smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H](CC)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000062133350 349438457 /nfs/dbraw/zinc/43/84/57/349438457.db2.gz UHIYYHPNYWVBRN-RYUDHWBXSA-N 0 1 227.348 2.609 20 0 BFADMN CC[N@@H+](CCCC(C)(C)C)CCC(=O)[O-] ZINC000300952720 349473699 /nfs/dbraw/zinc/47/36/99/349473699.db2.gz XKWZSSVPVPTALJ-UHFFFAOYSA-N 0 1 215.337 2.609 20 0 BFADMN Cc1nnc(CN[C@@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000120747473 398147460 /nfs/dbraw/zinc/14/74/60/398147460.db2.gz HMRZFKUWLCQSSG-MWLCHTKSSA-N 0 1 237.347 2.682 20 0 BFADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC(C)(C)C ZINC000300968410 349480688 /nfs/dbraw/zinc/48/06/88/349480688.db2.gz ZLAUKHCYSGHPHU-MNOVXSKESA-N 0 1 227.348 2.608 20 0 BFADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCCCC2)C1 ZINC000062876849 349495513 /nfs/dbraw/zinc/49/55/13/349495513.db2.gz DQRLFFSAFPYNKG-CQSZACIVSA-N 0 1 239.359 2.753 20 0 BFADMN Cc1cc(CN2CC[C@H](CC(F)(F)F)C2)on1 ZINC000278705844 178002833 /nfs/dbraw/zinc/00/28/33/178002833.db2.gz JVGQJYHKOLOYLG-SECBINFHSA-N 0 1 248.248 2.757 20 0 BFADMN C[C@@H](CCO)N(C)Cc1cccc(Cl)c1F ZINC000649870890 398152119 /nfs/dbraw/zinc/15/21/19/398152119.db2.gz MIWCRJRUSWVCCT-VIFPVBQESA-N 0 1 245.725 2.682 20 0 BFADMN CCC[C@H](O)CN1CC[C@H]1c1cccc(F)c1 ZINC000649338726 398155620 /nfs/dbraw/zinc/15/56/20/398155620.db2.gz KKISDVIZQZGPMA-KBPBESRZSA-N 0 1 237.318 2.734 20 0 BFADMN Cc1cc(CNCCCc2ccccc2)no1 ZINC000044295807 178021275 /nfs/dbraw/zinc/02/12/75/178021275.db2.gz IFPVECFMSLUFFG-UHFFFAOYSA-N 0 1 230.311 2.705 20 0 BFADMN Cc1cc(C)c(CN[C@H](C)c2ccncc2)cn1 ZINC000397013759 398168155 /nfs/dbraw/zinc/16/81/55/398168155.db2.gz JJKSHSUINSNNKE-CYBMUJFWSA-N 0 1 241.338 2.944 20 0 BFADMN Cc1cc(CNCc2c(C)nn(C)c2C)cs1 ZINC000285892275 178025103 /nfs/dbraw/zinc/02/51/03/178025103.db2.gz MIAIPNQFNIKZPC-UHFFFAOYSA-N 0 1 249.383 2.697 20 0 BFADMN Cc1ccc(C[N@H+](C)[C@H]2C=CCCC2)nc1 ZINC000649900816 398170895 /nfs/dbraw/zinc/17/08/95/398170895.db2.gz ZEPYATQXZBCHGY-AWEZNQCLSA-N 0 1 216.328 2.931 20 0 BFADMN Cc1cc(CN[C@@H](C)c2cccs2)n(C)n1 ZINC000084243993 178030430 /nfs/dbraw/zinc/03/04/30/178030430.db2.gz MCEZYZRKAWINBJ-JTQLQIEISA-N 0 1 235.356 2.641 20 0 BFADMN CC[C@@H]1C[C@H]1CNCc1nn(C)c(C)c1Cl ZINC000421376162 192322982 /nfs/dbraw/zinc/32/29/82/192322982.db2.gz DQNFFIRCABLZPI-ZJUUUORDSA-N 0 1 241.766 2.518 20 0 BFADMN Cc1cc(CN[C@H](C)c2cn(C)nc2C)cs1 ZINC000294126606 178038235 /nfs/dbraw/zinc/03/82/35/178038235.db2.gz FDDQNCWBFBNLDE-SNVBAGLBSA-N 0 1 249.383 2.949 20 0 BFADMN Cc1cc(CN[C@H](C)c2cccc(F)c2)n(C)n1 ZINC000089183333 178038516 /nfs/dbraw/zinc/03/85/16/178038516.db2.gz ORJCRYFTKMYZON-LLVKDONJSA-N 0 1 247.317 2.718 20 0 BFADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)cs1 ZINC000292709064 178038947 /nfs/dbraw/zinc/03/89/47/178038947.db2.gz OGKGHIXEKSTEAO-SECBINFHSA-N 0 1 221.329 2.630 20 0 BFADMN Cc1cc(CNc2ccc3scnc3c2)n[nH]1 ZINC000032533095 178043164 /nfs/dbraw/zinc/04/31/64/178043164.db2.gz GJCMVGNROSYFHY-UHFFFAOYSA-N 0 1 244.323 2.940 20 0 BFADMN CCC[C@H](NCc1nc(CC)no1)C(C)(C)C ZINC000649930347 398190227 /nfs/dbraw/zinc/19/02/27/398190227.db2.gz FRNAQIWRKKDKLZ-JTQLQIEISA-N 0 1 239.363 2.936 20 0 BFADMN CC(C)[C@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000181564007 192027256 /nfs/dbraw/zinc/02/72/56/192027256.db2.gz ADVDFAOMOWBOOR-GFCCVEGCSA-N 0 1 227.348 2.752 20 0 BFADMN CC1=CC[N@@H+]([C@H](C)c2ccccn2)CC1 ZINC000334260370 398194803 /nfs/dbraw/zinc/19/48/03/398194803.db2.gz WGCSNZNOOKGHJR-GFCCVEGCSA-N 0 1 202.301 2.795 20 0 BFADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000164544957 398201745 /nfs/dbraw/zinc/20/17/45/398201745.db2.gz PNXBRWIFSLKVAN-WDEREUQCSA-N 0 1 233.311 2.615 20 0 BFADMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc[nH]n1 ZINC000445260677 398202429 /nfs/dbraw/zinc/20/24/29/398202429.db2.gz MLJFZHVEJUENLW-NSHDSACASA-N 0 1 247.317 2.612 20 0 BFADMN CCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000074819831 398209506 /nfs/dbraw/zinc/20/95/06/398209506.db2.gz KLIKLUULJSVKOD-UHFFFAOYSA-N 0 1 217.272 2.692 20 0 BFADMN Cc1nccc(N2CCC[C@@H]2CF)c1Cl ZINC000338808739 187327155 /nfs/dbraw/zinc/32/71/55/187327155.db2.gz RVFKDPIVLGPISF-SECBINFHSA-N 0 1 228.698 2.982 20 0 BFADMN CCC(CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000065006325 168341822 /nfs/dbraw/zinc/34/18/22/168341822.db2.gz LFZLUWVWVYVGAU-UHFFFAOYSA-N 0 1 231.299 2.938 20 0 BFADMN CS[C@@H]1CC[C@H]1N[C@H](C)c1nc(C)cs1 ZINC000425338662 398214668 /nfs/dbraw/zinc/21/46/68/398214668.db2.gz BGMDNOMPSQTYNY-OPRDCNLKSA-N 0 1 242.413 2.996 20 0 BFADMN C1CN[C@H](c2noc([C@@H]3CC4CCC3CC4)n2)C1 ZINC000381014536 398218502 /nfs/dbraw/zinc/21/85/02/398218502.db2.gz MYXZHMNZWSXHQY-HCWSGVFWSA-N 0 1 247.342 2.788 20 0 BFADMN C1CN[C@H](c2noc([C@H]3CC4CCC3CC4)n2)C1 ZINC000381014541 398218779 /nfs/dbraw/zinc/21/87/79/398218779.db2.gz MYXZHMNZWSXHQY-QQFIATSDSA-N 0 1 247.342 2.788 20 0 BFADMN CC(C)=C(F)c1nc([C@@H](N)CC(C)C)no1 ZINC000339364569 187329582 /nfs/dbraw/zinc/32/95/82/187329582.db2.gz SZBZBEFSYWKAMN-QMMMGPOBSA-N 0 1 227.283 2.836 20 0 BFADMN Cc1cnc(CN(CC(C)C)C2CC2)o1 ZINC000075624134 398224736 /nfs/dbraw/zinc/22/47/36/398224736.db2.gz XEPZRCFSTNBIFI-UHFFFAOYSA-N 0 1 208.305 2.603 20 0 BFADMN C[C@H]1CC[C@H](c2nc(C3(N)CCC3)no2)CC1 ZINC000576402451 365586934 /nfs/dbraw/zinc/58/69/34/365586934.db2.gz HBCUYMHUZBONJB-MGCOHNPYSA-N 0 1 235.331 2.701 20 0 BFADMN Cc1cn[nH]c1CNc1ccc(F)c(C)c1 ZINC000289429398 178176313 /nfs/dbraw/zinc/17/63/13/178176313.db2.gz DNUSKEUJRBMVEB-UHFFFAOYSA-N 0 1 219.263 2.778 20 0 BFADMN CC[C@H]1CCCN(Cc2n[nH]c(C(C)C)n2)C1 ZINC000428212170 398222041 /nfs/dbraw/zinc/22/20/41/398222041.db2.gz ZGDLBDGYRJUVAT-NSHDSACASA-N 0 1 236.363 2.550 20 0 BFADMN Cc1nc(COc2cc(C)nc(C)c2)co1 ZINC000576412971 365591650 /nfs/dbraw/zinc/59/16/50/365591650.db2.gz WSZVVMUPXVUHIT-UHFFFAOYSA-N 0 1 218.256 2.574 20 0 BFADMN CCC(CC)C[N@@H+](CC)[C@H](CC)C(=O)[O-] ZINC000042487928 168350675 /nfs/dbraw/zinc/35/06/75/168350675.db2.gz QASJBINDMKLARV-LLVKDONJSA-N 0 1 215.337 2.608 20 0 BFADMN Cc1cnc(CN(C)C2CCCCC2)o1 ZINC000075616296 398224074 /nfs/dbraw/zinc/22/40/74/398224074.db2.gz KWTCAKWTVXTJLY-UHFFFAOYSA-N 0 1 208.305 2.748 20 0 BFADMN CC(=O)CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000263877372 187331863 /nfs/dbraw/zinc/33/18/63/187331863.db2.gz JLOSGWZAOYLUBG-LBPRGKRZSA-N 0 1 219.328 2.701 20 0 BFADMN Cc1c(Cl)c(CNC2(C(C)C)CC2)nn1C ZINC000421380580 192323997 /nfs/dbraw/zinc/32/39/97/192323997.db2.gz JXMBCIYDSMKNBL-UHFFFAOYSA-N 0 1 241.766 2.660 20 0 BFADMN CC1=C[C@@H](C)CN(CC(=O)Nc2ccccc2)C1 ZINC000430280872 398226448 /nfs/dbraw/zinc/22/64/48/398226448.db2.gz AWSSRBDZDRDMGH-GFCCVEGCSA-N 0 1 244.338 2.523 20 0 BFADMN C[C@@H]1CC[C@@H](O)CN1Cc1cc(Cl)cs1 ZINC000421382623 192324939 /nfs/dbraw/zinc/32/49/39/192324939.db2.gz YHWMSZAFEJXJRK-PSASIEDQSA-N 0 1 245.775 2.747 20 0 BFADMN Cc1cc(=O)[n-]c([C@@H](C)[NH+]2CCCCCCC2)n1 ZINC000192525174 178203546 /nfs/dbraw/zinc/20/35/46/178203546.db2.gz MTKQJXSHIZHVFL-GFCCVEGCSA-N 0 1 249.358 2.818 20 0 BFADMN C[C@@H]1C[C@@H]1CNCc1c(F)cc(F)c(F)c1F ZINC000430767427 398232296 /nfs/dbraw/zinc/23/22/96/398232296.db2.gz MNWPCLCRQQKEFU-RNFRBKRXSA-N 0 1 247.235 2.989 20 0 BFADMN CCN(C(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000276659739 538932814 /nfs/dbraw/zinc/93/28/14/538932814.db2.gz XYVVBXBXEPCDMV-UHFFFAOYSA-N 0 1 249.358 2.524 20 0 BFADMN Cc1cc([C@@H](C)NC[C@]2(C)CCCS2)no1 ZINC000309550188 178229276 /nfs/dbraw/zinc/22/92/76/178229276.db2.gz HXYXZGVJZRJATA-PWSUYJOCSA-N 0 1 240.372 2.919 20 0 BFADMN Cc1cc([C@@H](C)NCc2cnn(C)c2)c(C)s1 ZINC000037122829 178229693 /nfs/dbraw/zinc/22/96/93/178229693.db2.gz NEPPLHBXBUCTNQ-SNVBAGLBSA-N 0 1 249.383 2.949 20 0 BFADMN Cc1nc([C@H](C)N[C@@H](C)C[C@@H](C)O)c(C)s1 ZINC000164523121 538933819 /nfs/dbraw/zinc/93/38/19/538933819.db2.gz KKFVTONRQMZBOG-YIZRAAEISA-N 0 1 242.388 2.570 20 0 BFADMN Cc1[nH]ncc1C[N@H+](C)CC1CCCCC1 ZINC000179937168 259305431 /nfs/dbraw/zinc/30/54/31/259305431.db2.gz ONSNETWDDNSTQM-UHFFFAOYSA-N 0 1 221.348 2.730 20 0 BFADMN CC(C)N(C)Cc1nc2c(s1)CCCC2 ZINC000267025935 187332936 /nfs/dbraw/zinc/33/29/36/187332936.db2.gz SXXVCWYRYYSUTR-UHFFFAOYSA-N 0 1 224.373 2.862 20 0 BFADMN Cc1cc([C@H](C)NCCc2cccs2)no1 ZINC000279605869 178248770 /nfs/dbraw/zinc/24/87/70/178248770.db2.gz QFDACFMHGKHXIO-JTQLQIEISA-N 0 1 236.340 2.938 20 0 BFADMN Cc1cc([C@H](C)N[C@H]2CCCSC2)no1 ZINC000282191221 178258278 /nfs/dbraw/zinc/25/82/78/178258278.db2.gz BLAANYJVGWUFPC-UWVGGRQHSA-N 0 1 226.345 2.529 20 0 BFADMN Cn1cncc1CN1CC=C(C(C)(C)C)CC1 ZINC000270298666 187334964 /nfs/dbraw/zinc/33/49/64/187334964.db2.gz AEWHFTXGJWRBSY-UHFFFAOYSA-N 0 1 233.359 2.598 20 0 BFADMN C[C@@H](NCCCOc1ccccc1)c1ncc[nH]1 ZINC000285555162 538941856 /nfs/dbraw/zinc/94/18/56/538941856.db2.gz GVRWPDSRBYLAFN-GFCCVEGCSA-N 0 1 245.326 2.529 20 0 BFADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccsc1 ZINC000576589864 365633258 /nfs/dbraw/zinc/63/32/58/365633258.db2.gz HDMXOANEKSPTIP-SNVBAGLBSA-N 0 1 227.329 2.606 20 0 BFADMN Cc1cc(-c2cc(C(F)(F)F)n[nH]2)sn1 ZINC000649444091 398245965 /nfs/dbraw/zinc/24/59/65/398245965.db2.gz AWSBWBAJODJMGR-UHFFFAOYSA-N 0 1 233.218 2.860 20 0 BFADMN COc1nc(-c2cc(C(F)(F)F)n[nH]2)cs1 ZINC000649444249 398246647 /nfs/dbraw/zinc/24/66/47/398246647.db2.gz KBIDOXUTASMEON-UHFFFAOYSA-N 0 1 249.217 2.561 20 0 BFADMN Cc1ncc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000649444372 398246989 /nfs/dbraw/zinc/24/69/89/398246989.db2.gz QQKCTVAMEWYVEM-UHFFFAOYSA-N 0 1 233.218 2.860 20 0 BFADMN O=C([O-])C[N@@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000517750892 259308857 /nfs/dbraw/zinc/30/88/57/259308857.db2.gz UYUXPOXJOGKTBN-AWEZNQCLSA-N 0 1 245.322 2.682 20 0 BFADMN Cc1ncc(CN(C)CCc2ccccn2)s1 ZINC000077184857 398254043 /nfs/dbraw/zinc/25/40/43/398254043.db2.gz ZWHMRBAYIOEIAD-UHFFFAOYSA-N 0 1 247.367 2.521 20 0 BFADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)s1 ZINC000041052607 178337571 /nfs/dbraw/zinc/33/75/71/178337571.db2.gz NZEDODWTLLGORB-SECBINFHSA-N 0 1 237.328 2.762 20 0 BFADMN Fc1ccc2c(c1)nccc2NC1CCOCC1 ZINC000174911962 538949001 /nfs/dbraw/zinc/94/90/01/538949001.db2.gz OTDPWXYHQASPQV-UHFFFAOYSA-N 0 1 246.285 2.965 20 0 BFADMN Cc1cc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)n(C)n1 ZINC000417780788 398267526 /nfs/dbraw/zinc/26/75/26/398267526.db2.gz WBVGUSHAEDSTNP-YPMHNXCESA-N 0 1 235.375 2.739 20 0 BFADMN CCc1nc(CNC2[C@@H](C)CCC[C@@H]2C)no1 ZINC000182958159 346828545 /nfs/dbraw/zinc/82/85/45/346828545.db2.gz XLVTWARMDNOXSI-UWVGGRQHSA-N 0 1 237.347 2.546 20 0 BFADMN CC(C)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000081644613 398270429 /nfs/dbraw/zinc/27/04/29/398270429.db2.gz CSUITEKUBBKTPG-UHFFFAOYSA-N 0 1 249.339 2.619 20 0 BFADMN C[C@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000204837771 538954470 /nfs/dbraw/zinc/95/44/70/538954470.db2.gz RZYHGQYXKSCGDF-JTQLQIEISA-N 0 1 236.384 2.864 20 0 BFADMN Cc1ncc(C(=O)N(C(C)C)C2CCCC2)[nH]1 ZINC000270040855 187335346 /nfs/dbraw/zinc/33/53/46/187335346.db2.gz CYUGOWUESSWANI-UHFFFAOYSA-N 0 1 235.331 2.511 20 0 BFADMN CCSCC[C@H](C)NCc1ncc(C)o1 ZINC000602556342 349597409 /nfs/dbraw/zinc/59/74/09/349597409.db2.gz CXJOEGPRSGZAPP-VIFPVBQESA-N 0 1 228.361 2.604 20 0 BFADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCC1CCCC1 ZINC000650502356 398273756 /nfs/dbraw/zinc/27/37/56/398273756.db2.gz WTQRJVLNSWHDBC-DGCLKSJQSA-N 0 1 239.359 2.894 20 0 BFADMN CC[C@@H](N[C@H](C)COC)c1nc(C)cs1 ZINC000164992476 361834944 /nfs/dbraw/zinc/83/49/44/361834944.db2.gz LANGSNLBSZUDBK-PSASIEDQSA-N 0 1 228.361 2.527 20 0 BFADMN CC(=O)c1cc(CN2CCC[C@H]3CCC[C@@H]32)on1 ZINC000583915691 342683078 /nfs/dbraw/zinc/68/30/78/342683078.db2.gz KXQLFFYFQJMJKY-RISCZKNCSA-N 0 1 248.326 2.642 20 0 BFADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCC(C)(C)C ZINC000650501259 398275018 /nfs/dbraw/zinc/27/50/18/398275018.db2.gz VDIUHWPCVQYWPL-GHMZBOCLSA-N 0 1 227.348 2.750 20 