 282.387 3.676 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933658139 1128439540 /nfs/dbraw/zinc/43/95/40/1128439540.db2.gz WOLKEYRWNWSKCF-MAUKXSAKSA-N 1 1 282.387 3.619 20 30 CHEDMO C=CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063299838 1128442923 /nfs/dbraw/zinc/44/29/23/1128442923.db2.gz JRQZQMOTOSCAAA-UHFFFAOYSA-N 1 1 280.346 3.886 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000125940042 1128457081 /nfs/dbraw/zinc/45/70/81/1128457081.db2.gz LBEHLWTXRLVMNL-NSHDSACASA-N 1 1 298.789 3.704 20 30 CHEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000934464130 1128461270 /nfs/dbraw/zinc/46/12/70/1128461270.db2.gz CCZCODLALWPPFO-UONOGXRCSA-N 1 1 283.375 3.756 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000934464130 1128461271 /nfs/dbraw/zinc/46/12/71/1128461271.db2.gz CCZCODLALWPPFO-UONOGXRCSA-N 1 1 283.375 3.756 20 30 CHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000934471846 1128461803 /nfs/dbraw/zinc/46/18/03/1128461803.db2.gz KMLRPOISEMCDGR-CYBMUJFWSA-N 1 1 289.766 3.540 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000934471846 1128461805 /nfs/dbraw/zinc/46/18/05/1128461805.db2.gz KMLRPOISEMCDGR-CYBMUJFWSA-N 1 1 289.766 3.540 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2cccs2)oc1C ZINC000934471331 1128461971 /nfs/dbraw/zinc/46/19/71/1128461971.db2.gz IVHXHMHYPSDHAM-LBPRGKRZSA-N 1 1 274.389 3.862 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2cccs2)oc1C ZINC000934471331 1128461975 /nfs/dbraw/zinc/46/19/75/1128461975.db2.gz IVHXHMHYPSDHAM-LBPRGKRZSA-N 1 1 274.389 3.862 20 30 CHEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ncc(Br)cn1 ZINC000934644747 1128465862 /nfs/dbraw/zinc/46/58/62/1128465862.db2.gz HPFTUYNLMFBHCZ-NSHDSACASA-N 1 1 298.228 3.588 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)s1 ZINC000563861973 1128482241 /nfs/dbraw/zinc/48/22/41/1128482241.db2.gz AWIBTZVDZMORNU-INIZCTEOSA-N 1 1 286.375 3.690 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)s1 ZINC000563861973 1128482243 /nfs/dbraw/zinc/48/22/43/1128482243.db2.gz AWIBTZVDZMORNU-INIZCTEOSA-N 1 1 286.375 3.690 20 30 CHEDMO C[N@@H+](CCCCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000128128644 1128487125 /nfs/dbraw/zinc/48/71/25/1128487125.db2.gz AGIBTRHIRVDYMI-UHFFFAOYSA-N 1 1 286.297 3.711 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000565153045 1128520920 /nfs/dbraw/zinc/52/09/20/1128520920.db2.gz PHLKIUWFFMSLPV-DLBZAZTESA-N 1 1 259.393 3.541 20 30 CHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C2CC2)cc1C ZINC000565156004 1128521109 /nfs/dbraw/zinc/52/11/09/1128521109.db2.gz GZEWKJXTLZABLJ-UHFFFAOYSA-N 1 1 291.398 3.735 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C=CCCCCC1 ZINC000556105188 1128547006 /nfs/dbraw/zinc/54/70/06/1128547006.db2.gz UBBVDANAQVQDCK-KRWDZBQOSA-N 1 1 254.377 3.879 20 30 CHEDMO CCCCCCC[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236110615 1128563099 /nfs/dbraw/zinc/56/30/99/1128563099.db2.gz CKQHTVPYFDFNEK-CQSZACIVSA-N 1 1 266.454 3.665 20 30 CHEDMO CCCCCCC[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236110615 1128563103 /nfs/dbraw/zinc/56/31/03/1128563103.db2.gz CKQHTVPYFDFNEK-CQSZACIVSA-N 1 1 266.454 3.665 20 30 CHEDMO CCCC[NH+]1CCC(N[C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000567374464 1128563378 /nfs/dbraw/zinc/56/33/78/1128563378.db2.gz CIEZZUAIHFSESY-IBGZPJMESA-N 1 1 299.462 3.863 20 30 CHEDMO CCCCN1CCC([NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000567374464 1128563381 /nfs/dbraw/zinc/56/33/81/1128563381.db2.gz CIEZZUAIHFSESY-IBGZPJMESA-N 1 1 299.462 3.863 20 30 CHEDMO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000567403379 1128563732 /nfs/dbraw/zinc/56/37/32/1128563732.db2.gz NHLPGUGXNZCWOK-CRAIPNDOSA-N 1 1 291.398 3.812 20 30 CHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000567520459 1128566286 /nfs/dbraw/zinc/56/62/86/1128566286.db2.gz QLRRYNVDTQFHTE-GOSISDBHSA-N 1 1 297.402 3.702 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000567520459 1128566290 /nfs/dbraw/zinc/56/62/90/1128566290.db2.gz QLRRYNVDTQFHTE-GOSISDBHSA-N 1 1 297.402 3.702 20 30 CHEDMO C=C(Cl)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763430273 1128569294 /nfs/dbraw/zinc/56/92/94/1128569294.db2.gz DJLPXDYQQOYYDG-OAHLLOKOSA-N 1 1 284.875 3.715 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1cnc(C)nc1 ZINC000918742119 1128570625 /nfs/dbraw/zinc/57/06/25/1128570625.db2.gz WSWQHRKKPVYNRI-UHFFFAOYSA-N 1 1 263.429 3.967 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000568103762 1128577804 /nfs/dbraw/zinc/57/78/04/1128577804.db2.gz KCLNELFSGJTWTQ-SINXNMPMSA-N 1 1 289.382 3.631 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000568407819 1128584540 /nfs/dbraw/zinc/58/45/40/1128584540.db2.gz TZNFRNKMEOVYDW-ACJLOTCBSA-N 1 1 295.361 3.675 20 30 CHEDMO C=CC[N@H+](CCc1cccc(C)n1)Cc1ccc(OC)cc1 ZINC000569807264 1128609716 /nfs/dbraw/zinc/60/97/16/1128609716.db2.gz DBUVFUJGSLUYPC-UHFFFAOYSA-N 1 1 296.414 3.629 20 30 CHEDMO CC(C)CCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000132611174 1128657243 /nfs/dbraw/zinc/65/72/43/1128657243.db2.gz VABTXQWJCXUNJV-MRXNPFEDSA-N 1 1 261.413 3.578 20 30 CHEDMO CCCCCCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000158354540 1128666627 /nfs/dbraw/zinc/66/66/27/1128666627.db2.gz SENJTWYNXNGAMS-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000158354540 1128666628 /nfs/dbraw/zinc/66/66/28/1128666628.db2.gz SENJTWYNXNGAMS-INIZCTEOSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000157771851 1128662961 /nfs/dbraw/zinc/66/29/61/1128662961.db2.gz VCEONOBPHWHVQI-INIZCTEOSA-N 1 1 282.472 3.585 20 30 CHEDMO Cc1[nH+]ccn1Cc1ccc(NC2=CC[C@@H](C#N)CC2)cc1 ZINC001212862872 1128671651 /nfs/dbraw/zinc/67/16/51/1128671651.db2.gz VFKYNHZNIUSMKV-OAHLLOKOSA-N 1 1 292.386 3.859 20 30 CHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000048068977 1128678369 /nfs/dbraw/zinc/67/83/69/1128678369.db2.gz CXOQJLSSMLBFBE-DOTOQJQBSA-N 1 1 286.419 3.838 20 30 CHEDMO N#CCC[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600758828 1128679624 /nfs/dbraw/zinc/67/96/24/1128679624.db2.gz WUXCDDJOEZUUIG-CQSZACIVSA-N 1 1 273.767 3.702 20 30 CHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)C(C)C ZINC000920411791 1128680701 /nfs/dbraw/zinc/68/07/01/1128680701.db2.gz GHGXGVDTMDZNFP-UHFFFAOYSA-N 1 1 292.448 3.634 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001258047598 1128688122 /nfs/dbraw/zinc/68/81/22/1128688122.db2.gz MTHXXSICYBFHNB-IRXDYDNUSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001258047598 1128688125 /nfs/dbraw/zinc/68/81/25/1128688125.db2.gz MTHXXSICYBFHNB-IRXDYDNUSA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[C@@H](C)[NH+]1CC(N2CCCCC2)C1 ZINC001258049791 1128689218 /nfs/dbraw/zinc/68/92/18/1128689218.db2.gz OOISDYQCSPZILB-MRXNPFEDSA-N 1 1 266.473 3.906 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1C=CCCC1 ZINC000609419779 1128714710 /nfs/dbraw/zinc/71/47/10/1128714710.db2.gz WXDMXICYWOEARQ-HNNXBMFYSA-N 1 1 272.348 3.692 20 30 CHEDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000578522149 1128720272 /nfs/dbraw/zinc/72/02/72/1128720272.db2.gz CARLCWQQEHGWRH-LLVKDONJSA-N 1 1 281.350 3.638 20 30 CHEDMO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000609891729 1128730901 /nfs/dbraw/zinc/73/09/01/1128730901.db2.gz HLIVRVNMSGQYGW-STQMWFEESA-N 1 1 291.826 3.744 20 30 CHEDMO C=C(Br)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000049508747 1117759505 /nfs/dbraw/zinc/75/95/05/1117759505.db2.gz QRIQYEMQQLLLQK-VIFPVBQESA-N 1 1 274.589 3.899 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000072553276 1117761132 /nfs/dbraw/zinc/76/11/32/1117761132.db2.gz LXFQZNRRNRFDRE-UHFFFAOYSA-N 1 1 285.387 3.808 20 30 CHEDMO C=CCCCCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610079893 1128737551 /nfs/dbraw/zinc/73/75/51/1128737551.db2.gz HRARYOFDVXWORY-UHFFFAOYSA-N 1 1 276.380 3.816 20 30 CHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]2CC)ccc1OC ZINC000430191771 1117833709 /nfs/dbraw/zinc/83/37/09/1117833709.db2.gz HORMAZXODGDNKG-HNNXBMFYSA-N 1 1 275.392 3.634 20 30 CHEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)CC1 ZINC001208169763 1117856688 /nfs/dbraw/zinc/85/66/88/1117856688.db2.gz AAROSQKOUVGLGQ-JQHSSLGASA-N 1 1 277.452 3.772 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000763951487 1117858687 /nfs/dbraw/zinc/85/86/87/1117858687.db2.gz XXJLKCJNNTUOAH-UHFFFAOYSA-N 1 1 286.378 3.823 20 30 CHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000430202828 1117860299 /nfs/dbraw/zinc/86/02/99/1117860299.db2.gz YKRLCQSFJSLOES-OAHLLOKOSA-N 1 1 291.460 3.826 20 30 CHEDMO C=CC(C)(C)CC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000623593223 1117876387 /nfs/dbraw/zinc/87/63/87/1117876387.db2.gz ZIQLMCHFVLVQJM-UHFFFAOYSA-N 1 1 269.392 3.769 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000753978190 1117929580 /nfs/dbraw/zinc/92/95/80/1117929580.db2.gz WYKFTZLENAVMTN-ZDUSSCGKSA-N 1 1 280.371 3.669 20 30 CHEDMO CC1(C)C[N@@H+](CCCc2ccc(C#N)cc2)CCC1(F)F ZINC001208856000 1117939697 /nfs/dbraw/zinc/93/96/97/1117939697.db2.gz IIKCOVHOAYWCJH-UHFFFAOYSA-N 1 1 292.373 3.858 20 30 CHEDMO N#Cc1ccc(CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC001208860082 1117942093 /nfs/dbraw/zinc/94/20/93/1117942093.db2.gz HKCHIYMROZAHJH-UHFFFAOYSA-N 1 1 276.383 3.549 20 30 CHEDMO CCCCCCCC[C@@H](C)C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC001266317488 1117952333 /nfs/dbraw/zinc/95/23/33/1117952333.db2.gz HXIJNQQKMIAMPE-ZACQAIPSSA-N 1 1 296.499 3.924 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)CCc1ccccc1Cl ZINC001208925982 1117967641 /nfs/dbraw/zinc/96/76/41/1117967641.db2.gz BPOQGYRZJBBNHW-UHFFFAOYSA-N 1 1 298.817 3.929 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001167094559 1117984721 /nfs/dbraw/zinc/98/47/21/1117984721.db2.gz UNJHDHDXQLDQIT-CQSZACIVSA-N 1 1 279.811 3.843 20 30 CHEDMO CCCCCCCCCCCC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396893982 1118009589 /nfs/dbraw/zinc/00/95/89/1118009589.db2.gz XATLVHJIDUXQOB-ROUUACIJSA-N 1 1 299.499 3.582 20 30 CHEDMO C=CCCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC001167107614 1118023332 /nfs/dbraw/zinc/02/33/32/1118023332.db2.gz FGWCDFQBRHGTBZ-UHFFFAOYSA-N 1 1 258.409 3.555 20 30 CHEDMO C=CCN(Cc1ccccc1)c1ccc2c([nH+]1)CCC2 ZINC001167126336 1118041039 /nfs/dbraw/zinc/04/10/39/1118041039.db2.gz 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/nfs/dbraw/zinc/19/45/34/1120194534.db2.gz FRECWZAKLQTZCT-UHFFFAOYSA-N 1 1 292.854 3.583 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377648567 1120195074 /nfs/dbraw/zinc/19/50/74/1120195074.db2.gz UZKOKWXREGJNGC-HUUCEWRRSA-N 1 1 278.440 3.596 20 30 CHEDMO C=CCCC[C@@H](C)OC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803855198 1120203060 /nfs/dbraw/zinc/20/30/60/1120203060.db2.gz FDPIIXMZODLTKM-CABCVRRESA-N 1 1 267.413 3.539 20 30 CHEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000481114088 1120273137 /nfs/dbraw/zinc/27/31/37/1120273137.db2.gz JRTJEXCSKFEZAA-NSHDSACASA-N 1 1 295.224 3.799 20 30 CHEDMO C[N@@H+](Cc1cccc2ccccc21)C[C@@H](C#N)CCC#N ZINC000076512887 1120285574 /nfs/dbraw/zinc/28/55/74/1120285574.db2.gz IEPXGVNKWVKGIA-OAHLLOKOSA-N 1 1 277.371 3.715 20 30 CHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@@H](C#N)CCC#N ZINC000076512887 1120285579 /nfs/dbraw/zinc/28/55/79/1120285579.db2.gz IEPXGVNKWVKGIA-OAHLLOKOSA-N 1 1 277.371 3.715 20 30 CHEDMO C=CCCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001167735279 1120299850 /nfs/dbraw/zinc/29/98/50/1120299850.db2.gz XOORYSYCPPEVND-UHFFFAOYSA-N 1 1 274.364 3.916 20 30 CHEDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)sc1C ZINC000076904115 1120300556 /nfs/dbraw/zinc/30/05/56/1120300556.db2.gz ULCNWPRMIZNMOP-UHFFFAOYSA-N 1 1 285.416 3.657 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000339175620 1120336636 /nfs/dbraw/zinc/33/66/36/1120336636.db2.gz ZEFXUPUBQNERHZ-JHJVBQTASA-N 1 1 286.341 3.733 20 30 CHEDMO CC(C)C[C@@H](C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000499586303 1120344101 /nfs/dbraw/zinc/34/41/01/1120344101.db2.gz BKDWXLVICMOCCD-CRAIPNDOSA-N 1 1 286.419 3.614 20 30 CHEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236855783 1128911544 /nfs/dbraw/zinc/91/15/44/1128911544.db2.gz NIDHABXPCBZIIH-LLVKDONJSA-N 1 1 293.208 3.695 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236855783 1128911545 /nfs/dbraw/zinc/91/15/45/1128911545.db2.gz NIDHABXPCBZIIH-LLVKDONJSA-N 1 1 293.208 3.695 20 30 CHEDMO CCC[N@@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000065950575 1120371063 /nfs/dbraw/zinc/37/10/63/1120371063.db2.gz MWNUPZXRRSSNOS-UHFFFAOYSA-N 1 1 274.408 3.585 20 30 CHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000930813668 1120428558 /nfs/dbraw/zinc/42/85/58/1120428558.db2.gz CREJHNQQQIZOKD-MRXNPFEDSA-N 1 1 297.789 3.596 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1coc(C)n1)c1ccccc1 ZINC000660201305 1120440036 /nfs/dbraw/zinc/44/00/36/1120440036.db2.gz WIBYPVOVNOSDSP-INIZCTEOSA-N 1 1 256.349 3.780 20 30 CHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000543206072 1120461168 /nfs/dbraw/zinc/46/11/68/1120461168.db2.gz NXBVSVDNLZEFAD-IBGZPJMESA-N 1 1 291.398 3.793 20 30 CHEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000068482344 1120475412 /nfs/dbraw/zinc/47/54/12/1120475412.db2.gz OPSYVKRUZKUWJA-NXEZZACHSA-N 1 1 272.270 3.538 20 30 CHEDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000584871328 1120475514 /nfs/dbraw/zinc/47/55/14/1120475514.db2.gz SYKOMTOZCCILFM-NXEZZACHSA-N 1 1 268.282 3.560 20 30 CHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000069085661 1120491508 /nfs/dbraw/zinc/49/15/08/1120491508.db2.gz MAFLAJQUUDWFBC-SFHVURJKSA-N 1 1 292.382 3.904 20 30 CHEDMO C#CC[C@@H]([NH2+][C@@H]1CCCc2oc(C)nc21)c1ccccc1 ZINC000925638215 1120501470 /nfs/dbraw/zinc/50/14/70/1120501470.db2.gz YTIFHLUKZDBKTR-HZPDHXFCSA-N 1 1 280.371 3.715 20 30 CHEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC001207493417 1120535158 /nfs/dbraw/zinc/53/51/58/1120535158.db2.gz NYIXQBFDHWTOGF-LBPRGKRZSA-N 1 1 286.325 3.996 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)c1cccc(O)c1 ZINC000091975320 1120537128 /nfs/dbraw/zinc/53/71/28/1120537128.db2.gz VYCOLWWUUHETFF-LBPRGKRZSA-N 1 1 286.400 3.908 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1C=CCCCCC1 ZINC000388871467 1120543586 /nfs/dbraw/zinc/54/35/86/1120543586.db2.gz FRIDZUFKZRDEOK-KRWDZBQOSA-N 1 1 254.377 3.879 20 30 CHEDMO Cc1cc(CC#N)ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752650 1120545099 /nfs/dbraw/zinc/54/50/99/1120545099.db2.gz HLJGGJLSUCVXGR-MRXNPFEDSA-N 1 1 285.435 3.738 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000093049439 1120552145 /nfs/dbraw/zinc/55/21/45/1120552145.db2.gz OQZIGCRSXMEDQO-UHFFFAOYSA-N 1 1 262.403 3.622 20 30 CHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(CS)cc1 ZINC001167754244 1120552708 /nfs/dbraw/zinc/55/27/08/1120552708.db2.gz PMFRSRXTFGLTOB-CQSZACIVSA-N 1 1 278.465 3.793 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC12CCC(CC1)C2 ZINC000347724650 1120559330 /nfs/dbraw/zinc/55/93/30/1120559330.db2.gz UZMIVFQPKRPZQQ-UHFFFAOYSA-N 1 1 254.377 3.570 20 30 CHEDMO C=CC[C@@H](C)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000715801465 1120559500 /nfs/dbraw/zinc/55/95/00/1120559500.db2.gz UDQJYXKVXBCIFW-SNVBAGLBSA-N 1 1 266.182 3.729 20 30 CHEDMO C=CC[C@@H](C)[N@H+]1Cc2ccc(Br)cc2C1 ZINC000715801465 1120559502 /nfs/dbraw/zinc/55/95/02/1120559502.db2.gz UDQJYXKVXBCIFW-SNVBAGLBSA-N 1 1 266.182 3.729 20 30 CHEDMO C=C(C)CC[N@@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000508965398 1120563032 /nfs/dbraw/zinc/56/30/32/1120563032.db2.gz SQWULYDUQBJQPT-UONOGXRCSA-N 1 1 259.393 3.969 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000093704454 1120566089 /nfs/dbraw/zinc/56/60/89/1120566089.db2.gz HFHFCPLRJQPBDT-MRXNPFEDSA-N 1 1 297.427 3.696 20 30 CHEDMO CCCCCCCCC[N@H+](C)Cc1nnc(C)o1 ZINC000193803479 1120582278 /nfs/dbraw/zinc/58/22/78/1120582278.db2.gz RKRPIGKNHMZXQQ-UHFFFAOYSA-N 1 1 253.390 3.560 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1nnc(C)o1 ZINC000193803479 1120582281 /nfs/dbraw/zinc/58/22/81/1120582281.db2.gz RKRPIGKNHMZXQQ-UHFFFAOYSA-N 1 1 253.390 3.560 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000080272783 1120592017 /nfs/dbraw/zinc/59/20/17/1120592017.db2.gz PVFDCXZLVWLYFB-CYBMUJFWSA-N 1 1 288.416 3.867 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1C#N ZINC000125021937 1120592825 /nfs/dbraw/zinc/59/28/25/1120592825.db2.gz RPXIVNNQHBZNJC-QGZVFWFLSA-N 1 1 292.382 3.556 20 30 CHEDMO CCCCCCCCC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000759871146 1120596671 /nfs/dbraw/zinc/59/66/71/1120596671.db2.gz UKEZITGIJYBHJC-CRAIPNDOSA-N 1 1 273.486 3.580 20 30 CHEDMO CC(C)c1ccc(C[N@@H+](CCOCCC#N)C2CC2)cc1 ZINC000338880676 1120601999 /nfs/dbraw/zinc/60/19/99/1120601999.db2.gz NSJZIZYMPUTMPQ-UHFFFAOYSA-N 1 1 286.419 3.705 20 30 CHEDMO C=CCOCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000338888595 1120620794 /nfs/dbraw/zinc/62/07/94/1120620794.db2.gz SUOGGTKCFTWQQI-BBRMVZONSA-N 1 1 275.392 3.570 20 30 CHEDMO N#Cc1csc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000511663021 1120622762 /nfs/dbraw/zinc/62/27/62/1120622762.db2.gz LBQZWVGNSNTBQI-DOOHLRMFSA-N 1 1 272.417 3.630 20 30 CHEDMO CCc1oc2ccccc2c1C[NH2+][C@@H](CC)CC#N ZINC000054183521 1120637078 /nfs/dbraw/zinc/63/70/78/1120637078.db2.gz RKTRPARUPQQEFP-LBPRGKRZSA-N 1 1 256.349 3.777 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1ncccc1Cl ZINC000625183962 1120643723 /nfs/dbraw/zinc/64/37/23/1120643723.db2.gz BQKYGPBMRSTBSY-UHFFFAOYSA-N 1 1 252.789 3.913 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ncccc1Cl ZINC000625183962 1120643724 /nfs/dbraw/zinc/64/37/24/1120643724.db2.gz BQKYGPBMRSTBSY-UHFFFAOYSA-N 1 1 252.789 3.913 20 30 CHEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000511806046 1120651663 /nfs/dbraw/zinc/65/16/63/1120651663.db2.gz HWYMJPSJUWCPBQ-INIZCTEOSA-N 1 1 292.467 3.502 20 30 CHEDMO C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(C#N)s1 ZINC000131298869 1120653979 /nfs/dbraw/zinc/65/39/79/1120653979.db2.gz IQFJYRZBHCTVFR-UHFFFAOYSA-N 1 1 282.368 3.998 20 30 CHEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(C#N)s1 ZINC000131298869 1120653983 /nfs/dbraw/zinc/65/39/83/1120653983.db2.gz IQFJYRZBHCTVFR-UHFFFAOYSA-N 1 1 282.368 3.998 20 30 CHEDMO Cc1cc(C#N)cc(C)c1-c1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001222635590 1120662975 /nfs/dbraw/zinc/66/29/75/1120662975.db2.gz AASVRQGPHLUGSD-UHFFFAOYSA-N 1 1 291.276 3.838 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429113953 1120663485 /nfs/dbraw/zinc/66/34/85/1120663485.db2.gz JMYXLSVQWVQDPM-CABCVRRESA-N 1 1 292.382 3.902 20 30 CHEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162762530 1120692550 /nfs/dbraw/zinc/69/25/50/1120692550.db2.gz CEKYUZIZTSAKLP-VIFPVBQESA-N 1 1 289.766 3.667 20 30 CHEDMO C=CCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000132517918 1120692768 /nfs/dbraw/zinc/69/27/68/1120692768.db2.gz BAUFOVZIHWCJGM-ZDUSSCGKSA-N 1 1 256.349 3.583 20 30 CHEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)cc1Cl ZINC000162891354 1120695674 /nfs/dbraw/zinc/69/56/74/1120695674.db2.gz JXUKVCLEMWCSPD-UHFFFAOYSA-N 1 1 294.826 3.849 20 30 CHEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162910783 1120695683 /nfs/dbraw/zinc/69/56/83/1120695683.db2.gz SQIMSOTWLLAUOR-UHFFFAOYSA-N 1 1 250.773 3.832 20 30 CHEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1 ZINC000625529933 1120699734 /nfs/dbraw/zinc/69/97/34/1120699734.db2.gz ZGHNMILZXLBGHD-JSGCOSHPSA-N 1 1 275.396 3.562 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000618752377 1128936333 /nfs/dbraw/zinc/93/63/33/1128936333.db2.gz UJZXLTPBSAFAAR-HNNXBMFYSA-N 1 1 281.440 3.644 20 30 CHEDMO C[C@@H](c1cccnc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000093236117 1120738007 /nfs/dbraw/zinc/73/80/07/1120738007.db2.gz PZJYSWFTJJPDEJ-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000093236117 1120738013 /nfs/dbraw/zinc/73/80/13/1120738013.db2.gz PZJYSWFTJJPDEJ-AWEZNQCLSA-N 1 1 284.790 3.780 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000661381369 1120759490 /nfs/dbraw/zinc/75/94/90/1120759490.db2.gz JROCWDSBTYNFBU-MRXNPFEDSA-N 1 1 293.414 3.932 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2oc(CCC)nc2C)C1 ZINC000661383505 1120759791 /nfs/dbraw/zinc/75/97/91/1120759791.db2.gz DJJZZGNRUNDYEP-CQSZACIVSA-N 1 1 262.397 3.724 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000661380004 1120760159 /nfs/dbraw/zinc/76/01/59/1120760159.db2.gz KNOUXFUQCALNRD-CYBMUJFWSA-N 1 1 292.810 3.567 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000661380004 1120760160 /nfs/dbraw/zinc/76/01/60/1120760160.db2.gz KNOUXFUQCALNRD-CYBMUJFWSA-N 1 1 292.810 3.567 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511897600 1120815554 /nfs/dbraw/zinc/81/55/54/1120815554.db2.gz UEFOEYZZNSKZCQ-BRWVUGGUSA-N 1 1 266.388 3.558 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000473149311 1120819455 /nfs/dbraw/zinc/81/94/55/1120819455.db2.gz XFXIEQADROHUTN-UHFFFAOYSA-N 1 1 258.818 3.975 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000473149311 1120819457 /nfs/dbraw/zinc/81/94/57/1120819457.db2.gz XFXIEQADROHUTN-UHFFFAOYSA-N 1 1 258.818 3.975 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C(C)(C)C)o1 ZINC000662081210 1120870576 /nfs/dbraw/zinc/87/05/76/1120870576.db2.gz VAJCXFRVDFSMLP-BETUJISGSA-N 1 1 260.381 3.655 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000662078063 1120871618 /nfs/dbraw/zinc/87/16/18/1120871618.db2.gz HFWLHFNGMIGFIS-RYQLBKOJSA-N 1 1 298.430 3.611 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1Cc1ccccc1 ZINC000662083319 1120871979 /nfs/dbraw/zinc/87/19/79/1120871979.db2.gz CNKJZONLYDMVQT-HDICACEKSA-N 1 1 293.414 3.614 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CCOC)c1ccccc1 ZINC000662087680 1120872618 /nfs/dbraw/zinc/87/26/18/1120872618.db2.gz HTCRZVMQBTWRMQ-FGTMMUONSA-N 1 1 271.404 3.947 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662238090 1120908890 /nfs/dbraw/zinc/90/88/90/1120908890.db2.gz RCNAPAMUDKXLNY-AVGNSLFASA-N 1 1 279.346 3.773 20 30 CHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@H](C)CCC#N)C2)c1 ZINC000602685797 1120940396 /nfs/dbraw/zinc/94/03/96/1120940396.db2.gz MJEBQXOBKZBTRN-DJIMGWMZSA-N 1 1 286.419 3.813 20 30 CHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C)C(C)(C)C ZINC000661757012 1120974254 /nfs/dbraw/zinc/97/42/54/1120974254.db2.gz BEQQFXHHVNVMBE-UHFFFAOYSA-N 1 1 274.408 3.610 20 30 CHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC2(CC#N)CC2)C1(CC)CC ZINC001167820276 1120985557 /nfs/dbraw/zinc/98/55/57/1120985557.db2.gz SBIQOTYOHIYNSF-LSDHHAIUSA-N 1 1 278.440 3.596 20 30 CHEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000929333583 1121022876 /nfs/dbraw/zinc/02/28/76/1121022876.db2.gz PTFKSRPAWMPCNX-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000625701091 1121061125 /nfs/dbraw/zinc/06/11/25/1121061125.db2.gz MYXFSCXJNTVREM-LBPRGKRZSA-N 1 1 274.389 3.801 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000625699958 1121061998 /nfs/dbraw/zinc/06/19/98/1121061998.db2.gz FPJWDYYLWDPJND-LBPRGKRZSA-N 1 1 264.438 3.839 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000625703047 1121063529 /nfs/dbraw/zinc/06/35/29/1121063529.db2.gz KMTLGPYDLYABAK-ZDUSSCGKSA-N 1 1 270.351 3.772 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000625704888 1121065490 /nfs/dbraw/zinc/06/54/90/1121065490.db2.gz VPYHXICZHJRRDW-AWEZNQCLSA-N 1 1 252.361 3.633 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001174890240 1121069151 /nfs/dbraw/zinc/06/91/51/1121069151.db2.gz GENHGIPGGAIDNF-NSHDSACASA-N 1 1 253.748 3.877 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC001174891777 1121080938 /nfs/dbraw/zinc/08/09/38/1121080938.db2.gz WEKKELDDEFWVMS-OAHLLOKOSA-N 1 1 295.430 3.699 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000773424741 1121090330 /nfs/dbraw/zinc/09/03/30/1121090330.db2.gz OASHNCDIZSLHRP-KGLIPLIRSA-N 1 1 265.422 3.602 20 30 CHEDMO CCC(CC)CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001174957315 1121110816 /nfs/dbraw/zinc/11/08/16/1121110816.db2.gz SOUXYYSWSWEWDZ-SFHVURJKSA-N 1 1 288.435 3.740 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cc(C(C)C)no1)c1ccc(C#N)cc1 ZINC000618567976 1121140741 /nfs/dbraw/zinc/14/07/41/1121140741.db2.gz BOBSJAMMDGVNFO-MRXNPFEDSA-N 1 1 283.375 3.911 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(C)cc1 ZINC001175034848 1121152759 /nfs/dbraw/zinc/15/27/59/1121152759.db2.gz 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QQRAYCBOBAGAGT-AWEZNQCLSA-N 1 1 281.403 3.612 20 30 CHEDMO COC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000614183829 1121511373 /nfs/dbraw/zinc/51/13/73/1121511373.db2.gz HHKCZMGUPLPBRF-MRXNPFEDSA-N 1 1 298.386 3.558 20 30 CHEDMO C[C@H]1c2cccn2CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411142228 1121523689 /nfs/dbraw/zinc/52/36/89/1121523689.db2.gz GBECGPFFHYCTCE-HNNXBMFYSA-N 1 1 271.408 3.729 20 30 CHEDMO C[C@H]1c2cccn2CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411142228 1121523694 /nfs/dbraw/zinc/52/36/94/1121523694.db2.gz GBECGPFFHYCTCE-HNNXBMFYSA-N 1 1 271.408 3.729 20 30 CHEDMO CCC[N@@H+](CCCSCC#N)CC1CCCCC1 ZINC000466724101 1121570580 /nfs/dbraw/zinc/57/05/80/1121570580.db2.gz CQUZLWZCOUJXDM-UHFFFAOYSA-N 1 1 268.470 3.926 20 30 CHEDMO C=C(C)CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000509328197 1121532773 /nfs/dbraw/zinc/53/27/73/1121532773.db2.gz PBKWROTVXWXQNY-QGZVFWFLSA-N 1 1 277.383 3.773 20 30 CHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000466693974 1121548324 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C=CCn1cc(Nc2ccc([NH+](CC)CC)cc2)cn1 ZINC001176544890 1121640244 /nfs/dbraw/zinc/64/02/44/1121640244.db2.gz JMAYDSUBFSPMDE-UHFFFAOYSA-N 1 1 270.380 3.659 20 30 CHEDMO Cc1cc(C)cc(OCCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000433308615 1121645159 /nfs/dbraw/zinc/64/51/59/1121645159.db2.gz ZGFLHBAKMZQZAI-UHFFFAOYSA-N 1 1 274.408 3.554 20 30 CHEDMO N#CC1(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC1 ZINC000611430611 1121647333 /nfs/dbraw/zinc/64/73/33/1121647333.db2.gz NEVCDNANGQBQHZ-HNNXBMFYSA-N 1 1 279.387 3.651 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611433173 1121647369 /nfs/dbraw/zinc/64/73/69/1121647369.db2.gz OWLQMSFCZAMTDF-SECBINFHSA-N 1 1 269.175 3.948 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1F ZINC000611502391 1121652192 /nfs/dbraw/zinc/65/21/92/1121652192.db2.gz RXAMTTLIOYUGJF-CJNGLKHVSA-N 1 1 274.383 3.668 20 30 CHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCC(C)(C)C#N ZINC000611554284 1121655861 /nfs/dbraw/zinc/65/58/61/1121655861.db2.gz 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CC[N@@H+](C[C@H](C)C#N)C[C@H](c1ccccc1)C(C)C ZINC000474146988 1123470318 /nfs/dbraw/zinc/47/03/18/1123470318.db2.gz ZQYBBRNIDIXRKS-WBVHZDCISA-N 1 1 258.409 3.908 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CCCOC)C(C)(C)C)cc1 ZINC000474159228 1123474755 /nfs/dbraw/zinc/47/47/55/1123474755.db2.gz OIRFINKRDTXKPV-UHFFFAOYSA-N 1 1 291.435 3.888 20 30 CHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000428291194 1123486003 /nfs/dbraw/zinc/48/60/03/1123486003.db2.gz PVXXDXXFJHXFER-MRXNPFEDSA-N 1 1 286.375 4.000 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895562089 1123492099 /nfs/dbraw/zinc/49/20/99/1123492099.db2.gz ARTVDILCKMLNEM-NSHDSACASA-N 1 1 267.294 3.609 20 30 CHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474236778 1123492446 /nfs/dbraw/zinc/49/24/46/1123492446.db2.gz XOACUGIQDJPYHV-AEFFLSMTSA-N 1 1 273.420 3.767 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000025359708 1123503171 /nfs/dbraw/zinc/50/31/71/1123503171.db2.gz 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CCC[N@H+](Cc1ncc(CC)s1)Cc1ccc(C#N)cc1 ZINC000346140174 1123666681 /nfs/dbraw/zinc/66/66/81/1123666681.db2.gz WZZUUZFMFQHGTM-UHFFFAOYSA-N 1 1 299.443 3.989 20 30 CHEDMO CCC[N@@H+](Cc1ncc(CC)s1)Cc1ccc(C#N)cc1 ZINC000346140174 1123666684 /nfs/dbraw/zinc/66/66/84/1123666684.db2.gz WZZUUZFMFQHGTM-UHFFFAOYSA-N 1 1 299.443 3.989 20 30 CHEDMO CCC1(CC)CCC[N@@H+](CCCSCC#N)CC1 ZINC000346491059 1123690561 /nfs/dbraw/zinc/69/05/61/1123690561.db2.gz OEULCLWESRQBOE-UHFFFAOYSA-N 1 1 268.470 3.926 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000862445230 1123810705 /nfs/dbraw/zinc/81/07/05/1123810705.db2.gz ORISUOYRKRMLAP-CYBMUJFWSA-N 1 1 274.433 3.646 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000862444954 1123810833 /nfs/dbraw/zinc/81/08/33/1123810833.db2.gz JKQWKBWMDWYRDJ-LBPRGKRZSA-N 1 1 288.441 3.717 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000862444996 1123811099 /nfs/dbraw/zinc/81/10/99/1123811099.db2.gz JWEKPNNABGRNCI-JTQLQIEISA-N 1 1 273.323 3.612 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POZBZFYOQOADFZ-SNVBAGLBSA-N 1 1 288.288 3.586 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC(C)(C)OC1(C)C ZINC000877916619 1125101370 /nfs/dbraw/zinc/10/13/70/1125101370.db2.gz HCPFHVOBCAWBRF-MRXNPFEDSA-N 1 1 286.419 3.584 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](C)CC1)c1ccccc1 ZINC000878002066 1125112376 /nfs/dbraw/zinc/11/23/76/1125112376.db2.gz MCSKQEQHADLNGX-APWZRJJASA-N 1 1 298.430 3.549 20 30 CHEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878159772 1125124961 /nfs/dbraw/zinc/12/49/61/1125124961.db2.gz UIOOQEWDQIXRKF-ZWKOTPCHSA-N 1 1 284.403 3.532 20 30 CHEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878159772 1125124963 /nfs/dbraw/zinc/12/49/63/1125124963.db2.gz UIOOQEWDQIXRKF-ZWKOTPCHSA-N 1 1 284.403 3.532 20 30 CHEDMO CC(C)(C)SCCC[N@@H+](CCC#N)CC1CC1 ZINC000878159048 1125125092 /nfs/dbraw/zinc/12/50/92/1125125092.db2.gz CFESMYRNQCXCMA-UHFFFAOYSA-N 1 1 254.443 3.534 20 30 CHEDMO C[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CCO1 ZINC001168126986 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C=CC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000878701623 1125174116 /nfs/dbraw/zinc/17/41/16/1125174116.db2.gz UAURJGLFZQAQKT-QWHCGFSZSA-N 1 1 291.357 3.632 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878886731 1125183489 /nfs/dbraw/zinc/18/34/89/1125183489.db2.gz OEPIXNNVKIPLFZ-QXAKKESOSA-N 1 1 298.430 3.922 20 30 CHEDMO CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001137139093 1125185364 /nfs/dbraw/zinc/18/53/64/1125185364.db2.gz FSWRTXKBTSXMQL-OAHLLOKOSA-N 1 1 272.392 3.599 20 30 CHEDMO CC(C)[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000530939002 1125188583 /nfs/dbraw/zinc/18/85/83/1125188583.db2.gz IIMWWUQZVNAQNO-UHFFFAOYSA-N 1 1 298.817 3.997 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000530939002 1125188587 /nfs/dbraw/zinc/18/85/87/1125188587.db2.gz IIMWWUQZVNAQNO-UHFFFAOYSA-N 1 1 298.817 3.997 20 30 CHEDMO C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@H]1CCC[C@H]1C#N ZINC000879309518 1125208199 /nfs/dbraw/zinc/20/81/99/1125208199.db2.gz 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ZINC000879752302 1125231273 /nfs/dbraw/zinc/23/12/73/1125231273.db2.gz OOLAIMYEVDTYJW-LJQANCHMSA-N 1 1 291.398 3.641 20 30 CHEDMO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000880012130 1125245558 /nfs/dbraw/zinc/24/55/58/1125245558.db2.gz MGUDVXDNSUUZJW-XJKSGUPXSA-N 1 1 297.427 3.874 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H](c3nccs3)C2)CCCCC1 ZINC000880321617 1125266270 /nfs/dbraw/zinc/26/62/70/1125266270.db2.gz YQJJWFWCHGZLNJ-CQSZACIVSA-N 1 1 289.448 3.797 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@H+]1CCCSCC#N ZINC000880371372 1125268758 /nfs/dbraw/zinc/26/87/58/1125268758.db2.gz GMAZSDSWOZVBCJ-MRXNPFEDSA-N 1 1 274.433 3.644 20 30 CHEDMO Cc1csc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001137156970 1125283236 /nfs/dbraw/zinc/28/32/36/1125283236.db2.gz GOVLUYGPSZMXMV-UHFFFAOYSA-N 1 1 256.374 3.560 20 30 CHEDMO Cn1cc(C[N@@H+](C)Cc2csc3ccccc23)cc1C#N ZINC000191218735 1125322968 /nfs/dbraw/zinc/32/29/68/1125322968.db2.gz AARKTZXGWXDCMQ-UHFFFAOYSA-N 1 1 295.411 3.743 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000129154850 1125326100 /nfs/dbraw/zinc/32/61/00/1125326100.db2.gz MXTJZFOAFAWPOQ-JTQLQIEISA-N 1 1 281.197 3.649 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)c2cccnc12 ZINC000191762325 1125327714 /nfs/dbraw/zinc/32/77/14/1125327714.db2.gz YSOGAQMXEGMUDK-UHFFFAOYSA-N 1 1 290.794 3.523 20 30 CHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000666238554 1125338217 /nfs/dbraw/zinc/33/82/17/1125338217.db2.gz MPMBCFKRKCERRC-BBRMVZONSA-N 1 1 269.392 3.556 20 30 CHEDMO C[N@H+](Cc1ccc(CC#N)cc1)CC1CCCCC1 ZINC000398980170 1125338962 /nfs/dbraw/zinc/33/89/62/1125338962.db2.gz FOWLIZTYEPSVES-UHFFFAOYSA-N 1 1 256.393 3.765 20 30 CHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000398997237 1125339020 /nfs/dbraw/zinc/33/90/20/1125339020.db2.gz QBVMWROSLHAVFQ-WMLDXEAASA-N 1 1 256.393 3.763 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000399240621 1125339122 /nfs/dbraw/zinc/33/91/22/1125339122.db2.gz UBBYFIYOLYDWMV-DLBZAZTESA-N 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20 30 CHEDMO C=CCCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC001209160275 1133982569 /nfs/dbraw/zinc/98/25/69/1133982569.db2.gz MQSMXVFUVQTJNQ-UHFFFAOYSA-N 1 1 280.209 3.773 20 30 CHEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001209164600 1133983492 /nfs/dbraw/zinc/98/34/92/1133983492.db2.gz FEHLFTLNFUKUIC-MRXNPFEDSA-N 1 1 273.376 3.576 20 30 CHEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001209201413 1133986741 /nfs/dbraw/zinc/98/67/41/1133986741.db2.gz LBEODYNWZFEYJH-OAHLLOKOSA-N 1 1 296.455 3.722 20 30 CHEDMO C=CCCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001209207953 1133989079 /nfs/dbraw/zinc/98/90/79/1133989079.db2.gz ILCDRCLBVGDAFW-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO C=CCCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001209207953 1133989083 /nfs/dbraw/zinc/98/90/83/1133989083.db2.gz ILCDRCLBVGDAFW-INIZCTEOSA-N 1 1 263.356 3.555 20 30 CHEDMO C=C(C)C[N@@H+](CC)CCc1cc(F)c(F)cc1F ZINC001209251066 1133996370 /nfs/dbraw/zinc/99/63/70/1133996370.db2.gz AYOMTGHGVYBRDO-UHFFFAOYSA-N 1 1 257.299 3.544 20 30 CHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC001209266240 1133999763 /nfs/dbraw/zinc/99/97/63/1133999763.db2.gz TWHOJQCVFMIYJL-QGZVFWFLSA-N 1 1 257.377 3.636 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001209282695 1134002500 /nfs/dbraw/zinc/00/25/00/1134002500.db2.gz GIFWYOHSRRFBTO-CYBMUJFWSA-N 1 1 296.336 3.874 20 30 CHEDMO C=CCCCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001209422950 1134015488 /nfs/dbraw/zinc/01/54/88/1134015488.db2.gz LMVKLSAZPVQHOF-UHFFFAOYSA-N 1 1 284.444 3.579 20 30 CHEDMO C=CCCCCC[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001209423459 1134015702 /nfs/dbraw/zinc/01/57/02/1134015702.db2.gz RLUQGRVUZDBBOF-UHFFFAOYSA-N 1 1 254.377 3.663 20 30 CHEDMO C=CCCCCC[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001209432530 1134018579 /nfs/dbraw/zinc/01/85/79/1134018579.db2.gz GFUTWYSARVQHIU-QGZVFWFLSA-N 1 1 271.404 3.938 20 30 CHEDMO C=CCCCCCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001209435186 1134018642 /nfs/dbraw/zinc/01/86/42/1134018642.db2.gz FWFFWLHLLABHFS-MRXNPFEDSA-N 1 1 251.414 3.625 20 30 CHEDMO C=CCCCCCC[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001209435748 1134019171 /nfs/dbraw/zinc/01/91/71/1134019171.db2.gz IQAPRLIGRSVPBW-UHFFFAOYSA-N 1 1 287.403 3.925 20 30 CHEDMO C=CCCCCCC[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001209435748 1134019177 /nfs/dbraw/zinc/01/91/77/1134019177.db2.gz IQAPRLIGRSVPBW-UHFFFAOYSA-N 1 1 287.403 3.925 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCc2ccncc2C1 ZINC001209439017 1134020895 /nfs/dbraw/zinc/02/08/95/1134020895.db2.gz FURYPAIRPZSLMA-UHFFFAOYSA-N 1 1 258.409 3.966 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001209444911 1134021640 /nfs/dbraw/zinc/02/16/40/1134021640.db2.gz AEQNNFKHPALBJA-MRXNPFEDSA-N 1 1 281.440 3.788 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001209441928 1134021514 /nfs/dbraw/zinc/02/15/14/1134021514.db2.gz QEAGZYYRKQVLIE-GOSISDBHSA-N 1 1 292.467 3.648 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001209443203 1134021522 /nfs/dbraw/zinc/02/15/22/1134021522.db2.gz OVUOLJOQOXLIJV-DLBZAZTESA-N 1 1 266.473 3.928 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@H](C)C1 ZINC001209443642 1134022267 /nfs/dbraw/zinc/02/22/67/1134022267.db2.gz YGBAERZQBDIMCR-MRXNPFEDSA-N 1 1 253.430 3.871 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209441316 1134022511 /nfs/dbraw/zinc/02/25/11/1134022511.db2.gz HLHCUJWESJCESB-SFHVURJKSA-N 1 1 288.435 3.982 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209441316 1134022514 /nfs/dbraw/zinc/02/25/14/1134022514.db2.gz HLHCUJWESJCESB-SFHVURJKSA-N 1 1 288.435 3.982 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001209445803 1134023530 /nfs/dbraw/zinc/02/35/30/1134023530.db2.gz OJVSKFSDJGYBGJ-KRWDZBQOSA-N 1 1 292.467 3.600 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001209445531 1134024427 /nfs/dbraw/zinc/02/44/27/1134024427.db2.gz KZAWAASXLCIURI-KRWDZBQOSA-N 1 1 290.455 3.832 20 30 CHEDMO C=CC[N@H+](Cc1cc(F)c(O)c(OC)c1)C1CCCCC1 ZINC001209529026 1134034341 /nfs/dbraw/zinc/03/43/41/1134034341.db2.gz QXOXOONNOIPIKB-UHFFFAOYSA-N 1 1 293.382 3.861 20 30 CHEDMO N#Cc1cc(Cl)cc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209848144 1134080388 /nfs/dbraw/zinc/08/03/88/1134080388.db2.gz GGMBQRCPBWKQKS-UHFFFAOYSA-N 1 1 268.707 3.832 20 30 CHEDMO Cc1[nH+]ccn1-c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC001210151313 1134157913 /nfs/dbraw/zinc/15/79/13/1134157913.db2.gz FFCNILCQDHJUBX-UHFFFAOYSA-N 1 1 295.386 3.866 20 30 CHEDMO CCc1cc(Nc2[nH+]c(C)ccc2C)ccc1C#N ZINC001216316082 1134849617 /nfs/dbraw/zinc/84/96/17/1134849617.db2.gz YALPGRFREXPOQI-UHFFFAOYSA-N 1 1 251.333 3.876 20 30 CHEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001217757768 1134994905 /nfs/dbraw/zinc/99/49/05/1134994905.db2.gz SOOIARWBEOXIPG-HNNXBMFYSA-N 1 1 297.402 3.837 20 30 CHEDMO CCCCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222596645 1135253865 /nfs/dbraw/zinc/25/38/65/1135253865.db2.gz ZIDOCOKSWIBABD-SFHVURJKSA-N 1 1 286.463 3.646 20 30 CHEDMO CCCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222596645 1135253870 /nfs/dbraw/zinc/25/38/70/1135253870.db2.gz ZIDOCOKSWIBABD-SFHVURJKSA-N 1 1 286.463 3.646 20 30 CHEDMO CC[N@H+]1CCC[C@@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224030128 1135412955 /nfs/dbraw/zinc/41/29/55/1135412955.db2.gz ZGZXFUBIIBGYIJ-QGZVFWFLSA-N 1 1 294.398 3.712 20 30 CHEDMO C=CCCCCCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224364623 1135442764 /nfs/dbraw/zinc/44/27/64/1135442764.db2.gz YQGSPNIFORSYCJ-ZSHCYNCHSA-N 1 1 251.414 3.765 20 30 CHEDMO C=CCCCCCCCO[C@H]1CCc2[nH+]ccn2C1 ZINC001224507170 1135454712 /nfs/dbraw/zinc/45/47/12/1135454712.db2.gz CYIYMAFMSOUBQG-HNNXBMFYSA-N 1 1 262.397 3.741 20 30 CHEDMO C=CCCCO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001224514464 1135455752 /nfs/dbraw/zinc/45/57/52/1135455752.db2.gz VMKSQQBLIGSYIM-AEFFLSMTSA-N 1 1 273.420 3.880 20 30 CHEDMO C=CCOc1ccccc1[C@H](C)OC[C@@H]1CCCC[N@H+]1C ZINC001224707428 1135472001 /nfs/dbraw/zinc/47/20/01/1135472001.db2.gz RDOGKIMDFQESGT-HOTGVXAUSA-N 1 1 289.419 3.813 20 30 CHEDMO CC1(C)CC(CO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001224770735 1135480590 /nfs/dbraw/zinc/48/05/90/1135480590.db2.gz ZSFRTBLAKZKQCO-SFHVURJKSA-N 1 1 298.430 3.585 20 30 CHEDMO CC1(C)CC(CO[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001224770735 1135480593 /nfs/dbraw/zinc/48/05/93/1135480593.db2.gz ZSFRTBLAKZKQCO-SFHVURJKSA-N 1 1 298.430 3.585 20 30 CHEDMO N#C[C@@H]1CC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830074 1135487392 /nfs/dbraw/zinc/48/73/92/1135487392.db2.gz MCKZWQHTGQZBIL-CEXWTWQISA-N 1 1 298.430 3.607 20 30 CHEDMO N#C[C@H]1CC[C@@H](OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224830075 1135487400 /nfs/dbraw/zinc/48/74/00/1135487400.db2.gz MCKZWQHTGQZBIL-GBESFXJTSA-N 1 1 298.430 3.607 20 30 CHEDMO C#C[C@@H](Oc1cccnc1C[NH+](C)C)[C@@H](CC)CCCC ZINC001225278718 1135534305 /nfs/dbraw/zinc/53/43/05/1135534305.db2.gz PSPXJGGMWNDKFY-DOTOQJQBSA-N 1 1 288.435 3.740 20 30 CHEDMO C=CC[C@@H](CCCC)Oc1cccnc1C[NH+](C)C ZINC001225281652 1135534976 /nfs/dbraw/zinc/53/49/76/1135534976.db2.gz HSLYEVWYDINLIE-AWEZNQCLSA-N 1 1 262.397 3.657 20 30 CHEDMO C=C[C@@H](CCCCC)Oc1cccnc1C[NH+](C)C ZINC001225281148 1135535006 /nfs/dbraw/zinc/53/50/06/1135535006.db2.gz VTDWJVIEKXSEMV-AWEZNQCLSA-N 1 1 262.397 3.657 20 30 CHEDMO C#C[C@H](CCCCC)Oc1cc(N)[nH+]c2ccccc21 ZINC001226418875 1135694424 /nfs/dbraw/zinc/69/44/24/1135694424.db2.gz RLNHUSPAKTZKMM-CYBMUJFWSA-N 1 1 268.360 3.778 20 30 CHEDMO CCC1(CC)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000721239171 1135824567 /nfs/dbraw/zinc/82/45/67/1135824567.db2.gz FXXNATBSYVMLPH-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCCC#N)C2CC2)o1 ZINC000051183297 260208829 /nfs/dbraw/zinc/20/88/29/260208829.db2.gz OUZUHVSCGKMECP-DOMZBBRYSA-N 1 1 258.365 3.671 20 30 CHEDMO C[N@H+](Cc1ccc[nH]1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356126689 529992451 /nfs/dbraw/zinc/99/24/51/529992451.db2.gz NHKUCKBRGHZRKQ-UHFFFAOYSA-N 1 1 293.292 3.537 20 30 CHEDMO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356126689 529992452 /nfs/dbraw/zinc/99/24/52/529992452.db2.gz NHKUCKBRGHZRKQ-UHFFFAOYSA-N 1 1 293.292 3.537 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000122886101 187057447 /nfs/dbraw/zinc/05/74/47/187057447.db2.gz MNXZGNCHIYFRGF-CQSZACIVSA-N 1 1 250.345 3.751 20 30 CHEDMO Cc1cnc(C(C)(C)[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000182451291 261938450 /nfs/dbraw/zinc/93/84/50/261938450.db2.gz NLTASBZMJREMEB-GFCCVEGCSA-N 1 1 285.416 3.909 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000347242846 533497025 /nfs/dbraw/zinc/49/70/25/533497025.db2.gz BOOARBLAZVKFOS-QGZVFWFLSA-N 1 1 278.355 3.514 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000347242846 533497028 /nfs/dbraw/zinc/49/70/28/533497028.db2.gz BOOARBLAZVKFOS-QGZVFWFLSA-N 1 1 278.355 3.514 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CCCCCC1 ZINC000035175702 172028289 /nfs/dbraw/zinc/02/82/89/172028289.db2.gz MQKQUUIJSBVPMF-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO C[C@]12CC[N@@H+](CCC3(C#N)CCCCC3)C[C@H]1C2(F)F ZINC000334829765 225325153 /nfs/dbraw/zinc/32/51/53/225325153.db2.gz RZWSCVISBWKJRW-KGLIPLIRSA-N 1 1 282.378 3.828 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000411301602 262687250 /nfs/dbraw/zinc/68/72/50/262687250.db2.gz DKRAEMJOORWRMZ-VYDXJSESSA-N 1 1 256.393 3.632 20 30 CHEDMO Cc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1C#N ZINC000347218029 226089956 /nfs/dbraw/zinc/08/99/56/226089956.db2.gz HPIAXWPTXIBXBQ-IFXJQAMLSA-N 1 1 291.398 3.845 20 30 CHEDMO Cc1csc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)n1 ZINC000348109258 226416102 /nfs/dbraw/zinc/41/61/02/226416102.db2.gz KVSHDIUQMDTDDY-LBPRGKRZSA-N 1 1 290.819 3.807 20 30 CHEDMO N#Cc1csc(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000336487465 227058716 /nfs/dbraw/zinc/05/87/16/227058716.db2.gz LSWRLPCJEPJAQS-UHFFFAOYSA-N 1 1 270.357 3.502 20 30 CHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334156864 227336834 /nfs/dbraw/zinc/33/68/34/227336834.db2.gz ZUQOPLCOWUGCJK-SCLBCKFNSA-N 1 1 295.361 3.675 20 30 CHEDMO O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330129674 228045324 /nfs/dbraw/zinc/04/53/24/228045324.db2.gz KDNCGAGRHVYXFU-INIZCTEOSA-N 1 1 298.390 3.558 20 30 CHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000353125400 228062016 /nfs/dbraw/zinc/06/20/16/228062016.db2.gz BBDOCEHHMSFCQY-HNNXBMFYSA-N 1 1 282.412 3.918 20 30 CHEDMO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332389690 228157784 /nfs/dbraw/zinc/15/77/84/228157784.db2.gz LIVQIUAVHYMGKI-HRCADAONSA-N 1 1 298.434 3.873 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C(C)(C)C1 ZINC000353855757 228159346 /nfs/dbraw/zinc/15/93/46/228159346.db2.gz ONLXCSXIJQPHTL-HNNXBMFYSA-N 1 1 286.419 3.990 20 30 CHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC1(C#N)CC1 ZINC000352246184 228206298 /nfs/dbraw/zinc/20/62/98/228206298.db2.gz NGDKTWIQGPFHFQ-ZBFHGGJFSA-N 1 1 284.403 3.772 20 30 CHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC1(C#N)CC1 ZINC000352246184 228206299 /nfs/dbraw/zinc/20/62/99/228206299.db2.gz NGDKTWIQGPFHFQ-ZBFHGGJFSA-N 1 1 284.403 3.772 20 30 CHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCc2ccccc21 ZINC000179909542 260079924 /nfs/dbraw/zinc/07/99/24/260079924.db2.gz YEACASWMWHXJJJ-MRXNPFEDSA-N 1 1 256.393 3.936 20 30 CHEDMO C[C@H](C#N)C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000049001200 260202993 /nfs/dbraw/zinc/20/29/93/260202993.db2.gz ISCJZBOIZQAMIP-CYBMUJFWSA-N 1 1 262.356 3.848 20 30 CHEDMO C[C@H](C#N)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000049001200 260202994 /nfs/dbraw/zinc/20/29/94/260202994.db2.gz ISCJZBOIZQAMIP-CYBMUJFWSA-N 1 1 262.356 3.848 20 30 CHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCCC#N)C2CC2)o1 ZINC000051183298 260208756 /nfs/dbraw/zinc/20/87/56/260208756.db2.gz OUZUHVSCGKMECP-WFASDCNBSA-N 1 1 258.365 3.671 20 30 CHEDMO COc1ccc(C[N@@H+](CCCC#N)[C@@H](C)C2CC2)cc1 ZINC000053097894 260213235 /nfs/dbraw/zinc/21/32/35/260213235.db2.gz UOYYHVNHQRNYNZ-AWEZNQCLSA-N 1 1 272.392 3.599 20 30 CHEDMO COc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)cc1C#N ZINC000087833326 260219386 /nfs/dbraw/zinc/21/93/86/260219386.db2.gz VYISMBSCKNRZNB-GFCCVEGCSA-N 1 1 298.411 3.748 20 30 CHEDMO COc1ccc(C[N@H+]2CCc3sccc3[C@H]2C)cc1C#N ZINC000087833326 260219388 /nfs/dbraw/zinc/21/93/88/260219388.db2.gz VYISMBSCKNRZNB-GFCCVEGCSA-N 1 1 298.411 3.748 20 30 CHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000517899108 260314936 /nfs/dbraw/zinc/31/49/36/260314936.db2.gz JNIQTZZBKAXCGT-LSDHHAIUSA-N 1 1 286.419 3.836 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000152642975 260661731 /nfs/dbraw/zinc/66/17/31/260661731.db2.gz JPMFMMXXXKNNBG-UHFFFAOYSA-N 1 1 295.448 3.824 20 30 CHEDMO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000112528249 260662249 /nfs/dbraw/zinc/66/22/49/260662249.db2.gz FGEUUUYBXYYAKT-LSDHHAIUSA-N 1 1 285.391 3.568 20 30 CHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000154473044 261092202 /nfs/dbraw/zinc/09/22/02/261092202.db2.gz ZJZWURLTIBBTTF-UHFFFAOYSA-N 1 1 293.414 3.668 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1CCCCCC1 ZINC000448379476 261135502 /nfs/dbraw/zinc/13/55/02/261135502.db2.gz YGZYSKOMLLNGLV-UHFFFAOYSA-N 1 1 259.368 3.832 20 30 CHEDMO Cc1c(C)c(C)c(C[N@@H+](C)[C@H](C)CC#N)c(C)c1C ZINC000361518453 261312232 /nfs/dbraw/zinc/31/22/32/261312232.db2.gz JRODHZYHFCOLFK-LLVKDONJSA-N 1 1 258.409 3.963 20 30 CHEDMO Cc1c(C)c(C)c(C[N@H+](C)[C@H](C)CC#N)c(C)c1C ZINC000361518453 261312235 /nfs/dbraw/zinc/31/22/35/261312235.db2.gz JRODHZYHFCOLFK-LLVKDONJSA-N 1 1 258.409 3.963 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C)c(Br)c1 ZINC000163696536 261326561 /nfs/dbraw/zinc/32/65/61/261326561.db2.gz PYPVAWPEMOZYRD-GFCCVEGCSA-N 1 1 281.197 3.539 20 30 CHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000497463054 262164463 /nfs/dbraw/zinc/16/44/63/262164463.db2.gz LFERQXXLJZLGRN-UHFFFAOYSA-N 1 1 294.398 3.631 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)CC1(c2ccccc2)CC1 ZINC000189326248 262170857 /nfs/dbraw/zinc/17/08/57/262170857.db2.gz OWBRLJLYTMBJBQ-UHFFFAOYSA-N 1 1 270.420 3.980 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000192177937 262199690 /nfs/dbraw/zinc/19/96/90/262199690.db2.gz YDNRVOKUGJFNJY-AWEZNQCLSA-N 1 1 288.460 3.815 20 30 CHEDMO C[N@H+](Cc1cc2cc(F)ccc2o1)CC(C)(C)C#N ZINC000354017992 262276098 /nfs/dbraw/zinc/27/60/98/262276098.db2.gz NLMBHLIICFJWSA-UHFFFAOYSA-N 1 1 260.312 3.553 20 30 CHEDMO C[N@@H+](Cc1cc2cc(F)ccc2o1)CC(C)(C)C#N ZINC000354017992 262276099 /nfs/dbraw/zinc/27/60/99/262276099.db2.gz NLMBHLIICFJWSA-UHFFFAOYSA-N 1 1 260.312 3.553 20 30 CHEDMO CC(C)(C#N)CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390794465 262346490 /nfs/dbraw/zinc/34/64/90/262346490.db2.gz ICJROSDJLRWJRW-UHFFFAOYSA-N 1 1 299.462 3.524 20 30 CHEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)C1CCOCC1 ZINC000336806426 262395620 /nfs/dbraw/zinc/39/56/20/262395620.db2.gz YSJCBKIPMQMIBZ-UHFFFAOYSA-N 1 1 266.429 3.596 20 30 CHEDMO C=C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411279869 262686639 /nfs/dbraw/zinc/68/66/39/262686639.db2.gz QWRGLOASFJJEQV-UHFFFAOYSA-N 1 1 272.323 3.633 20 30 CHEDMO CC[N@@H+](CCCCC#N)Cc1ccc(Cl)cc1 ZINC000263803440 262854132 /nfs/dbraw/zinc/85/41/32/262854132.db2.gz KOWHVODSJVTFFP-UHFFFAOYSA-N 1 1 250.773 3.856 20 30 CHEDMO CCCCOCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000437096586 263000157 /nfs/dbraw/zinc/00/01/57/263000157.db2.gz YKYMHXQUKOFGSF-ROUUACIJSA-N 1 1 286.419 3.575 20 30 CHEDMO CCCCOCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000437096586 263000158 /nfs/dbraw/zinc/00/01/58/263000158.db2.gz YKYMHXQUKOFGSF-ROUUACIJSA-N 1 1 286.419 3.575 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000271953802 263000738 /nfs/dbraw/zinc/00/07/38/263000738.db2.gz BPOJYCUJVGOADA-HOCLYGCPSA-N 1 1 256.393 3.804 20 30 CHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000272045243 263001596 /nfs/dbraw/zinc/00/15/96/263001596.db2.gz RWYNYNSUFLBMEH-RDJZCZTQSA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000272045243 