0 BFADMN CCC(C)(C)CC[N@H+](CC(=O)[O-])CC1CC1 ZINC000650510762 398275608 /nfs/dbraw/zinc/27/56/08/398275608.db2.gz OXGSVWPTZIZRFZ-UHFFFAOYSA-N 0 1 227.348 2.609 20 0 BFADMN C[C@@H]1C[C@@H](C)CN(Cc2cc3n(n2)CCCC3)C1 ZINC000649481368 398278697 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/nfs/dbraw/zinc/24/79/80/192247980.db2.gz VFERVWZWEQZJQF-WCBMZHEXSA-N 0 1 237.372 2.686 20 0 BFADMN CCC[C@H](NCC(C)=O)c1ccccc1 ZINC000639561958 356476743 /nfs/dbraw/zinc/47/67/43/356476743.db2.gz QKJMJFQZXIXROB-ZDUSSCGKSA-N 0 1 205.301 2.706 20 0 BFADMN CC1=CC[N@@H+](Cc2cccc3c2CCOC3)CC1 ZINC000639572556 356496112 /nfs/dbraw/zinc/49/61/12/356496112.db2.gz WNLAYLXEAUUYEE-UHFFFAOYSA-N 0 1 243.350 2.911 20 0 BFADMN C[C@H]1CCCC[C@H]1NCc1nc(CC2CC2)no1 ZINC000639580735 356501508 /nfs/dbraw/zinc/50/15/08/356501508.db2.gz GIRGFHVTXBRBBF-CMPLNLGQSA-N 0 1 249.358 2.690 20 0 BFADMN Cc1cc(C)c(CN[C@@H](C)c2cn[nH]c2)c(C)n1 ZINC000639582400 356502892 /nfs/dbraw/zinc/50/28/92/356502892.db2.gz AMZMNBXXRMDVCI-NSHDSACASA-N 0 1 244.342 2.581 20 0 BFADMN CCCCOCCN1C[C@@H](CC)O[C@H](CC)C1 ZINC000420948404 192276213 /nfs/dbraw/zinc/27/62/13/192276213.db2.gz DQZPXRHBDJQZDQ-ZIAGYGMSSA-N 0 1 243.391 2.693 20 0 BFADMN CCC[C@@]1(CO)CCCN1CC(F)(F)CC ZINC000639626047 356540018 /nfs/dbraw/zinc/54/00/18/356540018.db2.gz GVIMXKZRSAIBCI-NSHDSACASA-N 0 1 235.318 2.659 20 0 BFADMN CCN(Cc1nc(C2CCC2)no1)CC1CCC1 ZINC000639620993 356541300 /nfs/dbraw/zinc/54/13/00/356541300.db2.gz LEHZXMYVINYVRO-UHFFFAOYSA-N 0 1 249.358 2.959 20 0 BFADMN CC(=O)CN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000639623274 356542517 /nfs/dbraw/zinc/54/25/17/356542517.db2.gz WJPXUAWERHRRSJ-AWEZNQCLSA-N 0 1 231.339 2.682 20 0 BFADMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccccn1 ZINC000639647130 356553966 /nfs/dbraw/zinc/55/39/66/356553966.db2.gz CFVUSRLTXZYMHJ-GFCCVEGCSA-N 0 1 249.358 2.531 20 0 BFADMN FC(F)(F)CCCC[N@H+]1CC[C@]12CCOC2 ZINC000421014672 192302613 /nfs/dbraw/zinc/30/26/13/192302613.db2.gz HNQIJNYTSDPLMY-SNVBAGLBSA-N 0 1 237.265 2.584 20 0 BFADMN FC(F)(F)CCCCN1CC[C@]12CCOC2 ZINC000421014672 192302615 /nfs/dbraw/zinc/30/26/15/192302615.db2.gz HNQIJNYTSDPLMY-SNVBAGLBSA-N 0 1 237.265 2.584 20 0 BFADMN C[C@@]1(F)CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000336198527 134127298 /nfs/dbraw/zinc/12/72/98/134127298.db2.gz KINAJWLKTGDTLK-NXEZZACHSA-N 0 1 221.266 2.856 20 0 BFADMN c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421019472 192304391 /nfs/dbraw/zinc/30/43/91/192304391.db2.gz MIKZICAFNCONDP-HRCADAONSA-N 0 1 243.350 2.655 20 0 BFADMN c1c2ccccc2oc1CN1CC[C@@]12CCOC2 ZINC000421026730 192307109 /nfs/dbraw/zinc/30/71/09/192307109.db2.gz SSAWGHCLDVQSHZ-HNNXBMFYSA-N 0 1 243.306 2.798 20 0 BFADMN Cc1c(Cl)c(CNCC(C)(C)C)nn1C ZINC000421331206 192317676 /nfs/dbraw/zinc/31/76/76/192317676.db2.gz ZOGZHQSVQPFXQK-UHFFFAOYSA-N 0 1 229.755 2.518 20 0 BFADMN CC[C@@H](C)[C@H](C)NCc1nn(C)c(C)c1Cl ZINC000421327824 192317728 /nfs/dbraw/zinc/31/77/28/192317728.db2.gz RHGUEKGHUQDORO-BDAKNGLRSA-N 0 1 243.782 2.906 20 0 BFADMN CCC(F)(F)CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000639662301 356576277 /nfs/dbraw/zinc/57/62/77/356576277.db2.gz JYYFICWMSRFQLV-QJPTWQEYSA-N 0 1 247.329 2.657 20 0 BFADMN C[C@H]1OCC[C@H]1CN1Cc2cccc(F)c2C1 ZINC000639671403 356587594 /nfs/dbraw/zinc/58/75/94/356587594.db2.gz WGLHWJPDGRJKNT-MNOVXSKESA-N 0 1 235.302 2.566 20 0 BFADMN CC(=O)CN1CCC[C@]1(C)Cc1ccccc1F ZINC000639692910 356602579 /nfs/dbraw/zinc/60/25/79/356602579.db2.gz HPSHSJKNMBGFBZ-OAHLLOKOSA-N 0 1 249.329 2.812 20 0 BFADMN CC[C@H](CN[C@@H](C)c1nc(C)sc1C)OC ZINC000381498894 538467916 /nfs/dbraw/zinc/46/79/16/538467916.db2.gz CGHGPORSZHZWAL-GZMMTYOYSA-N 0 1 242.388 2.836 20 0 BFADMN C[C@@H](CC1CCOCC1)NC(C)(C)C(F)F ZINC000381529595 538468255 /nfs/dbraw/zinc/46/82/55/538468255.db2.gz YKEBQZXBOJDVKY-VIFPVBQESA-N 0 1 235.318 2.825 20 0 BFADMN FCCN[C@@H]1CCc2c1cc(F)cc2F ZINC000380330458 538466257 /nfs/dbraw/zinc/46/62/57/538466257.db2.gz NXLSQVCDZGBARF-LLVKDONJSA-N 0 1 215.218 2.511 20 0 BFADMN C[C@H]1COCCN1CC/C=C\c1ccccc1 ZINC000450252957 202108546 /nfs/dbraw/zinc/10/85/46/202108546.db2.gz BGJJSHQGGPFKSC-UQYHUFHVSA-N 0 1 231.339 2.811 20 0 BFADMN CCN(Cc1ccn(CC(F)(F)F)n1)C(C)C ZINC000450278108 202115868 /nfs/dbraw/zinc/11/58/68/202115868.db2.gz OWCORJOJTGTHHB-UHFFFAOYSA-N 0 1 249.280 2.676 20 0 BFADMN CC1(C)COCCN1C[C@@H]1CCCCC1(F)F ZINC000450282739 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CLUMIBJIXUENOM-UHFFFAOYSA-N 0 1 239.359 2.760 20 0 BFADMN CCN(Cc1cn(C(C)C)nn1)CC(C)(C)C ZINC000361023667 356915843 /nfs/dbraw/zinc/91/58/43/356915843.db2.gz XNBWVTREJMEEMB-UHFFFAOYSA-N 0 1 238.379 2.727 20 0 BFADMN CCN(Cc1ccc(Cl)o1)[C@H]1CCOC1 ZINC000361237371 356920945 /nfs/dbraw/zinc/92/09/45/356920945.db2.gz JWZQSAPCPSTNJC-VIFPVBQESA-N 0 1 229.707 2.544 20 0 BFADMN CCC[C@@H](CNCc1oc(C)nc1C)OCC ZINC000628381509 356929180 /nfs/dbraw/zinc/92/91/80/356929180.db2.gz HULWYJNFKWHYBH-LBPRGKRZSA-N 0 1 240.347 2.586 20 0 BFADMN CCCCN(C)CC(=O)Nc1cc(C)ccc1C ZINC000048614900 168768297 /nfs/dbraw/zinc/76/82/97/168768297.db2.gz OSAPPUNTWBXDPY-UHFFFAOYSA-N 0 1 248.370 2.974 20 0 BFADMN Cc1ccccc1-c1nc(=N[C@@H]2C[C@H]2C)s[nH]1 ZINC000623934374 356941534 /nfs/dbraw/zinc/94/15/34/356941534.db2.gz PMFFMTUFDBRIRP-MWLCHTKSSA-N 0 1 245.351 2.756 20 0 BFADMN Cc1nc(CN2CC(C)(C)C[C@@H]2C)c(C)o1 ZINC000660806720 491106352 /nfs/dbraw/zinc/10/63/52/491106352.db2.gz WUSRQLBZJBJHFC-VIFPVBQESA-N 0 1 222.332 2.912 20 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CC[C@@H](NC[C@H](O)C(C)(C)C)c1nccs1 ZINC000304234386 357160569 /nfs/dbraw/zinc/16/05/69/357160569.db2.gz LUUCGDSQXKGWCZ-ZJUUUORDSA-N 0 1 242.388 2.591 20 0 BFADMN CCCC[C@H](CC)C(=O)Nc1nnc(CC)[nH]1 ZINC000123034143 357205383 /nfs/dbraw/zinc/20/53/83/357205383.db2.gz CAFBVRZDEQXDNI-VIFPVBQESA-N 0 1 238.335 2.522 20 0 BFADMN CCCC[C@H](CC)C(=O)Nc1nc(CC)n[nH]1 ZINC000123034143 357205386 /nfs/dbraw/zinc/20/53/86/357205386.db2.gz CAFBVRZDEQXDNI-VIFPVBQESA-N 0 1 238.335 2.522 20 0 BFADMN Fc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC000628409694 357207550 /nfs/dbraw/zinc/20/75/50/357207550.db2.gz XPCTYTHDBWPJHI-AOOOYVTPSA-N 0 1 225.694 2.931 20 0 BFADMN CCn1c2ccccc2nc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628408621 357208354 /nfs/dbraw/zinc/20/83/54/357208354.db2.gz DRXNVNAJNRMUCE-TXEJJXNPSA-N 0 1 241.338 2.508 20 0 BFADMN Clc1ccc(CN2C[C@@H]3C[C@@H]3C2)s1 ZINC000628409446 357210217 /nfs/dbraw/zinc/21/02/17/357210217.db2.gz SBEXKXOHSUXGIB-OCAPTIKFSA-N 0 1 213.733 2.853 20 0 BFADMN 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386765528 /nfs/dbraw/zinc/76/55/28/386765528.db2.gz UBDKTSBFDYLTJM-UHFFFAOYSA-N 0 1 242.388 2.745 20 0 BFADMN CC1(C)SC[C@@H]1NCc1cccnc1Cl ZINC000282879065 386769080 /nfs/dbraw/zinc/76/90/80/386769080.db2.gz RUKPWOWAGRPLMX-VIFPVBQESA-N 0 1 242.775 2.719 20 0 BFADMN c1c[nH]c(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000114494893 386790473 /nfs/dbraw/zinc/79/04/73/386790473.db2.gz VUSLBSHDOHFOCM-CQSZACIVSA-N 0 1 231.343 2.732 20 0 BFADMN CC(C)CCCN1CCOC[C@H]1CC(F)F ZINC000353322866 386792970 /nfs/dbraw/zinc/79/29/70/386792970.db2.gz DXORVVDVGICDFS-LLVKDONJSA-N 0 1 235.318 2.779 20 0 BFADMN CC[C@@H](C)CN1CCCC[C@@H]1c1nc(C)no1 ZINC000353545003 386794247 /nfs/dbraw/zinc/79/42/47/386794247.db2.gz CECNLMOMXWHSDY-ZYHUDNBSSA-N 0 1 237.347 2.951 20 0 BFADMN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccco1 ZINC000280106382 386777711 /nfs/dbraw/zinc/77/77/11/386777711.db2.gz NLHWPUHFDQBJNX-ZYHUDNBSSA-N 0 1 245.326 2.741 20 0 BFADMN C[C@@H]1c2cccn2CCN1C[C@H]1CCC(C)(C)O1 ZINC000248569986 386777585 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BFADMN CCC[C@H](C)CCNCc1nn(CC)nc1C ZINC000883250897 591591429 /nfs/dbraw/zinc/59/14/29/591591429.db2.gz SZADJTIHVHFVGQ-NSHDSACASA-N 0 1 238.379 2.522 20 0 BFADMN CCCCOC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000131353085 591598508 /nfs/dbraw/zinc/59/85/08/591598508.db2.gz RCLLEELUQZWUEW-LBPRGKRZSA-N 0 1 241.375 2.698 20 0 BFADMN Cc1nn(C)c(Cl)c1CN1[C@H](C)CC[C@H]1C ZINC000131465990 591610832 /nfs/dbraw/zinc/61/08/32/591610832.db2.gz VDWWHPHEOQRLHO-RKDXNWHRSA-N 0 1 241.766 2.755 20 0 BFADMN CCC[C@@H](C)NC1(c2ncccn2)CCC1 ZINC000883314143 591612185 /nfs/dbraw/zinc/61/21/85/591612185.db2.gz WZPHOTPXLRCMAZ-LLVKDONJSA-N 0 1 219.332 2.634 20 0 BFADMN C[C@@H](CC1CC1)NC1(c2ncccn2)CCC1 ZINC000883312396 591612323 /nfs/dbraw/zinc/61/23/23/591612323.db2.gz BOQZCHRWXIWQQD-NSHDSACASA-N 0 1 231.343 2.634 20 0 BFADMN CO[C@@H](C)[C@H](C)NCc1cc(O)ccc1Cl ZINC000883325688 591615651 /nfs/dbraw/zinc/61/56/51/591615651.db2.gz IDHXZIZYXIZACO-IUCAKERBSA-N 0 1 243.734 2.559 20 0 BFADMN COC(=O)/C(C)=C\CN(C)Cc1ccc(C)cc1 ZINC000214586328 591636196 /nfs/dbraw/zinc/63/61/96/591636196.db2.gz XHFZOXAJGUOKBD-LCYFTJDESA-N 0 1 247.338 2.546 20 0 BFADMN c1ccc2c(CN[C@@H]3CCCOC3)nsc2c1 ZINC000883401949 591648665 /nfs/dbraw/zinc/64/86/65/591648665.db2.gz DICXKZRZJNXYHG-SNVBAGLBSA-N 0 1 248.351 2.565 20 0 BFADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000883409545 591651771 /nfs/dbraw/zinc/65/17/71/591651771.db2.gz ZDYBQZPDGWCHNQ-NXEZZACHSA-N 0 1 249.301 2.607 20 0 BFADMN CC(C)(C)[C@H]1CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000132545964 591718897 /nfs/dbraw/zinc/71/88/97/591718897.db2.gz CGGNWVVLZRQMMR-NSHDSACASA-N 0 1 227.348 2.609 20 0 BFADMN CC[C@@H](C)CN(C)Cn1cc(C)cnc1=S ZINC000132595766 591722329 /nfs/dbraw/zinc/72/23/29/591722329.db2.gz ZHDYVCXFFDBLDQ-SNVBAGLBSA-N 0 1 239.388 2.856 20 0 BFADMN CC[C@H](C)OC(=O)[C@@H](C)N1CCCCCC1 ZINC000132608698 591724718 /nfs/dbraw/zinc/72/47/18/591724718.db2.gz SCUSYPVJCAWKKI-NWDGAFQWSA-N 0 1 227.348 2.593 20 0 BFADMN CC[C@@H](C)n1[nH]c(C2CCCC2)cc1=O ZINC000132861137 591743601 /nfs/dbraw/zinc/74/36/01/591743601.db2.gz GPIWHOBVEKYLIW-SECBINFHSA-N 0 1 208.305 2.563 20 0 BFADMN CCOC(=O)CN(C)C1CCCCCCC1 ZINC000134114660 591887915 /nfs/dbraw/zinc/88/79/15/591887915.db2.gz IDRYCEJZKRSLEL-UHFFFAOYSA-N 0 1 227.348 2.594 20 0 BFADMN Cc1cccc(NCC2(C3(O)CCC3)CCC2)n1 ZINC000884808716 592017992 /nfs/dbraw/zinc/01/79/92/592017992.db2.gz ZMJCCEBKNLSVDB-UHFFFAOYSA-N 0 1 246.354 2.887 20 0 BFADMN C[C@@H](C(=O)Nc1ccc(C(F)F)cc1)N(C)C ZINC000885580827 592085405 /nfs/dbraw/zinc/08/54/05/592085405.db2.gz DKVVOWXXZPSDJM-QMMMGPOBSA-N 0 1 242.269 2.513 20 0 BFADMN Cc1ccc(CN(C)C[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000885945077 592112500 /nfs/dbraw/zinc/11/25/00/592112500.db2.gz ZKMRUGXLZLSYKI-GJZGRUSLSA-N 0 1 249.354 2.977 20 0 BFADMN Cc1ccc(CN(C)C[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC000885945079 592112776 /nfs/dbraw/zinc/11/27/76/592112776.db2.gz ZKMRUGXLZLSYKI-LSDHHAIUSA-N 0 1 249.354 2.977 20 0 BFADMN CN(Cc1ccoc1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000885962460 592115617 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/nfs/dbraw/zinc/15/82/41/592158241.db2.gz PWOZALAWYMWMQT-UHFFFAOYSA-N 0 1 243.301 2.694 20 0 BFADMN FC(F)(F)SCCN1CC=CCC1 ZINC000886118814 592158428 /nfs/dbraw/zinc/15/84/28/592158428.db2.gz QCDCULOVPAGUSA-UHFFFAOYSA-N 0 1 211.252 2.501 20 0 BFADMN FCC(CF)N[C@H]1CCOC2(CCCCC2)C1 ZINC000886129657 592159754 /nfs/dbraw/zinc/15/97/54/592159754.db2.gz KRYKFNIPKOCHFL-NSHDSACASA-N 0 1 247.329 2.766 20 0 BFADMN Cc1coc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000886155710 592164997 /nfs/dbraw/zinc/16/49/97/592164997.db2.gz MTEMZNMOFLYEDW-GJZGRUSLSA-N 0 1 248.370 2.695 20 0 BFADMN c1oc(C2CC2)nc1CNC1(C2CC2)CCC1 ZINC000886392006 592223049 /nfs/dbraw/zinc/22/30/49/592223049.db2.gz NLKAPJMDPXFMOY-UHFFFAOYSA-N 0 1 232.327 2.974 20 0 BFADMN C[C@@H](NCCCC1CCOCC1)c1ncco1 ZINC000886538681 592252162 /nfs/dbraw/zinc/25/21/62/592252162.db2.gz MEMXJVSLDYYLCK-LLVKDONJSA-N 0 1 238.331 2.532 20 0 BFADMN C[C@H](NCCc1ccccc1F)c1ncco1 ZINC000886539373 592253636 /nfs/dbraw/zinc/25/36/36/592253636.db2.gz 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BFADMN Cc1cc(CNCc2cnc(C)cc2C)sn1 ZINC000404449185 384996023 /nfs/dbraw/zinc/99/60/23/384996023.db2.gz PWRWUADMLNDMTC-UHFFFAOYSA-N 0 1 247.367 2.753 20 0 BFADMN C[C@@H](F)CCNCc1csc(C2CC2)n1 ZINC000339487424 385003323 /nfs/dbraw/zinc/00/33/23/385003323.db2.gz VMAPUELNKXXXEX-MRVPVSSYSA-N 0 1 228.336 2.858 20 0 BFADMN Cc1cc(CN[C@@H](C)c2cccnc2)sn1 ZINC000404468975 385013958 /nfs/dbraw/zinc/01/39/58/385013958.db2.gz WIQZUNOUFKYVHR-JTQLQIEISA-N 0 1 233.340 2.697 20 0 BFADMN Fc1ccc(CN[C@H]2CCC[C@H]2F)cc1F ZINC000339583868 385019986 /nfs/dbraw/zinc/01/99/86/385019986.db2.gz JYWRIBDXJMMWTF-PWSUYJOCSA-N 0 1 229.245 2.945 20 0 BFADMN C[C@@H](N(C)C(=O)c1cc(C2CC2)[nH]n1)C1(C)CC1 ZINC000175798939 384963242 /nfs/dbraw/zinc/96/32/42/384963242.db2.gz KMLGIXZSAWLVAR-SECBINFHSA-N 0 1 247.342 2.548 20 0 BFADMN C[C@H](C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000647461394 385048137 /nfs/dbraw/zinc/04/81/37/385048137.db2.gz OQMAEEBTQYWMNH-IJLUTSLNSA-N 0 1 241.375 2.711 20 0 BFADMN 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385040922 /nfs/dbraw/zinc/04/09/22/385040922.db2.gz FKCKUVWDNFPGNU-SNVBAGLBSA-N 0 1 222.357 2.874 20 0 BFADMN C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757018 385042974 /nfs/dbraw/zinc/04/29/74/385042974.db2.gz MXPAEGHYMCJFPQ-QWHCGFSZSA-N 0 1 247.338 2.934 20 0 BFADMN CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728443 385043222 /nfs/dbraw/zinc/04/32/22/385043222.db2.gz FLQJQQWXKDTESC-UONOGXRCSA-N 0 1 247.338 2.934 20 0 BFADMN c1cn(-c2ccccc2)c(CN[C@H]2CC23CC3)n1 ZINC000424180969 385109286 /nfs/dbraw/zinc/10/92/86/385109286.db2.gz ACEVIHPJGUFUAU-ZDUSSCGKSA-N 0 1 239.322 2.514 20 0 BFADMN C[C@@H](N[C@@H](C)c1ccsc1)c1cnn(C)c1 ZINC000061361912 385112054 /nfs/dbraw/zinc/11/20/54/385112054.db2.gz YOOGWFPTWCPOIG-VHSXEESVSA-N 0 1 235.356 2.893 20 0 BFADMN Cc1ccc2nc(SCC(C)(C)O)[nH]c2c1 ZINC000061440458 385115544 /nfs/dbraw/zinc/11/55/44/385115544.db2.gz BDQKKUSGVRTBKR-UHFFFAOYSA-N 0 1 236.340 2.734 20 0 BFADMN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000289658931 385124846 /nfs/dbraw/zinc/12/48/46/385124846.db2.gz YVORNXUHCGJYJM-MWLCHTKSSA-N 0 1 209.337 2.632 20 0 BFADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccn1 ZINC000340523705 385088451 /nfs/dbraw/zinc/08/84/51/385088451.db2.gz OVDVPBAGIUXLFR-JBLDHEPKSA-N 0 1 208.280 2.623 20 0 BFADMN C[C@@H](N[C@H]1CCC1(C)C)c1cscn1 ZINC000287051609 385091094 /nfs/dbraw/zinc/09/10/94/385091094.db2.gz MXMZCJNYBVHFLU-SCZZXKLOSA-N 0 1 210.346 2.982 20 0 BFADMN CC(C)(C)C[C@H]1CCN(Cc2ncc[nH]2)C1 ZINC000449769803 385190159 /nfs/dbraw/zinc/19/01/59/385190159.db2.gz CJJPTNWNOZZZKT-LLVKDONJSA-N 0 1 221.348 2.668 20 0 BFADMN Cc1ccc(CN[C@H](C)c2cccnc2)cn1 ZINC000062051063 385152312 /nfs/dbraw/zinc/15/23/12/385152312.db2.gz WEOSUAFONXMWDZ-GFCCVEGCSA-N 0 1 227.311 2.636 20 0 BFADMN c1cncc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000176928165 385160102 /nfs/dbraw/zinc/16/01/02/385160102.db2.gz OPMSGVIFBKFRAP-KBPBESRZSA-N 0 1 248.395 2.942 20 0 BFADMN CC1(CNc2ccc3nc[nH]c3c2)CC1 ZINC000642796865 385172871 /nfs/dbraw/zinc/17/28/71/385172871.db2.gz XPKZYGQVXDIRNC-UHFFFAOYSA-N 0 1 201.273 2.775 20 0 BFADMN CCOC(=O)CN([C@H]1C=CCCC1)C(C)(C)C ZINC000178212205 385206671 /nfs/dbraw/zinc/20/66/71/385206671.db2.gz VFMNAZLMVYARRQ-LBPRGKRZSA-N 0 1 239.359 2.759 20 0 BFADMN CSCCCCN[C@H](C)c1cc(C)on1 ZINC000308846003 385206973 /nfs/dbraw/zinc/20/69/73/385206973.db2.gz ADRLHUICGNYGEK-SNVBAGLBSA-N 0 1 228.361 2.777 20 0 BFADMN Cc1nc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000152810082 385216439 /nfs/dbraw/zinc/21/64/39/385216439.db2.gz YQVAVPXCNXSETM-PHIMTYICSA-N 0 1 222.357 2.683 20 0 BFADMN Cc1ccc(C)c(OCCSc2cn[nH]n2)c1 ZINC000177363333 385227480 /nfs/dbraw/zinc/22/74/80/385227480.db2.gz YPFOJEVCPSBQCW-UHFFFAOYSA-N 0 1 249.339 2.593 20 0 BFADMN COC(=O)c1ccc([C@H](C)[N@@H+](C)CC(C)C)o1 ZINC000110310792 385227893 /nfs/dbraw/zinc/22/78/93/385227893.db2.gz AMXWRSOZHFUXHF-JTQLQIEISA-N 0 1 239.315 2.715 20 0 BFADMN Cc1ccc(C)c(CSc2cn[nH]n2)c1 ZINC000177367952 385229041 /nfs/dbraw/zinc/22/90/41/385229041.db2.gz KXHMVKMZBSHZHU-UHFFFAOYSA-N 0 1 219.313 2.714 20 0 BFADMN C[C@@H](NC1CCC(F)(F)CC1)c1csnn1 ZINC000647308879 385244696 /nfs/dbraw/zinc/24/46/96/385244696.db2.gz WWKPFSVXSONNDG-SSDOTTSWSA-N 0 1 247.314 2.767 20 0 BFADMN CC(C)c1nnc(CN[C@H](C)C2CC2)s1 ZINC000308885369 385250203 /nfs/dbraw/zinc/25/02/03/385250203.db2.gz VQHOIVJLARLYIN-MRVPVSSYSA-N 0 1 225.361 2.550 20 0 BFADMN FCCN[C@H]1CCCc2ccc(F)cc21 ZINC000308899688 385253829 /nfs/dbraw/zinc/25/38/29/385253829.db2.gz BLVIWMIBJGVDBX-LBPRGKRZSA-N 0 1 211.255 2.762 20 0 BFADMN Cc1nc(CN2CC[C@H](C)[C@@H]2C)cs1 ZINC000177896520 385303180 /nfs/dbraw/zinc/30/31/80/385303180.db2.gz QDQKBDLUMDUKES-IUCAKERBSA-N 0 1 210.346 2.682 20 0 BFADMN Cc1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000154140490 385304845 /nfs/dbraw/zinc/30/48/45/385304845.db2.gz FSQUVOZTHVUBMC-UHFFFAOYSA-N 0 1 231.339 2.750 20 0 BFADMN Cc1ncc(CN[C@@H]2CCc3ccccc32)o1 ZINC000334725427 385266146 /nfs/dbraw/zinc/26/61/46/385266146.db2.gz OIAKRQQIYSGUOD-CQSZACIVSA-N 0 1 228.295 2.760 20 0 BFADMN Fc1ccc2c(c1)[C@@H](N1CCSCC1)CC2 ZINC000177687132 385272385 /nfs/dbraw/zinc/27/23/85/385272385.db2.gz LDBZWJKAEOZBTK-ZDUSSCGKSA-N 0 1 237.343 2.862 20 0 BFADMN CC(C)c1nnc(CN[C@H](C)C(C)C)s1 ZINC000308981378 385322927 /nfs/dbraw/zinc/32/29/27/385322927.db2.gz IFGKNSGMKKBWRH-SECBINFHSA-N 0 1 227.377 2.796 20 0 BFADMN CO[C@@H](C)CNCc1ccnc(Cl)c1Cl ZINC000291670872 385292300 /nfs/dbraw/zinc/29/23/00/385292300.db2.gz WGKLLRZLSHYFLQ-ZETCQYMHSA-N 0 1 249.141 2.513 20 0 BFADMN CCC1CC(N[C@H](C)c2nnc(C)s2)C1 ZINC000308922416 385294684 /nfs/dbraw/zinc/29/46/84/385294684.db2.gz HKJNINASMBMCQV-CUUXFQNZSA-N 0 1 225.361 2.686 20 0 BFADMN FCCNC/C=C\c1ccc(F)cc1F ZINC000308921420 385295238 /nfs/dbraw/zinc/29/52/38/385295238.db2.gz IXQKYUIQQQZZSF-UPHRSURJSA-N 0 1 215.218 2.537 20 0 BFADMN CC[C@H](NCc1cnns1)c1cccs1 ZINC000308987582 385334985 /nfs/dbraw/zinc/33/49/85/385334985.db2.gz MMBPXCSVAIUZTJ-VIFPVBQESA-N 0 1 239.369 2.841 20 0 BFADMN CC(C)[C@@H]1CCCCN1Cc1cocn1 ZINC000191943709 385335304 /nfs/dbraw/zinc/33/53/04/385335304.db2.gz KGBHWVYRYPTXLC-LBPRGKRZSA-N 0 1 208.305 2.685 20 0 BFADMN CCC[C@H]1CCCN(Cc2cocn2)C1 ZINC000191946595 385336460 /nfs/dbraw/zinc/33/64/60/385336460.db2.gz DLQZJMJTWZERFC-NSHDSACASA-N 0 1 208.305 2.687 20 0 BFADMN C1=CO[C@@H](CNc2ccc3c(n2)CCC3)CC1 ZINC000294982543 385353914 /nfs/dbraw/zinc/35/39/14/385353914.db2.gz YINSUWJPGBRKKU-GFCCVEGCSA-N 0 1 230.311 2.675 20 0 BFADMN CCCC[N@H+](CC)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192526518 385360884 /nfs/dbraw/zinc/36/08/84/385360884.db2.gz LBRXIJVWPVGBGW-LLVKDONJSA-N 0 1 237.347 2.674 20 0 BFADMN CCCC[N@@H+](CC)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192526518 385360887 /nfs/dbraw/zinc/36/08/87/385360887.db2.gz LBRXIJVWPVGBGW-LLVKDONJSA-N 0 1 237.347 2.674 20 0 BFADMN CCN(C(=O)CN1CCC[C@H]1C)c1ccccc1 ZINC000154950805 385366786 /nfs/dbraw/zinc/36/67/86/385366786.db2.gz XVPSBHWFJHOZCQ-CYBMUJFWSA-N 0 1 246.354 2.524 20 0 BFADMN Cc1oc2ccccc2c1CNCCF ZINC000280832470 385374138 /nfs/dbraw/zinc/37/41/38/385374138.db2.gz XCWGIOXWVIRGGX-UHFFFAOYSA-N 0 1 207.248 2.800 20 0 BFADMN CCc1nnc(CN(CC2CCC2)C(C)C)o1 ZINC000193217301 385387321 /nfs/dbraw/zinc/38/73/21/385387321.db2.gz XTBMCWGGXOBQKE-UHFFFAOYSA-N 0 1 237.347 2.643 20 0 BFADMN C[C@H](NCc1cccc(O)c1)c1cncs1 ZINC000154412161 385326081 /nfs/dbraw/zinc/32/60/81/385326081.db2.gz KDVOTBGOFRCLKJ-VIFPVBQESA-N 0 1 234.324 2.700 20 0 BFADMN Cc1csc(CN2CCSCC[C@@H]2C)n1 ZINC000191810977 385327026 /nfs/dbraw/zinc/32/70/26/385327026.db2.gz LSWTXYDRSVAPKG-JTQLQIEISA-N 0 1 242.413 2.779 20 0 BFADMN Cc1c[nH]nc1CN[C@@H](C)c1cccs1 ZINC000289779856 385425256 /nfs/dbraw/zinc/42/52/56/385425256.db2.gz HBQIFFJREOWSPR-VIFPVBQESA-N 0 1 221.329 2.630 20 0 BFADMN COC(=O)c1coc(CNCC2=CCCCC2)c1 ZINC000295039920 385396762 /nfs/dbraw/zinc/39/67/62/385396762.db2.gz DWECXFZVYXVYEK-UHFFFAOYSA-N 0 1 249.310 2.656 20 0 BFADMN CC(=O)CCN(C)[C@H](C)c1sc(C)nc1C ZINC000155690010 385406562 /nfs/dbraw/zinc/40/65/62/385406562.db2.gz BOLJLUJARQFGES-SNVBAGLBSA-N 0 1 240.372 2.732 20 0 BFADMN c1ccc(CNCc2cccc3cccnc32)nc1 ZINC000020091620 385413145 /nfs/dbraw/zinc/41/31/45/385413145.db2.gz FHZKAULIZWZCSE-UHFFFAOYSA-N 0 1 249.317 2.920 20 0 BFADMN Fc1ccc2c(c1)CCN(C[C@H]1CCC=CO1)C2 ZINC000194588699 385441198 /nfs/dbraw/zinc/44/11/98/385441198.db2.gz HADNAIWXSIGFEV-OAHLLOKOSA-N 0 1 247.313 2.877 20 0 BFADMN Cc1cccc(CCN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000449037214 385443884 /nfs/dbraw/zinc/44/38/84/385443884.db2.gz XSHMOKRIONYWOF-KBPBESRZSA-N 0 1 233.355 2.647 20 0 BFADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC12CC2 ZINC000643351018 385448256 /nfs/dbraw/zinc/44/82/56/385448256.db2.gz XFYWLJNDQQBUHA-SNVBAGLBSA-N 0 1 241.294 2.610 20 0 BFADMN Cc1ccc(F)c(CNC(C)(C)CF)c1 ZINC000309169372 385448819 /nfs/dbraw/zinc/44/88/19/385448819.db2.gz KPMZSMYHBHATGG-UHFFFAOYSA-N 0 1 213.271 2.972 20 0 BFADMN Fc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000360079189 385453139 /nfs/dbraw/zinc/45/31/39/385453139.db2.gz ZXNXUHGVCITHDU-NUKKAUTMSA-N 0 1 247.313 2.702 20 0 BFADMN Fc1ccc(/C=C/CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000360079189 385453142 /nfs/dbraw/zinc/45/31/42/385453142.db2.gz ZXNXUHGVCITHDU-NUKKAUTMSA-N 0 1 247.313 2.702 20 0 BFADMN CCC[C@H](C)NCc1nnc(C(C)C)s1 ZINC000309181878 385453823 /nfs/dbraw/zinc/45/38/23/385453823.db2.gz NXDNYWQUJMKGOI-VIFPVBQESA-N 0 1 227.377 2.940 20 0 BFADMN Cc1nc(CN[C@H]2CSC[C@H]2C)c(C)s1 ZINC000309129238 385429495 /nfs/dbraw/zinc/42/94/95/385429495.db2.gz QSPOCHZXQZAKBG-HQJQHLMTSA-N 0 1 242.413 2.601 20 0 BFADMN CCN(C)Cc1cnc(-c2ccco2)s1 ZINC000194322847 385429453 /nfs/dbraw/zinc/42/94/53/385429453.db2.gz JCCAOKQRAGXUNH-UHFFFAOYSA-N 0 1 222.313 2.855 20 0 BFADMN CCCC(C)(C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616927915 385487772 /nfs/dbraw/zinc/48/77/72/385487772.db2.gz TXAFGLGJBIFUMI-UHFFFAOYSA-N 0 1 237.347 2.585 20 0 BFADMN Cc1cnc([C@@H](C)N2CCC[C@H](C)C2)o1 ZINC000334197310 385517468 /nfs/dbraw/zinc/51/74/68/385517468.db2.gz KUEMLDFUROIRTI-GXSJLCMTSA-N 0 1 208.305 2.776 20 0 BFADMN C[N@H+](Cc1c[nH]cn1)[C@H]1CCc2ccccc21 ZINC000179907122 385499557 /nfs/dbraw/zinc/49/95/57/385499557.db2.gz ZTFOYBIFTNSTNR-AWEZNQCLSA-N 0 1 227.311 2.529 20 0 BFADMN CN(Cc1ccnn1C)[C@@H]1CCc2ccccc21 ZINC000179907913 385499593 /nfs/dbraw/zinc/49/95/93/385499593.db2.gz KSPHMTSBIKAYDF-OAHLLOKOSA-N 0 1 241.338 2.539 20 0 BFADMN Cc1ccnc(NCCCNc2ccccn2)c1 ZINC000180409904 385521667 /nfs/dbraw/zinc/52/16/67/385521667.db2.gz WAFOHWSXHARQNI-UHFFFAOYSA-N 0 1 242.326 2.699 20 0 BFADMN CC(C)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000198663400 385557029 /nfs/dbraw/zinc/55/70/29/385557029.db2.gz PNASVQSAPZZSNR-UHFFFAOYSA-N 0 1 240.734 2.619 20 0 BFADMN Cc1ccc(C[N@@H+](C)CCCCC(=O)[O-])s1 ZINC000181555288 385583661 /nfs/dbraw/zinc/58/36/61/385583661.db2.gz MLIGWQNYQQIBFV-UHFFFAOYSA-N 0 1 241.356 2.743 20 0 BFADMN CC[C@@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000337301681 385589849 /nfs/dbraw/zinc/58/98/49/385589849.db2.gz ORXNHMRFRXVRHI-SECBINFHSA-N 0 1 208.305 2.782 20 0 BFADMN Cn1cccc1CNCc1cc(F)ccc1F ZINC000107929171 385592579 /nfs/dbraw/zinc/59/25/79/385592579.db2.gz UTZLTCYZUZLURU-UHFFFAOYSA-N 0 1 236.265 2.593 20 0 BFADMN FCCN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000280930055 385619769 /nfs/dbraw/zinc/61/97/69/385619769.db2.gz FKLRSEVQIDLKEV-AWEZNQCLSA-N 0 1 249.329 2.948 20 0 BFADMN CCCCCN(C(=O)CN(C)C)[C@H](C)CCC ZINC000340069314 385628772 /nfs/dbraw/zinc/62/87/72/385628772.db2.gz JTCIWSILHRFGPL-CYBMUJFWSA-N 0 1 242.407 2.755 20 0 BFADMN CCC1CCC(NCc2ncccn2)CC1 ZINC000054459471 385630152 /nfs/dbraw/zinc/63/01/52/385630152.db2.gz PQWWRJAAIMGYAD-UHFFFAOYSA-N 0 1 219.332 2.535 20 0 BFADMN Cc1cncc(CN[C@@H](C)c2ccccn2)c1 ZINC000181835268 385611108 /nfs/dbraw/zinc/61/11/08/385611108.db2.gz BFQALQGJLFLAOH-LBPRGKRZSA-N 0 1 227.311 2.636 20 0 BFADMN CC[C@H](NCc1cccs1)c1ccn(C)n1 ZINC000309486483 385612988 /nfs/dbraw/zinc/61/29/88/385612988.db2.gz VPLLFYGAVLUYKQ-NSHDSACASA-N 0 1 235.356 2.723 20 0 BFADMN C[C@H](N[C@H](CCO)C(C)(C)C)c1cscn1 ZINC000229576150 385638203 /nfs/dbraw/zinc/63/82/03/385638203.db2.gz GOJAICIETLWTCZ-GXSJLCMTSA-N 0 1 242.388 2.591 20 0 BFADMN C[C@H](N[C@@H](C)c1cccc(O)c1)c1cn[nH]c1 ZINC000229631612 385645268 /nfs/dbraw/zinc/64/52/68/385645268.db2.gz MSBUSTDQUMCKRE-UWVGGRQHSA-N 0 1 231.299 2.527 20 0 BFADMN FC(F)C1(NC[C@@H]2CCOC2)CCCCC1 ZINC000309518495 385652256 /nfs/dbraw/zinc/65/22/56/385652256.db2.gz AQZVZZBAFYCLKL-JTQLQIEISA-N 0 1 233.302 2.581 20 0 BFADMN CSC[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293583176 385664106 /nfs/dbraw/zinc/66/41/06/385664106.db2.gz NVNXYPOCNDPRON-MRVPVSSYSA-N 0 1 245.775 2.887 20 0 BFADMN C[N@@H+](CC1CCCC1)C1(C(=O)[O-])CCCC1 ZINC000308984846 385679838 /nfs/dbraw/zinc/67/98/38/385679838.db2.gz ZBJRVAKFSGLJGL-UHFFFAOYSA-N 0 1 225.332 2.506 20 0 BFADMN CC(C)c1nnc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000184586399 385680189 /nfs/dbraw/zinc/68/01/89/385680189.db2.gz UYTARUNIVCPOHX-QWRGUYRKSA-N 0 1 237.347 2.861 20 0 BFADMN Cc1noc([C@H](C)N[C@@H]2CCC(C)(C)C2)n1 ZINC000309551655 385683203 /nfs/dbraw/zinc/68/32/03/385683203.db2.gz ILORZYIUDVZJDQ-WCBMZHEXSA-N 0 1 223.320 2.607 20 0 BFADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cncs1 ZINC000307442977 385689693 /nfs/dbraw/zinc/68/96/93/385689693.db2.gz SZRXJPTYOVAVFB-XHNCKOQMSA-N 0 1 214.309 2.684 20 0 BFADMN c1ccc(CN[C@H](c2cccnc2)C2CC2)nc1 ZINC000340105774 385694889 /nfs/dbraw/zinc/69/48/89/385694889.db2.gz RHQGBIFMUUTNRA-HNNXBMFYSA-N 0 1 239.322 2.718 20 0 BFADMN COc1c(O)cccc1CN1CCC=C(C)C1 ZINC000281745255 385698990 /nfs/dbraw/zinc/69/89/90/385698990.db2.gz HJTQCDFDXNBVOS-UHFFFAOYSA-N 0 1 233.311 2.553 20 0 BFADMN Cc1cc(C)n(CCN(C)Cc2ccsc2)n1 ZINC000643201373 385670519 /nfs/dbraw/zinc/67/05/19/385670519.db2.gz JOEQUYOVFNJPSI-UHFFFAOYSA-N 0 1 249.383 2.693 20 0 BFADMN CC(C)c1ncc(CN[C@@H](C)CF)s1 ZINC000336654393 385731975 /nfs/dbraw/zinc/73/19/75/385731975.db2.gz MTBQTVIEUIYTNX-QMMMGPOBSA-N 0 1 216.325 2.714 20 0 BFADMN CCC[C@H]1CCCCN1C(=O)c1cc(CC)[nH]n1 ZINC000183070151 385734573 /nfs/dbraw/zinc/73/45/73/385734573.db2.gz SSMGQLATMOQPLN-LBPRGKRZSA-N 0 1 249.358 2.767 20 0 BFADMN Cc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])cc1C ZINC000061171567 385736432 /nfs/dbraw/zinc/73/64/32/385736432.db2.gz ZQVOBPJOCCOLEN-UHFFFAOYSA-N 0 1 235.327 2.598 20 0 BFADMN CCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061448913 385737886 /nfs/dbraw/zinc/73/78/86/385737886.db2.gz REKNDGLBBJOLRD-CQSZACIVSA-N 0 1 247.338 2.688 20 0 BFADMN CCCc1csc(CN[C@H]2C[C@@H]2C)n1 ZINC000336654822 385740516 /nfs/dbraw/zinc/74/05/16/385740516.db2.gz NBRZWUIPERDTQL-WPRPVWTQSA-N 0 1 210.346 2.594 20 0 BFADMN CCOCCN[C@H]1CCc2c1c(F)ccc2F ZINC000337698702 385744274 /nfs/dbraw/zinc/74/42/74/385744274.db2.gz CENHNIISNWRPCS-LBPRGKRZSA-N 0 1 241.281 2.578 20 0 BFADMN CCC[C@@H](C)CNCc1nnc(C2CC2)s1 ZINC000414554791 385754221 /nfs/dbraw/zinc/75/42/21/385754221.db2.gz LFHSCYCEVZEOEQ-SECBINFHSA-N 0 1 239.388 2.941 20 0 BFADMN Cc1ccccc1C[C@H](C)N(C)Cc1cc[nH]n1 ZINC000445260312 385769625 /nfs/dbraw/zinc/76/96/25/385769625.db2.gz JXNCMWMSROXAJP-ZDUSSCGKSA-N 0 1 243.354 2.781 20 0 BFADMN COC[C@@H](C)NCc1ccsc1Cl ZINC000308280654 385781915 /nfs/dbraw/zinc/78/19/15/385781915.db2.gz XPFZEYKGFHVSQY-SSDOTTSWSA-N 0 1 219.737 2.526 20 0 BFADMN C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000282016083 385724931 /nfs/dbraw/zinc/72/49/31/385724931.db2.gz OVXSMCFGQISGEI-BXUZGUMPSA-N 0 1 237.318 2.734 20 0 BFADMN CC(C)c1nnc(CN[C@@H]2C[C@@H](C)[C@@H]2C)s1 ZINC000309598377 385726946 /nfs/dbraw/zinc/72/69/46/385726946.db2.gz WWYBPPZJXJGIQY-KXUCPTDWSA-N 0 1 239.388 2.796 20 0 BFADMN CC(C)c1nnc(CN[C@@H]2C[C@H](C)[C@@H]2C)s1 ZINC000309598379 385727242 /nfs/dbraw/zinc/72/72/42/385727242.db2.gz WWYBPPZJXJGIQY-LPEHRKFASA-N 0 1 239.388 2.796 20 0 BFADMN C[C@H](NC[C@@H](O)c1ccccc1)c1cscn1 ZINC000162308192 385808289 /nfs/dbraw/zinc/80/82/89/385808289.db2.gz DJNIAGOBDYMPQH-GXFFZTMASA-N 0 1 248.351 2.527 20 0 BFADMN CCCN(CC(=O)OC(C)(C)C)C[C@@H]1C[C@@H]1C ZINC000488518470 385817982 /nfs/dbraw/zinc/81/79/82/385817982.db2.gz FASVQEJMKKYLJO-RYUDHWBXSA-N 0 1 241.375 2.696 20 0 BFADMN Cc1ccncc1CN(C)[C@H](C)c1ccncc1 ZINC000271396620 385824252 /nfs/dbraw/zinc/82/42/52/385824252.db2.gz MUSVWGAEJZWWEX-CYBMUJFWSA-N 0 1 241.338 2.978 20 0 BFADMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cn[nH]c1 ZINC000271440016 385829338 /nfs/dbraw/zinc/82/93/38/385829338.db2.gz FBRYTIDYRQNOSR-YMTOWFKASA-N 0 1 245.301 2.887 20 0 BFADMN Cc1cnc(CN2CCC(C)CC2)s1 ZINC000271490253 385832775 /nfs/dbraw/zinc/83/27/75/385832775.db2.gz JICFMVOGRUNDRZ-UHFFFAOYSA-N 0 1 210.346 2.683 20 0 BFADMN C[C@H](NCc1cccn1C)c1ccc(Cl)nc1 ZINC000271545671 385837233 /nfs/dbraw/zinc/83/72/33/385837233.db2.gz MEWPTBWBPZEVLF-JTQLQIEISA-N 0 1 249.745 2.924 20 0 BFADMN CCCC[N@@H+](C)CCNC(=O)C[C@@H](C)CCC ZINC000112308696 385837442 /nfs/dbraw/zinc/83/74/42/385837442.db2.gz RATBWNZPKWSAOY-ZDUSSCGKSA-N 0 1 242.407 2.661 20 0 BFADMN C[C@H](C[N@@H+](C)CCCCC(=O)[O-])c1ccccc1 ZINC000262231444 385839607 /nfs/dbraw/zinc/83/96/07/385839607.db2.gz MHUDNZISZDZAGB-CYBMUJFWSA-N 0 1 249.354 2.977 20 0 BFADMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)[C@H]1C ZINC000294387085 385844720 /nfs/dbraw/zinc/84/47/20/385844720.db2.gz YBJOTKOMXWBLDW-SFYZADRCSA-N 0 1 239.702 2.526 20 0 BFADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000262441685 385847407 /nfs/dbraw/zinc/84/74/07/385847407.db2.gz SXVXKKHPCXTYIS-WDEREUQCSA-N 0 1 239.340 2.748 20 0 BFADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccsc1 ZINC000262441684 385847838 /nfs/dbraw/zinc/84/78/38/385847838.db2.gz SXVXKKHPCXTYIS-QWRGUYRKSA-N 0 1 239.340 2.748 20 0 BFADMN CN(Cc1cnccn1)[C@@H]1C=CCCCCC1 ZINC000284136869 385853606 /nfs/dbraw/zinc/85/36/06/385853606.db2.gz VCQCWALDYQUCSL-CQSZACIVSA-N 0 1 231.343 2.797 20 0 BFADMN Cc1ccc(CN2CCO[C@H]3CCC[C@H]32)s1 ZINC000271129169 385790679 /nfs/dbraw/zinc/79/06/79/385790679.db2.gz OJKWIMFUZJZLPM-OLZOCXBDSA-N 0 1 237.368 2.810 20 0 BFADMN Cc1sccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000294720998 385887147 /nfs/dbraw/zinc/88/71/47/385887147.db2.gz PKHCFTZVDMGOSU-OLZOCXBDSA-N 0 1 237.368 2.810 20 0 BFADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CC1(C)C ZINC000272524808 385911625 /nfs/dbraw/zinc/91/16/25/385911625.db2.gz ZTSPKKFCSPVHAI-ZCFIWIBFSA-N 0 1 243.257 2.640 20 0 BFADMN Cc1noc(C(C)(C)NC[C@@H](C)CC(C)C)n1 ZINC000342094108 385923558 /nfs/dbraw/zinc/92/35/58/385923558.db2.gz BNLMSWVMDCYTOC-JTQLQIEISA-N 0 1 239.363 2.885 20 0 BFADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CC2(C)C)c1 ZINC000272690487 385923594 /nfs/dbraw/zinc/92/35/94/385923594.db2.gz PGWPSGCYQDOLPA-SNVBAGLBSA-N 0 1 247.294 2.579 20 0 BFADMN CC[C@@H](COC)NCc1c(F)cc(F)cc1F ZINC000340486874 385925835 /nfs/dbraw/zinc/92/58/35/385925835.db2.gz KQNOVHNCJHBTCN-VIFPVBQESA-N 0 1 247.260 2.619 20 0 BFADMN COc1nccnc1CN(C)C1CCCCCC1 ZINC000294507195 385859447 /nfs/dbraw/zinc/85/94/47/385859447.db2.gz CMQDWNBOGGNSEJ-UHFFFAOYSA-N 0 1 249.358 2.640 20 0 BFADMN CCC[C@H](C)[N@@H+](C)Cc1cc(F)ncc1F ZINC000294514498 385860805 /nfs/dbraw/zinc/86/08/05/385860805.db2.gz DNTYMKXMNJQQMB-VIFPVBQESA-N 0 1 228.286 2.980 20 0 BFADMN CCC[C@H](C)N(C)Cc1cc(F)ncc1F ZINC000294514498 385860808 /nfs/dbraw/zinc/86/08/08/385860808.db2.gz DNTYMKXMNJQQMB-VIFPVBQESA-N 0 1 228.286 2.980 20 0 BFADMN CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C[C@H]1C ZINC000451546437 385874343 /nfs/dbraw/zinc/87/43/43/385874343.db2.gz SBNWIDQEDORKCK-VNHYZAJKSA-N 0 1 248.370 2.890 20 0 BFADMN CCCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000272106804 385875600 /nfs/dbraw/zinc/87/56/00/385875600.db2.gz NVAJGLCTHHARFR-UHFFFAOYSA-N 0 1 235.283 2.724 20 0 BFADMN CCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272121487 385876891 /nfs/dbraw/zinc/87/68/91/385876891.db2.gz QMMMASDCLQAAJD-UHFFFAOYSA-N 0 1 249.358 2.614 20 0 BFADMN Cc1cnc(CN[C@@H]2C[C@H]2CC(C)C)s1 ZINC000394720160 385878453 /nfs/dbraw/zinc/87/84/53/385878453.db2.gz DPNZMEGVANKREF-GHMZBOCLSA-N 0 1 224.373 2.976 20 0 BFADMN CCCC[C@@H](CC)C(=O)N1CCc2nc[nH]c2C1 ZINC000647735927 385878750 /nfs/dbraw/zinc/87/87/50/385878750.db2.gz SETFJNAGHQOXHX-LLVKDONJSA-N 0 1 249.358 2.511 20 0 BFADMN Cc1ccc(F)c(CN(C)CC(C)(C)CO)c1 ZINC000294675138 385882601 /nfs/dbraw/zinc/88/26/01/385882601.db2.gz BDTHHRCZCGAIBG-UHFFFAOYSA-N 0 1 239.334 2.584 20 0 BFADMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccn(C)n1 ZINC000414134161 385981881 /nfs/dbraw/zinc/98/18/81/385981881.db2.gz NOOMIDXJVQSLAP-IUCAKERBSA-N 0 1 249.280 2.802 20 0 BFADMN Cc1nccc(N2CCO[C@@H](C)[C@H]2C)c1Cl ZINC000334321389 385986343 /nfs/dbraw/zinc/98/63/43/385986343.db2.gz WVGUKQULCQMDTH-ZJUUUORDSA-N 0 1 240.734 2.657 20 0 BFADMN C[C@H](CCO)NCc1c(Cl)cccc1Cl ZINC000096811415 385987889 /nfs/dbraw/zinc/98/78/89/385987889.db2.gz STTCRZSESJRWGY-MRVPVSSYSA-N 0 1 248.153 2.854 20 0 BFADMN Cc1noc([C@H](C)N2CC[C@@H](C3CCCC3)C2)n1 ZINC000643254523 385989089 /nfs/dbraw/zinc/98/90/89/385989089.db2.gz NQJGXTKHDBZCMJ-GXFFZTMASA-N 0 1 249.358 2.951 20 0 BFADMN CCCCC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000071739072 385934516 /nfs/dbraw/zinc/93/45/16/385934516.db2.gz VMAXVVZEJRPTIJ-UHFFFAOYSA-N 0 1 215.337 2.609 20 0 BFADMN CC(C)C[C@@H](N)c1noc(C[C@@H]2C=CCC2)n1 ZINC000414609930 385939380 /nfs/dbraw/zinc/93/93/80/385939380.db2.gz ACRFFLPDWHOJOE-GHMZBOCLSA-N 0 1 235.331 2.624 20 0 BFADMN CC(C)C[C@@H](N)c1noc([C@H](C)C(C)(F)F)n1 ZINC000414609903 385941080 /nfs/dbraw/zinc/94/10/80/385941080.db2.gz AXQUWXOOQZBNHW-JGVFFNPUSA-N 0 1 247.289 2.874 20 0 BFADMN CC(C)C[C@H](N)c1noc(C23CCC(CC2)C3)n1 ZINC000414611294 385945000 /nfs/dbraw/zinc/94/50/00/385945000.db2.gz CCIUACHACDZVBM-CVZZAPKMSA-N 0 1 249.358 2.947 20 0 BFADMN CC(C)C[C@@H](N)c1noc(C23CCC(CC2)C3)n1 ZINC000414611299 385947262 /nfs/dbraw/zinc/94/72/62/385947262.db2.gz CCIUACHACDZVBM-IQLKVPPVSA-N 0 1 249.358 2.947 20 0 BFADMN CC/C=C\CCN1CCN(Cc2ccco2)CC1 ZINC000342241839 385952365 /nfs/dbraw/zinc/95/23/65/385952365.db2.gz VANXYHASNUIXCS-ARJAWSKDSA-N 0 1 248.370 2.754 20 0 BFADMN CCOC[C@@H](N[C@H](C)c1cscn1)C(C)C ZINC000233754169 385993734 /nfs/dbraw/zinc/99/37/34/385993734.db2.gz CNRXJTDDLPLZRD-GHMZBOCLSA-N 0 1 242.388 2.855 20 0 BFADMN CC(C)C[C@@H](C)c1nc(C2(N)CCCC2)no1 ZINC000414614641 385952867 /nfs/dbraw/zinc/95/28/67/385952867.db2.gz HIQGYCBDTCUYQH-SNVBAGLBSA-N 0 1 237.347 2.947 20 0 BFADMN CO[C@H](C)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000285689374 385955571 /nfs/dbraw/zinc/95/55/71/385955571.db2.gz NRKQJTCFMHWQPQ-GFCCVEGCSA-N 0 1 244.338 2.702 20 0 BFADMN CC(C)c1nnc(CN[C@H](C)[C@@H]2C[C@H]2C)s1 ZINC000414094962 385959298 /nfs/dbraw/zinc/95/92/98/385959298.db2.gz GPWNRSWVPJFAMA-OPRDCNLKSA-N 0 1 239.388 2.796 20 0 BFADMN CCOc1ccc(CN[C@@H](C)CF)cc1OC ZINC000342210932 385959930 /nfs/dbraw/zinc/95/99/30/385959930.db2.gz YRLIJNHGYDZRSP-JTQLQIEISA-N 0 1 241.306 2.542 20 0 BFADMN CC/C=C/CNCc1c(Cl)n(C)nc1CC ZINC000295088964 385962371 /nfs/dbraw/zinc/96/23/71/385962371.db2.gz RIIHPWFZWRMXKS-VOTSOKGWSA-N 0 1 241.766 2.692 20 0 BFADMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1nccn1C ZINC000338361218 385969916 /nfs/dbraw/zinc/96/99/16/385969916.db2.gz ZRTXOGHIOMIGIV-LBPRGKRZSA-N 0 1 235.375 2.821 20 0 BFADMN C[C@@H](C1CCCCC1)N(C)Cc1nccn1C ZINC000338361218 385969924 /nfs/dbraw/zinc/96/99/24/385969924.db2.gz ZRTXOGHIOMIGIV-LBPRGKRZSA-N 0 1 235.375 2.821 20 0 BFADMN CC[C@@H](C)N1CCOc2cccc(F)c2C1 ZINC000338335121 385971343 /nfs/dbraw/zinc/97/13/43/385971343.db2.gz TVPFZQQACXXSRU-SNVBAGLBSA-N 0 1 223.291 2.819 20 0 BFADMN C/C(=C\C(C)(C)C)c1nc(C2(N)CCC2)no1 ZINC000334854750 385971627 /nfs/dbraw/zinc/97/16/27/385971627.db2.gz SJFIVINGIADLCU-CMDGGOBGSA-N 0 1 235.331 2.857 20 0 BFADMN CC1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000334232023 385975149 /nfs/dbraw/zinc/97/51/49/385975149.db2.gz