263001597 /nfs/dbraw/zinc/00/15/97/263001597.db2.gz RWYNYNSUFLBMEH-RDJZCZTQSA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)CO1 ZINC000272045247 263001604 /nfs/dbraw/zinc/00/16/04/263001604.db2.gz RWYNYNSUFLBMEH-WBVHZDCISA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](C)CO1 ZINC000272045247 263001605 /nfs/dbraw/zinc/00/16/05/263001605.db2.gz RWYNYNSUFLBMEH-WBVHZDCISA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccc(OC(F)F)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272573452 263007105 /nfs/dbraw/zinc/00/71/05/263007105.db2.gz WLBYVPVCHASDHW-UHFFFAOYSA-N 1 1 294.345 3.722 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000272904809 263009757 /nfs/dbraw/zinc/00/97/57/263009757.db2.gz GSHLPZOKIIAMFB-FHLIZLRMSA-N 1 1 284.403 3.599 20 30 CHEDMO C[N@@H+](CCCCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420798 263016716 /nfs/dbraw/zinc/01/67/16/263016716.db2.gz JUENPPKRUZJZNK-IAGOWNOFSA-N 1 1 290.382 3.671 20 30 CHEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000273521723 263017674 /nfs/dbraw/zinc/01/76/74/263017674.db2.gz QRGMVWSQLQPONG-MNOVXSKESA-N 1 1 281.812 3.886 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000451987657 263019489 /nfs/dbraw/zinc/01/94/89/263019489.db2.gz JPGLVMHCXANVFA-OAHLLOKOSA-N 1 1 258.340 3.575 20 30 CHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000451987657 263019490 /nfs/dbraw/zinc/01/94/90/263019490.db2.gz JPGLVMHCXANVFA-OAHLLOKOSA-N 1 1 258.340 3.575 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)CC1(c2ccccc2)CC1 ZINC000275473811 263033307 /nfs/dbraw/zinc/03/33/07/263033307.db2.gz PGCUOQVCJYTPCU-UHFFFAOYSA-N 1 1 256.393 3.590 20 30 CHEDMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000278564438 263048960 /nfs/dbraw/zinc/04/89/60/263048960.db2.gz ISHQVBDDOXBNSH-AAEUAGOBSA-N 1 1 282.309 3.829 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278578707 263049177 /nfs/dbraw/zinc/04/91/77/263049177.db2.gz JWSWCJCPMQYSFN-GHMZBOCLSA-N 1 1 268.813 3.916 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000281114697 263066472 /nfs/dbraw/zinc/06/64/72/263066472.db2.gz WKZWTRDCXPZYOO-INIZCTEOSA-N 1 1 294.402 3.631 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000281146774 263066888 /nfs/dbraw/zinc/06/68/88/263066888.db2.gz BCZYUYNNUAJLJJ-AEFFLSMTSA-N 1 1 298.430 3.780 20 30 CHEDMO CCc1ccc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000286500124 263098596 /nfs/dbraw/zinc/09/85/96/263098596.db2.gz PQWLANCQOPROKG-IEBWSBKVSA-N 1 1 295.430 3.872 20 30 CHEDMO CCc1ccc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000286500124 263098597 /nfs/dbraw/zinc/09/85/97/263098597.db2.gz PQWLANCQOPROKG-IEBWSBKVSA-N 1 1 295.430 3.872 20 30 CHEDMO CCc1ccc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000286500132 263098705 /nfs/dbraw/zinc/09/87/05/263098705.db2.gz PQWLANCQOPROKG-PKOBYXMFSA-N 1 1 295.430 3.872 20 30 CHEDMO CCc1ccc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000286500132 263098706 /nfs/dbraw/zinc/09/87/06/263098706.db2.gz PQWLANCQOPROKG-PKOBYXMFSA-N 1 1 295.430 3.872 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCC(F)(F)C1 ZINC000340290009 263105022 /nfs/dbraw/zinc/10/50/22/263105022.db2.gz MJZVMAHBKIPLCM-CYBMUJFWSA-N 1 1 258.356 3.684 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000292756842 263134693 /nfs/dbraw/zinc/13/46/93/263134693.db2.gz IMEOSPGWIHBBKR-TXCZRRACSA-N 1 1 254.377 3.557 20 30 CHEDMO C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293215096 263138747 /nfs/dbraw/zinc/13/87/47/263138747.db2.gz VDKPPVAZKCHHOW-DZGCQCFKSA-N 1 1 262.784 3.507 20 30 CHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293347765 263139397 /nfs/dbraw/zinc/13/93/97/263139397.db2.gz DLVVMSIZGHISFB-SMDDNHRTSA-N 1 1 282.309 3.829 20 30 CHEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000293668375 263146185 /nfs/dbraw/zinc/14/61/85/263146185.db2.gz UPUQHJCZYYBVHH-BZPMIXESSA-N 1 1 260.406 3.823 20 30 CHEDMO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000294925848 263169506 /nfs/dbraw/zinc/16/95/06/263169506.db2.gz GZLRNNXKBVIYGS-QWRGUYRKSA-N 1 1 257.362 3.791 20 30 CHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C2CC2)c1 ZINC000295097983 263172364 /nfs/dbraw/zinc/17/23/64/263172364.db2.gz BLWMJAYTGYOJBQ-KBPBESRZSA-N 1 1 267.376 3.658 20 30 CHEDMO CCOc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1O ZINC000297751565 263209179 /nfs/dbraw/zinc/20/91/79/263209179.db2.gz LDNMWZBCDSFZNZ-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CCOc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1O ZINC000297751565 263209181 /nfs/dbraw/zinc/20/91/81/263209181.db2.gz LDNMWZBCDSFZNZ-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000297811259 263209981 /nfs/dbraw/zinc/20/99/81/263209981.db2.gz IMMBUYLQGGBEDO-ZDUSSCGKSA-N 1 1 258.340 3.607 20 30 CHEDMO CC[N@H+](CCC#N)[C@@H](C)c1ccc(Br)cc1 ZINC000299418943 263241861 /nfs/dbraw/zinc/24/18/61/263241861.db2.gz RHFCFRFVDCQZOF-NSHDSACASA-N 1 1 281.197 3.746 20 30 CHEDMO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(Br)cc1 ZINC000299418943 263241864 /nfs/dbraw/zinc/24/18/64/263241864.db2.gz RHFCFRFVDCQZOF-NSHDSACASA-N 1 1 281.197 3.746 20 30 CHEDMO N#CCCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000299505663 263244142 /nfs/dbraw/zinc/24/41/42/263244142.db2.gz AEXCEECBTPFSTP-GOSISDBHSA-N 1 1 279.387 3.587 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCCC2(CCOCC2)C1 ZINC000340927461 263312595 /nfs/dbraw/zinc/31/25/95/263312595.db2.gz SVDQWJHZFYKCPI-HNNXBMFYSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1nccc(C)n1)c1ccccc1 ZINC000341936986 263367210 /nfs/dbraw/zinc/36/72/10/263367210.db2.gz ADTYJRIADLRTPP-MRXNPFEDSA-N 1 1 267.376 3.582 20 30 CHEDMO COc1ccsc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425369228 264213359 /nfs/dbraw/zinc/21/33/59/264213359.db2.gz ZLFISWVBQDBMAT-LBPRGKRZSA-N 1 1 286.400 3.821 20 30 CHEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCSC2)CCCC1(C)C ZINC000425997186 264303434 /nfs/dbraw/zinc/30/34/34/264303434.db2.gz WJNHTTHDOBOOJF-UONOGXRCSA-N 1 1 253.455 3.806 20 30 CHEDMO C=CCC[C@H]([NH2+]Cc1nnc(C)n1CCC)c1ccccc1 ZINC000180051534 264394838 /nfs/dbraw/zinc/39/48/38/264394838.db2.gz YJIYCRFEAPQQQK-KRWDZBQOSA-N 1 1 298.434 3.794 20 30 CHEDMO CCC1(CC)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000094802969 265256079 /nfs/dbraw/zinc/25/60/79/265256079.db2.gz IXHKNGZFIZJYSS-UHFFFAOYSA-N 1 1 260.356 3.709 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(C)(C)CC1 ZINC000094859564 265266282 /nfs/dbraw/zinc/26/62/82/265266282.db2.gz FVOHUEINQGUQAS-UHFFFAOYSA-N 1 1 256.393 3.959 20 30 CHEDMO C=CC[N@H+](CCc1ccc(OC)cc1)Cc1cccs1 ZINC000096955779 265394080 /nfs/dbraw/zinc/39/40/80/265394080.db2.gz JAHLCVOTWRJGET-UHFFFAOYSA-N 1 1 287.428 3.987 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000516692400 266029610 /nfs/dbraw/zinc/02/96/10/266029610.db2.gz OTYWOJLVGHFPCQ-ZDUSSCGKSA-N 1 1 281.346 3.729 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cnccc1C ZINC000353382990 266038382 /nfs/dbraw/zinc/03/83/82/266038382.db2.gz QRGUWOWWKSVFIP-UHFFFAOYSA-N 1 1 258.390 3.640 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnccc1C ZINC000353382990 266038386 /nfs/dbraw/zinc/03/83/86/266038386.db2.gz QRGUWOWWKSVFIP-UHFFFAOYSA-N 1 1 258.390 3.640 20 30 CHEDMO C=CCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357036474 266236506 /nfs/dbraw/zinc/23/65/06/266236506.db2.gz KNMJOAYMHWMDCD-UHFFFAOYSA-N 1 1 285.387 3.513 20 30 CHEDMO C=CC[N@H+](CCCSC)Cc1ccccc1F ZINC000357672091 266343327 /nfs/dbraw/zinc/34/33/27/266343327.db2.gz AZLJLEWJIVXIRZ-UHFFFAOYSA-N 1 1 253.386 3.567 20 30 CHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C)c(C)s1 ZINC000357727002 266351433 /nfs/dbraw/zinc/35/14/33/266351433.db2.gz HDLDUCSHCOBYDT-UHFFFAOYSA-N 1 1 286.444 3.991 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(C)c(C)s1 ZINC000357727002 266351435 /nfs/dbraw/zinc/35/14/35/266351435.db2.gz HDLDUCSHCOBYDT-UHFFFAOYSA-N 1 1 286.444 3.991 20 30 CHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC000358275548 266446805 /nfs/dbraw/zinc/44/68/05/266446805.db2.gz GYQVVXMWEDORCK-OAHLLOKOSA-N 1 1 290.407 3.512 20 30 CHEDMO CC1(c2cccc(Cl)c2)CC[NH+](CCC#N)CC1 ZINC000361540556 266842619 /nfs/dbraw/zinc/84/26/19/266842619.db2.gz JJNJZROQHUGQAJ-UHFFFAOYSA-N 1 1 262.784 3.607 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000368439431 267172377 /nfs/dbraw/zinc/17/23/77/267172377.db2.gz UTNRCGLRDPHUEU-AWEZNQCLSA-N 1 1 260.381 3.789 20 30 CHEDMO C=CCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000117878364 267223760 /nfs/dbraw/zinc/22/37/60/267223760.db2.gz GWZTZFTUSWTMFC-OAHLLOKOSA-N 1 1 273.376 3.561 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369367745 267238244 /nfs/dbraw/zinc/23/82/44/267238244.db2.gz CGIYJNPHJBGEKY-SJORKVTESA-N 1 1 292.467 3.845 20 30 CHEDMO CCCCOc1ccccc1C[NH2+]CC1(C#N)CCC1 ZINC000418139872 267362580 /nfs/dbraw/zinc/36/25/80/267362580.db2.gz IIRBWFGPOTXQMM-UHFFFAOYSA-N 1 1 272.392 3.649 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CCC1 ZINC000418143588 267365007 /nfs/dbraw/zinc/36/50/07/267365007.db2.gz QQKLXOKDAVFDNP-UHFFFAOYSA-N 1 1 285.778 3.672 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000371332935 267391425 /nfs/dbraw/zinc/39/14/25/267391425.db2.gz RZGHQGMBNFRHJJ-HOCLYGCPSA-N 1 1 296.370 3.560 20 30 CHEDMO C=CCOc1ccc(CNc2cccc(C)[nH+]2)cc1 ZINC000121586987 267690590 /nfs/dbraw/zinc/69/05/90/267690590.db2.gz YNTFIIKAHFFXMI-UHFFFAOYSA-N 1 1 254.333 3.567 20 30 CHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000377111534 268048855 /nfs/dbraw/zinc/04/88/55/268048855.db2.gz ICPHBICSZNRNQQ-FUHWJXTLSA-N 1 1 290.451 3.599 20 30 CHEDMO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)C#N ZINC000580097908 327698090 /nfs/dbraw/zinc/69/80/90/327698090.db2.gz LIOWXXALRRDVCV-SEVUFMINSA-N 1 1 282.309 3.858 20 30 CHEDMO Cn1c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2[nH+]c1C1CC1 ZINC000185890522 327850081 /nfs/dbraw/zinc/85/00/81/327850081.db2.gz ITAXZFDXRRFQLL-TZMCWYRMSA-N 1 1 294.402 3.945 20 30 CHEDMO CCCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000534336679 328049345 /nfs/dbraw/zinc/04/93/45/328049345.db2.gz UGHISQSCDRQSGA-UHFFFAOYSA-N 1 1 294.398 3.979 20 30 CHEDMO CCCOc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000534341784 328049824 /nfs/dbraw/zinc/04/98/24/328049824.db2.gz PGQNEEFXIQDKED-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO CCCOc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000534341784 328049825 /nfs/dbraw/zinc/04/98/25/328049825.db2.gz PGQNEEFXIQDKED-UHFFFAOYSA-N 1 1 290.407 3.608 20 30 CHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000571427707 328121462 /nfs/dbraw/zinc/12/14/62/328121462.db2.gz LZBMJAOWOHKMBS-UHFFFAOYSA-N 1 1 270.298 3.687 20 30 CHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000571427707 328121463 /nfs/dbraw/zinc/12/14/63/328121463.db2.gz LZBMJAOWOHKMBS-UHFFFAOYSA-N 1 1 270.298 3.687 20 30 CHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000264570960 328160356 /nfs/dbraw/zinc/16/03/56/328160356.db2.gz RPMHTVAZLBIIBJ-GOSISDBHSA-N 1 1 292.382 3.578 20 30 CHEDMO N#CCCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268397266 328184895 /nfs/dbraw/zinc/18/48/95/328184895.db2.gz STXCCPBXJDHEFM-HOTGVXAUSA-N 1 1 290.407 3.642 20 30 CHEDMO CC[N@@H+](Cc1ccncc1)Cc1ccccc1C(C)(C)C#N ZINC000270984535 328194408 /nfs/dbraw/zinc/19/44/08/328194408.db2.gz GXHCHLZYMFMHMN-UHFFFAOYSA-N 1 1 293.414 3.905 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000276355283 328217943 /nfs/dbraw/zinc/21/79/43/328217943.db2.gz XHLSLKVDJYIOKX-NSHDSACASA-N 1 1 286.297 3.709 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000276876257 328219545 /nfs/dbraw/zinc/21/95/45/328219545.db2.gz YXPUNALNHCHQEC-UHFFFAOYSA-N 1 1 262.784 3.638 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000278120007 328223658 /nfs/dbraw/zinc/22/36/58/328223658.db2.gz LNBDLEGTPVWBCG-UHFFFAOYSA-N 1 1 288.391 3.567 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000278553768 328227199 /nfs/dbraw/zinc/22/71/99/328227199.db2.gz HQTFVJXEOVYAGA-JQHSSLGASA-N 1 1 268.404 3.732 20 30 CHEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000278843609 328231027 /nfs/dbraw/zinc/23/10/27/328231027.db2.gz ZYYVREFIHSBXND-UHFFFAOYSA-N 1 1 254.786 3.527 20 30 CHEDMO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000366659099 328252904 /nfs/dbraw/zinc/25/29/04/328252904.db2.gz AHVHZNPZHAIFDU-QGZVFWFLSA-N 1 1 291.483 3.703 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000297054921 328293552 /nfs/dbraw/zinc/29/35/52/328293552.db2.gz IQBPQYPAIZBVNA-NWDGAFQWSA-N 1 1 284.325 3.944 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000297054921 328293554 /nfs/dbraw/zinc/29/35/54/328293554.db2.gz IQBPQYPAIZBVNA-NWDGAFQWSA-N 1 1 284.325 3.944 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1cccnc1 ZINC000340603317 328296518 /nfs/dbraw/zinc/29/65/18/328296518.db2.gz JJFQMCZNBIREGG-OAHLLOKOSA-N 1 1 252.361 3.831 20 30 CHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC000050198631 328391563 /nfs/dbraw/zinc/39/15/63/328391563.db2.gz VDLXHLHAGWGORG-UHFFFAOYSA-N 1 1 289.325 3.819 20 30 CHEDMO C=C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000530631922 326883212 /nfs/dbraw/zinc/88/32/12/326883212.db2.gz TUFQPTVHKPSUHQ-UHFFFAOYSA-N 1 1 253.748 3.674 20 30 CHEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000539227139 326934490 /nfs/dbraw/zinc/93/44/90/326934490.db2.gz YVUNZAMVJMNZPV-HUUCEWRRSA-N 1 1 285.391 3.568 20 30 CHEDMO C[N@@H+](C/C=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC000255640958 327001698 /nfs/dbraw/zinc/00/16/98/327001698.db2.gz RKMJDMRQOCOUFU-YVMONPNESA-N 1 1 262.356 3.703 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000074991019 327122852 /nfs/dbraw/zinc/12/28/52/327122852.db2.gz ZZUNEUHJDLXDSL-ZBFHGGJFSA-N 1 1 274.433 3.511 20 30 CHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCCC#N ZINC000076810351 327131066 /nfs/dbraw/zinc/13/10/66/327131066.db2.gz ZVLBKAUWHKDUNS-DZGCQCFKSA-N 1 1 260.356 3.697 20 30 CHEDMO C=CCCCCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000559001229 327137489 /nfs/dbraw/zinc/13/74/89/327137489.db2.gz DRTGFIUJYMOOGZ-INIZCTEOSA-N 1 1 261.409 3.616 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2cnn(C)c2)s1 ZINC000559061409 327139585 /nfs/dbraw/zinc/13/95/85/327139585.db2.gz RCHRHJVISQMSMX-UHFFFAOYSA-N 1 1 275.421 3.547 20 30 CHEDMO N#CCCOCC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000559110438 327141796 /nfs/dbraw/zinc/14/17/96/327141796.db2.gz MQMIEJZRMAQYLV-JZHDPFOFSA-N 1 1 298.430 3.875 20 30 CHEDMO N#CCCOCC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000559110440 327141823 /nfs/dbraw/zinc/14/18/23/327141823.db2.gz MQMIEJZRMAQYLV-YAINUAMHSA-N 1 1 298.430 3.875 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC000559254740 327151065 /nfs/dbraw/zinc/15/10/65/327151065.db2.gz QJRWTTKIYCKADS-DJIMGWMZSA-N 1 1 254.377 3.558 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569609039 327209751 /nfs/dbraw/zinc/20/97/51/327209751.db2.gz RYLVKRCSSIQBHU-INWMFGNUSA-N 1 1 299.374 3.619 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@@H]21 ZINC000559426038 327244989 /nfs/dbraw/zinc/24/49/89/327244989.db2.gz YPRCDUFEFSEPKE-JKSUJKDBSA-N 1 1 272.367 3.708 20 30 CHEDMO C=CCCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531101530 327246543 /nfs/dbraw/zinc/24/65/43/327246543.db2.gz OZEQNROAZMQHIX-SFHVURJKSA-N 1 1 272.436 3.549 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(O)c1 ZINC000119941811 327295866 /nfs/dbraw/zinc/29/58/66/327295866.db2.gz XJPOIBGHOVXZJH-UHFFFAOYSA-N 1 1 259.374 3.642 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(O)c1 ZINC000119941811 327295868 /nfs/dbraw/zinc/29/58/68/327295868.db2.gz XJPOIBGHOVXZJH-UHFFFAOYSA-N 1 1 259.374 3.642 20 30 CHEDMO N#CCC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000336378912 327580751 /nfs/dbraw/zinc/58/07/51/327580751.db2.gz DYUOVUGIOSMZFJ-UHFFFAOYSA-N 1 1 266.747 3.605 20 30 CHEDMO CCCCCCCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426650 329014873 /nfs/dbraw/zinc/01/48/73/329014873.db2.gz OOZKPQGRZHVMHU-IRXDYDNUSA-N 1 1 294.483 3.870 20 30 CHEDMO C#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000377551654 329018660 /nfs/dbraw/zinc/01/86/60/329018660.db2.gz ZEYXGAUFTQIZAJ-OAQYLSRUSA-N 1 1 298.389 3.942 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000377884589 329033294 /nfs/dbraw/zinc/03/32/94/329033294.db2.gz OXUFLQMEROPGPO-YOEHRIQHSA-N 1 1 284.403 3.599 20 30 CHEDMO N#CCCCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378400279 329048852 /nfs/dbraw/zinc/04/88/52/329048852.db2.gz VWCRWDGJEQAQTP-UHFFFAOYSA-N 1 1 275.783 3.518 20 30 CHEDMO N#CCCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378642576 329057687 /nfs/dbraw/zinc/05/76/87/329057687.db2.gz GOVYZUSRGBJGDT-CYBMUJFWSA-N 1 1 282.309 3.798 20 30 CHEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000393537313 329087199 /nfs/dbraw/zinc/08/71/99/329087199.db2.gz AZTIBFSVSHUDAT-CVEARBPZSA-N 1 1 284.403 3.577 20 30 CHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC000174339827 329157615 /nfs/dbraw/zinc/15/76/15/329157615.db2.gz WSXKAMIKVNGROF-JKSUJKDBSA-N 1 1 292.423 3.803 20 30 CHEDMO CSc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000174694203 329160772 /nfs/dbraw/zinc/16/07/72/329160772.db2.gz VGVNXTXBYHECKH-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO CSc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000174694203 329160774 /nfs/dbraw/zinc/16/07/74/329160774.db2.gz VGVNXTXBYHECKH-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO C=CC[NH+]1CCC(N[C@H](CC)c2ccc(F)cc2F)CC1 ZINC000177909435 329189905 /nfs/dbraw/zinc/18/99/05/329189905.db2.gz BSFVPXFHGAVHLI-QGZVFWFLSA-N 1 1 294.389 3.656 20 30 CHEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000181324296 329231602 /nfs/dbraw/zinc/23/16/02/329231602.db2.gz KJOUTKSMYSABNH-UHFFFAOYSA-N 1 1 278.302 3.628 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000181324296 329231604 /nfs/dbraw/zinc/23/16/04/329231604.db2.gz KJOUTKSMYSABNH-UHFFFAOYSA-N 1 1 278.302 3.628 20 30 CHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181146161 329232788 /nfs/dbraw/zinc/23/27/88/329232788.db2.gz HJODQBNBRIQRKY-PHIMTYICSA-N 1 1 293.208 3.694 20 30 CHEDMO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000183492056 329248134 /nfs/dbraw/zinc/24/81/34/329248134.db2.gz JIRGSKDMETYQNK-IRXDYDNUSA-N 1 1 281.403 3.536 20 30 CHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000183492056 329248135 /nfs/dbraw/zinc/24/81/35/329248135.db2.gz JIRGSKDMETYQNK-IRXDYDNUSA-N 1 1 281.403 3.536 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1Cl ZINC000184095233 329256221 /nfs/dbraw/zinc/25/62/21/329256221.db2.gz YTIQXCRMLKCTHV-ZDUSSCGKSA-N 1 1 278.783 3.687 20 30 CHEDMO CCCC[N@@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000583095075 329315412 /nfs/dbraw/zinc/31/54/12/329315412.db2.gz VZDREFHJVNZBBF-UHFFFAOYSA-N 1 1 281.350 3.640 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1CC(C)C ZINC000396883393 329318346 /nfs/dbraw/zinc/31/83/46/329318346.db2.gz TVVRGOWCBOAMFI-INIZCTEOSA-N 1 1 272.392 3.577 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000187158742 329354112 /nfs/dbraw/zinc/35/41/12/329354112.db2.gz MNGYLFQIHYEQEM-UHFFFAOYSA-N 1 1 260.768 3.588 20 30 CHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000187158742 329354113 /nfs/dbraw/zinc/35/41/13/329354113.db2.gz MNGYLFQIHYEQEM-UHFFFAOYSA-N 1 1 260.768 3.588 20 30 CHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000187579572 329359290 /nfs/dbraw/zinc/35/92/90/329359290.db2.gz IQVATVMLNIIFRD-MAUKXSAKSA-N 1 1 286.419 3.990 20 30 CHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000229957318 329359429 /nfs/dbraw/zinc/35/94/29/329359429.db2.gz OTXCZYCZMFKEEX-WBMJQRKESA-N 1 1 260.356 3.708 20 30 CHEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000233872014 329410783 /nfs/dbraw/zinc/41/07/83/329410783.db2.gz YPCMRYGQDLSVRV-IINYFYTJSA-N 1 1 293.208 3.718 20 30 CHEDMO C=C1CC[NH+](Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000264511044 330061804 /nfs/dbraw/zinc/06/18/04/330061804.db2.gz XQOZSJXMFCHCME-UHFFFAOYSA-N 1 1 268.360 3.802 20 30 CHEDMO C#CCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000270462760 330075303 /nfs/dbraw/zinc/07/53/03/330075303.db2.gz AMDZSXPAJUAFRN-GFCCVEGCSA-N 1 1 250.411 3.591 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C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000404566373 333014930 /nfs/dbraw/zinc/01/49/30/333014930.db2.gz BXFYXIILMNPWGS-JTQLQIEISA-N 1 1 290.288 3.826 20 30 CHEDMO C=CC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521220918 333115422 /nfs/dbraw/zinc/11/54/22/333115422.db2.gz WFLILHUWMNPLHZ-GFCCVEGCSA-N 1 1 287.325 3.901 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000521267063 333116803 /nfs/dbraw/zinc/11/68/03/333116803.db2.gz LEKOLIFXKLSDPR-UHFFFAOYSA-N 1 1 297.377 3.893 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nc2ccc(OC)cc2s1 ZINC000186562459 333162682 /nfs/dbraw/zinc/16/26/82/333162682.db2.gz PTSCHWUKZBSIFH-UHFFFAOYSA-N 1 1 276.405 3.703 20 30 CHEDMO C=CCCC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189949304 333200979 /nfs/dbraw/zinc/20/09/79/333200979.db2.gz SKJPTEPPOXYESW-IAGOWNOFSA-N 1 1 286.463 3.699 20 30 CHEDMO C=CCCCCC[N@H+](C)CCc1ncc(C)s1 ZINC000193449340 333250090 /nfs/dbraw/zinc/25/00/90/333250090.db2.gz MUGAHSDVFIXYAN-UHFFFAOYSA-N 1 1 252.427 3.672 20 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3.758 20 30 CHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000523551930 333332898 /nfs/dbraw/zinc/33/28/98/333332898.db2.gz JEOIVWJURHRAFB-UHFFFAOYSA-N 1 1 288.435 3.920 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCC(F)(F)F ZINC000234271735 333359366 /nfs/dbraw/zinc/35/93/66/333359366.db2.gz RQRWGBHLXBUPKH-UHFFFAOYSA-N 1 1 250.308 3.591 20 30 CHEDMO COc1ccc(C[N@H+]2CCCc3ccccc3C2)cc1C#N ZINC000316322905 333388129 /nfs/dbraw/zinc/38/81/29/333388129.db2.gz FWIXZWAUNMGCDG-UHFFFAOYSA-N 1 1 292.382 3.515 20 30 CHEDMO C=CC[N@H+](CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000524893367 333391338 /nfs/dbraw/zinc/39/13/38/333391338.db2.gz PDJFYKLEXVNYNZ-HUUCEWRRSA-N 1 1 251.414 3.622 20 30 CHEDMO C=CCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000524991061 333394920 /nfs/dbraw/zinc/39/49/20/333394920.db2.gz SCJNIDROSYNSLQ-UHFFFAOYSA-N 1 1 294.236 3.989 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)o1 ZINC000174280540 335151839 /nfs/dbraw/zinc/15/18/39/335151839.db2.gz UHPSHLVPVRAVRC-UHFFFAOYSA-N 1 1 296.370 3.762 20 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CHEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000081599644 334198902 /nfs/dbraw/zinc/19/89/02/334198902.db2.gz DOFWBSTZQGXCSB-LBPRGKRZSA-N 1 1 288.391 3.822 20 30 CHEDMO C=CCOCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000550105715 334213304 /nfs/dbraw/zinc/21/33/04/334213304.db2.gz TWPRUPZLVPVDAU-OAHLLOKOSA-N 1 1 297.851 3.709 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1cccc(F)c1 ZINC000245730650 334215639 /nfs/dbraw/zinc/21/56/39/334215639.db2.gz JRDYRVOXJHULIY-SJKOYZFVSA-N 1 1 284.334 3.873 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000551707437 334258676 /nfs/dbraw/zinc/25/86/76/334258676.db2.gz IEQAMHDSBWDZTE-UHFFFAOYSA-N 1 1 261.796 3.956 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000246784787 334269499 /nfs/dbraw/zinc/26/94/99/334269499.db2.gz IOPVIPMOVSCPGG-KGLIPLIRSA-N 1 1 256.393 3.718 20 30 CHEDMO C[C@H](CCc1cccc(F)c1)[N@@H+](C)CC(C)(C)C#N ZINC000552084886 334287155 /nfs/dbraw/zinc/28/71/55/334287155.db2.gz DAAKGIKPOPPBRQ-CYBMUJFWSA-N 1 1 262.372 3.628 20 30 CHEDMO C=CCC[C@H](NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000552224213 334305279 /nfs/dbraw/zinc/30/52/79/334305279.db2.gz OBZBRNVVIPIJBG-BBWFWOEESA-N 1 1 290.451 3.997 20 30 CHEDMO C=CCC[C@H](NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000552224213 334305280 /nfs/dbraw/zinc/30/52/80/334305280.db2.gz OBZBRNVVIPIJBG-BBWFWOEESA-N 1 1 290.451 3.997 20 30 CHEDMO C=CCC[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000552254626 334309249 /nfs/dbraw/zinc/30/92/49/334309249.db2.gz NYOLELHYHALUAQ-HZPDHXFCSA-N 1 1 276.424 3.608 20 30 CHEDMO C=CCC[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000552254626 334309251 /nfs/dbraw/zinc/30/92/51/334309251.db2.gz NYOLELHYHALUAQ-HZPDHXFCSA-N 1 1 276.424 3.608 20 30 CHEDMO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000552316882 334316231 /nfs/dbraw/zinc/31/62/31/334316231.db2.gz QMHVDHGIYKDNSK-NSHDSACASA-N 1 1 295.224 3.992 20 30 CHEDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000552316882 334316233 /nfs/dbraw/zinc/31/62/33/334316233.db2.gz QMHVDHGIYKDNSK-NSHDSACASA-N 1 1 295.224 3.992 20 30 CHEDMO C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)CC(C)(C)C#N ZINC000552316548 334316309 /nfs/dbraw/zinc/31/63/09/334316309.db2.gz DRWIERKYWQQSSB-UHFFFAOYSA-N 1 1 286.419 3.772 20 30 CHEDMO C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)CC(C)(C)C#N ZINC000552316548 334316311 /nfs/dbraw/zinc/31/63/11/334316311.db2.gz DRWIERKYWQQSSB-UHFFFAOYSA-N 1 1 286.419 3.772 20 30 CHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000248837553 334319265 /nfs/dbraw/zinc/31/92/65/334319265.db2.gz KIEYVKMXJHUTAL-FZKQIMNGSA-N 1 1 280.346 3.890 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000248837553 334319266 /nfs/dbraw/zinc/31/92/66/334319266.db2.gz KIEYVKMXJHUTAL-FZKQIMNGSA-N 1 1 280.346 3.890 20 30 CHEDMO CC[N@@H+](CC[C@@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000248953094 334322978 /nfs/dbraw/zinc/32/29/78/334322978.db2.gz FLBRQBCKFRFRKH-PBHICJAKSA-N 1 1 272.392 3.510 20 30 CHEDMO CC[N@H+](C[C@H](C)c1cccc(Cl)c1)C[C@H](C)C#N ZINC000249175984 334329490 /nfs/dbraw/zinc/32/94/90/334329490.db2.gz FDGFKKRRSDUNJC-OLZOCXBDSA-N 1 1 264.800 3.925 20 30 CHEDMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249775430 334340393 /nfs/dbraw/zinc/34/03/93/334340393.db2.gz KGLCGJMICRGHQZ-OIISXLGYSA-N 1 1 256.393 3.731 20 30 CHEDMO C=CC[N@H+](CCOc1ccc(F)cc1Cl)C1CC1 ZINC000552835370 334347186 /nfs/dbraw/zinc/34/71/86/334347186.db2.gz KGPWNSYGXUBVSS-UHFFFAOYSA-N 1 1 269.747 3.508 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000576933122 335265414 /nfs/dbraw/zinc/26/54/14/335265414.db2.gz IHXRGOMIFGSBAW-HNNXBMFYSA-N 1 1 291.398 3.754 20 30 CHEDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000576933123 335265505 /nfs/dbraw/zinc/26/55/05/335265505.db2.gz IHXRGOMIFGSBAW-OAHLLOKOSA-N 1 1 291.398 3.754 20 30 CHEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000176443469 335279927 /nfs/dbraw/zinc/27/99/27/335279927.db2.gz CEQUFPRDYRRAHA-ZDUSSCGKSA-N 1 1 270.401 3.683 20 30 CHEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(C#N)ccc1C(F)(F)F ZINC000577115214 335302583 /nfs/dbraw/zinc/30/25/83/335302583.db2.gz LTKCDGYRXXCMQF-NSHDSACASA-N 1 1 299.340 3.718 20 30 CHEDMO C=CCOCC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000577234301 335328056 /nfs/dbraw/zinc/32/80/56/335328056.db2.gz OQXAIAKNQUGACZ-KRWDZBQOSA-N 1 1 279.399 3.527 20 30 CHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577506486 335361446 /nfs/dbraw/zinc/36/14/46/335361446.db2.gz XROZJLRTOQMXDP-UKRRQHHQSA-N 1 1 271.408 3.600 20 30 CHEDMO Cc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)s1 ZINC000352849578 335747023 /nfs/dbraw/zinc/74/70/23/335747023.db2.gz WWGSVGGIEXQITF-VIFPVBQESA-N 1 1 277.418 3.544 20 30 CHEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000183839136 335909528 /nfs/dbraw/zinc/90/95/28/335909528.db2.gz PGINXCPTUCAWQH-AWEZNQCLSA-N 1 1 298.361 3.654 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000381086514 336049244 /nfs/dbraw/zinc/04/92/44/336049244.db2.gz CEXARNOCQQHPIU-CVEARBPZSA-N 1 1 254.377 3.569 20 30 CHEDMO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000383384066 336108309 /nfs/dbraw/zinc/10/83/09/336108309.db2.gz HDLSAUGYJXXGSE-QWRGUYRKSA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000383384066 336108311 /nfs/dbraw/zinc/10/83/11/336108311.db2.gz HDLSAUGYJXXGSE-QWRGUYRKSA-N 1 1 293.208 3.551 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000385533106 336150649 /nfs/dbraw/zinc/15/06/49/336150649.db2.gz KAFQIYZMCHKHBN-SNVBAGLBSA-N 1 1 262.319 3.589 20 30 CHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCSCC#N ZINC000354827162 534060423 /nfs/dbraw/zinc/06/04/23/534060423.db2.gz GNLNBFZSUDDDFZ-OLZOCXBDSA-N 1 1 292.423 3.780 20 30 CHEDMO CC(C)COC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000101596951 519755492 /nfs/dbraw/zinc/75/54/92/519755492.db2.gz OGYGMBDHMVXUIK-QGZVFWFLSA-N 1 1 298.386 3.655 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccnc1 ZINC000290535980 521323607 /nfs/dbraw/zinc/32/36/07/521323607.db2.gz QZBRHQNVCWHBBO-AWEZNQCLSA-N 1 1 295.386 3.545 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000080933236 521338476 /nfs/dbraw/zinc/33/84/76/521338476.db2.gz OKERUXAQKOFNAD-AWEZNQCLSA-N 1 1 280.371 3.847 20 30 CHEDMO CC[N@@H+](Cc1ccnc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000339864228 521413729 /nfs/dbraw/zinc/41/37/29/521413729.db2.gz ARCPZCPXNCVJKV-CQSZACIVSA-N 1 1 295.386 3.545 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 ZINC000276431804 521682427 /nfs/dbraw/zinc/68/24/27/521682427.db2.gz YXBUOJFSWYGWHF-UHFFFAOYSA-N 1 1 283.350 3.505 20 30 CHEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1ccccc1F ZINC000292140005 522035633 /nfs/dbraw/zinc/03/56/33/522035633.db2.gz MHXSVEVXWXLMSD-UHFFFAOYSA-N 1 1 298.361 3.731 20 30 CHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000277375028 522054560 /nfs/dbraw/zinc/05/45/60/522054560.db2.gz XHMNEFLTSXKOMR-RWMBFGLXSA-N 1 1 297.406 3.602 20 30 CHEDMO CC[C@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C#N)cc1 ZINC000278765400 522746079 /nfs/dbraw/zinc/74/60/79/522746079.db2.gz OXTPDCJHUWTHEL-DOMZBBRYSA-N 1 1 297.406 3.602 20 30 CHEDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1C#N ZINC000130080212 522965007 /nfs/dbraw/zinc/96/50/07/522965007.db2.gz ROPQHDBMZIQORY-QGZVFWFLSA-N 1 1 265.360 3.536 20 30 CHEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1C#N ZINC000130080212 522965012 /nfs/dbraw/zinc/96/50/12/522965012.db2.gz ROPQHDBMZIQORY-QGZVFWFLSA-N 1 1 265.360 3.536 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccsc1 ZINC000359107651 526068004 /nfs/dbraw/zinc/06/80/04/526068004.db2.gz PDRVRHDKCWGCKZ-LBPRGKRZSA-N 1 1 256.374 3.813 20 30 CHEDMO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000042316505 526144322 /nfs/dbraw/zinc/14/43/22/526144322.db2.gz QFEMNSVTPGUIFL-NSHDSACASA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000042316505 526144332 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TVHMDSGZDNAYGO-CQSZACIVSA-N 1 1 260.356 3.852 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)cc1 ZINC000111250617 1123436359 /nfs/dbraw/zinc/43/63/59/1123436359.db2.gz ILEFSQZEIICQBJ-HNNXBMFYSA-N 1 1 294.826 3.635 20 30 CHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)cc1 ZINC000111250617 1123436362 /nfs/dbraw/zinc/43/63/62/1123436362.db2.gz ILEFSQZEIICQBJ-HNNXBMFYSA-N 1 1 294.826 3.635 20 30 CHEDMO C[C@@H](CCC#N)C[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000895603939 1123495315 /nfs/dbraw/zinc/49/53/15/1123495315.db2.gz DEURYGFOXGJJKQ-JTQLQIEISA-N 1 1 288.288 3.586 20 30 CHEDMO N#CCCOCC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000339024128 1123768742 /nfs/dbraw/zinc/76/87/42/1123768742.db2.gz NQEJAUOADZINPE-QGZVFWFLSA-N 1 1 278.440 3.742 20 30 CHEDMO C#CC[C@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000862446799 1123811672 /nfs/dbraw/zinc/81/16/72/1123811672.db2.gz FDSSRJJOSJQBAS-JTQLQIEISA-N 1 1 273.323 3.612 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000509657608 1124501066 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CCCCCCC[C@@H](CC)N1CC[NH2+][C@H](C)CC1 ZINC001246590823 1131707252 /nfs/dbraw/zinc/70/72/52/1131707252.db2.gz ALOXZKBVIHSFLY-HZPDHXFCSA-N 1 1 254.462 3.809 20 30 CHEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC001146516682 1131791041 /nfs/dbraw/zinc/79/10/41/1131791041.db2.gz ICIKRHMFXRLYAK-SJORKVTESA-N 1 1 296.499 3.926 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(F)cc(OC)cc1F ZINC001140828681 1131939532 /nfs/dbraw/zinc/93/95/32/1131939532.db2.gz VLAHVZFUPAVOHF-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(F)cc(OC)cc1F ZINC001140828681 1131939541 /nfs/dbraw/zinc/93/95/41/1131939541.db2.gz VLAHVZFUPAVOHF-UHFFFAOYSA-N 1 1 269.335 3.762 20 30 CHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172321101 1132158272 /nfs/dbraw/zinc/15/82/72/1132158272.db2.gz YWBYCKIHUBGRBV-HUUCEWRRSA-N 1 1 256.393 3.611 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001172355373 1132184204 /nfs/dbraw/zinc/18/42/04/1132184204.db2.gz NYSSILPSSFDOQB-HRCADAONSA-N 1 1 255.446 3.971 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2cnn(C)c2C1 ZINC001172355009 1132184767 /nfs/dbraw/zinc/18/47/67/1132184767.db2.gz LPYRXCGRKXHNPW-HNNXBMFYSA-N 1 1 263.429 3.875 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2cnn(C)c2C1 ZINC001172355009 1132184771 /nfs/dbraw/zinc/18/47/71/1132184771.db2.gz LPYRXCGRKXHNPW-HNNXBMFYSA-N 1 1 263.429 3.875 20 30 CHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]12CCOC2 ZINC001172357077 1132185901 /nfs/dbraw/zinc/18/59/01/1132185901.db2.gz AZUIIMXFTVNWJN-CVEARBPZSA-N 1 1 253.430 3.990 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001172362288 1132189651 /nfs/dbraw/zinc/18/96/51/1132189651.db2.gz UHTDYYJKRPIPFZ-RDJZCZTQSA-N 1 1 282.472 3.678 20 30 CHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001172508269 1132256470 /nfs/dbraw/zinc/25/64/70/1132256470.db2.gz IERMNGGAWVWSAG-JKSUJKDBSA-N 1 1 282.472 3.713 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001172511031 1132258731 /nfs/dbraw/zinc/25/87/31/1132258731.db2.gz 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ZINC001209443470 1134022667 /nfs/dbraw/zinc/02/26/67/1134022667.db2.gz SNRYAYNRGIKLCQ-CVEARBPZSA-N 1 1 253.430 3.606 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001209442999 1134022817 /nfs/dbraw/zinc/02/28/17/1134022817.db2.gz KEJRJXBNVIVXES-SJORKVTESA-N 1 1 267.457 3.996 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000536629404 1125510246 /nfs/dbraw/zinc/51/02/46/1125510246.db2.gz DEJUDGPQABPKIU-LJQANCHMSA-N 1 1 294.398 3.984 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000536629488 1125511236 /nfs/dbraw/zinc/51/12/36/1125511236.db2.gz SEPLRZGRJVWPHT-OAHLLOKOSA-N 1 1 257.381 3.548 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cs1 ZINC000348310115 1125519651 /nfs/dbraw/zinc/51/96/51/1125519651.db2.gz AMNBANDMQBLKHW-GFCCVEGCSA-N 1 1 285.416 3.622 20 30 CHEDMO CCCO[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398930 1125522813 /nfs/dbraw/zinc/52/28/13/1125522813.db2.gz HBOZKAYRFZJDBY-YJBOKZPZSA-N 1 1 286.419 3.900 20 30 CHEDMO CCC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1O ZINC000119612870 1125535640 /nfs/dbraw/zinc/53/56/40/1125535640.db2.gz LLHLIHHSINMODO-UHFFFAOYSA-N 1 1 260.381 3.544 20 30 CHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000057620965 1125540382 /nfs/dbraw/zinc/54/03/82/1125540382.db2.gz BOHVHBFVPYFSLL-INIZCTEOSA-N 1 1 288.391 3.535 20 30 CHEDMO CC(C)C[N@@H+](CCCCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000121296174 1125558970 /nfs/dbraw/zinc/55/89/70/1125558970.db2.gz UOTMWVMPOQAMFF-QGZVFWFLSA-N 1 1 292.398 3.511 20 30 CHEDMO N#CC1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000195411822 1125561848 /nfs/dbraw/zinc/56/18/48/1125561848.db2.gz MMDMFVMWXZAOBW-UHFFFAOYSA-N 1 1 293.370 3.609 20 30 CHEDMO CCCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000536637880 1125568122 /nfs/dbraw/zinc/56/81/22/1125568122.db2.gz ZWEZMKXRXQGDSM-UHFFFAOYSA-N 1 1 294.398 3.979 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@H]1c1cccc(F)c1 ZINC000245407475 1125571378 /nfs/dbraw/zinc/57/13/78/1125571378.db2.gz BFTAASLRGNTWIB-CZUORRHYSA-N 1 1 292.423 3.855 20 30 CHEDMO C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000509679429 1125574669 /nfs/dbraw/zinc/57/46/69/1125574669.db2.gz HSWBVLFARCPUGV-RDJZCZTQSA-N 1 1 259.393 3.723 20 30 CHEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000509667586 1125574700 /nfs/dbraw/zinc/57/47/00/1125574700.db2.gz AMYQPQIDLUWHOB-CJNGLKHVSA-N 1 1 263.356 3.554 20 30 CHEDMO C[C@H]1C[N@@H+](CCCSCC#N)CC[C@H]1c1ccccc1 ZINC000245494798 1125575849 /nfs/dbraw/zinc/57/58/49/1125575849.db2.gz ODRWWMNADYIEKD-DOTOQJQBSA-N 1 1 288.460 3.759 20 30 CHEDMO COc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1C#N ZINC000533539386 1125612760 /nfs/dbraw/zinc/61/27/60/1125612760.db2.gz QTGXNCMAZJFCJO-UNEWFSDZSA-N 1 1 284.403 3.720 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885927989 1125626888 /nfs/dbraw/zinc/62/68/88/1125626888.db2.gz YXSGKRZSQIOVBV-QZTJIDSGSA-N 1 1 298.430 3.577 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000072692679 1125635095 /nfs/dbraw/zinc/63/50/95/1125635095.db2.gz NAHXOLMPDNCPCY-UHFFFAOYSA-N 1 1 289.379 3.747 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000072692679 1125635099 /nfs/dbraw/zinc/63/50/99/1125635099.db2.gz NAHXOLMPDNCPCY-UHFFFAOYSA-N 1 1 289.379 3.747 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886251458 1125664611 /nfs/dbraw/zinc/66/46/11/1125664611.db2.gz CTOUJWKXJUQKFF-XWIAVFTESA-N 1 1 284.403 3.509 20 30 CHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000886355482 1125672390 /nfs/dbraw/zinc/67/23/90/1125672390.db2.gz JEVHEOCQGBLRSL-CYBMUJFWSA-N 1 1 274.433 3.646 20 30 CHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000886355483 1125673052 /nfs/dbraw/zinc/67/30/52/1125673052.db2.gz JEVHEOCQGBLRSL-ZDUSSCGKSA-N 1 1 274.433 3.646 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C=CCCC1 ZINC000110935069 1125682428 /nfs/dbraw/zinc/68/24/28/1125682428.db2.gz ZLPIYVICQHGMPD-FUHWJXTLSA-N 1 1 251.373 3.718 20 30 CHEDMO C#CC[N@@H+](Cc1scnc1C)[C@H]1CCc2ccccc21 ZINC000179204535 1125695494 /nfs/dbraw/zinc/69/54/94/1125695494.db2.gz UPKJBXDRMBPOPE-INIZCTEOSA-N 1 1 282.412 3.574 20 30 CHEDMO C#CC[N@H+](Cc1scnc1C)[C@H]1CCc2ccccc21 ZINC000179204535 1125695500 /nfs/dbraw/zinc/69/55/00/1125695500.db2.gz UPKJBXDRMBPOPE-INIZCTEOSA-N 1 1 282.412 3.574 20 30 CHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000886692211 1125708668 /nfs/dbraw/zinc/70/86/68/1125708668.db2.gz UKPBYFFTVVTTFS-AWEZNQCLSA-N 1 1 291.464 3.646 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(F)c1F ZINC000121910474 1125719853 /nfs/dbraw/zinc/71/98/53/1125719853.db2.gz IPMOOHUCSHDOBM-VIFPVBQESA-N 1 1 278.327 3.749 20 30 CHEDMO C=CCCC[N@H+](C)Cc1conc1Cc1ccccc1 ZINC000508676316 1125728469 /nfs/dbraw/zinc/72/84/69/1125728469.db2.gz CUUYJMVOTQSGAZ-UHFFFAOYSA-N 1 1 270.376 3.663 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000192058806 1125741916 /nfs/dbraw/zinc/74/19/16/1125741916.db2.gz GAFAKLZWORARMG-ZDUSSCGKSA-N 1 1 298.361 3.986 20 30 CHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000611561497 1125753537 /nfs/dbraw/zinc/75/35/37/1125753537.db2.gz RUEHTYSOQLFBDW-MWLCHTKSSA-N 1 1 288.338 3.783 20 30 CHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)cs1 ZINC000611561497 1125753540 /nfs/dbraw/zinc/75/35/40/1125753540.db2.gz RUEHTYSOQLFBDW-MWLCHTKSSA-N 1 1 288.338 3.783 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000093383844 1125768001 /nfs/dbraw/zinc/76/80/01/1125768001.db2.gz PTUNLBIWQTZNQE-UHFFFAOYSA-N 1 1 260.356 3.514 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1NC(C)=O ZINC000093498064 1125769102 /nfs/dbraw/zinc/76/91/02/1125769102.db2.gz BCAXTFBSONWDFN-UHFFFAOYSA-N 1 1 274.408 3.823 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093594018 1125771006 /nfs/dbraw/zinc/77/10/06/1125771006.db2.gz FEUXGCJUZKBOSN-HNNXBMFYSA-N 1 1 286.419 3.814 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000093561714 1125771737 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C#CCCC[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000766900933 1129767418 /nfs/dbraw/zinc/76/74/18/1129767418.db2.gz OVYMRGJIPIKZFW-INIZCTEOSA-N 1 1 257.377 3.636 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000766894973 1129768921 /nfs/dbraw/zinc/76/89/21/1129768921.db2.gz HRXICURVSHWPMJ-HNNXBMFYSA-N 1 1 292.220 3.999 20 30 CHEDMO C=CC[C@H]1[N@H+](CCC[C@H]2CCOC2)CCCC1(C)C ZINC001169843636 1129759757 /nfs/dbraw/zinc/75/97/57/1129759757.db2.gz GJRXQXSWOPHDEL-JKSUJKDBSA-N 1 1 265.441 3.870 20 30 CHEDMO C#CCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767886632 1129818452 /nfs/dbraw/zinc/81/84/52/1129818452.db2.gz YSLHOZJCZBHWHW-ZDUSSCGKSA-N 1 1 267.294 3.518 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000796610609 1129818621 /nfs/dbraw/zinc/81/86/21/1129818621.db2.gz ZMPDYVUHHKCGLZ-CQSZACIVSA-N 1 1 253.748 3.542 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1 ZINC000276237889 1129844109 /nfs/dbraw/zinc/84/41/09/1129844109.db2.gz ORSLVXDXEUBSGI-VHSXEESVSA-N 1 1 256.271 3.658 20 30 CHEDMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000903100690 1130112335 /nfs/dbraw/zinc/11/23/35/1130112335.db2.gz VQKNGHMMWBXZED-NSHDSACASA-N 1 1 282.334 3.797 20 30 CHEDMO CC(C)C[N@@H+](C/C=C\Cl)Cc1ccc(C#N)cc1 ZINC000746660487 1130136313 /nfs/dbraw/zinc/13/63/13/1130136313.db2.gz WSMYASIOUPGBIB-BAQGIRSFSA-N 1 1 262.784 3.769 20 30 CHEDMO CC1(C#N)CCC(Nc2cccc(C3CC3)[nH+]2)CC1 ZINC000903268585 1130142029 /nfs/dbraw/zinc/14/20/29/1130142029.db2.gz LCVUQZVVYPLYCC-UHFFFAOYSA-N 1 1 255.365 3.843 20 30 CHEDMO CSc1ncc(C)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001238721706 1131237402 /nfs/dbraw/zinc/23/74/02/1131237402.db2.gz VTVPRMFRZJKPPC-UHFFFAOYSA-N 1 1 297.427 3.616 20 30 CHEDMO CSc1ncc(C)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001238721706 1131237406 /nfs/dbraw/zinc/23/74/06/1131237406.db2.gz VTVPRMFRZJKPPC-UHFFFAOYSA-N 1 1 297.427 3.616 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccncc1F ZINC000338019038 1126711704 /nfs/dbraw/zinc/71/17/04/1126711704.db2.gz PEZZXEZCMKJBAE-QWRGUYRKSA-N 1 1 287.313 3.643 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000826877127 1130304605 /nfs/dbraw/zinc/30/46/05/1130304605.db2.gz AAUPAGIYKUNZSG-IRXDYDNUSA-N 1 1 296.499 3.831 20 30 CHEDMO COc1cc(C)[nH+]cc1-c1ccc(Cl)c(C#N)c1 ZINC001240403050 1126740139 /nfs/dbraw/zinc/74/01/39/1126740139.db2.gz DAVKTTISOHXMHE-UHFFFAOYSA-N 1 1 258.708 3.591 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000826947660 1130317461 /nfs/dbraw/zinc/31/74/61/1130317461.db2.gz RMNVVORKYNKATO-NSHDSACASA-N 1 1 268.763 3.662 20 30 CHEDMO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000174078161 1126766082 /nfs/dbraw/zinc/76/60/82/1126766082.db2.gz OVYLMTKEEQWOHY-NWDGAFQWSA-N 1 1 285.416 3.989 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000174816297 1126773372 /nfs/dbraw/zinc/77/33/72/1126773372.db2.gz JYOCOWWOWALZFB-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000174816297 1126773374 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CCCCCCC[N@@H+](CC)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235662358 1130762373 /nfs/dbraw/zinc/76/23/73/1130762373.db2.gz SCKYMBDSCKNDHP-HUUCEWRRSA-N 1 1 290.442 3.770 20 30 CHEDMO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226899 1126950099 /nfs/dbraw/zinc/95/00/99/1126950099.db2.gz HHSVKXWHYMCFTB-GFCCVEGCSA-N 1 1 287.794 3.743 20 30 CHEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226899 1126950102 /nfs/dbraw/zinc/95/01/02/1126950102.db2.gz HHSVKXWHYMCFTB-GFCCVEGCSA-N 1 1 287.794 3.743 20 30 CHEDMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000191369496 1126951140 /nfs/dbraw/zinc/95/11/40/1126951140.db2.gz DLRDYKYKZDHMNJ-MRXNPFEDSA-N 1 1 283.375 3.525 20 30 CHEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000485868762 1126957929 /nfs/dbraw/zinc/95/79/29/1126957929.db2.gz KACPTDZDNJTMEK-LBPRGKRZSA-N 1 1 294.345 3.924 20 30 CHEDMO C=CCCCCCCC[N@@H+](CCCOC)C1CCNCC1 ZINC001235937728 1130811072 /nfs/dbraw/zinc/81/10/72/1130811072.db2.gz PXBNTCXHLKMGDN-UHFFFAOYSA-N 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C#C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237083393 1131047804 /nfs/dbraw/zinc/04/78/04/1131047804.db2.gz CMIPVBMVRFEBEP-SNVBAGLBSA-N 1 1 284.186 3.544 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237083393 1131047808 /nfs/dbraw/zinc/04/78/08/1131047808.db2.gz CMIPVBMVRFEBEP-SNVBAGLBSA-N 1 1 284.186 3.544 20 30 CHEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000339130418 1127114531 /nfs/dbraw/zinc/11/45/31/1127114531.db2.gz VELKGJHEROERJC-INIZCTEOSA-N 1 1 292.810 3.797 20 30 CHEDMO Cc1ccccc1[C@@H](C)[N@H+](CCOCCC#N)CC(C)C ZINC000339173219 1127117942 /nfs/dbraw/zinc/11/79/42/1127117942.db2.gz XTSRNSQLWHCQBP-QGZVFWFLSA-N 1 1 288.435 3.944 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000348901941 1127133180 /nfs/dbraw/zinc/13/31/80/1127133180.db2.gz AWLLJHMDATWTGQ-LJQANCHMSA-N 1 1 294.398 3.984 20 30 CHEDMO Cc1ccsc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000349542472 1127153408 /nfs/dbraw/zinc/15/34/08/1127153408.db2.gz ADGOXPMNMRPUIC-UHFFFAOYSA-N 1 1 262.403 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/nfs/dbraw/zinc/21/52/24/1127215224.db2.gz HMLJFVQDBZXURQ-MRXNPFEDSA-N 1 1 297.402 3.915 20 30 CHEDMO C=C(C)CCc1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000285051193 1127215227 /nfs/dbraw/zinc/21/52/27/1127215227.db2.gz HMLJFVQDBZXURQ-MRXNPFEDSA-N 1 1 297.402 3.915 20 30 CHEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000589252612 1127216042 /nfs/dbraw/zinc/21/60/42/1127216042.db2.gz GZFZKXQKBCMGKR-UHFFFAOYSA-N 1 1 297.402 3.821 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589509719 1127222413 /nfs/dbraw/zinc/22/24/13/1127222413.db2.gz XQHQDBXXPZMRRQ-UHFFFAOYSA-N 1 1 268.282 3.585 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000572659473 1127223334 /nfs/dbraw/zinc/22/33/34/1127223334.db2.gz HNWDBLKZVRVILM-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001275113560 1127236745 /nfs/dbraw/zinc/23/67/45/1127236745.db2.gz FMCIZIVWVFJQDP-SFHVURJKSA-N 1 1 294.483 3.680 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001275119441 1127239037 /nfs/dbraw/zinc/23/90/37/1127239037.db2.gz SEKSHMGPAGOSEB-SFHVURJKSA-N 1 1 294.483 3.681 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000590049823 1127245209 /nfs/dbraw/zinc/24/52/09/1127245209.db2.gz KFEXPUFMHUEESJ-GOSISDBHSA-N 1 1 268.404 3.691 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000590049823 1127245212 /nfs/dbraw/zinc/24/52/12/1127245212.db2.gz KFEXPUFMHUEESJ-GOSISDBHSA-N 1 1 268.404 3.691 20 30 CHEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590156318 1127249968 /nfs/dbraw/zinc/24/99/68/1127249968.db2.gz DLPWVGRIRBGUMI-QXCFHYIPSA-N 1 1 298.430 3.778 20 30 CHEDMO CC(C)[C@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352942389 1127252581 /nfs/dbraw/zinc/25/25/81/1127252581.db2.gz NCHMUADCCDPHMS-HZPDHXFCSA-N 1 1 297.427 3.989 20 30 CHEDMO COc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)ccc1C#N ZINC000353223300 1127264621 /nfs/dbraw/zinc/26/46/21/1127264621.db2.gz SPVKZOGPNFXJHE-MLGOLLRUSA-N 1 1 296.370 3.573 20 30 CHEDMO N#CC1(CC[N@@H+]2CCc3ccc(O)cc3CC2)CCCCC1 ZINC000591017655 1127282302 /nfs/dbraw/zinc/28/23/02/1127282302.db2.gz XSXAMHXTWLRZBO-UHFFFAOYSA-N 1 1 298.430 3.657 20 30 CHEDMO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)c2ccccc2n1 ZINC000354009928 1127284978 /nfs/dbraw/zinc/28/49/78/1127284978.db2.gz LBMAUZFNEJQXIG-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO Cc1cc(C[N@H+](C)CC(C)(C)C#N)c2ccccc2n1 ZINC000354009928 1127284980 /nfs/dbraw/zinc/28/49/80/1127284980.db2.gz LBMAUZFNEJQXIG-UHFFFAOYSA-N 1 1 267.376 3.525 20 30 CHEDMO C[C@@H](C#N)C[N@H+](Cc1coc2ccccc12)C1CC1 ZINC000354033222 1127287298 /nfs/dbraw/zinc/28/72/98/1127287298.db2.gz JKAVBERZPKQOAD-LBPRGKRZSA-N 1 1 254.333 3.557 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](Cc1coc2ccccc12)C1CC1 ZINC000354033222 1127287301 /nfs/dbraw/zinc/28/73/01/1127287301.db2.gz JKAVBERZPKQOAD-LBPRGKRZSA-N 1 1 254.333 3.557 20 30 CHEDMO C#CCC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000760820424 1127294344 /nfs/dbraw/zinc/29/43/44/1127294344.db2.gz PQCKLORJGPWKPY-UHFFFAOYSA-N 1 1 280.209 3.683 20 30 CHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000355131570 1127319327 /nfs/dbraw/zinc/31/93/27/1127319327.db2.gz JAQYPOIVWLCERA-CHWSQXEVSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CCC[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646129930 1127319621 /nfs/dbraw/zinc/31/96/21/1127319621.db2.gz WRRILUYUSNKEQM-CYBMUJFWSA-N 1 1 264.438 3.679 20 30 CHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C1(CC)CC ZINC000355138079 1127320550 /nfs/dbraw/zinc/32/05/50/1127320550.db2.gz SBLHLKQFUMAROR-CVEARBPZSA-N 1 1 290.407 3.567 20 30 CHEDMO CC(C)(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC000592074329 1127335167 /nfs/dbraw/zinc/33/51/67/1127335167.db2.gz YYJWWGHEDOHSBB-QGZVFWFLSA-N 1 1 297.377 3.969 20 30 CHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC2CC2)cn1 ZINC000592145551 1127338700 /nfs/dbraw/zinc/33/87/00/1127338700.db2.gz VQMKSPPGIFFDEE-UHFFFAOYSA-N 1 1 291.398 3.674 20 30 CHEDMO CC[C@@H](OCC[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000593023645 1127365577 /nfs/dbraw/zinc/36/55/77/1127365577.db2.gz YKTDYTMSVMRYRJ-QZTJIDSGSA-N 1 1 286.419 3.780 20 30 CHEDMO CC[C@@H](OCC[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000593023645 1127365580 /nfs/dbraw/zinc/36/55/80/1127365580.db2.gz YKTDYTMSVMRYRJ-QZTJIDSGSA-N 1 1 286.419 3.780 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C2(CCC2)CO1 ZINC000593092943 1127373583 /nfs/dbraw/zinc/37/35/83/1127373583.db2.gz PTBNZYPDFDVVRE-HNNXBMFYSA-N 1 1 298.430 3.631 20 30 CHEDMO C#Cc1ccc(C[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000290214818 1127388035 /nfs/dbraw/zinc/38/80/35/1127388035.db2.gz FDARLCSEIMSRMK-GFCCVEGCSA-N 1 1 270.401 3.538 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000157798091 1127382437 /nfs/dbraw/zinc/38/24/37/1127382437.db2.gz DJBAZYXEPOWXKT-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CCCCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000157798091 1127382439 /nfs/dbraw/zinc/38/24/39/1127382439.db2.gz DJBAZYXEPOWXKT-MRXNPFEDSA-N 1 1 252.446 3.517 20 30 CHEDMO CC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)Cc1ccsc1 ZINC000356433181 1127383522 /nfs/dbraw/zinc/38/35/22/1127383522.db2.gz GQLWDJYDZCCUOA-NSHDSACASA-N 1 1 291.445 3.529 20 30 CHEDMO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)Cc1ccsc1 ZINC000356433181 1127383526 /nfs/dbraw/zinc/38/35/26/1127383526.db2.gz GQLWDJYDZCCUOA-NSHDSACASA-N 1 1 291.445 3.529 20 30 CHEDMO C=CCC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccco1 ZINC000289572086 1127384251 /nfs/dbraw/zinc/38/42/51/1127384251.db2.gz AZHLMGYYSNGPEE-CQSZACIVSA-N 1 1 285.391 3.538 20 30 CHEDMO N#CC1(C[NH2+]Cc2cc3ccccc3o2)CCCC1 ZINC000593649952 1127392222 /nfs/dbraw/zinc/39/22/22/1127392222.db2.gz NMWWLKHJBOAVLO-UHFFFAOYSA-N 1 1 254.333 3.606 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCC1 ZINC000593652722 1127392623 /nfs/dbraw/zinc/39/26/23/1127392623.db2.gz IDOZODKWLYBSFZ-UHFFFAOYSA-N 1 1 298.308 3.601 20 30 CHEDMO Cc1oc2ccccc2c1C[NH2+]CC1(C#N)CCCC1 ZINC000593652801 1127393215 /nfs/dbraw/zinc/39/32/15/1127393215.db2.gz NULDPAKODLXOEU-UHFFFAOYSA-N 1 1 268.360 3.915 20 30 CHEDMO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1Cl ZINC000593654616 1127393949 /nfs/dbraw/zinc/39/39/49/1127393949.db2.gz LAVGPUJVULECEL-UHFFFAOYSA-N 1 1 262.784 3.822 20 30 CHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)s2)CC12CC=CC2 ZINC000592525580 1127396626 /nfs/dbraw/zinc/39/66/26/1127396626.db2.gz ADEWGDKBIRFMIY-HNNXBMFYSA-N 1 1 272.417 3.796 20 30 CHEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)cs2)CC12CC=CC2 ZINC000592526019 1127396730 /nfs/dbraw/zinc/39/67/30/1127396730.db2.gz FKAMLZQGTJHNKL-OAHLLOKOSA-N 1 1 272.417 3.796 20 30 CHEDMO Cc1cc[nH+]c(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000593945034 1127400139 /nfs/dbraw/zinc/40/01/39/1127400139.db2.gz DZUSHAIHBUGCHF-UHFFFAOYSA-N 1 1 265.360 3.803 20 30 CHEDMO CC#CCCCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291109205 1127403809 /nfs/dbraw/zinc/40/38/09/1127403809.db2.gz BTKCLKAVXGFXJN-UHFFFAOYSA-N 1 1 295.386 3.621 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC000358275539 1127412309 /nfs/dbraw/zinc/41/23/09/1127412309.db2.gz GYQVVXMWEDORCK-HNNXBMFYSA-N 1 1 290.407 3.512 20 30 CHEDMO Cc1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000594495219 1127418226 /nfs/dbraw/zinc/41/82/26/1127418226.db2.gz NXCCISFLVRXTSL-UHFFFAOYSA-N 1 1 285.416 3.543 20 30 CHEDMO N#Cc1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1C(F)F ZINC000594546649 1127419518 /nfs/dbraw/zinc/41/95/18/1127419518.db2.gz XQPNTAUUGIAVRZ-RYUDHWBXSA-N 1 1 291.345 3.535 20 30 CHEDMO N#Cc1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1C(F)F ZINC000594546643 1127419522 /nfs/dbraw/zinc/41/95/22/1127419522.db2.gz XQPNTAUUGIAVRZ-NEPJUHHUSA-N 1 1 291.345 3.535 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)o1 ZINC000594613232 1127426344 /nfs/dbraw/zinc/42/63/44/1127426344.db2.gz AWXIPDPUPQUAKD-CQSZACIVSA-N 1 1 258.365 3.696 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000358631409 1127429582 /nfs/dbraw/zinc/42/95/82/1127429582.db2.gz AYOPSECVPNMIPZ-HNNXBMFYSA-N 1 1 275.392 3.807 20 30 CHEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000358631411 1127429691 /nfs/dbraw/zinc/42/96/91/1127429691.db2.gz AYOPSECVPNMIPZ-OAHLLOKOSA-N 1 1 275.392 3.807 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc2scnc2c1 ZINC001308726439 1127442213 /nfs/dbraw/zinc/44/22/13/1127442213.db2.gz HKBHBVHINFXEDK-ZDUSSCGKSA-N 1 1 258.390 3.837 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccc(Cl)s2)CCCCC1 ZINC000594995373 1127444496 /nfs/dbraw/zinc/44/44/96/1127444496.db2.gz PAJHOGXRVDEBDS-UHFFFAOYSA-N 1 1 268.813 3.965 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2cc(C3CC3)no2)C2CC2)cc1 ZINC000595296935 1127457127 /nfs/dbraw/zinc/45/71/27/1127457127.db2.gz ONHRRIZGBHGPLN-UHFFFAOYSA-N 1 1 293.370 3.588 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2cc(C3CC3)no2)C2CC2)cc1 ZINC000595296935 1127457128 /nfs/dbraw/zinc/45/71/28/1127457128.db2.gz ONHRRIZGBHGPLN-UHFFFAOYSA-N 1 1 293.370 3.588 20 30 CHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c(F)c1 ZINC000595101634 1127452611 /nfs/dbraw/zinc/45/26/11/1127452611.db2.gz YEMABBDEJQJYDA-ZDUSSCGKSA-N 1 1 290.382 3.959 20 30 CHEDMO CCC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccnc1 ZINC000595090144 1127454011 /nfs/dbraw/zinc/45/40/11/1127454011.db2.gz DFDIFVKYDSXHRA-MRXNPFEDSA-N 1 1 271.408 3.986 20 30 CHEDMO Cc1ccncc1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091640 1127454097 /nfs/dbraw/zinc/45/40/97/1127454097.db2.gz SJXAETWYDBRMKF-AWEZNQCLSA-N 1 1 257.381 3.515 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCCCC1 ZINC000595091597 1127454206 /nfs/dbraw/zinc/45/42/06/1127454206.db2.gz RXNSKAXEHORWML-KRWDZBQOSA-N 1 1 284.403 3.833 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCCc3cccnc32)CCCCC1 ZINC000595091668 1127454214 /nfs/dbraw/zinc/45/42/14/1127454214.db2.gz SZQRXQAZBSKISF-HNNXBMFYSA-N 1 1 269.392 3.523 20 30 CHEDMO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)n1 ZINC000595090610 1127454264 /nfs/dbraw/zinc/45/42/64/1127454264.db2.gz IXHHSSDWHLULHE-CQSZACIVSA-N 1 1 271.408 3.823 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(O)c1 ZINC000595092057 1127454577 /nfs/dbraw/zinc/45/45/77/1127454577.db2.gz VUASWHFVJPKXMF-ZDUSSCGKSA-N 1 1 258.365 3.517 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1N(C)C ZINC000595092000 1127454797 /nfs/dbraw/zinc/45/47/97/1127454797.db2.gz UJTNSRBKTYSYST-HNNXBMFYSA-N 1 1 285.435 3.877 20 30 CHEDMO CC[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cn1 ZINC000595091244 1127454859 /nfs/dbraw/zinc/45/48/59/1127454859.db2.gz ONYHOPBPOQJZLC-AWEZNQCLSA-N 1 1 275.371 3.735 20 30 CHEDMO COc1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1C#N ZINC000359292444 1127456621 /nfs/dbraw/zinc/45/66/21/1127456621.db2.gz DXVNISYXHWFNKN-KDOFPFPSSA-N 1 1 284.403 3.579 20 30 CHEDMO CCC[N@H+](Cc1nc(C)oc1C)Cc1ccc(C#N)cc1 ZINC000595291964 1127457600 /nfs/dbraw/zinc/45/76/00/1127457600.db2.gz YSZWKFYLZHRLLL-UHFFFAOYSA-N 1 1 283.375 3.575 20 30 CHEDMO CCC[N@@H+](Cc1nc(C)oc1C)Cc1ccc(C#N)cc1 ZINC000595291964 1127457602 /nfs/dbraw/zinc/45/76/02/1127457602.db2.gz YSZWKFYLZHRLLL-UHFFFAOYSA-N 1 1 283.375 3.575 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595437360 1127462986 /nfs/dbraw/zinc/46/29/86/1127462986.db2.gz FYNSQHWTFBDRGF-BEFAXECRSA-N 1 1 291.398 3.579 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503863 1127464988 /nfs/dbraw/zinc/46/49/88/1127464988.db2.gz XIYQTNYNGGLDII-MRXNPFEDSA-N 1 1 285.435 3.981 20 30 CHEDMO CC[C@@H](CC(F)F)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000595560216 1127467049 /nfs/dbraw/zinc/46/70/49/1127467049.db2.gz JTWQYQDBCDRWBU-NSHDSACASA-N 1 1 264.319 3.555 20 30 CHEDMO CC[C@@H](CC(F)F)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000595560216 1127467051 /nfs/dbraw/zinc/46/70/51/1127467051.db2.gz JTWQYQDBCDRWBU-NSHDSACASA-N 1 1 264.319 3.555 20 30 CHEDMO CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595622474 1127468712 /nfs/dbraw/zinc/46/87/12/1127468712.db2.gz BGLIUTWBYOHQOJ-HNNXBMFYSA-N 1 1 285.435 3.893 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000595609723 1127470193 /nfs/dbraw/zinc/47/01/93/1127470193.db2.gz OFJJMYLPEUZHNR-CQSZACIVSA-N 1 1 292.810 3.735 20 30 CHEDMO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612407 1127470559 /nfs/dbraw/zinc/47/05/59/1127470559.db2.gz WKRBTJPFLUABPL-NEPJUHHUSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612407 1127470560 /nfs/dbraw/zinc/47/05/60/1127470560.db2.gz WKRBTJPFLUABPL-NEPJUHHUSA-N 1 1 264.319 3.651 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000595612668 1127470612 /nfs/dbraw/zinc/47/06/12/1127470612.db2.gz ZRRMKSKJTZRPKB-ZDUSSCGKSA-N 1 1 278.396 3.543 20 30 CHEDMO CC(C)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000595656747 1127471844 /nfs/dbraw/zinc/47/18/44/1127471844.db2.gz DVNGJBOKZUSWKS-KBXCAEBGSA-N 1 1 268.404 3.860 20 30 CHEDMO N#CC1(CC[N@@H+]2CCC[C@@H](CCF)C2)CCCCC1 ZINC000595754444 1127474869 /nfs/dbraw/zinc/47/48/69/1127474869.db2.gz BKGHCBGHROZNRC-HNNXBMFYSA-N 1 1 266.404 3.922 20 30 CHEDMO N#CC1(CCC[N@@H+](CCC2CC2)CC2CC2)CCOCC1 ZINC000595870837 1127479927 /nfs/dbraw/zinc/47/99/27/1127479927.db2.gz HFYRJAWREMMKNH-UHFFFAOYSA-N 1 1 290.451 3.599 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790195 1127477152 /nfs/dbraw/zinc/47/71/52/1127477152.db2.gz UWVUCOSCNXYMKH-MOPGFXCFSA-N 1 1 298.430 3.648 20 30 CHEDMO N#CCCCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845846 1127478319 /nfs/dbraw/zinc/47/83/19/1127478319.db2.gz SFUKGNWCDHUGAL-AWEZNQCLSA-N 1 1 293.208 3.890 20 30 CHEDMO N#CCCCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845846 1127478322 /nfs/dbraw/zinc/47/83/22/1127478322.db2.gz SFUKGNWCDHUGAL-AWEZNQCLSA-N 1 1 293.208 3.890 20 30 CHEDMO CC(C)C[N@@H+](CC1(C#N)CC1)[C@H]1CCCc2cccnc21 ZINC000360452356 1127499648 /nfs/dbraw/zinc/49/96/48/1127499648.db2.gz SCKSUKPWXGTQBL-INIZCTEOSA-N 1 1 283.419 3.721 20 30 CHEDMO COc1ccc(F)c(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000293363788 1127500453 /nfs/dbraw/zinc/50/04/53/1127500453.db2.gz UWARDHRBCYXQFO-GOSISDBHSA-N 1 1 298.361 3.969 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597245 1127510151 /nfs/dbraw/zinc/51/01/51/1127510151.db2.gz MJJHFCDELZYHDE-UHFFFAOYSA-N 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CCCOc1ccc(C[NH2+][C@H](CC)CC#N)c(C)c1 ZINC000597085707 1127527907 /nfs/dbraw/zinc/52/79/07/1127527907.db2.gz HSFJARZXOCBAKA-OAHLLOKOSA-N 1 1 260.381 3.566 20 30 CHEDMO CCc1cccc2cc(C[NH2+][C@H](CC)CC#N)oc21 ZINC000597085060 1127527956 /nfs/dbraw/zinc/52/79/56/1127527956.db2.gz BFFWZZSCCSJLMM-CQSZACIVSA-N 1 1 256.349 3.777 20 30 CHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cc2cnccc2o1 ZINC000597157294 1127530637 /nfs/dbraw/zinc/53/06/37/1127530637.db2.gz DQRNOPIAUIZMFW-LBPRGKRZSA-N 1 1 269.348 3.562 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000597087203 1127528413 /nfs/dbraw/zinc/52/84/13/1127528413.db2.gz QZCRUYJKASFSNJ-HNNXBMFYSA-N 1 1 299.349 3.795 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000597173863 1127531211 /nfs/dbraw/zinc/53/12/11/1127531211.db2.gz MBKCWLJHXNERET-INIZCTEOSA-N 1 1 291.398 3.874 20 30 CHEDMO N#CCC1C[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000597193182 1127531340 /nfs/dbraw/zinc/53/13/40/1127531340.db2.gz DXIOKVFYHAJKEH-UHFFFAOYSA-N 1 1 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INPFWPOGGFGFDC-GFCCVEGCSA-N 1 1 285.366 3.605 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000602447495 1127581104 /nfs/dbraw/zinc/58/11/04/1127581104.db2.gz INPFWPOGGFGFDC-GFCCVEGCSA-N 1 1 285.366 3.605 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000602476473 1127581161 /nfs/dbraw/zinc/58/11/61/1127581161.db2.gz OMTKQDSEMKMVHS-HLLBOEOZSA-N 1 1 256.393 3.804 20 30 CHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)CCC#N)s1 ZINC000602477396 1127581521 /nfs/dbraw/zinc/58/15/21/1127581521.db2.gz VRLMEAIFHURMBY-CMPLNLGQSA-N 1 1 265.426 3.693 20 30 CHEDMO COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602458906 1127581994 /nfs/dbraw/zinc/58/19/94/1127581994.db2.gz QSDMIWOABUUAAI-GOEBONIOSA-N 1 1 272.392 3.772 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)[C@H](C)c1cnc(C)nc1C ZINC000602464127 1127582769 /nfs/dbraw/zinc/58/27/69/1127582769.db2.gz CBHGBNRWJYCSRD-CQSZACIVSA-N 1 1 288.439 3.806 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)[C@H](C)c1cnc(C)nc1C ZINC000602464127 1127582772 /nfs/dbraw/zinc/58/27/72/1127582772.db2.gz CBHGBNRWJYCSRD-CQSZACIVSA-N 1 1 288.439 3.806 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000602469124 1127582905 /nfs/dbraw/zinc/58/29/05/1127582905.db2.gz ADADDMBIEJOXIZ-HOCLYGCPSA-N 1 1 274.383 3.630 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000602471326 1127582921 /nfs/dbraw/zinc/58/29/21/1127582921.db2.gz CCSYQGBFQXAYBW-AWEZNQCLSA-N 1 1 274.383 3.978 20 30 CHEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](C)CCC#N)s1 ZINC000602471233 1127583321 /nfs/dbraw/zinc/58/33/21/1127583321.db2.gz KUHXKWDCCQHMPC-YPMHNXCESA-N 1 1 279.453 3.947 20 30 CHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](C)CCC#N)CCC2 ZINC000602480401 1127583835 /nfs/dbraw/zinc/58/38/35/1127583835.db2.gz VXFMGLBINDKBHF-TZMCWYRMSA-N 1 1 291.464 3.955 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000602477571 1127584036 /nfs/dbraw/zinc/58/40/36/1127584036.db2.gz SWEUZFKUCPDPNP-ZDUSSCGKSA-N 1 1 256.349 3.804 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](C)CCC#N)c1 ZINC000602483781 1127584673 /nfs/dbraw/zinc/58/46/73/1127584673.db2.gz LORPLTYLFYFYMC-OAHLLOKOSA-N 1 1 274.408 3.845 20 30 CHEDMO C[C@H](CCC#N)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000602483692 1127585138 /nfs/dbraw/zinc/58/51/38/1127585138.db2.gz JRSGKAGFOWJAJG-LLVKDONJSA-N 1 1 262.319 3.591 20 30 CHEDMO C/C(=C\c1ccccc1)C[N@H+](C)C[C@H](C)CCC#N ZINC000602632015 1127601323 /nfs/dbraw/zinc/60/13/23/1127601323.db2.gz BLHYNDVHJMKRPE-XYGUXCPDSA-N 1 1 256.393 3.962 20 30 CHEDMO Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602635777 1127601520 /nfs/dbraw/zinc/60/15/20/1127601520.db2.gz BRTDDNULGJHUDS-GOEBONIOSA-N 1 1 258.409 3.798 20 30 CHEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2cccc(Br)c2C1 ZINC000602620373 1127597494 /nfs/dbraw/zinc/59/74/94/1127597494.db2.gz VVJOOEJSQFQBGL-NSHDSACASA-N 1 1 293.208 3.705 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1Cc2cccc(Br)c2C1 ZINC000602620373 1127597496 /nfs/dbraw/zinc/59/74/96/1127597496.db2.gz VVJOOEJSQFQBGL-NSHDSACASA-N 1 1 293.208 3.705 20 30 CHEDMO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](C)CCC#N)cs1 ZINC000602615169 1127597528 /nfs/dbraw/zinc/59/75/28/1127597528.db2.gz IKWGQNYEGZUEKP-SMDDNHRTSA-N 1 1 263.410 3.528 20 30 CHEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602614378 1127597593 /nfs/dbraw/zinc/59/75/93/1127597593.db2.gz XZXGJIQPHCUXFT-AOIWGVFYSA-N 1 1 297.446 3.636 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000602676197 1127602875 /nfs/dbraw/zinc/60/28/75/1127602875.db2.gz MEEFVZXSFYPFHS-CJNGLKHVSA-N 1 1 292.810 3.733 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000602656502 1127603035 /nfs/dbraw/zinc/60/30/35/1127603035.db2.gz BAHVZWMJQXEHIE-QWHCGFSZSA-N 1 1 288.357 3.981 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000602690774 1127605067 /nfs/dbraw/zinc/60/50/67/1127605067.db2.gz OHVRODSIVPZNPP-SJLPKXTDSA-N 1 1 298.430 3.780 20 30 CHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000602703689 1127607206 /nfs/dbraw/zinc/60/72/06/1127607206.db2.gz BBHBQEGEDVTICH-UONOGXRCSA-N 1 1 274.383 3.727 20 30 CHEDMO N#Cc1cccc(C[NH2+]C2(c3ccccc3Cl)CCC2)n1 ZINC000602701041 1127607241 /nfs/dbraw/zinc/60/72/41/1127607241.db2.gz ZNZVKPAICZPTQW-UHFFFAOYSA-N 1 1 297.789 3.776 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000602710073 1127607965 /nfs/dbraw/zinc/60/79/65/1127607965.db2.gz XAXJMTPPEOGBAS-CQSZACIVSA-N 1 1 296.336 3.917 20 30 CHEDMO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602765761 1127611307 /nfs/dbraw/zinc/61/13/07/1127611307.db2.gz ZLFLOWXKMAEOSH-AWEZNQCLSA-N 1 1 267.376 3.635 20 30 CHEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000602763678 1127611584 /nfs/dbraw/zinc/61/15/84/1127611584.db2.gz CHFUATUNDOPHPF-MRXNPFEDSA-N 1 1 272.367 3.526 20 30 CHEDMO Cc1ccccc1[C@]1(F)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602825929 1127615958 /nfs/dbraw/zinc/61/59/58/1127615958.db2.gz UTUGBDOAVJDCOP-KRWDZBQOSA-N 1 1 272.367 3.559 20 30 CHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602825929 1127615960 /nfs/dbraw/zinc/61/59/60/1127615960.db2.gz UTUGBDOAVJDCOP-KRWDZBQOSA-N 1 1 272.367 3.559 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000602822612 1127615983 /nfs/dbraw/zinc/61/59/83/1127615983.db2.gz VZKRAOSFTGFIKC-UHFFFAOYSA-N 1 1 260.406 3.534 20 30 CHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602833280 1127616304 /nfs/dbraw/zinc/61/63/04/1127616304.db2.gz MZSGXDLRBSOANN-MRXNPFEDSA-N 1 1 272.392 3.772 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC1(CC#N)CC1)CC3 ZINC000602790993 1127616347 /nfs/dbraw/zinc/61/63/47/1127616347.db2.gz BEAYCSCYPMYBCK-UHFFFAOYSA-N 1 1 279.387 3.528 20 30 CHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC1(CC#N)CC1)CC3 ZINC000602790993 1127616349 /nfs/dbraw/zinc/61/63/49/1127616349.db2.gz BEAYCSCYPMYBCK-UHFFFAOYSA-N 1 1 279.387 3.528 20 30 CHEDMO C[C@@H](CC#N)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000602869492 1127618213 /nfs/dbraw/zinc/61/82/13/1127618213.db2.gz OIKTZJDZJUYRGO-HZMBPMFUSA-N 1 1 293.208 3.718 20 30 CHEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000602765770 1127613749 /nfs/dbraw/zinc/61/37/49/1127613749.db2.gz ZLFLOWXKMAEOSH-CQSZACIVSA-N 1 1 267.376 3.635 20 30 CHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CC1(CC#N)CC1)CCC2 ZINC000602798941 1127614420 /nfs/dbraw/zinc/61/44/20/1127614420.db2.gz YXNNWNMDDPNLIF-CYBMUJFWSA-N 1 1 289.448 3.709 20 30 CHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC1(CC#N)CC1)CCC2 ZINC000602798944 1127614722 /nfs/dbraw/zinc/61/47/22/1127614722.db2.gz YXNNWNMDDPNLIF-ZDUSSCGKSA-N 1 1 289.448 3.709 20 30 CHEDMO CC(C)O[C@H](C[N@H+](C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000602982573 1127623975 /nfs/dbraw/zinc/62/39/75/1127623975.db2.gz UYKGYFKOJAPQCK-OKZBNKHCSA-N 1 1 286.419 3.777 20 30 CHEDMO CC(C)O[C@H](C[N@@H+](C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000602982573 1127623978 /nfs/dbraw/zinc/62/39/78/1127623978.db2.gz UYKGYFKOJAPQCK-OKZBNKHCSA-N 1 1 286.419 3.777 20 30 CHEDMO C[C@H](CC[N@@H+](C)[C@H]1CCC[C@H]1C#N)OCc1ccccc1 ZINC000602979335 1127623227 /nfs/dbraw/zinc/62/32/27/1127623227.db2.gz CBZDYLIQOIKWGH-NJAFHUGGSA-N 1 1 286.419 3.606 20 30 CHEDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000602957324 1127623459 /nfs/dbraw/zinc/62/34/59/1127623459.db2.gz RSZQOKMTOWDVFE-VIFPVBQESA-N 1 1 291.807 3.827 20 30 CHEDMO C[N@H+](Cc1cccc(C(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980550 1127624244 /nfs/dbraw/zinc/62/42/44/1127624244.db2.gz RFQQVPDOSBQLRT-KGLIPLIRSA-N 1 1 264.319 3.748 20 30 CHEDMO C[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980550 1127624246 /nfs/dbraw/zinc/62/42/46/1127624246.db2.gz RFQQVPDOSBQLRT-KGLIPLIRSA-N 1 1 264.319 3.748 20 30 CHEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000598586660 1127626350 /nfs/dbraw/zinc/62/63/50/1127626350.db2.gz KJIOIQXMQNRHEW-XJKSGUPXSA-N 1 1 292.398 3.509 20 30 CHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000598614251 1127627305 /nfs/dbraw/zinc/62/73/05/1127627305.db2.gz BVNRZSKCPXCCAR-INIZCTEOSA-N 1 1 292.467 3.724 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(C)c1 ZINC000598596785 1127627478 /nfs/dbraw/zinc/62/74/78/1127627478.db2.gz TYSOHAWVRNUANA-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(C)c1 ZINC000598596785 1127627480 /nfs/dbraw/zinc/62/74/80/1127627480.db2.gz TYSOHAWVRNUANA-UHFFFAOYSA-N 1 1 259.397 3.542 20 30 CHEDMO CCCc1ccc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000598671192 1127632016 /nfs/dbraw/zinc/63/20/16/1127632016.db2.gz UPLVXCPHSBDWNF-UHFFFAOYSA-N 1 1 262.422 3.826 20 30 CHEDMO CCCc1ccc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000598671192 1127632018 /nfs/dbraw/zinc/63/20/18/1127632018.db2.gz UPLVXCPHSBDWNF-UHFFFAOYSA-N 1 1 262.422 3.826 20 30 CHEDMO CCCc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000598674236 1127632459 /nfs/dbraw/zinc/63/24/59/1127632459.db2.gz OBSQHYPYVSWBPU-HNNXBMFYSA-N 1 1 262.422 3.826 20 30 CHEDMO CCCc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000598674236 1127632460 /nfs/dbraw/zinc/63/24/60/1127632460.db2.gz OBSQHYPYVSWBPU-HNNXBMFYSA-N 1 1 262.422 3.826 20 30 CHEDMO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000593638508 1127643312 /nfs/dbraw/zinc/64/33/12/1127643312.db2.gz JJSPDNGADNHTQG-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000593638508 1127643315 /nfs/dbraw/zinc/64/33/15/1127643315.db2.gz JJSPDNGADNHTQG-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO C[C@H]([NH2+][C@@H]1CCCc2scnc21)c1ccc(C#N)cc1 ZINC000599025077 1127651361 /nfs/dbraw/zinc/65/13/61/1127651361.db2.gz YWNMNJIROQVXDW-SMDDNHRTSA-N 1 1 283.400 3.743 20 30 CHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)CC1CCCCC1 ZINC000603580869 1127660757 /nfs/dbraw/zinc/66/07/57/1127660757.db2.gz FKOUKXDYOHVNKU-UHFFFAOYSA-N 1 1 281.403 3.823 20 30 CHEDMO C#CC1CC[NH+](Cc2ccc(F)c(F)c2OC(C)C)CC1 ZINC001238745943 1131240064 /nfs/dbraw/zinc/24/00/64/1131240064.db2.gz GDCAGTZYTPDFLI-UHFFFAOYSA-N 1 1 293.357 3.597 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc1C#N ZINC000599325652 1127667661 /nfs/dbraw/zinc/66/76/61/1127667661.db2.gz GGHKUWNWIMYYFJ-AWEZNQCLSA-N 1 1 280.371 3.765 20 30 CHEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1C#N ZINC000599426921 1127671753 /nfs/dbraw/zinc/67/17/53/1127671753.db2.gz VVTVUANCGYFIQC-KRWDZBQOSA-N 1 1 291.398 3.641 20 30 CHEDMO CCc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000603823838 1127674115 /nfs/dbraw/zinc/67/41/15/1127674115.db2.gz RIFYQNVOUGALSP-UHFFFAOYSA-N 1 1 264.372 3.753 20 30 CHEDMO CCc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000603823838 1127674118 /nfs/dbraw/zinc/67/41/18/1127674118.db2.gz RIFYQNVOUGALSP-UHFFFAOYSA-N 1 1 264.372 3.753 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000603847451 1127675919 /nfs/dbraw/zinc/67/59/19/1127675919.db2.gz WBYCAHAVIGDZKH-OLMNPRSZSA-N 1 1 268.404 3.959 20 30 CHEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000599529779 1127678690 /nfs/dbraw/zinc/67/86/90/1127678690.db2.gz PMPVNQBDICMNFP-LBPRGKRZSA-N 1 1 293.794 3.525 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553148 1127680586 /nfs/dbraw/zinc/68/05/86/1127680586.db2.gz ORXDMZOBRDACMV-WQVCFCJDSA-N 1 1 272.417 3.589 20 30 CHEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599678106 1127686282 /nfs/dbraw/zinc/68/62/82/1127686282.db2.gz OORXPYKHBOCPAV-UHFFFAOYSA-N 1 1 282.412 3.681 20 30 CHEDMO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCc3ccccc31)C2 ZINC000599677649 1127688106 /nfs/dbraw/zinc/68/81/06/1127688106.db2.gz IRDCFGVKXXJCCN-HXUWFJFHSA-N 1 1 288.394 3.798 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000604016807 1127689636 /nfs/dbraw/zinc/68/96/36/1127689636.db2.gz CVZVLCFZSYAFST-LJQANCHMSA-N 1 1 294.373 3.904 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001118883927 1131240459 /nfs/dbraw/zinc/24/04/59/1131240459.db2.gz NQSIIQLKYCZSPA-INIZCTEOSA-N 1 1 270.420 3.685 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367166386 1127751528 /nfs/dbraw/zinc/75/15/28/1127751528.db2.gz ZPGCBMIBXQKFCX-KRWDZBQOSA-N 1 1 274.383 3.887 20 30 CHEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000605737689 1127747167 /nfs/dbraw/zinc/74/71/67/1127747167.db2.gz OSYXQHWOUMXBIF-UHFFFAOYSA-N 1 1 285.391 3.697 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000010089701 1127760952 /nfs/dbraw/zinc/76/09/52/1127760952.db2.gz XBFFSUBDPHCDFD-GOSISDBHSA-N 1 1 262.356 3.895 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000371516740 1127767533 /nfs/dbraw/zinc/76/75/33/1127767533.db2.gz ICABICCQGCBZEY-MRXNPFEDSA-N 1 1 260.356 3.526 20 30 CHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(C#N)cc1 ZINC000062746766 1127774007 /nfs/dbraw/zinc/77/40/07/1127774007.db2.gz VPHQRPKUZSTEKZ-RYUDHWBXSA-N 1 1 284.334 3.815 20 30 CHEDMO N#Cc1ccc(C2([NH2+]Cc3ccncc3Cl)CCC2)cc1 ZINC000594032529 1127774207 /nfs/dbraw/zinc/77/42/07/1127774207.db2.gz WFORQRFZSKZGCN-UHFFFAOYSA-N 1 1 297.789 3.776 20 30 CHEDMO C=CCC[N@H+](CC)Cc1cccc(Br)c1 ZINC000606897141 1127781373 /nfs/dbraw/zinc/78/13/73/1127781373.db2.gz UZSJUTSHZURFLP-UHFFFAOYSA-N 1 1 268.198 3.847 20 30 CHEDMO C=CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000606897010 1127781436 /nfs/dbraw/zinc/78/14/36/1127781436.db2.gz FEGDEDLGXHGIAS-AWEZNQCLSA-N 1 1 259.393 3.872 20 30 CHEDMO C=CC[N@H+](CC=C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063288375 1127811503 /nfs/dbraw/zinc/81/15/03/1127811503.db2.gz VBZUKTKPQMKWNE-UHFFFAOYSA-N 1 1 260.337 3.549 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)n1 ZINC000173581828 1127840444 /nfs/dbraw/zinc/84/04/44/1127840444.db2.gz KGQZZSLJMONBBO-UHFFFAOYSA-N 1 1 297.789 3.795 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)n1 ZINC000173581828 1127840449 /nfs/dbraw/zinc/84/04/49/1127840449.db2.gz KGQZZSLJMONBBO-UHFFFAOYSA-N 1 1 297.789 3.795 20 30 CHEDMO C[C@@H]1c2cccn2CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411142229 1127843382 /nfs/dbraw/zinc/84/33/82/1127843382.db2.gz GBECGPFFHYCTCE-OAHLLOKOSA-N 1 1 271.408 3.729 20 30 CHEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411142229 1127843385 /nfs/dbraw/zinc/84/33/85/1127843385.db2.gz GBECGPFFHYCTCE-OAHLLOKOSA-N 1 1 271.408 3.729 20 30 CHEDMO N#CC1(CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)CCCCC1 ZINC000411167582 1127844425 /nfs/dbraw/zinc/84/44/25/1127844425.db2.gz MGGTWMNREWOPTL-GOSISDBHSA-N 1 1 298.430 3.924 20 30 CHEDMO N#CC1(CC[N@H+]2CCO[C@@H](c3ccccc3)C2)CCCCC1 ZINC000411167582 1127844428 /nfs/dbraw/zinc/84/44/28/1127844428.db2.gz MGGTWMNREWOPTL-GOSISDBHSA-N 1 1 298.430 3.924 20 30 CHEDMO Cc1cc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)on1 ZINC000411169904 1127844927 /nfs/dbraw/zinc/84/49/27/1127844927.db2.gz FKFKMGYARYZYFX-OAHLLOKOSA-N 1 1 287.407 3.984 20 30 CHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ncc(C)o1 ZINC000411170125 1127845070 /nfs/dbraw/zinc/84/50/70/1127845070.db2.gz WJYPCTGBQHWRIY-AWEZNQCLSA-N 1 1 283.375 3.828 20 30 CHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ncc(C)o1 ZINC000411170125 1127845076 /nfs/dbraw/zinc/84/50/76/1127845076.db2.gz WJYPCTGBQHWRIY-AWEZNQCLSA-N 1 1 283.375 3.828 20 30 CHEDMO CC(C)OCCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411284939 1127852161 /nfs/dbraw/zinc/85/21/61/1127852161.db2.gz PYRMWGGXXREXSM-UHFFFAOYSA-N 1 1 266.429 3.597 20 30 CHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373579140 1127850250 /nfs/dbraw/zinc/85/02/50/1127850250.db2.gz CAOKJEHKNOWOPU-DNVCBOLYSA-N 1 1 294.373 3.655 20 30 CHEDMO CC(C)CO[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411318172 1127854187 /nfs/dbraw/zinc/85/41/87/1127854187.db2.gz POTGZEAUWXBVFR-MRXNPFEDSA-N 1 1 278.440 3.597 20 30 CHEDMO CSC[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411324178 1127855764 /nfs/dbraw/zinc/85/57/64/1127855764.db2.gz KOFIBHSYJMAXRX-AWEZNQCLSA-N 1 1 266.454 3.678 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000411380387 1127857164 /nfs/dbraw/zinc/85/71/64/1127857164.db2.gz AUSIYWVKLQDUMN-GOEBONIOSA-N 1 1 256.393 3.804 20 30 CHEDMO N#CC1(CC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CCCCC1 ZINC000411397249 1127857657 /nfs/dbraw/zinc/85/76/57/1127857657.db2.gz LKMXQVNHTFJNJT-IAGOWNOFSA-N 1 1 290.451 3.599 20 30 CHEDMO COc1cc([C@@H](C)[NH2+]CCC#N)ccc1OC1CCCC1 ZINC000411452127 1127860778 /nfs/dbraw/zinc/86/07/78/1127860778.db2.gz OVWCEEKZKHNDQI-CYBMUJFWSA-N 1 1 288.391 3.581 20 30 CHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000411626236 1127867713 /nfs/dbraw/zinc/86/77/13/1127867713.db2.gz ZGLSTIZFGHTBKE-QWRGUYRKSA-N 1 1 262.319 3.589 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCc2cncs2)CCCC1(C)C ZINC000411639719 1127867843 /nfs/dbraw/zinc/86/78/43/1127867843.db2.gz IEZHYQAXYYGUEF-AWEZNQCLSA-N 1 1 264.438 3.752 20 30 CHEDMO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000411903929 1127877845 /nfs/dbraw/zinc/87/78/45/1127877845.db2.gz KUDRFTDTZDKURW-CYBMUJFWSA-N 1 1 294.439 3.511 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000374267144 1127882956 /nfs/dbraw/zinc/88/29/56/1127882956.db2.gz DGKNPZFFPBRVSL-ROUUACIJSA-N 1 1 292.382 3.664 20 30 CHEDMO C[N@@H+](CCCCC#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000608832766 1127889285 /nfs/dbraw/zinc/88/92/85/1127889285.db2.gz TXPGDUTVUQVXDW-MSOLQXFVSA-N 1 1 286.419 3.780 20 30 CHEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000412077051 1127894695 /nfs/dbraw/zinc/89/46/95/1127894695.db2.gz STBPVOZQHGSAOR-OAHLLOKOSA-N 1 1 294.439 3.514 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC23CCCCC3)c1 ZINC000535381243 1127914241 /nfs/dbraw/zinc/91/42/41/1127914241.db2.gz BGLGYJNPKFARKB-UHFFFAOYSA-N 1 1 272.367 3.996 20 30 CHEDMO CC[N@@H+]1CC=C(c2cnc(NCCCCC#N)c(C)c2)CC1 ZINC001168428165 1127915955 /nfs/dbraw/zinc/91/59/55/1127915955.db2.gz YBVFXMFPYGPLJH-UHFFFAOYSA-N 1 1 298.434 3.605 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1C ZINC000442805636 1127917856 /nfs/dbraw/zinc/91/78/56/1127917856.db2.gz ALJWGWWJSKKOEB-UHFFFAOYSA-N 1 1 294.398 3.897 20 30 CHEDMO COc1cc(C[N@H+]2C[C@H](C)CCC[C@H]2C)ccc1C#N ZINC000442884354 1127919850 /nfs/dbraw/zinc/91/98/50/1127919850.db2.gz KCTLBUWSARRVDQ-ZIAGYGMSSA-N 1 1 272.392 3.577 20 30 CHEDMO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc(C#N)c1 ZINC000539498400 1127926533 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273.420 3.676 20 30 CHEDMO CCc1cnc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000271943835 1128083870 /nfs/dbraw/zinc/08/38/70/1128083870.db2.gz MUNCXYHSRUUMCK-SNVBAGLBSA-N 1 1 289.379 3.567 20 30 CHEDMO C=CCOCCC[N@@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000470870103 1128079010 /nfs/dbraw/zinc/07/90/10/1128079010.db2.gz PQNPAFTWOCXENK-OAHLLOKOSA-N 1 1 251.414 3.646 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(CO)cc1 ZINC000470908872 1128079626 /nfs/dbraw/zinc/07/96/26/1128079626.db2.gz KKEJOINTJJGMBQ-UHFFFAOYSA-N 1 1 281.399 3.757 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000470874937 1128080176 /nfs/dbraw/zinc/08/01/76/1128080176.db2.gz YECUDZKRRAVDGW-SFHVURJKSA-N 1 1 273.420 3.551 20 30 CHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000470913860 1128080474 /nfs/dbraw/zinc/08/04/74/1128080474.db2.gz SSPASNZACPCYHE-WBVHZDCISA-N 1 1 259.393 3.632 20 30 CHEDMO C=C(C)C[N@H+](CCC(C)(C)OC)Cc1ccccc1 ZINC000470932562 1128080516 /nfs/dbraw/zinc/08/05/16/1128080516.db2.gz QIHHFVGCQLIQEA-UHFFFAOYSA-N 1 1 261.409 3.880 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471007488 1128085528 /nfs/dbraw/zinc/08/55/28/1128085528.db2.gz QTSHNADUDRDRJE-KRWDZBQOSA-N 1 1 273.420 3.685 20 30 CHEDMO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000471022600 1128085932 /nfs/dbraw/zinc/08/59/32/1128085932.db2.gz ODUZWJOTYQPWKK-HNAYVOBHSA-N 1 1 292.382 3.630 20 30 CHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCSCC#N ZINC000174174364 1128097525 /nfs/dbraw/zinc/09/75/25/1128097525.db2.gz NZUIURWJEJERLI-UONOGXRCSA-N 1 1 254.443 3.534 20 30 CHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCCSCC#N ZINC000174174350 1128097795 /nfs/dbraw/zinc/09/77/95/1128097795.db2.gz NZUIURWJEJERLI-KGLIPLIRSA-N 1 1 254.443 3.534 20 30 CHEDMO C=CC[N@H+](C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000494643094 1128184299 /nfs/dbraw/zinc/18/42/99/1128184299.db2.gz NAOBPGQEPJRAAX-UHFFFAOYSA-N 1 1 253.773 3.745 20 30 CHEDMO C=CC[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000494637121 1128184548 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CCS[C@@H]1CCCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929624133 1128279773 /nfs/dbraw/zinc/27/97/73/1128279773.db2.gz MZFOAOFQVJVXMS-UYSNPLJNSA-N 1 1 280.481 3.924 20 30 CHEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000929813116 1128289568 /nfs/dbraw/zinc/28/95/68/1128289568.db2.gz YCABVUPDTWXYHQ-DQPZFDDXSA-N 1 1 269.392 3.548 20 30 CHEDMO CC[N@@H+](Cc1ccccn1)Cc1c(C)cc(C#N)cc1C ZINC000929823794 1128289691 /nfs/dbraw/zinc/28/96/91/1128289691.db2.gz IWWRXJVEUDYDAV-UHFFFAOYSA-N 1 1 279.387 3.592 20 30 CHEDMO Cc1csc(C(C)(C)[NH2+]Cc2c(C)cc(C#N)cc2C)n1 ZINC000929988110 1128296474 /nfs/dbraw/zinc/29/64/74/1128296474.db2.gz PKWZKFCCHVBQKR-UHFFFAOYSA-N 1 1 299.443 3.965 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000930316232 1128313606 /nfs/dbraw/zinc/31/36/06/1128313606.db2.gz SJTBRHYKUHXMII-QGZVFWFLSA-N 1 1 291.398 3.560 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000930511157 1128322998 /nfs/dbraw/zinc/32/29/98/1128322998.db2.gz AJJUDHJEFTURPB-CYBMUJFWSA-N 1 1 278.346 3.652 20 30 CHEDMO C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCC1(F)F ZINC000930514219 1128323924 /nfs/dbraw/zinc/32/39/24/1128323924.db2.gz URIYLHBSLMSVHZ-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCC1(F)F ZINC000930514219 1128323925 /nfs/dbraw/zinc/32/39/25/1128323925.db2.gz URIYLHBSLMSVHZ-JTQLQIEISA-N 1 1 284.737 3.689 20 30 CHEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000930750203 1128333762 /nfs/dbraw/zinc/33/37/62/1128333762.db2.gz SDSMHQQUMPYHTM-RUXDESIVSA-N 1 1 288.357 3.981 20 30 CHEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CCCC1 ZINC000153675207 1128331808 /nfs/dbraw/zinc/33/18/08/1128331808.db2.gz VZUGTHQKMOZVBC-UHFFFAOYSA-N 1 1 285.435 3.801 20 30 CHEDMO CCc1onc(C)c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000930764032 1128333412 /nfs/dbraw/zinc/33/34/12/1128333412.db2.gz ISMOROHZFVBAJF-CYBMUJFWSA-N 1 1 283.375 3.610 20 30 CHEDMO CCc1onc(C)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000930764032 1128333417 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ZINC000562259209 1128390893 /nfs/dbraw/zinc/39/08/93/1128390893.db2.gz ISDXEHXXULRWKW-UHFFFAOYSA-N 1 1 291.826 3.522 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000932151238 1128397113 /nfs/dbraw/zinc/39/71/13/1128397113.db2.gz MIESOXQGBBHHCG-AWEZNQCLSA-N 1 1 274.367 3.992 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000932151238 1128397115 /nfs/dbraw/zinc/39/71/15/1128397115.db2.gz MIESOXQGBBHHCG-AWEZNQCLSA-N 1 1 274.367 3.992 20 30 CHEDMO CC(C)C[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1F ZINC000932443465 1128409962 /nfs/dbraw/zinc/40/99/62/1128409962.db2.gz KXVNRWLLCOXKPK-UHFFFAOYSA-N 1 1 297.377 3.751 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1F ZINC000932443465 1128409965 /nfs/dbraw/zinc/40/99/65/1128409965.db2.gz KXVNRWLLCOXKPK-UHFFFAOYSA-N 1 1 297.377 3.751 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496834134 1128424175 /nfs/dbraw/zinc/42/41/75/1128424175.db2.gz BBCZWOBAEPGOJB-GJZGRUSLSA-N 1 1 296.455 3.578 20 30 CHEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1CCCSCC#N ZINC000932928555 1128427859 /nfs/dbraw/zinc/42/78/59/1128427859.db2.gz ODWVVQFVHJXSPA-HNNXBMFYSA-N 1 1 294.489 3.792 20 30 CHEDMO C#CCC1([NH2+][C@H](C)c2ncc(C(C)(C)C)o2)CCC1 ZINC000933299616 1128433351 /nfs/dbraw/zinc/43/33/51/1128433351.db2.gz YSRGYUHUEUMOHI-GFCCVEGCSA-N 1 1 260.381 3.569 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916635 1128447545 /nfs/dbraw/zinc/44/75/45/1128447545.db2.gz GHYXTCWLAYCUTB-OAHLLOKOSA-N 1 1 280.481 3.924 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000934469875 1128461308 /nfs/dbraw/zinc/46/13/08/1128461308.db2.gz INMFOLOOCJTGDB-OAHLLOKOSA-N 1 1 256.324 3.524 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934834845 1128470971 /nfs/dbraw/zinc/47/09/71/1128470971.db2.gz CYAVDVVTNBUAFR-LZQZEXGQSA-N 1 1 298.430 3.758 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000154418117 1128502059 /nfs/dbraw/zinc/50/20/59/1128502059.db2.gz GODZUKNDOMXLPJ-OAHLLOKOSA-N 1 1 292.382 3.536 20 30 CHEDMO C=CCCCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000565462226 1128527066 /nfs/dbraw/zinc/52/70/66/1128527066.db2.gz AQKZGMDGSMWEAJ-OAHLLOKOSA-N 1 1 284.407 3.616 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154715649 1128543442 /nfs/dbraw/zinc/54/34/42/1128543442.db2.gz FPRNMGJNNWGZBR-KRWDZBQOSA-N 1 1 287.428 3.860 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccc(C#N)cc1 ZINC000556063722 1128543896 /nfs/dbraw/zinc/54/38/96/1128543896.db2.gz KPEMCJMZFPAIDQ-CQSZACIVSA-N 1 1 271.389 3.564 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1C ZINC000566823024 1128552366 /nfs/dbraw/zinc/55/23/66/1128552366.db2.gz HAQSGXDRTCBKAW-OAHLLOKOSA-N 1 1 275.392 3.553 20 30 CHEDMO CC[N@H+](CCSc1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000064249289 1128557203 /nfs/dbraw/zinc/55/72/03/1128557203.db2.gz FDLLJUZXWRIEFP-ZDUSSCGKSA-N 1 1 276.449 3.877 20 30 CHEDMO CC[N@@H+](CCSc1ccc(C)c(C)c1)C[C@@H](C)C#N ZINC000064249289 1128557209 /nfs/dbraw/zinc/55/72/09/1128557209.db2.gz FDLLJUZXWRIEFP-ZDUSSCGKSA-N 1 1 276.449 3.877 20 30 CHEDMO Cc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)nc1 ZINC000130490676 1128584134 /nfs/dbraw/zinc/58/41/34/1128584134.db2.gz XLPZDMUJKHBBCK-QGZVFWFLSA-N 1 1 265.360 3.525 20 30 CHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000568407822 1128584221 /nfs/dbraw/zinc/58/42/21/1128584221.db2.gz TZNFRNKMEOVYDW-UGSOOPFHSA-N 1 1 295.361 3.675 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000569634718 1128606291 /nfs/dbraw/zinc/60/62/91/1128606291.db2.gz ZOABFODWIOZIRX-UHFFFAOYSA-N 1 1 273.298 3.809 20 30 CHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000131213631 1128610147 /nfs/dbraw/zinc/61/01/47/1128610147.db2.gz HJQSPPMHOPDJSJ-HNNXBMFYSA-N 1 1 260.356 3.902 20 30 CHEDMO C#CC[N@H+](Cc1csc(-c2ccoc2)n1)C1CCCC1 ZINC000155880304 1128617487 /nfs/dbraw/zinc/61/74/87/1128617487.db2.gz GJSINEVLSNXVST-UHFFFAOYSA-N 1 1 286.400 3.781 20 30 CHEDMO C#CC[N@@H+](Cc1csc(-c2ccoc2)n1)C1CCCC1 ZINC000155880304 1128617488 /nfs/dbraw/zinc/61/74/88/1128617488.db2.gz GJSINEVLSNXVST-UHFFFAOYSA-N 1 1 286.400 3.781 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000919648827 1128618661 /nfs/dbraw/zinc/61/86/61/1128618661.db2.gz VPIFZVACFAFTKY-CQSZACIVSA-N 1 1 298.199 3.741 20 30 CHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000919648827 1128618663 /nfs/dbraw/zinc/61/86/63/1128618663.db2.gz VPIFZVACFAFTKY-CQSZACIVSA-N 1 1 298.199 3.741 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000156107265 1128626037 /nfs/dbraw/zinc/62/60/37/1128626037.db2.gz MHSYSXUYUSLNIF-INIZCTEOSA-N 1 1 298.411 3.965 20 30 CHEDMO C[C@@H](O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000573886144 1128659089 /nfs/dbraw/zinc/65/90/89/1128659089.db2.gz OFNLEUXTJJEPCR-MRXNPFEDSA-N 1 1 288.435 3.589 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCCc1cccc(F)c1 ZINC000778947342 1128671026 /nfs/dbraw/zinc/67/10/26/1128671026.db2.gz VHIFIRGWAARASO-UHFFFAOYSA-N 1 1 262.372 3.630 20 30 CHEDMO C[C@@H](C#N)n1cc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)cn1 ZINC000600778607 1128680646 /nfs/dbraw/zinc/68/06/46/1128680646.db2.gz FLOUXXXNEWCYSZ-GJZGRUSLSA-N 1 1 294.402 3.619 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@](O)(CF)CC1 ZINC001258044359 1128686226 /nfs/dbraw/zinc/68/62/26/1128686226.db2.gz MFHURFLVIOHBEH-HZPDHXFCSA-N 1 1 273.436 3.922 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001258047599 1128687917 /nfs/dbraw/zinc/68/79/17/1128687917.db2.gz MTHXXSICYBFHNB-SJORKVTESA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCC[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001258047599 1128687918 /nfs/dbraw/zinc/68/79/18/1128687918.db2.gz MTHXXSICYBFHNB-SJORKVTESA-N 1 1 266.473 3.906 20 30 CHEDMO Cc1cc(C)c(C[S@](=O)CCCC(C)(C)C#N)c(C)[nH+]1 ZINC000600933719 1128688014 /nfs/dbraw/zinc/68/80/14/1128688014.db2.gz FHPOLNPJVOMZNE-HXUWFJFHSA-N 1 1 292.448 3.586 20 30 CHEDMO CCCCCCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258049447 1128688421 /nfs/dbraw/zinc/68/84/21/1128688421.db2.gz HYLMCGDSZMMMQS-SJORKVTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258049447 1128688423 /nfs/dbraw/zinc/68/84/23/1128688423.db2.gz HYLMCGDSZMMMQS-SJORKVTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001258049447 1128688424 /nfs/dbraw/zinc/68/84/24/1128688424.db2.gz HYLMCGDSZMMMQS-SJORKVTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001258049447 1128688425 /nfs/dbraw/zinc/68/84/25/1128688425.db2.gz HYLMCGDSZMMMQS-SJORKVTESA-N 1 1 266.473 3.763 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000779031149 1128689427 /nfs/dbraw/zinc/68/94/27/1128689427.db2.gz DVAYJNZNECFYKS-LLVKDONJSA-N 1 1 290.716 3.820 20 30 CHEDMO CCCCCCC[C@H](C)[N@H+]1CCc2c(ncnc2OC)C1 ZINC001258050897 1128696041 /nfs/dbraw/zinc/69/60/41/1128696041.db2.gz YZKSBUVGRHJPHR-AWEZNQCLSA-N 1 1 291.439 3.592 20 30 CHEDMO CCCCCCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001258050395 1128692070 /nfs/dbraw/zinc/69/20/70/1128692070.db2.gz UCBOLCXOUZUJDJ-DOTOQJQBSA-N 1 1 282.472 3.678 20 30 CHEDMO C=CC[C@@H]1[N@@H+](CCc2ccnn2CC)CCCC1(C)C ZINC000577940707 1128699851 /nfs/dbraw/zinc/69/98/51/1128699851.db2.gz QQILPAKJHQJWDV-INIZCTEOSA-N 1 1 275.440 3.512 20 30 CHEDMO C=CCOCCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000578361846 1128715127 /nfs/dbraw/zinc/71/51/27/1128715127.db2.gz CUGSWHHWHMDLFP-KRWDZBQOSA-N 1 1 277.408 3.671 20 30 CHEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000609560632 1128717343 /nfs/dbraw/zinc/71/73/43/1128717343.db2.gz AHULQYLWHZLATG-UHFFFAOYSA-N 1 1 291.826 3.522 20 30 CHEDMO C[N@@H+](Cc1cc(F)cc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001139879005 1117754463 /nfs/dbraw/zinc/75/44/63/1117754463.db2.gz DOPDNUCRDVJXPJ-SFHVURJKSA-N 1 1 280.346 3.817 20 30 CHEDMO C[N@@H+](CC#Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000671246891 1117784671 /nfs/dbraw/zinc/78/46/71/1117784671.db2.gz RYJQEVHGEFVLGV-UHFFFAOYSA-N 1 1 263.384 3.905 20 30 CHEDMO N#Cc1cc(C[NH+]2CC3(C2)CCCC3)ccc1Cl ZINC001238189794 1117816260 /nfs/dbraw/zinc/81/62/60/1117816260.db2.gz WQXJBZUJLDURTB-UHFFFAOYSA-N 1 1 260.768 3.588 20 30 CHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCCSCC#N)C1 ZINC000285648328 1117872246 /nfs/dbraw/zinc/87/22/46/1117872246.db2.gz LPMNRUVMCXEBCO-HOCLYGCPSA-N 1 1 274.433 3.716 20 30 CHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623562641 1117872479 /nfs/dbraw/zinc/87/24/79/1117872479.db2.gz YGAIGXJPQZQVSA-PMPSAXMXSA-N 1 1 264.457 3.584 20 30 CHEDMO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)no1 ZINC000336337131 1117891741 /nfs/dbraw/zinc/89/17/41/1117891741.db2.gz JVFCFLUWISKMIX-MLGOLLRUSA-N 1 1 281.359 3.583 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000349428785 1117899712 /nfs/dbraw/zinc/89/97/12/1117899712.db2.gz ZLJFJNRBQYQDAP-FRFSOERESA-N 1 1 266.344 3.651 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc2nccn21 ZINC000179603212 1117908267 /nfs/dbraw/zinc/90/82/67/1117908267.db2.gz QEZJCNXVEVKPIA-UHFFFAOYSA-N 1 1 283.400 3.584 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc2nccn21 ZINC000179603212 1117908268 /nfs/dbraw/zinc/90/82/68/1117908268.db2.gz QEZJCNXVEVKPIA-UHFFFAOYSA-N 1 1 283.400 3.584 20 30 CHEDMO N#Cc1ccc(CCC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC001208860623 1117942491 /nfs/dbraw/zinc/94/24/91/1117942491.db2.gz QGFZQPIBHLMBPS-UHFFFAOYSA-N 1 1 278.346 3.612 20 30 CHEDMO CC[N@@H+](CCC(C)(C)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000336827578 1117945424 /nfs/dbraw/zinc/94/54/24/1117945424.db2.gz BGYJMYRZYPHSRR-AWEZNQCLSA-N 1 1 274.408 3.756 20 30 CHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC001208926131 1117968289 /nfs/dbraw/zinc/96/82/89/1117968289.db2.gz BYRFPLBRGRLIKY-UHFFFAOYSA-N 1 1 284.790 3.886 20 30 CHEDMO C[C@H](c1cccs1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000219516696 1117982648 /nfs/dbraw/zinc/98/26/48/1117982648.db2.gz OFLUZSJZVHSRMO-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000219516696 1117982651 /nfs/dbraw/zinc/98/26/51/1117982651.db2.gz OFLUZSJZVHSRMO-LLVKDONJSA-N 1 1 274.364 3.952 20 30 CHEDMO C=CCC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000624123434 1117986767 /nfs/dbraw/zinc/98/67/67/1117986767.db2.gz LUKDRFCSYKMBEW-HZPDHXFCSA-N 1 1 276.424 3.608 20 30 CHEDMO C=CCCC[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001209160742 1118006971 /nfs/dbraw/zinc/00/69/71/1118006971.db2.gz BKTAVTLNCCFHSL-AEFFLSMTSA-N 1 1 286.419 3.529 20 30 CHEDMO C=CCCCC[N@@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001209200171 1118011465 /nfs/dbraw/zinc/01/14/65/1118011465.db2.gz DAPYOIXATVEZQR-HNNXBMFYSA-N 1 1 296.455 3.674 20 30 CHEDMO C=CCCCC[N@H+](CC)CCc1ccc(OC)cc1 ZINC001209207000 1118012493 /nfs/dbraw/zinc/01/24/93/1118012493.db2.gz GZHQIXKDFZZJFF-UHFFFAOYSA-N 1 1 261.409 3.916 20 30 CHEDMO C#CCCC[N@@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001209268273 1118022285 /nfs/dbraw/zinc/02/22/85/1118022285.db2.gz DUKFYBMOVGCJMN-LBPRGKRZSA-N 1 1 292.220 3.609 20 30 CHEDMO C#CCCCCCC[N@@H+](Cc1ccccn1)C(C)C ZINC001167108328 1118024020 /nfs/dbraw/zinc/02/40/20/1118024020.db2.gz PHMAYCHUEMAZMW-UHFFFAOYSA-N 1 1 258.409 3.876 20 30 CHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc2ccccc2o1 ZINC000182624874 1118026543 /nfs/dbraw/zinc/02/65/43/1118026543.db2.gz SHTAEJXSHFGRBA-CHWSQXEVSA-N 1 1 267.332 3.527 20 30 CHEDMO C#CC[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000073387950 1118029057 /nfs/dbraw/zinc/02/90/57/1118029057.db2.gz CTSDMUJRXPZIFK-OAHLLOKOSA-N 1 1 292.382 3.565 20 30 CHEDMO C[C@H]1C[C@H]1C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209422792 1118048652 /nfs/dbraw/zinc/04/86/52/1118048652.db2.gz YHOJWGZKOMUFIF-JSGCOSHPSA-N 1 1 262.784 3.712 20 30 CHEDMO C[C@H]1C[C@H]1C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209422792 1118048656 /nfs/dbraw/zinc/04/86/56/1118048656.db2.gz YHOJWGZKOMUFIF-JSGCOSHPSA-N 1 1 262.784 3.712 20 30 CHEDMO C=CCCCCC[N@@H+]1CCc2ccc(C(C)=O)cc2C1 ZINC001209429370 1118050404 /nfs/dbraw/zinc/05/04/04/1118050404.db2.gz ZVBIEQDWQHVHIT-UHFFFAOYSA-N 1 1 271.404 3.994 20 30 CHEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001209429183 1118051024 /nfs/dbraw/zinc/05/10/24/1118051024.db2.gz WHVACPYKASZXSH-OAHLLOKOSA-N 1 1 296.455 3.674 20 30 CHEDMO C=CCCCCC[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001209432852 1118054211 /nfs/dbraw/zinc/05/42/11/1118054211.db2.gz LBJTWDNQIRLXLD-KRWDZBQOSA-N 1 1 274.408 3.671 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC001209437972 1118055293 /nfs/dbraw/zinc/05/52/93/1118055293.db2.gz AOUDWRPLQFFCCT-JKSUJKDBSA-N 1 1 253.430 3.606 20 30 CHEDMO C=CCCCCCC[N@H+]1CCc2ncsc2C1 ZINC001209435988 1118056529 /nfs/dbraw/zinc/05/65/29/1118056529.db2.gz LOJPZCBYHRVDAE-UHFFFAOYSA-N 1 1 250.411 3.638 20 30 CHEDMO C=CCCCCCCC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001209438627 1118057773 /nfs/dbraw/zinc/05/77/73/1118057773.db2.gz PYNHFUWVVVQVFO-WKILWMFISA-N 1 1 253.430 3.748 20 30 CHEDMO C=CCCCCCC[N@@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001209440187 1118058172 /nfs/dbraw/zinc/05/81/72/1118058172.db2.gz DMLBRPDRTOVDFV-HNNXBMFYSA-N 1 1 291.439 3.948 20 30 CHEDMO C=CCCCCCCCC[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001209442384 1118060305 /nfs/dbraw/zinc/06/03/05/1118060305.db2.gz HHRKYBPJAFJMNL-OAHLLOKOSA-N 1 1 269.404 3.906 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001209443185 1118060329 /nfs/dbraw/zinc/06/03/29/1118060329.db2.gz NZCKSJJSNUXWDZ-JKSUJKDBSA-N 1 1 271.420 3.555 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)c(F)c2)c(F)c1 ZINC000237700457 1128753309 /nfs/dbraw/zinc/75/33/09/1128753309.db2.gz FFWBHJAPZQYZST-UHFFFAOYSA-N 1 1 292.716 3.780 20 30 CHEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC001167147572 1118070166 /nfs/dbraw/zinc/07/01/66/1118070166.db2.gz XOXJEZISOCLHNL-INIZCTEOSA-N 1 1 283.456 3.617 20 30 CHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2Cl)C1 ZINC001238780061 1118082060 /nfs/dbraw/zinc/08/20/60/1118082060.db2.gz DGYUKVADDIOFGO-LBPRGKRZSA-N 1 1 265.759 3.633 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2Cl)C1 ZINC001238780061 1118082062 /nfs/dbraw/zinc/08/20/62/1118082062.db2.gz DGYUKVADDIOFGO-LBPRGKRZSA-N 1 1 265.759 3.633 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238786132 1118083341 /nfs/dbraw/zinc/08/33/41/1118083341.db2.gz YBZWMAHMGSDKSD-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238786132 1118083344 /nfs/dbraw/zinc/08/33/44/1118083344.db2.gz YBZWMAHMGSDKSD-LBPRGKRZSA-N 1 1 280.774 3.913 20 30 CHEDMO C#CC[N@H+](Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC000764678029 1118105557 /nfs/dbraw/zinc/10/55/57/1118105557.db2.gz ZJXBNUISHZTVCZ-UHFFFAOYSA-N 1 1 267.328 3.670 20 30 CHEDMO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC000764678029 1118105561 /nfs/dbraw/zinc/10/55/61/1118105561.db2.gz ZJXBNUISHZTVCZ-UHFFFAOYSA-N 1 1 267.328 3.670 20 30 CHEDMO FC(F)(F)CO[NH+]=Cc1ccccc1N1CCCCC1 ZINC000764845343 1118121398 /nfs/dbraw/zinc/12/13/98/1118121398.db2.gz UWOZTUQXJNDVIP-UHFFFAOYSA-N 1 1 286.297 3.590 20 30 CHEDMO CC#CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000764976261 1118127986 /nfs/dbraw/zinc/12/79/86/1118127986.db2.gz UNSCUVWNVKIABE-RTBURBONSA-N 1 1 285.431 3.768 20 30 CHEDMO CC[C@H](NC[C@@H](C(C)C)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000579915763 1118159604 /nfs/dbraw/zinc/15/96/04/1118159604.db2.gz QTSMCMDIXKDCBS-OALUTQOASA-N 1 1 299.462 3.719 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2nnc(CC)s2)CCCC1(C)C ZINC000683528276 1118170014 /nfs/dbraw/zinc/17/00/14/1118170014.db2.gz OPPOUEPRCHMTSO-GFCCVEGCSA-N 1 1 279.453 3.667 