MIUHYMFEOVUGMF-UHFFFAOYSA-N 0 1 247.342 2.549 20 0 BFADMN CC[C@H](C)[C@H](C)c1nc(C2(N)CCCC2)no1 ZINC000414631051 386007805 /nfs/dbraw/zinc/00/78/05/386007805.db2.gz WFLWKIWLJPITCY-UWVGGRQHSA-N 0 1 237.347 2.947 20 0 BFADMN CCc1ccc(CNCc2cc(C)nn2C)cc1 ZINC000234193483 386032052 /nfs/dbraw/zinc/03/20/52/386032052.db2.gz IFWNJEDSKJKQGF-UHFFFAOYSA-N 0 1 243.354 2.581 20 0 BFADMN C[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000334431971 386033539 /nfs/dbraw/zinc/03/35/39/386033539.db2.gz WOGXSTRSGKLGGT-SECBINFHSA-N 0 1 244.260 2.942 20 0 BFADMN CO[C@H]1CCC[C@H]1CNc1cccc(C)n1 ZINC000336771253 386033972 /nfs/dbraw/zinc/03/39/72/386033972.db2.gz UIFVSPUPWNZNCQ-RYUDHWBXSA-N 0 1 220.316 2.617 20 0 BFADMN O=C(CC1CCC1)Nc1ccc(F)c(F)c1O ZINC000335076164 386045689 /nfs/dbraw/zinc/04/56/89/386045689.db2.gz LYTHAWJIAWUHBY-UHFFFAOYSA-N 0 1 241.237 2.799 20 0 BFADMN CC[C@@H](F)CN1CCN(C)c2ccccc2C1 ZINC000440713150 386106074 /nfs/dbraw/zinc/10/60/74/386106074.db2.gz NUHIQOUHYULIGN-CYBMUJFWSA-N 0 1 236.334 2.687 20 0 BFADMN CCn1ccnc1NCc1cc(F)ccc1OC ZINC000414306309 386110359 /nfs/dbraw/zinc/11/03/59/386110359.db2.gz SSURXVXWGSECRC-UHFFFAOYSA-N 0 1 249.289 2.663 20 0 BFADMN C[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(O)c1 ZINC000340520999 386111195 /nfs/dbraw/zinc/11/11/95/386111195.db2.gz APGYQKPEPQSXQC-ZWKOPEQDSA-N 0 1 223.291 2.933 20 0 BFADMN CCn1ccnc1NCC1(OC)CCCCC1 ZINC000414310188 386112925 /nfs/dbraw/zinc/11/29/25/386112925.db2.gz ZJRGKSRTJADEDJ-UHFFFAOYSA-N 0 1 237.347 2.664 20 0 BFADMN C[C@@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)CO1 ZINC000645391041 386120919 /nfs/dbraw/zinc/12/09/19/386120919.db2.gz AUJHYWNEALSIOH-MWLCHTKSSA-N 0 1 246.285 2.963 20 0 BFADMN C[C@@H](NCc1nnc(C2CC2)s1)[C@@H]1C[C@H]1C ZINC000414320784 386121030 /nfs/dbraw/zinc/12/10/30/386121030.db2.gz COVSVVKHGVIMMF-NQMVMOMDSA-N 0 1 237.372 2.550 20 0 BFADMN CC[C@@H]1CC[C@H]1NCc1nnc(C2CC2)s1 ZINC000414324636 386121538 /nfs/dbraw/zinc/12/15/38/386121538.db2.gz KWKJXYULPXXABT-PSASIEDQSA-N 0 1 237.372 2.694 20 0 BFADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccnc(C)n1 ZINC000334443512 386063702 /nfs/dbraw/zinc/06/37/02/386063702.db2.gz MIXLLANIGZMZGG-ZWNOBZJWSA-N 0 1 219.332 2.548 20 0 BFADMN CC(C)(C)CCCN1CCOCC12CC2 ZINC000338594293 386069526 /nfs/dbraw/zinc/06/95/26/386069526.db2.gz XDSSFHAOWFROEE-UHFFFAOYSA-N 0 1 211.349 2.678 20 0 BFADMN CCc1ncc(CNCc2ccccc2C)cn1 ZINC000414256808 386082974 /nfs/dbraw/zinc/08/29/74/386082974.db2.gz LIPJIOVGOMFOIQ-UHFFFAOYSA-N 0 1 241.338 2.637 20 0 BFADMN CC[C@H](c1nc(-c2ccccc2F)no1)N(C)C ZINC000295829804 386091586 /nfs/dbraw/zinc/09/15/86/386091586.db2.gz HFQGRTAKPOGJIM-LLVKDONJSA-N 0 1 249.289 2.888 20 0 BFADMN COC(=O)[C@@H](c1ccccc1C)N1CC[C@H](C)C1 ZINC000274363003 386093802 /nfs/dbraw/zinc/09/38/02/386093802.db2.gz WZSSDFYKQRSTAQ-SMDDNHRTSA-N 0 1 247.338 2.551 20 0 BFADMN CCC[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414328756 386123301 /nfs/dbraw/zinc/12/33/01/386123301.db2.gz QAOUKJHRMZRGNC-MRVPVSSYSA-N 0 1 225.361 2.694 20 0 BFADMN Cc1ccc(F)cc1CN1CC2(C1)CCOCC2 ZINC000335153385 386147675 /nfs/dbraw/zinc/14/76/75/386147675.db2.gz HMYKJMHSFSRCIE-UHFFFAOYSA-N 0 1 249.329 2.747 20 0 BFADMN Clc1ccc2c(c1)CN(C[C@H]1CCOC1)C2 ZINC000335157022 386150180 /nfs/dbraw/zinc/15/01/80/386150180.db2.gz BTOAFJGDZNNBSW-SNVBAGLBSA-N 0 1 237.730 2.692 20 0 BFADMN CC(C)c1nsc(NC[C@H](C)CC(F)F)n1 ZINC000645304115 386155900 /nfs/dbraw/zinc/15/59/00/386155900.db2.gz ASGLAPWFRODQDZ-SSDOTTSWSA-N 0 1 249.330 2.787 20 0 BFADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)C(C)C ZINC000263776539 386175734 /nfs/dbraw/zinc/17/57/34/386175734.db2.gz GFFFEZSVYNIYGU-UHFFFAOYSA-N 0 1 245.326 2.742 20 0 BFADMN CC(C)c1ccc(CN(C)Cc2c[nH]nn2)cc1 ZINC000296485549 386177574 /nfs/dbraw/zinc/17/75/74/386177574.db2.gz KSXGFMBVWZEGAG-UHFFFAOYSA-N 0 1 244.342 2.560 20 0 BFADMN C[C@@H]1CN(Cc2ccc(Cl)s2)CC[C@@H]1O ZINC000164663999 386186766 /nfs/dbraw/zinc/18/67/66/386186766.db2.gz AGOOEAUFWROWJG-SCZZXKLOSA-N 0 1 245.775 2.604 20 0 BFADMN CCC=CCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000296597977 386187457 /nfs/dbraw/zinc/18/74/57/386187457.db2.gz VJVGPKJRTZGROV-PGLGOXFNSA-N 0 1 248.355 2.511 20 0 BFADMN Cc1cncc([C@@H](C)N[C@H](C)c2cnn(C)c2)c1 ZINC000274659245 386136742 /nfs/dbraw/zinc/13/67/42/386136742.db2.gz WFWMGDOFSZFCSX-VXGBXAGGSA-N 0 1 244.342 2.535 20 0 BFADMN Cc1cc2c[nH]nc2c(C(=O)N(C)CC(C)C)c1 ZINC000264026444 386205516 /nfs/dbraw/zinc/20/55/16/386205516.db2.gz ZQXUWHXCZKJHRM-UHFFFAOYSA-N 0 1 245.326 2.599 20 0 BFADMN C[C@@H](CF)NCc1cn(C)nc1-c1ccccc1 ZINC000288477002 386206345 /nfs/dbraw/zinc/20/63/45/386206345.db2.gz PKEJKRVJPRHEJL-NSHDSACASA-N 0 1 247.317 2.535 20 0 BFADMN C[C@H](CF)NCc1cccc2c1OC(C)(C)C2 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C[C@]1(CCNCc2ccon2)CC1(Cl)Cl ZINC000873131032 589985485 /nfs/dbraw/zinc/98/54/85/589985485.db2.gz JPTFRJOGHKTXCL-VIFPVBQESA-N 0 1 249.141 2.738 20 0 BFADMN C1=C[C@@H](CCCNCc2ccon2)CC1 ZINC000873153877 589987909 /nfs/dbraw/zinc/98/79/09/589987909.db2.gz KIMPWNSTTFTSNP-LLVKDONJSA-N 0 1 206.289 2.511 20 0 BFADMN CCCCOC(=O)CN1[C@@H](C)CC[C@@H]1CC ZINC000124640756 590070923 /nfs/dbraw/zinc/07/09/23/590070923.db2.gz AKPWTSSXBIRQSN-RYUDHWBXSA-N 0 1 227.348 2.593 20 0 BFADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)C1CCC1 ZINC000874693083 590123764 /nfs/dbraw/zinc/12/37/64/590123764.db2.gz PNCAGOGYJTWLIA-UHFFFAOYSA-N 0 1 249.701 2.955 20 0 BFADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000874693183 590123927 /nfs/dbraw/zinc/12/39/27/590123927.db2.gz SZBKUSXONGZPKX-UHFFFAOYSA-N 0 1 235.674 2.565 20 0 BFADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC12CCC2 ZINC000874785757 590135694 /nfs/dbraw/zinc/13/56/94/590135694.db2.gz UWKAGJCPHABHBC-JTQLQIEISA-N 0 1 247.342 2.514 20 0 BFADMN O=C(NOc1ccccc1F)C(C1CC1)C1CC1 ZINC000874911317 590154651 /nfs/dbraw/zinc/15/46/51/590154651.db2.gz JSZZHDZMVRRPSD-UHFFFAOYSA-N 0 1 249.285 2.672 20 0 BFADMN Cc1scc(C[N@@H+]2CCOC[C@@H](C)C2)c1C ZINC000876752060 590238103 /nfs/dbraw/zinc/23/81/03/590238103.db2.gz FSGYYIHPLUTJHM-JTQLQIEISA-N 0 1 239.384 2.833 20 0 BFADMN Cn1cnnc1[C@H]1CCCN1CC1(C)CCCC1 ZINC000876781948 590240543 /nfs/dbraw/zinc/24/05/43/590240543.db2.gz SMEQHGAEGPSTAV-GFCCVEGCSA-N 0 1 248.374 2.532 20 0 BFADMN CCCn1cc(C[N@@H+](CC)C[C@H](C)CC)nn1 ZINC000876790865 590241610 /nfs/dbraw/zinc/24/16/10/590241610.db2.gz DNYXTRZRKYVMKZ-GFCCVEGCSA-N 0 1 238.379 2.556 20 0 BFADMN CCCn1cc(CN(CC)C[C@H](C)CC)nn1 ZINC000876790865 590241611 /nfs/dbraw/zinc/24/16/11/590241611.db2.gz DNYXTRZRKYVMKZ-GFCCVEGCSA-N 0 1 238.379 2.556 20 0 BFADMN COc1cnc(F)c(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000876807825 590244758 /nfs/dbraw/zinc/24/47/58/590244758.db2.gz KZGOPXNAJKGDOW-UWVGGRQHSA-N 0 1 238.306 2.602 20 0 BFADMN CO[C@@H](CNCc1nc(Cl)cs1)C(C)C ZINC000877068496 590277159 /nfs/dbraw/zinc/27/71/59/590277159.db2.gz XQMQGWASZNPFSC-QMMMGPOBSA-N 0 1 248.779 2.557 20 0 BFADMN Clc1csc(CNC[C@H]2CCC=CO2)n1 ZINC000877460147 590331128 /nfs/dbraw/zinc/33/11/28/590331128.db2.gz QIMYNWUIZATQHZ-MRVPVSSYSA-N 0 1 244.747 2.579 20 0 BFADMN CC[C@](C)(CNCc1nc(Cl)cs1)OC ZINC000877565425 590360539 /nfs/dbraw/zinc/36/05/39/590360539.db2.gz ZBTNPGWLFMGNIS-SNVBAGLBSA-N 0 1 248.779 2.701 20 0 BFADMN CCC1(C)CN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000877582520 590366345 /nfs/dbraw/zinc/36/63/45/590366345.db2.gz ZZBUSPJSFYXNHR-QMMMGPOBSA-N 0 1 222.159 2.912 20 0 BFADMN Cc1cnc(CNCC[C@]2(C)C[C@@]2(F)Cl)o1 ZINC000877611590 590372534 /nfs/dbraw/zinc/37/25/34/590372534.db2.gz VMWSAXSKZCRZOQ-MNOVXSKESA-N 0 1 246.713 2.777 20 0 BFADMN Clc1csc(CNCC2=CCCC2)n1 ZINC000877635921 590380936 /nfs/dbraw/zinc/38/09/36/590380936.db2.gz HRXQFQVKISCPCR-UHFFFAOYSA-N 0 1 228.748 2.996 20 0 BFADMN CSC1CCN(Cc2ccnc(F)c2)CC1 ZINC000877663294 590387435 /nfs/dbraw/zinc/38/74/35/590387435.db2.gz OCJVGWSQLTYFDM-UHFFFAOYSA-N 0 1 240.347 2.548 20 0 BFADMN CC(C)(F)CNCc1cccc(Cl)c1N ZINC000877663512 590388426 /nfs/dbraw/zinc/38/84/26/590388426.db2.gz SSKMXOHPDKZDMH-UHFFFAOYSA-N 0 1 230.714 2.760 20 0 BFADMN FCCC1CCN(Cc2ccnc(F)c2)CC1 ZINC000877673242 590390152 /nfs/dbraw/zinc/39/01/52/590390152.db2.gz CZBPGUQSOBEUPW-UHFFFAOYSA-N 0 1 240.297 2.792 20 0 BFADMN CC(C)(C)Oc1cccc(CNC2(C)COC2)c1 ZINC000877691343 590393146 /nfs/dbraw/zinc/39/31/46/590393146.db2.gz NETGXDPVZBWKTN-UHFFFAOYSA-N 0 1 249.354 2.742 20 0 BFADMN C[C@H]1CCC[C@H](C2CN(Cc3cnccn3)C2)C1 ZINC000877763566 590419969 /nfs/dbraw/zinc/41/99/69/590419969.db2.gz BVKKFTSYYFGJIP-STQMWFEESA-N 0 1 245.370 2.735 20 0 BFADMN C[C@H]1CCC[C@@H](C2CN(Cc3cnn(C)c3)C2)C1 ZINC000877763983 590420118 /nfs/dbraw/zinc/42/01/18/590420118.db2.gz PZFAPOPKIXOMNN-GXTWGEPZSA-N 0 1 247.386 2.678 20 0 BFADMN C[C@@H]1CCC[C@@H](C2CN(Cc3cnccn3)C2)C1 ZINC000877763563 590420253 /nfs/dbraw/zinc/42/02/53/590420253.db2.gz BVKKFTSYYFGJIP-CHWSQXEVSA-N 0 1 245.370 2.735 20 0 BFADMN CC(C)(C)OC1CN(C[C@@]2(C)CCCS2)C1 ZINC000877769412 590421388 /nfs/dbraw/zinc/42/13/88/590421388.db2.gz BCOBDRULAHLRFI-CYBMUJFWSA-N 0 1 243.416 2.771 20 0 BFADMN C[C@]1(C(F)(F)F)CCN(Cc2cccnc2)C1 ZINC000877814887 590427382 /nfs/dbraw/zinc/42/73/82/590427382.db2.gz YZBSZWDLIWLNEY-NSHDSACASA-N 0 1 244.260 2.856 20 0 BFADMN Cc1nocc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812906 590427628 /nfs/dbraw/zinc/42/76/28/590427628.db2.gz UQTFFESKLUVIIY-JTQLQIEISA-N 0 1 248.248 2.757 20 0 BFADMN C[C@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)CCO1 ZINC000877895189 590441419 /nfs/dbraw/zinc/44/14/19/590441419.db2.gz BCPWGWSZLIPLKH-QWRGUYRKSA-N 0 1 233.302 2.533 20 0 BFADMN C[C@H]1CN(CC[C@@H]2CCCC2(F)F)CCO1 ZINC000877895189 590441420 /nfs/dbraw/zinc/44/14/20/590441420.db2.gz BCPWGWSZLIPLKH-QWRGUYRKSA-N 0 1 233.302 2.533 20 0 BFADMN C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)CCO1 ZINC000877895186 590442046 /nfs/dbraw/zinc/44/20/46/590442046.db2.gz BCPWGWSZLIPLKH-GHMZBOCLSA-N 0 1 233.302 2.533 20 0 BFADMN C[C@@H]1CN(CC[C@H]2CCCC2(F)F)CCO1 ZINC000877895186 590442047 /nfs/dbraw/zinc/44/20/47/590442047.db2.gz BCPWGWSZLIPLKH-GHMZBOCLSA-N 0 1 233.302 2.533 20 0 BFADMN C(c1nc2c(o1)CCCC2)N1CCCCCC1 ZINC000877942790 590454203 /nfs/dbraw/zinc/45/42/03/590454203.db2.gz QBYTYBDGYRAIKQ-UHFFFAOYSA-N 0 1 234.343 2.929 20 0 BFADMN C[C@H]1COCCN1CC[C@@H]1CCCC1(F)F ZINC000877953205 590454843 /nfs/dbraw/zinc/45/48/43/590454843.db2.gz JAIXTLMVAZCIFU-QWRGUYRKSA-N 0 1 233.302 2.533 20 0 BFADMN CN(Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000877966261 590459110 /nfs/dbraw/zinc/45/91/10/590459110.db2.gz FHKGILIQMSZEFT-UHFFFAOYSA-N 0 1 219.206 2.893 20 0 BFADMN CN(CC[C@@H]1CCCC1(F)F)Cc1cc[nH]n1 ZINC000878097688 590493155 /nfs/dbraw/zinc/49/31/55/590493155.db2.gz LKMCQCPSSCLMIT-JTQLQIEISA-N 0 1 243.301 2.667 20 0 BFADMN CC[C@@H]1COCCN1CC[C@@H]1CCCC1(F)F ZINC000878108456 590496660 /nfs/dbraw/zinc/49/66/60/590496660.db2.gz KDQOXTAFLXAPGV-NWDGAFQWSA-N 0 1 247.329 2.923 20 0 BFADMN CC[C@H](C)CN(CC)Cc1nocc1C ZINC000878165086 590513030 /nfs/dbraw/zinc/51/30/30/590513030.db2.gz QUZGXOBAPRZZKM-JTQLQIEISA-N 0 1 210.321 2.851 20 0 BFADMN Cc1conc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000878176765 590516609 /nfs/dbraw/zinc/51/66/09/590516609.db2.gz NAECRAOCKDPJDK-AWEZNQCLSA-N 0 1 242.322 2.800 20 0 BFADMN Cc1conc1CN1CC[C@H]1Cc1ccccc1 ZINC000878176765 590516611 /nfs/dbraw/zinc/51/66/11/590516611.db2.gz NAECRAOCKDPJDK-AWEZNQCLSA-N 0 1 242.322 2.800 20 0 BFADMN C[C@@H](CN(C)Cc1ncc[nH]1)CC(C)(C)C ZINC000878314991 590541864 /nfs/dbraw/zinc/54/18/64/590541864.db2.gz CDCPXZCFDLRHFV-LLVKDONJSA-N 0 1 223.364 2.914 20 0 BFADMN CC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000878367373 590554502 /nfs/dbraw/zinc/55/45/02/590554502.db2.gz RYVUPYAGYMHUIO-VIFPVBQESA-N 0 1 245.244 2.945 20 0 BFADMN Cc1conc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000878541903 590589289 /nfs/dbraw/zinc/58/92/89/590589289.db2.gz HYHNEIZLEGYYHP-NSHDSACASA-N 0 1 222.332 2.994 20 0 BFADMN CSC[C@H]1CCCN(Cc2nocc2C)C1 