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2nnc(CC)s2)CCCC1(C)C ZINC000683528276 1118170017 /nfs/dbraw/zinc/17/00/17/1118170017.db2.gz OPPOUEPRCHMTSO-GFCCVEGCSA-N 1 1 279.453 3.667 20 30 CHEDMO Cc1ncsc1CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000172076457 1118177383 /nfs/dbraw/zinc/17/73/83/1118177383.db2.gz LCMZJDLSCMDPON-UHFFFAOYSA-N 1 1 299.443 3.776 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000076738472 1118215102 /nfs/dbraw/zinc/21/51/02/1118215102.db2.gz RTISXIYYAZVARJ-UHFFFAOYSA-N 1 1 258.340 3.772 20 30 CHEDMO N#CCC1(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001167332190 1118317496 /nfs/dbraw/zinc/31/74/96/1118317496.db2.gz HTQSSLOADSRPLD-KRWDZBQOSA-N 1 1 268.404 3.635 20 30 CHEDMO C[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1cccc(C#N)c1 ZINC000610344827 1118337104 /nfs/dbraw/zinc/33/71/04/1118337104.db2.gz IUVHMJPQEHPDOZ-LLVKDONJSA-N 1 1 283.400 3.743 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000683779631 1118359143 /nfs/dbraw/zinc/35/91/43/1118359143.db2.gz JGGZUPKXPZFRFO-MRXNPFEDSA-N 1 1 273.424 3.711 20 30 CHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(Br)cc1 ZINC000087595231 1118377511 /nfs/dbraw/zinc/37/75/11/1118377511.db2.gz AGMGTHMHZSCICM-UHFFFAOYSA-N 1 1 295.224 3.821 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC001655811246 1118422883 /nfs/dbraw/zinc/42/28/83/1118422883.db2.gz JBFNIGBAWONWIE-UHFFFAOYSA-N 1 1 266.316 3.522 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000683889842 1118429293 /nfs/dbraw/zinc/42/92/93/1118429293.db2.gz QMJUUCZOLYXIRE-NVXWUHKLSA-N 1 1 284.403 3.664 20 30 CHEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC001167406690 1118461979 /nfs/dbraw/zinc/46/19/79/1118461979.db2.gz TVAXKDVOIKSRBK-JKSUJKDBSA-N 1 1 292.467 3.579 20 30 CHEDMO N#CCCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000926134360 1118542746 /nfs/dbraw/zinc/54/27/46/1118542746.db2.gz YEBUDFNWYZISDX-INIZCTEOSA-N 1 1 285.778 3.718 20 30 CHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC001167461252 1118593896 /nfs/dbraw/zinc/59/38/96/1118593896.db2.gz CRUKKEMWVURIAO-AWEZNQCLSA-N 1 1 292.398 3.831 20 30 CHEDMO C=CCc1cc(C[N@H+](C)C[C@H](C)CC)c(O)c(OC)c1 ZINC000754726580 1118646560 /nfs/dbraw/zinc/64/65/60/1118646560.db2.gz SRBGGAWWNCFKEY-CYBMUJFWSA-N 1 1 277.408 3.607 20 30 CHEDMO C[C@@H]1CC[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000335816962 1118649415 /nfs/dbraw/zinc/64/94/15/1118649415.db2.gz MUKOHCKXEIOREI-ABAIWWIYSA-N 1 1 283.400 3.743 20 30 CHEDMO CC(C)(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000157361822 1118649422 /nfs/dbraw/zinc/64/94/22/1118649422.db2.gz POGZNKIEIUGYQX-UHFFFAOYSA-N 1 1 268.360 3.952 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H]2CSc3ccccc32)c(F)c1 ZINC000335827492 1118649427 /nfs/dbraw/zinc/64/94/27/1118649427.db2.gz BAFWEPCRZVBNNW-HNNXBMFYSA-N 1 1 284.359 3.634 20 30 CHEDMO CCCCCCCCC[N@H+]1CCCC[C@@H]1CCO ZINC000110049386 1118650814 /nfs/dbraw/zinc/65/08/14/1118650814.db2.gz OLWGMAMXSPXRQM-MRXNPFEDSA-N 1 1 255.446 3.974 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000126772760 1118677451 /nfs/dbraw/zinc/67/74/51/1118677451.db2.gz NZBIAEPNMLMEMS-INIZCTEOSA-N 1 1 272.417 3.942 20 30 CHEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000287021572 1118691565 /nfs/dbraw/zinc/69/15/65/1118691565.db2.gz RLMDATWVSGSIBJ-UHFFFAOYSA-N 1 1 294.345 3.577 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000891503533 1118698410 /nfs/dbraw/zinc/69/84/10/1118698410.db2.gz HXKWOIMPXMOEHN-LBPRGKRZSA-N 1 1 256.374 3.813 20 30 CHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000471716462 1118702311 /nfs/dbraw/zinc/70/23/11/1118702311.db2.gz UZRIJYKTUYHNHU-UHFFFAOYSA-N 1 1 262.372 3.978 20 30 CHEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cnc1F ZINC000891623544 1118724903 /nfs/dbraw/zinc/72/49/03/1118724903.db2.gz PQOSPKGHTGLKOL-UHFFFAOYSA-N 1 1 297.377 3.811 20 30 CHEDMO CC[N@@H+](Cc1ccc(OC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657689 1118732370 /nfs/dbraw/zinc/73/23/70/1118732370.db2.gz ZSFHWMMBABFEFT-ZDUSSCGKSA-N 1 1 284.359 3.743 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)CCC(F)(F)F ZINC000077272070 1128799598 /nfs/dbraw/zinc/79/95/98/1128799598.db2.gz ZCYANRWQNXWQGC-UHFFFAOYSA-N 1 1 257.299 3.670 20 30 CHEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000616784875 1128799728 /nfs/dbraw/zinc/79/97/28/1128799728.db2.gz ZTQMLVVUTWIPQI-UHFFFAOYSA-N 1 1 276.383 3.733 20 30 CHEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1C ZINC000933772932 1118793641 /nfs/dbraw/zinc/79/36/41/1118793641.db2.gz YEIJAQNTIJTNLW-UHFFFAOYSA-N 1 1 286.400 3.569 20 30 CHEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cc(C#N)cs1 ZINC000933772065 1118794012 /nfs/dbraw/zinc/79/40/12/1118794012.db2.gz XPNAQLIZCLWDOI-UHFFFAOYSA-N 1 1 287.432 3.916 20 30 CHEDMO C=CCOc1ccc(CNc2ccc(C)c[nH+]2)cc1OC ZINC000121603573 1118808124 /nfs/dbraw/zinc/80/81/24/1118808124.db2.gz UMWGMNNOAPGDSQ-UHFFFAOYSA-N 1 1 284.359 3.576 20 30 CHEDMO CC[N@@H+](Cc1cccc(OC2CCCC2)c1)C[C@H](C)C#N ZINC000091982678 1118820521 /nfs/dbraw/zinc/82/05/21/1118820521.db2.gz DFEDEJPNXIBXQY-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO CC[N@H+](Cc1cccc(OC2CCCC2)c1)C[C@H](C)C#N ZINC000091982678 1118820523 /nfs/dbraw/zinc/82/05/23/1118820523.db2.gz DFEDEJPNXIBXQY-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO CC[N@@H+](Cc1ccc(OCC(C)C)cc1)C[C@H](C)C#N ZINC000091982995 1118838183 /nfs/dbraw/zinc/83/81/83/1118838183.db2.gz OUUFWJSGHISMLR-OAHLLOKOSA-N 1 1 274.408 3.703 20 30 CHEDMO CC[N@H+](Cc1ccc(OCC(C)C)cc1)C[C@H](C)C#N ZINC000091982995 1118838189 /nfs/dbraw/zinc/83/81/89/1118838189.db2.gz OUUFWJSGHISMLR-OAHLLOKOSA-N 1 1 274.408 3.703 20 30 CHEDMO C=CCC[N@H+](C)Cc1cc(Br)cs1 ZINC000132545567 1118850946 /nfs/dbraw/zinc/85/09/46/1118850946.db2.gz MRNLTESYXDGXBI-UHFFFAOYSA-N 1 1 260.200 3.519 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2csc(C#N)c2)s1 ZINC000891924925 1118852399 /nfs/dbraw/zinc/85/23/99/1118852399.db2.gz XUVAZLZTBNLYIZ-UHFFFAOYSA-N 1 1 262.403 3.622 20 30 CHEDMO Cc1ccc(C[N@H+](C)Cc2csc(C#N)c2)s1 ZINC000891924925 1118852404 /nfs/dbraw/zinc/85/24/04/1118852404.db2.gz XUVAZLZTBNLYIZ-UHFFFAOYSA-N 1 1 262.403 3.622 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000535775497 1118884451 /nfs/dbraw/zinc/88/44/51/1118884451.db2.gz AOVWUJPKHUIFRS-UHFFFAOYSA-N 1 1 297.398 3.892 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610991668 1118916432 /nfs/dbraw/zinc/91/64/32/1118916432.db2.gz BPZPBXLGXLPDMV-OAHLLOKOSA-N 1 1 283.400 3.524 20 30 CHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610991668 1118916433 /nfs/dbraw/zinc/91/64/33/1118916433.db2.gz BPZPBXLGXLPDMV-OAHLLOKOSA-N 1 1 283.400 3.524 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610991657 1118916829 /nfs/dbraw/zinc/91/68/29/1118916829.db2.gz BPZPBXLGXLPDMV-HNNXBMFYSA-N 1 1 283.400 3.524 20 30 CHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610991657 1118916830 /nfs/dbraw/zinc/91/68/30/1118916830.db2.gz BPZPBXLGXLPDMV-HNNXBMFYSA-N 1 1 283.400 3.524 20 30 CHEDMO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnc(C#N)c1 ZINC000610991735 1118917474 /nfs/dbraw/zinc/91/74/74/1118917474.db2.gz XFRVYFCRMUCQFY-UHFFFAOYSA-N 1 1 291.807 3.690 20 30 CHEDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnc(C#N)c1 ZINC000610991735 1118917476 /nfs/dbraw/zinc/91/74/76/1118917476.db2.gz XFRVYFCRMUCQFY-UHFFFAOYSA-N 1 1 291.807 3.690 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000610993685 1118918476 /nfs/dbraw/zinc/91/84/76/1118918476.db2.gz BKOQSRAXPLZTLC-SCLBCKFNSA-N 1 1 295.361 3.675 20 30 CHEDMO N#Cc1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)ccn1 ZINC000610993057 1118919192 /nfs/dbraw/zinc/91/91/92/1118919192.db2.gz BPGNYQOSWYFSAW-IBGZPJMESA-N 1 1 289.382 3.605 20 30 CHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993462 1118919301 /nfs/dbraw/zinc/91/93/01/1118919301.db2.gz TZKBLLSRVTVKFX-IBGZPJMESA-N 1 1 291.398 3.989 20 30 CHEDMO C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000610994467 1118919423 /nfs/dbraw/zinc/91/94/23/1118919423.db2.gz ZTQYKECVHUOFAT-CZUORRHYSA-N 1 1 281.359 3.519 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000610994467 1118919426 /nfs/dbraw/zinc/91/94/26/1118919426.db2.gz ZTQYKECVHUOFAT-CZUORRHYSA-N 1 1 281.359 3.519 20 30 CHEDMO N#Cc1cccc(Cl)c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433805247 1118935716 /nfs/dbraw/zinc/93/57/16/1118935716.db2.gz MABUBXACENWRBO-AWEZNQCLSA-N 1 1 289.810 3.640 20 30 CHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000538396966 1118936600 /nfs/dbraw/zinc/93/66/00/1118936600.db2.gz KIMYYBLZLGATJV-TWMKSMIVSA-N 1 1 299.462 3.575 20 30 CHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000538396966 1118936602 /nfs/dbraw/zinc/93/66/02/1118936602.db2.gz KIMYYBLZLGATJV-TWMKSMIVSA-N 1 1 299.462 3.575 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000157691327 1118991166 /nfs/dbraw/zinc/99/11/66/1118991166.db2.gz NKIKBSXETCROKS-QGZVFWFLSA-N 1 1 284.790 3.857 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000051401087 1118995635 /nfs/dbraw/zinc/99/56/35/1118995635.db2.gz WUPGIRIQIKLESU-UHFFFAOYSA-N 1 1 294.398 3.977 20 30 CHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccccc1C#N ZINC000582096678 1119006863 /nfs/dbraw/zinc/00/68/63/1119006863.db2.gz BCFSEBXFSGXTMT-PBHICJAKSA-N 1 1 256.393 3.959 20 30 CHEDMO C=CCOCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC001167548699 1119012037 /nfs/dbraw/zinc/01/20/37/1119012037.db2.gz FJUOCAOHBRWETN-UHFFFAOYSA-N 1 1 251.414 3.625 20 30 CHEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162933159 1119021401 /nfs/dbraw/zinc/02/14/01/1119021401.db2.gz FKZOTXKHTBJBPZ-CYBMUJFWSA-N 1 1 262.784 3.690 20 30 CHEDMO C=CCCc1ccccc1NCc1c[nH+]c2n1CCC2 ZINC000657459537 1119112265 /nfs/dbraw/zinc/11/22/65/1119112265.db2.gz XFIBSNSNHOZIOJ-UHFFFAOYSA-N 1 1 267.376 3.560 20 30 CHEDMO C=CCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000117879184 1119140775 /nfs/dbraw/zinc/14/07/75/1119140775.db2.gz SADQJASARDKRJX-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000117879184 1119140777 /nfs/dbraw/zinc/14/07/77/1119140777.db2.gz SADQJASARDKRJX-OAHLLOKOSA-N 1 1 265.784 3.680 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000158695485 1119145612 /nfs/dbraw/zinc/14/56/12/1119145612.db2.gz QGDFHSRFKVRZDB-UHFFFAOYSA-N 1 1 256.374 3.642 20 30 CHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000074980895 1119171782 /nfs/dbraw/zinc/17/17/82/1119171782.db2.gz CBQKUFIAMFGIRN-OAHLLOKOSA-N 1 1 278.396 3.609 20 30 CHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000934649129 1119214950 /nfs/dbraw/zinc/21/49/50/1119214950.db2.gz LAUNNANOMJKTAP-GFCCVEGCSA-N 1 1 296.361 3.580 20 30 CHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000934649130 1119215716 /nfs/dbraw/zinc/21/57/16/1119215716.db2.gz LAUNNANOMJKTAP-LBPRGKRZSA-N 1 1 296.361 3.580 20 30 CHEDMO N#Cc1ccc(F)c(CNc2cc[nH+]c3ccsc32)c1 ZINC000078474572 1119226191 /nfs/dbraw/zinc/22/61/91/1119226191.db2.gz AQAKTNDQWLFVGO-UHFFFAOYSA-N 1 1 283.331 3.919 20 30 CHEDMO C#CCCCCCC[N@@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001167632892 1119247423 /nfs/dbraw/zinc/24/74/23/1119247423.db2.gz AVVCHNWXNLKQBN-GOSISDBHSA-N 1 1 285.431 3.896 20 30 CHEDMO C=C(C)[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000187773688 1119263086 /nfs/dbraw/zinc/26/30/86/1119263086.db2.gz UBGVSQNANALHOA-YOEHRIQHSA-N 1 1 294.389 3.656 20 30 CHEDMO N#Cc1c(C[N@H+]2CCC[C@H]2C2CCC2)cn2ccccc12 ZINC000343016617 1119281662 /nfs/dbraw/zinc/28/16/62/1119281662.db2.gz VNTFFDRUVLBJSS-KRWDZBQOSA-N 1 1 279.387 3.575 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCCc3ccccc3CC2)s1 ZINC000449555789 1119289304 /nfs/dbraw/zinc/28/93/04/1119289304.db2.gz IHVZKJFUGSSTKC-UHFFFAOYSA-N 1 1 282.412 3.611 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000052161458 1119309750 /nfs/dbraw/zinc/30/97/50/1119309750.db2.gz RRGBIRGRKCQYJZ-UHFFFAOYSA-N 1 1 280.346 3.862 20 30 CHEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 ZINC000583292008 1119336758 /nfs/dbraw/zinc/33/67/58/1119336758.db2.gz PRZHIYDIKPQBGN-OAHLLOKOSA-N 1 1 280.456 3.986 20 30 CHEDMO C=C(CC)C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000583338183 1119342478 /nfs/dbraw/zinc/34/24/78/1119342478.db2.gz DSKZHFNZBRNVAZ-NVXWUHKLSA-N 1 1 259.393 3.723 20 30 CHEDMO CC#CCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000156757502 1119370368 /nfs/dbraw/zinc/37/03/68/1119370368.db2.gz HAVKVCQJMXQBFF-UHFFFAOYSA-N 1 1 293.414 3.509 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)C(C)(C)C ZINC000561781555 1119379190 /nfs/dbraw/zinc/37/91/90/1119379190.db2.gz AUCUCQDFLFDSOQ-GFCCVEGCSA-N 1 1 287.856 3.797 20 30 CHEDMO CCOC1CC2(C1)CC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000375741107 1119393690 /nfs/dbraw/zinc/39/36/90/1119393690.db2.gz CGRJPZRXVHMKQJ-UHFFFAOYSA-N 1 1 278.440 3.597 20 30 CHEDMO CC(C)(C#N)CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000157444247 1119397764 /nfs/dbraw/zinc/39/77/64/1119397764.db2.gz FAAHXMNNQJQLLS-CQSZACIVSA-N 1 1 292.448 3.669 20 30 CHEDMO C[C@@H](CC#N)[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000129693824 1119399692 /nfs/dbraw/zinc/39/96/92/1119399692.db2.gz UWDLWXODOMKIHK-LBPRGKRZSA-N 1 1 250.773 3.507 20 30 CHEDMO C=CCCCCC[N@@H+]1CCC2(CC(OCC)C2)C1 ZINC000375741988 1119418570 /nfs/dbraw/zinc/41/85/70/1119418570.db2.gz KDOQIKBLZWIVDL-UHFFFAOYSA-N 1 1 251.414 3.624 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)o1 ZINC000343480190 1119430583 /nfs/dbraw/zinc/43/05/83/1119430583.db2.gz RCSUDTCDGPPHPL-AWEZNQCLSA-N 1 1 294.276 3.935 20 30 CHEDMO COc1ccc([C@@H]2CCCCC[N@H+]2CCCC#N)cc1 ZINC000052711766 1119441310 /nfs/dbraw/zinc/44/13/10/1119441310.db2.gz DWKUNUAJVZGOJM-KRWDZBQOSA-N 1 1 272.392 3.916 20 30 CHEDMO CC(C)COc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343578105 1119459433 /nfs/dbraw/zinc/45/94/33/1119459433.db2.gz DCGXEQIPRBWNPF-CQSZACIVSA-N 1 1 272.392 3.676 20 30 CHEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000343582540 1119461768 /nfs/dbraw/zinc/46/17/68/1119461768.db2.gz PWZKQPBQNJZIME-CQSZACIVSA-N 1 1 264.319 3.555 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000248262000 1119462632 /nfs/dbraw/zinc/46/26/32/1119462632.db2.gz WLIZJXBJRWGRSQ-UHFFFAOYSA-N 1 1 291.782 3.788 20 30 CHEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000248262000 1119462630 /nfs/dbraw/zinc/46/26/30/1119462630.db2.gz WLIZJXBJRWGRSQ-UHFFFAOYSA-N 1 1 291.782 3.788 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CC12CCC2 ZINC000343719582 1119494159 /nfs/dbraw/zinc/49/41/59/1119494159.db2.gz DXZAAFOWKXKJHP-OAHLLOKOSA-N 1 1 268.404 3.765 20 30 CHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001212324916 1128850448 /nfs/dbraw/zinc/85/04/48/1128850448.db2.gz CDGCIAHMKCJPRI-ZDUSSCGKSA-N 1 1 289.766 3.502 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000378830466 1119563057 /nfs/dbraw/zinc/56/30/57/1119563057.db2.gz JRPXESFMILUKRB-HOTGVXAUSA-N 1 1 284.403 3.577 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000628406445 1128856496 /nfs/dbraw/zinc/85/64/96/1128856496.db2.gz JTFGEVIBLNQRDF-LBPRGKRZSA-N 1 1 273.405 3.536 20 30 CHEDMO C[C@@H](C1CC1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177267555 1119631585 /nfs/dbraw/zinc/63/15/85/1119631585.db2.gz XXAAIDHNHSBQOD-LBPRGKRZSA-N 1 1 281.321 3.787 20 30 CHEDMO Cc1[nH+]c2ccccc2c(N2CCC[C@](C)(C#N)C2)c1C ZINC000612108313 1119700759 /nfs/dbraw/zinc/70/07/59/1119700759.db2.gz HSVHNUUXCYGCIG-GOSISDBHSA-N 1 1 279.387 3.982 20 30 CHEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000612162469 1119739149 /nfs/dbraw/zinc/73/91/49/1119739149.db2.gz MICPYKVEKVETAV-CQSZACIVSA-N 1 1 282.309 3.831 20 30 CHEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000612162469 1119739153 /nfs/dbraw/zinc/73/91/53/1119739153.db2.gz MICPYKVEKVETAV-CQSZACIVSA-N 1 1 282.309 3.831 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000612167078 1119740437 /nfs/dbraw/zinc/74/04/37/1119740437.db2.gz UMVHNGVQBHKQEA-IRXDYDNUSA-N 1 1 272.367 3.829 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000612167078 1119740438 /nfs/dbraw/zinc/74/04/38/1119740438.db2.gz UMVHNGVQBHKQEA-IRXDYDNUSA-N 1 1 272.367 3.829 20 30 CHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000612586588 1119803594 /nfs/dbraw/zinc/80/35/94/1119803594.db2.gz RYQHUURZSNVZJX-OAHLLOKOSA-N 1 1 279.387 3.704 20 30 CHEDMO CC[C@@H]([NH2+]Cc1cccs1)c1cccc(C#N)c1O ZINC000924557795 1119828651 /nfs/dbraw/zinc/82/86/51/1119828651.db2.gz RTXMWIALOAAXGA-CQSZACIVSA-N 1 1 272.373 3.566 20 30 CHEDMO CC(C)(C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000180057412 1119842799 /nfs/dbraw/zinc/84/27/99/1119842799.db2.gz HRJCFDIQFCRXQC-UHFFFAOYSA-N 1 1 256.393 3.590 20 30 CHEDMO CC(C)CCC(N)=[NH+]OCc1coc(-c2cccs2)n1 ZINC000066374426 1119875030 /nfs/dbraw/zinc/87/50/30/1119875030.db2.gz UJMGTTHPSGECFL-UHFFFAOYSA-N 1 1 293.392 3.628 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000661386890 1119881629 /nfs/dbraw/zinc/88/16/29/1119881629.db2.gz VSNSTERQBOHEJI-LBPRGKRZSA-N 1 1 284.325 3.889 20 30 CHEDMO CC(C)[C@H]1[N@@H+](C[C@@H](C#N)CCC#N)CC12CCCCC2 ZINC000414133195 1119910706 /nfs/dbraw/zinc/91/07/06/1119910706.db2.gz BPDVMUXFRHOZFN-HZPDHXFCSA-N 1 1 273.424 3.721 20 30 CHEDMO CC(C)c1nc([C@@H](C)[NH2+]CC(C)(C)CC#N)cs1 ZINC000414165071 1119923183 /nfs/dbraw/zinc/92/31/83/1119923183.db2.gz LDKOPTCHJSXYPU-LLVKDONJSA-N 1 1 265.426 3.857 20 30 CHEDMO C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000309437065 1119941342 /nfs/dbraw/zinc/94/13/42/1119941342.db2.gz HONXCTUWKCOJOV-YUMQZZPRSA-N 1 1 280.220 3.907 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000472572264 1119962928 /nfs/dbraw/zinc/96/29/28/1119962928.db2.gz AHZASYNWHZWMHD-ZWKOTPCHSA-N 1 1 275.436 3.575 20 30 CHEDMO CC[N@@H+](CCCCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000102397492 1119965203 /nfs/dbraw/zinc/96/52/03/1119965203.db2.gz YNWJSGKSDAYVQW-CQSZACIVSA-N 1 1 255.365 3.635 20 30 CHEDMO C=CCCCCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000472576937 1119968693 /nfs/dbraw/zinc/96/86/93/1119968693.db2.gz BFZFMAQOOHIBKI-INIZCTEOSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCCCCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000472576937 1119968696 /nfs/dbraw/zinc/96/86/96/1119968696.db2.gz BFZFMAQOOHIBKI-INIZCTEOSA-N 1 1 252.446 3.539 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000472586304 1119983387 /nfs/dbraw/zinc/98/33/87/1119983387.db2.gz OKBROQRPCGJGBR-SJORKVTESA-N 1 1 277.383 3.680 20 30 CHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186309830 1120019708 /nfs/dbraw/zinc/01/97/08/1120019708.db2.gz UXPXXDXKHLGORP-MRXNPFEDSA-N 1 1 274.433 3.584 20 30 CHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCCC#N)C1(CC)CC ZINC000177404766 1120035769 /nfs/dbraw/zinc/03/57/69/1120035769.db2.gz PIVGGGXDDPOBTM-GJZGRUSLSA-N 1 1 266.429 3.596 20 30 CHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC#Cc2ccccc2)C1 ZINC000376559288 1120049458 /nfs/dbraw/zinc/04/94/58/1120049458.db2.gz UKPAHPLFPLLHLS-APWZRJJASA-N 1 1 276.383 3.516 20 30 CHEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C)oc2C)CCCC1(C)C ZINC000660423501 1120054216 /nfs/dbraw/zinc/05/42/16/1120054216.db2.gz RRSLJDAPTDJSMZ-HNNXBMFYSA-N 1 1 262.397 3.858 20 30 CHEDMO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc[nH+]c1N ZINC001212400267 1120056496 /nfs/dbraw/zinc/05/64/96/1120056496.db2.gz UWDMXSJSQACZTG-UHFFFAOYSA-N 1 1 279.130 3.586 20 30 CHEDMO C=C(C)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000613565511 1120063812 /nfs/dbraw/zinc/06/38/12/1120063812.db2.gz ATRCTWKHYHBGNG-UHFFFAOYSA-N 1 1 253.773 3.617 20 30 CHEDMO COc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)ccc1SC ZINC000903099997 1120067843 /nfs/dbraw/zinc/06/78/43/1120067843.db2.gz FKIBRYIRMNZSDM-LLVKDONJSA-N 1 1 278.421 3.617 20 30 CHEDMO COc1ccc([C@@H]([NH2+]CC(C)(C)C#N)C(C)C)c(F)c1 ZINC000903102315 1120069842 /nfs/dbraw/zinc/06/98/42/1120069842.db2.gz WALSGQTWMCZOIN-HNNXBMFYSA-N 1 1 278.371 3.671 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000122231528 1120075038 /nfs/dbraw/zinc/07/50/38/1120075038.db2.gz UOHTXKWHQDRCEM-SNVBAGLBSA-N 1 1 270.298 3.906 20 30 CHEDMO N#Cc1ccc(-c2ccccc2Nc2ccc[nH+]c2N)cc1 ZINC001212408743 1120078493 /nfs/dbraw/zinc/07/84/93/1120078493.db2.gz LENTXOJZNWABBZ-UHFFFAOYSA-N 1 1 286.338 3.946 20 30 CHEDMO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc[nH+]c1N ZINC001212408984 1120078607 /nfs/dbraw/zinc/07/86/07/1120078607.db2.gz XDYXSIDGTMPGKE-UHFFFAOYSA-N 1 1 279.130 3.586 20 30 CHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2cccc(F)c2C#N)C1 ZINC000301108380 1120130320 /nfs/dbraw/zinc/13/03/20/1120130320.db2.gz QSHFCVNKLBPBRK-CQSZACIVSA-N 1 1 289.398 3.621 20 30 CHEDMO C=C(Cl)C[N@H+](CCCC)Cc1ccccc1O ZINC000801595920 1128892661 /nfs/dbraw/zinc/89/26/61/1128892661.db2.gz VIZRXTUOHQZWSM-UHFFFAOYSA-N 1 1 253.773 3.747 20 30 CHEDMO CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc(C)cs1 ZINC000921697122 1120137741 /nfs/dbraw/zinc/13/77/41/1120137741.db2.gz ARIZGYDYDWMYNI-GFCCVEGCSA-N 1 1 277.418 3.626 20 30 CHEDMO C[C@@H](CC(C)(C)C#N)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000924604213 1120140538 /nfs/dbraw/zinc/14/05/38/1120140538.db2.gz LVXNFYDNMHGINP-FUHWJXTLSA-N 1 1 299.462 3.741 20 30 CHEDMO CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166044 /nfs/dbraw/zinc/16/60/44/1120166044.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 1 1 299.462 3.645 20 30 CHEDMO CCC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166046 /nfs/dbraw/zinc/16/60/46/1120166046.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 1 1 299.462 3.645 20 30 CHEDMO CCCN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166048 /nfs/dbraw/zinc/16/60/48/1120166048.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 1 1 299.462 3.645 20 30 CHEDMO CCCN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166050 /nfs/dbraw/zinc/16/60/50/1120166050.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 1 1 299.462 3.645 20 30 CHEDMO CCC[N@H+](CC[C@H]1CCCCN1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166052 /nfs/dbraw/zinc/16/60/52/1120166052.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 1 1 299.462 3.645 20 30 CHEDMO CCC[N@@H+](CC[C@H]1CCCCN1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166055 /nfs/dbraw/zinc/16/60/55/1120166055.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 1 1 299.462 3.645 20 30 CHEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000472778073 1120172911 /nfs/dbraw/zinc/17/29/11/1120172911.db2.gz MHKUYFUNFDJSSY-SJORKVTESA-N 1 1 261.409 3.787 20 30 CHEDMO CCC(CC)C[N@@H+](CC)Cc1ccc(C#N)s1 ZINC000508674242 1120172920 /nfs/dbraw/zinc/17/29/20/1120172920.db2.gz YIWWDJXMKRSXDP-UHFFFAOYSA-N 1 1 250.411 3.878 20 30 CHEDMO C=CC[N@H+](Cc1cccc2c[nH]nc21)Cc1ccccc1F ZINC000511527159 1120189320 /nfs/dbraw/zinc/18/93/20/1120189320.db2.gz UMKOHQGXRQRDEC-UHFFFAOYSA-N 1 1 295.361 3.890 20 30 CHEDMO C=CC[N@@H+](Cc1cccc2c[nH]nc21)Cc1ccccc1F ZINC000511527159 1120189323 /nfs/dbraw/zinc/18/93/23/1120189323.db2.gz UMKOHQGXRQRDEC-UHFFFAOYSA-N 1 1 295.361 3.890 20 30 CHEDMO Cc1nc(C[NH2+]Cc2c(C)cc(C#N)cc2C)sc1C ZINC000921803456 1120220260 /nfs/dbraw/zinc/22/02/60/1120220260.db2.gz QVQOELVKRAAOLD-UHFFFAOYSA-N 1 1 285.416 3.538 20 30 CHEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCCC#N)C1(C)C ZINC000177736987 1120221980 /nfs/dbraw/zinc/22/19/80/1120221980.db2.gz BSXXBDHKAGBPCM-CABCVRRESA-N 1 1 266.429 3.596 20 30 CHEDMO C[C@H](CNc1cccc(Cl)c1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000603857273 1120240880 /nfs/dbraw/zinc/24/08/80/1120240880.db2.gz HKQBHSSBJAMOJF-QWHCGFSZSA-N 1 1 291.826 3.744 20 30 CHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000341224765 1120246436 /nfs/dbraw/zinc/24/64/36/1120246436.db2.gz PSAONJQXZGJKCU-HOCLYGCPSA-N 1 1 281.403 3.821 20 30 CHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000076069625 1120275637 /nfs/dbraw/zinc/27/56/37/1120275637.db2.gz PWVWTDCGTSMSFI-HZPDHXFCSA-N 1 1 274.433 3.664 20 30 CHEDMO COCC[N@@H+](CCCCC#N)Cc1ccc(F)cc1Cl ZINC000107372500 1120290763 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N#CC1(CCCC[N@@H+]2CC[C@]3(CC3(F)F)C2)CCC1 ZINC000930865794 1120455378 /nfs/dbraw/zinc/45/53/78/1120455378.db2.gz GSEFDYKYXWZVJF-AWEZNQCLSA-N 1 1 268.351 3.582 20 30 CHEDMO N#CCc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000543192916 1120457390 /nfs/dbraw/zinc/45/73/90/1120457390.db2.gz VUBUEVCGHROSDB-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO N#CCc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000543192916 1120457392 /nfs/dbraw/zinc/45/73/92/1120457392.db2.gz VUBUEVCGHROSDB-UHFFFAOYSA-N 1 1 296.801 3.964 20 30 CHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766715 1120483565 /nfs/dbraw/zinc/48/35/65/1120483565.db2.gz MPLCJZQBFXCEDZ-LBPRGKRZSA-N 1 1 285.778 3.800 20 30 CHEDMO CC(C)(C)c1ccc(C[NH2+]Cc2csc(C#N)c2)o1 ZINC000922318891 1120508830 /nfs/dbraw/zinc/50/88/30/1120508830.db2.gz UHTQNTSRLFUVRM-UHFFFAOYSA-N 1 1 274.389 3.800 20 30 CHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ccccc2O)cc1 ZINC000543410707 1120514028 /nfs/dbraw/zinc/51/40/28/1120514028.db2.gz USVYFODREMORMT-UHFFFAOYSA-N 1 1 297.398 3.632 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093531649 1120562116 /nfs/dbraw/zinc/56/21/16/1120562116.db2.gz GOPJBTQEKWBFSN-PXAZEXFGSA-N 1 1 284.334 3.873 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093531649 1120562121 /nfs/dbraw/zinc/56/21/21/1120562121.db2.gz GOPJBTQEKWBFSN-PXAZEXFGSA-N 1 1 284.334 3.873 20 30 CHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093562982 1120562664 /nfs/dbraw/zinc/56/26/64/1120562664.db2.gz YNUXIHSGYLXISQ-HUUCEWRRSA-N 1 1 280.371 3.838 20 30 CHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)ccc1OC ZINC000922620351 1120564238 /nfs/dbraw/zinc/56/42/38/1120564238.db2.gz ACPKRKNHVJEMEU-HNNXBMFYSA-N 1 1 288.322 3.540 20 30 CHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)ccc1OC ZINC000922620352 1120564641 /nfs/dbraw/zinc/56/46/41/1120564641.db2.gz ACPKRKNHVJEMEU-OAHLLOKOSA-N 1 1 288.322 3.540 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1cccc(F)c1 ZINC000093735849 1120565262 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20 30 CHEDMO C=CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429157520 1120690453 /nfs/dbraw/zinc/69/04/53/1120690453.db2.gz VKMGFIDABYCMDG-ZDUSSCGKSA-N 1 1 253.798 3.692 20 30 CHEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162865559 1120694927 /nfs/dbraw/zinc/69/49/27/1120694927.db2.gz ZWGXNDZVLAEONR-NSHDSACASA-N 1 1 250.773 3.690 20 30 CHEDMO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000162874625 1120695692 /nfs/dbraw/zinc/69/56/92/1120695692.db2.gz RFBGOZNXCZITJC-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000162874625 1120695693 /nfs/dbraw/zinc/69/56/93/1120695693.db2.gz RFBGOZNXCZITJC-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162935775 1120697138 /nfs/dbraw/zinc/69/71/38/1120697138.db2.gz QOXWJRFHHIGNME-MNOVXSKESA-N 1 1 280.824 3.537 20 30 CHEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162935775 1120697139 /nfs/dbraw/zinc/69/71/39/1120697139.db2.gz QOXWJRFHHIGNME-MNOVXSKESA-N 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C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([C@H](C)OCC)n1 ZINC000662084309 1120873121 /nfs/dbraw/zinc/87/31/21/1120873121.db2.gz QIXNEBXODKZHNU-AEGPPILISA-N 1 1 292.448 3.924 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc([C@H](C)OCC)n1 ZINC000662084309 1120873122 /nfs/dbraw/zinc/87/31/22/1120873122.db2.gz QIXNEBXODKZHNU-AEGPPILISA-N 1 1 292.448 3.924 20 30 CHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000662090410 1120873604 /nfs/dbraw/zinc/87/36/04/1120873604.db2.gz OOWVNAASUANNPK-FJIDUMEYSA-N 1 1 253.389 3.973 20 30 CHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000618887220 1128948249 /nfs/dbraw/zinc/94/82/49/1128948249.db2.gz MHANKASQMQVERH-RHSMWYFYSA-N 1 1 296.418 3.650 20 30 CHEDMO Cc1ccoc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872384 1120891869 /nfs/dbraw/zinc/89/18/69/1120891869.db2.gz XVLVAWRTXBRDPG-DLBZAZTESA-N 1 1 280.371 3.860 20 30 CHEDMO Cc1ccoc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872384 1120891872 /nfs/dbraw/zinc/89/18/72/1120891872.db2.gz XVLVAWRTXBRDPG-DLBZAZTESA-N 1 1 280.371 3.860 20 30 CHEDMO CCOc1ccc(CCC2CC[NH+](CCC#N)CC2)cc1 ZINC000053907405 1120936342 /nfs/dbraw/zinc/93/63/42/1120936342.db2.gz LQSNZPJPXQETSP-UHFFFAOYSA-N 1 1 286.419 3.644 20 30 CHEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C(C)(C)C ZINC000602874105 1120945668 /nfs/dbraw/zinc/94/56/68/1120945668.db2.gz NIHPGGQOJVJSDJ-MRXNPFEDSA-N 1 1 291.483 3.513 20 30 CHEDMO C[N@@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C(C)(C)C ZINC000602874105 1120945671 /nfs/dbraw/zinc/94/56/71/1120945671.db2.gz NIHPGGQOJVJSDJ-MRXNPFEDSA-N 1 1 291.483 3.513 20 30 CHEDMO C[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C(C)(C)C ZINC000602874105 1120945674 /nfs/dbraw/zinc/94/56/74/1120945674.db2.gz NIHPGGQOJVJSDJ-MRXNPFEDSA-N 1 1 291.483 3.513 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000343919299 1120964365 /nfs/dbraw/zinc/96/43/65/1120964365.db2.gz CCCMLJOKSBUQGO-KRWDZBQOSA-N 1 1 281.403 3.821 20 30 CHEDMO C=CCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000133064617 1121020336 /nfs/dbraw/zinc/02/03/36/1121020336.db2.gz KNDWASDWPTWQDW-IUODEOHRSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000133064617 1121020344 /nfs/dbraw/zinc/02/03/44/1121020344.db2.gz KNDWASDWPTWQDW-IUODEOHRSA-N 1 1 265.784 3.678 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000191865546 1128958402 /nfs/dbraw/zinc/95/84/02/1128958402.db2.gz VJJDKLVHXZQILK-CYBMUJFWSA-N 1 1 298.361 3.899 20 30 CHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H]1CC=CCC1 ZINC000344031191 1121057388 /nfs/dbraw/zinc/05/73/88/1121057388.db2.gz COYMGRWGXUCCQF-HNNXBMFYSA-N 1 1 279.387 3.599 20 30 CHEDMO C=CC[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000625701026 1121060344 /nfs/dbraw/zinc/06/03/44/1121060344.db2.gz GIJSDOUVHQZOMR-ZDUSSCGKSA-N 1 1 272.417 3.737 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000625700239 1121060370 /nfs/dbraw/zinc/06/03/70/1121060370.db2.gz AQLIFKJKCHOPFR-OAHLLOKOSA-N 1 1 279.387 3.542 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000625703203 1121063558 /nfs/dbraw/zinc/06/35/58/1121063558.db2.gz MFRJJGSUYYGNDL-CYBMUJFWSA-N 1 1 292.810 3.567 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000625704891 1121065319 /nfs/dbraw/zinc/06/53/19/1121065319.db2.gz VPZGGRYOGUDVTH-CYBMUJFWSA-N 1 1 285.416 3.603 20 30 CHEDMO C=CC[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC001174891655 1121081677 /nfs/dbraw/zinc/08/16/77/1121081677.db2.gz UORUQNXCTJZUPE-LBPRGKRZSA-N 1 1 267.775 3.920 20 30 CHEDMO C[C@@]1(F)CCC[N@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687427 1121089691 /nfs/dbraw/zinc/08/96/91/1121089691.db2.gz QXJUPYWXWVUIMV-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO C[C@@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687427 1121089698 /nfs/dbraw/zinc/08/96/98/1121089698.db2.gz QXJUPYWXWVUIMV-OAHLLOKOSA-N 1 1 280.774 3.926 20 30 CHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000674250301 1121105863 /nfs/dbraw/zinc/10/58/63/1121105863.db2.gz ZLMLAKSORQLYMA-MRXNPFEDSA-N 1 1 259.780 3.566 20 30 CHEDMO C(#Cc1ccccc1)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000191963759 1128963315 /nfs/dbraw/zinc/96/33/15/1128963315.db2.gz KTOMPFQKQHXGOU-UHFFFAOYSA-N 1 1 291.394 3.582 20 30 CHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000076067574 1121141954 /nfs/dbraw/zinc/14/19/54/1121141954.db2.gz XKHCUNFYWGIJDY-GJZGRUSLSA-N 1 1 292.423 3.803 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000172852883 1121164911 /nfs/dbraw/zinc/16/49/11/1121164911.db2.gz XLJXEIOTQWJLIJ-IBGZPJMESA-N 1 1 276.383 3.623 20 30 CHEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001203422904 1121169310 /nfs/dbraw/zinc/16/93/10/1121169310.db2.gz JOVWLJRBRYCPJE-LLVKDONJSA-N 1 1 268.187 3.839 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001203422904 1121169311 /nfs/dbraw/zinc/16/93/11/1121169311.db2.gz JOVWLJRBRYCPJE-LLVKDONJSA-N 1 1 268.187 3.839 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000512193247 1121176325 /nfs/dbraw/zinc/17/63/25/1121176325.db2.gz GWSHMCKUTLHTJR-NJAFHUGGSA-N 1 1 273.420 3.787 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512193245 1121177257 /nfs/dbraw/zinc/17/72/57/1121177257.db2.gz GWSHMCKUTLHTJR-BPQIPLTHSA-N 1 1 273.420 3.787 20 30 CHEDMO CCCCCCC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001175094986 1121184606 /nfs/dbraw/zinc/18/46/06/1121184606.db2.gz AFDUOEFJGQKIIP-QGZVFWFLSA-N 1 1 289.419 3.729 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931934714 1121198085 /nfs/dbraw/zinc/19/80/85/1121198085.db2.gz YCMZKDIQYOEOIG-FUHWJXTLSA-N 1 1 268.404 3.590 20 30 CHEDMO C=C(C)C[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC000512212192 1121200337 /nfs/dbraw/zinc/20/03/37/1121200337.db2.gz KISZKWZERZZBCJ-GDNBJRDFSA-N 1 1 259.393 3.744 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1csc(Br)c1 ZINC000067461303 1121206348 /nfs/dbraw/zinc/20/63/48/1121206348.db2.gz BNVRVWVZWMJFFK-UHFFFAOYSA-N 1 1 260.200 3.519 20 30 CHEDMO C[N@@H+](CCCCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC001175249628 1121247275 /nfs/dbraw/zinc/24/72/75/1121247275.db2.gz HIWVACQOVCMBGD-SJORKVTESA-N 1 1 256.393 3.633 20 30 CHEDMO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000112543456 1121256409 /nfs/dbraw/zinc/25/64/09/1121256409.db2.gz GYYPONFHVVVXLW-ZIAGYGMSSA-N 1 1 287.432 3.893 20 30 CHEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1CC(C)C ZINC001167896822 1121256762 /nfs/dbraw/zinc/25/67/62/1121256762.db2.gz BMGPKDSZIWQDLC-LBPRGKRZSA-N 1 1 260.219 3.796 20 30 CHEDMO CCCO[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000246319512 1121292352 /nfs/dbraw/zinc/29/23/52/1121292352.db2.gz HBOZKAYRFZJDBY-QAPCUYQASA-N 1 1 286.419 3.900 20 30 CHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000042299067 1121299086 /nfs/dbraw/zinc/29/90/86/1121299086.db2.gz AMPNNZPEVWCAPL-UHFFFAOYSA-N 1 1 286.400 3.521 20 30 CHEDMO CSc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000042365516 1121301900 /nfs/dbraw/zinc/30/19/00/1121301900.db2.gz YAXSTBRUWNFLBX-UHFFFAOYSA-N 1 1 282.412 3.912 20 30 CHEDMO C[C@@H]([N@@H+](C)CCCOc1cccc(C#N)c1)C(C)(C)C ZINC000042763973 1121316445 /nfs/dbraw/zinc/31/64/45/1121316445.db2.gz YIDVDPXLKLRQLU-CQSZACIVSA-N 1 1 274.408 3.694 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)c1F ZINC000512457821 1121358757 /nfs/dbraw/zinc/35/87/57/1121358757.db2.gz WASDTWRPDBXOFM-WWGRRREGSA-N 1 1 272.367 3.850 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000932156290 1121363696 /nfs/dbraw/zinc/36/36/96/1121363696.db2.gz ABFPWLIYEMJKFW-HNNXBMFYSA-N 1 1 250.345 3.575 20 30 CHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000932156290 1121363704 /nfs/dbraw/zinc/36/37/04/1121363704.db2.gz ABFPWLIYEMJKFW-HNNXBMFYSA-N 1 1 250.345 3.575 20 30 CHEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001175532894 1121370964 /nfs/dbraw/zinc/37/09/64/1121370964.db2.gz QWYQKSMNYJTJKH-CRAIPNDOSA-N 1 1 270.420 3.859 20 30 CHEDMO CCC#C[C@@H](C)[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175586552 1121373202 /nfs/dbraw/zinc/37/32/02/1121373202.db2.gz GTQLQRGXNZIPFN-GFCCVEGCSA-N 1 1 261.796 3.808 20 30 CHEDMO CCC#C[C@@H](C)[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175586552 1121373210 /nfs/dbraw/zinc/37/32/10/1121373210.db2.gz GTQLQRGXNZIPFN-GFCCVEGCSA-N 1 1 261.796 3.808 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000419202389 1121415631 /nfs/dbraw/zinc/41/56/31/1121415631.db2.gz DJALPLKDLZFDCM-RBUKOAKNSA-N 1 1 298.430 3.575 20 30 CHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC1CCC1 ZINC000419202389 1121415634 /nfs/dbraw/zinc/41/56/34/1121415634.db2.gz DJALPLKDLZFDCM-RBUKOAKNSA-N 1 1 298.430 3.575 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000419202391 1121415828 /nfs/dbraw/zinc/41/58/28/1121415828.db2.gz DJALPLKDLZFDCM-RTBURBONSA-N 1 1 298.430 3.575 20 30 CHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC1CCC1 ZINC000419202391 1121415831 /nfs/dbraw/zinc/41/58/31/1121415831.db2.gz DJALPLKDLZFDCM-RTBURBONSA-N 1 1 298.430 3.575 20 30 CHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C)cn2)cc1 ZINC000676508396 1121438849 /nfs/dbraw/zinc/43/88/49/1121438849.db2.gz VTBVHEFLWZUSHG-UHFFFAOYSA-N 1 1 282.387 3.587 20 30 CHEDMO Cc1coc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000893928849 1121441396 /nfs/dbraw/zinc/44/13/96/1121441396.db2.gz GJHCHYPAYPFTGZ-UHFFFAOYSA-N 1 1 266.344 3.624 20 30 CHEDMO C=CCOCC[N@H+](C)CCc1cccc2ccccc21 ZINC000549806886 1121452481 /nfs/dbraw/zinc/45/24/81/1121452481.db2.gz YJADZELDKIVJGW-UHFFFAOYSA-N 1 1 269.388 3.517 20 30 CHEDMO C#C[C@@H](C)[N@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894060591 1121463202 /nfs/dbraw/zinc/46/32/02/1121463202.db2.gz VWYAFFQQGOOAIA-LLVKDONJSA-N 1 1 294.420 3.549 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894060591 1121463205 /nfs/dbraw/zinc/46/32/05/1121463205.db2.gz VWYAFFQQGOOAIA-LLVKDONJSA-N 1 1 294.420 3.549 20 30 CHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000709578593 1121470662 /nfs/dbraw/zinc/47/06/62/1121470662.db2.gz ZUCRHFXGAREKRA-SNPRPXQTSA-N 1 1 259.397 3.512 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1C ZINC000428736464 1121474351 /nfs/dbraw/zinc/47/43/51/1121474351.db2.gz HPEKBERBJGIPRE-UHFFFAOYSA-N 1 1 282.362 3.946 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428739943 1121496670 /nfs/dbraw/zinc/49/66/70/1121496670.db2.gz SNMAGLFWUKNHKH-BYCMXARLSA-N 1 1 276.330 3.596 20 30 CHEDMO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC000614159935 1121497272 /nfs/dbraw/zinc/49/72/72/1121497272.db2.gz YFTKURQGGTUAER-UHFFFAOYSA-N 1 1 288.435 3.592 20 30 CHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H]1C ZINC000614167921 1121499763 /nfs/dbraw/zinc/49/97/63/1121499763.db2.gz AKIDSPSGRANOJH-UONOGXRCSA-N 1 1 288.460 3.814 20 30 CHEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614171159 1121503511 /nfs/dbraw/zinc/50/35/11/1121503511.db2.gz DPLNHHRTTQXZRH-INIZCTEOSA-N 1 1 270.420 3.966 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000509279251 1121506831 /nfs/dbraw/zinc/50/68/31/1121506831.db2.gz NDKJALRRNNDHMH-QGZVFWFLSA-N 1 1 259.393 3.971 20 30 CHEDMO CCc1cccc(F)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000619426293 1128990987 /nfs/dbraw/zinc/99/09/87/1128990987.db2.gz PVLCCUWTKFWAFO-UHFFFAOYSA-N 1 1 286.325 3.689 20 30 CHEDMO C[N@@H+](CCSCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000433029495 1121525294 /nfs/dbraw/zinc/52/52/94/1121525294.db2.gz SGBJFWMJIJWUHK-UHFFFAOYSA-N 1 1 296.439 3.923 20 30 CHEDMO Cc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)o1 ZINC000411149838 1121527235 /nfs/dbraw/zinc/52/72/35/1121527235.db2.gz SVMJAVLHUGOCTC-UHFFFAOYSA-N 1 1 260.381 3.884 20 30 CHEDMO C=CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000543621592 1121528863 /nfs/dbraw/zinc/52/88/63/1121528863.db2.gz VKVCGXOMPFVIMC-UHFFFAOYSA-N 1 1 273.273 3.995 20 30 CHEDMO C[C@@H](CCC#N)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000411227157 1121542739 /nfs/dbraw/zinc/54/27/39/1121542739.db2.gz MJCHXLBOKKGPME-HNNXBMFYSA-N 1 1 296.418 3.633 20 30 CHEDMO C#CC[C@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC001176068946 1121546682 /nfs/dbraw/zinc/54/66/82/1121546682.db2.gz FVLKCLIMDZFKSJ-AWEZNQCLSA-N 1 1 286.806 3.640 20 30 CHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2CC(C)C)C1 ZINC001176069442 1121547020 /nfs/dbraw/zinc/54/70/20/1121547020.db2.gz IRRPIWXYBWOQTR-MRXNPFEDSA-N 1 1 255.405 3.730 20 30 CHEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+](C2CCC2)C1 ZINC000429396543 1121562023 /nfs/dbraw/zinc/56/20/23/1121562023.db2.gz BVVFRNYEURQWRM-MRXNPFEDSA-N 1 1 291.483 3.513 20 30 CHEDMO C[C@H]1CN(C2CCC2)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000429396543 1121562028 /nfs/dbraw/zinc/56/20/28/1121562028.db2.gz BVVFRNYEURQWRM-MRXNPFEDSA-N 1 1 291.483 3.513 20 30 CHEDMO C[C@H]1CN(C2CCC2)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000429396543 1121562032 /nfs/dbraw/zinc/56/20/32/1121562032.db2.gz BVVFRNYEURQWRM-MRXNPFEDSA-N 1 1 291.483 3.513 20 30 CHEDMO N#Cc1cc(F)ccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC001176217922 1121576785 /nfs/dbraw/zinc/57/67/85/1121576785.db2.gz KWYIEGSOCIFJBY-KRWDZBQOSA-N 1 1 284.309 3.614 20 30 CHEDMO CC(C)C[N@@H+](CCCSCC#N)CCc1ccccc1 ZINC000466730723 1121581015 /nfs/dbraw/zinc/58/10/15/1121581015.db2.gz VCEIXMPMDHYRSB-UHFFFAOYSA-N 1 1 290.476 3.834 20 30 CHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCCSCC#N ZINC000466744091 1121594577 /nfs/dbraw/zinc/59/45/77/1121594577.db2.gz PMAJIEWPPWHRNK-QGZVFWFLSA-N 1 1 288.460 3.649 20 30 CHEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000509815216 1121618529 /nfs/dbraw/zinc/61/85/29/1121618529.db2.gz QXHBDPDGHVONEH-HNNXBMFYSA-N 1 1 264.372 3.945 20 30 CHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000509815216 1121618534 /nfs/dbraw/zinc/61/85/34/1121618534.db2.gz QXHBDPDGHVONEH-HNNXBMFYSA-N 1 1 264.372 3.945 20 30 CHEDMO N#Cc1ccc2ncc(C[N@@H+](C3CC3)C3CCCCC3)n2c1 ZINC000611254884 1121632536 /nfs/dbraw/zinc/63/25/36/1121632536.db2.gz WWOWMNHPMIXWFO-UHFFFAOYSA-N 1 1 294.402 3.503 20 30 CHEDMO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@@H]1CCCc2ccccc21 ZINC001176454045 1121633513 /nfs/dbraw/zinc/63/35/13/1121633513.db2.gz YJZLLHWLUXKEBY-VDZJLULYSA-N 1 1 283.415 3.567 20 30 CHEDMO C=C(C)CC[N@@H+](C)CCOc1ccccc1Cl ZINC000509846492 1121635875 /nfs/dbraw/zinc/63/58/75/1121635875.db2.gz NVFZBDOYBFAOAL-UHFFFAOYSA-N 1 1 253.773 3.617 20 30 CHEDMO CC(C)n1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611393194 1121642160 /nfs/dbraw/zinc/64/21/60/1121642160.db2.gz NQUCQWSSQBQOTG-SFHVURJKSA-N 1 1 294.402 3.503 20 30 CHEDMO Cc1ccc(SCC[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000433304505 1121642952 /nfs/dbraw/zinc/64/29/52/1121642952.db2.gz KVMBJGWRZPUCQQ-UHFFFAOYSA-N 1 1 276.449 3.877 20 30 CHEDMO Cc1ccc(SCC[N@H+](C)CC(C)(C)C#N)cc1C ZINC000433304505 1121642955 /nfs/dbraw/zinc/64/29/55/1121642955.db2.gz KVMBJGWRZPUCQQ-UHFFFAOYSA-N 1 1 276.449 3.877 20 30 CHEDMO C[C@H](C#N)C[N@@H+](CC(C)(C)c1ccccc1)C1CC1 ZINC000611416366 1121646181 /nfs/dbraw/zinc/64/61/81/1121646181.db2.gz GYZRPMLRYGCVFI-CQSZACIVSA-N 1 1 256.393 3.588 20 30 CHEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC1(C#N)CC1 ZINC000611430354 1121647217 /nfs/dbraw/zinc/64/72/17/1121647217.db2.gz ABWDEBCSVRJMQQ-MRXNPFEDSA-N 1 1 254.377 3.546 20 30 CHEDMO C#CCCCCCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001176587550 1121648678 /nfs/dbraw/zinc/64/86/78/1121648678.db2.gz LGJPQIKMZSGAFQ-IBGZPJMESA-N 1 1 296.414 3.515 20 30 CHEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001176587550 1121648682 /nfs/dbraw/zinc/64/86/82/1121648682.db2.gz LGJPQIKMZSGAFQ-IBGZPJMESA-N 1 1 296.414 3.515 20 30 CHEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465849 1121649844 /nfs/dbraw/zinc/64/98/44/1121649844.db2.gz RXWAKHTZRSRFQF-ZJUUUORDSA-N 1 1 287.338 3.714 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000397683649 1121693558 /nfs/dbraw/zinc/69/35/58/1121693558.db2.gz JJZLCVGHOJXDQZ-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000397683649 1121693560 /nfs/dbraw/zinc/69/35/60/1121693560.db2.gz JJZLCVGHOJXDQZ-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(COC)cc1 ZINC001176771800 1121694082 /nfs/dbraw/zinc/69/40/82/1121694082.db2.gz VYAPXZBIAZIWAQ-QGZVFWFLSA-N 1 1 259.393 3.764 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC001176815398 1121695624 /nfs/dbraw/zinc/69/56/24/1121695624.db2.gz VCRHARPBKFPFLW-CYBMUJFWSA-N 1 1 285.309 3.778 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1CCO[C@H](CC)c1ccccc1 ZINC001176814784 1121695789 /nfs/dbraw/zinc/69/57/89/1121695789.db2.gz QNESZQSTBKGYIY-IAGOWNOFSA-N 1 1 259.393 3.805 20 30 CHEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC001176814866 1121696110 /nfs/dbraw/zinc/69/61/10/1121696110.db2.gz RFGSDHJXXGWJRC-LBPRGKRZSA-N 1 1 271.282 3.561 20 30 CHEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC001176814866 1121696113 /nfs/dbraw/zinc/69/61/13/1121696113.db2.gz RFGSDHJXXGWJRC-LBPRGKRZSA-N 1 1 271.282 3.561 20 30 CHEDMO C=CCCC[N@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC001176798727 1121696911 /nfs/dbraw/zinc/69/69/11/1121696911.db2.gz XLKXHZKJJGMPRO-LLVKDONJSA-N 1 1 250.213 3.858 20 30 CHEDMO C=CCCC[N@H+](CC)CC#Cc1ccccc1Cl ZINC001176798716 1121697556 /nfs/dbraw/zinc/69/75/56/1121697556.db2.gz XCEHPJULVRRWDN-UHFFFAOYSA-N 1 1 261.796 3.980 20 30 CHEDMO CCCCCCCC[N@H+]1CCCC[C@]12CCOC2 ZINC001176971699 1121703058 /nfs/dbraw/zinc/70/30/58/1121703058.db2.gz VGCBNUYVPBGGOL-MRXNPFEDSA-N 1 1 253.430 3.992 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCc2sccc2C1 ZINC000614398102 1121707934 /nfs/dbraw/zinc/70/79/34/1121707934.db2.gz IICOQFJHANDIQA-UHFFFAOYSA-N 1 1 282.412 3.877 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000614400823 1121709256 /nfs/dbraw/zinc/70/92/56/1121709256.db2.gz HKACPEBFSLCBHB-OAHLLOKOSA-N 1 1 276.383 3.814 20 30 CHEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC001177905525 1121755516 /nfs/dbraw/zinc/75/55/16/1121755516.db2.gz QKFCGPJEFJWWIA-UHFFFAOYSA-N 1 1 283.799 3.572 20 30 CHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1C ZINC000729267134 1121770022 /nfs/dbraw/zinc/77/00/22/1121770022.db2.gz KCWZANBCYSXGNX-UHFFFAOYSA-N 1 1 294.398 3.920 20 30 CHEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001178584474 1121796289 /nfs/dbraw/zinc/79/62/89/1121796289.db2.gz HYOSCRIUKMSSJG-FQEVSTJZSA-N 1 1 296.458 3.555 20 30 CHEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)cc1 ZINC001178584474 1121796294 /nfs/dbraw/zinc/79/62/94/1121796294.db2.gz HYOSCRIUKMSSJG-FQEVSTJZSA-N 1 1 296.458 3.555 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000345306985 1121870280 /nfs/dbraw/zinc/87/02/80/1121870280.db2.gz RKDHAGUMEGOZHE-NWDGAFQWSA-N 1 1 297.427 3.915 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2cnccc2o1 ZINC001179430137 1121877673 /nfs/dbraw/zinc/87/76/73/1121877673.db2.gz PUGGTUDJBIEXBD-LLVKDONJSA-N 1 1 295.317 3.689 20 30 CHEDMO C=CC1CC[NH+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000732181368 1121911092 /nfs/dbraw/zinc/91/10/92/1121911092.db2.gz SBLBYASAWPBZPO-UHFFFAOYSA-N 1 1 287.432 3.565 20 30 CHEDMO C=C(Br)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000732412579 1121921633 /nfs/dbraw/zinc/92/16/33/1121921633.db2.gz PHWCIROJTHOVTL-UHFFFAOYSA-N 1 1 272.230 3.941 20 30 CHEDMO C=CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C(C)C ZINC001179997342 1121935625 /nfs/dbraw/zinc/93/56/25/1121935625.db2.gz IVSMVFWEBJDEAM-OAHLLOKOSA-N 1 1 298.471 3.680 20 30 CHEDMO C#CC[N@H+](Cc1ccc(C(=O)OC)c(C)c1)C1CCCCC1 ZINC001180030174 1121938409 /nfs/dbraw/zinc/93/84/09/1121938409.db2.gz JNFKOVOUKPKZMC-UHFFFAOYSA-N 1 1 299.414 3.550 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001180029577 1121939541 /nfs/dbraw/zinc/93/95/41/1121939541.db2.gz CFIKUJQYBAEEPN-HNNXBMFYSA-N 1 1 286.419 3.772 20 30 CHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001180029577 1121939549 /nfs/dbraw/zinc/93/95/49/1121939549.db2.gz CFIKUJQYBAEEPN-HNNXBMFYSA-N 1 1 286.419 3.772 20 30 CHEDMO C#CC[N@H+](CC#CC)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001180202811 1121962555 /nfs/dbraw/zinc/96/25/55/1121962555.db2.gz AQIRQOLLYSSBRM-AWEZNQCLSA-N 1 1 293.332 3.767 20 30 CHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC000501199556 1121962722 /nfs/dbraw/zinc/96/27/22/1121962722.db2.gz BGOSBRKWJIOBNG-CQSZACIVSA-N 1 1 272.392 3.579 20 30 CHEDMO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)c(C)c1Br ZINC001180240265 1121968197 /nfs/dbraw/zinc/96/81/97/1121968197.db2.gz VTOWSSWHNCLDKO-SNVBAGLBSA-N 1 1 295.224 3.657 20 30 CHEDMO CC[N@@H+](Cc1c(C)cc(C)c(COC)c1C)C[C@@H](C)C#N ZINC001180238803 1121967824 /nfs/dbraw/zinc/96/78/24/1121967824.db2.gz BVGFZJFQTXHCNO-ZDUSSCGKSA-N 1 1 288.435 3.740 20 30 CHEDMO CC[N@H+](Cc1c(C)cc(C)c(COC)c1C)C[C@@H](C)C#N ZINC001180238803 1121967826 /nfs/dbraw/zinc/96/78/26/1121967826.db2.gz BVGFZJFQTXHCNO-ZDUSSCGKSA-N 1 1 288.435 3.740 20 30 CHEDMO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(C)c1Br ZINC001180240265 1121968190 /nfs/dbraw/zinc/96/81/90/1121968190.db2.gz VTOWSSWHNCLDKO-SNVBAGLBSA-N 1 1 295.224 3.657 20 30 CHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000501796293 1122010663 /nfs/dbraw/zinc/01/06/63/1122010663.db2.gz PJUVBUJZVXFNRH-NWDGAFQWSA-N 1 1 294.345 3.638 20 30 CHEDMO C=CCC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001180905609 1122022917 /nfs/dbraw/zinc/02/29/17/1122022917.db2.gz HAIIJGUDEHRPGH-UHFFFAOYSA-N 1 1 281.421 3.711 20 30 CHEDMO CCCCCCC[C@@H](C)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001181133691 1122038163 /nfs/dbraw/zinc/03/81/63/1122038163.db2.gz XULMPDPVJCCJQK-WBVHZDCISA-N 1 1 282.472 3.584 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001181316218 1122049650 /nfs/dbraw/zinc/04/96/50/1122049650.db2.gz WYLBXJJQFZNYGJ-OZSKJFCKSA-N 1 1 270.420 3.806 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955592 1122051261 /nfs/dbraw/zinc/05/12/61/1122051261.db2.gz WPRFDRCGUASSDZ-GFCCVEGCSA-N 1 1 276.346 3.981 20 30 CHEDMO C=CC[C@@H]([NH2+]C(CC(C)C)CC(C)C)C(=O)OCC ZINC001181454327 1122054962 /nfs/dbraw/zinc/05/49/62/1122054962.db2.gz DPFKIJKMBGSJPJ-OAHLLOKOSA-N 1 1 269.429 3.545 20 30 CHEDMO C#CC[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001181880365 1122089255 /nfs/dbraw/zinc/08/92/55/1122089255.db2.gz UCAHNRVUHBHHBA-GFCCVEGCSA-N 1 1 281.321 3.907 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccnc1 ZINC000421359720 1122100676 /nfs/dbraw/zinc/10/06/76/1122100676.db2.gz XUGITYPIFHVMQJ-CYBMUJFWSA-N 1 1 283.350 3.675 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC001182605443 1122180300 /nfs/dbraw/zinc/18/03/00/1122180300.db2.gz TXADNRLZDUWLHA-CYBMUJFWSA-N 1 1 279.786 3.757 20 30 CHEDMO C=CCCCCCCC[N@H+]1CCCC[C@](C)(CN)C1 ZINC001206542064 1122189984 /nfs/dbraw/zinc/18/99/84/1122189984.db2.gz QLLIKGJWCNJDOU-QGZVFWFLSA-N 1 1 266.473 3.964 20 30 CHEDMO C=CCCCCCCC[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001206542064 1122189985 /nfs/dbraw/zinc/18/99/85/1122189985.db2.gz QLLIKGJWCNJDOU-QGZVFWFLSA-N 1 1 266.473 3.964 20 30 CHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001182805980 1122190018 /nfs/dbraw/zinc/19/00/18/1122190018.db2.gz NKVUEILUDCHTLR-OAHLLOKOSA-N 1 1 288.391 4.000 20 30 CHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000774592872 1122208318 /nfs/dbraw/zinc/20/83/18/1122208318.db2.gz GNADFOGCNSWYMB-CABCVRRESA-N 1 1 296.455 3.578 20 30 CHEDMO CCCCCCCCC[C@@H](C)[NH2+]Cc1ncon1 ZINC001258229013 1129038804 /nfs/dbraw/zinc/03/88/04/1129038804.db2.gz LIPPOVSTSHKPGE-CYBMUJFWSA-N 1 1 253.390 3.688 20 30 CHEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001258228645 1129038859 /nfs/dbraw/zinc/03/88/59/1129038859.db2.gz JBYBRHSGNCBEBG-OWCLPIDISA-N 1 1 273.436 3.920 20 30 CHEDMO C=C(C)C[C@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)OCC ZINC001183550738 1122228515 /nfs/dbraw/zinc/22/85/15/1122228515.db2.gz LPQCMWOFDJIKRM-ZBFHGGJFSA-N 1 1 281.440 3.833 20 30 CHEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001184057557 1122253415 /nfs/dbraw/zinc/25/34/15/1122253415.db2.gz WOBDZWNWMGLMLE-JXSMBQFASA-N 1 1 284.378 3.565 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccc(C(=O)OC)c(C)c1 ZINC001184188411 1122258469 /nfs/dbraw/zinc/25/84/69/1122258469.db2.gz MGPPFHYPZWHNET-UHFFFAOYSA-N 1 1 275.392 3.570 20 30 CHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1F ZINC000774822255 1122318571 /nfs/dbraw/zinc/31/85/71/1122318571.db2.gz ZAOBNVZCMOITIG-UHFFFAOYSA-N 1 1 298.361 3.646 20 30 CHEDMO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000711898596 1122364138 /nfs/dbraw/zinc/36/41/38/1122364138.db2.gz CUVPMVNVELZYHF-ZDUSSCGKSA-N 1 1 282.412 3.933 20 30 CHEDMO C=CC[N@H+](C[C@@H](OC)c1ccc(Cl)cc1)C1CC1 ZINC000514137347 1122381372 /nfs/dbraw/zinc/38/13/72/1122381372.db2.gz FIHMQLAGGWSUBC-OAHLLOKOSA-N 1 1 265.784 3.678 20 30 CHEDMO C=CC[N@@H+](CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000430101711 1122404258 /nfs/dbraw/zinc/40/42/58/1122404258.db2.gz NMZUFEBHAGRXHN-CQSZACIVSA-N 1 1 260.356 3.548 20 30 CHEDMO C=CC[N@H+](CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000430101711 1122404260 /nfs/dbraw/zinc/40/42/60/1122404260.db2.gz NMZUFEBHAGRXHN-CQSZACIVSA-N 1 1 260.356 3.548 20 30 CHEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000514684097 1122438366 /nfs/dbraw/zinc/43/83/66/1122438366.db2.gz LSWLYUXOOIZJOZ-CYBMUJFWSA-N 1 1 291.354 3.859 20 30 CHEDMO C[N@@H+](CCSc1cccc(C#N)c1)Cc1ccccc1 ZINC000430134588 1122439939 /nfs/dbraw/zinc/43/99/39/1122439939.db2.gz PDXSTSMVRDVUDT-UHFFFAOYSA-N 1 1 282.412 3.782 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000775184698 1122471568 /nfs/dbraw/zinc/47/15/68/1122471568.db2.gz XVAZTMJZHGILNU-NSHDSACASA-N 1 1 275.298 3.678 20 30 CHEDMO C=CC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000515510526 1122505805 /nfs/dbraw/zinc/50/58/05/1122505805.db2.gz PULQCMSPUANRIT-UHFFFAOYSA-N 1 1 287.325 3.862 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000515544848 1122507817 /nfs/dbraw/zinc/50/78/17/1122507817.db2.gz VVDYZQLMVRMRTD-KRWDZBQOSA-N 1 1 279.387 3.684 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@@H](C)c1ccc(F)cc1 ZINC001190474642 1122540681 /nfs/dbraw/zinc/54/06/81/1122540681.db2.gz FZXFQOZUCIYYCR-ZDUSSCGKSA-N 1 1 283.350 3.675 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1ccc(OC)cc1OC ZINC001190540844 1122541923 /nfs/dbraw/zinc/54/19/23/1122541923.db2.gz 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CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437419136 1122633813 /nfs/dbraw/zinc/63/38/13/1122633813.db2.gz PCVDOTMIPPBQPF-LBPRGKRZSA-N 1 1 294.345 3.782 20 30 CHEDMO C[C@@H]([N@@H+](C)CC#Cc1ccc(Cl)cc1)C1(C)CC1 ZINC000437545660 1122640576 /nfs/dbraw/zinc/64/05/76/1122640576.db2.gz ZYQGBNVHNDOHDO-CYBMUJFWSA-N 1 1 261.796 3.812 20 30 CHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)CC1 ZINC001192944333 1122662957 /nfs/dbraw/zinc/66/29/57/1122662957.db2.gz NWCCWOSDLYBSSR-HOTGVXAUSA-N 1 1 297.487 3.519 20 30 CHEDMO CCCCCCC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000775563756 1122675506 /nfs/dbraw/zinc/67/55/06/1122675506.db2.gz IDSCWRVKCCDUOU-UHFFFAOYSA-N 1 1 294.405 3.915 20 30 CHEDMO C=CCCC[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438114721 1122680360 /nfs/dbraw/zinc/68/03/60/1122680360.db2.gz OYJLEWRAEARTOD-UHFFFAOYSA-N 1 1 297.320 3.835 20 30 CHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000438193786 1122686307 /nfs/dbraw/zinc/68/63/07/1122686307.db2.gz WFBNHNIEWUXYFH-MRXNPFEDSA-N 1 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CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)cn2)C2CC2)cc1 ZINC000519722384 1123018037 /nfs/dbraw/zinc/01/80/37/1123018037.db2.gz FYCHWDLLFVERQQ-UHFFFAOYSA-N 1 1 297.789 3.771 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)cn2)C2CC2)cc1 ZINC000519722384 1123018038 /nfs/dbraw/zinc/01/80/38/1123018038.db2.gz FYCHWDLLFVERQQ-UHFFFAOYSA-N 1 1 297.789 3.771 20 30 CHEDMO N#CC1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000775976669 1123031223 /nfs/dbraw/zinc/03/12/23/1123031223.db2.gz WALMLDDXLUWBLS-QZTJIDSGSA-N 1 1 298.430 3.658 20 30 CHEDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCC#N ZINC000441064762 1123054592 /nfs/dbraw/zinc/05/45/92/1123054592.db2.gz JGIPDDORMCRILI-OXJNMPFZSA-N 1 1 290.410 3.979 20 30 CHEDMO CCC[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000441140886 1123060690 /nfs/dbraw/zinc/06/06/90/1123060690.db2.gz KTIDROKTTUIQKH-UHFFFAOYSA-N 1 1 261.796 3.814 20 30 CHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001201423842 1123099124 /nfs/dbraw/zinc/09/91/24/1123099124.db2.gz UXEIXQJWKAGPSV-FUHWJXTLSA-N 1 1 296.414 3.758 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cnc1F ZINC000895019118 1123102060 /nfs/dbraw/zinc/10/20/60/1123102060.db2.gz ZRYRHYLGKQDHRE-CYBMUJFWSA-N 1 1 283.350 3.594 20 30 CHEDMO COC1CCC(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000895019114 1123102422 /nfs/dbraw/zinc/10/24/22/1123102422.db2.gz ZLGYCZJXRVAUFX-KSTDHSDQSA-N 1 1 286.419 3.756 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1 ZINC000328708129 1123108577 /nfs/dbraw/zinc/10/85/77/1123108577.db2.gz AYWDGAILDWRLQY-BFYDXBDKSA-N 1 1 297.402 3.679 20 30 CHEDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000507754731 1123133707 /nfs/dbraw/zinc/13/37/07/1123133707.db2.gz BBTDBZGUFFIMHY-UHFFFAOYSA-N 1 1 282.387 3.852 20 30 CHEDMO N#Cc1ccc2c(c1)CC[N@H+](CCCc1ccccc1)C2 ZINC001201652734 1123135876 /nfs/dbraw/zinc/13/58/76/1123135876.db2.gz HOEGFAVGQWCENG-UHFFFAOYSA-N 1 1 276.383 3.549 20 30 CHEDMO CC(N=Nc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779752107 1129101489 /nfs/dbraw/zinc/10/14/89/1129101489.db2.gz GZMXQFKPYZTUHJ-SFHVURJKSA-N 1 1 293.414 3.997 20 30 CHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCCCCC)C2 ZINC001201747016 1123145030 /nfs/dbraw/zinc/14/50/30/1123145030.db2.gz RWNMNFTYLGZTEG-SFHVURJKSA-N 1 1 292.467 3.600 20 30 CHEDMO C=CC[N@H+](Cc1cc(C)c2ncccc2c1)C1CC1 ZINC000350270748 1123145793 /nfs/dbraw/zinc/14/57/93/1123145793.db2.gz UTLHSPSZQRYFOG-UHFFFAOYSA-N 1 1 252.361 3.694 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201761423 1123147916 /nfs/dbraw/zinc/14/79/16/1123147916.db2.gz DPOPMVYGBSDTCA-OLZOCXBDSA-N 1 1 281.362 3.592 20 30 CHEDMO CCCCCCC[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001201761557 1123148283 /nfs/dbraw/zinc/14/82/83/1123148283.db2.gz KATDEAJGTNTZJL-IRXDYDNUSA-N 1 1 271.404 3.869 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001201804090 1123150058 /nfs/dbraw/zinc/15/00/58/1123150058.db2.gz APTBAIRJTSDCPK-HOTGVXAUSA-N 1 1 255.446 3.830 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001201797972 1123150089 /nfs/dbraw/zinc/15/00/89/1123150089.db2.gz JNMBPOIHKIYNOE-MRXNPFEDSA-N 1 1 276.424 3.814 20 30 CHEDMO CCCCCCCC[N@@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001201813176 1123151362 /nfs/dbraw/zinc/15/13/62/1123151362.db2.gz BQYHBAVWHKGORN-OAHLLOKOSA-N 1 1 293.455 3.767 20 30 CHEDMO CCCCCCCC[N@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001201813176 1123151366 /nfs/dbraw/zinc/15/13/66/1123151366.db2.gz BQYHBAVWHKGORN-OAHLLOKOSA-N 1 1 293.455 3.767 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001201813818 1123151526 /nfs/dbraw/zinc/15/15/26/1123151526.db2.gz JYJITNYTRNJXBI-SFHVURJKSA-N 1 1 294.483 3.681 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201776799 1123151581 /nfs/dbraw/zinc/15/15/81/1123151581.db2.gz LXFLSLKAQWTWER-IRXDYDNUSA-N 1 1 294.483 3.536 20 30 CHEDMO CCCCCCCCC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001201852727 1123152546 /nfs/dbraw/zinc/15/25/46/1123152546.db2.gz IGQWXOYFCWHXIZ-IAGOWNOFSA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCC[N@@H+](CCO)Cc1cccs1 ZINC001201825638 1123153331 /nfs/dbraw/zinc/15/33/31/1123153331.db2.gz BDCUSPONMDXMPM-UHFFFAOYSA-N 1 1 269.454 3.903 20 30 CHEDMO Cc1cc(OCC[N@H+](C)[C@@H](C)CC#N)ccc1C(C)C ZINC000346024999 1123155850 /nfs/dbraw/zinc/15/58/50/1123155850.db2.gz AEZAQXNUUMAXRB-HNNXBMFYSA-N 1 1 274.408 3.731 20 30 CHEDMO Cc1cc(OCC[N@@H+](C)[C@@H](C)CC#N)ccc1C(C)C ZINC000346024999 1123155852 /nfs/dbraw/zinc/15/58/52/1123155852.db2.gz AEZAQXNUUMAXRB-HNNXBMFYSA-N 1 1 274.408 3.731 20 30 CHEDMO CCCCCCCCCN1CCC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001201846662 1123155928 /nfs/dbraw/zinc/15/59/28/1123155928.db2.gz JYGQHBRJPNMYGV-SJORKVTESA-N 1 1 266.473 3.763 20 30 CHEDMO CCCCCCCCCC[N@H+]1CC[C@]12CCOC2 ZINC001201875294 1123156758 /nfs/dbraw/zinc/15/67/58/1123156758.db2.gz UISZIGAIXNDYPS-MRXNPFEDSA-N 1 1 253.430 3.992 20 30 CHEDMO CCCCCCCCCCN1CC[NH+](CCCOC)CC1 ZINC001201875193 1123157134 /nfs/dbraw/zinc/15/71/34/1123157134.db2.gz RZFCEKRUBIBYBR-UHFFFAOYSA-N 1 1 298.515 3.781 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000181043969 1123161252 /nfs/dbraw/zinc/16/12/52/1123161252.db2.gz KGJJHADDLZUDRH-UHFFFAOYSA-N 1 1 261.337 3.743 20 30 CHEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](CC3CCCC3)C2)c1 ZINC001202178172 1123182233 /nfs/dbraw/zinc/18/22/33/1123182233.db2.gz LGXALXNRZATTAV-SFHVURJKSA-N 1 1 284.403 3.592 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCO[C@H](CC)C1 ZINC000507783054 1123184750 /nfs/dbraw/zinc/18/47/50/1123184750.db2.gz KTGIPHXKAVAOJH-RBUKOAKNSA-N 1 1 298.430 3.751 20 30 CHEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC2(C#N)CC2)o1 ZINC000343318340 1123205573 /nfs/dbraw/zinc/20/55/73/1123205573.db2.gz GLWHSJJJHUUHDK-DZGCQCFKSA-N 1 1 272.392 3.919 20 30 CHEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC2(C#N)CC2)o1 ZINC000343318340 1123205576 /nfs/dbraw/zinc/20/55/76/1123205576.db2.gz GLWHSJJJHUUHDK-DZGCQCFKSA-N 1 1 272.392 3.919 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@](C)(CF)C1 ZINC001252124297 1123224623 /nfs/dbraw/zinc/22/46/23/1123224623.db2.gz QNTVOIOQRXTPRX-HOTGVXAUSA-N 1 1 273.436 3.779 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001252125345 1123225248 /nfs/dbraw/zinc/22/52/48/1123225248.db2.gz XTVUURMVIHCGPT-ZWKOTPCHSA-N 1 1 297.483 3.743 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1C(C)=O ZINC001252129837 1123225416 /nfs/dbraw/zinc/22/54/16/1123225416.db2.gz FNHIHIMDSNQCFC-IRXDYDNUSA-N 1 1 283.456 3.541 20 30 CHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001252125338 1123225559 /nfs/dbraw/zinc/22/55/59/1123225559.db2.gz XTVUURMVIHCGPT-MSOLQXFVSA-N 1 1 297.483 3.743 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001252130659 1123226881 /nfs/dbraw/zinc/22/68/81/1123226881.db2.gz VVQSFENZRRDDQO-IRXDYDNUSA-N 1 1 280.456 3.724 20 30 CHEDMO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001252134644 1123228070 /nfs/dbraw/zinc/22/80/70/1123228070.db2.gz YOEZLTLUSYBPMH-MSOLQXFVSA-N 1 1 298.515 3.512 20 30 CHEDMO CCCCCCCC[C@H](O)CN1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001252134644 1123228066 /nfs/dbraw/zinc/22/80/66/1123228066.db2.gz YOEZLTLUSYBPMH-MSOLQXFVSA-N 1 1 298.515 3.512 20 30 CHEDMO COc1ccc(Cl)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000850390707 1123262046 /nfs/dbraw/zinc/26/20/46/1123262046.db2.gz OZQPTUYGXKMCIV-UHFFFAOYSA-N 1 1 292.810 3.912 20 30 CHEDMO C[N@@H+](Cc1ccoc1)Cc1ccccc1C(C)(C)C#N ZINC000487406851 1123263132 /nfs/dbraw/zinc/26/31/32/1123263132.db2.gz GYXWFJIBFQYPFV-UHFFFAOYSA-N 1 1 268.360 3.713 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000487408295 1123268201 /nfs/dbraw/zinc/26/82/01/1123268201.db2.gz BRKSRSHGZSBDBE-ZDUSSCGKSA-N 1 1 293.345 3.762 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000487408295 1123268203 /nfs/dbraw/zinc/26/82/03/1123268203.db2.gz BRKSRSHGZSBDBE-ZDUSSCGKSA-N 1 1 293.345 3.762 20 30 CHEDMO C[C@H]1[N@@H+](CCC2(C#N)CCCCC2)CCC12CCOCC2 ZINC000335174076 1123316449 /nfs/dbraw/zinc/31/64/49/1123316449.db2.gz NWPBOJUHORVPFL-MRXNPFEDSA-N 1 1 290.451 3.742 20 30 CHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(CC)cn1 ZINC000338933531 1123338551 /nfs/dbraw/zinc/33/85/51/1123338551.db2.gz LMFNOICXQJUTHC-UHFFFAOYSA-N 1 1 291.398 3.704 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(CC)cn1 ZINC000338933531 1123338555 /nfs/dbraw/zinc/33/85/55/1123338555.db2.gz LMFNOICXQJUTHC-UHFFFAOYSA-N 1 1 291.398 3.704 20 30 CHEDMO COc1cc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)ccc1C#N ZINC000442841507 1123342821 /nfs/dbraw/zinc/34/28/21/1123342821.db2.gz GHWGWMABOFLESB-KBXCAEBGSA-N 1 1 284.403 3.579 20 30 CHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C)s2)ccc1C#N ZINC000442884782 1123346897 /nfs/dbraw/zinc/34/68/97/1123346897.db2.gz KYXUGNYSYWYXNA-UHFFFAOYSA-N 1 1 286.400 3.569 20 30 CHEDMO Cc1ccc2cc[nH+]c(N3CCC(CC#N)CC3)c2c1 ZINC000335485745 1123377451 /nfs/dbraw/zinc/37/74/51/1123377451.db2.gz YKCMDSLBSCRPRS-UHFFFAOYSA-N 1 1 265.360 3.673 20 30 CHEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000852101684 1123396875 /nfs/dbraw/zinc/39/68/75/1123396875.db2.gz GPMOYWYNSVDSDM-RDTXWAMCSA-N 1 1 297.402 3.806 20 30 CHEDMO CC[C@@H](C)[N@@H+](CC)Cc1cc(Cl)ccc1OCC#N ZINC000852293605 1123401453 /nfs/dbraw/zinc/40/14/53/1123401453.db2.gz PGUTVOBRXKCUAA-GFCCVEGCSA-N 1 1 280.799 3.863 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000852326293 1123402964 /nfs/dbraw/zinc/40/29/64/1123402964.db2.gz MLOYWCSLQTYVKF-SFHVURJKSA-N 1 1 283.419 3.519 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC2=CCCCC2)C1 ZINC000852333541 1123403304 /nfs/dbraw/zinc/40/33/04/1123403304.db2.gz ORQSAGCUUNFRMV-IBGZPJMESA-N 1 1 295.430 3.829 20 30 CHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000852333541 1123403305 /nfs/dbraw/zinc/40/33/05/1123403305.db2.gz ORQSAGCUUNFRMV-IBGZPJMESA-N 1 1 295.430 3.829 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000776606357 1123411029 /nfs/dbraw/zinc/41/10/29/1123411029.db2.gz VPAKUXCQHRENKJ-UHFFFAOYSA-N 1 1 289.810 3.764 20 30 CHEDMO 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ZINC000449380196 1124717136 /nfs/dbraw/zinc/71/71/36/1124717136.db2.gz MBHBSESCKKAHNP-UHFFFAOYSA-N 1 1 270.401 3.603 20 30 CHEDMO CC(C)(CCC#N)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000449597079 1124813472 /nfs/dbraw/zinc/81/34/72/1124813472.db2.gz YQJWRBHLEZIVES-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000449597079 1124813481 /nfs/dbraw/zinc/81/34/81/1124813481.db2.gz YQJWRBHLEZIVES-MRXNPFEDSA-N 1 1 290.382 3.529 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000449633277 1124830868 /nfs/dbraw/zinc/83/08/68/1124830868.db2.gz OZICYAWZRFIBHZ-QGZVFWFLSA-N 1 1 278.355 3.878 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000449633277 1124830875 /nfs/dbraw/zinc/83/08/75/1124830875.db2.gz OZICYAWZRFIBHZ-QGZVFWFLSA-N 1 1 278.355 3.878 20 30 CHEDMO C=C(CC)C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449736820 1124855674 /nfs/dbraw/zinc/85/56/74/1124855674.db2.gz WMYHLDOPUNDLGC-QGZVFWFLSA-N 1 1 286.463 3.638 20 30 CHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000449763381 1124873918 /nfs/dbraw/zinc/87/39/18/1124873918.db2.gz RDUHYLHDPUYIQX-UHFFFAOYSA-N 1 1 270.401 3.869 20 30 CHEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@]12CCOC2 ZINC001252983204 1124927442 /nfs/dbraw/zinc/92/74/42/1124927442.db2.gz SOIOGIWMWVKDDB-ROUUACIJSA-N 1 1 297.483 3.743 20 30 CHEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC1(C#N)CCC1 ZINC000450226804 1124947083 /nfs/dbraw/zinc/94/70/83/1124947083.db2.gz MZYNIHKGLCEVOB-LLVKDONJSA-N 1 1 264.319 3.651 20 30 CHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450226804 1124947088 /nfs/dbraw/zinc/94/70/88/1124947088.db2.gz MZYNIHKGLCEVOB-LLVKDONJSA-N 1 1 264.319 3.651 20 30 CHEDMO CCOc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)cc1 ZINC000450219408 1124951178 /nfs/dbraw/zinc/95/11/78/1124951178.db2.gz CZLOQCKUZLJKSY-QGZVFWFLSA-N 1 1 284.403 3.916 20 30 CHEDMO CC[N@@H+](CC1(C#N)CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450285124 1124971672 /nfs/dbraw/zinc/97/16/72/1124971672.db2.gz 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1125051119 /nfs/dbraw/zinc/05/11/19/1125051119.db2.gz UZTOMDDJNRDMHI-CYBMUJFWSA-N 1 1 271.364 3.696 20 30 CHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC001137123772 1125052359 /nfs/dbraw/zinc/05/23/59/1125052359.db2.gz CBJOFSMADLPEMR-KOMQPUFPSA-N 1 1 272.392 3.599 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877622965 1125056582 /nfs/dbraw/zinc/05/65/82/1125056582.db2.gz VXHFCJZBMJBCOL-NSHDSACASA-N 1 1 289.766 3.607 20 30 CHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877622965 1125056590 /nfs/dbraw/zinc/05/65/90/1125056590.db2.gz VXHFCJZBMJBCOL-NSHDSACASA-N 1 1 289.766 3.607 20 30 CHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1csc(C2CC2)n1 ZINC000877704589 1125066554 /nfs/dbraw/zinc/06/65/54/1125066554.db2.gz RIQUZVDUQOIBPD-UHFFFAOYSA-N 1 1 297.427 3.567 20 30 CHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1csc(C2CC2)n1 ZINC000877704589 1125066560 /nfs/dbraw/zinc/06/65/60/1125066560.db2.gz RIQUZVDUQOIBPD-UHFFFAOYSA-N 1 1 297.427 3.567 20 30 CHEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC000877908605 1125100303 /nfs/dbraw/zinc/10/03/03/1125100303.db2.gz XSPOUIKRRKNHIR-LJQANCHMSA-N 1 1 298.430 3.549 20 30 CHEDMO C[N@H+](Cc1cc(C(F)(F)F)co1)Cc1cccc(C#N)c1 ZINC000877917095 1125100966 /nfs/dbraw/zinc/10/09/66/1125100966.db2.gz OIVUJXDCATULMK-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO C[N@@H+](Cc1cc(C(F)(F)F)co1)Cc1cccc(C#N)c1 ZINC000877917095 1125100971 /nfs/dbraw/zinc/10/09/71/1125100971.db2.gz OIVUJXDCATULMK-UHFFFAOYSA-N 1 1 294.276 3.802 20 30 CHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](C)CC1)c1ccccc1 ZINC000878002068 1125112342 /nfs/dbraw/zinc/11/23/42/1125112342.db2.gz MCSKQEQHADLNGX-QFBILLFUSA-N 1 1 298.430 3.549 20 30 CHEDMO C#CCCCCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000878084497 1125119115 /nfs/dbraw/zinc/11/91/15/1125119115.db2.gz UWQQMTMZBAIRJH-ZDUSSCGKSA-N 1 1 264.438 3.946 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@H](C)CC1(C)C)c1ccccc1 ZINC000878158504 1125125294 /nfs/dbraw/zinc/12/52/94/1125125294.db2.gz 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1125173186 /nfs/dbraw/zinc/17/31/86/1125173186.db2.gz QBSBZRNIABRXTP-OALUTQOASA-N 1 1 299.462 3.548 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878729367 1125176550 /nfs/dbraw/zinc/17/65/50/1125176550.db2.gz XNJFFGDQTGDEBN-YOEHRIQHSA-N 1 1 284.403 3.510 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878727927 1125176982 /nfs/dbraw/zinc/17/69/82/1125176982.db2.gz FQLOFPKAEQIYHF-XFKAJCMBSA-N 1 1 284.403 3.509 20 30 CHEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000878844428 1125181415 /nfs/dbraw/zinc/18/14/15/1125181415.db2.gz ZBTWNTVDSXAAAV-GOSISDBHSA-N 1 1 286.419 3.547 20 30 CHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000531140225 1125196487 /nfs/dbraw/zinc/19/64/87/1125196487.db2.gz KHIXWOBJNXKZKR-HNNXBMFYSA-N 1 1 292.382 3.556 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000531202573 1125200836 /nfs/dbraw/zinc/20/08/36/1125200836.db2.gz GMZJYQCREVOROY-DNVCBOLYSA-N 1 1 276.383 3.936 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@@H]3CSC[C@H]3C2)CCCCC1 ZINC000879563739 1125219728 /nfs/dbraw/zinc/21/97/28/1125219728.db2.gz FMSUSKBRHBOEBT-HUUCEWRRSA-N 1 1 278.465 3.535 20 30 CHEDMO CCCCCCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127869036 1125220912 /nfs/dbraw/zinc/22/09/12/1125220912.db2.gz UAUFFPGYGPJULX-CYBMUJFWSA-N 1 1 280.378 3.525 20 30 CHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)n1 ZINC000880009346 1125244751 /nfs/dbraw/zinc/24/47/51/1125244751.db2.gz LTNDNCADVNPLAH-MRXNPFEDSA-N 1 1 297.427 3.621 20 30 CHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000880010280 1125245189 /nfs/dbraw/zinc/24/51/89/1125245189.db2.gz WLHATARKWMQJHE-INIZCTEOSA-N 1 1 297.427 3.507 20 30 CHEDMO N#CCC1(C[N@H+]2CCCSC[C@@H]2c2ccccc2)CC1 ZINC000880387848 1125271675 /nfs/dbraw/zinc/27/16/75/1125271675.db2.gz GFSXMSBZWRKQEA-MRXNPFEDSA-N 1 1 286.444 3.860 20 30 CHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000128834836 1125304342 /nfs/dbraw/zinc/30/43/42/1125304342.db2.gz DAHNJTYGYPTJRL-HOTGVXAUSA-N 1 1 286.419 3.990 20 30 CHEDMO CCCCCCCCCC[N@H+]1CCCC[C@H]1C(=O)NC ZINC001168175720 1125332164 /nfs/dbraw/zinc/33/21/64/1125332164.db2.gz QJHQFYOGIJDODV-INIZCTEOSA-N 1 1 282.472 3.728 20 30 CHEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCCCC(C)(C)C#N ZINC000235305968 1125336832 /nfs/dbraw/zinc/33/68/32/1125336832.db2.gz ZHCHUIORZLBLQB-OLZOCXBDSA-N 1 1 254.443 3.532 20 30 CHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cn[nH]c1C ZINC000666238555 1125338507 /nfs/dbraw/zinc/33/85/07/1125338507.db2.gz MPMBCFKRKCERRC-CJNGLKHVSA-N 1 1 269.392 3.556 20 30 CHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000398990184 1125339109 /nfs/dbraw/zinc/33/91/09/1125339109.db2.gz KQLCAYMVDQIYKE-UHFFFAOYSA-N 1 1 256.393 3.907 20 30 CHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000399224538 1125339401 /nfs/dbraw/zinc/33/94/01/1125339401.db2.gz MBHAYWMAHMEBOK-HNNXBMFYSA-N 1 1 264.372 3.946 20 30 CHEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)CC2(CCCC2)O1 ZINC000191225354 1125346636 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C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001168192156 1125376547 /nfs/dbraw/zinc/37/65/47/1125376547.db2.gz NNWALVNPHXOQPN-DOMZBBRYSA-N 1 1 262.784 3.507 20 30 CHEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000883207131 1125377886 /nfs/dbraw/zinc/37/78/86/1125377886.db2.gz GZWIXKPQQMMVPS-QAPCUYQASA-N 1 1 297.446 3.816 20 30 CHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000883227471 1125380646 /nfs/dbraw/zinc/38/06/46/1125380646.db2.gz RHJRKJMNINRNKJ-XUBOLADHSA-N 1 1 298.474 3.779 20 30 CHEDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)c1cccc(C#N)c1 ZINC000610860061 1125384275 /nfs/dbraw/zinc/38/42/75/1125384275.db2.gz VINHQAGKIVXKQV-SNVBAGLBSA-N 1 1 290.288 3.826 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)s1 ZINC000883382287 1125406821 /nfs/dbraw/zinc/40/68/21/1125406821.db2.gz DDGSCVWHGPSKEA-JKSUJKDBSA-N 1 1 286.375 3.735 20 30 CHEDMO CC1CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001168219786 1125418869 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CCCCCCCCCC[N@H+]1CCn2ccnc2C1 ZINC000740875518 1129422035 /nfs/dbraw/zinc/42/20/35/1129422035.db2.gz FEZHWGUKILPGND-UHFFFAOYSA-N 1 1 263.429 3.839 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000093441936 1129424135 /nfs/dbraw/zinc/42/41/35/1129424135.db2.gz HIVBBNFCJWYXAN-OIISXLGYSA-N 1 1 284.403 3.599 20 30 CHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC(C)(C)CCC#N ZINC000093641314 1129426704 /nfs/dbraw/zinc/42/67/04/1129426704.db2.gz MOFUQGJZYVIKGR-QGZVFWFLSA-N 1 1 288.435 3.680 20 30 CHEDMO CCCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741722322 1129449406 /nfs/dbraw/zinc/44/94/06/1129449406.db2.gz FLAJBNHKWRNLJF-HZPDHXFCSA-N 1 1 282.472 3.726 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117710 1129524518 /nfs/dbraw/zinc/52/45/18/1129524518.db2.gz NFQUVVQMNDCWCU-ZWKOTPCHSA-N 1 1 283.415 3.707 20 30 CHEDMO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C(C)C ZINC000743841767 1129537263 /nfs/dbraw/zinc/53/72/63/1129537263.db2.gz 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C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169022479 1129691439 /nfs/dbraw/zinc/69/14/39/1129691439.db2.gz CDQWTENFXAFQJF-DLBZAZTESA-N 1 1 288.391 3.510 20 30 CHEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001169078162 1129697565 /nfs/dbraw/zinc/69/75/65/1129697565.db2.gz MHSXMQLVBWLOFH-ZWKOTPCHSA-N 1 1 270.420 3.879 20 30 CHEDMO CCCCCCCC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000796431373 1129714851 /nfs/dbraw/zinc/71/48/51/1129714851.db2.gz XKRWQRCULXIIMQ-SJORKVTESA-N 1 1 266.473 3.906 20 30 CHEDMO CCCCCCCCC[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC001169542328 1129735232 /nfs/dbraw/zinc/73/52/32/1129735232.db2.gz ZKERJFOGNAPHSA-MRXNPFEDSA-N 1 1 282.472 3.680 20 30 CHEDMO C#C[C@@](C)(CC)Nc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001169701834 1129749613 /nfs/dbraw/zinc/74/96/13/1129749613.db2.gz VAIVIPRQLXKAMX-ZDUSSCGKSA-N 1 1 282.309 3.889 20 30 CHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1C[C@H]1c1ccccc1 ZINC001169811491 1129757605 /nfs/dbraw/zinc/75/76/05/1129757605.db2.gz ZGTDWEZEZYCOOU-JKSUJKDBSA-N 1 1 290.370 3.585 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCC[C@@H]2CCOC2)CCCC1(C)C ZINC001169843633 1129760110 /nfs/dbraw/zinc/76/01/10/1129760110.db2.gz GJRXQXSWOPHDEL-CVEARBPZSA-N 1 1 265.441 3.870 20 30 CHEDMO C=CC[C@@H]1[N@H+](CCC[C@H]2CCOC2)CCCC1(C)C ZINC001169843634 1129760249 /nfs/dbraw/zinc/76/02/49/1129760249.db2.gz GJRXQXSWOPHDEL-HOTGVXAUSA-N 1 1 265.441 3.870 20 30 CHEDMO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000103460846 1129764915 /nfs/dbraw/zinc/76/49/15/1129764915.db2.gz ASDLZIMGVATNAT-ZDUSSCGKSA-N 1 1 274.408 3.732 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000103460846 1129764918 /nfs/dbraw/zinc/76/49/18/1129764918.db2.gz ASDLZIMGVATNAT-ZDUSSCGKSA-N 1 1 274.408 3.732 20 30 CHEDMO C#CCCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000766895422 1129769145 /nfs/dbraw/zinc/76/91/45/1129769145.db2.gz KXOWMJIMYNCDLH-UHFFFAOYSA-N 1 1 256.176 3.839 20 30 CHEDMO C=CCCCCCC[NH2+]C1CCN(C(C)C)CC1 ZINC000380818360 1129832239 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C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001139029831 1129839604 /nfs/dbraw/zinc/83/96/04/1129839604.db2.gz QVZKZEUNYCUTMG-GJZGRUSLSA-N 1 1 259.393 3.872 20 30 CHEDMO C#CC[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000381488370 1129840640 /nfs/dbraw/zinc/84/06/40/1129840640.db2.gz KVZUYFOTRRSYMD-CYBMUJFWSA-N 1 1 254.160 3.667 20 30 CHEDMO C#CCOc1ccccc1C[N@H+](Cc1ccco1)C(C)C ZINC000768249395 1129846318 /nfs/dbraw/zinc/84/63/18/1129846318.db2.gz FLSSQLYFELEWSH-UHFFFAOYSA-N 1 1 283.371 3.702 20 30 CHEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cnc1Cl ZINC000768262952 1129848268 /nfs/dbraw/zinc/84/82/68/1129848268.db2.gz MSLHPJTUDYTBLB-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cnc1Cl ZINC000768262952 1129848271 /nfs/dbraw/zinc/84/82/71/1129848271.db2.gz MSLHPJTUDYTBLB-UHFFFAOYSA-N 1 1 285.778 3.547 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cncc2ccccc21 ZINC000768264102 1129848578 /nfs/dbraw/zinc/84/85/78/1129848578.db2.gz ZUVDMDLERUPEMK-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C(C)C ZINC000768441708 1129856722 /nfs/dbraw/zinc/85/67/22/1129856722.db2.gz GKMAQAOYVISBIS-UHFFFAOYSA-N 1 1 259.393 3.667 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000768542039 1129862378 /nfs/dbraw/zinc/86/23/78/1129862378.db2.gz DIDAGGZZTCFBGQ-ZIAGYGMSSA-N 1 1 274.408 3.844 20 30 CHEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542133 1129862695 /nfs/dbraw/zinc/86/26/95/1129862695.db2.gz KNPBAXRTFKOMJY-LBPRGKRZSA-N 1 1 296.867 3.954 20 30 CHEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768542133 1129862701 /nfs/dbraw/zinc/86/27/01/1129862701.db2.gz KNPBAXRTFKOMJY-LBPRGKRZSA-N 1 1 296.867 3.954 20 30 CHEDMO C=CC[N@@H+](Cc1cn(-c2ccccc2)nc1C)C(C)C ZINC000768548088 1129863583 /nfs/dbraw/zinc/86/35/83/1129863583.db2.gz WGVRIQIOELOGCD-UHFFFAOYSA-N 1 1 269.392 3.577 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C(C)C ZINC000768547863 1129864131 /nfs/dbraw/zinc/86/41/31/1129864131.db2.gz SMCDQTQNNSVWLA-UHFFFAOYSA-N 1 1 273.355 3.612 20 30 CHEDMO C=CC[C@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccncc1 ZINC000772864500 1131403220 /nfs/dbraw/zinc/40/32/20/1131403220.db2.gz JKHKJLZLZFIGPE-FZMZJTMJSA-N 1 1 273.405 3.815 20 30 CHEDMO C=CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C(C)C ZINC000768713030 1129869800 /nfs/dbraw/zinc/86/98/00/1129869800.db2.gz HTMDZIPJPJKVIW-UHFFFAOYSA-N 1 1 262.397 3.655 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+](CCC#N)C(C)C)cc1F ZINC000768765907 1129870894 /nfs/dbraw/zinc/87/08/94/1129870894.db2.gz VWIVLPBQMZYIGP-UHFFFAOYSA-N 1 1 291.414 3.796 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](CCC#N)C(C)C)cc1F ZINC000768765907 1129870901 /nfs/dbraw/zinc/87/09/01/1129870901.db2.gz VWIVLPBQMZYIGP-UHFFFAOYSA-N 1 1 291.414 3.796 20 30 CHEDMO C#CCCC[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466418 1129874698 /nfs/dbraw/zinc/87/46/98/1129874698.db2.gz AAFMZFVQPLFLFZ-MRXNPFEDSA-N 1 1 286.419 3.529 20 30 CHEDMO COc1ccc(C[N@@H+](C)CC2CCCCC2)c(C#N)c1 ZINC001137704508 1131403864 /nfs/dbraw/zinc/40/38/64/1131403864.db2.gz JBJVOTAWWIMDGE-UHFFFAOYSA-N 1 1 272.392 3.579 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1cnc2cnccn12 ZINC000768991966 1129885381 /nfs/dbraw/zinc/88/53/81/1129885381.db2.gz NIGFTMTULBNXHY-UHFFFAOYSA-N 1 1 288.439 3.912 20 30 CHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446921 1129910679 /nfs/dbraw/zinc/91/06/79/1129910679.db2.gz DRXUMSCLHBPIRI-NVXWUHKLSA-N 1 1 285.435 3.657 20 30 CHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769448471 1129911179 /nfs/dbraw/zinc/91/11/79/1129911179.db2.gz RVXHIEHDTZPGGX-IJEWVQPXSA-N 1 1 272.392 3.598 20 30 CHEDMO CC(=[NH+]Nc1ccccc1)c1ccccc1N(C)C ZINC000769567546 1129917765 /nfs/dbraw/zinc/91/77/65/1129917765.db2.gz RLOZEECDELHEEY-UHFFFAOYSA-N 1 1 253.349 3.589 20 30 CHEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccccc1N(C)C ZINC000769568530 1129917844 /nfs/dbraw/zinc/91/78/44/1129917844.db2.gz ZSYNHGSGOKRZHD-UHFFFAOYSA-N 1 1 267.376 3.897 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000801550515 1129926873 /nfs/dbraw/zinc/92/68/73/1129926873.db2.gz FJIJYXLNXXAFFY-OAHLLOKOSA-N 1 1 290.455 3.599 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801590779 1129930872 /nfs/dbraw/zinc/93/08/72/1129930872.db2.gz PYZXAAXZMAZSBY-JTQLQIEISA-N 1 1 267.722 3.793 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801590779 1129930874 /nfs/dbraw/zinc/93/08/74/1129930874.db2.gz PYZXAAXZMAZSBY-JTQLQIEISA-N 1 1 267.722 3.793 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC000769963511 1129932153 /nfs/dbraw/zinc/93/21/53/1129932153.db2.gz VGPVCEXBDCBEAZ-GFCCVEGCSA-N 1 1 269.310 3.592 20 30 CHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000769962995 1129932800 /nfs/dbraw/zinc/93/28/00/1129932800.db2.gz OEMNPMBQGMHIRA-HNNXBMFYSA-N 1 1 274.367 3.679 20 30 CHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000769977502 1129933805 /nfs/dbraw/zinc/93/38/05/1129933805.db2.gz GSTIKUVICKLTKX-CYBMUJFWSA-N 1 1 255.386 3.869 20 30 CHEDMO CCCC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000801913847 1129958761 /nfs/dbraw/zinc/95/87/61/1129958761.db2.gz OJKGNNVJWIACRC-HOTGVXAUSA-N 1 1 274.408 3.778 20 30 CHEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CCO[C@@H](C)C#N)o1 ZINC000801922911 1129958962 /nfs/dbraw/zinc/95/89/62/1129958962.db2.gz SNTQSYSQSJAQEN-HOCLYGCPSA-N 1 1 290.407 3.688 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000801925080 1129959673 /nfs/dbraw/zinc/95/96/73/1129959673.db2.gz ZEEVJPWLDRRFAT-HZSPNIEDSA-N 1 1 294.826 3.692 20 30 CHEDMO Cc1cccc([C@@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)c1C ZINC000801925155 1129960230 /nfs/dbraw/zinc/96/02/30/1129960230.db2.gz GAQWJPQIPISLFF-QAPCUYQASA-N 1 1 286.419 3.759 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000823110481 1131412683 /nfs/dbraw/zinc/41/26/83/1131412683.db2.gz VYJQAFXLDBKVNJ-CVEARBPZSA-N 1 1 286.419 3.921 20 30 CHEDMO C=CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000772382275 1130020770 /nfs/dbraw/zinc/02/07/70/1130020770.db2.gz PNQLPOYQFAWRHZ-AWEZNQCLSA-N 1 1 286.202 3.677 20 30 CHEDMO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)(C)C ZINC000802641879 1130024461 /nfs/dbraw/zinc/02/44/61/1130024461.db2.gz JNDHKBOZYIZCFO-WMLDXEAASA-N 1 1 286.419 3.614 20 30 CHEDMO C#CC[N@H+](Cc1occc1C)[C@H]1CCc2ccccc21 ZINC000772597569 1130032122 /nfs/dbraw/zinc/03/21/22/1130032122.db2.gz HOHAGGURSOPARL-KRWDZBQOSA-N 1 1 265.356 3.711 20 30 CHEDMO CC[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1 ZINC000902728608 1130046724 /nfs/dbraw/zinc/04/67/24/1130046724.db2.gz XTMVDRLLJAGSPI-KRWDZBQOSA-N 1 1 299.462 3.908 20 30 CHEDMO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1cccc(C#N)c1 ZINC000902735726 1130048594 /nfs/dbraw/zinc/04/85/94/1130048594.db2.gz IVHHNWMKRUTSNF-CQSZACIVSA-N 1 1 271.389 3.564 20 30 CHEDMO CCCC[NH+]1CCC(N[C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902779663 1130055776 /nfs/dbraw/zinc/05/57/76/1130055776.db2.gz YUXZIMMFJFHURJ-LJQANCHMSA-N 1 1 299.462 3.863 20 30 CHEDMO CCCCN1CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902779663 1130055782 /nfs/dbraw/zinc/05/57/82/1130055782.db2.gz YUXZIMMFJFHURJ-LJQANCHMSA-N 1 1 299.462 3.863 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000785997004 1130072108 /nfs/dbraw/zinc/07/21/08/1130072108.db2.gz JFJWBZCALAQCFQ-IUODEOHRSA-N 1 1 283.774 3.553 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cncc2ccccc21 ZINC000785999654 1130072188 /nfs/dbraw/zinc/07/21/88/1130072188.db2.gz XQWUZCLPARDAEF-INIZCTEOSA-N 1 1 252.361 3.775 20 30 CHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cncc2ccccc21 ZINC000785999656 1130072734 /nfs/dbraw/zinc/07/27/34/1130072734.db2.gz XQWUZCLPARDAEF-MRXNPFEDSA-N 1 1 252.361 3.775 20 30 CHEDMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903102109 1130112440 /nfs/dbraw/zinc/11/24/40/1130112440.db2.gz SIVXZISOSPCUBO-NSHDSACASA-N 1 1 280.318 3.551 20 30 CHEDMO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100784 1130112572 /nfs/dbraw/zinc/11/25/72/1130112572.db2.gz XRPRFJOLTTURPV-JTQLQIEISA-N 1 1 265.426 3.775 20 30 CHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000903106389 1130113534 /nfs/dbraw/zinc/11/35/34/1130113534.db2.gz OZLWKMPIINQHKS-CYBMUJFWSA-N 1 1 272.392 3.818 20 30 CHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001461929451 1130115789 /nfs/dbraw/zinc/11/57/89/1130115789.db2.gz WMDVXOYXVVVOBZ-FUHWJXTLSA-N 1 1 255.405 3.939 20 30 CHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1csc(Cl)c1 ZINC000786934305 1130123521 /nfs/dbraw/zinc/12/35/21/1130123521.db2.gz JCZWVMLPHOUVCY-VIFPVBQESA-N 1 1 277.780 3.519 20 30 CHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(F)nc1C ZINC000787060005 1130131149 /nfs/dbraw/zinc/13/11/49/1130131149.db2.gz CTTWUPUKYGIJRD-UHFFFAOYSA-N 1 1 276.380 3.779 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(F)nc1C ZINC000787060005 1130131153 /nfs/dbraw/zinc/13/11/53/1130131153.db2.gz CTTWUPUKYGIJRD-UHFFFAOYSA-N 1 1 276.380 3.779 20 30 CHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)Cc2ccccc21 ZINC000746653335 1130133687 /nfs/dbraw/zinc/13/36/87/1130133687.db2.gz KFMRBABILKNFHR-CQSZACIVSA-N 1 1 256.393 3.936 20 30 CHEDMO N#Cc1ccc2c(c1)[C@H](Nc1cccc(C3CC3)[nH+]1)CC2 ZINC000903268716 1130141872 /nfs/dbraw/zinc/14/18/72/1130141872.db2.gz NFADIJUKLMBIFO-QGZVFWFLSA-N 1 1 275.355 3.930 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000787770233 1130163475 /nfs/dbraw/zinc/16/34/75/1130163475.db2.gz DCVLHYPBDSNZFX-LJQANCHMSA-N 1 1 276.383 3.708 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001170094512 1130224063 /nfs/dbraw/zinc/22/40/63/1130224063.db2.gz IFQUKEFNWMYSIB-MOPGFXCFSA-N 1 1 279.358 3.817 20 30 CHEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001170094513 1130224082 /nfs/dbraw/zinc/22/40/82/1130224082.db2.gz IFQUKEFNWMYSIB-OALUTQOASA-N 1 1 279.358 3.817 20 30 CHEDMO CC[C@H](C)C[N@@H+](CC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000748263576 1130226507 /nfs/dbraw/zinc/22/65/07/1130226507.db2.gz WIKIKKRUTYOSLB-HNNXBMFYSA-N 1 1 296.418 3.747 20 30 CHEDMO C#CC[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000748806597 1130248148 /nfs/dbraw/zinc/24/81/48/1130248148.db2.gz KPXLCYJZKNKJIQ-KRWDZBQOSA-N 1 1 296.801 3.858 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000748806597 1130248151 /nfs/dbraw/zinc/24/81/51/1130248151.db2.gz KPXLCYJZKNKJIQ-KRWDZBQOSA-N 1 1 296.801 3.858 20 30 CHEDMO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001254497989 1130255118 /nfs/dbraw/zinc/25/51/18/1130255118.db2.gz GMNYUVYTASJHRE-IRXDYDNUSA-N 1 1 256.393 3.633 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000749115853 1130265591 /nfs/dbraw/zinc/26/55/91/1130265591.db2.gz LGTJJQVOLNQZKZ-GFCCVEGCSA-N 1 1 277.239 3.832 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000749115853 1130265594 /nfs/dbraw/zinc/26/55/94/1130265594.db2.gz LGTJJQVOLNQZKZ-GFCCVEGCSA-N 1 1 277.239 3.832 20 30 CHEDMO Cc1c(C#N)ccnc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240383473 1130285664 /nfs/dbraw/zinc/28/56/64/1130285664.db2.gz DSPFDVUETKZQFP-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO CCC#C[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133380 1130292967 /nfs/dbraw/zinc/29/29/67/1130292967.db2.gz SRVVJMHDAZZNAX-VIFPVBQESA-N 1 1 287.247 3.605 20 30 CHEDMO CCC#C[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133380 1130292973 /nfs/dbraw/zinc/29/29/73/1130292973.db2.gz SRVVJMHDAZZNAX-VIFPVBQESA-N 1 1 287.247 3.605 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000826861953 1130297431 /nfs/dbraw/zinc/29/74/31/1130297431.db2.gz PCPVEQZFJAUWIV-QGZVFWFLSA-N 1 1 297.446 3.803 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826861143 1130298192 /nfs/dbraw/zinc/29/81/92/1130298192.db2.gz BCGIPKOVVTVWIG-INIZCTEOSA-N 1 1 285.435 3.658 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2scc(C)c2Cl)C1 ZINC001137292577 1130306310 /nfs/dbraw/zinc/30/63/10/1130306310.db2.gz GPBRPZJPHVBFRN-LLVKDONJSA-N 1 1 253.798 3.555 20 30 CHEDMO C[C@H](C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C(C)(C)C ZINC000826881878 1130306335 /nfs/dbraw/zinc/30/63/35/1130306335.db2.gz GADDTGGPMPBLAZ-CRAIPNDOSA-N 1 1 285.435 3.621 20 30 CHEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000826947660 1130317457 /nfs/dbraw/zinc/31/74/57/1130317457.db2.gz RMNVVORKYNKATO-NSHDSACASA-N 1 1 268.763 3.662 20 30 CHEDMO CC[N@@H+](CC#CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000677818956 1130333855 /nfs/dbraw/zinc/33/38/55/1130333855.db2.gz ZAXKGCUNVVWOPK-ZDUSSCGKSA-N 1 1 299.336 3.738 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[C@H](C)C1 ZINC001170153902 1130366023 /nfs/dbraw/zinc/36/60/23/1130366023.db2.gz TWEIAVNIWHPYSZ-QILLFSRXSA-N 1 1 253.389 3.798 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1Cl ZINC000678273080 1130385681 /nfs/dbraw/zinc/38/56/81/1130385681.db2.gz JFRDYFJYVJFAIA-ZDUSSCGKSA-N 1 1 295.810 3.516 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCOC[C@@H]2C)cc1Cl ZINC000678273080 1130385687 /nfs/dbraw/zinc/38/56/87/1130385687.db2.gz JFRDYFJYVJFAIA-ZDUSSCGKSA-N 1 1 295.810 3.516 20 30 CHEDMO C#CC[N@H+](Cc1[nH]c(C)cc1C)[C@@H]1CCc2ccccc21 ZINC001137329478 1130393808 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C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC001171203936 1131674852 /nfs/dbraw/zinc/67/48/52/1131674852.db2.gz QMSGQQQWKMBOOZ-HNNXBMFYSA-N 1 1 276.383 3.548 20 30 CHEDMO CCC[N@@H+]([C@H](C)CC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171203011 1131675723 /nfs/dbraw/zinc/67/57/23/1131675723.db2.gz HXZOCTOCNPHYCJ-HUUCEWRRSA-N 1 1 258.409 4.000 20 30 CHEDMO N#CC1(C[NH2+]Cc2ccccc2N2CCCCC2)CCCC1 ZINC000846011800 1131678057 /nfs/dbraw/zinc/67/80/57/1131678057.db2.gz PRRXPZUQMMJUKY-UHFFFAOYSA-N 1 1 297.446 3.850 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1[nH]nc2ccc(C)cc21 ZINC001140333927 1131701481 /nfs/dbraw/zinc/70/14/81/1131701481.db2.gz WRLNTIXMLLODPO-UHFFFAOYSA-N 1 1 257.381 3.659 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1n[nH]c2ccc(C)cc21 ZINC001140333927 1131701484 /nfs/dbraw/zinc/70/14/84/1131701484.db2.gz WRLNTIXMLLODPO-UHFFFAOYSA-N 1 1 257.381 3.659 20 30 CHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC001203026181 1131702439 /nfs/dbraw/zinc/70/24/39/1131702439.db2.gz MDABFIMXANYNBE-UHFFFAOYSA-N 1 1 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C#C[C@H]1CCC[N@H+](Cc2c(Cl)ncc3ccccc32)C1 ZINC001140723996 1131896764 /nfs/dbraw/zinc/89/67/64/1131896764.db2.gz KRQFJIYCRUOUIK-ZDUSSCGKSA-N 1 1 284.790 3.733 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140749258 1131906986 /nfs/dbraw/zinc/90/69/86/1131906986.db2.gz UJWFOXHSOUOIQB-UHFFFAOYSA-N 1 1 283.371 3.594 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CCC3(CCCC3)C2)cc1F ZINC001140754330 1131907352 /nfs/dbraw/zinc/90/73/52/1131907352.db2.gz VMWUQJPBGBPXTH-UHFFFAOYSA-N 1 1 276.330 3.603 20 30 CHEDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754619 1131908292 /nfs/dbraw/zinc/90/82/92/1131908292.db2.gz FELWFVYCWDZXOX-GFCCVEGCSA-N 1 1 264.319 3.601 20 30 CHEDMO CC(C)[NH+]1CC(Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228564181 1131910858 /nfs/dbraw/zinc/91/08/58/1131910858.db2.gz HIJJDJBHOKSYSL-UHFFFAOYSA-N 1 1 294.398 3.909 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1Cl ZINC001140809951 1131932405 /nfs/dbraw/zinc/93/24/05/1131932405.db2.gz OBQJVKJXSFRDIH-GFCCVEGCSA-N 1 1 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CCCC[N@@H+](CC)Cc1ccc(C#N)c(Cl)c1 ZINC001232110437 1132423959 /nfs/dbraw/zinc/42/39/59/1132423959.db2.gz OGDXNQUSRLOVFK-UHFFFAOYSA-N 1 1 250.773 3.834 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC23CCCC3)cc1Cl ZINC001232112118 1132424239 /nfs/dbraw/zinc/42/42/39/1132424239.db2.gz PBZLEAZJPMZLED-UHFFFAOYSA-N 1 1 260.768 3.730 20 30 CHEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232115037 1132424450 /nfs/dbraw/zinc/42/44/50/1132424450.db2.gz CZAQDPVYSCKGPR-UHFFFAOYSA-N 1 1 276.792 3.905 20 30 CHEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115384 1132424616 /nfs/dbraw/zinc/42/46/16/1132424616.db2.gz NHWWMBIHGOMFGM-HNNXBMFYSA-N 1 1 292.810 3.601 20 30 CHEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001173297650 1132445285 /nfs/dbraw/zinc/44/52/85/1132445285.db2.gz ZGBWJVJRKWLZIA-SZVBFZGTSA-N 1 1 298.430 3.980 20 30 CHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001173308889 1132449544 /nfs/dbraw/zinc/44/95/44/1132449544.db2.gz 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COc1ccccc1[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592161 1132497086 /nfs/dbraw/zinc/49/70/86/1132497086.db2.gz IMABRTWTRIEFEU-MDCZIUGASA-N 1 1 298.430 3.957 20 30 CHEDMO CC1(C#N)CCC([N@@H+]2CCC[C@H](F)C(F)(F)C2)CC1 ZINC001173592066 1132497146 /nfs/dbraw/zinc/49/71/46/1132497146.db2.gz DYIUJJHXQWRTTP-CPCZMJQVSA-N 1 1 274.330 3.528 20 30 CHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](F)C(F)(F)C2)CC1 ZINC001173592066 1132497148 /nfs/dbraw/zinc/49/71/48/1132497148.db2.gz DYIUJJHXQWRTTP-CPCZMJQVSA-N 1 1 274.330 3.528 20 30 CHEDMO CC1(C#N)CCC([N@@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001173597214 1132498070 /nfs/dbraw/zinc/49/80/70/1132498070.db2.gz MIWGAGUMOKFISL-UHFFFAOYSA-N 1 1 275.783 3.523 20 30 CHEDMO CC1(C#N)CCC([N@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001173597214 1132498073 /nfs/dbraw/zinc/49/80/73/1132498073.db2.gz MIWGAGUMOKFISL-UHFFFAOYSA-N 1 1 275.783 3.523 20 30 CHEDMO CC(=O)c1ccc2c(c1)C[N@@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173597734 1132498324 /nfs/dbraw/zinc/49/83/24/1132498324.db2.gz HFPSWNUWBSKXJU-UHFFFAOYSA-N 1 1 296.414 3.720 20 30 CHEDMO C[N@@H+](CC/C=C/c1cccnc1)C1CCC(C)(C#N)CC1 ZINC001173598568 1132499850 /nfs/dbraw/zinc/49/98/50/1132499850.db2.gz QZDKBUWVUMRHNY-ZZXKWVIFSA-N 1 1 283.419 3.889 20 30 CHEDMO C=CC[N@H+](C1CCC2(C[C@@H]2C(=O)OCC)CC1)C(C)(C)C ZINC001173618716 1132500789 /nfs/dbraw/zinc/50/07/89/1132500789.db2.gz AEDJOIBXWKESRT-SWKXRBFHSA-N 1 1 293.451 3.785 20 30 CHEDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1O ZINC001143110613 1132504380 /nfs/dbraw/zinc/50/43/80/1132504380.db2.gz LIKDHJUBUWMXIA-CQSZACIVSA-N 1 1 286.419 3.815 20 30 CHEDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1O ZINC001143110612 1132504770 /nfs/dbraw/zinc/50/47/70/1132504770.db2.gz LIKDHJUBUWMXIA-AWEZNQCLSA-N 1 1 286.419 3.815 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1C ZINC001143165271 1132512106 /nfs/dbraw/zinc/51/21/06/1132512106.db2.gz XOEMMHRPBWJYLX-NEPJUHHUSA-N 1 1 278.346 3.704 20 30 CHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1F ZINC001143172795 1132513101 /nfs/dbraw/zinc/51/31/01/1132513101.db2.gz DBQNNVIWHUOOGX-WBMJQRKESA-N 1 1 290.357 3.991 20 30 CHEDMO CCC[N@H+](Cc1c(F)ccc(C#N)c1F)CC(C)C ZINC001143175897 1132513455 /nfs/dbraw/zinc/51/34/55/1132513455.db2.gz KCOZYKQUESVDIL-UHFFFAOYSA-N 1 1 266.335 3.704 20 30 CHEDMO C=CC[N@@H+](Cc1scc2c1OCCO2)C1CCCCC1 ZINC001143192630 1132516401 /nfs/dbraw/zinc/51/64/01/1132516401.db2.gz ARYHFCKPVANHCN-UHFFFAOYSA-N 1 1 293.432 3.840 20 30 CHEDMO C=CC[N@@H+](Cc1cc2cccnc2[nH]1)Cc1ccccc1 ZINC001143221952 1132521400 /nfs/dbraw/zinc/52/14/00/1132521400.db2.gz RQBHKZZNXXOCNY-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCC(C)(C)C)cc1 ZINC000843425137 1132533496 /nfs/dbraw/zinc/53/34/96/1132533496.db2.gz FLGHTCKACPWQLC-AWEZNQCLSA-N 1 1 274.408 3.845 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC001232926638 1132546249 /nfs/dbraw/zinc/54/62/49/1132546249.db2.gz XQRJRPLYBHSERB-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC001232926638 1132546253 /nfs/dbraw/zinc/54/62/53/1132546253.db2.gz XQRJRPLYBHSERB-KRWDZBQOSA-N 1 1 297.789 3.944 20 30 CHEDMO N#CCC1C[NH+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001232946131 1132547172 /nfs/dbraw/zinc/54/71/72/1132547172.db2.gz VYJYBJGVPIIXCA-UHFFFAOYSA-N 1 1 286.322 3.644 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C)cc2C#N)c1 ZINC001232962785 1132550249 /nfs/dbraw/zinc/55/02/49/1132550249.db2.gz QXWFQYBMUFCHDS-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2ccc(C)cc2C#N)c1 ZINC001232962785 1132550253 /nfs/dbraw/zinc/55/02/53/1132550253.db2.gz QXWFQYBMUFCHDS-UHFFFAOYSA-N 1 1 264.372 3.807 20 30 CHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C)cc1C#N ZINC001232967613 1132551929 /nfs/dbraw/zinc/55/19/29/1132551929.db2.gz SAJYPHLJPNGAJP-UHFFFAOYSA-N 1 1 293.414 3.716 20 30 CHEDMO Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001232966209 1132553241 /nfs/dbraw/zinc/55/32/41/1132553241.db2.gz HOXVRUGNCIPFLX-SFHVURJKSA-N 1 1 290.410 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284.479 3.547 20 30 CHEDMO COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](C#N)C1 ZINC001209097554 1133973818 /nfs/dbraw/zinc/97/38/18/1133973818.db2.gz GTLYCOXYXYWTEM-MRXNPFEDSA-N 1 1 294.439 3.516 20 30 CHEDMO CCC[N@@H+](CCC#N)CCc1cccc(C(F)(F)F)c1 ZINC001209118492 1133977170 /nfs/dbraw/zinc/97/71/70/1133977170.db2.gz WTDBWBSKHULXCB-UHFFFAOYSA-N 1 1 284.325 3.874 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001209118477 1133977780 /nfs/dbraw/zinc/97/77/80/1133977780.db2.gz WNPKTXHFHAMHLK-CQSZACIVSA-N 1 1 296.336 3.874 20 30 CHEDMO C=CCCC[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001209164158 1133982667 /nfs/dbraw/zinc/98/26/67/1133982667.db2.gz UBXUFMPQFCYPSA-UHFFFAOYSA-N 1 1 284.447 3.551 20 30 CHEDMO C=CCCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001209164744 1133983892 /nfs/dbraw/zinc/98/38/92/1133983892.db2.gz IFSUXESRHFMTQU-UHFFFAOYSA-N 1 1 296.208 3.610 20 30 CHEDMO C=CCCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001209164744 1133983894 /nfs/dbraw/zinc/98/38/94/1133983894.db2.gz IFSUXESRHFMTQU-UHFFFAOYSA-N 1 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1134135376 /nfs/dbraw/zinc/13/53/76/1134135376.db2.gz ZTWHTPUGHPQALP-UHFFFAOYSA-N 1 1 263.275 3.989 20 30 CHEDMO N#Cc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1C#N ZINC001210048010 1134135810 /nfs/dbraw/zinc/13/58/10/1134135810.db2.gz CQBBOHHOAUEPDY-UHFFFAOYSA-N 1 1 270.295 3.722 20 30 CHEDMO Cc1cn2cc(Nc3cc(C)cc(C#N)c3)ccc2[nH+]1 ZINC001210388410 1134206507 /nfs/dbraw/zinc/20/65/07/1134206507.db2.gz LGFFGEQXXYNIFC-UHFFFAOYSA-N 1 1 262.316 3.566 20 30 CHEDMO Cc1ccc(C#N)cc1Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001210504889 1134232093 /nfs/dbraw/zinc/23/20/93/1134232093.db2.gz