ZINC000878646701 590600961 /nfs/dbraw/zinc/60/09/61/590600961.db2.gz GFOFRRUSEXPZKH-NSHDSACASA-N 0 1 240.372 2.558 20 0 BFADMN CSC[C@@H]1CCCN(Cc2nocc2C)C1 ZINC000878646700 590601278 /nfs/dbraw/zinc/60/12/78/590601278.db2.gz GFOFRRUSEXPZKH-LLVKDONJSA-N 0 1 240.372 2.558 20 0 BFADMN CC1(C)CC[C@@H]1NCC(=O)c1ccccc1F ZINC000878672639 590607315 /nfs/dbraw/zinc/60/73/15/590607315.db2.gz IHZOPZPXYQEIRL-ZDUSSCGKSA-N 0 1 235.302 2.787 20 0 BFADMN Cc1conc1CN1CC(C)(C)C[C@@H]1C ZINC000878711482 590613420 /nfs/dbraw/zinc/61/34/20/590613420.db2.gz POPACVBXVCTDTI-JTQLQIEISA-N 0 1 208.305 2.603 20 0 BFADMN C=C/C=C\CCN(C1CC1)C1(C(=O)OC)CCC1 ZINC000878717438 590615378 /nfs/dbraw/zinc/61/53/78/590615378.db2.gz ZZLALHFIBQGAGG-PLNGDYQASA-N 0 1 249.354 2.679 20 0 BFADMN OCCCCCCCN1CCC=C(Cl)C1 ZINC000878793514 590623987 /nfs/dbraw/zinc/62/39/87/590623987.db2.gz FGNPMFAPEAUFAC-UHFFFAOYSA-N 0 1 231.767 2.758 20 0 BFADMN Cc1conc1CN1CCC12CCCC2 ZINC000878800737 590624841 /nfs/dbraw/zinc/62/48/41/590624841.db2.gz ANWRQYPFRLVEMX-UHFFFAOYSA-N 0 1 206.289 2.502 20 0 BFADMN C(NC1(C2CCC2)CC1)c1nc2c(o1)CCCC2 ZINC000878807972 590626508 /nfs/dbraw/zinc/62/65/08/590626508.db2.gz XABJLZAUXHFTTM-UHFFFAOYSA-N 0 1 246.354 2.976 20 0 BFADMN CN(CCCCCCCO)Cc1ccns1 ZINC000878900532 590643247 /nfs/dbraw/zinc/64/32/47/590643247.db2.gz FUHUVOKYNHIZNJ-UHFFFAOYSA-N 0 1 242.388 2.518 20 0 BFADMN CCCCCC[C@@H](C)NC(=O)c1cnccc1N ZINC000127408123 590653820 /nfs/dbraw/zinc/65/38/20/590653820.db2.gz DMQSNZGHBODTGG-LLVKDONJSA-N 0 1 249.358 2.753 20 0 BFADMN Cc1ccc(CN2CC[C@H]3C[C@H]3C2)nc1Cl ZINC000878988378 590669888 /nfs/dbraw/zinc/66/98/88/590669888.db2.gz OKFOLZOVAPNBDZ-QWRGUYRKSA-N 0 1 236.746 2.885 20 0 BFADMN C=C/C=C/CCN1Cc2ccc(O)cc2C1 ZINC000879034115 590683080 /nfs/dbraw/zinc/68/30/80/590683080.db2.gz YBUXNPHPBKGYCP-ONEGZZNKSA-N 0 1 215.296 2.840 20 0 BFADMN Cc1n[nH]cc1CN(C)Cc1ccc(CF)cc1 ZINC000879188954 590712227 /nfs/dbraw/zinc/71/22/27/590712227.db2.gz UIBDQORDBRGCOF-UHFFFAOYSA-N 0 1 247.317 2.820 20 0 BFADMN Cc1ncc([C@H](C)NC/C=C\Cl)s1 ZINC000879251474 590720655 /nfs/dbraw/zinc/72/06/55/590720655.db2.gz KTFUNXUTDGGYNR-AVALRIAPSA-N 0 1 216.737 2.855 20 0 BFADMN CC[C@H](C)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879636126 590842426 /nfs/dbraw/zinc/84/24/26/590842426.db2.gz HJFNMIHCQHVJKD-WFASDCNBSA-N 0 1 249.354 2.867 20 0 BFADMN Cc1nonc1C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000879789379 590869993 /nfs/dbraw/zinc/86/99/93/590869993.db2.gz NWXASIWBBOKHKU-CQSZACIVSA-N 0 1 249.358 2.923 20 0 BFADMN Cc1nonc1CN1CC[C@]1(C)C1CCCCC1 ZINC000879789379 590869997 /nfs/dbraw/zinc/86/99/97/590869997.db2.gz NWXASIWBBOKHKU-CQSZACIVSA-N 0 1 249.358 2.923 20 0 BFADMN Cc1occc1-c1noc([C@H]2C[C@@H](C)CCN2)n1 ZINC000128085138 590891151 /nfs/dbraw/zinc/89/11/51/590891151.db2.gz VJAVPFUNRVMLDC-GZMMTYOYSA-N 0 1 247.298 2.699 20 0 BFADMN FC[C@@H]1CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000880230514 590961508 /nfs/dbraw/zinc/96/15/08/590961508.db2.gz LTAVINNFNLLCRR-IUCAKERBSA-N 0 1 240.149 2.862 20 0 BFADMN CCCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268596 590981734 /nfs/dbraw/zinc/98/17/34/590981734.db2.gz MTJVAIHTDSICEH-UHFFFAOYSA-N 0 1 247.264 2.518 20 0 BFADMN Fc1cc2c(cc1F)CN(CC1CC1)CC2 ZINC000880446569 591047040 /nfs/dbraw/zinc/04/70/40/591047040.db2.gz IPZBHUOYILJVAK-UHFFFAOYSA-N 0 1 223.266 2.733 20 0 BFADMN CCC[C@H](C)CCNC(=O)c1[nH]nc(C)c1C ZINC000881530860 591230996 /nfs/dbraw/zinc/23/09/96/591230996.db2.gz ZUQOGBCDOWHJEJ-VIFPVBQESA-N 0 1 237.347 2.583 20 0 BFADMN C=C/C=C\CCNC(=O)c1c(C)n[nH]c1C(C)C ZINC000881568849 591243640 /nfs/dbraw/zinc/24/36/40/591243640.db2.gz YHRDALWOHPJEIF-SREVYHEPSA-N 0 1 247.342 2.704 20 0 BFADMN C=C/C=C/CCSc1nc(C2CC2)n[nH]1 ZINC000882089949 591296026 /nfs/dbraw/zinc/29/60/26/591296026.db2.gz VJITUPPBNIDSSP-ONEGZZNKSA-N 0 1 221.329 2.907 20 0 BFADMN C=C/C=C/CCSc1n[nH]c(C2CC2)n1 ZINC000882089949 591296028 /nfs/dbraw/zinc/29/60/28/591296028.db2.gz VJITUPPBNIDSSP-ONEGZZNKSA-N 0 1 221.329 2.907 20 0 BFADMN CC(C)c1c[nH]c(CN[C@@H](C)Cc2ccco2)n1 ZINC000882883841 591463039 /nfs/dbraw/zinc/46/30/39/591463039.db2.gz NLURZGTZWFVOLY-NSHDSACASA-N 0 1 247.342 2.847 20 0 BFADMN CCC(N)=NOCC[C@H]1CCCC1(F)F ZINC000882959139 591485420 /nfs/dbraw/zinc/48/54/20/591485420.db2.gz WGPMZWAHMCJLAX-MRVPVSSYSA-N 0 1 220.263 2.720 20 0 BFADMN CSc1ccc(CNCCOC2CCC2)o1 ZINC000883022238 591517693 /nfs/dbraw/zinc/51/76/93/591517693.db2.gz QRQHOJRBDZGUSC-UHFFFAOYSA-N 0 1 241.356 2.660 20 0 BFADMN C[C@@H]1CCC[C@@H](NC(CF)CF)CC1 ZINC000883132375 591546527 /nfs/dbraw/zinc/54/65/27/591546527.db2.gz PJRYAJGEEVKERS-NXEZZACHSA-N 0 1 205.292 2.852 20 0 BFADMN CCC=CCNCc1nc(C(C)C)c[nH]1 ZINC000883132921 591547199 /nfs/dbraw/zinc/54/71/99/591547199.db2.gz JIDPXBPBNSNYLK-WAYWQWQTSA-N 0 1 207.321 2.589 20 0 BFADMN CC[C@@H](NC/C=C\CO)c1sccc1Cl ZINC000883235268 591582793 /nfs/dbraw/zinc/58/27/93/591582793.db2.gz YNQAKKYGSKRXBL-UMBAGQNISA-N 0 1 245.775 2.991 20 0 BFADMN Cc1ccc(CNCc2cc[nH]c2)c(Cl)n1 ZINC000883292127 591608531 /nfs/dbraw/zinc/60/85/31/591608531.db2.gz DUYWLOKXRIBUNO-UHFFFAOYSA-N 0 1 235.718 2.661 20 0 BFADMN CC(C)C1CC(NC2(c3ncccn3)CCC2)C1 ZINC000883311487 591610537 /nfs/dbraw/zinc/61/05/37/591610537.db2.gz BHJOBAPNAXPUMK-UHFFFAOYSA-N 0 1 245.370 2.880 20 0 BFADMN CC[C@@H](COC)NCc1cc(O)ccc1Cl ZINC000883326083 591616514 /nfs/dbraw/zinc/61/65/14/591616514.db2.gz RZPACQTVVLUMLT-JTQLQIEISA-N 0 1 243.734 2.560 20 0 BFADMN CC[N@@H+](CC[C@@H]1CCCC1(F)F)[C@H](C)C(=O)[O-] ZINC000883409146 591651099 /nfs/dbraw/zinc/65/10/99/591651099.db2.gz PQZURKMGFJJGDB-ZJUUUORDSA-N 0 1 249.301 2.607 20 0 BFADMN C[C@@H](NCCSC(C)(C)C)c1nccn1C ZINC000132251903 591695383 /nfs/dbraw/zinc/69/53/83/591695383.db2.gz SQHPMLCVEPDCLK-SNVBAGLBSA-N 0 1 241.404 2.602 20 0 BFADMN C[C@]1(c2nc(-c3cccs3)no2)CCCCN1 ZINC000133831911 591861742 /nfs/dbraw/zinc/86/17/42/591861742.db2.gz NWVVDSBKYLAINJ-GFCCVEGCSA-N 0 1 249.339 2.787 20 0 BFADMN Cc1ccc(N[C@H](C)C(C)C)c(N(C)C)n1 ZINC000134369779 591923599 /nfs/dbraw/zinc/92/35/99/591923599.db2.gz IGBXNLFVTYOJKC-LLVKDONJSA-N 0 1 221.348 2.912 20 0 BFADMN CCC1CCC(NCc2nnc(C)s2)CC1 ZINC000134665131 591946828 /nfs/dbraw/zinc/94/68/28/591946828.db2.gz VRODRYDQRQWODA-UHFFFAOYSA-N 0 1 239.388 2.905 20 0 BFADMN Cc1coc(CNCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000885923200 592108636 /nfs/dbraw/zinc/10/86/36/592108636.db2.gz SVCXUWGMOJROPA-ZDUSSCGKSA-N 0 1 236.359 2.552 20 0 BFADMN COCc1cccc(NCc2n[nH]c(C)c2C)c1 ZINC000885933104 592109635 /nfs/dbraw/zinc/10/96/35/592109635.db2.gz JTCFOAMZBVMEDO-UHFFFAOYSA-N 0 1 245.326 2.785 20 0 BFADMN Cc1coc(CNCc2ccc([C@@H](C)O)cc2)c1 ZINC000885940705 592111751 /nfs/dbraw/zinc/11/17/51/592111751.db2.gz PGWBMVGGWNVINF-GFCCVEGCSA-N 0 1 245.322 2.931 20 0 BFADMN Cc1ccc(CN(C)C[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC000885945076 592113224 /nfs/dbraw/zinc/11/32/24/592113224.db2.gz ZKMRUGXLZLSYKI-CABCVRRESA-N 0 1 249.354 2.977 20 0 BFADMN CC[C@H](NCc1[nH]nc(C)c1C)c1ccncc1 ZINC000885997788 592125576 /nfs/dbraw/zinc/12/55/76/592125576.db2.gz XBGSKZLAWVNDNZ-ZDUSSCGKSA-N 0 1 244.342 2.662 20 0 BFADMN CCc1cccnc1NCc1n[nH]c(C)c1C ZINC000886044573 592140510 /nfs/dbraw/zinc/14/05/10/592140510.db2.gz ZUHQVBLOTWHCSN-UHFFFAOYSA-N 0 1 230.315 2.596 20 0 BFADMN COCc1ccc(NCc2n[nH]c(C)c2C)cc1 ZINC000886094533 592147819 /nfs/dbraw/zinc/14/78/19/592147819.db2.gz UWUDPQALZKWKSU-UHFFFAOYSA-N 0 1 245.326 2.785 20 0 BFADMN Cc1cc(NCc2n[nH]c(C)c2C)nn1C(C)C ZINC000886149551 592163546 /nfs/dbraw/zinc/16/35/46/592163546.db2.gz RCCNXJJTDXIMFI-UHFFFAOYSA-N 0 1 247.346 2.724 20 0 BFADMN COCC1CCC(N[C@@H](C)c2ncco2)CC1 ZINC000886272524 592193210 /nfs/dbraw/zinc/19/32/10/592193210.db2.gz RSFTZLHSRJLRII-UNXYVOJBSA-N 0 1 238.331 2.530 20 0 BFADMN COC(C)(C)C[C@@H](C)N[C@H](C)c1ncco1 ZINC000886274712 592195017 /nfs/dbraw/zinc/19/50/17/592195017.db2.gz ZCOYXAMVWGHQQW-NXEZZACHSA-N 0 1 226.320 2.529 20 0 BFADMN C[C@H](N[C@@H]1CCc2ccccc2C1)c1ncco1 ZINC000886275917 592195364 /nfs/dbraw/zinc/19/53/64/592195364.db2.gz QLQLWLIPQJWGMG-SMDDNHRTSA-N 0 1 242.322 2.883 20 0 BFADMN C[C@@H](c1c(F)cccc1F)N1C[C@@H]2C[C@@H]2C1 ZINC000886331221 592210635 /nfs/dbraw/zinc/21/06/35/592210635.db2.gz CHPSUTRUCYXVOU-LPEHRKFASA-N 0 1 223.266 2.978 20 0 BFADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886332496 592211237 /nfs/dbraw/zinc/21/12/37/592211237.db2.gz VFBZXLZTBBLWTJ-INTQDDNPSA-N 0 1 223.266 2.978 20 0 BFADMN Cc1cnc(CCN[C@H](C)c2ncco2)c(C)c1 ZINC000886539150 592252593 /nfs/dbraw/zinc/25/25/93/592252593.db2.gz VBMMFLDVFMNKTE-GFCCVEGCSA-N 0 1 245.326 2.580 20 0 BFADMN Cc1oncc1CN[C@H]1CCc2c1cccc2F ZINC000886923394 592396932 /nfs/dbraw/zinc/39/69/32/592396932.db2.gz ZYHGXBSZMMBRFI-AWEZNQCLSA-N 0 1 246.285 2.899 20 0 BFADMN Cc1ccc(CN(C)CCCF)nc1Cl ZINC000887142703 592459614 /nfs/dbraw/zinc/45/96/14/592459614.db2.gz XBVDVGPISNVLGP-UHFFFAOYSA-N 0 1 230.714 2.835 20 0 BFADMN Cc1cnc([C@H](C)NC2(C3CC3)CCC2)o1 ZINC000887147199 592460949 /nfs/dbraw/zinc/46/09/49/592460949.db2.gz BQARLSCMEBUWDD-JTQLQIEISA-N 0 1 220.316 2.966 20 0 BFADMN c1nc(CNC2(C3CC3)CCC2)oc1C1CC1 ZINC000887147257 592461037 /nfs/dbraw/zinc/46/10/37/592461037.db2.gz FKQUJPYJOVYYNT-UHFFFAOYSA-N 0 1 232.327 2.974 20 0 BFADMN CC(C)(C)c1nnc(CNC2(C3CC3)CCC2)o1 ZINC000887143705 592461257 /nfs/dbraw/zinc/46/12/57/592461257.db2.gz MQBOOFGIAKAGCW-UHFFFAOYSA-N 0 1 249.358 2.789 20 0 BFADMN CCc1noc([C@@H](C)NC2(C3CC3)CCC2)n1 ZINC000887145068 592461387 /nfs/dbraw/zinc/46/13/87/592461387.db2.gz MHZINXASAZXELA-SECBINFHSA-N 0 1 235.331 2.615 20 0 BFADMN CC[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000082501679 601821239 /nfs/dbraw/zinc/82/12/39/601821239.db2.gz WOLNEPNAVAOOEY-JTQLQIEISA-N 0 1 239.340 2.821 20 0 BFADMN CC1=CC[C@H](NCc2nc(C(F)F)no2)CC1 ZINC000895726380 636174756 /nfs/dbraw/zinc/17/47/56/636174756.db2.gz XWIUDONGAHPDDZ-QMMMGPOBSA-N 0 1 243.257 2.596 20 0 BFADMN C[N@@H+](CCCCC(=O)[O-])CC1CCCCC1 ZINC000042493548 597764366 /nfs/dbraw/zinc/76/43/66/597764366.db2.gz KSPPSPOJPNNAKP-UHFFFAOYSA-N 0 1 227.348 2.753 20 0 BFADMN C/C(=C/C[N@@H+]1CCCC[C@H]1C(C)C)C(=O)[O-] ZINC000395887891 601167903 /nfs/dbraw/zinc/16/79/03/601167903.db2.gz FBWFEXQHLFNEAI-RDQDRAATSA-N 0 1 225.332 2.528 20 0 BFADMN CCC[N@H+](Cc1cc(C(=O)[O-])co1)CC(C)C ZINC000310375932 599848943 /nfs/dbraw/zinc/84/89/43/599848943.db2.gz ZMMCUGMXDMLGRV-UHFFFAOYSA-N 0 1 239.315 2.846 20 0 BFADMN CC[N@@H+](CCC(=O)[O-])C[C@H](C)c1ccccc1 ZINC000086754575 600260698 /nfs/dbraw/zinc/26/06/98/600260698.db2.gz RHHIVEFXFVJTKV-LBPRGKRZSA-N 0 1 235.327 2.587 20 0 BFADMN CCC(C)(C)[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000069440163 600394448 /nfs/dbraw/zinc/39/44/48/600394448.db2.gz GZHLWOYFGIZZSS-UHFFFAOYSA-N 0 1 239.315 2.907 20 0 BFADMN C[N@@H+](CC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC000045074553 600403190 /nfs/dbraw/zinc/40/31/90/600403190.db2.gz NGWSAJNDZONBEX-LBPRGKRZSA-N 0 1 235.327 2.790 20 0 BFADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227227256 600957048 /nfs/dbraw/zinc/95/70/48/600957048.db2.gz HNWLFYAKCPKOSK-GHMZBOCLSA-N 0 1 227.348 2.608 20 0 BFADMN O=C([O-])[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC000087474430 600985531 /nfs/dbraw/zinc/98/55/31/600985531.db2.gz JMPPHUQYWDJGII-GFCCVEGCSA-N 0 1 225.332 2.506 20 0 BFADMN C/C(=C\C[N@H+](C(C)C)C1CCCC1)C(=O)[O-] ZINC000825724874 601052983 /nfs/dbraw/zinc/05/29/83/601052983.db2.gz WPRWEFIWZHNESK-DHZHZOJOSA-N 0 1 225.332 2.670 20 0 BFADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccccc1 ZINC000088630406 601153366 /nfs/dbraw/zinc/15/33/66/601153366.db2.gz KJJVVSDBIMGKKJ-XFXZXTDPSA-N 0 1 233.311 2.539 20 0 BFADMN C/C(=C\C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000228040398 601155962 /nfs/dbraw/zinc/15/59/62/601155962.db2.gz RVSYZDOJNYFSGT-CKRBCLJCSA-N 0 1 225.332 2.528 20 0 BFADMN C/C(=C\C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000088630614 601158445 /nfs/dbraw/zinc/15/84/45/601158445.db2.gz PRIQODYRZLJCRY-RUNBWSAHSA-N 0 1 237.343 