DDJTWVYMWIKRSH-UHFFFAOYSA-N 1 1 277.371 3.598 20 30 CHEDMO C[N@H+]1CCc2ccc(Nc3cc(Cl)cc(C#N)c3)cc2C1 ZINC001210540099 1134242917 /nfs/dbraw/zinc/24/29/17/1134242917.db2.gz QZLGIINKEBNRMP-UHFFFAOYSA-N 1 1 297.789 3.943 20 30 CHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(OC)c1 ZINC000180065949 1134565125 /nfs/dbraw/zinc/56/51/25/1134565125.db2.gz QWTBOJQLMVFLQH-UHFFFAOYSA-N 1 1 283.371 3.589 20 30 CHEDMO CCc1ccc(C)[nH+]c1Nc1ccc(OC)c(C#N)c1 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CCCCCCCCCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001221293375 1135173261 /nfs/dbraw/zinc/17/32/61/1135173261.db2.gz FKWGHSHQSXAKND-MRXNPFEDSA-N 1 1 297.487 3.521 20 30 CHEDMO C=C(C)CCCOC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001224281894 1135434942 /nfs/dbraw/zinc/43/49/42/1135434942.db2.gz NUOXJUHEAOPSSP-UHFFFAOYSA-N 1 1 274.408 3.732 20 30 CHEDMO C=CCCO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001224339095 1135441616 /nfs/dbraw/zinc/44/16/16/1135441616.db2.gz DEHWHMNYRKCEOR-CQSZACIVSA-N 1 1 265.784 3.507 20 30 CHEDMO C=CCCO[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001224342245 1135441896 /nfs/dbraw/zinc/44/18/96/1135441896.db2.gz RGDCJMSFOOVPEB-QGZVFWFLSA-N 1 1 273.420 3.880 20 30 CHEDMO C=CCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224506589 1135454672 /nfs/dbraw/zinc/45/46/72/1135454672.db2.gz XBJLGRYDVHQEMU-JQHSSLGASA-N 1 1 293.451 3.724 20 30 CHEDMO CC1(C)CC(CO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001224770734 1135480553 /nfs/dbraw/zinc/48/05/53/1135480553.db2.gz ZSFRTBLAKZKQCO-GOSISDBHSA-N 1 1 298.430 3.585 20 30 CHEDMO CC1(C)CC(CO[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001224770734 1135480554 /nfs/dbraw/zinc/48/05/54/1135480554.db2.gz ZSFRTBLAKZKQCO-GOSISDBHSA-N 1 1 298.430 3.585 20 30 CHEDMO C=C(C)n1c2ccccc2nc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226219767 1135673823 /nfs/dbraw/zinc/67/38/23/1135673823.db2.gz ZGXDFCBOEFYAMA-OAHLLOKOSA-N 1 1 299.418 3.779 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCC(F)(F)CC1 ZINC000336589833 529983373 /nfs/dbraw/zinc/98/33/73/529983373.db2.gz SWEBSSDXQNYTIR-UHFFFAOYSA-N 1 1 282.309 3.707 20 30 CHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1CCC(F)(F)CC1 ZINC000347623504 529984522 /nfs/dbraw/zinc/98/45/22/529984522.db2.gz YPXIOZZMSNBFGI-UHFFFAOYSA-N 1 1 278.346 3.762 20 30 CHEDMO CC(C)c1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC000341954766 535376758 /nfs/dbraw/zinc/37/67/58/535376758.db2.gz UHURFRCAFOHDFY-UHFFFAOYSA-N 1 1 257.362 3.750 20 30 CHEDMO C=CCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000574404238 335016939 /nfs/dbraw/zinc/01/69/39/335016939.db2.gz 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C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000179908967 260079810 /nfs/dbraw/zinc/07/98/10/260079810.db2.gz NSBBUYYIVBOEQB-MRXNPFEDSA-N 1 1 268.385 3.739 20 30 CHEDMO CCOc1ccccc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000180040025 260090048 /nfs/dbraw/zinc/09/00/48/260090048.db2.gz XFOUVRFHPHBLBC-UHFFFAOYSA-N 1 1 274.408 3.847 20 30 CHEDMO C[N@H+](CCCC#N)Cc1cccc(Cl)c1Cl ZINC000052922700 260212594 /nfs/dbraw/zinc/21/25/94/260212594.db2.gz YDDDNARCAWZAET-UHFFFAOYSA-N 1 1 257.164 3.729 20 30 CHEDMO C[N@@H+](CCCC#N)Cc1cccc(Cl)c1Cl ZINC000052922700 260212596 /nfs/dbraw/zinc/21/25/96/260212596.db2.gz YDDDNARCAWZAET-UHFFFAOYSA-N 1 1 257.164 3.729 20 30 CHEDMO Cc1ccccc1CCC[N@@H+](CCC#N)CC1CC1 ZINC000084678390 260366384 /nfs/dbraw/zinc/36/63/84/260366384.db2.gz AGUDUYQTWREGJW-UHFFFAOYSA-N 1 1 256.393 3.553 20 30 CHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000130430238 260396259 /nfs/dbraw/zinc/39/62/59/260396259.db2.gz GJGHUMBFTQLXSI-LBPRGKRZSA-N 1 1 286.400 3.821 20 30 CHEDMO CCC[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCCCO1 ZINC000409445764 260406878 /nfs/dbraw/zinc/40/68/78/260406878.db2.gz CUTJCHQJTDLVCN-OAHLLOKOSA-N 1 1 266.429 3.597 20 30 CHEDMO CSC[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135476860 260920122 /nfs/dbraw/zinc/92/01/22/260920122.db2.gz OYNCHEWRVSIKER-OAHLLOKOSA-N 1 1 288.460 3.815 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)CC(C)(C)CCC#N ZINC000154251464 261089696 /nfs/dbraw/zinc/08/96/96/261089696.db2.gz AWXYQZWCDSAEPF-UHFFFAOYSA-N 1 1 258.409 3.881 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)s1 ZINC000155071415 261097581 /nfs/dbraw/zinc/09/75/81/261097581.db2.gz QAJMKARXTMWPPF-AWEZNQCLSA-N 1 1 268.385 3.609 20 30 CHEDMO CC[N@@H+](Cc1cc2ccccc2c(OC)c1)C[C@H](C)C#N ZINC000449015698 261097784 /nfs/dbraw/zinc/09/77/84/261097784.db2.gz LOXJWONCPFUWPV-CQSZACIVSA-N 1 1 282.387 3.830 20 30 CHEDMO CC[N@H+](Cc1cc2ccccc2c(OC)c1)C[C@H](C)C#N ZINC000449015698 261097786 /nfs/dbraw/zinc/09/77/86/261097786.db2.gz LOXJWONCPFUWPV-CQSZACIVSA-N 1 1 282.387 3.830 20 30 CHEDMO Cc1cnc(CC[N@H+](C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000157563052 261148693 /nfs/dbraw/zinc/14/86/93/261148693.db2.gz KQIDYNUYYHXUII-CYBMUJFWSA-N 1 1 285.416 3.559 20 30 CHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000174880608 261201127 /nfs/dbraw/zinc/20/11/27/261201127.db2.gz OUXPFUQLNLRJKR-KGLIPLIRSA-N 1 1 268.470 3.922 20 30 CHEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301272996 261331184 /nfs/dbraw/zinc/33/11/84/261331184.db2.gz RFFIPVWSTLNGCE-AWEZNQCLSA-N 1 1 297.377 3.630 20 30 CHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCC(C)(C)C#N ZINC000174843505 261585833 /nfs/dbraw/zinc/58/58/33/261585833.db2.gz ODMSURBGIOYIIP-DOTOQJQBSA-N 1 1 286.419 3.778 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000177198082 261691888 /nfs/dbraw/zinc/69/18/88/261691888.db2.gz PLYBWUOTFOEZQH-JKSUJKDBSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)o1 ZINC000093003705 262056820 /nfs/dbraw/zinc/05/68/20/262056820.db2.gz PVVAYVJBTPOMFJ-INIZCTEOSA-N 1 1 280.371 3.921 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000497201594 262104180 /nfs/dbraw/zinc/10/41/80/262104180.db2.gz VVKMERWZDKWPMO-UHFFFAOYSA-N 1 1 286.331 3.863 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000364357260 262214893 /nfs/dbraw/zinc/21/48/93/262214893.db2.gz UUTQGAJLCKSLSJ-QGZVFWFLSA-N 1 1 285.435 3.893 20 30 CHEDMO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000020143234 262231224 /nfs/dbraw/zinc/23/12/24/262231224.db2.gz GVCYYKZEIFXYST-ZDUSSCGKSA-N 1 1 285.435 3.518 20 30 CHEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365234088 262353213 /nfs/dbraw/zinc/35/32/13/262353213.db2.gz MKFYGVVJOGSPOW-GOSISDBHSA-N 1 1 291.394 3.536 20 30 CHEDMO CCSCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336803836 262395690 /nfs/dbraw/zinc/39/56/90/262395690.db2.gz ZXLQSOUEBDANQQ-CVEARBPZSA-N 1 1 274.433 3.511 20 30 CHEDMO CCN1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827826 262398135 /nfs/dbraw/zinc/39/81/35/262398135.db2.gz KCGGQIPQQILJJY-HOTGVXAUSA-N 1 1 279.472 3.511 20 30 CHEDMO CCN1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827826 262398136 /nfs/dbraw/zinc/39/81/36/262398136.db2.gz KCGGQIPQQILJJY-HOTGVXAUSA-N 1 1 279.472 3.511 20 30 CHEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCSCC#N ZINC000266754412 262919012 /nfs/dbraw/zinc/91/90/12/262919012.db2.gz RHYXREATPJBKDH-CQSZACIVSA-N 1 1 262.422 3.635 20 30 CHEDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1C#N ZINC000218081521 262947085 /nfs/dbraw/zinc/94/70/85/262947085.db2.gz AIGIUJIKTZQFID-NSHDSACASA-N 1 1 299.340 3.719 20 30 CHEDMO CC[N@@H+](CCc1cccs1)CCC(C)(C)C#N ZINC000272047839 263001779 /nfs/dbraw/zinc/00/17/79/263001779.db2.gz SNMOYVIYQYDAAE-UHFFFAOYSA-N 1 1 250.411 3.552 20 30 CHEDMO CC1(C#N)CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000272607168 263007645 /nfs/dbraw/zinc/00/76/45/263007645.db2.gz RPMQIRDOIZHYLU-UHFFFAOYSA-N 1 1 280.774 3.647 20 30 CHEDMO CC(C)COC[C@@H]([NH2+]CCC(C)(C)C#N)c1ccco1 ZINC000273495681 263017422 /nfs/dbraw/zinc/01/74/22/263017422.db2.gz LOJFJOVOSRTBEG-CQSZACIVSA-N 1 1 278.396 3.523 20 30 CHEDMO Cc1ccc2c(C)cc(N3CCC(C)(C#N)CC3)[nH+]c2c1 ZINC000274010665 263020785 /nfs/dbraw/zinc/02/07/85/263020785.db2.gz BPUCESJNABRDBU-UHFFFAOYSA-N 1 1 279.387 3.982 20 30 CHEDMO C[N@@H+](CCCCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276260415 263035260 /nfs/dbraw/zinc/03/52/60/263035260.db2.gz AXWZZAUBRPMQLZ-SFHVURJKSA-N 1 1 284.403 3.651 20 30 CHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC#Cc1ccc(F)cc1 ZINC000438175372 263046708 /nfs/dbraw/zinc/04/67/08/263046708.db2.gz INOUQMLGHCPSJA-UWWQBHOKSA-N 1 1 271.379 3.830 20 30 CHEDMO C[C@@H]([NH2+]CCCC#N)c1cc(Cl)c(Cl)cc1O ZINC000278387481 263047768 /nfs/dbraw/zinc/04/77/68/263047768.db2.gz DLSDYLQDIFTEEM-MRVPVSSYSA-N 1 1 273.163 3.653 20 30 CHEDMO C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278746284 263050387 /nfs/dbraw/zinc/05/03/87/263050387.db2.gz WTNOYPLTEWAVBF-OCCSQVGLSA-N 1 1 293.208 3.573 20 30 CHEDMO CSc1ccccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000281770109 263071898 /nfs/dbraw/zinc/07/18/98/263071898.db2.gz SGXFBKVQWVDEED-STQMWFEESA-N 1 1 273.405 3.503 20 30 CHEDMO CCCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1O ZINC000283047601 263080721 /nfs/dbraw/zinc/08/07/21/263080721.db2.gz OLXJMCKHABWBCI-UHFFFAOYSA-N 1 1 284.359 3.659 20 30 CHEDMO N#CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285365108 263092514 /nfs/dbraw/zinc/09/25/14/263092514.db2.gz FNEKHCAXJRVODJ-BBWFWOEESA-N 1 1 254.377 3.558 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000340240648 263099588 /nfs/dbraw/zinc/09/95/88/263099588.db2.gz UWFWQAMSYDGTCO-ZDUSSCGKSA-N 1 1 286.350 3.636 20 30 CHEDMO CC1=C[C@H](C)C[C@H](C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000290312019 263116214 /nfs/dbraw/zinc/11/62/14/263116214.db2.gz AQOFZZKRHJARCF-YJBOKZPZSA-N 1 1 283.419 3.790 20 30 CHEDMO CC1=C[C@H](C)C[C@H](C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000290312019 263116215 /nfs/dbraw/zinc/11/62/15/263116215.db2.gz AQOFZZKRHJARCF-YJBOKZPZSA-N 1 1 283.419 3.790 20 30 CHEDMO N#CCCOCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000292693534 263133811 /nfs/dbraw/zinc/13/38/11/263133811.db2.gz AOHGUHSRZCAJHJ-LJQANCHMSA-N 1 1 294.398 3.907 20 30 CHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000292756845 263134647 /nfs/dbraw/zinc/13/46/47/263134647.db2.gz IMEOSPGWIHBBKR-YALNPMBYSA-N 1 1 254.377 3.557 20 30 CHEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000292868968 263135959 /nfs/dbraw/zinc/13/59/59/263135959.db2.gz SDDDQYLAQLQKRO-GOSISDBHSA-N 1 1 297.402 3.625 20 30 CHEDMO CCOc1ccc(C2=CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293715982 263147860 /nfs/dbraw/zinc/14/78/60/263147860.db2.gz FFNUANAALDWXHS-CRAIPNDOSA-N 1 1 296.414 3.867 20 30 CHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000293951021 263153063 /nfs/dbraw/zinc/15/30/63/263153063.db2.gz BTDDDMRJEDGFDQ-IDCNUPLLSA-N 1 1 268.404 3.865 20 30 CHEDMO N#CCCC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450571 263155060 /nfs/dbraw/zinc/15/50/60/263155060.db2.gz NNOGPOFNBACNFW-FHWLQOOXSA-N 1 1 297.446 3.638 20 30 CHEDMO N#CCCC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450571 263155063 /nfs/dbraw/zinc/15/50/63/263155063.db2.gz NNOGPOFNBACNFW-FHWLQOOXSA-N 1 1 297.446 3.638 20 30 CHEDMO CSc1ccccc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000294076861 263155521 /nfs/dbraw/zinc/15/55/21/263155521.db2.gz KZZJCHTXVMUTKJ-GXTWGEPZSA-N 1 1 260.406 3.533 20 30 CHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCCC#N ZINC000296584678 263193696 /nfs/dbraw/zinc/19/36/96/263193696.db2.gz FCLKGMWOFDWFNR-VYDXJSESSA-N 1 1 256.393 3.947 20 30 CHEDMO CC[N@H+](CCC#N)[C@H](C)c1ccc(Br)cc1 ZINC000299418941 263241701 /nfs/dbraw/zinc/24/17/01/263241701.db2.gz RHFCFRFVDCQZOF-LLVKDONJSA-N 1 1 281.197 3.746 20 30 CHEDMO CC[N@@H+](CCC#N)[C@H](C)c1ccc(Br)cc1 ZINC000299418941 263241703 /nfs/dbraw/zinc/24/17/03/263241703.db2.gz RHFCFRFVDCQZOF-LLVKDONJSA-N 1 1 281.197 3.746 20 30 CHEDMO CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)CCC#N)c1 ZINC000299563572 263247664 /nfs/dbraw/zinc/24/76/64/263247664.db2.gz GVDFZZDTDVDRND-AWEZNQCLSA-N 1 1 260.381 3.598 20 30 CHEDMO C=C(C)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126102388 264121983 /nfs/dbraw/zinc/12/19/83/264121983.db2.gz SKZADEBHWMSAGV-SFHVURJKSA-N 1 1 291.398 3.828 20 30 CHEDMO CC[C@@H]1C[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000425363106 264136063 /nfs/dbraw/zinc/13/60/63/264136063.db2.gz ASGVYNVJLQGRGW-QILLFSRXSA-N 1 1 286.419 3.756 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425371440 264202264 /nfs/dbraw/zinc/20/22/64/264202264.db2.gz LLKOWIKZGUSXOF-MRXNPFEDSA-N 1 1 290.451 3.597 20 30 CHEDMO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000425374184 264202736 /nfs/dbraw/zinc/20/27/36/264202736.db2.gz RJXUPPUKYOEKLA-HNNXBMFYSA-N 1 1 297.427 3.988 20 30 CHEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000425374184 264202737 /nfs/dbraw/zinc/20/27/37/264202737.db2.gz RJXUPPUKYOEKLA-HNNXBMFYSA-N 1 1 297.427 3.988 20 30 CHEDMO CC1(C)C[C@H](c2ccccc2)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000425374185 264202781 /nfs/dbraw/zinc/20/27/81/264202781.db2.gz RJXUPPUKYOEKLA-OAHLLOKOSA-N 1 1 297.427 3.988 20 30 CHEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000425374185 264202782 /nfs/dbraw/zinc/20/27/82/264202782.db2.gz RJXUPPUKYOEKLA-OAHLLOKOSA-N 1 1 297.427 3.988 20 30 CHEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000076736559 264344161 /nfs/dbraw/zinc/34/41/61/264344161.db2.gz FYKUAZUBPMKWCL-UHFFFAOYSA-N 1 1 262.378 3.801 20 30 CHEDMO CC(C)[C@H](C[NH2+]CC(C)(C)CCC#N)N1CCCCCC1 ZINC000343283470 264351167 /nfs/dbraw/zinc/35/11/67/264351167.db2.gz KCVPBBMGCZJLHI-KRWDZBQOSA-N 1 1 293.499 3.807 20 30 CHEDMO CC(C)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356056759 266055933 /nfs/dbraw/zinc/05/59/33/266055933.db2.gz DEQLTTYHSVKNJR-UHFFFAOYSA-N 1 1 270.298 3.665 20 30 CHEDMO Cc1ccccc1C1CC([N@H+](CCC#N)C2CC2)C1 ZINC000357782843 266361529 /nfs/dbraw/zinc/36/15/29/266361529.db2.gz RMXKAAXRTIJUCH-UHFFFAOYSA-N 1 1 254.377 3.619 20 30 CHEDMO Cc1ccccc1C1CC([N@@H+](CCC#N)C2CC2)C1 ZINC000357782843 266361532 /nfs/dbraw/zinc/36/15/32/266361532.db2.gz RMXKAAXRTIJUCH-UHFFFAOYSA-N 1 1 254.377 3.619 20 30 CHEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)o1)[C@@H]2C ZINC000359308288 266562938 /nfs/dbraw/zinc/56/29/38/266562938.db2.gz ZEIRGVAZJFTFMZ-CHWSQXEVSA-N 1 1 296.370 3.668 20 30 CHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)o1)[C@@H]2C ZINC000359308288 266562941 /nfs/dbraw/zinc/56/29/41/266562941.db2.gz ZEIRGVAZJFTFMZ-CHWSQXEVSA-N 1 1 296.370 3.668 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)c(F)c1)CC1CCC1 ZINC000193203848 266648258 /nfs/dbraw/zinc/64/82/58/266648258.db2.gz OLMLLDIBMQGKKR-UHFFFAOYSA-N 1 1 260.356 3.708 20 30 CHEDMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000363285371 267085203 /nfs/dbraw/zinc/08/52/03/267085203.db2.gz JIVBLGMOPBKEGL-FUHWJXTLSA-N 1 1 295.386 3.563 20 30 CHEDMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000363285371 267085207 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CCC[N@@H+](CCc1ccncc1C)Cc1ccc(C#N)cc1 ZINC000573242854 327129365 /nfs/dbraw/zinc/12/93/65/327129365.db2.gz HUTXOHRIGBTHQZ-UHFFFAOYSA-N 1 1 293.414 3.716 20 30 CHEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000092224361 327190407 /nfs/dbraw/zinc/19/04/07/327190407.db2.gz LCWMRVRGQRRKNO-QGZVFWFLSA-N 1 1 283.350 3.675 20 30 CHEDMO C[N@@H+](CCCCC#N)CCCOc1ccc(Cl)cc1 ZINC000102397658 327227003 /nfs/dbraw/zinc/22/70/03/327227003.db2.gz FWXCMRFAQWMLDW-UHFFFAOYSA-N 1 1 280.799 3.735 20 30 CHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000042373854 327237389 /nfs/dbraw/zinc/23/73/89/327237389.db2.gz KXMMZFFPPOFBFM-DOMZBBRYSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000042373856 327237446 /nfs/dbraw/zinc/23/74/46/327237446.db2.gz KXMMZFFPPOFBFM-IUODEOHRSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCCCC#N)C1 ZINC000113265319 327290464 /nfs/dbraw/zinc/29/04/64/327290464.db2.gz UYJAQCOMCPOFFU-KRWDZBQOSA-N 1 1 256.393 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ZINC000276494397 330113422 /nfs/dbraw/zinc/11/34/22/330113422.db2.gz VJVDTHCPKNWMMT-UHFFFAOYSA-N 1 1 274.408 3.530 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000276454373 330113509 /nfs/dbraw/zinc/11/35/09/330113509.db2.gz PXCQCKBIYSNGPA-SNVBAGLBSA-N 1 1 291.420 3.583 20 30 CHEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000276506899 330114093 /nfs/dbraw/zinc/11/40/93/330114093.db2.gz WXHVWWJKZZDSBO-LBPRGKRZSA-N 1 1 289.354 3.753 20 30 CHEDMO C=CCCCCC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000278889709 330120839 /nfs/dbraw/zinc/12/08/39/330120839.db2.gz QEBBJQLAWVMWGA-UHFFFAOYSA-N 1 1 261.413 3.644 20 30 CHEDMO C=CCC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000423387448 330199815 /nfs/dbraw/zinc/19/98/15/330199815.db2.gz MUYLNCPKYIJVAE-QGZVFWFLSA-N 1 1 282.387 3.680 20 30 CHEDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccn1 ZINC000527537579 330260695 /nfs/dbraw/zinc/26/06/95/330260695.db2.gz CVWPUNPRSREWAP-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO 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CHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(F)c1F ZINC000538232250 333580323 /nfs/dbraw/zinc/58/03/23/333580323.db2.gz WGMMGYHDAGVJAN-SNVBAGLBSA-N 1 1 290.288 3.826 20 30 CHEDMO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000174545546 335158674 /nfs/dbraw/zinc/15/86/74/335158674.db2.gz OOGPBXIMRSLPRN-OAHLLOKOSA-N 1 1 283.400 3.564 20 30 CHEDMO C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cccc(C#N)c1 ZINC000540607694 333737809 /nfs/dbraw/zinc/73/78/09/333737809.db2.gz URHCXLCEGIINLB-ZBEGNZNMSA-N 1 1 298.773 3.996 20 30 CHEDMO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nccs1 ZINC000542522340 333830733 /nfs/dbraw/zinc/83/07/33/333830733.db2.gz UKLVNMBWKZQBSX-CQSZACIVSA-N 1 1 290.819 3.889 20 30 CHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CC1(C)C ZINC000546124440 334015809 /nfs/dbraw/zinc/01/58/09/334015809.db2.gz DMJGJCQGONIETA-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO C=CCOc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)cc1 ZINC000546634713 334042439 /nfs/dbraw/zinc/04/24/39/334042439.db2.gz YYUXIVGRVUVJKR-QGZVFWFLSA-N 1 1 299.345 3.614 20 30 CHEDMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000237363362 334087367 /nfs/dbraw/zinc/08/73/67/334087367.db2.gz CDVUQOYMCDWCDN-ABAIWWIYSA-N 1 1 284.334 3.704 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000134725777 334101764 /nfs/dbraw/zinc/10/17/64/334101764.db2.gz QNTCJHHHZVVCJV-INIZCTEOSA-N 1 1 272.392 3.592 20 30 CHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000548075525 334138428 /nfs/dbraw/zinc/13/84/28/334138428.db2.gz RSLVVKWCGKPEPZ-IRXDYDNUSA-N 1 1 256.393 3.959 20 30 CHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000548075524 334138459 /nfs/dbraw/zinc/13/84/59/334138459.db2.gz RSLVVKWCGKPEPZ-IAGOWNOFSA-N 1 1 256.393 3.959 20 30 CHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H]1c1ccccc1 ZINC000245713144 334214435 /nfs/dbraw/zinc/21/44/35/334214435.db2.gz GKGRSPJBXLNEKI-BLLLJJGKSA-N 1 1 268.385 3.813 20 30 CHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1 ZINC000246183163 334238998 /nfs/dbraw/zinc/23/89/98/334238998.db2.gz RTTNYILUPRNQMC-KBRIMQKVSA-N 1 1 254.377 3.711 20 30 CHEDMO CC[N@@H+](CCn1ccc2cc(Cl)ccc21)C[C@H](C)C#N ZINC000564384384 334267522 /nfs/dbraw/zinc/26/75/22/334267522.db2.gz OLIZVHHURWWTCO-CYBMUJFWSA-N 1 1 289.810 3.776 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000248443355 334302061 /nfs/dbraw/zinc/30/20/61/334302061.db2.gz VSXKGMVKUUXXDN-COXVUDFISA-N 1 1 254.377 3.569 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000248443359 334302124 /nfs/dbraw/zinc/30/21/24/334302124.db2.gz VSXKGMVKUUXXDN-XOKHGSTOSA-N 1 1 254.377 3.569 20 30 CHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)c1cccc(Cl)c1 ZINC000249175986 334329578 /nfs/dbraw/zinc/32/95/78/334329578.db2.gz FDGFKKRRSDUNJC-STQMWFEESA-N 1 1 264.800 3.925 20 30 CHEDMO C=CCC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)C1CC1 ZINC000089512945 334346126 /nfs/dbraw/zinc/34/61/26/334346126.db2.gz YEZXYKNGFJEEPQ-INIZCTEOSA-N 1 1 264.457 3.584 20 30 CHEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000165379011 334895850 /nfs/dbraw/zinc/89/58/50/334895850.db2.gz YEWJJAWCEPODEX-ZNMIVQPWSA-N 1 1 299.418 3.912 20 30 CHEDMO CCc1ccc([C@@H]2C[N@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000576733945 335241257 /nfs/dbraw/zinc/24/12/57/335241257.db2.gz JTEZLHHROGPPCV-KRWDZBQOSA-N 1 1 286.419 3.562 20 30 CHEDMO CCc1ccc([C@@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000576733945 335241258 /nfs/dbraw/zinc/24/12/58/335241258.db2.gz JTEZLHHROGPPCV-KRWDZBQOSA-N 1 1 286.419 3.562 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)c1cccnc1 ZINC000576743832 335242074 /nfs/dbraw/zinc/24/20/74/335242074.db2.gz HLMKVWRFAYSZAT-OAHLLOKOSA-N 1 1 279.387 3.845 20 30 CHEDMO CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C)cs1 ZINC000177697427 335379677 /nfs/dbraw/zinc/37/96/77/335379677.db2.gz LSMIGTOCJDGWHD-LBPRGKRZSA-N 1 1 277.418 3.626 20 30 CHEDMO CCC(CC)c1cc(C[NH2+]Cc2cc(C#N)cs2)on1 ZINC000177706261 335380151 /nfs/dbraw/zinc/38/01/51/335380151.db2.gz MVTWZHRVYJEKOB-UHFFFAOYSA-N 1 1 289.404 3.801 20 30 CHEDMO CC[C@@](C)([NH2+]Cc1cc(C#N)cs1)c1nc(C)cs1 ZINC000177705904 335380215 /nfs/dbraw/zinc/38/02/15/335380215.db2.gz BRSRBLHZTNCMHA-CQSZACIVSA-N 1 1 291.445 3.800 20 30 CHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000349428787 335467280 /nfs/dbraw/zinc/46/72/80/335467280.db2.gz ZLJFJNRBQYQDAP-UKPHBRMFSA-N 1 1 266.344 3.651 20 30 CHEDMO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000180712467 335618960 /nfs/dbraw/zinc/61/89/60/335618960.db2.gz IKTWHCLRUGTURM-ZDUSSCGKSA-N 1 1 298.361 3.947 20 30 CHEDMO C=CCCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000581052936 336001363 /nfs/dbraw/zinc/00/13/63/336001363.db2.gz SBYIDRVWDIPJIN-JKSUJKDBSA-N 1 1 291.460 3.843 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1F ZINC000383233772 336106370 /nfs/dbraw/zinc/10/63/70/336106370.db2.gz CPNGMYKFSBHEET-UHFFFAOYSA-N 1 1 272.367 3.854 20 30 CHEDMO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000383384057 336108349 /nfs/dbraw/zinc/10/83/49/336108349.db2.gz HDLSAUGYJXXGSE-GHMZBOCLSA-N 1 1 293.208 3.551 20 30 CHEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000383384057 336108350 /nfs/dbraw/zinc/10/83/50/336108350.db2.gz HDLSAUGYJXXGSE-GHMZBOCLSA-N 1 1 293.208 3.551 20 30 CHEDMO COc1cc(C[N@H+]2CCC3(C2)CCCCC3)ccc1C#N ZINC000385875112 336158524 /nfs/dbraw/zinc/15/85/24/336158524.db2.gz OGUIIHWPESWLCS-UHFFFAOYSA-N 1 1 284.403 3.723 20 30 CHEDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000356109798 533716175 /nfs/dbraw/zinc/71/61/75/533716175.db2.gz ALYFXPTVKFFSQZ-MRXNPFEDSA-N 1 1 297.427 3.969 20 30 CHEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000356109798 533716183 /nfs/dbraw/zinc/71/61/83/533716183.db2.gz ALYFXPTVKFFSQZ-MRXNPFEDSA-N 1 1 297.427 3.969 20 30 CHEDMO Cc1cc(F)ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000353422858 533878524 /nfs/dbraw/zinc/87/85/24/533878524.db2.gz ONDXSJZSNMBNDA-UHFFFAOYSA-N 1 1 262.372 3.896 20 30 CHEDMO Cc1cc(F)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353422858 533878535 /nfs/dbraw/zinc/87/85/35/533878535.db2.gz ONDXSJZSNMBNDA-UHFFFAOYSA-N 1 1 262.372 3.896 20 30 CHEDMO CC(C)[N@@H+](Cc1ccco1)Cc1cccc(C#N)c1 ZINC000299400486 519660476 /nfs/dbraw/zinc/66/04/76/519660476.db2.gz VQSOCYRKERSYIX-UHFFFAOYSA-N 1 1 254.333 3.562 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000339294771 519718361 /nfs/dbraw/zinc/71/83/61/519718361.db2.gz YFONEYIRCSANSC-UHFFFAOYSA-N 1 1 279.387 3.611 20 30 CHEDMO CC[N@@H+](CCc1scnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000074350228 521184371 /nfs/dbraw/zinc/18/43/71/521184371.db2.gz VHUHSFJILXHRLP-AWEZNQCLSA-N 1 1 299.443 3.949 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000080932840 521298484 /nfs/dbraw/zinc/29/84/84/521298484.db2.gz PNRBREWOHGGOQS-CQSZACIVSA-N 1 1 280.371 3.847 20 30 CHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccnc1 ZINC000290387364 521299225 /nfs/dbraw/zinc/29/92/25/521299225.db2.gz INYXSQSHYYDZMU-CQSZACIVSA-N 1 1 295.386 3.545 20 30 CHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000072901752 521715243 /nfs/dbraw/zinc/71/52/43/521715243.db2.gz XYMRGCQFHKDDHO-ZDUSSCGKSA-N 1 1 262.422 3.522 20 30 CHEDMO CCSc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000291762340 521755967 /nfs/dbraw/zinc/75/59/67/521755967.db2.gz RQJIVUJMGACJED-UHFFFAOYSA-N 1 1 272.373 3.553 20 30 CHEDMO COCC[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000339864229 521982022 /nfs/dbraw/zinc/98/20/22/521982022.db2.gz DCLQPKBFIJCBDM-LJQANCHMSA-N 1 1 294.398 3.768 20 30 CHEDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000280588970 523806727 /nfs/dbraw/zinc/80/67/27/523806727.db2.gz UEFMUFBPSBCYTC-YOEHRIQHSA-N 1 1 272.392 3.510 20 30 CHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000066852357 525161330 /nfs/dbraw/zinc/16/13/30/525161330.db2.gz MSMWOCXQGMYDCX-BEFAXECRSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000066852357 525161338 /nfs/dbraw/zinc/16/13/38/525161338.db2.gz MSMWOCXQGMYDCX-BEFAXECRSA-N 1 1 292.382 3.520 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289408635 526068599 /nfs/dbraw/zinc/06/85/99/526068599.db2.gz SUASEQNPVKQOKN-HNNXBMFYSA-N 1 1 289.382 3.804 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289780185 526073349 /nfs/dbraw/zinc/07/33/49/526073349.db2.gz MPTSXWGHCMVMKN-XOKHGSTOSA-N 1 1 284.403 3.509 20 30 CHEDMO C[C@H](c1ccco1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000086233388 526146553 /nfs/dbraw/zinc/14/65/53/526146553.db2.gz RDDVPVYGDRPCBS-CYBMUJFWSA-N 1 1 266.344 3.877 20 30 CHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccccc2o1 ZINC000352702555 526326487 /nfs/dbraw/zinc/32/64/87/526326487.db2.gz ZFLUVVPWGNTKLG-UHFFFAOYSA-N 1 1 282.343 3.652 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(CC)nc1 ZINC000347648918 526339976 /nfs/dbraw/zinc/33/99/76/526339976.db2.gz YZMLLGMALSBKED-UHFFFAOYSA-N 1 1 296.414 3.841 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(CC)nc1 ZINC000347648918 526339984 /nfs/dbraw/zinc/33/99/84/526339984.db2.gz YZMLLGMALSBKED-UHFFFAOYSA-N 1 1 296.414 3.841 20 30 CHEDMO C=C(C)CC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000352016820 526440485 /nfs/dbraw/zinc/44/04/85/526440485.db2.gz ZYQMYJROSUKMCC-GFCCVEGCSA-N 1 1 252.427 3.973 20 30 CHEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000353149971 526505219 /nfs/dbraw/zinc/50/52/19/526505219.db2.gz IIWFKXZTEDXQKG-UHFFFAOYSA-N 1 1 262.378 3.719 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)s1 ZINC000289482825 526609399 /nfs/dbraw/zinc/60/93/99/526609399.db2.gz QRMRAUFKZBYCHI-UHFFFAOYSA-N 1 1 298.411 3.738 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccsc2)C2CC2)cc1 ZINC000048349411 526609519 /nfs/dbraw/zinc/60/95/19/526609519.db2.gz BCYZUUJLRDJZDH-UHFFFAOYSA-N 1 1 268.385 3.784 20 30 CHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000299590897 526610325 /nfs/dbraw/zinc/61/03/25/526610325.db2.gz WGERCYRTXNHJLT-UHFFFAOYSA-N 1 1 292.382 3.676 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1F ZINC000340887446 526705745 /nfs/dbraw/zinc/70/57/45/526705745.db2.gz ZKWAUTLSWUOJAD-HUUCEWRRSA-N 1 1 290.407 3.557 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1F ZINC000340885692 526705778 /nfs/dbraw/zinc/70/57/78/526705778.db2.gz YIHGLFSOCKJFPL-MRXNPFEDSA-N 1 1 266.319 3.644 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2c2ccccc2)c1F ZINC000340885692 526705781 /nfs/dbraw/zinc/70/57/81/526705781.db2.gz YIHGLFSOCKJFPL-MRXNPFEDSA-N 1 1 266.319 3.644 20 30 CHEDMO C=CCOCCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000347964858 526749714 /nfs/dbraw/zinc/74/97/14/526749714.db2.gz LMRBEPVDEQPJBA-PBHICJAKSA-N 1 1 289.419 3.960 20 30 CHEDMO C=CCCC[N@H+](C)Cc1cscc1Br ZINC000347872386 527192454 /nfs/dbraw/zinc/19/24/54/527192454.db2.gz HLVCBLCMZBQKIL-UHFFFAOYSA-N 1 1 274.227 3.909 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccc(OCC=C)c(OC)c1 ZINC000353714640 527192511 /nfs/dbraw/zinc/19/25/11/527192511.db2.gz LAWFKGCDOLRAKH-UHFFFAOYSA-N 1 1 275.392 3.658 20 30 CHEDMO C=CCC[C@H]([NH2+]C[C@H](C)N(CC)CC)c1ccco1 ZINC000353586417 527485513 /nfs/dbraw/zinc/48/55/13/527485513.db2.gz ANYPUBDXEPWXOU-GJZGRUSLSA-N 1 1 264.413 3.607 20 30 CHEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1c[nH]c2ccccc12 ZINC000347170677 528406117 /nfs/dbraw/zinc/40/61/17/528406117.db2.gz PSFPPJTWJZOFCW-UHFFFAOYSA-N 1 1 269.392 3.930 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000353589504 529225307 /nfs/dbraw/zinc/22/53/07/529225307.db2.gz HDXYNMHRGQJHTK-INIZCTEOSA-N 1 1 274.433 3.666 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771622 1117973430 /nfs/dbraw/zinc/97/34/30/1117973430.db2.gz KADRNNIZGRPVCC-MRXNPFEDSA-N 1 1 278.440 3.597 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@](C)(CO)C1 ZINC001209442329 1118060263 /nfs/dbraw/zinc/06/02/63/1118060263.db2.gz FTEVBZKTZQUPJH-INIZCTEOSA-N 1 1 253.430 3.607 20 30 CHEDMO C=CCCCCCCC[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001209442439 1118060761 /nfs/dbraw/zinc/06/07/61/1118060761.db2.gz SFJBUSYOVOCRKJ-HOTGVXAUSA-N 1 1 251.414 3.624 20 30 CHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001209442221 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C=CC[C@@H]1CCC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000661381153 1120760138 /nfs/dbraw/zinc/76/01/38/1120760138.db2.gz WMPMEGPJNDSONT-QWHCGFSZSA-N 1 1 280.437 3.639 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544183973 1121620220 /nfs/dbraw/zinc/62/02/20/1121620220.db2.gz RZQVMUIJMWUGRK-BBRMVZONSA-N 1 1 256.393 3.987 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCSC[C@@H]1C ZINC001176828245 1121695506 /nfs/dbraw/zinc/69/55/06/1121695506.db2.gz PAFCMUJWZIDFNT-AWEZNQCLSA-N 1 1 274.433 3.503 20 30 CHEDMO C=CC[C@H]1[N@@H+]([C@H](C)C(=O)OCCCC)CCCC1(C)C ZINC001193921129 1122729465 /nfs/dbraw/zinc/72/94/65/1122729465.db2.gz UPHIKGULFHDRBY-HUUCEWRRSA-N 1 1 281.440 3.785 20 30 CHEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001194748212 1122795056 /nfs/dbraw/zinc/79/50/56/1122795056.db2.gz PGMJLUFITNYMAV-HNNXBMFYSA-N 1 1 284.444 3.556 20 30 CHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000426553800 1122820559 /nfs/dbraw/zinc/82/05/59/1122820559.db2.gz 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C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCC(C#N)CC1 ZINC001172849066 1132338527 /nfs/dbraw/zinc/33/85/27/1132338527.db2.gz JJNSOVKLBGPNBR-LLVKDONJSA-N 1 1 280.774 3.646 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2c1cccc2OC ZINC001231899870 1132397561 /nfs/dbraw/zinc/39/75/61/1132397561.db2.gz WIUVVGCXBKBJDY-UHFFFAOYSA-N 1 1 258.365 3.575 20 30 CHEDMO Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001233249594 1132589360 /nfs/dbraw/zinc/58/93/60/1132589360.db2.gz BQBAJKBUFOBRRU-ZDUSSCGKSA-N 1 1 262.784 3.774 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(O)c1Cl)C(C)(C)C ZINC001233401524 1132619335 /nfs/dbraw/zinc/61/93/35/1132619335.db2.gz CZVJHWUAXIXHHD-UHFFFAOYSA-N 1 1 283.799 3.841 20 30 CHEDMO C=C(C)C[N@@H+](CC)CC[C@@H](C)CCCC(C)(C)O ZINC001207678284 1133837433 /nfs/dbraw/zinc/83/74/33/1133837433.db2.gz IQGDJHPUMKZNLR-HNNXBMFYSA-N 1 1 255.446 3.852 20 30 CHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001208119733 1133880517 /nfs/dbraw/zinc/88/05/17/1133880517.db2.gz GJOWEKYTGFGVGK-GUFYHEMZSA-N 1 1 271.420 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DREFHBXZEADVKW-KRWDZBQOSA-N 1 1 294.483 3.703 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000536629487 1125511137 /nfs/dbraw/zinc/51/11/37/1125511137.db2.gz SEPLRZGRJVWPHT-HNNXBMFYSA-N 1 1 257.381 3.548 20 30 CHEDMO COc1ccc([C@H](C)[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000119597424 1125535761 /nfs/dbraw/zinc/53/57/61/1125535761.db2.gz SJEVFZGZBIGIEK-ZDUSSCGKSA-N 1 1 260.381 3.628 20 30 CHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000295042062 1125536951 /nfs/dbraw/zinc/53/69/51/1125536951.db2.gz OVRISVSXVRHJIP-RISCZKNCSA-N 1 1 282.309 3.721 20 30 CHEDMO CC[N@@H+](Cc1cncs1)[C@H](C)c1ccc(C#N)cc1 ZINC000119852791 1125537595 /nfs/dbraw/zinc/53/75/95/1125537595.db2.gz KZUUHQZVWWWFEE-GFCCVEGCSA-N 1 1 271.389 3.598 20 30 CHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000121011051 1125555755 /nfs/dbraw/zinc/55/57/55/1125555755.db2.gz VYGQESRCHYPRMW-NEPJUHHUSA-N 1 1 295.308 3.800 20 30 CHEDMO CC(=[NH+]OCCC(F)(F)F)c1c(C)cc(N)cc1C ZINC000884452443 1125564970 /nfs/dbraw/zinc/56/49/70/1125564970.db2.gz PVRJZLZSVVSYSA-UHFFFAOYSA-N 1 1 274.286 3.579 20 30 CHEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000509667590 1125574679 /nfs/dbraw/zinc/57/46/79/1125574679.db2.gz AMYQPQIDLUWHOB-XJKSGUPXSA-N 1 1 263.356 3.554 20 30 CHEDMO C=CCC1(O)CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000884723653 1125590451 /nfs/dbraw/zinc/59/04/51/1125590451.db2.gz SRDPBNZYDPTHNA-UHFFFAOYSA-N 1 1 296.414 3.759 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246066757 1125601587 /nfs/dbraw/zinc/60/15/87/1125601587.db2.gz BUBJUSSMUZRYLX-KGLIPLIRSA-N 1 1 266.454 3.676 20 30 CHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000072692538 1125634792 /nfs/dbraw/zinc/63/47/92/1125634792.db2.gz FYBNQVWLMALKRM-UHFFFAOYSA-N 1 1 289.379 3.747 20 30 CHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000072692538 1125634796 /nfs/dbraw/zinc/63/47/96/1125634796.db2.gz FYBNQVWLMALKRM-UHFFFAOYSA-N 1 1 289.379 3.747 20 30 CHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCCC#N ZINC000247515049 1125657779 /nfs/dbraw/zinc/65/77/79/1125657779.db2.gz KBVZJSRFDAMIQW-INMHGKMJSA-N 1 1 272.392 3.531 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886181637 1125660010 /nfs/dbraw/zinc/66/00/10/1125660010.db2.gz QHCPCEKTRFIMKI-SFHVURJKSA-N 1 1 298.430 3.510 20 30 CHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCc2ccccc2C1 ZINC000093438790 1125681640 /nfs/dbraw/zinc/68/16/40/1125681640.db2.gz ZAYFDDAERLNRDS-INIZCTEOSA-N 1 1 282.412 3.609 20 30 CHEDMO C[C@H]1CC[N@@H+](CCCSCC#N)[C@@H]1c1ccccc1 ZINC000886546058 1125689097 /nfs/dbraw/zinc/68/90/97/1125689097.db2.gz XIWUZFRVWDDEPF-HOCLYGCPSA-N 1 1 274.433 3.716 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)[C@@H]1c1ccccc1 ZINC000886546059 1125689166 /nfs/dbraw/zinc/68/91/66/1125689166.db2.gz XIWUZFRVWDDEPF-ZBFHGGJFSA-N 1 1 274.433 3.716 20 30 CHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000053316053 1125731551 /nfs/dbraw/zinc/73/15/51/1125731551.db2.gz FEXMEDQMQDLESL-UHFFFAOYSA-N 1 1 260.337 3.525 20 30 CHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192020872 1125732452 /nfs/dbraw/zinc/73/24/52/1125732452.db2.gz QFWUNLNUNQZJQB-HNNXBMFYSA-N 1 1 292.423 3.805 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192052656 1125736730 /nfs/dbraw/zinc/73/67/30/1125736730.db2.gz ADWBQOCTFMGCKV-GOSISDBHSA-N 1 1 297.377 3.763 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192052656 1125736738 /nfs/dbraw/zinc/73/67/38/1125736738.db2.gz ADWBQOCTFMGCKV-GOSISDBHSA-N 1 1 297.377 3.763 20 30 CHEDMO C[N@@H+](Cc1ccco1)Cc1cccc(OCCCC#N)c1 ZINC000162150778 1125737743 /nfs/dbraw/zinc/73/77/43/1125737743.db2.gz ZMNDJKKRPSFUIZ-UHFFFAOYSA-N 1 1 284.359 3.594 20 30 CHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1Cl ZINC000615092167 1125752342 /nfs/dbraw/zinc/75/23/42/1125752342.db2.gz DQMDWSKMMLCSFK-SNVBAGLBSA-N 1 1 289.741 3.597 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)o1 ZINC000093757012 1125772719 /nfs/dbraw/zinc/77/27/19/1125772719.db2.gz SRZKBFXTSXVXGE-AWEZNQCLSA-N 1 1 298.411 3.765 20 30 CHEDMO CCCCCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741722319 1129449310 /nfs/dbraw/zinc/44/93/10/1129449310.db2.gz FLAJBNHKWRNLJF-HOTGVXAUSA-N 1 1 282.472 3.726 20 30 CHEDMO C#CCCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000766902385 1129770043 /nfs/dbraw/zinc/77/00/43/1129770043.db2.gz HXPAIZRZGLHBKF-MSOLQXFVSA-N 1 1 255.405 3.976 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)C[C@@H](C)CC)cc1 ZINC000768766911 1129871010 /nfs/dbraw/zinc/87/10/10/1129871010.db2.gz LAZRYACNGTYSLF-HNNXBMFYSA-N 1 1 259.393 3.567 20 30 CHEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)c(F)c1 ZINC000903100235 1130111966 /nfs/dbraw/zinc/11/19/66/1130111966.db2.gz LAMVHKQBTAICCQ-VIFPVBQESA-N 1 1 299.187 3.789 20 30 CHEDMO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903102333 1130112739 /nfs/dbraw/zinc/11/27/39/1130112739.db2.gz WJVYAQCNXNEFSA-SNVBAGLBSA-N 1 1 266.772 3.549 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(Br)c1OC ZINC000481702026 1126707030 /nfs/dbraw/zinc/70/70/30/1126707030.db2.gz FTYMKALPWLPCPM-UHFFFAOYSA-N 1 1 298.224 3.856 20 30 CHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000481749089 1126712293 /nfs/dbraw/zinc/71/22/93/1126712293.db2.gz VZUPMCRXYPEDNQ-BXUZGUMPSA-N 1 1 282.309 3.721 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C2CCC2)cnn1C ZINC000667947117 1126715971 /nfs/dbraw/zinc/71/59/71/1126715971.db2.gz GUZFSQGQHXFZKB-UHFFFAOYSA-N 1 1 299.418 3.511 20 30 CHEDMO CCN(CCC[NH+](CC)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000338236973 1126726311 /nfs/dbraw/zinc/72/63/11/1126726311.db2.gz QCKHGMYBDSLPSB-INIZCTEOSA-N 1 1 287.451 3.673 20 30 CHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000338356860 1126738225 /nfs/dbraw/zinc/73/82/25/1126738225.db2.gz NSDMWNAYIYNGGR-UHFFFAOYSA-N 1 1 296.345 3.970 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ncnn2C(C)(C)C)CCCC1(C)C ZINC000338362767 1126738624 /nfs/dbraw/zinc/73/86/24/1126738624.db2.gz MVLFZEJPMVPBDV-CQSZACIVSA-N 1 1 290.455 3.600 20 30 CHEDMO C[N@@H+](CCc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000153004808 1126757588 /nfs/dbraw/zinc/75/75/88/1126757588.db2.gz ZLBZWYLLNTXGKT-UHFFFAOYSA-N 1 1 293.414 3.557 20 30 CHEDMO N#CC1(C[NH+]2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC000483121700 1126768234 /nfs/dbraw/zinc/76/82/34/1126768234.db2.gz QHIPXKNFCCAJIX-UHFFFAOYSA-N 1 1 274.795 3.823 20 30 CHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCC(C)(C)C1 ZINC000483110538 1126768729 /nfs/dbraw/zinc/76/87/29/1126768729.db2.gz NTFJIUMLVCLXOZ-INIZCTEOSA-N 1 1 259.368 3.688 20 30 CHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000174843254 1126773822 /nfs/dbraw/zinc/77/38/22/1126773822.db2.gz JHKDTWQDZZGULM-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000174843254 1126773824 /nfs/dbraw/zinc/77/38/24/1126773824.db2.gz JHKDTWQDZZGULM-INIZCTEOSA-N 1 1 290.382 3.529 20 30 CHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(Br)o1 ZINC000174819792 1126773893 /nfs/dbraw/zinc/77/38/93/1126773893.db2.gz VLDDVYHKHJVSGM-UHFFFAOYSA-N 1 1 299.212 3.804 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000483239570 1126774339 /nfs/dbraw/zinc/77/43/39/1126774339.db2.gz FWNOSWZZBAMXEO-UHFFFAOYSA-N 1 1 293.480 3.920 20 30 CHEDMO C=CCCCCC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000483239570 1126774341 /nfs/dbraw/zinc/77/43/41/1126774341.db2.gz FWNOSWZZBAMXEO-UHFFFAOYSA-N 1 1 293.480 3.920 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000174873830 1126774524 /nfs/dbraw/zinc/77/45/24/1126774524.db2.gz WRJCMSDNMDZRFO-KRWDZBQOSA-N 1 1 270.420 3.881 20 30 CHEDMO C[N@H+](CC#Cc1ccccc1)CCCc1ccccc1 ZINC000483517370 1126790533 /nfs/dbraw/zinc/79/05/33/1126790533.db2.gz SMVZNURSAXGRMQ-UHFFFAOYSA-N 1 1 263.384 3.603 20 30 CHEDMO C=CCOc1ccc(C[N@H+](CC=C)CCOC)cc1Cl ZINC000483435942 1126787446 /nfs/dbraw/zinc/78/74/46/1126787446.db2.gz YCHIRLWYKUUWGB-UHFFFAOYSA-N 1 1 295.810 3.539 20 30 CHEDMO C[C@H](c1ccccc1F)[N@H+](C)CC#Cc1ccccc1 ZINC000483529367 1126790776 /nfs/dbraw/zinc/79/07/76/1126790776.db2.gz PDWUHGCESORTEC-OAHLLOKOSA-N 1 1 267.347 3.870 20 30 CHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CC#Cc1ccccc1 ZINC000483529367 1126790778 /nfs/dbraw/zinc/79/07/78/1126790778.db2.gz PDWUHGCESORTEC-OAHLLOKOSA-N 1 1 267.347 3.870 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000483537111 1126792805 /nfs/dbraw/zinc/79/28/05/1126792805.db2.gz FRZHWMDGHLBVQQ-HXUWFJFHSA-N 1 1 275.395 3.745 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1F ZINC000483578489 1126793208 /nfs/dbraw/zinc/79/32/08/1126793208.db2.gz FIECWXBLVPMTOR-KWOWKCNFSA-N 1 1 284.378 3.708 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc2C1 ZINC000483961354 1126805864 /nfs/dbraw/zinc/80/58/64/1126805864.db2.gz PGGDJDYIPZZHQK-SFHVURJKSA-N 1 1 294.373 3.687 20 30 CHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000484080574 1126809669 /nfs/dbraw/zinc/80/96/69/1126809669.db2.gz ONSZKUYZIPKVMM-FQEVSTJZSA-N 1 1 290.410 3.615 20 30 CHEDMO CC[C@@H](CC#N)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001255173623 1130544821 /nfs/dbraw/zinc/54/48/21/1130544821.db2.gz NEDFLNWAFARLPX-AWEZNQCLSA-N 1 1 250.773 3.507 20 30 CHEDMO C=CC[N@H+](Cc1cn2ccsc2n1)CC1CCCCC1 ZINC000484545645 1126827099 /nfs/dbraw/zinc/82/70/99/1126827099.db2.gz VUUQYESFLZNMFZ-UHFFFAOYSA-N 1 1 289.448 3.964 20 30 CHEDMO Clc1ccc(C#CC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180728254 1126848693 /nfs/dbraw/zinc/84/86/93/1126848693.db2.gz FMWHSESFMYSCSF-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO Clc1ccc(C#CC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180728254 1126848696 /nfs/dbraw/zinc/84/86/96/1126848696.db2.gz FMWHSESFMYSCSF-UHFFFAOYSA-N 1 1 296.801 3.751 20 30 CHEDMO CC(C)CC[N@H+](CCC#N)CCCc1ccccc1 ZINC000484898781 1126854563 /nfs/dbraw/zinc/85/45/63/1126854563.db2.gz GHKQBJXWOOHCEC-UHFFFAOYSA-N 1 1 258.409 3.881 20 30 CHEDMO CC(C)(CCC#N)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000181447414 1126856087 /nfs/dbraw/zinc/85/60/87/1126856087.db2.gz BXMMIBJFRMGTFD-UHFFFAOYSA-N 1 1 260.356 3.514 20 30 CHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000904574561 1126860318 /nfs/dbraw/zinc/86/03/18/1126860318.db2.gz JUCRYYGEFNYUPI-ZDUSSCGKSA-N 1 1 282.347 3.574 20 30 CHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC000904723931 1126866725 /nfs/dbraw/zinc/86/67/25/1126866725.db2.gz IGUXLFGGZHUXOP-GFCCVEGCSA-N 1 1 295.745 3.885 20 30 CHEDMO C=CCCCCCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193511 1130723351 /nfs/dbraw/zinc/72/33/51/1130723351.db2.gz OBPQXLRCMYMLCS-QZTJIDSGSA-N 1 1 278.484 3.835 20 30 CHEDMO C=C(C)[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450899 1126906956 /nfs/dbraw/zinc/90/69/56/1126906956.db2.gz CZBVJZVBPVHICV-SUYBPPKGSA-N 1 1 294.389 3.654 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)nn(CCC)c2C)C1 ZINC000668493021 1126917825 /nfs/dbraw/zinc/91/78/25/1126917825.db2.gz IWINOCCEWAOSCS-INIZCTEOSA-N 1 1 275.440 3.698 20 30 CHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000668494360 1126917984 /nfs/dbraw/zinc/91/79/84/1126917984.db2.gz YAMWOWYTOMXBGS-GFCCVEGCSA-N 1 1 262.422 3.809 20 30 CHEDMO CC[N@@H+](CCc1nccs1)[C@H](C)c1cccc(C#N)c1 ZINC000189972233 1126936967 /nfs/dbraw/zinc/93/69/67/1126936967.db2.gz UBHFSQRHRYAHNG-CYBMUJFWSA-N 1 1 285.416 3.640 20 30 CHEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)cs1 ZINC000189761486 1126934967 /nfs/dbraw/zinc/93/49/67/1126934967.db2.gz HPGKIIYVAIDLBY-MRXNPFEDSA-N 1 1 283.400 3.660 20 30 CHEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cs1 ZINC000189761486 1126934970 /nfs/dbraw/zinc/93/49/70/1126934970.db2.gz HPGKIIYVAIDLBY-MRXNPFEDSA-N 1 1 283.400 3.660 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(Cl)c1 ZINC000485704282 1126942922 /nfs/dbraw/zinc/94/29/22/1126942922.db2.gz WKLIBWZBKASRSI-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO N#CCCCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191347682 1126950748 /nfs/dbraw/zinc/95/07/48/1126950748.db2.gz KTOLAQMUDSRUKD-UHFFFAOYSA-N 1 1 293.414 3.820 20 30 CHEDMO C#CCCCC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000192267436 1126959131 /nfs/dbraw/zinc/95/91/31/1126959131.db2.gz RWUUXHABKHACEL-UHFFFAOYSA-N 1 1 298.430 3.790 20 30 CHEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000485887081 1126960994 /nfs/dbraw/zinc/96/09/94/1126960994.db2.gz FHLVPPLGXCOXSQ-KZNAEPCWSA-N 1 1 280.415 3.948 20 30 CHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(F)c(F)c1 ZINC000193302538 1126968523 /nfs/dbraw/zinc/96/85/23/1126968523.db2.gz OGACQYQUZCMARY-MEDUHNTESA-N 1 1 291.345 3.666 20 30 CHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCCC#N ZINC000270383709 1127053420 /nfs/dbraw/zinc/05/34/20/1127053420.db2.gz WMLQFZHNJXHNKZ-MRXNPFEDSA-N 1 1 296.418 3.503 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270161585 1127050748 /nfs/dbraw/zinc/05/07/48/1127050748.db2.gz IOTWTQLYCPKKTE-NSHDSACASA-N 1 1 280.293 3.814 20 30 CHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270161585 1127050751 /nfs/dbraw/zinc/05/07/51/1127050751.db2.gz IOTWTQLYCPKKTE-NSHDSACASA-N 1 1 280.293 3.814 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc2c1OCCC2 ZINC001236629958 1130985136 /nfs/dbraw/zinc/98/51/36/1130985136.db2.gz NMPYQBVRLJQXHA-UHFFFAOYSA-N 1 1 263.356 3.549 20 30 CHEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(F)cc1 ZINC000271095848 1127068901 /nfs/dbraw/zinc/06/89/01/1127068901.db2.gz YRVUBXPXIBAIJH-UHFFFAOYSA-N 1 1 272.323 3.701 20 30 CHEDMO CCC1(CC)CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000700697993 1127092325 /nfs/dbraw/zinc/09/23/25/1127092325.db2.gz BWAZPRPETPVACF-UHFFFAOYSA-N 1 1 256.393 3.879 20 30 CHEDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)ccn1 ZINC000348751134 1127126255 /nfs/dbraw/zinc/12/62/55/1127126255.db2.gz DNCVSEXECJQRNO-VXGBXAGGSA-N 1 1 299.349 3.513 20 30 CHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)C1CCCCC1 ZINC000034674117 1127133642 /nfs/dbraw/zinc/13/36/42/1127133642.db2.gz RHMZFZTZYFQKAZ-UHFFFAOYSA-N 1 1 272.392 3.592 20 30 CHEDMO N#Cc1csc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000349034428 1127137979 /nfs/dbraw/zinc/13/79/79/1127137979.db2.gz DASCAVSEVWMBCB-UHFFFAOYSA-N 1 1 298.411 3.738 20 30 CHEDMO CC[N@@H+](CCN1CCCCCC1)CC(C)(C)CCC#N ZINC000349016503 1127138057 /nfs/dbraw/zinc/13/80/57/1127138057.db2.gz ZLEUGWWJVFHART-UHFFFAOYSA-N 1 1 279.472 3.514 20 30 CHEDMO CCN(CC[NH+]1CCCCCC1)CC(C)(C)CCC#N ZINC000349016503 1127138058 /nfs/dbraw/zinc/13/80/58/1127138058.db2.gz ZLEUGWWJVFHART-UHFFFAOYSA-N 1 1 279.472 3.514 20 30 CHEDMO C=C(C)CC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359832 1131083622 /nfs/dbraw/zinc/08/36/22/1131083622.db2.gz AZBRAMVSPABOIH-HNNXBMFYSA-N 1 1 296.455 3.579 20 30 CHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c(O)c(OC)c1 ZINC000164473897 1127168291 /nfs/dbraw/zinc/16/82/91/1127168291.db2.gz OJDKXCRKCNRDCN-CYBMUJFWSA-N 1 1 289.419 3.750 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C1CC1 ZINC000350229278 1127175294 /nfs/dbraw/zinc/17/52/94/1127175294.db2.gz WQHAYHLVQQHNCU-UHFFFAOYSA-N 1 1 281.783 3.508 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)C1CC1 ZINC000350229278 1127175295 /nfs/dbraw/zinc/17/52/95/1127175295.db2.gz WQHAYHLVQQHNCU-UHFFFAOYSA-N 1 1 281.783 3.508 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(C#N)c(F)cc1F ZINC001237533485 1131111353 /nfs/dbraw/zinc/11/13/53/1131111353.db2.gz XIWQEAHOHYGXCR-GHMZBOCLSA-N 1 1 264.319 3.599 20 30 CHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000351061625 1127184665 /nfs/dbraw/zinc/18/46/65/1127184665.db2.gz HCYRUUYEKBGSMI-DOTOQJQBSA-N 1 1 288.435 3.540 20 30 CHEDMO C#CCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000284830885 1127208735 /nfs/dbraw/zinc/20/87/35/1127208735.db2.gz BFYAGNWYMFKERI-KRWDZBQOSA-N 1 1 279.387 3.627 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588978206 1127208915 /nfs/dbraw/zinc/20/89/15/1127208915.db2.gz PQYKBJLWMGCGPW-DYVFJYSZSA-N 1 1 254.377 3.741 20 30 CHEDMO C=C(C)C[N@H+](CCCCC#N)Cc1cnn(C(C)C)c1 ZINC000352904935 1127249750 /nfs/dbraw/zinc/24/97/50/1127249750.db2.gz VYQDJLZKUAWAEV-UHFFFAOYSA-N 1 1 274.412 3.536 20 30 CHEDMO C=C(C)C[N@H+](CCCCF)Cc1cnn(C(C)C)c1 ZINC000352920801 1127251101 /nfs/dbraw/zinc/25/11/01/1127251101.db2.gz 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CC[N@H+](Cc1ccc(Cl)c2cccnc12)C[C@@H](C)C#N ZINC000066425042 1119887085 /nfs/dbraw/zinc/88/70/85/1119887085.db2.gz SKIOUJNUUNBXLE-LBPRGKRZSA-N 1 1 287.794 3.870 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000708834310 1119914336 /nfs/dbraw/zinc/91/43/36/1119914336.db2.gz FAQFELXPSBMYQR-SFHVURJKSA-N 1 1 268.404 3.960 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000180205861 1119952344 /nfs/dbraw/zinc/95/23/44/1119952344.db2.gz AHXSMRQOSCJCPC-MRXNPFEDSA-N 1 1 285.416 3.685 20 30 CHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000180205861 1119952348 /nfs/dbraw/zinc/95/23/48/1119952348.db2.gz AHXSMRQOSCJCPC-MRXNPFEDSA-N 1 1 285.416 3.685 20 30 CHEDMO N#CCCCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000102400227 1119965591 /nfs/dbraw/zinc/96/55/91/1119965591.db2.gz JRONYJVNXIVXIJ-UHFFFAOYSA-N 1 1 293.208 3.501 20 30 CHEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000472588351 1119987716 /nfs/dbraw/zinc/98/77/16/1119987716.db2.gz ITOZCDLNFBTXMU-KRWDZBQOSA-N 1 1 297.398 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C=CCC[C@H](O)C[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000472779061 1120172888 /nfs/dbraw/zinc/17/28/88/1120172888.db2.gz PNYXCZZIRFTBIT-NSHDSACASA-N 1 1 288.218 3.752 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000472779061 1120172891 /nfs/dbraw/zinc/17/28/91/1120172891.db2.gz PNYXCZZIRFTBIT-NSHDSACASA-N 1 1 288.218 3.752 20 30 CHEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000273839780 1120175466 /nfs/dbraw/zinc/17/54/66/1120175466.db2.gz JDNZJNBEGUDROV-INIZCTEOSA-N 1 1 274.433 3.860 20 30 CHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404247957 1120176483 /nfs/dbraw/zinc/17/64/83/1120176483.db2.gz HDAAVINIILLFNN-BLLLJJGKSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000361690538 1120191184 /nfs/dbraw/zinc/19/11/84/1120191184.db2.gz YJUMDCSHYWSRNP-IUODEOHRSA-N 1 1 260.356 3.708 20 30 CHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000361690540 1120191565 /nfs/dbraw/zinc/19/15/65/1120191565.db2.gz 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C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC(C)(C)C1 ZINC000543182824 1120455413 /nfs/dbraw/zinc/45/54/13/1120455413.db2.gz ZSSFPGKSPSVBGT-GFCCVEGCSA-N 1 1 260.356 3.565 20 30 CHEDMO Cc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(F)c1 ZINC001141191720 1120461058 /nfs/dbraw/zinc/46/10/58/1120461058.db2.gz SDOMNBADBRIQOW-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(F)c1 ZINC001141191720 1120461061 /nfs/dbraw/zinc/46/10/61/1120461061.db2.gz SDOMNBADBRIQOW-UHFFFAOYSA-N 1 1 280.346 3.564 20 30 CHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206553 1120463166 /nfs/dbraw/zinc/46/31/66/1120463166.db2.gz RPJWPVBYQVMKTA-HUUCEWRRSA-N 1 1 256.393 3.763 20 30 CHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499701462 1120477074 /nfs/dbraw/zinc/47/70/74/1120477074.db2.gz BMRGNJXHRBKRAY-DLBZAZTESA-N 1 1 292.467 3.988 20 30 CHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC000543254162 1120477181 /nfs/dbraw/zinc/47/71/81/1120477181.db2.gz 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C[C@@H](c1ccco1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000155797474 1120599831 /nfs/dbraw/zinc/59/98/31/1120599831.db2.gz QAOOAACNBHDRFW-AWEZNQCLSA-N 1 1 284.359 3.613 20 30 CHEDMO N#Cc1ccc(C[NH2+]Cc2ccsc2Cl)c(F)c1 ZINC000312766519 1120614137 /nfs/dbraw/zinc/61/41/37/1120614137.db2.gz GKKWVSAYPHJEEY-UHFFFAOYSA-N 1 1 280.755 3.702 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(F)c1 ZINC000511669986 1120625105 /nfs/dbraw/zinc/62/51/05/1120625105.db2.gz ZKLKOUIBVOHRSV-KWOWKCNFSA-N 1 1 284.378 3.708 20 30 CHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000555696750 1120631504 /nfs/dbraw/zinc/63/15/04/1120631504.db2.gz DVRFQMIQCUYNGS-BBRMVZONSA-N 1 1 254.377 3.741 20 30 CHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC1CCC(C#N)CC1 ZINC001167767259 1120645181 /nfs/dbraw/zinc/64/51/81/1120645181.db2.gz SIHWJBHMOZYFQP-BHUNQDJPSA-N 1 1 292.467 3.842 20 30 CHEDMO COc1ccccc1/C=C/C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131184477 1120650299 /nfs/dbraw/zinc/65/02/99/1120650299.db2.gz 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264.457 3.537 20 30 CHEDMO C=CCCC[C@@H](C)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429401022 1121564336 /nfs/dbraw/zinc/56/43/36/1121564336.db2.gz FFOCKXIAHYHLPF-HZPDHXFCSA-N 1 1 264.457 3.537 20 30 CHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000466721175 1121567122 /nfs/dbraw/zinc/56/71/22/1121567122.db2.gz CXGDFUFBOOLTPI-OAHLLOKOSA-N 1 1 281.403 3.679 20 30 CHEDMO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000411403142 1121581505 /nfs/dbraw/zinc/58/15/05/1121581505.db2.gz VSNTYWYXMZOWKU-AWEZNQCLSA-N 1 1 272.392 3.526 20 30 CHEDMO N#CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000411453886 1121589569 /nfs/dbraw/zinc/58/95/69/1121589569.db2.gz KCDDLKPBJHSBIG-CQSZACIVSA-N 1 1 293.208 3.794 20 30 CHEDMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000466745699 1121597823 /nfs/dbraw/zinc/59/78/23/1121597823.db2.gz XBDLFQZWQSCCDA-GOEBONIOSA-N 1 1 256.393 3.987 20 30 CHEDMO C#CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC001176373802 1121619081 /nfs/dbraw/zinc/61/90/81/1121619081.db2.gz ZLWXVRFEWWMNJV-SJLPKXTDSA-N 1 1 255.405 3.914 20 30 CHEDMO C[C@H](C#N)C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000611091099 1121627081 /nfs/dbraw/zinc/62/70/81/1121627081.db2.gz FTEXFWBICVKGJP-CQSZACIVSA-N 1 1 281.403 3.612 20 30 CHEDMO C[C@H](C#N)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000611091099 1121627087 /nfs/dbraw/zinc/62/70/87/1121627087.db2.gz FTEXFWBICVKGJP-CQSZACIVSA-N 1 1 281.403 3.612 20 30 CHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(F)c(Cl)c1 ZINC000433245228 1121627658 /nfs/dbraw/zinc/62/76/58/1121627658.db2.gz WJGZTYHJRZPAKV-UHFFFAOYSA-N 1 1 286.803 3.558 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000433256506 1121629764 /nfs/dbraw/zinc/62/97/64/1121629764.db2.gz PRCUBEBAWCGLHU-CQSZACIVSA-N 1 1 292.382 3.686 20 30 CHEDMO C#CC[N@@H+](Cc1conc1CC)[C@@H]1CCCc2ccccc21 ZINC001176453554 1121633835 /nfs/dbraw/zinc/63/38/35/1121633835.db2.gz WEBSHSJEXPCUPM-LJQANCHMSA-N 1 1 294.398 3.750 20 30 CHEDMO C#CC[N@H+](Cc1conc1CC)[C@@H]1CCCc2ccccc21 ZINC001176453554 1121633839 /nfs/dbraw/zinc/63/38/39/1121633839.db2.gz WEBSHSJEXPCUPM-LJQANCHMSA-N 1 1 294.398 3.750 20 30 CHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419304633 1121634073 /nfs/dbraw/zinc/63/40/73/1121634073.db2.gz UXVWXVRVTNVHDH-OAHLLOKOSA-N 1 1 278.346 3.666 20 30 CHEDMO Cc1cccc(C2=CC[N@H+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000611303328 1121635624 /nfs/dbraw/zinc/63/56/24/1121635624.db2.gz RIJVSJUKDNREIH-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000611303328 1121635626 /nfs/dbraw/zinc/63/56/26/1121635626.db2.gz RIJVSJUKDNREIH-UHFFFAOYSA-N 1 1 289.382 3.551 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1F ZINC000611372446 1121640581 /nfs/dbraw/zinc/64/05/81/1121640581.db2.gz BLYBMKOODWJLPP-QGZVFWFLSA-N 1 1 296.345 3.740 20 30 CHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1F ZINC000611372446 1121640583 /nfs/dbraw/zinc/64/05/83/1121640583.db2.gz BLYBMKOODWJLPP-QGZVFWFLSA-N 1 1 296.345 3.740 20 30 CHEDMO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000611449484 1121647998 /nfs/dbraw/zinc/64/79/98/1121647998.db2.gz KRJYUHHBVVLPAO-LBPRGKRZSA-N 1 1 297.427 3.744 20 30 CHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc21 ZINC000611548969 1121655823 /nfs/dbraw/zinc/65/58/23/1121655823.db2.gz AFKKBTXCXZACHH-SFHVURJKSA-N 1 1 276.383 3.720 20 30 CHEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419339378 1121667882 /nfs/dbraw/zinc/66/78/82/1121667882.db2.gz ZZFMEZBHCGHZRC-UONOGXRCSA-N 1 1 268.470 3.780 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000397597744 1121689299 /nfs/dbraw/zinc/68/92/99/1121689299.db2.gz DZPKOOPGQKDUNG-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000397597744 1121689303 /nfs/dbraw/zinc/68/93/03/1121689303.db2.gz DZPKOOPGQKDUNG-SNVBAGLBSA-N 1 1 254.786 3.527 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1CCc1nc2ccccc2n1C ZINC001176771068 1121694288 /nfs/dbraw/zinc/69/42/88/1121694288.db2.gz FAPLBCSWZUGTNR-OAHLLOKOSA-N 1 1 283.419 3.546 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(COC)c1 ZINC001176771602 1121694536 /nfs/dbraw/zinc/69/45/36/1121694536.db2.gz NKKSEXSPATXAPF-QGZVFWFLSA-N 1 1 259.393 3.764 20 30 CHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001176767316 1121694609 /nfs/dbraw/zinc/69/46/09/1121694609.db2.gz FPJBTVROCZQQOW-CYBMUJFWSA-N 1 1 250.773 3.666 20 30 CHEDMO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC001176771739 1121694780 /nfs/dbraw/zinc/69/47/80/1121694780.db2.gz SYRFHPRYKSGUGH-ZDUSSCGKSA-N 1 1 292.810 3.709 20 30 CHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC001176771739 1121694786 /nfs/dbraw/zinc/69/47/86/1121694786.db2.gz SYRFHPRYKSGUGH-ZDUSSCGKSA-N 1 1 292.810 3.709 20 30 CHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000397751274 1121695407 /nfs/dbraw/zinc/69/54/07/1121695407.db2.gz PLLNMEOWLOALKC-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000397751274 1121695410 /nfs/dbraw/zinc/69/54/10/1121695410.db2.gz PLLNMEOWLOALKC-LLVKDONJSA-N 1 1 266.747 3.605 20 30 CHEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001176815747 1121696174 /nfs/dbraw/zinc/69/61/74/1121696174.db2.gz XCFKEJYTQOLJER-CQSZACIVSA-N 1 1 290.363 3.532 20 30 CHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001176815747 1121696177 /nfs/dbraw/zinc/69/61/77/1121696177.db2.gz XCFKEJYTQOLJER-CQSZACIVSA-N 1 1 290.363 3.532 20 30 CHEDMO C=CCCC[N@H+](CC)C[C@@H](OC)C1CCCCC1 ZINC001176798503 1121696819 /nfs/dbraw/zinc/69/68/19/1121696819.db2.gz QWNQWHLDNVTRHI-MRXNPFEDSA-N 1 1 253.430 3.870 20 30 CHEDMO C#CCCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001176886044 1121698937 /nfs/dbraw/zinc/69/89/37/1121698937.db2.gz FGIAOQRELRUVDE-OALUTQOASA-N 1 1 290.495 3.765 20 30 CHEDMO CC(C)c1ccc2c(c1)CC[N@H+](CCCCC#N)C2 ZINC001177027854 1121706605 /nfs/dbraw/zinc/70/66/05/1121706605.db2.gz RKNQEURTBOWCJE-UHFFFAOYSA-N 1 1 256.393 3.862 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001177015702 1121707491 /nfs/dbraw/zinc/70/74/91/1121707491.db2.gz NASSGWRDPRNHEA-IBGZPJMESA-N 1 1 298.430 3.710 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(F)cc1F ZINC000614397660 1121707791 /nfs/dbraw/zinc/70/77/91/1121707791.db2.gz MXYXASVKTLFFNI-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(F)cc1F ZINC000614397660 1121707799 /nfs/dbraw/zinc/70/77/99/1121707799.db2.gz MXYXASVKTLFFNI-UHFFFAOYSA-N 1 1 286.325 3.777 20 30 CHEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C1(C)C ZINC000614402366 1121710114 /nfs/dbraw/zinc/71/01/14/1121710114.db2.gz VLAXEZLIKYENCA-SJLPKXTDSA-N 1 1 286.419 3.502 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000614400822 1121710179 /nfs/dbraw/zinc/71/01/79/1121710179.db2.gz HKACPEBFSLCBHB-HNNXBMFYSA-N 1 1 276.383 3.814 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000614407776 1121713097 /nfs/dbraw/zinc/71/30/97/1121713097.db2.gz ZIDMNBXAVARMGN-BMGDILEWSA-N 1 1 268.404 3.877 20 30 CHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000614407506 1121713203 /nfs/dbraw/zinc/71/32/03/1121713203.db2.gz SQCPXWRNLXSPGA-RDTXWAMCSA-N 1 1 268.404 3.879 20 30 CHEDMO Cc1[nH+]c(N(C)C23CC4CC(CC(C4)C2)C3)ccc1CC#N ZINC001166592904 1121775249 /nfs/dbraw/zinc/77/52/49/1121775249.db2.gz ORPYYJJXVAVHQY-UHFFFAOYSA-N 1 1 295.430 3.861 20 30 CHEDMO C#Cc1ccc(CNC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001178528489 1121793652 /nfs/dbraw/zinc/79/36/52/1121793652.db2.gz LLLGZHXNNWWHRI-UHFFFAOYSA-N 1 1 298.474 3.802 20 30 CHEDMO N#CCC1(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000430024196 1121826299 /nfs/dbraw/zinc/82/62/99/1121826299.db2.gz ZGBYBLIPIIDEBV-UHFFFAOYSA-N 1 1 289.429 3.655 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2cnccc21 ZINC000183046830 1129016829 /nfs/dbraw/zinc/01/68/29/1129016829.db2.gz SLCBJHNNDAIBIU-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(Cl)nc1 ZINC000731752021 1121882973 /nfs/dbraw/zinc/88/29/73/1121882973.db2.gz MPXGRBKBNHSIIQ-UHFFFAOYSA-N 1 1 286.806 3.966 20 30 CHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C3CCC3)cc2)nn1 ZINC000631637535 1129015928 /nfs/dbraw/zinc/01/59/28/1129015928.db2.gz AULGHPRRPQUQSI-CQSZACIVSA-N 1 1 296.418 3.582 20 30 CHEDMO CC(C)(C#N)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000345954570 1121932861 /nfs/dbraw/zinc/93/28/61/1121932861.db2.gz QKQGUZAFVCRXAB-UHFFFAOYSA-N 1 1 279.387 3.587 20 30 CHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC(C)C)C2)ccc1C#N ZINC001180071531 1121945999 /nfs/dbraw/zinc/94/59/99/1121945999.db2.gz AFPDNYJWVRHEBT-HNNXBMFYSA-N 1 1 286.419 3.825 20 30 CHEDMO CC(C)CCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001180133207 1121949621 /nfs/dbraw/zinc/94/96/21/1121949621.db2.gz RVGWKYRAOWZAQZ-GOSISDBHSA-N 1 1 286.419 3.758 20 30 CHEDMO CC(C)CCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001180133207 1121949627 /nfs/dbraw/zinc/94/96/27/1121949627.db2.gz RVGWKYRAOWZAQZ-GOSISDBHSA-N 1 1 286.419 3.758 20 30 CHEDMO C#CC[N@H+](Cc1csc(C(F)(F)F)c1)CC1CC1 ZINC001180117221 1121954231 /nfs/dbraw/zinc/95/42/31/1121954231.db2.gz UTBPXEDKYOVYDJ-UHFFFAOYSA-N 1 1 273.323 3.612 20 30 CHEDMO C#CC[N@H+](Cc1ccc(SC(F)F)cc1)CC1CC1 ZINC001180116554 1121955313 /nfs/dbraw/zinc/95/53/13/1121955313.db2.gz KAEKYPNXXYDQRH-UHFFFAOYSA-N 1 1 281.371 3.847 20 30 CHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1CC(C)C ZINC000501208219 1121963513 /nfs/dbraw/zinc/96/35/13/1121963513.db2.gz IWRWNVFBPOSSTL-INIZCTEOSA-N 1 1 272.392 3.577 20 30 CHEDMO C[C@@]1(C#N)CCC[N@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001180305318 1121972658 /nfs/dbraw/zinc/97/26/58/1121972658.db2.gz IWFMSIYFDNSQGF-INIZCTEOSA-N 1 1 278.346 3.523 20 30 CHEDMO C[C@@]1(C#N)CCC[N@@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001180305318 1121972663 /nfs/dbraw/zinc/97/26/63/1121972663.db2.gz IWFMSIYFDNSQGF-INIZCTEOSA-N 1 1 278.346 3.523 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccccc1OCC(F)F ZINC001180438280 1121987318 /nfs/dbraw/zinc/98/73/18/1121987318.db2.gz XIXICZJGQQMJFW-UHFFFAOYSA-N 1 1 269.335 3.729 20 30 CHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](CC)[C@@H]1C ZINC001181044607 1122030052 /nfs/dbraw/zinc/03/00/52/1122030052.db2.gz WJXCNJKPMCKPKX-KBPBESRZSA-N 1 1 291.822 3.972 20 30 CHEDMO C=C(CC)C[N@@H+](C)Cc1csc(Br)c1 ZINC000404204470 1129026701 /nfs/dbraw/zinc/02/67/01/1129026701.db2.gz RTEWPHSPVRTHOS-UHFFFAOYSA-N 1 1 274.227 3.909 20 30 CHEDMO C=CC[N@H+](CCOC)Cc1ccc(F)c2ccccc12 ZINC001181457772 1122056128 /nfs/dbraw/zinc/05/61/28/1122056128.db2.gz RPOFQALHNXGMMM-UHFFFAOYSA-N 1 1 273.351 3.613 20 30 CHEDMO C=C(Br)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000773934919 1122067225 /nfs/dbraw/zinc/06/72/25/1122067225.db2.gz MXUGAJVLHUJIET-ZDUSSCGKSA-N 1 1 282.225 3.766 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000773934919 1122067231 /nfs/dbraw/zinc/06/72/31/1122067231.db2.gz MXUGAJVLHUJIET-ZDUSSCGKSA-N 1 1 282.225 3.766 20 30 CHEDMO C=CCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774355443 1122160604 /nfs/dbraw/zinc/16/06/04/1122160604.db2.gz SQWIUIKABRKLMF-SECBINFHSA-N 1 1 290.190 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282.362 3.892 20 30 CHEDMO C=CCCCC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000515366989 1122495041 /nfs/dbraw/zinc/49/50/41/1122495041.db2.gz OJTRGQKIXUTNQT-UHFFFAOYSA-N 1 1 288.435 3.920 20 30 CHEDMO C=C(C)C[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000505794465 1122539848 /nfs/dbraw/zinc/53/98/48/1122539848.db2.gz CHEDFRBTTQEPJL-WMZOPIPTSA-N 1 1 272.436 3.720 20 30 CHEDMO C=C(C)CN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000505794465 1122539852 /nfs/dbraw/zinc/53/98/52/1122539852.db2.gz CHEDFRBTTQEPJL-WMZOPIPTSA-N 1 1 272.436 3.720 20 30 CHEDMO C=C(C)CN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000505794465 1122539857 /nfs/dbraw/zinc/53/98/57/1122539857.db2.gz CHEDFRBTTQEPJL-WMZOPIPTSA-N 1 1 272.436 3.720 20 30 CHEDMO Cc1cccc(C[N@@H+](Cc2cc(C#N)ccn2)CC(C)C)c1 ZINC001190561036 1122542880 /nfs/dbraw/zinc/54/28/80/1122542880.db2.gz PVMMUGRRMMHAJM-UHFFFAOYSA-N 1 1 293.414 3.920 20 30 CHEDMO CC(C)SCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530921 1122543137 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261.409 3.833 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccc(Sc2ccccn2)o1 ZINC000506865540 1122909057 /nfs/dbraw/zinc/90/90/57/1122909057.db2.gz NKHZCCOSJYNOQS-UHFFFAOYSA-N 1 1 286.400 4.000 20 30 CHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC001196175927 1122909872 /nfs/dbraw/zinc/90/98/72/1122909872.db2.gz NLXSESTUJDQNFB-ZIAGYGMSSA-N 1 1 272.392 3.577 20 30 CHEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C(C)(C)C ZINC001196198093 1122910700 /nfs/dbraw/zinc/91/07/00/1122910700.db2.gz DONTUCMICIIHID-UHFFFAOYSA-N 1 1 295.810 3.913 20 30 CHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1OC ZINC001196330176 1122917041 /nfs/dbraw/zinc/91/70/41/1122917041.db2.gz VCCXXHCLPXHBCR-XJKSGUPXSA-N 1 1 272.392 3.720 20 30 CHEDMO C=CCc1cc(C[N@H+](C)[C@@H](C)CCC)cc(OC)c1O ZINC000507026040 1122920016 /nfs/dbraw/zinc/92/00/16/1122920016.db2.gz LPFUSYNDQWJDFF-ZDUSSCGKSA-N 1 1 277.408 3.750 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC001196442129 1122921458 /nfs/dbraw/zinc/92/14/58/1122921458.db2.gz 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281.384 3.684 20 30 CHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000019804720 1123109889 /nfs/dbraw/zinc/10/98/89/1123109889.db2.gz YHJWIZAYYPPQCC-UHFFFAOYSA-N 1 1 260.356 3.852 20 30 CHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1cccc(F)c1 ZINC000051262290 1123119797 /nfs/dbraw/zinc/11/97/97/1123119797.db2.gz ZDNXAKUTFGGVSU-INIZCTEOSA-N 1 1 291.391 3.609 20 30 CHEDMO N#CCC[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccccc1 ZINC001201556842 1123120543 /nfs/dbraw/zinc/12/05/43/1123120543.db2.gz AXYUBNHMNVHPGD-MRXNPFEDSA-N 1 1 283.350 3.543 20 30 CHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCCC)[C@@H]2CC ZINC001201727292 1123141591 /nfs/dbraw/zinc/14/15/91/1123141591.db2.gz PVKZHIHTTVPTBR-AEFFLSMTSA-N 1 1 292.467 3.598 20 30 CHEDMO CCCCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201761672 1123148275 /nfs/dbraw/zinc/14/82/75/1123148275.db2.gz NXSZFNVPJFXVED-KBPBESRZSA-N 1 1 295.389 3.982 20 30 CHEDMO CCCCCCC[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001201761584 1123148491 /nfs/dbraw/zinc/14/84/91/1123148491.db2.gz LEILQDRNOAMYJQ-UHFFFAOYSA-N 1 1 256.393 3.887 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001201804080 1123150302 /nfs/dbraw/zinc/15/03/02/1123150302.db2.gz AIICYFHIZBJKSN-INIZCTEOSA-N 1 1 253.430 3.992 20 30 CHEDMO CCCCCCC[N@H+]1CCCN(c2cccnc2)CC1 ZINC001201797686 1123150340 /nfs/dbraw/zinc/15/03/40/1123150340.db2.gz CQWNEFUBKAGKLB-UHFFFAOYSA-N 1 1 275.440 3.564 20 30 CHEDMO CCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201804501 1123150490 /nfs/dbraw/zinc/15/04/90/1123150490.db2.gz MHRCXSGSNZZDRV-STQMWFEESA-N 1 1 299.352 3.684 20 30 CHEDMO CCCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201804501 1123150491 /nfs/dbraw/zinc/15/04/91/1123150491.db2.gz MHRCXSGSNZZDRV-STQMWFEESA-N 1 1 299.352 3.684 20 30 CHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201776797 1123151563 /nfs/dbraw/zinc/15/15/63/1123151563.db2.gz LXFLSLKAQWTWER-DLBZAZTESA-N 1 1 294.483 3.536 20 30 CHEDMO CCCCCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001201839730 1123154906 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CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001252122976 1123224086 /nfs/dbraw/zinc/22/40/86/1123224086.db2.gz AYFIBSDKDSXXEC-FGTMMUONSA-N 1 1 299.499 3.581 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507860148 1123242032 /nfs/dbraw/zinc/24/20/32/1123242032.db2.gz AQVVGGPKFBGPIX-HZPDHXFCSA-N 1 1 277.408 3.515 20 30 CHEDMO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168011313 1123270664 /nfs/dbraw/zinc/27/06/64/1123270664.db2.gz NOHWOBJWQJTSPI-ALXJQNPVSA-N 1 1 272.436 3.594 20 30 CHEDMO C=CCCSCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000850502720 1123276068 /nfs/dbraw/zinc/27/60/68/1123276068.db2.gz VPDCCWIEDBQGSW-CQSZACIVSA-N 1 1 283.412 3.881 20 30 CHEDMO CCC[N@@H+](CCOCCC#N)[C@H](CC)c1ccccc1 ZINC000338934850 1123344361 /nfs/dbraw/zinc/34/43/61/1123344361.db2.gz JLJDQHXVMRYLQU-QGZVFWFLSA-N 1 1 274.408 3.780 20 30 CHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)n1 ZINC000851740086 1123376713 /nfs/dbraw/zinc/37/67/13/1123376713.db2.gz 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CCCCCCCCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854736751 1123494093 /nfs/dbraw/zinc/49/40/93/1123494093.db2.gz IFXABQJQXMKSRY-SFHVURJKSA-N 1 1 294.483 3.681 20 30 CHEDMO c1ccc(C(CC2CCC2)=NNc2cc[nH+]cc2)cc1 ZINC000779809731 1129126911 /nfs/dbraw/zinc/12/69/11/1129126911.db2.gz OPSZQQPMGGBJGA-UHFFFAOYSA-N 1 1 265.360 3.510 20 30 CHEDMO C=C(Br)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000688839387 1129127562 /nfs/dbraw/zinc/12/75/62/1129127562.db2.gz ZEQANRXTWMWIFW-ZDUSSCGKSA-N 1 1 272.230 3.940 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001141854697 1123530193 /nfs/dbraw/zinc/53/01/93/1123530193.db2.gz MOYZXOBYLRHASA-GFCCVEGCSA-N 1 1 272.323 3.698 20 30 CHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399151588 1123534325 /nfs/dbraw/zinc/53/43/25/1123534325.db2.gz ZIVPPMVNGXPHPN-CQSZACIVSA-N 1 1 296.336 3.915 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000054271887 1123557729 /nfs/dbraw/zinc/55/77/29/1123557729.db2.gz YYCNMAISWWFVPY-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896227843 1123563669 /nfs/dbraw/zinc/56/36/69/1123563669.db2.gz PITNAXVIUWNHEQ-AWEZNQCLSA-N 1 1 297.295 3.534 20 30 CHEDMO C#CC[N@H+](Cc1ccnc(C)c1)[C@H]1CCc2ccccc21 ZINC000856721901 1123566339 /nfs/dbraw/zinc/56/63/39/1123566339.db2.gz LKOKRANPRVWXDS-IBGZPJMESA-N 1 1 276.383 3.513 20 30 CHEDMO CCCC[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141894771 1123589153 /nfs/dbraw/zinc/58/91/53/1123589153.db2.gz SYZONNRVVOPLBA-UHFFFAOYSA-N 1 1 281.197 3.553 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000896504052 1123591094 /nfs/dbraw/zinc/59/10/94/1123591094.db2.gz RNJSYKGSLKWNRK-OAHLLOKOSA-N 1 1 292.382 3.795 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000896504052 1123591098 /nfs/dbraw/zinc/59/10/98/1123591098.db2.gz RNJSYKGSLKWNRK-OAHLLOKOSA-N 1 1 292.382 3.795 20 30 CHEDMO CON=C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857206821 1123591158 /nfs/dbraw/zinc/59/11/58/1123591158.db2.gz IJGOTHQBXVWZSK-QGZVFWFLSA-N 1 1 274.408 3.557 20 30 CHEDMO COc1ccc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc2c1 ZINC000896503488 1123591544 /nfs/dbraw/zinc/59/15/44/1123591544.db2.gz PUSPDHQYRCFGCW-HNNXBMFYSA-N 1 1 280.371 3.584 20 30 CHEDMO COc1ccc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc2c1 ZINC000896503488 1123591548 /nfs/dbraw/zinc/59/15/48/1123591548.db2.gz PUSPDHQYRCFGCW-HNNXBMFYSA-N 1 1 280.371 3.584 20 30 CHEDMO C[N@@H+](CCCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428302615 1123592018 /nfs/dbraw/zinc/59/20/18/1123592018.db2.gz GUZSHDLUOSAXBT-UHFFFAOYSA-N 1 1 282.362 3.762 20 30 CHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857870137 1123623003 /nfs/dbraw/zinc/62/30/03/1123623003.db2.gz CTDJWEPTJKDPLK-BPLDGKMQSA-N 1 1 259.397 3.512 20 30 CHEDMO Cc1cccc(N2CCC(c3ccc(C#N)cc3)CC2)[nH+]1 ZINC000896864303 1123651832 /nfs/dbraw/zinc/65/18/32/1123651832.db2.gz HGDOAZWYUXEATG-UHFFFAOYSA-N 1 1 277.371 3.646 20 30 CHEDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(C#N)cc1F ZINC000858578094 1123664847 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C=C(C)C[N@@H+](CC)CC(=O)c1cc(C)n(CCC)c1C ZINC000301759792 1124974686 /nfs/dbraw/zinc/97/46/86/1124974686.db2.gz HKZAVIQMZDCVTB-UHFFFAOYSA-N 1 1 276.424 3.596 20 30 CHEDMO C=C(C)C[N@H+](CC)CC(=O)c1cc(C)n(CCC)c1C ZINC000301759792 1124974690 /nfs/dbraw/zinc/97/46/90/1124974690.db2.gz HKZAVIQMZDCVTB-UHFFFAOYSA-N 1 1 276.424 3.596 20 30 CHEDMO CCc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)s1 ZINC000876931540 1124991693 /nfs/dbraw/zinc/99/16/93/1124991693.db2.gz ONVWEJDCRGZJAU-UHFFFAOYSA-N 1 1 291.807 3.520 20 30 CHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@@H]2CCCC[C@@H]21 ZINC000877193971 1125018685 /nfs/dbraw/zinc/01/86/85/1125018685.db2.gz VWYVYUWSQOGGOR-KCPJHIHWSA-N 1 1 289.810 3.617 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000450417160 1125020572 /nfs/dbraw/zinc/02/05/72/1125020572.db2.gz BOMLDMIDRWHWBA-UHFFFAOYSA-N 1 1 283.419 3.524 20 30 CHEDMO C[C@H]1CC[N@@H+](CC2(C#N)CCC2)[C@H]1c1cccc(F)c1 ZINC000450456553 1125034288 /nfs/dbraw/zinc/03/42/88/1125034288.db2.gz UBOUSAVJIWTOCC-XJKSGUPXSA-N 1 1 272.367 3.902 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877520791 1125039150 /nfs/dbraw/zinc/03/91/50/1125039150.db2.gz HYNZVMICQCHECC-KDOFPFPSSA-N 1 1 277.371 3.536 20 30 CHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000121129722 1125050778 /nfs/dbraw/zinc/05/07/78/1125050778.db2.gz UZTOMDDJNRDMHI-ZDUSSCGKSA-N 1 1 271.364 3.696 20 30 CHEDMO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000877622582 1125055977 /nfs/dbraw/zinc/05/59/77/1125055977.db2.gz QWIQIXHCKZEQCD-OAHLLOKOSA-N 1 1 286.419 3.990 20 30 CHEDMO C=CC[C@H]1CC[N@H+](CCCP(=O)(OCC)OCC)C1 ZINC000877649855 1125057068 /nfs/dbraw/zinc/05/70/68/1125057068.db2.gz KTWXQNFEWUWMIT-AWEZNQCLSA-N 1 1 289.356 3.541 20 30 CHEDMO C=CC[C@@H]1CC[N@H+](CCCP(=O)(OCC)OCC)C1 ZINC000877649856 1125058240 /nfs/dbraw/zinc/05/82/40/1125058240.db2.gz KTWXQNFEWUWMIT-CQSZACIVSA-N 1 1 289.356 3.541 20 30 CHEDMO CC(C)c1ncc(C[N@@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877704804 1125065546 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C=CCCCCC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878123853 1125122167 /nfs/dbraw/zinc/12/21/67/1125122167.db2.gz CUESQLOQCICJAA-UHFFFAOYSA-N 1 1 262.397 3.732 20 30 CHEDMO C=CCCCCC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878123853 1125122164 /nfs/dbraw/zinc/12/21/64/1125122164.db2.gz CUESQLOQCICJAA-UHFFFAOYSA-N 1 1 262.397 3.732 20 30 CHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)C1(C)CC1)c1ccccc1 ZINC000878179310 1125128641 /nfs/dbraw/zinc/12/86/41/1125128641.db2.gz KUVVLOIRRJOWQS-KXBFYZLASA-N 1 1 298.430 3.547 20 30 CHEDMO C[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CCO1 ZINC001168126987 1125133252 /nfs/dbraw/zinc/13/32/52/1125133252.db2.gz CTIDIERMCLKNOK-RDJZCZTQSA-N 1 1 278.440 3.882 20 30 CHEDMO C=CC[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000878342878 1125143838 /nfs/dbraw/zinc/14/38/38/1125143838.db2.gz KIRBBGHUZJANJJ-LBPRGKRZSA-N 1 1 262.784 3.789 20 30 CHEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000878440793 1125154622 /nfs/dbraw/zinc/15/46/22/1125154622.db2.gz MHQBYAQUFHNRLI-MRXNPFEDSA-N 1 1 275.392 3.757 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878727925 1125176187 /nfs/dbraw/zinc/17/61/87/1125176187.db2.gz FQLOFPKAEQIYHF-QCSYZSNVSA-N 1 1 284.403 3.509 20 30 CHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c(F)c1 ZINC000530756789 1125179208 /nfs/dbraw/zinc/17/92/08/1125179208.db2.gz DAGODUYYOAVOFD-KRWDZBQOSA-N 1 1 280.346 3.514 20 30 CHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000878886734 1125183672 /nfs/dbraw/zinc/18/36/72/1125183672.db2.gz OEPIXNNVKIPLFZ-YTQUADARSA-N 1 1 298.430 3.922 20 30 CHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879480537 1125216182 /nfs/dbraw/zinc/21/61/82/1125216182.db2.gz WYKYEUYDVZDELV-GDBMZVCRSA-N 1 1 260.356 3.639 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000879747093 1125230539 /nfs/dbraw/zinc/23/05/39/1125230539.db2.gz AXKDFMCMOCGCCB-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000879747093 1125230544 /nfs/dbraw/zinc/23/05/44/1125230544.db2.gz AXKDFMCMOCGCCB-GOSISDBHSA-N 1 1 295.361 3.738 20 30 CHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000628422929 1125235570 /nfs/dbraw/zinc/23/55/70/1125235570.db2.gz SLYQLVFEFCSESF-SJORKVTESA-N 1 1 289.444 3.721 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003523 1125242971 /nfs/dbraw/zinc/24/29/71/1125242971.db2.gz IKLXUJOCJCJHFL-BXUZGUMPSA-N 1 1 282.309 3.894 20 30 CHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880237283 1125258379 /nfs/dbraw/zinc/25/83/79/1125258379.db2.gz UKYUKIVCIOIPHX-HNNXBMFYSA-N 1 1 274.383 3.669 20 30 CHEDMO C=CCCC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000880387562 1125270885 /nfs/dbraw/zinc/27/08/85/1125270885.db2.gz CHEJOAGWEUGTDH-INIZCTEOSA-N 1 1 256.349 3.862 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880576364 1125280336 /nfs/dbraw/zinc/28/03/36/1125280336.db2.gz WEKYEPZFZSEFSR-QGZVFWFLSA-N 1 1 292.467 3.845 20 30 CHEDMO C=C(C)CNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841639540 1125337177 /nfs/dbraw/zinc/33/71/77/1125337177.db2.gz SONVTWLDWSVLIE-SFHVURJKSA-N 1 1 283.419 3.508 20 30 CHEDMO CC1(C)CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000398980125 1125339208 /nfs/dbraw/zinc/33/92/08/1125339208.db2.gz FNDMSBOVZHCGMM-UHFFFAOYSA-N 1 1 256.393 3.765 20 30 CHEDMO CCC[N@@H+](CCCSCC#N)Cc1ccc(OC)cc1 ZINC000610409632 1125342546 /nfs/dbraw/zinc/34/25/46/1125342546.db2.gz BMKJXPJEWRIWOM-UHFFFAOYSA-N 1 1 292.448 3.554 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000129771149 1125349488 /nfs/dbraw/zinc/34/94/88/1125349488.db2.gz IAKVBDFLUKDIEN-VIFPVBQESA-N 1 1 260.164 3.752 20 30 CHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168188891 1125365958 /nfs/dbraw/zinc/36/59/58/1125365958.db2.gz PARYQKDCCMYQKS-KBPBESRZSA-N 1 1 261.796 3.616 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168188896 1125366029 /nfs/dbraw/zinc/36/60/29/1125366029.db2.gz PARYQKDCCMYQKS-ZIAGYGMSSA-N 1 1 261.796 3.616 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1F ZINC000883381834 1125406063 /nfs/dbraw/zinc/40/60/63/1125406063.db2.gz UJCOINFOBMGESS-SJLPKXTDSA-N 1 1 298.336 3.813 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000883384214 1125407428 /nfs/dbraw/zinc/40/74/28/1125407428.db2.gz NKUABTPCIROYIY-ROUUACIJSA-N 1 1 280.346 3.673 20 30 CHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2occc2C1 ZINC001253241631 1125418440 /nfs/dbraw/zinc/41/84/40/1125418440.db2.gz YLMQQRRUZXSRGI-INIZCTEOSA-N 1 1 277.408 3.525 20 30 CHEDMO CC[N@@H+](Cc1ccccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000104948328 1125434284 /nfs/dbraw/zinc/43/42/84/1125434284.db2.gz KHJQKNCUFCKXFB-CQSZACIVSA-N 1 1 265.360 3.536 20 30 CHEDMO CCOc1cccc2cc([C@H](C)[NH2+]CC3(C#N)CC3)oc21 ZINC000348264775 1125449729 /nfs/dbraw/zinc/44/97/29/1125449729.db2.gz YVFDUJRHDGLVBF-LBPRGKRZSA-N 1 1 284.359 3.786 20 30 CHEDMO C=CCOCCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000348026724 1129274485 /nfs/dbraw/zinc/27/44/85/1129274485.db2.gz DRIJFTNUFCHUGB-HOCLYGCPSA-N 1 1 277.408 3.954 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(CC)o1 ZINC000348065439 1129279487 /nfs/dbraw/zinc/27/94/87/1129279487.db2.gz ZJIAXGJLCCQOBK-OAHLLOKOSA-N 1 1 263.381 3.572 20 30 CHEDMO C[N@@H+](CCCNc1ccc(C#N)cc1F)C1CCCCC1 ZINC000037901379 1129288495 /nfs/dbraw/zinc/28/84/95/1129288495.db2.gz PFJCPEAQXRDXLQ-UHFFFAOYSA-N 1 1 289.398 3.764 20 30 CHEDMO C[C@@H]1CC(N=Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000734295268 1129300033 /nfs/dbraw/zinc/30/00/33/1129300033.db2.gz UZVSERIRSOUSJH-OAHLLOKOSA-N 1 1 294.402 3.534 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000829774618 1129305970 /nfs/dbraw/zinc/30/59/70/1129305970.db2.gz QZZQNXMVMJBHBE-MRXNPFEDSA-N 1 1 299.414 3.523 20 30 CHEDMO CC(C)[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735306688 1129338407 /nfs/dbraw/zinc/33/84/07/1129338407.db2.gz RIFQLTMSODLJLF-UHFFFAOYSA-N 1 1 278.783 3.615 20 30 CHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000735311169 1129339765 /nfs/dbraw/zinc/33/97/65/1129339765.db2.gz BGVSXFNXKYKHPI-KRWDZBQOSA-N 1 1 272.392 3.599 20 30 CHEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)c(OC)c1OC ZINC000735490859 1129348732 /nfs/dbraw/zinc/34/87/32/1129348732.db2.gz SPUITDXDXOBAME-UHFFFAOYSA-N 1 1 293.407 3.501 20 30 CHEDMO C[C@@H](CC1CC1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001258446728 1129368691 /nfs/dbraw/zinc/36/86/91/1129368691.db2.gz AZWSQVCMAIARAI-LURJTMIESA-N 1 1 281.215 3.598 20 30 CHEDMO C=C(C)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247448546 1129371092 /nfs/dbraw/zinc/37/10/92/1129371092.db2.gz JBZTZQJKNZXDRK-LSDHHAIUSA-N 1 1 263.381 3.524 20 30 CHEDMO C#CC[N@H+]([C@H](C)CC1CC1)[C@@H]1CCc2ccccc21 ZINC001258463594 1129385830 /nfs/dbraw/zinc/38/58/30/1129385830.db2.gz ATUUGCMNLAXIAL-RDTXWAMCSA-N 1 1 253.389 3.798 20 30 CHEDMO C=C(Br)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000738881385 1129399069 /nfs/dbraw/zinc/39/90/69/1129399069.db2.gz IBMMQCUTDOHDPX-CYBMUJFWSA-N 1 1 282.225 3.766 20 30 CHEDMO C=C(Br)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000738881385 1129399073 /nfs/dbraw/zinc/39/90/73/1129399073.db2.gz IBMMQCUTDOHDPX-CYBMUJFWSA-N 1 1 282.225 3.766 20 30 CHEDMO CC(C)C[N@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC000739914683 1129408914 /nfs/dbraw/zinc/40/89/14/1129408914.db2.gz NHOLJVBAVSHNEO-UHFFFAOYSA-N 1 1 294.826 3.981 20 30 CHEDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000739927497 1129409919 /nfs/dbraw/zinc/40/99/19/1129409919.db2.gz YREJCSKVXHGRCF-INIZCTEOSA-N 1 1 272.392 3.744 20 30 CHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000248373319 1129415314 /nfs/dbraw/zinc/41/53/14/1129415314.db2.gz HYCQNNPASQMFRF-QXGSTGNESA-N 1 1 298.430 3.988 20 30 CHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000093319255 1129421471 /nfs/dbraw/zinc/42/14/71/1129421471.db2.gz FHKDRURBDRVNMR-UHFFFAOYSA-N 1 1 296.370 3.802 20 30 CHEDMO CCCCCCCC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000740878536 1129422539 /nfs/dbraw/zinc/42/25/39/1129422539.db2.gz LGHJTVZLEYCQOK-SFHVURJKSA-N 1 1 296.499 3.534 20 30 CHEDMO CCCCCCCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000740878536 1129422540 /nfs/dbraw/zinc/42/25/40/1129422540.db2.gz LGHJTVZLEYCQOK-SFHVURJKSA-N 1 1 296.499 3.534 20 30 CHEDMO CCCCCCCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000740878536 1129422541 /nfs/dbraw/zinc/42/25/41/1129422541.db2.gz LGHJTVZLEYCQOK-SFHVURJKSA-N 1 1 296.499 3.534 20 30 CHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093444072 1129424073 /nfs/dbraw/zinc/42/40/73/1129424073.db2.gz UPRAPOMURATILH-MAUKXSAKSA-N 1 1 286.419 3.988 20 30 CHEDMO C=CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)C(C)C ZINC000741777061 1129451807 /nfs/dbraw/zinc/45/18/07/1129451807.db2.gz JINLKVNHZNKOGF-UHFFFAOYSA-N 1 1 287.359 3.616 20 30 CHEDMO C=CC[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1 ZINC000795854060 1129452603 /nfs/dbraw/zinc/45/26/03/1129452603.db2.gz ITIZBRSEIFTBSL-LJQANCHMSA-N 1 1 281.399 3.798 20 30 CHEDMO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1N1CCCCC1 ZINC000828041913 1131376443 /nfs/dbraw/zinc/37/64/43/1131376443.db2.gz YXCDGJLCNKZLIP-INIZCTEOSA-N 1 1 285.435 3.719 20 30 CHEDMO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1N1CCCCC1 ZINC000828041913 1131376446 /nfs/dbraw/zinc/37/64/46/1131376446.db2.gz YXCDGJLCNKZLIP-INIZCTEOSA-N 1 1 285.435 3.719 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H](CCC)Cc2ccccc2)C1 ZINC001258662885 1129470237 /nfs/dbraw/zinc/47/02/37/1129470237.db2.gz LQWRPTQJYKCUEY-SJLPKXTDSA-N 1 1 255.405 3.743 20 30 CHEDMO C=C[C@@H]1C[C@@]1([NH2+][C@@H](CCC)CCCCC)C(=O)OCC ZINC001258667716 1129480502 /nfs/dbraw/zinc/48/05/02/1129480502.db2.gz SBTIUCCZZCNQQC-VYDXJSESSA-N 1 1 281.440 3.833 20 30 CHEDMO C=C(C)CC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063665 1129520237 /nfs/dbraw/zinc/52/02/37/1129520237.db2.gz ULCBWFDTJUFQML-CJNGLKHVSA-N 1 1 263.356 3.554 20 30 CHEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063665 1129520239 /nfs/dbraw/zinc/52/02/39/1129520239.db2.gz ULCBWFDTJUFQML-CJNGLKHVSA-N 1 1 263.356 3.554 20 30 CHEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000743851212 1129540051 /nfs/dbraw/zinc/54/00/51/1129540051.db2.gz ORRLKSHIOFYMBU-KRWDZBQOSA-N 1 1 261.409 3.707 20 30 CHEDMO C#CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000744213944 1129559996 /nfs/dbraw/zinc/55/99/96/1129559996.db2.gz XPBJMOWFLFNXJS-UHFFFAOYSA-N 1 1 290.338 3.502 20 30 CHEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647343810 1129571831 /nfs/dbraw/zinc/57/18/31/1129571831.db2.gz CNELVDGTJULOPW-RWQQGDIJSA-N 1 1 286.463 3.522 20 30 CHEDMO C=CCCCCC[N@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000744433422 1129577806 /nfs/dbraw/zinc/57/78/06/1129577806.db2.gz BQNFBCSSTKKAEM-INIZCTEOSA-N 1 1 280.456 3.517 20 30 CHEDMO C=CCC[C@H](C)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC001258724609 1129580966 /nfs/dbraw/zinc/58/09/66/1129580966.db2.gz ARLGINKGNZWXFT-NSHDSACASA-N 1 1 272.314 3.887 20 30 CHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC1(Cl)Cl ZINC000744739345 1129585543 /nfs/dbraw/zinc/58/55/43/1129585543.db2.gz VVJNLORHRSFSLR-AWEZNQCLSA-N 1 1 284.230 3.911 20 30 CHEDMO CCCCCCCC[C@H](C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001137610778 1131385319 /nfs/dbraw/zinc/38/53/19/1131385319.db2.gz FUMDWYSKWYGHPE-ULQDDVLXSA-N 1 1 296.499 3.924 20 30 CHEDMO Cc1cn2cc(Nc3cccc(C4(C#N)CC4)c3)ccc2[nH+]1 ZINC001213317073 1129629609 /nfs/dbraw/zinc/62/96/09/1129629609.db2.gz SSXNZGNWWDUHAB-UHFFFAOYSA-N 1 1 288.354 3.942 20 30 CHEDMO CC[NH+](CC)c1ccc(Nc2c(N)cccc2C#N)cc1 ZINC001212970803 1129643850 /nfs/dbraw/zinc/64/38/50/1129643850.db2.gz KFSOYUVUDVIXCT-UHFFFAOYSA-N 1 1 280.375 3.730 20 30 CHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC000766379135 1129660303 /nfs/dbraw/zinc/66/03/03/1129660303.db2.gz AAHSPIVTSCEWFU-ZIAGYGMSSA-N 1 1 289.419 3.607 20 30 CHEDMO C#CC[N@H+](CC)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000746457081 1129665636 /nfs/dbraw/zinc/66/56/36/1129665636.db2.gz WGYGHXNOVWQZFS-UHFFFAOYSA-N 1 1 297.398 3.680 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)C1CCC(C)(C(=O)OC)CC1 ZINC001168794201 1129666317 /nfs/dbraw/zinc/66/63/17/1129666317.db2.gz MVRVRWLZKMIWDB-UHFFFAOYSA-N 1 1 293.451 3.929 20 30 CHEDMO CC(C)O[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000649700373 1129672191 /nfs/dbraw/zinc/67/21/91/1129672191.db2.gz CGHSWUBCYGZBIQ-QGZVFWFLSA-N 1 1 291.822 3.581 20 30 CHEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC001168858946 1129678190 /nfs/dbraw/zinc/67/81/90/1129678190.db2.gz HGOMTATUOHVNHM-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC001168858946 1129678194 /nfs/dbraw/zinc/67/81/94/1129678194.db2.gz HGOMTATUOHVNHM-UHFFFAOYSA-N 1 1 294.373 3.991 20 30 CHEDMO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC001168847960 1129679571 /nfs/dbraw/zinc/67/95/71/1129679571.db2.gz HOAVBKNDDKPVCL-LSDHHAIUSA-N 1 1 261.409 3.770 20 30 CHEDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001169687634 1129746608 /nfs/dbraw/zinc/74/66/08/1129746608.db2.gz UVJLCWYOFGLDMO-GFCCVEGCSA-N 1 1 283.400 3.526 20 30 CHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169734240 1129753555 /nfs/dbraw/zinc/75/35/55/1129753555.db2.gz TXEQKOLQBFAWJM-LSDHHAIUSA-N 1 1 296.455 3.578 20 30 CHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCOc1ccccc1C#N ZINC001169932936 1129766150 /nfs/dbraw/zinc/76/61/50/1129766150.db2.gz DYHWFAUTEWJDII-HNNXBMFYSA-N 1 1 286.419 3.838 20 30 CHEDMO C#CCCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000766913148 1129768593 /nfs/dbraw/zinc/76/85/93/1129768593.db2.gz DVJUWECLVNJTMU-UHFFFAOYSA-N 1 1 259.368 3.984 20 30 CHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000766907189 1129768749 /nfs/dbraw/zinc/76/87/49/1129768749.db2.gz WRUPFCXKLFKBRO-HNNXBMFYSA-N 1 1 292.220 3.999 20 30 CHEDMO C#CCCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000766895734 1129769193 /nfs/dbraw/zinc/76/91/93/1129769193.db2.gz RUSJJVRQGNJULW-HNNXBMFYSA-N 1 1 271.404 3.709 20 30 CHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000796529946 1129775026 /nfs/dbraw/zinc/77/50/26/1129775026.db2.gz DDODBLHAEINAJH-OAHLLOKOSA-N 1 1 272.392 3.599 20 30 CHEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc(C)c1F ZINC000828698927 1131396834 /nfs/dbraw/zinc/39/68/34/1131396834.db2.gz POUDQOOEVXWRAQ-CYBMUJFWSA-N 1 1 260.356 3.787 20 30 CHEDMO C=CCCn1cc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)nn1 ZINC000653556074 1129784027 /nfs/dbraw/zinc/78/40/27/1129784027.db2.gz MXOZRUQUHZWFBN-GOSISDBHSA-N 1 1 298.434 3.683 20 30 CHEDMO C=CCCn1cc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)nn1 ZINC000653556074 1129784029 /nfs/dbraw/zinc/78/40/29/1129784029.db2.gz MXOZRUQUHZWFBN-GOSISDBHSA-N 1 1 298.434 3.683 20 30 CHEDMO C=CC[N@H+](CCC(=O)C1CC1)Cc1ccc(Cl)s1 ZINC000767345615 1129786385 /nfs/dbraw/zinc/78/63/85/1129786385.db2.gz AEXVUTOZIMVOGP-UHFFFAOYSA-N 1 1 283.824 3.759 20 30 CHEDMO C=CC[N@@H+](CCC(=O)C1CC1)Cc1ccc(Cl)s1 ZINC000767345615 1129786381 /nfs/dbraw/zinc/78/63/81/1129786381.db2.gz AEXVUTOZIMVOGP-UHFFFAOYSA-N 1 1 283.824 3.759 20 30 CHEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)nn1 ZINC000653675851 1129791529 /nfs/dbraw/zinc/79/15/29/1129791529.db2.gz VNEOLDFNHOLHAF-HUUCEWRRSA-N 1 1 290.455 3.501 20 30 CHEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)nn1 ZINC000653675850 1129791694 /nfs/dbraw/zinc/79/16/94/1129791694.db2.gz VNEOLDFNHOLHAF-GJZGRUSLSA-N 1 1 290.455 3.501 20 30 CHEDMO Cc1[nH+]c(N(C)C(C)(C)Cc2ccccc2)ccc1CC#N ZINC001156516029 1129805370 /nfs/dbraw/zinc/80/53/70/1129805370.db2.gz VTCOHZJIQOTPMQ-UHFFFAOYSA-N 1 1 293.414 3.914 20 30 CHEDMO C=C(Cl)C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000796610608 1129818864 /nfs/dbraw/zinc/81/88/64/1129818864.db2.gz ZMPDYVUHHKCGLZ-AWEZNQCLSA-N 1 1 253.748 3.542 20 30 CHEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000796610608 1129818873 /nfs/dbraw/zinc/81/88/73/1129818873.db2.gz ZMPDYVUHHKCGLZ-AWEZNQCLSA-N 1 1 253.748 3.542 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2cc[nH]c21 ZINC000768153187 1129835720 /nfs/dbraw/zinc/83/57/20/1129835720.db2.gz ALVPEVBMJUROGZ-UHFFFAOYSA-N 1 1 255.365 3.540 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000768159346 1129836658 /nfs/dbraw/zinc/83/66/58/1129836658.db2.gz AUNFDFLZKACLHC-UHFFFAOYSA-N 1 1 297.373 3.860 20 30 CHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215024 1129844700 /nfs/dbraw/zinc/84/47/00/1129844700.db2.gz ONFJUEKBUACBAY-ABAIWWIYSA-N 1 1 286.400 3.968 20 30 CHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000768215024 1129844705 /nfs/dbraw/zinc/84/47/05/1129844705.db2.gz ONFJUEKBUACBAY-ABAIWWIYSA-N 1 1 286.400 3.968 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc2ccccc21 ZINC000768263543 1129848549 /nfs/dbraw/zinc/84/85/49/1129848549.db2.gz UPVLERMGWCETHY-UHFFFAOYSA-N 1 1 287.366 3.738 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C(C)C ZINC000768547831 1129863947 /nfs/dbraw/zinc/86/39/47/1129863947.db2.gz RBIIYUBZKQFSNB-UHFFFAOYSA-N 1 1 269.335 3.727 20 30 CHEDMO COc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c(C#N)c1 ZINC001137699764 1131403733 /nfs/dbraw/zinc/40/37/33/1131403733.db2.gz TYNLITZXNQUMKC-UHFFFAOYSA-N 1 1 284.403 3.723 20 30 CHEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c(C#N)c1 ZINC001137703549 1131404091 /nfs/dbraw/zinc/40/40/91/1131404091.db2.gz OGULDAOLGZYEHM-INIZCTEOSA-N 1 1 298.411 3.965 20 30 CHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)c(C#N)c1 ZINC001137703549 1131404095 /nfs/dbraw/zinc/40/40/95/1131404095.db2.gz OGULDAOLGZYEHM-INIZCTEOSA-N 1 1 298.411 3.965 20 30 CHEDMO CCN(CC)c1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1F ZINC000768880133 1129879948 /nfs/dbraw/zinc/87/99/48/1129879948.db2.gz CREJJNZFHCHIGU-AWEZNQCLSA-N 1 1 291.414 3.653 20 30 CHEDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1F ZINC000768880133 1129879951 /nfs/dbraw/zinc/87/99/51/1129879951.db2.gz CREJJNZFHCHIGU-AWEZNQCLSA-N 1 1 291.414 3.653 20 30 CHEDMO COc1ccc(C[N@H+](C)C/C=C/c2ccccc2)c(C#N)c1 ZINC001137704666 1131404459 /nfs/dbraw/zinc/40/44/59/1131404459.db2.gz PEPRZVOLAOJEGQ-RMKNXTFCSA-N 1 1 292.382 3.712 20 30 CHEDMO COc1ccc(C[N@@H+](C)C/C=C/c2ccccc2)c(C#N)c1 ZINC001137704666 1131404463 /nfs/dbraw/zinc/40/44/63/1131404463.db2.gz PEPRZVOLAOJEGQ-RMKNXTFCSA-N 1 1 292.382 3.712 20 30 CHEDMO C#CCOc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000768925377 1129881305 /nfs/dbraw/zinc/88/13/05/1129881305.db2.gz HKBKCNSFNJEQGJ-UHFFFAOYSA-N 1 1 294.398 3.504 20 30 CHEDMO C#CCCOc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000768936993 1129882183 /nfs/dbraw/zinc/88/21/83/1129882183.db2.gz KLTGYOQKPXXWHS-UHFFFAOYSA-N 1 1 259.393 3.567 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)CCC(C)C)c(O)c1 ZINC000769335982 1129902858 /nfs/dbraw/zinc/90/28/58/1129902858.db2.gz ZOXPDJHOPNBGLY-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(O)c1 ZINC000769333962 1129903315 /nfs/dbraw/zinc/90/33/15/1129903315.db2.gz ANFYOGIDARNXTD-UHFFFAOYSA-N 1 1 290.407 3.553 20 30 CHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446918 1129910418 /nfs/dbraw/zinc/91/04/18/1129910418.db2.gz DRXUMSCLHBPIRI-DOTOQJQBSA-N 1 1 285.435 3.657 20 30 CHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769448473 1129911038 /nfs/dbraw/zinc/91/10/38/1129911038.db2.gz RVXHIEHDTZPGGX-SQWLQELKSA-N 1 1 272.392 3.598 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000829810633 1129913080 /nfs/dbraw/zinc/91/30/80/1129913080.db2.gz SHMQBLAWLSDESR-MRXNPFEDSA-N 1 1 280.415 3.723 20 30 CHEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769518782 1129915832 /nfs/dbraw/zinc/91/58/32/1129915832.db2.gz CXLHOWAAKSIVDY-GOSISDBHSA-N 1 1 285.435 3.658 20 30 CHEDMO C=CC[C@H]1[N@H+](Cc2ncc(Cl)n2C)CCCC1(C)C ZINC000769953382 1129931674 /nfs/dbraw/zinc/93/16/74/1129931674.db2.gz JYEWSJITASIKJC-GFCCVEGCSA-N 1 1 281.831 3.640 20 30 CHEDMO C=CC[C@H]1[N@@H+](Cc2ncc(Cl)n2C)CCCC1(C)C ZINC000769953382 1129931675 /nfs/dbraw/zinc/93/16/75/1129931675.db2.gz JYEWSJITASIKJC-GFCCVEGCSA-N 1 1 281.831 3.640 20 30 CHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000770025053 1129936796 /nfs/dbraw/zinc/93/67/96/1129936796.db2.gz CPWVYPMWYOESTD-INIZCTEOSA-N 1 1 277.456 3.960 20 30 CHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000770697583 1129956006 /nfs/dbraw/zinc/95/60/06/1129956006.db2.gz BNDQDEROWUCBRM-UHFFFAOYSA-N 1 1 290.794 3.618 20 30 CHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000770697583 1129956009 /nfs/dbraw/zinc/95/60/09/1129956009.db2.gz BNDQDEROWUCBRM-UHFFFAOYSA-N 1 1 290.794 3.618 20 30 CHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000801916220 1129958501 /nfs/dbraw/zinc/95/85/01/1129958501.db2.gz ROKNNIICKWJOTC-HNAYVOBHSA-N 1 1 294.398 3.905 20 30 CHEDMO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCO[C@H](C)C#N)c1 ZINC000801921715 1129959352 /nfs/dbraw/zinc/95/93/52/1129959352.db2.gz KQQQPSUGXIFWBM-AEFFLSMTSA-N 1 1 286.419 3.841 20 30 CHEDMO CC(C)(C)C[N@H+](CCC#N)CCSC(C)(C)C ZINC000801922981 1129959410 /nfs/dbraw/zinc/95/94/10/1129959410.db2.gz VOGUJKARCJDBJK-UHFFFAOYSA-N 1 1 256.459 3.780 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000801922821 1129959436 /nfs/dbraw/zinc/95/94/36/1129959436.db2.gz POAWBMYLDLJVIA-HOTGVXAUSA-N 1 1 286.419 3.778 20 30 CHEDMO Cc1cccc([C@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)c1C ZINC000801925153 1129960151 /nfs/dbraw/zinc/96/01/51/1129960151.db2.gz GAQWJPQIPISLFF-CRAIPNDOSA-N 1 1 286.419 3.759 20 30 CHEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCO[C@H](C)C#N)cc1 ZINC000801935541 1129961423 /nfs/dbraw/zinc/96/14/23/1129961423.db2.gz AAQVXLBAZXFPKJ-QAPCUYQASA-N 1 1 286.419 3.876 20 30 CHEDMO C[C@@H](C#N)OCC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000801934249 1129961606 /nfs/dbraw/zinc/96/16/06/1129961606.db2.gz IGUORLIQRJUCMM-AWEZNQCLSA-N 1 1 292.382 3.617 20 30 CHEDMO C[C@@H](C#N)OCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000801937981 1129962133 /nfs/dbraw/zinc/96/21/33/1129962133.db2.gz BEMPGCVAASQHBY-JTQLQIEISA-N 1 1 299.201 3.501 20 30 CHEDMO C=C(C)C[N@@H+](C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801938690 1129962304 /nfs/dbraw/zinc/96/23/04/1129962304.db2.gz HSLWCXJRJRRZGB-OAHLLOKOSA-N 1 1 296.455 3.532 20 30 CHEDMO CCCCCCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC001137748620 1131411340 /nfs/dbraw/zinc/41/13/40/1131411340.db2.gz HYHQDLCQLVKYHW-UHFFFAOYSA-N 1 1 271.836 3.784 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC001137748620 1131411342 /nfs/dbraw/zinc/41/13/42/1131411342.db2.gz HYHQDLCQLVKYHW-UHFFFAOYSA-N 1 1 271.836 3.784 20 30 CHEDMO CCCCCCCCC[N@H+](C)Cc1nnc2n1CCCC2 ZINC000771796276 1129989690 /nfs/dbraw/zinc/98/96/90/1129989690.db2.gz LSRZLEWASJJNDZ-UHFFFAOYSA-N 1 1 292.471 3.797 20 30 CHEDMO CCCCCCCCC[N@@H+](C)Cc1nnc2n1CCCC2 ZINC000771796276 1129989692 /nfs/dbraw/zinc/98/96/92/1129989692.db2.gz LSRZLEWASJJNDZ-UHFFFAOYSA-N 1 1 292.471 3.797 20 30 CHEDMO C[C@H](C#N)OCC[N@@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000823110483 1131412599 /nfs/dbraw/zinc/41/25/99/1131412599.db2.gz VYJQAFXLDBKVNJ-HZPDHXFCSA-N 1 1 286.419 3.921 20 30 CHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000771941134 1129998098 /nfs/dbraw/zinc/99/80/98/1129998098.db2.gz YEUAGGQMJJRXTQ-SFHVURJKSA-N 1 1 277.367 3.646 20 30 CHEDMO C=CC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccncc1 ZINC000772457605 1130024456 /nfs/dbraw/zinc/02/44/56/1130024456.db2.gz XZPJOUNWJGEYSF-AAEUAGOBSA-N 1 1 259.378 3.506 20 30 CHEDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792801 1130058852 /nfs/dbraw/zinc/05/88/52/1130058852.db2.gz DKIKGEQTLBJICX-PKOBYXMFSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792801 1130058856 /nfs/dbraw/zinc/05/88/56/1130058856.db2.gz DKIKGEQTLBJICX-PKOBYXMFSA-N 1 1 299.462 3.719 20 30 CHEDMO CC[C@@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1 ZINC000902792801 1130058861 /nfs/dbraw/zinc/05/88/61/1130058861.db2.gz DKIKGEQTLBJICX-PKOBYXMFSA-N 1 1 299.462 3.719 20 30 CHEDMO C=CCC[N@H+](C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000786446963 1130096606 /nfs/dbraw/zinc/09/66/06/1130096606.db2.gz SEEZMGKIMQLVAS-CYBMUJFWSA-N 1 1 271.364 3.614 20 30 CHEDMO Cc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)C2CCC2)o1 ZINC000903031058 1130102006 /nfs/dbraw/zinc/10/20/06/1130102006.db2.gz AXZVDSRTZYMLAB-HNNXBMFYSA-N 1 1 258.365 3.713 20 30 CHEDMO CCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000903032160 1130102766 /nfs/dbraw/zinc/10/27/66/1130102766.db2.gz QXCPFAWDGUDHQV-CQSZACIVSA-N 1 1 272.392 3.820 20 30 CHEDMO COc1ccc([C@H]([NH2+]CC2(C#N)CCC2)C2CC2)c(F)c1 ZINC000903034676 1130103041 /nfs/dbraw/zinc/10/30/41/1130103041.db2.gz AMOOISJRVXCIGT-MRXNPFEDSA-N 1 1 288.366 3.569 20 30 CHEDMO N#CC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCC1 