2.672 20 0 BFADMN CCC1CCC([N@@H+](C)C/C=C(\C)C(=O)[O-])CC1 ZINC000214733916 601158772 /nfs/dbraw/zinc/15/87/72/601158772.db2.gz LGPQMLJPLGEFMX-PKNBQFBNSA-N 0 1 239.359 2.918 20 0 BFADMN C/C(=C\C[N@@H+]1CCC[C@@H]1CC(C)C)C(=O)[O-] ZINC000396758654 601159757 /nfs/dbraw/zinc/15/97/57/601159757.db2.gz HGRNBJJSFPHOER-IGEMTJHASA-N 0 1 225.332 2.528 20 0 BFADMN CC[C@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])co1 ZINC000093251497 601181087 /nfs/dbraw/zinc/18/10/87/601181087.db2.gz RGCMFAUMGLVSIG-JTQLQIEISA-N 0 1 239.315 2.846 20 0 BFADMN O=C([O-])c1ccoc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000311164374 601424825 /nfs/dbraw/zinc/42/48/25/601424825.db2.gz NHDKOKHMOAHXRO-PHIMTYICSA-N 0 1 249.310 2.600 20 0 BFADMN O=C([O-])c1coc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000381313846 601424568 /nfs/dbraw/zinc/42/45/68/601424568.db2.gz QNCJMHZACILHEO-PHIMTYICSA-N 0 1 249.310 2.600 20 0 BFADMN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@H]1C ZINC000380612370 601565892 /nfs/dbraw/zinc/56/58/92/601565892.db2.gz AJQIXKCSGWNTKG-NTZNESFSSA-N 0 1 233.311 2.543 20 0 BFADMN C[C@H](C[N@H+]1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000227825433 601936229 /nfs/dbraw/zinc/93/62/29/601936229.db2.gz KCRVVFXBTXUEPX-DOMZBBRYSA-N 0 1 247.338 2.587 20 0 BFADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]1C ZINC000380630511 601961157 /nfs/dbraw/zinc/96/11/57/601961157.db2.gz JUNYOYQAXGFWSS-RKDXNWHRSA-N 0 1 239.340 2.677 20 0 BFADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1F ZINC000706768462 602206934 /nfs/dbraw/zinc/20/69/34/602206934.db2.gz VYEACMJPMSCALN-GXFFZTMASA-N 0 1 249.285 2.508 20 0 BFADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000706966215 602207023 /nfs/dbraw/zinc/20/70/23/602207023.db2.gz PADWOTWXELITAU-OPRDCNLKSA-N 0 1 235.283 2.523 20 0 BFADMN CC(C)CC[C@@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000236611779 602232702 /nfs/dbraw/zinc/23/27/02/602232702.db2.gz USELBPAVWWUFEE-LBPRGKRZSA-N 0 1 227.348 2.752 20 0 BFADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC2(CCC2)C1 ZINC000380374144 602239268 /nfs/dbraw/zinc/23/92/68/602239268.db2.gz YYEPUZIOPRNKMD-JTQLQIEISA-N 0 1 249.310 2.915 20 0 BFADMN CCCCCC[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000739333876 603408780 /nfs/dbraw/zinc/40/87/80/603408780.db2.gz ZANOFGDHHPVKLF-GFCCVEGCSA-N 0 1 242.363 2.546 20 0 BFADMN CCC(CC)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000083405874 604626669 /nfs/dbraw/zinc/62/66/69/604626669.db2.gz ODKSTJFBEOWXMB-UHFFFAOYSA-N 0 1 227.348 2.752 20 0 BFADMN CC(C)CC[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000127907984 604674172 /nfs/dbraw/zinc/67/41/72/604674172.db2.gz CAJSBKZKKGJDDW-GFCCVEGCSA-N 0 1 227.348 2.752 20 0 BFADMN CC[C@@H]1CCCCN1c1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000124161947 634393343 /nfs/dbraw/zinc/39/33/43/634393343.db2.gz PVFFQHXGNOOPBL-LLVKDONJSA-N 0 1 248.326 2.857 20 0 BFADMN CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299994121 634406884 /nfs/dbraw/zinc/40/68/84/634406884.db2.gz YPNWQROAJWDHPE-CYDGBPFRSA-N 0 1 239.359 2.608 20 0 BFADMN CCOCCN(C)Cc1cc(O)cc(Cl)c1 ZINC000893432569 634466461 /nfs/dbraw/zinc/46/64/61/634466461.db2.gz ZPEZTINXJUNCID-UHFFFAOYSA-N 0 1 243.734 2.514 20 0 BFADMN CCc1ncc(CN2CCC(C)(F)CC2)o1 ZINC000931505868 634527569 /nfs/dbraw/zinc/52/75/69/634527569.db2.gz ZENUUKZNICBSGN-UHFFFAOYSA-N 0 1 226.295 2.561 20 0 BFADMN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccn1 ZINC000335942950 634553971 /nfs/dbraw/zinc/55/39/71/634553971.db2.gz UAJKQTMQGKUXBF-MFKMUULPSA-N 0 1 242.326 2.533 20 0 BFADMN C[C@H]1SCCN(Cc2ccoc2)[C@H]1C ZINC000093501476 634559788 /nfs/dbraw/zinc/55/97/88/634559788.db2.gz GPYCUFAJNUKUIM-VHSXEESVSA-N 0 1 211.330 2.605 20 0 BFADMN Cc1[nH+]c(NC[C@@H](C)C2CC2)ccc1C(=O)[O-] ZINC000125648123 634611998 /nfs/dbraw/zinc/61/19/98/634611998.db2.gz QZXHAVBJWAJCAX-MRVPVSSYSA-N 0 1 234.299 2.546 20 0 BFADMN C[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccnn1C ZINC000235215791 635570633 /nfs/dbraw/zinc/57/06/33/635570633.db2.gz DAYBQLYNHFYGAK-GHMZBOCLSA-N 0 1 247.317 2.971 20 0 BFADMN C[C@@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000235234559 635574076 /nfs/dbraw/zinc/57/40/76/635574076.db2.gz JSDIHYPCOFICOA-LLVKDONJSA-N 0 1 248.326 2.544 20 0 BFADMN OCC[C@@H](NCc1ccco1)c1cccs1 ZINC000077459425 631322407 /nfs/dbraw/zinc/32/24/07/631322407.db2.gz RCPJLLALRDODRA-LLVKDONJSA-N 0 1 237.324 2.554 20 0 BFADMN 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KCUMRIQBBAHJAH-MRVPVSSYSA-N 0 1 226.270 2.590 20 0 BFADMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(F)ncc1F ZINC000294781463 385896102 /nfs/dbraw/zinc/89/61/02/385896102.db2.gz KCUMRIQBBAHJAH-QMMMGPOBSA-N 0 1 226.270 2.590 20 0 BFADMN C[C@@H](C1CC1)N(C)Cc1cc(F)ncc1F ZINC000294781463 385896107 /nfs/dbraw/zinc/89/61/07/385896107.db2.gz KCUMRIQBBAHJAH-QMMMGPOBSA-N 0 1 226.270 2.590 20 0 BFADMN CC(C)CCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000294814720 385899783 /nfs/dbraw/zinc/89/97/83/385899783.db2.gz CEKKBSVCZFFBAN-LBPRGKRZSA-N 0 1 249.358 2.730 20 0 BFADMN CN(C)c1ccnc(NC(=O)CCCC2CC2)c1 ZINC000643242529 385907612 /nfs/dbraw/zinc/90/76/12/385907612.db2.gz BLFMHNFABPYLEA-UHFFFAOYSA-N 0 1 247.342 2.666 20 0 BFADMN Cc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1 ZINC000294884456 385909066 /nfs/dbraw/zinc/90/90/66/385909066.db2.gz VWHBUDAHZKYIQU-UHFFFAOYSA-N 0 1 244.342 2.526 20 0 BFADMN C[N@@H+](Cc1sccc1Cl)CC(C)(C)CO ZINC000294905762 385914386 /nfs/dbraw/zinc/91/43/86/385914386.db2.gz XPDAEZHXIKDXSW-UHFFFAOYSA-N 0 1 247.791 2.852 20 0 BFADMN CN(Cc1sccc1Cl)CC(C)(C)CO ZINC000294905762 385914389 /nfs/dbraw/zinc/91/43/89/385914389.db2.gz XPDAEZHXIKDXSW-UHFFFAOYSA-N 0 1 247.791 2.852 20 0 BFADMN C[C@@]1(c2ccccc2)CC[N@@H+](CCCC(=O)[O-])C1 ZINC000342097538 385926689 /nfs/dbraw/zinc/92/66/89/385926689.db2.gz IBLXMCDKMPVEBR-OAHLLOKOSA-N 0 1 247.338 2.515 20 0 BFADMN Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)o1 ZINC000284295478 385862424 /nfs/dbraw/zinc/86/24/24/385862424.db2.gz BIFSTNKDMUSLKN-KBPBESRZSA-N 0 1 235.327 2.731 20 0 BFADMN CCC[C@H]1CCC[C@H]1C(=O)NCc1cn[nH]c1C ZINC000294547395 385864419 /nfs/dbraw/zinc/86/44/19/385864419.db2.gz YEBSITSIMTXYOW-WCQYABFASA-N 0 1 249.358 2.551 20 0 BFADMN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cn[nH]c1C ZINC000294547396 385864952 /nfs/dbraw/zinc/86/49/52/385864952.db2.gz YEBSITSIMTXYOW-YPMHNXCESA-N 0 1 249.358 2.551 20 0 BFADMN CC(C)[C@@H](O)CN(C)Cc1ccccc1Cl ZINC000284342970 385865044 /nfs/dbraw/zinc/86/50/44/385865044.db2.gz RIXHPTOWBHNPNZ-ZDUSSCGKSA-N 0 1 241.762 2.789 20 0 BFADMN CCOc1ccc(CNCc2ccns2)cc1 ZINC000404431270 385866478 /nfs/dbraw/zinc/86/64/78/385866478.db2.gz OPXJKSZBFSPCTC-UHFFFAOYSA-N 0 1 248.351 2.832 20 0 BFADMN C[C@@H](F)CCN[C@@H](C)c1nccs1 ZINC000308333880 385872309 /nfs/dbraw/zinc/87/23/09/385872309.db2.gz MMUPQLXTEAFSPS-SFYZADRCSA-N 0 1 202.298 2.542 20 0 BFADMN CS[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000295138190 385976580 /nfs/dbraw/zinc/97/65/80/385976580.db2.gz ZDFCCEHAWGFJPS-JTQLQIEISA-N 0 1 243.322 2.902 20 0 BFADMN Cc1nonc1CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000273274052 385984539 /nfs/dbraw/zinc/98/45/39/385984539.db2.gz KCZNBGNUSXTJMV-MNOVXSKESA-N 0 1 245.326 2.660 20 0 BFADMN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2nccs2)C1 ZINC000414136505 385985079 /nfs/dbraw/zinc/98/50/79/385985079.db2.gz FKZNBOJOMXDCNP-MXWKQRLJSA-N 0 1 240.372 2.750 20 0 BFADMN CC(C)C[C@H](N)c1noc(C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000414622499 385985468 /nfs/dbraw/zinc/98/54/68/385985468.db2.gz MVFNARMYRDZVPS-RHYQMDGZSA-N 0 1 249.358 2.704 20 0 BFADMN COCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451963115 385987745 /nfs/dbraw/zinc/98/77/45/385987745.db2.gz HBQXIBXFDCZTQX-ZDUSSCGKSA-N 0 1 241.281 2.748 20 0 BFADMN CC[C@H](C)CCc1nc(C2(N)CCCC2)no1 ZINC000414623950 385988492 /nfs/dbraw/zinc/98/84/92/385988492.db2.gz FVYKXHOBTWULSK-JTQLQIEISA-N 0 1 237.347 2.776 20 0 BFADMN Cc1noc([C@@H](C)N2CC[C@H](C3CCCC3)C2)n1 ZINC000643254524 385988756 /nfs/dbraw/zinc/98/87/56/385988756.db2.gz NQJGXTKHDBZCMJ-MFKMUULPSA-N 0 1 249.358 2.951 20 0 BFADMN C[C@@H]1c2cccn2CCN1CCCCF ZINC000286032270 385989555 /nfs/dbraw/zinc/98/95/55/385989555.db2.gz PYHTVOTVYQFWNP-LLVKDONJSA-N 0 1 210.296 2.614 20 0 BFADMN CCSCCNCc1cc(F)cnc1Cl ZINC000295199812 385991296 /nfs/dbraw/zinc/99/12/96/385991296.db2.gz YODYDBSNRGSSPS-UHFFFAOYSA-N 0 1 248.754 2.717 20 0 BFADMN COc1ncc(CNCc2ccsc2)s1 ZINC000309008019 385933443 /nfs/dbraw/zinc/93/34/43/385933443.db2.gz NUYWUZZSVNNYHR-UHFFFAOYSA-N 0 1 240.353 2.503 20 0 BFADMN Fc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000334531212 385938193 /nfs/dbraw/zinc/93/81/93/385938193.db2.gz MKONKKDHLDAOOP-NWDGAFQWSA-N 0 1 211.255 2.806 20 0 BFADMN CC(C)C[C@H](N)c1noc(C[C@@H]2C=CCC2)n1 ZINC000414609935 385939158 /nfs/dbraw/zinc/93/91/58/385939158.db2.gz ACRFFLPDWHOJOE-MNOVXSKESA-N 0 1 235.331 2.624 20 0 BFADMN CCC[C@@H](O)CN[C@@H](C)c1csc(CC)n1 ZINC000295010303 385939797 /nfs/dbraw/zinc/93/97/97/385939797.db2.gz PEKLEGMRTMHCEJ-VHSXEESVSA-N 0 1 242.388 2.517 20 0 BFADMN C[C@@H](CF)NCc1ccc(F)c2cccnc12 ZINC000342198796 385953975 /nfs/dbraw/zinc/95/39/75/385953975.db2.gz IUVGNEGMIXQOEK-VIFPVBQESA-N 0 1 236.265 2.822 20 0 BFADMN CSc1ccccc1CN(C)[C@@H]1CCOC1 ZINC000272952677 385953994 /nfs/dbraw/zinc/95/39/94/385953994.db2.gz VEQNNAOEOIVBRM-GFCCVEGCSA-N 0 1 237.368 2.629 20 0 BFADMN Cc1cc(C2CCN(C/C=C/Cl)CC2)n[nH]1 ZINC000273057868 385963601 /nfs/dbraw/zinc/96/36/01/385963601.db2.gz ZNELIMXVKCJAMN-GORDUTHDSA-N 0 1 239.750 2.650 20 0 BFADMN Cc1cc(C2CCN(C/C=C/Cl)CC2)[nH]n1 ZINC000273057868 385963607 /nfs/dbraw/zinc/96/36/07/385963607.db2.gz ZNELIMXVKCJAMN-GORDUTHDSA-N 0 1 239.750 2.650 20 0 BFADMN CN(Cc1cc[nH]n1)C[C@@H]1CCCC(F)(F)C1 ZINC000338312303 385964490 /nfs/dbraw/zinc/96/44/90/385964490.db2.gz GJAROJPNHXQQPN-SNVBAGLBSA-N 0 1 243.301 2.667 20 0 BFADMN CC[C@@H](CC(F)F)c1nc(C2(N)CCC2)no1 ZINC000414627787 385998400 /nfs/dbraw/zinc/99/84/00/385998400.db2.gz MROCDTFPPPWFQY-ZETCQYMHSA-N 0 1 245.273 2.556 20 0 BFADMN CC[C@H](F)CN[C@H](COC)c1ccccc1 ZINC000336749794 385998581 /nfs/dbraw/zinc/99/85/81/385998581.db2.gz ZBOLAFLNPLVWEJ-QWHCGFSZSA-N 0 1 225.307 2.712 20 0 BFADMN CC[C@@H]1C[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414628590 386000916 /nfs/dbraw/zinc/00/09/16/386000916.db2.gz SMVLARIKEIWMQU-OPRDCNLKSA-N 0 1 223.320 2.629 20 0 BFADMN CC/C=C/CCN1CCC[C@H]1c1nc(C)no1 ZINC000286267347 386017866 /nfs/dbraw/zinc/01/78/66/386017866.db2.gz VFGKAAZUCBBETP-ITKZLYELSA-N 0 1 235.331 2.871 20 0 BFADMN COc1cnccc1[C@H](C)NCc1ccccc1 ZINC000189572890 386020502 /nfs/dbraw/zinc/02/05/02/386020502.db2.gz KIBBHAVXJZREDD-LBPRGKRZSA-N 0 1 242.322 2.941 20 0 BFADMN Cc1sccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000295385181 386023297 /nfs/dbraw/zinc/02/32/97/386023297.db2.gz PKHCFTZVDMGOSU-CHWSQXEVSA-N 0 1 237.368 2.810 20 0 BFADMN C[C@H]1CCCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000335060434 386023545 /nfs/dbraw/zinc/02/35/45/386023545.db2.gz QAPQREQEFBCXNO-UWVGGRQHSA-N 0 1 235.331 2.701 20 0 BFADMN C[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)C1 ZINC000334431972 386034558 /nfs/dbraw/zinc/03/45/58/386034558.db2.gz WOGXSTRSGKLGGT-VIFPVBQESA-N 0 1 244.260 2.942 20 0 BFADMN COC(=O)C(C)(C)CCN1Cc2ccccc2C1 ZINC000338547140 386042436 /nfs/dbraw/zinc/04/24/36/386042436.db2.gz LUGMNHAAHXNDGG-UHFFFAOYSA-N 0 1 247.338 2.592 20 0 BFADMN CC(C)C[C@@H](C)c1nc(C2(N)CCC2)no1 ZINC000414642094 386042936 /nfs/dbraw/zinc/04/29/36/386042936.db2.gz JFYMWGOYBUTZPR-SECBINFHSA-N 0 1 223.320 2.557 20 0 BFADMN CC[C@H](NC1(C(F)F)CC1)[C@H]1C[C@@H]1C ZINC000414157554 386042939 /nfs/dbraw/zinc/04/29/39/386042939.db2.gz WLSLHTLFHUYCLI-CIUDSAMLSA-N 0 1 203.276 2.808 20 0 BFADMN Cc1cnccc1CN(C)[C@H](C)c1cccnc1 ZINC000295499468 386043572 /nfs/dbraw/zinc/04/35/72/386043572.db2.gz