ZINC000903032163 1130103177 /nfs/dbraw/zinc/10/31/77/1130103177.db2.gz RFGBYDWOUJJNLP-CYBMUJFWSA-N 1 1 276.380 3.646 20 30 CHEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 ZINC000903100311 1130112115 /nfs/dbraw/zinc/11/21/15/1130112115.db2.gz NJFKOJCFDMUUTO-SNVBAGLBSA-N 1 1 286.297 3.786 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000903100529 1130112132 /nfs/dbraw/zinc/11/21/32/1130112132.db2.gz ROHFEXMAPZPCFO-ZDUSSCGKSA-N 1 1 278.783 3.693 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000903100200 1130112405 /nfs/dbraw/zinc/11/24/05/1130112405.db2.gz JVPNZZZKQOINCL-CQSZACIVSA-N 1 1 270.376 3.572 20 30 CHEDMO CC(C)(C#N)C[NH2+][C@@H](CCc1ccccc1)c1cccnc1 ZINC000903101685 1130112417 /nfs/dbraw/zinc/11/24/17/1130112417.db2.gz KXDVXVUXNFKKGT-SFHVURJKSA-N 1 1 293.414 3.895 20 30 CHEDMO COc1ccc2oc([C@H](C)[NH2+]CC(C)(C)C#N)c(C)c2c1 ZINC000903100750 1130112431 /nfs/dbraw/zinc/11/24/31/1130112431.db2.gz WWPFAKFWRUXYGH-LBPRGKRZSA-N 1 1 286.375 3.950 20 30 CHEDMO CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903106368 1130113254 /nfs/dbraw/zinc/11/32/54/1130113254.db2.gz OPUIUVYWLWJRRY-MRXNPFEDSA-N 1 1 284.403 3.917 20 30 CHEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cn1 ZINC000903109303 1130114491 /nfs/dbraw/zinc/11/44/91/1130114491.db2.gz MYWMHMMHCZUPLC-OAHLLOKOSA-N 1 1 275.371 3.591 20 30 CHEDMO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107893 1130114743 /nfs/dbraw/zinc/11/47/43/1130114743.db2.gz HNSIFZLJDSXOBJ-CQSZACIVSA-N 1 1 272.392 3.738 20 30 CHEDMO N#CC1(C[NH2+][C@H]2CCSc3ccccc32)CCCC1 ZINC000903108111 1130115021 /nfs/dbraw/zinc/11/50/21/1130115021.db2.gz MSIQVUVHHVDNRZ-AWEZNQCLSA-N 1 1 272.417 3.897 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OCC)c(F)c1)C(C)C ZINC000787101091 1130131878 /nfs/dbraw/zinc/13/18/78/1130131878.db2.gz KVUWOUCSBHPQSW-UHFFFAOYSA-N 1 1 251.345 3.621 20 30 CHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl ZINC000746650540 1130137662 /nfs/dbraw/zinc/13/76/62/1130137662.db2.gz AKKWFQBRQZUGQX-CQSZACIVSA-N 1 1 297.229 3.962 20 30 CHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000787308783 1130146280 /nfs/dbraw/zinc/14/62/80/1130146280.db2.gz GEVNMIZCABDELK-HOCLYGCPSA-N 1 1 270.376 3.518 20 30 CHEDMO C#CC[C@H]([NH2+][C@H](C)c1cn2ccccc2n1)c1ccccc1 ZINC000788688364 1130201138 /nfs/dbraw/zinc/20/11/38/1130201138.db2.gz SLOJXGNCARRZOX-WBVHZDCISA-N 1 1 289.382 3.750 20 30 CHEDMO N#Cc1ccc(CNc2[nH+]ccc3cc(F)ccc32)cc1F ZINC001170089610 1130208329 /nfs/dbraw/zinc/20/83/29/1130208329.db2.gz WYIXIKHWBWZORR-UHFFFAOYSA-N 1 1 295.292 3.997 20 30 CHEDMO C[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001170097869 1130231323 /nfs/dbraw/zinc/23/13/23/1130231323.db2.gz GCTRJXMAHXDOID-NKWVEPMBSA-N 1 1 281.215 3.598 20 30 CHEDMO CC(C)C[N@@H+](CCC#N)CC[C@@H](C)OCc1ccccc1 ZINC000789325876 1130243569 /nfs/dbraw/zinc/24/35/69/1130243569.db2.gz JJLUTAVOBTWNJE-QGZVFWFLSA-N 1 1 288.435 3.853 20 30 CHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](CC)CCCC)n1 ZINC000789330182 1130244611 /nfs/dbraw/zinc/24/46/11/1130244611.db2.gz ZFGVOLIHRBJXBG-MRXNPFEDSA-N 1 1 275.440 3.555 20 30 CHEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000789328509 1130244937 /nfs/dbraw/zinc/24/49/37/1130244937.db2.gz ARLQQSUUOFPZCC-SJORKVTESA-N 1 1 287.451 3.555 20 30 CHEDMO CCC#C[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000677048216 1130283440 /nfs/dbraw/zinc/28/34/40/1130283440.db2.gz QCNSHZGIRZRBJF-JTQLQIEISA-N 1 1 286.238 3.744 20 30 CHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000677048216 1130283443 /nfs/dbraw/zinc/28/34/43/1130283443.db2.gz QCNSHZGIRZRBJF-JTQLQIEISA-N 1 1 286.238 3.744 20 30 CHEDMO C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC001254669575 1130285179 /nfs/dbraw/zinc/28/51/79/1130285179.db2.gz SWWJZMFLZLJRQB-ZFWWWQNUSA-N 1 1 262.784 3.507 20 30 CHEDMO N#Cc1cc(-c2cc(N)c(C(F)(F)F)c[nH+]2)ccc1Cl ZINC001240398820 1130291990 /nfs/dbraw/zinc/29/19/90/1130291990.db2.gz DBORNNHEDKOOKV-UHFFFAOYSA-N 1 1 297.667 3.875 20 30 CHEDMO Cc1csc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001137291131 1130305902 /nfs/dbraw/zinc/30/59/02/1130305902.db2.gz FUZLJSOWTIKHPQ-NSHDSACASA-N 1 1 268.813 3.836 20 30 CHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000677564953 1130315809 /nfs/dbraw/zinc/31/58/09/1130315809.db2.gz OHYNAJAAHMTJJF-UHFFFAOYSA-N 1 1 258.390 3.818 20 30 CHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000826946925 1130317596 /nfs/dbraw/zinc/31/75/96/1130317596.db2.gz LXOZEVZYDVEQFI-HOTGVXAUSA-N 1 1 284.403 3.766 20 30 CHEDMO COCC#CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000677817733 1130334296 /nfs/dbraw/zinc/33/42/96/1130334296.db2.gz AOYKQFNTTNWETI-UHFFFAOYSA-N 1 1 299.336 3.566 20 30 CHEDMO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)C1 ZINC001170151816 1130359851 /nfs/dbraw/zinc/35/98/51/1130359851.db2.gz SHBJONJAKMIUPB-OIISXLGYSA-N 1 1 284.403 3.590 20 30 CHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[C@@H](C)C1 ZINC001170153903 1130365398 /nfs/dbraw/zinc/36/53/98/1130365398.db2.gz TWEIAVNIWHPYSZ-UWWQBHOKSA-N 1 1 253.389 3.798 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000791569229 1130381652 /nfs/dbraw/zinc/38/16/52/1130381652.db2.gz STBZQXIVIVJZBM-IBGZPJMESA-N 1 1 281.399 3.798 20 30 CHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000791569616 1130382846 /nfs/dbraw/zinc/38/28/46/1130382846.db2.gz WMUOVQKCLHTUNK-IBGZPJMESA-N 1 1 299.389 3.937 20 30 CHEDMO CCCCCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792198363 1130437064 /nfs/dbraw/zinc/43/70/64/1130437064.db2.gz CKTFSKQNBHMMMN-SFHVURJKSA-N 1 1 296.499 3.534 20 30 CHEDMO CCCCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000792199804 1130438205 /nfs/dbraw/zinc/43/82/05/1130438205.db2.gz KXPQPHSFUMCBKH-UHFFFAOYSA-N 1 1 294.405 3.917 20 30 CHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001170163938 1130441339 /nfs/dbraw/zinc/44/13/39/1130441339.db2.gz WOGIOHANCUFNAG-BEFAXECRSA-N 1 1 291.398 3.926 20 30 CHEDMO CCCCCCCCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000792297160 1130443680 /nfs/dbraw/zinc/44/36/80/1130443680.db2.gz JUZWFUATKGORMK-WKILWMFISA-N 1 1 255.446 3.972 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2ccc(F)cc12)Cc1cccc(C#N)c1 ZINC001137342824 1130445122 /nfs/dbraw/zinc/44/51/22/1130445122.db2.gz OAYZXKMTAXDVRT-UHFFFAOYSA-N 1 1 293.345 3.811 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678723058 1130447182 /nfs/dbraw/zinc/44/71/82/1130447182.db2.gz BIZLAYWJFFEROH-GVDBMIGSSA-N 1 1 265.441 3.870 20 30 CHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000678715146 1130447507 /nfs/dbraw/zinc/44/75/07/1130447507.db2.gz CUOUVUYUFCLRFE-GOEBONIOSA-N 1 1 273.424 3.709 20 30 CHEDMO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000103482538 1130458642 /nfs/dbraw/zinc/45/86/42/1130458642.db2.gz YTHDRQPJUZSDRX-UHFFFAOYSA-N 1 1 286.325 3.861 20 30 CHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001170196343 1130461434 /nfs/dbraw/zinc/46/14/34/1130461434.db2.gz ZGELGGJGXKUUNP-OALUTQOASA-N 1 1 287.447 3.757 20 30 CHEDMO CCCCCCCCC[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC001170244681 1130467259 /nfs/dbraw/zinc/46/72/59/1130467259.db2.gz QSWDTWOFROPKCT-UHFFFAOYSA-N 1 1 295.427 3.705 20 30 CHEDMO C#CC[N@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC001170374924 1130488795 /nfs/dbraw/zinc/48/87/95/1130488795.db2.gz ASJBDJJYLIMOST-UHFFFAOYSA-N 1 1 297.320 3.572 20 30 CHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(C)nn2C)cc1 ZINC001240862299 1130494929 /nfs/dbraw/zinc/49/49/29/1130494929.db2.gz MPYMLQCQUZSINJ-KRWDZBQOSA-N 1 1 281.403 3.718 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ccc(-n2ccnn2)cc1 ZINC001137365535 1130495286 /nfs/dbraw/zinc/49/52/86/1130495286.db2.gz KNONYBIPIGDMHR-UHFFFAOYSA-N 1 1 286.423 3.670 20 30 CHEDMO Fc1ccc2c(cc[nH+]c2NCC#Cc2ccccc2)c1 ZINC001170424123 1130513398 /nfs/dbraw/zinc/51/33/98/1130513398.db2.gz QFBCYISRWVGGAB-UHFFFAOYSA-N 1 1 276.314 3.838 20 30 CHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1 ZINC000793353365 1130542911 /nfs/dbraw/zinc/54/29/11/1130542911.db2.gz SDKRBJBNECHSEL-HOCLYGCPSA-N 1 1 286.419 3.988 20 30 CHEDMO C=CCCCCC[C@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000793545871 1130568017 /nfs/dbraw/zinc/56/80/17/1130568017.db2.gz DJCSKUSLXLSUBQ-UONOGXRCSA-N 1 1 263.429 3.764 20 30 CHEDMO C=CC[N@H+](CC1CCCCC1)Cn1cc(C)cnc1=S ZINC000758322812 1130605944 /nfs/dbraw/zinc/60/59/44/1130605944.db2.gz KYHFAJBMOTUUJG-UHFFFAOYSA-N 1 1 291.464 3.947 20 30 CHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cc(C)cnc1=S ZINC000758322812 1130605948 /nfs/dbraw/zinc/60/59/48/1130605948.db2.gz KYHFAJBMOTUUJG-UHFFFAOYSA-N 1 1 291.464 3.947 20 30 CHEDMO Brc1cnn([NH+]=C2CCCCCCC2)c1 ZINC000752745371 1130607316 /nfs/dbraw/zinc/60/73/16/1130607316.db2.gz CRFLDBCBPCNVCG-UHFFFAOYSA-N 1 1 270.174 3.594 20 30 CHEDMO C=CCCCC[N@@H+](C)Cc1c(Cl)nccc1N(C)C ZINC001234149542 1130612201 /nfs/dbraw/zinc/61/22/01/1130612201.db2.gz BBIXGHDGHWIXCK-UHFFFAOYSA-N 1 1 281.831 3.589 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1c(Cl)nccc1N(C)C ZINC001234149542 1130612204 /nfs/dbraw/zinc/61/22/04/1130612204.db2.gz BBIXGHDGHWIXCK-UHFFFAOYSA-N 1 1 281.831 3.589 20 30 CHEDMO C=CCCC[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811465029 1130612299 /nfs/dbraw/zinc/61/22/99/1130612299.db2.gz AQEKMRUOAOSBOJ-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C=CCCC[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000811465029 1130612302 /nfs/dbraw/zinc/61/23/02/1130612302.db2.gz AQEKMRUOAOSBOJ-UHFFFAOYSA-N 1 1 259.180 3.786 20 30 CHEDMO C=CCC(CC=C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000758525359 1130616148 /nfs/dbraw/zinc/61/61/48/1130616148.db2.gz WTYAOEZENKMZEX-GOSISDBHSA-N 1 1 299.414 3.573 20 30 CHEDMO CC(=[NH+]Nc1ccccc1)c1ccc(F)cc1N(C)C ZINC000759180386 1130641397 /nfs/dbraw/zinc/64/13/97/1130641397.db2.gz ZGXRHCXVRUJCMC-UHFFFAOYSA-N 1 1 271.339 3.728 20 30 CHEDMO CC[N@H+]1CCC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234428657 1130643547 /nfs/dbraw/zinc/64/35/47/1130643547.db2.gz WFZSIOIWALDYFW-NSHDSACASA-N 1 1 299.201 3.728 20 30 CHEDMO CC(C)c1c(C#N)cccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001234854518 1130683229 /nfs/dbraw/zinc/68/32/29/1130683229.db2.gz OSKZEORMWOTUDG-OAHLLOKOSA-N 1 1 272.392 3.545 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1cccc(N2CCCC2)c1 ZINC001235096875 1130710131 /nfs/dbraw/zinc/71/01/31/1130710131.db2.gz MQKOPLKDDMEUMW-UHFFFAOYSA-N 1 1 258.409 3.685 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(OCC)cc1)c1ccc(F)cc1 ZINC000812793415 1130717177 /nfs/dbraw/zinc/71/71/77/1130717177.db2.gz SVZOSVTYCKRAIU-SFHVURJKSA-N 1 1 283.346 3.689 20 30 CHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccc(F)cc1 ZINC000812795315 1130718455 /nfs/dbraw/zinc/71/84/55/1130718455.db2.gz QXMDAMYVGFGHJH-KRWDZBQOSA-N 1 1 283.346 3.607 20 30 CHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848446 1130721390 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1131642492 /nfs/dbraw/zinc/64/24/92/1131642492.db2.gz PLFZCDUDWUPGAW-UHFFFAOYSA-N 1 1 294.483 3.703 20 30 CHEDMO CCCCCCCCCC[N@@H+](C)Cc1nccnc1N ZINC001140013893 1131656037 /nfs/dbraw/zinc/65/60/37/1131656037.db2.gz KOLFDWQSKJLYQC-UHFFFAOYSA-N 1 1 278.444 3.631 20 30 CHEDMO C#Cc1ccc(C[N@@H+](C)CCCc2ccccc2)cc1 ZINC001144573586 1131660788 /nfs/dbraw/zinc/66/07/88/1131660788.db2.gz MAZFDNJHFCIMLW-UHFFFAOYSA-N 1 1 263.384 3.733 20 30 CHEDMO C#Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC001144568105 1131660957 /nfs/dbraw/zinc/66/09/57/1131660957.db2.gz LGOAAMFZUKXCMX-OAHLLOKOSA-N 1 1 261.368 3.787 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)cc1 ZINC001144573375 1131660987 /nfs/dbraw/zinc/66/09/87/1131660987.db2.gz HUVIAQUEPRTPTI-LJQANCHMSA-N 1 1 291.394 3.630 20 30 CHEDMO C#Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc1 ZINC001144576917 1131661634 /nfs/dbraw/zinc/66/16/34/1131661634.db2.gz VRWAMSFJCKMMSH-UHFFFAOYSA-N 1 1 271.379 3.772 20 30 CHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1Cl ZINC001140088106 1131662359 /nfs/dbraw/zinc/66/23/59/1131662359.db2.gz ZAZRNUDGZSQYOJ-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1Cl ZINC001140088106 1131662363 /nfs/dbraw/zinc/66/23/63/1131662363.db2.gz ZAZRNUDGZSQYOJ-UHFFFAOYSA-N 1 1 286.762 3.549 20 30 CHEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CCCCC1 ZINC001140111286 1131665274 /nfs/dbraw/zinc/66/52/74/1131665274.db2.gz HXRWYFWPHJOAEI-UHFFFAOYSA-N 1 1 267.376 3.804 20 30 CHEDMO CCC(CC)[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115465 1131665305 /nfs/dbraw/zinc/66/53/05/1131665305.db2.gz BORJLUKDQCAPKW-UHFFFAOYSA-N 1 1 255.365 3.660 20 30 CHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115805 1131665970 /nfs/dbraw/zinc/66/59/70/1131665970.db2.gz MNACNCXMZOHVJJ-QGZVFWFLSA-N 1 1 267.376 3.660 20 30 CHEDMO CCCCCCC[N@@H+](C)Cc1ncn2ccccc12 ZINC001144622516 1131668788 /nfs/dbraw/zinc/66/87/88/1131668788.db2.gz IQRKQBIREDDGKQ-UHFFFAOYSA-N 1 1 259.397 3.737 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001171203345 1131676737 /nfs/dbraw/zinc/67/67/37/1131676737.db2.gz LNPWOCSWUAMVFZ-OAGGEKHMSA-N 1 1 270.420 3.857 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001171203349 1131677315 /nfs/dbraw/zinc/67/73/15/1131677315.db2.gz LNPWOCSWUAMVFZ-PMPSAXMXSA-N 1 1 270.420 3.857 20 30 CHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)ccc1F ZINC000846009872 1131678424 /nfs/dbraw/zinc/67/84/24/1131678424.db2.gz DMCVXBQVZFOUGE-GFCCVEGCSA-N 1 1 276.355 3.569 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1cnc(SC)nc1N ZINC001140249465 1131681001 /nfs/dbraw/zinc/68/10/01/1131681001.db2.gz WFHSQAFLDADGLF-UHFFFAOYSA-N 1 1 296.484 3.573 20 30 CHEDMO CCCCCCCC[N@H+](C)Cc1ccncc1O ZINC001140278599 1131687471 /nfs/dbraw/zinc/68/74/71/1131687471.db2.gz UJLVKSABUYYVCE-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO CCCCCCCC[N@@H+](C)Cc1ccncc1O ZINC001140278599 1131687473 /nfs/dbraw/zinc/68/74/73/1131687473.db2.gz UJLVKSABUYYVCE-UHFFFAOYSA-N 1 1 250.386 3.580 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1cccc2cc[nH]c21 ZINC001144716636 1131689609 /nfs/dbraw/zinc/68/96/09/1131689609.db2.gz GOOANWJAUPVCPM-UHFFFAOYSA-N 1 1 255.365 3.684 20 30 CHEDMO CCC[N@H+](CCC#N)Cc1cccc(-c2nccs2)c1 ZINC001140337470 1131702998 /nfs/dbraw/zinc/70/29/98/1131702998.db2.gz PPXXQHCIGGUGTO-UHFFFAOYSA-N 1 1 285.416 3.936 20 30 CHEDMO CCC[N@@H+](CCC#N)Cc1cccc(-c2nccs2)c1 ZINC001140337470 1131703000 /nfs/dbraw/zinc/70/30/00/1131703000.db2.gz PPXXQHCIGGUGTO-UHFFFAOYSA-N 1 1 285.416 3.936 20 30 CHEDMO C[N@@H+](Cc1ccc2scnc2c1)Cc1cccc(C#N)c1 ZINC001144744068 1131703706 /nfs/dbraw/zinc/70/37/06/1131703706.db2.gz HZNAACRMGWBWQQ-UHFFFAOYSA-N 1 1 293.395 3.800 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001171220882 1131706407 /nfs/dbraw/zinc/70/64/07/1131706407.db2.gz FGIOVQBKTDJXPL-WFASDCNBSA-N 1 1 296.336 3.764 20 30 CHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC[C@@H]1C ZINC001171221798 1131706953 /nfs/dbraw/zinc/70/69/53/1131706953.db2.gz VBEJPUTYOUICRN-GJZGRUSLSA-N 1 1 256.393 3.754 20 30 CHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1 ZINC001171222044 1131707616 /nfs/dbraw/zinc/70/76/16/1131707616.db2.gz ZYGBFISBUVFBHT-MRXNPFEDSA-N 1 1 294.398 3.500 20 30 CHEDMO C=CCCCCCCCCC(=O)NCCn1cc[nH+]c1C ZINC001144798504 1131708648 /nfs/dbraw/zinc/70/86/48/1131708648.db2.gz SSCNQIWMDJMOEL-UHFFFAOYSA-N 1 1 291.439 3.615 20 30 CHEDMO C=CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC001171230440 1131714219 /nfs/dbraw/zinc/71/42/19/1131714219.db2.gz DNMZDDMMRAKSHE-CQSZACIVSA-N 1 1 256.393 3.776 20 30 CHEDMO C=CC(C)(C)C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000834883329 1131717399 /nfs/dbraw/zinc/71/73/99/1131717399.db2.gz JESQMIAYISEJEI-CYBMUJFWSA-N 1 1 251.345 3.784 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1nc(Cl)ccc1C ZINC001140446509 1131740354 /nfs/dbraw/zinc/74/03/54/1131740354.db2.gz KIUMXONRHCRUPM-UHFFFAOYSA-N 1 1 252.789 3.832 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000847020608 1131771527 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ZINC001140599907 1131820927 /nfs/dbraw/zinc/82/09/27/1131820927.db2.gz WIRXPHCACDVHBW-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1Cl ZINC001140599907 1131820931 /nfs/dbraw/zinc/82/09/31/1131820931.db2.gz WIRXPHCACDVHBW-UHFFFAOYSA-N 1 1 288.753 3.983 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001140600473 1131821665 /nfs/dbraw/zinc/82/16/65/1131821665.db2.gz KYIPCLJAXJMNFT-OKILXGFUSA-N 1 1 274.795 3.834 20 30 CHEDMO N#Cc1ccc(Cl)c(C[NH+]2CC(c3ccccc3)C2)c1 ZINC001140602297 1131823495 /nfs/dbraw/zinc/82/34/95/1131823495.db2.gz IYWRJKFSUGNONP-UHFFFAOYSA-N 1 1 282.774 3.811 20 30 CHEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001140602802 1131823657 /nfs/dbraw/zinc/82/36/57/1131823657.db2.gz PVUTUBZJOQMQFU-BBRMVZONSA-N 1 1 274.795 3.976 20 30 CHEDMO C=CC[N@H+](Cc1ccc(O)c(C)c1O)C1CCCCC1 ZINC001140749566 1131906521 /nfs/dbraw/zinc/90/65/21/1131906521.db2.gz FGLWCUQSDAGQLH-UHFFFAOYSA-N 1 1 275.392 3.727 20 30 CHEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1F ZINC001140755211 1131907426 /nfs/dbraw/zinc/90/74/26/1131907426.db2.gz VMNIDPGIPFREBG-BLLLJJGKSA-N 1 1 276.330 3.601 20 30 CHEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000773005542 1131915722 /nfs/dbraw/zinc/91/57/22/1131915722.db2.gz RNJMIZRYPBELIH-LBPRGKRZSA-N 1 1 272.175 3.896 20 30 CHEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000773003927 1131916275 /nfs/dbraw/zinc/91/62/75/1131916275.db2.gz IRUQAHJZIWOAMT-GFCCVEGCSA-N 1 1 275.783 3.584 20 30 CHEDMO C=C(Cl)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000773005849 1131917617 /nfs/dbraw/zinc/91/76/17/1131917617.db2.gz USYMPFZPWBPOOJ-CYBMUJFWSA-N 1 1 263.768 3.775 20 30 CHEDMO C=CCCCC[N@H+](C)Cc1cccc(C#N)c1Cl ZINC001140812661 1131932239 /nfs/dbraw/zinc/93/22/39/1131932239.db2.gz FKEUDAAHJNUPJY-UHFFFAOYSA-N 1 1 262.784 4.000 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C(F)F)C2)c1Cl ZINC001140809952 1131933514 /nfs/dbraw/zinc/93/35/14/1131933514.db2.gz OBQJVKJXSFRDIH-LBPRGKRZSA-N 1 1 284.737 3.689 20 30 CHEDMO C=CC[N@@H+](Cc1ccc(O)c(F)c1F)C1CCCCC1 ZINC001140892258 1131959177 /nfs/dbraw/zinc/95/91/77/1131959177.db2.gz GSBBDRKCSRFFLJ-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO C=CC[N@H+](Cc1ccc(O)c(F)c1F)C1CCCCC1 ZINC001140892258 1131959188 /nfs/dbraw/zinc/95/91/88/1131959188.db2.gz GSBBDRKCSRFFLJ-UHFFFAOYSA-N 1 1 281.346 3.991 20 30 CHEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228969054 1131988206 /nfs/dbraw/zinc/98/82/06/1131988206.db2.gz XSLKAYCHKUGFSV-SFHVURJKSA-N 1 1 280.371 3.573 20 30 CHEDMO C=CC[N@@H+](Cc1ccn2ccnc2c1)C1CCCCC1 ZINC001141050069 1131995837 /nfs/dbraw/zinc/99/58/37/1131995837.db2.gz YKUHQXDQYGFWHQ-UHFFFAOYSA-N 1 1 269.392 3.655 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC001141092591 1132011450 /nfs/dbraw/zinc/01/14/50/1132011450.db2.gz VYYQLCYQFFMBIS-ZDUSSCGKSA-N 1 1 292.220 3.603 20 30 CHEDMO C[N@H+](CCC#N)Cc1ccccc1-c1cccs1 ZINC001141093360 1132012528 /nfs/dbraw/zinc/01/25/28/1132012528.db2.gz XPGGWWGDDQDYKV-UHFFFAOYSA-N 1 1 256.374 3.761 20 30 CHEDMO C[N@@H+](CCC#N)Cc1ccccc1-c1cccs1 ZINC001141093360 1132012531 /nfs/dbraw/zinc/01/25/31/1132012531.db2.gz XPGGWWGDDQDYKV-UHFFFAOYSA-N 1 1 256.374 3.761 20 30 CHEDMO C=C[C@@H](CCCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229084079 1132014207 /nfs/dbraw/zinc/01/42/07/1132014207.db2.gz SZXKNNGWOMOLQH-NSHDSACASA-N 1 1 280.343 3.644 20 30 CHEDMO CCC[N@H+](Cc1sc(N)c(C#N)c1Cl)CC(C)C ZINC001141114025 1132021965 /nfs/dbraw/zinc/02/19/65/1132021965.db2.gz ZCCGASAGMOPSLV-UHFFFAOYSA-N 1 1 285.844 3.723 20 30 CHEDMO CCCC[N@H+](CCC#N)Cc1ccnc2ccc(OC)cc12 ZINC001141149040 1132027523 /nfs/dbraw/zinc/02/75/23/1132027523.db2.gz CWLFHGGEHLESRH-UHFFFAOYSA-N 1 1 297.402 3.759 20 30 CHEDMO CCCC[N@@H+](CCC#N)Cc1ccnc2ccc(OC)cc12 ZINC001141149040 1132027531 /nfs/dbraw/zinc/02/75/31/1132027531.db2.gz CWLFHGGEHLESRH-UHFFFAOYSA-N 1 1 297.402 3.759 20 30 CHEDMO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCC[C@@H]1C ZINC001141164066 1132032378 /nfs/dbraw/zinc/03/23/78/1132032378.db2.gz HZKXHNCWCDWPHV-STQMWFEESA-N 1 1 260.356 3.565 20 30 CHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171490481 1132038103 /nfs/dbraw/zinc/03/81/03/1132038103.db2.gz OUYBSKBHEIHDIB-QWHCGFSZSA-N 1 1 263.331 3.761 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141208748 1132043448 /nfs/dbraw/zinc/04/34/48/1132043448.db2.gz JFKYELXYZPJXNA-HNNXBMFYSA-N 1 1 294.373 3.733 20 30 CHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001171538060 1132045577 /nfs/dbraw/zinc/04/55/77/1132045577.db2.gz BTBLBADPCOWPEV-WMZOPIPTSA-N 1 1 268.404 3.940 20 30 CHEDMO C[N@H+]1CC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229354635 1132056360 /nfs/dbraw/zinc/05/63/60/1132056360.db2.gz WJFWMYNNXBYDRN-TYJAPOHBSA-N 1 1 298.361 3.659 20 30 CHEDMO C[C@H]1CC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141290044 1132072226 /nfs/dbraw/zinc/07/22/26/1132072226.db2.gz ZAXCXOKPUBDWHB-AWEZNQCLSA-N 1 1 278.355 3.945 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001171678870 1132076729 /nfs/dbraw/zinc/07/67/29/1132076729.db2.gz IBPDDDHJNHSAOD-DLBZAZTESA-N 1 1 255.405 3.661 20 30 CHEDMO C=CC[N@H+]([C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)(C)C ZINC001171767431 1132091897 /nfs/dbraw/zinc/09/18/97/1132091897.db2.gz NTQITZTZWAFGKD-AEFFLSMTSA-N 1 1 286.463 3.936 20 30 CHEDMO C=CCN([C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001171767431 1132091904 /nfs/dbraw/zinc/09/19/04/1132091904.db2.gz NTQITZTZWAFGKD-AEFFLSMTSA-N 1 1 286.463 3.936 20 30 CHEDMO C=CCN([C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001171767431 1132091910 /nfs/dbraw/zinc/09/19/10/1132091910.db2.gz NTQITZTZWAFGKD-AEFFLSMTSA-N 1 1 286.463 3.936 20 30 CHEDMO CC[C@@H]1C[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@H](CC)CO1 ZINC001171778584 1132095662 /nfs/dbraw/zinc/09/56/62/1132095662.db2.gz OELXZHUMJZORJK-IAGOWNOFSA-N 1 1 286.419 3.565 20 30 CHEDMO C=C1CC=C(F)C=C1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171735475 1132097500 /nfs/dbraw/zinc/09/75/00/1132097500.db2.gz WLCFLNRTAYNGNT-YJBOKZPZSA-N 1 1 298.405 3.936 20 30 CHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)o1 ZINC001171791495 1132102751 /nfs/dbraw/zinc/10/27/51/1132102751.db2.gz MHTDZLWRCFGDLH-OAHLLOKOSA-N 1 1 298.361 3.888 20 30 CHEDMO CC[C@@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984471 1132120169 /nfs/dbraw/zinc/12/01/69/1132120169.db2.gz WBCAAUVKLRZZIP-MJGOQNOKSA-N 1 1 299.462 3.711 20 30 CHEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172122448 1132135803 /nfs/dbraw/zinc/13/58/03/1132135803.db2.gz BDJYPWGNJAUSGP-PIIMJCKOSA-N 1 1 276.468 3.822 20 30 CHEDMO CCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121934 1132135916 /nfs/dbraw/zinc/13/59/16/1132135916.db2.gz NKYWTDMRWQQZAW-BJWYYQGGSA-N 1 1 266.473 3.904 20 30 CHEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CSc2ccccc2C1 ZINC001172201807 1132139842 /nfs/dbraw/zinc/13/98/42/1132139842.db2.gz KALKQYXMSJCYTI-MRXNPFEDSA-N 1 1 286.444 3.862 20 30 CHEDMO CCCCCCC[C@@H](C)[NH2+]C1CCN(CCCOC)CC1 ZINC001172249517 1132151691 /nfs/dbraw/zinc/15/16/91/1132151691.db2.gz MKGROPBPWIMDES-QGZVFWFLSA-N 1 1 298.515 3.826 20 30 CHEDMO Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172308808 1132153674 /nfs/dbraw/zinc/15/36/74/1132153674.db2.gz ZVNPEHIMPQZDJF-INIZCTEOSA-N 1 1 278.399 3.930 20 30 CHEDMO COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172305808 1132153776 /nfs/dbraw/zinc/15/37/76/1132153776.db2.gz GDXJQRGWUGBTLK-OAHLLOKOSA-N 1 1 294.398 3.630 20 30 CHEDMO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306897 1132154167 /nfs/dbraw/zinc/15/41/67/1132154167.db2.gz BFUNJIPTIHDLCZ-INIZCTEOSA-N 1 1 290.410 3.856 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC001172316828 1132157613 /nfs/dbraw/zinc/15/76/13/1132157613.db2.gz YBGRTUAQCREDNX-ZDUSSCGKSA-N 1 1 282.412 3.609 20 30 CHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC001172319304 1132158361 /nfs/dbraw/zinc/15/83/61/1132158361.db2.gz MICBROUBCGLLGH-AWEZNQCLSA-N 1 1 294.373 3.687 20 30 CHEDMO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172332894 1132172501 /nfs/dbraw/zinc/17/25/01/1132172501.db2.gz VFTAGTMIZFNZJM-LSDHHAIUSA-N 1 1 286.419 3.510 20 30 CHEDMO CC[C@H](C)OCC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172336057 1132175253 /nfs/dbraw/zinc/17/52/53/1132175253.db2.gz GQIGHYMADLXYHT-SJORKVTESA-N 1 1 288.435 3.996 20 30 CHEDMO CC[C@H](C)OCC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172336057 1132175256 /nfs/dbraw/zinc/17/52/56/1132175256.db2.gz GQIGHYMADLXYHT-SJORKVTESA-N 1 1 288.435 3.996 20 30 CHEDMO CCCCCCC[C@H](CC)[NH2+][C@H](C(=O)OC)C1CC1 ZINC001172345703 1132179652 /nfs/dbraw/zinc/17/96/52/1132179652.db2.gz BUHGOXXRNIITRM-GJZGRUSLSA-N 1 1 269.429 3.667 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)C[C@@H]1C ZINC001172355375 1132184399 /nfs/dbraw/zinc/18/43/99/1132184399.db2.gz NYSSILPSSFDOQB-JYJNAYRXSA-N 1 1 255.446 3.971 20 30 CHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCc2nccn2CC1 ZINC001172356179 1132185527 /nfs/dbraw/zinc/18/55/27/1132185527.db2.gz UWOCYMSFOVCRRH-INIZCTEOSA-N 1 1 277.456 3.880 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCCN(C)CC1 ZINC001172357978 1132186844 /nfs/dbraw/zinc/18/68/44/1132186844.db2.gz NYEGTBAVGZRKTP-INIZCTEOSA-N 1 1 254.462 3.763 20 30 CHEDMO C=CC[C@H](CCCC)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230515300 1132188944 /nfs/dbraw/zinc/18/89/44/1132188944.db2.gz AGJVOQORWLDQSG-LLVKDONJSA-N 1 1 259.353 3.659 20 30 CHEDMO C=C[C@@H](CCCCC)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230508509 1132189434 /nfs/dbraw/zinc/18/94/34/1132189434.db2.gz WYRLZPNUVRZCOX-NSHDSACASA-N 1 1 259.353 3.659 20 30 CHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC2(CN(C)C2)C1 ZINC001172361773 1132189782 /nfs/dbraw/zinc/18/97/82/1132189782.db2.gz NYCCARQZJIVIGX-INIZCTEOSA-N 1 1 266.473 3.763 20 30 CHEDMO C[C@@H]1CC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@@H]1C ZINC001172364460 1132190670 /nfs/dbraw/zinc/19/06/70/1132190670.db2.gz CCTDDLAWGRLRIG-GLJUWKHASA-N 1 1 268.404 3.741 20 30 CHEDMO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586270 1132191360 /nfs/dbraw/zinc/19/13/60/1132191360.db2.gz ZGTQQTFJNADRIE-LLVKDONJSA-N 1 1 273.767 3.557 20 30 CHEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586270 1132191363 /nfs/dbraw/zinc/19/13/63/1132191363.db2.gz ZGTQQTFJNADRIE-LLVKDONJSA-N 1 1 273.767 3.557 20 30 CHEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141585786 1132191452 /nfs/dbraw/zinc/19/14/52/1132191452.db2.gz DEKPIBGTQXFOFK-GFCCVEGCSA-N 1 1 272.779 3.667 20 30 CHEDMO C[N@H+]1CCC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)CC1 ZINC001230632147 1132200390 /nfs/dbraw/zinc/20/03/90/1132200390.db2.gz CVGRGHLJBURJNJ-OAHLLOKOSA-N 1 1 286.419 3.719 20 30 CHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001141611435 1132205924 /nfs/dbraw/zinc/20/59/24/1132205924.db2.gz XNGKGBYHSVYQLO-LBPRGKRZSA-N 1 1 297.320 3.559 20 30 CHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000839531366 1132222063 /nfs/dbraw/zinc/22/20/63/1132222063.db2.gz CEJSRXZUNAFFDF-APWZRJJASA-N 1 1 274.367 3.819 20 30 CHEDMO N#CC1(CC[N@H+]2CC[C@H](c3ccccn3)C2)CCCCC1 ZINC000839592160 1132224611 /nfs/dbraw/zinc/22/46/11/1132224611.db2.gz GHPWRYBBEUDBRO-INIZCTEOSA-N 1 1 283.419 3.735 20 30 CHEDMO C=CCCCCCC[C@@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230899812 1132225349 /nfs/dbraw/zinc/22/53/49/1132225349.db2.gz AJZJSVOCHUWXMZ-GFCCVEGCSA-N 1 1 274.368 3.647 20 30 CHEDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC(C)(C)C#N)c2c1 ZINC000840075230 1132246106 /nfs/dbraw/zinc/24/61/06/1132246106.db2.gz XFTDDIAAFMWMQS-UHFFFAOYSA-N 1 1 298.386 3.536 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1nc2ccccc2s1 ZINC001172492458 1132246933 /nfs/dbraw/zinc/24/69/33/1132246933.db2.gz LLZQZDFGRQHHNP-GFCCVEGCSA-N 1 1 273.405 3.810 20 30 CHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@H](C)CCCC#N ZINC001172498386 1132247952 /nfs/dbraw/zinc/24/79/52/1132247952.db2.gz MJHSKAJJSFXYLK-CABCVRRESA-N 1 1 274.408 3.640 20 30 CHEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)CCCC#N)cn1 ZINC001172498365 1132248011 /nfs/dbraw/zinc/24/80/11/1132248011.db2.gz MEHIMZKYZSTNHB-GDBMZVCRSA-N 1 1 257.381 3.609 20 30 CHEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@@H](C)CCCC#N ZINC001172499274 1132249199 /nfs/dbraw/zinc/24/91/99/1132249199.db2.gz CMHSBXXJZWXYCB-HNNXBMFYSA-N 1 1 272.392 3.662 20 30 CHEDMO COc1ccc([C@@H](C)[N@@H+](C)[C@@H](C)CCCC#N)cc1 ZINC001172501353 1132249836 /nfs/dbraw/zinc/24/98/36/1132249836.db2.gz QARRDRLUWPCVPH-UONOGXRCSA-N 1 1 260.381 3.770 20 30 CHEDMO C[C@H](CCCC#N)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172500375 1132250043 /nfs/dbraw/zinc/25/00/43/1132250043.db2.gz NAKJASUUJJRXGJ-IEBWSBKVSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@H](CCCC#N)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172500375 1132250045 /nfs/dbraw/zinc/25/00/45/1132250045.db2.gz NAKJASUUJJRXGJ-IEBWSBKVSA-N 1 1 299.462 3.523 20 30 CHEDMO C[C@@H](CCCC#N)[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001172499556 1132250318 /nfs/dbraw/zinc/25/03/18/1132250318.db2.gz DUGWOELMOUCIRR-BBRMVZONSA-N 1 1 292.423 3.998 20 30 CHEDMO CC[N@@H+]([C@@H](C)CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001172500685 1132250492 /nfs/dbraw/zinc/25/04/92/1132250492.db2.gz OGWSWNORLVRSIA-HKUYNNGSSA-N 1 1 299.462 3.665 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001172502471 1132251256 /nfs/dbraw/zinc/25/12/56/1132251256.db2.gz PUXVRWOQHHQFHI-BBWFWOEESA-N 1 1 295.467 3.663 20 30 CHEDMO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001172503277 1132252822 /nfs/dbraw/zinc/25/28/22/1132252822.db2.gz XIHWVHAPNSJSAA-IKGGRYGDSA-N 1 1 266.473 3.904 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@@H+]1CCn2c(C)nnc2C1 ZINC001172505944 1132253839 /nfs/dbraw/zinc/25/38/39/1132253839.db2.gz XOTUVSOJSIEMGZ-INIZCTEOSA-N 1 1 292.471 3.931 20 30 CHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCn2c(C)nnc2C1 ZINC001172505944 1132253844 /nfs/dbraw/zinc/25/38/44/1132253844.db2.gz XOTUVSOJSIEMGZ-INIZCTEOSA-N 1 1 292.471 3.931 20 30 CHEDMO Cc1ccc(O[C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)cc1 ZINC001172504731 1132254986 /nfs/dbraw/zinc/25/49/86/1132254986.db2.gz IKCRHUSIKISYOI-AEFFLSMTSA-N 1 1 286.419 3.921 20 30 CHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172507832 1132255921 /nfs/dbraw/zinc/25/59/21/1132255921.db2.gz ZDHLTFZCEGKWAF-LLVKDONJSA-N 1 1 297.324 3.541 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@@H+]1CCn2cnnc2C1 ZINC001172509531 1132257022 /nfs/dbraw/zinc/25/70/22/1132257022.db2.gz YSQFVTYWMFXBJO-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCn2cnnc2C1 ZINC001172509531 1132257028 /nfs/dbraw/zinc/25/70/28/1132257028.db2.gz YSQFVTYWMFXBJO-HNNXBMFYSA-N 1 1 278.444 3.623 20 30 CHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@](F)(CO)C1 ZINC001172509112 1132257753 /nfs/dbraw/zinc/25/77/53/1132257753.db2.gz SUEMKDLSEUXBED-HOTGVXAUSA-N 1 1 273.436 3.922 20 30 CHEDMO CC[N@@H+](Cc1cc(Br)ccc1C#N)C(C)C ZINC001141894574 1132264684 /nfs/dbraw/zinc/26/46/84/1132264684.db2.gz NQHNWENQQZBDJS-UHFFFAOYSA-N 1 1 281.197 3.551 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565158 1132269655 /nfs/dbraw/zinc/26/96/55/1132269655.db2.gz SBQYCRWFTQPGRW-KBAYOESNSA-N 1 1 253.389 3.668 20 30 CHEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565265 1132269860 /nfs/dbraw/zinc/26/98/60/1132269860.db2.gz UUHWSLMPWLBVBQ-KBAYOESNSA-N 1 1 268.404 3.948 20 30 CHEDMO N#C[C@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565264 1132270294 /nfs/dbraw/zinc/27/02/94/1132270294.db2.gz UUHWSLMPWLBVBQ-JQHSSLGASA-N 1 1 268.404 3.948 20 30 CHEDMO CCC[N@@H+](CCC#N)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565267 1132270774 /nfs/dbraw/zinc/27/07/74/1132270774.db2.gz UXFIPZSMSPBEIS-IAGOWNOFSA-N 1 1 256.393 3.948 20 30 CHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565159 1132271207 /nfs/dbraw/zinc/27/12/07/1132271207.db2.gz SBQYCRWFTQPGRW-NXHRZFHOSA-N 1 1 253.389 3.668 20 30 CHEDMO C#CC[N@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172572904 1132273884 /nfs/dbraw/zinc/27/38/84/1132273884.db2.gz FIUXORIWXZHUOO-JTQLQIEISA-N 1 1 271.738 3.504 20 30 CHEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172545432 1132279151 /nfs/dbraw/zinc/27/91/51/1132279151.db2.gz ABKHXRSYYNYWGX-FGTMMUONSA-N 1 1 268.404 3.948 20 30 CHEDMO CCCCCCCNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001231386495 1132288727 /nfs/dbraw/zinc/28/87/27/1132288727.db2.gz IDDSWEYWTJEBRH-INIZCTEOSA-N 1 1 297.487 3.521 20 30 CHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172658154 1132290479 /nfs/dbraw/zinc/29/04/79/1132290479.db2.gz LKZGCLUXNLINKD-UHFFFAOYSA-N 1 1 286.419 3.726 20 30 CHEDMO C=CC[N@@H+](Cc1c[nH]c2cnccc12)Cc1ccccc1 ZINC001231522299 1132313735 /nfs/dbraw/zinc/31/37/35/1132313735.db2.gz WLFRBAWGDMXOTL-UHFFFAOYSA-N 1 1 277.371 3.751 20 30 CHEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000840969767 1132315103 /nfs/dbraw/zinc/31/51/03/1132315103.db2.gz LAIJLQYELISDPV-HNNXBMFYSA-N 1 1 285.435 3.657 20 30 CHEDMO N#C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231590366 1132317632 /nfs/dbraw/zinc/31/76/32/1132317632.db2.gz VYZWISXLMXUBCG-CQSZACIVSA-N 1 1 280.371 3.671 20 30 CHEDMO 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C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCCC#N ZINC000366878896 225158912 /nfs/dbraw/zinc/15/89/12/225158912.db2.gz FRVFWLTZXKIRMB-WBVHZDCISA-N 1 1 256.393 3.948 20 30 CHEDMO N#CC1(C[NH+]2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000334895289 225353408 /nfs/dbraw/zinc/35/34/08/225353408.db2.gz DUWGWXMIOXCLFO-UHFFFAOYSA-N 1 1 297.427 3.779 20 30 CHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)o1 ZINC000336430540 227006242 /nfs/dbraw/zinc/00/62/42/227006242.db2.gz WGPZELUGWXUWJA-NSHDSACASA-N 1 1 278.764 3.643 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000336458605 227026860 /nfs/dbraw/zinc/02/68/60/227026860.db2.gz CJSFSCDHPQYIPX-CABCVRRESA-N 1 1 284.403 3.510 20 30 CHEDMO Cc1noc([C@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)n1 ZINC000353553177 228119958 /nfs/dbraw/zinc/11/99/58/228119958.db2.gz BJVHJIUQXJRNPO-CQSZACIVSA-N 1 1 290.411 3.625 20 30 CHEDMO Cc1noc([C@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)n1 ZINC000353553177 228119961 /nfs/dbraw/zinc/11/99/61/228119961.db2.gz BJVHJIUQXJRNPO-CQSZACIVSA-N 1 1 290.411 3.625 20 30 CHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCCC#N ZINC000352250296 228206730 /nfs/dbraw/zinc/20/67/30/228206730.db2.gz GAOQRAMZGDCCNR-ZBFHGGJFSA-N 1 1 272.392 3.772 20 30 CHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCSCC#N)C1 ZINC000074991200 260289248 /nfs/dbraw/zinc/28/92/48/260289248.db2.gz WUIOOBWLIHJYIA-JKSUJKDBSA-N 1 1 288.460 3.820 20 30 CHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCCC#N)C1 ZINC000075843310 260291888 /nfs/dbraw/zinc/29/18/88/260291888.db2.gz FVFPRDPJBJXYOU-CZUORRHYSA-N 1 1 260.356 3.902 20 30 CHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCCC#N ZINC000075886029 260292180 /nfs/dbraw/zinc/29/21/80/260292180.db2.gz BDPPKCKKTCDPCU-QGZVFWFLSA-N 1 1 258.409 3.942 20 30 CHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1OC ZINC000517948200 260325301 /nfs/dbraw/zinc/32/53/01/260325301.db2.gz RCNXGNIYOUNPQT-OAHLLOKOSA-N 1 1 293.382 3.584 20 30 CHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1OC ZINC000517948200 260325303 /nfs/dbraw/zinc/32/53/03/260325303.db2.gz RCNXGNIYOUNPQT-OAHLLOKOSA-N 1 1 293.382 3.584 20 30 CHEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000426998785 260548489 /nfs/dbraw/zinc/54/84/89/260548489.db2.gz HTDRGDNZTYKZGD-UHFFFAOYSA-N 1 1 281.321 3.931 20 30 CHEDMO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000426448825 260781492 /nfs/dbraw/zinc/78/14/92/260781492.db2.gz GVVPDDRNDLGLLU-UHFFFAOYSA-N 1 1 261.796 3.954 20 30 CHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155069981 261097563 /nfs/dbraw/zinc/09/75/63/261097563.db2.gz LTAAXSXBQWJGBO-KRWDZBQOSA-N 1 1 285.435 3.893 20 30 CHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000157913059 261155321 /nfs/dbraw/zinc/15/53/21/261155321.db2.gz OVBSNFXGJHRIDL-KRWDZBQOSA-N 1 1 292.382 3.556 20 30 CHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162931121 261299920 /nfs/dbraw/zinc/29/99/20/261299920.db2.gz FFQIAYMUXZEOIC-ZDUSSCGKSA-N 1 1 282.840 3.785 20 30 CHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000184097842 262009256 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ZINC000411363793 262690632 /nfs/dbraw/zinc/69/06/32/262690632.db2.gz DZKRTLCPEVHRIT-YJBOKZPZSA-N 1 1 286.419 3.900 20 30 CHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)C1 ZINC000411992176 262712779 /nfs/dbraw/zinc/71/27/79/262712779.db2.gz VDWGUQKVOZEZTB-KBAYOESNSA-N 1 1 280.415 3.948 20 30 CHEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000272045234 263001815 /nfs/dbraw/zinc/00/18/15/263001815.db2.gz RWYNYNSUFLBMEH-DOTOQJQBSA-N 1 1 286.419 3.697 20 30 CHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000272045234 263001816 /nfs/dbraw/zinc/00/18/16/263001816.db2.gz RWYNYNSUFLBMEH-DOTOQJQBSA-N 1 1 286.419 3.697 20 30 CHEDMO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ncc(-c2ccccc2)o1 ZINC000274416491 263023915 /nfs/dbraw/zinc/02/39/15/263023915.db2.gz HYLHSVFBAVNOIT-YDHLFZDLSA-N 1 1 281.359 3.684 20 30 CHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCCC#N)C2)c1 ZINC000452021411 263029422 /nfs/dbraw/zinc/02/94/22/263029422.db2.gz TUUZERWRZLQQEX-WKILWMFISA-N 1 1 272.392 3.567 20 30 CHEDMO C[C@@H](C[N@H+](C)C[C@H](C)C#N)c1cccc(Cl)c1 ZINC000275755268 263034120 /nfs/dbraw/zinc/03/41/20/263034120.db2.gz TXGKRAJCGXCWCZ-NEPJUHHUSA-N 1 1 250.773 3.535 20 30 CHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1csc(Br)c1 ZINC000276311830 263036037 /nfs/dbraw/zinc/03/60/37/263036037.db2.gz MNLFMBGENUNQFQ-SECBINFHSA-N 1 1 287.226 3.635 20 30 CHEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277576626 263041983 /nfs/dbraw/zinc/04/19/83/263041983.db2.gz BUQKXCZAORVGHZ-AWEZNQCLSA-N 1 1 259.397 3.794 20 30 CHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000277855669 263043963 /nfs/dbraw/zinc/04/39/63/263043963.db2.gz XUYWCKGWRBWKJD-OAHLLOKOSA-N 1 1 292.448 3.841 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000277855669 263043964 /nfs/dbraw/zinc/04/39/64/263043964.db2.gz XUYWCKGWRBWKJD-OAHLLOKOSA-N 1 1 292.448 3.841 20 30 CHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000278727625 263050156 /nfs/dbraw/zinc/05/01/56/263050156.db2.gz 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COCC1(C#N)CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000341977644 263368761 /nfs/dbraw/zinc/36/87/61/263368761.db2.gz MLIZYQHGBXECMW-CYBMUJFWSA-N 1 1 292.810 3.653 20 30 CHEDMO Cc1ccccc1C[N@@H+](CCCSCC#N)C1CC1 ZINC000342075434 263384908 /nfs/dbraw/zinc/38/49/08/263384908.db2.gz MLEGWQVEDBEGFZ-UHFFFAOYSA-N 1 1 274.433 3.606 20 30 CHEDMO COCc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365565 264211405 /nfs/dbraw/zinc/21/14/05/264211405.db2.gz LTFQQYYRSCYQMF-OAHLLOKOSA-N 1 1 294.398 3.898 20 30 CHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000076737198 264343679 /nfs/dbraw/zinc/34/36/79/264343679.db2.gz UCJSSLYZFRFFPB-OAHLLOKOSA-N 1 1 274.408 3.528 20 30 CHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000425478783 264348330 /nfs/dbraw/zinc/34/83/30/264348330.db2.gz NPPVKPVAJSWJAX-INIZCTEOSA-N 1 1 279.387 3.684 20 30 CHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Oc2ccccc2)nn1 ZINC000499103136 265017066 /nfs/dbraw/zinc/01/70/66/265017066.db2.gz WHGLUUHEUAOSNA-UHFFFAOYSA-N 1 1 283.375 3.667 20 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267.376 3.575 20 30 CHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2)ccc1C#N ZINC000362954279 267066285 /nfs/dbraw/zinc/06/62/85/267066285.db2.gz IVPBXLBCFYIFCQ-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418114302 267076765 /nfs/dbraw/zinc/07/67/65/267076765.db2.gz NQVYFRIDXRWAHE-STQMWFEESA-N 1 1 277.437 3.661 20 30 CHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000118390150 267251710 /nfs/dbraw/zinc/25/17/10/267251710.db2.gz LCRZLHXNVSNYOE-CQSZACIVSA-N 1 1 262.356 3.678 20 30 CHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000370690076 267339922 /nfs/dbraw/zinc/33/99/22/267339922.db2.gz LTWALFFIXSTWOP-NXHRZFHOSA-N 1 1 298.430 3.758 20 30 CHEDMO C=CC[N@@H+](CCCCn1ccnc1C)CCc1ccccc1 ZINC000119597592 267345785 /nfs/dbraw/zinc/34/57/85/267345785.db2.gz OLIJCEQHNSFOGS-UHFFFAOYSA-N 1 1 297.446 3.702 20 30 CHEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC12CCC2 ZINC000375621019 267879248 /nfs/dbraw/zinc/87/92/48/267879248.db2.gz 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Cc1cc(C)cc([C@H]2CC[N@@H+](CCCCC#N)C2)c1 ZINC000183462489 329247956 /nfs/dbraw/zinc/24/79/56/329247956.db2.gz LCIBMUZAZRDHIM-INIZCTEOSA-N 1 1 256.393 3.787 20 30 CHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)n1 ZINC000582898034 329282568 /nfs/dbraw/zinc/28/25/68/329282568.db2.gz JHLXKVCDIQRMPC-LJQANCHMSA-N 1 1 291.398 3.907 20 30 CHEDMO C=C(C)[C@@H]([NH2+]Cc1ccccn1)c1ccc(F)c(F)c1 ZINC000187372305 329356858 /nfs/dbraw/zinc/35/68/58/329356858.db2.gz HYZLGRIFAHPCKE-MRXNPFEDSA-N 1 1 274.314 3.767 20 30 CHEDMO C[C@@H]1CCCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000187517535 329358758 /nfs/dbraw/zinc/35/87/58/329358758.db2.gz OUVHMKHBQNNNOS-MRXNPFEDSA-N 1 1 286.419 3.991 20 30 CHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000572408472 330064586 /nfs/dbraw/zinc/06/45/86/330064586.db2.gz YYGPQOCKODEYKZ-SFHVURJKSA-N 1 1 297.402 3.702 20 30 CHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000572408472 330064587 /nfs/dbraw/zinc/06/45/87/330064587.db2.gz YYGPQOCKODEYKZ-SFHVURJKSA-N 1 1 297.402 3.702 20 30 CHEDMO C=C(C[NH2+][C@H](C)c1csc(C)n1)c1ccccc1 ZINC000269394918 330069979 /nfs/dbraw/zinc/06/99/79/330069979.db2.gz DTISQZFAEILSEM-GFCCVEGCSA-N 1 1 258.390 3.816 20 30 CHEDMO COC1CCC([N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000269567613 330070006 /nfs/dbraw/zinc/07/00/06/330070006.db2.gz WVCUIAJMXSTIBB-UHFFFAOYSA-N 1 1 291.822 3.581 20 30 CHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000270350986 330075089 /nfs/dbraw/zinc/07/50/89/330075089.db2.gz PUYWPUKTAIORRL-KGLIPLIRSA-N 1 1 296.480 3.895 20 30 CHEDMO C#CC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000271715018 330082552 /nfs/dbraw/zinc/08/25/52/330082552.db2.gz OZVJOJJSEVGECF-IBGZPJMESA-N 1 1 293.414 3.852 20 30 CHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Cl)nc1 ZINC000272299056 330084902 /nfs/dbraw/zinc/08/49/02/330084902.db2.gz PLZNFUMEYCJMPA-UHFFFAOYSA-N 1 1 276.767 3.559 20 30 CHEDMO C=C(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034654 330166425 /nfs/dbraw/zinc/16/64/25/330166425.db2.gz 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C[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3C#N)c2C[C@H]1C ZINC000451002715 331011261 /nfs/dbraw/zinc/01/12/61/331011261.db2.gz RTJZQTLTFHUVPX-VXGBXAGGSA-N 1 1 299.805 3.827 20 30 CHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000451964661 331048530 /nfs/dbraw/zinc/04/85/30/331048530.db2.gz BSNVCEODNWRMNV-INIZCTEOSA-N 1 1 292.423 3.918 20 30 CHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451969830 331048912 /nfs/dbraw/zinc/04/89/12/331048912.db2.gz KZLSBXIULYYIHG-MRXNPFEDSA-N 1 1 281.346 3.694 20 30 CHEDMO CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccc(C#N)cc1 ZINC000453353221 331120998 /nfs/dbraw/zinc/12/09/98/331120998.db2.gz NNOJQVUSCQBYNM-CZUORRHYSA-N 1 1 282.391 3.577 20 30 CHEDMO C=C(CC)C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453367284 331123420 /nfs/dbraw/zinc/12/34/20/331123420.db2.gz PXWHWNNBPWTPSH-HNNXBMFYSA-N 1 1 289.810 3.719 20 30 CHEDMO C=CCC1(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000453384901 331126378 /nfs/dbraw/zinc/12/63/78/331126378.db2.gz UGMVICZDZZHMNP-INIZCTEOSA-N 1 1 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ZINC000490039581 332078257 /nfs/dbraw/zinc/07/82/57/332078257.db2.gz CMPKVPGHWDTWDD-HNNXBMFYSA-N 1 1 267.800 3.926 20 30 CHEDMO C=C(CC)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490060132 332079397 /nfs/dbraw/zinc/07/93/97/332079397.db2.gz UYIIDBNSQZNLAI-MRVPVSSYSA-N 1 1 264.316 3.779 20 30 CHEDMO C=CC[NH+](CC=C)Cc1ccccc1OCC(F)(F)F ZINC000505906631 332757373 /nfs/dbraw/zinc/75/73/73/332757373.db2.gz DFKLRJCRAMJVGX-UHFFFAOYSA-N 1 1 285.309 3.802 20 30 CHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000575811831 335117842 /nfs/dbraw/zinc/11/78/42/335117842.db2.gz DRFLXEBDHTUGGY-KRWDZBQOSA-N 1 1 296.801 3.576 20 30 CHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000184012685 333124449 /nfs/dbraw/zinc/12/44/49/333124449.db2.gz HCMPIECLVKRQMJ-QGZVFWFLSA-N 1 1 299.462 3.917 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1F ZINC000219519152 333151650 /nfs/dbraw/zinc/15/16/50/333151650.db2.gz LBRWNOPUPNWUEV-MRXNPFEDSA-N 1 1 280.346 3.687 20 30 CHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1F ZINC000219518242 333151661 /nfs/dbraw/zinc/15/16/61/333151661.db2.gz STVYZHRYAHWZJE-MRXNPFEDSA-N 1 1 272.367 3.852 20 30 CHEDMO C[C@H]1CSCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000190393368 333206399 /nfs/dbraw/zinc/20/63/99/333206399.db2.gz GEZDLQWZIFIMRU-CQSZACIVSA-N 1 1 288.460 3.673 20 30 CHEDMO Cc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000223524247 333208730 /nfs/dbraw/zinc/20/87/30/333208730.db2.gz NBGXWNFZACGOCN-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO Cc1cccc(C[N@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000223524247 333208731 /nfs/dbraw/zinc/20/87/31/333208731.db2.gz NBGXWNFZACGOCN-UHFFFAOYSA-N 1 1 268.335 3.638 20 30 CHEDMO CCCC1CCC([N@@H+](C)CCCSCC#N)CC1 ZINC000191425656 333219436 /nfs/dbraw/zinc/21/94/36/333219436.db2.gz LAJRRPKFYCZDLF-UHFFFAOYSA-N 1 1 268.470 3.924 20 30 CHEDMO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000191475752 333220427 /nfs/dbraw/zinc/22/04/27/333220427.db2.gz SGXWVSILZGZDGP-QGZVFWFLSA-N 1 1 293.414 3.503 20 30 CHEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C(F)(F)F ZINC000191661797 333223199 /nfs/dbraw/zinc/22/31/99/333223199.db2.gz ILTYSAXDDMRESX-AWEZNQCLSA-N 1 1 296.336 3.969 20 30 CHEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C(F)(F)F ZINC000191661797 333223200 /nfs/dbraw/zinc/22/32/00/333223200.db2.gz ILTYSAXDDMRESX-AWEZNQCLSA-N 1 1 296.336 3.969 20 30 CHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191773551 333225156 /nfs/dbraw/zinc/22/51/56/333225156.db2.gz GMUQALOUKCFSKS-LLVKDONJSA-N 1 1 293.208 3.553 20 30 CHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1CCCC1 ZINC000195542584 333255477 /nfs/dbraw/zinc/25/54/77/333255477.db2.gz RZEVVGJJYRUBCS-UHFFFAOYSA-N 1 1 259.393 3.873 20 30 CHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000194819482 333277835 /nfs/dbraw/zinc/27/78/35/333277835.db2.gz DHWSVHCSBCWJOB-UHFFFAOYSA-N 1 1 292.382 3.755 20 30 CHEDMO Cc1ncc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000194972633 333280569 /nfs/dbraw/zinc/28/05/69/333280569.db2.gz AYXHMJVSTZCEMH-LLVKDONJSA-N 1 1 271.389 3.516 20 30 CHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000522467196 333287479 /nfs/dbraw/zinc/28/74/79/333287479.db2.gz ATVPMKVGWZDQRN-KXBFYZLASA-N 1 1 276.383 3.936 20 30 CHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000522467194 333287540 /nfs/dbraw/zinc/28/75/40/333287540.db2.gz ATVPMKVGWZDQRN-DNVCBOLYSA-N 1 1 276.383 3.936 20 30 CHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228013193 333292526 /nfs/dbraw/zinc/29/25/26/333292526.db2.gz KYFYBRBHPXSASZ-FUHWJXTLSA-N 1 1 284.403 3.592 20 30 CHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ccccc2C1 ZINC000232531876 333338163 /nfs/dbraw/zinc/33/81/63/333338163.db2.gz LFIGVJQNYCJZMX-UHFFFAOYSA-N 1 1 256.393 3.765 20 30 CHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000234272425 333359208 /nfs/dbraw/zinc/35/92/08/333359208.db2.gz UVDYFDYVEVJCGL-UHFFFAOYSA-N 1 1 262.372 3.978 20 30 CHEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N1CCCCCC1 ZINC000236695706 333374961 /nfs/dbraw/zinc/37/49/61/333374961.db2.gz 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296.418 3.583 20 30 CHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccoc1 ZINC000178089949 335413151 /nfs/dbraw/zinc/41/31/51/335413151.db2.gz GNFFZAPASKZDAD-CYBMUJFWSA-N 1 1 257.333 3.695 20 30 CHEDMO C[C@@H]1Cc2c([nH+]cn2CCCCC(C)(C)C#N)C[C@@H]1C ZINC000380688380 336017623 /nfs/dbraw/zinc/01/76/23/336017623.db2.gz DUIUXNIPCOBBND-UONOGXRCSA-N 1 1 273.424 3.974 20 30 CHEDMO CC(C)[N@H+](CCC#N)CCc1ccc(F)cc1Cl ZINC000581282837 336036090 /nfs/dbraw/zinc/03/60/90/336036090.db2.gz PNLQORSQBRTTSW-UHFFFAOYSA-N 1 1 268.763 3.646 20 30 CHEDMO CC(C)[N@@H+](CCC#N)CCc1ccc(F)cc1Cl ZINC000581282837 336036091 /nfs/dbraw/zinc/03/60/91/336036091.db2.gz PNLQORSQBRTTSW-UHFFFAOYSA-N 1 1 268.763 3.646 20 30 CHEDMO C=CC[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000194971023 336041300 /nfs/dbraw/zinc/04/13/00/336041300.db2.gz MEXXADSNZOJERX-JTQLQIEISA-N 1 1 254.171 3.628 20 30 CHEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C[C@@H](C#N)CCC#N ZINC000581483471 336087219 /nfs/dbraw/zinc/08/72/19/336087219.db2.gz OWLWAGLQVVAQCI-UKRRQHHQSA-N 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