TXDPLDUATMKCQC-CYBMUJFWSA-N 0 1 241.338 2.978 20 0 BFADMN c1nc2cc(-c3noc(CC4CC4)n3)ccc2[nH]1 ZINC000273897370 386047504 /nfs/dbraw/zinc/04/75/04/386047504.db2.gz LXXZBVHOTWDMPZ-UHFFFAOYSA-N 0 1 240.266 2.565 20 0 BFADMN c1n[nH]nc1SCc1cnc2ccccc2c1 ZINC000338553786 386049557 /nfs/dbraw/zinc/04/95/57/386049557.db2.gz AJKABNVQMRJLJK-UHFFFAOYSA-N 0 1 242.307 2.645 20 0 BFADMN CO[C@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000338565347 386053088 /nfs/dbraw/zinc/05/30/88/386053088.db2.gz XGPYHQLWLYRIOY-KGLIPLIRSA-N 0 1 237.318 2.808 20 0 BFADMN CO[C@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000338565350 386054225 /nfs/dbraw/zinc/05/42/25/386054225.db2.gz XGPYHQLWLYRIOY-ZIAGYGMSSA-N 0 1 237.318 2.808 20 0 BFADMN CC[C@H](NCc1nc(C(F)F)no1)C(C)(C)C ZINC000425459087 386100720 /nfs/dbraw/zinc/10/07/20/386100720.db2.gz NZVPWLUQWYEWDJ-ZETCQYMHSA-N 0 1 247.289 2.922 20 0 BFADMN CCc1ncc(CNCc2sccc2C)cn1 ZINC000414292217 386101587 /nfs/dbraw/zinc/10/15/87/386101587.db2.gz AKRPUKHANRLZKO-UHFFFAOYSA-N 0 1 247.367 2.699 20 0 BFADMN COC1([C@@H](C)N[C@@H](C)c2nccs2)CCC1 ZINC000414298983 386105487 /nfs/dbraw/zinc/10/54/87/386105487.db2.gz HQJJFLRVJVXDNS-VHSXEESVSA-N 0 1 240.372 2.751 20 0 BFADMN CCn1ccnc1NCc1ccc(OC)c(F)c1 ZINC000414298609 386106172 /nfs/dbraw/zinc/10/61/72/386106172.db2.gz JLYIVHZGZCTYTG-UHFFFAOYSA-N 0 1 249.289 2.663 20 0 BFADMN Cc1occc1CNc1cc2c(cn1)CCCC2 ZINC000414313957 386116690 /nfs/dbraw/zinc/11/66/90/386116690.db2.gz ZDAOBAYAXNABRU-UHFFFAOYSA-N 0 1 242.322 2.896 20 0 BFADMN C(NC1CCCCC1)c1nnc(C2CC2)s1 ZINC000414320753 386120634 /nfs/dbraw/zinc/12/06/34/386120634.db2.gz CLTOFUQYDDVYLS-UHFFFAOYSA-N 0 1 237.372 2.838 20 0 BFADMN CCOC[C@H](N[C@H](C)c1cc(C)on1)C(C)C ZINC000340508417 386060583 /nfs/dbraw/zinc/06/05/83/386060583.db2.gz UKENDEUEDQQODX-YPMHNXCESA-N 0 1 240.347 2.695 20 0 BFADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1csc(C)n1 ZINC000414208096 386061871 /nfs/dbraw/zinc/06/18/71/386061871.db2.gz LCYLEVVSGSJARE-XRNSZHNASA-N 0 1 240.372 2.670 20 0 BFADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccoc1 ZINC000335949363 386062197 /nfs/dbraw/zinc/06/21/97/386062197.db2.gz WIKCVPLKBHPVKU-UHFFFAOYSA-N 0 1 241.197 2.501 20 0 BFADMN CC1(C)CN(Cc2cnns2)[C@H]2CCC[C@@H]21 ZINC000334462682 386122149 /nfs/dbraw/zinc/12/21/49/386122149.db2.gz YANULSQGQPGKCE-QWRGUYRKSA-N 0 1 237.372 2.549 20 0 BFADMN Cc1cc(C)c(CN2CCOCC23CC3)c(C)c1 ZINC000338597597 386068898 /nfs/dbraw/zinc/06/88/98/386068898.db2.gz JBAMBRWSGLFJPE-UHFFFAOYSA-N 0 1 245.366 2.977 20 0 BFADMN CCc1cccc(F)c1CN1CC[C@H]1COC ZINC000354058445 386075554 /nfs/dbraw/zinc/07/55/54/386075554.db2.gz HRLCNZRLIDPBOF-LBPRGKRZSA-N 0 1 237.318 2.609 20 0 BFADMN Cc1cc([C@H](C)N[C@H]2CS[C@@H](C)C2)no1 ZINC000414233673 386080264 /nfs/dbraw/zinc/08/02/64/386080264.db2.gz RPRCSVXGLQXBJH-LPEHRKFASA-N 0 1 226.345 2.528 20 0 BFADMN CCn1ccnc1NCc1ccc(Cl)o1 ZINC000414302224 386080683 /nfs/dbraw/zinc/08/06/83/386080683.db2.gz 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389023553 /nfs/dbraw/zinc/02/35/53/389023553.db2.gz UVMHWLPVJNODHV-NSHDSACASA-N 0 1 249.310 2.779 20 0 BFADMN C[C@H](NCCF)c1ccc(F)c(F)c1 ZINC000271706932 389023615 /nfs/dbraw/zinc/02/36/15/389023615.db2.gz ULWKLPPEGVIFAQ-ZETCQYMHSA-N 0 1 203.207 2.585 20 0 BFADMN CCN(CC(=O)c1cccn1C)[C@@H](C)C(C)C ZINC000120265092 169730301 /nfs/dbraw/zinc/73/03/01/169730301.db2.gz VRFYRYXMIYIGRZ-LBPRGKRZSA-N 0 1 236.359 2.574 20 0 BFADMN COc1cccc(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC000488188871 533475320 /nfs/dbraw/zinc/47/53/20/533475320.db2.gz YSFSRXZCYLQOSK-LBPRGKRZSA-N 0 1 249.354 2.695 20 0 BFADMN CCN1CCC[C@H](Oc2cnccc2Cl)C1 ZINC001226294069 974847239 /nfs/dbraw/zinc/84/72/39/974847239.db2.gz PQPWKQNEHYSQTM-JTQLQIEISA-N 0 1 240.734 2.598 20 0 BFADMN Cc1nc([C@H](C)N2CCCc3ccccc32)n[nH]1 ZINC000336279715 132246493 /nfs/dbraw/zinc/24/64/93/132246493.db2.gz OPLAEEPQLMPHNZ-JTQLQIEISA-N 0 1 242.326 2.627 20 0 BFADMN Cc1cccn2c(CN3[C@H](C)C[C@H]3C)cnc12 ZINC000335760523 133895171 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ZINC000307210540 177082612 /nfs/dbraw/zinc/08/26/12/177082612.db2.gz RBLCFEMYNZPKLK-IUCAKERBSA-N 0 1 203.276 2.952 20 0 BFADMN C[C@H]1CCCC[C@H]1CN(C)Cc1ccon1 ZINC000346165670 177085515 /nfs/dbraw/zinc/08/55/15/177085515.db2.gz IMKDIEHYDOPKHI-RYUDHWBXSA-N 0 1 222.332 2.933 20 0 BFADMN C[C@H]1CCCC[C@H]1OCCNCc1ccccn1 ZINC000048329481 177089752 /nfs/dbraw/zinc/08/97/52/177089752.db2.gz KNNPBDJYUGLGPU-DZGCQCFKSA-N 0 1 248.370 2.767 20 0 BFADMN C[C@H]1CCC[N@@H+](CC2CCCCC2)[C@@H]1C(=O)[O-] ZINC000235649364 177098780 /nfs/dbraw/zinc/09/87/80/177098780.db2.gz YCHMBVSTQNAUNC-AAEUAGOBSA-N 0 1 239.359 2.752 20 0 BFADMN C[C@H]1CCCN(Cc2cc(F)ncc2F)CC1 ZINC000294748673 177099680 /nfs/dbraw/zinc/09/96/80/177099680.db2.gz IBEYIWMWRFXVKT-JTQLQIEISA-N 0 1 240.297 2.982 20 0 BFADMN C[C@H]1CCCN1Cc1cn2cc(Cl)ccc2n1 ZINC000173982528 177110052 /nfs/dbraw/zinc/11/00/52/177110052.db2.gz YFYGNOLITLCJSW-JTQLQIEISA-N 0 1 249.745 2.972 20 0 BFADMN C[C@H]1CCC[C@@H]([N@@H+](C)CCCCC(=O)[O-])C1 ZINC000042493581 177120844 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CS[C@H]1CC[C@@H]1NCc1cc(C(C)C)no1 ZINC000591836533 347703791 /nfs/dbraw/zinc/70/37/91/347703791.db2.gz KWJMZYKDHLIVME-JQWIXIFHSA-N 0 1 240.372 2.782 20 0 BFADMN COCC[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000592330853 347767726 /nfs/dbraw/zinc/76/77/26/347767726.db2.gz NBIMWGFLOVMUCY-CQSZACIVSA-N 0 1 249.354 2.869 20 0 BFADMN Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000076117768 179302386 /nfs/dbraw/zinc/30/23/86/179302386.db2.gz IWODUKQMVBBHGP-QWHCGFSZSA-N 0 1 246.354 2.806 20 0 BFADMN Cc1ccccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000184164600 179302896 /nfs/dbraw/zinc/30/28/96/179302896.db2.gz HXAXLDRVMKLBLW-UHFFFAOYSA-N 0 1 241.294 2.848 20 0 BFADMN Cc1ccccc1NC(=O)CN(C)CC(C)(C)C ZINC000263795899 179299407 /nfs/dbraw/zinc/29/94/07/179299407.db2.gz OVDZGVBRAFYYLM-UHFFFAOYSA-N 0 1 248.370 2.911 20 0 BFADMN Cc1ccccc1[C@@H](C)N(C)Cc1cnccn1 ZINC000178489639 179318807 /nfs/dbraw/zinc/31/88/07/179318807.db2.gz SIQSYKXTHQDPON-CYBMUJFWSA-N 0 1 241.338 2.978 20 0 BFADMN CCCCNCc1nc(C(C)(C)C)co1 ZINC000669381161 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249.358 2.530 20 0 BFADMN CO[C@H](C)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000293521094 388389887 /nfs/dbraw/zinc/38/98/87/388389887.db2.gz IPKZAFBFBXKLPF-SECBINFHSA-N 0 1 243.734 2.560 20 0 BFADMN CCC[C@H](CN[C@@H](C)c1nccs1)OC ZINC000293550352 388389973 /nfs/dbraw/zinc/38/99/73/388389973.db2.gz BOPWEZDHEILUKY-VHSXEESVSA-N 0 1 228.361 2.609 20 0 BFADMN COCC[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293568950 388390506 /nfs/dbraw/zinc/39/05/06/388390506.db2.gz MUDBUHRNSGOWNS-VIFPVBQESA-N 0 1 243.734 2.560 20 0 BFADMN CC[C@@H]1CCC[C@H]1NCc1nc(C2CC2)no1 ZINC000516615723 388394228 /nfs/dbraw/zinc/39/42/28/388394228.db2.gz GREGLWUKKJOSNH-MWLCHTKSSA-N 0 1 235.331 2.615 20 0 BFADMN C[C@H](CCc1ccccc1)NCc1cocn1 ZINC000237513617 388396056 /nfs/dbraw/zinc/39/60/56/388396056.db2.gz PRIUXGUNAKYCFA-GFCCVEGCSA-N 0 1 230.311 2.786 20 0 BFADMN C[C@@H](CF)NCc1cccc(OC(F)F)c1 ZINC000288483130 388403899 /nfs/dbraw/zinc/40/38/99/388403899.db2.gz QCCIMVGRHILHFY-QMMMGPOBSA-N 0 1 233.233 2.736 20 0 BFADMN CC[C@@](C)(CNCc1ncc(Cl)s1)OC ZINC000322594906 388439971 /nfs/dbraw/zinc/43/99/71/388439971.db2.gz HBBBRJGYEMXHKS-JTQLQIEISA-N 0 1 248.779 2.701 20 0 BFADMN COCc1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000290195404 388440240 /nfs/dbraw/zinc/44/02/40/388440240.db2.gz TZYAMGHASJSJLC-JTQLQIEISA-N 0 1 240.372 2.568 20 0 BFADMN CC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000034742397 388480364 /nfs/dbraw/zinc/48/03/64/388480364.db2.gz LRAMXGCTXIKUAM-UHFFFAOYSA-N 0 1 225.719 2.754 20 0 BFADMN Fc1cccc2c1OCC[C@H]2NCC1(F)CC1 ZINC000527282515 388458513 /nfs/dbraw/zinc/45/85/13/388458513.db2.gz ZXXYYQQCEPNDKG-LLVKDONJSA-N 0 1 239.265 2.741 20 0 BFADMN C[C@H](NC1(C(F)F)CC1)C1CCSCC1 ZINC000336674175 388461538 /nfs/dbraw/zinc/46/15/38/388461538.db2.gz ACZIZMUDOCMQNP-QMMMGPOBSA-N 0 1 235.343 2.905 20 0 BFADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1nccs1 ZINC000309954031 388469473 /nfs/dbraw/zinc/46/94/73/388469473.db2.gz HMHKMNVTAOBYQN-GMTAPVOTSA-N 0 1 240.372 2.751 20 0 BFADMN CC(C)C[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000524791687 388409947 /nfs/dbraw/zinc/40/99/47/388409947.db2.gz CDVJLFWHDGJITD-NSHDSACASA-N 0 1 249.358 2.815 20 0 BFADMN CC[C@H](C)[C@H]1CCCCN1Cc1nc(C)no1 ZINC000525328538 388425506 /nfs/dbraw/zinc/42/55/06/388425506.db2.gz FDQQMHMYWZPFRW-CMPLNLGQSA-N 0 1 237.347 2.779 20 0 BFADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(C)no1 ZINC000525328541 388426568 /nfs/dbraw/zinc/42/65/68/388426568.db2.gz FDQQMHMYWZPFRW-PWSUYJOCSA-N 0 1 237.347 2.779 20 0 BFADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000573167185 388427625 /nfs/dbraw/zinc/42/76/25/388427625.db2.gz ZIJDUCQKLDKJQH-VXGBXAGGSA-N 0 1 234.343 2.798 20 0 BFADMN Cc1cc([C@H](C)[N@H+](C)CC(C)C)oc1C(=O)[O-] ZINC000573213905 388432530 /nfs/dbraw/zinc/43/25/30/388432530.db2.gz WNMQMHMIGURVAQ-JTQLQIEISA-N 0 1 239.315 2.935 20 0 BFADMN Cc1nc2cc(NC[C@@H]3C[C@H]3C)ccc2n1C ZINC000573273383 388438260 /nfs/dbraw/zinc/43/82/60/388438260.db2.gz BMPILRTVNWVIAP-KOLCDFICSA-N 0 1 229.327 2.950 20 0 BFADMN CN(CCOc1ccccc1F)CC1(F)CC1 ZINC000525976815 388439083 /nfs/dbraw/zinc/43/90/83/388439083.db2.gz NWUUOQGFSDYDDE-UHFFFAOYSA-N 0 1 241.281 2.638 20 0 BFADMN CC[C@H](CC(F)(F)F)NCc1conc1C ZINC000339349117 388482925 /nfs/dbraw/zinc/48/29/25/388482925.db2.gz MOLIHCMMXYXFST-SECBINFHSA-N 0 1 236.237 2.804 20 0 BFADMN CC(C)c1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)n[nH]1 ZINC000135234843 388485594 /nfs/dbraw/zinc/48/55/94/388485594.db2.gz JRBGYSFKJSFOLA-UWVGGRQHSA-N 0 1 235.331 2.546 20 0 BFADMN c1cncc(-c2n[nH]c(SCCC3CC3)n2)c1 ZINC000547821361 388488337 /nfs/dbraw/zinc/48/83/37/388488337.db2.gz PXZUXISHVLZPFZ-UHFFFAOYSA-N 0 1 246.339 2.759 20 0 BFADMN Cc1ccnc(NC[C@H]2CCC[C@@H](CO)C2)c1 ZINC000340981644 388493501 /nfs/dbraw/zinc/49/35/01/388493501.db2.gz ZVBQHYHIMJDJSR-QWHCGFSZSA-N 0 1 234.343 2.601 20 0 BFADMN CC[C@@]1(C)CN(CCOc2ccccc2)CCO1 ZINC000135618156 388502468 /nfs/dbraw/zinc/50/24/68/388502468.db2.gz IRFQOXYTJLXHOS-HNNXBMFYSA-N 0 1 249.354 2.566 20 0 BFADMN CC[C@@]1(C)CN(Cc2cccc(C)c2)CCO1 ZINC000135661532 388503927 /nfs/dbraw/zinc/50/39/27/388503927.db2.gz CDEQQYREILONOF-HNNXBMFYSA-N 0 1 233.355 2.996 20 0 BFADMN CC[C@]1(C)CN(Cc2cccc(C)c2)CCO1 ZINC000135661496 388504409 /nfs/dbraw/zinc/50/44/09/388504409.db2.gz CDEQQYREILONOF-OAHLLOKOSA-N 0 1 233.355 2.996 20 0 BFADMN C[C@H](CCC(F)(F)F)NCC(C)(F)F ZINC000378794245 388504564 /nfs/dbraw/zinc/50/45/64/388504564.db2.gz PCLLFKJSHKQQAH-ZCFIWIBFSA-N 0 1 219.197 2.962 20 0 BFADMN Cc1nc([C@H](C)N[C@H]2CS[C@@H](C)C2)cs1 ZINC000397831358 388504671 /nfs/dbraw/zinc/50/46/71/388504671.db2.gz YSYFMVCIBWOQKQ-OYNCUSHFSA-N 0 1 242.413 2.996 20 0 BFADMN CC[C@@]1(C)CCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000344254230 388505864 /nfs/dbraw/zinc/50/58/64/388505864.db2.gz RQNXCQLODAWUIQ-RISCZKNCSA-N 0 1 241.375 2.839 20 0 BFADMN CCC[C@@H](CNCc1nc(C)c(C)s1)OC ZINC000378815889 388511312 /nfs/dbraw/zinc/51/13/12/388511312.db2.gz JZDNOKPFHHYGHY-NSHDSACASA-N 0 1 242.388 2.665 20 0 BFADMN CC[C@H](CO)N(C)Cc1cc(F)ccc1Cl ZINC000345844435 388515231 /nfs/dbraw/zinc/51/52/31/388515231.db2.gz VIJITFGKOOXELN-LLVKDONJSA-N 0 1 245.725 2.682 20 0 BFADMN C[C@H]1C[C@H](C)N(Cc2ncccc2Cl)C1 ZINC000528388866 388519852 /nfs/dbraw/zinc/51/98/52/388519852.db2.gz RDMHLHWGWPAWIV-UWVGGRQHSA-N 0 1 224.735 2.965 20 0 BFADMN CC[C@H](C)N(C)Cc1ncccc1Cl ZINC000528419346 388522731 /nfs/dbraw/zinc/52/27/31/388522731.db2.gz ZLTCVEZQHDIHFV-VIFPVBQESA-N 0 1 212.724 2.965 20 0 BFADMN C/C(Cl)=C/CN[C@H](C)c1cccnc1 ZINC000528434191 388525555 /nfs/dbraw/zinc/52/55/55/388525555.db2.gz URZXNNOAUXXLDR-HYHWUIIZSA-N 0 1 210.708 2.875 20 0 BFADMN C/C(Cl)=C\CN1CCOCC2(CCC2)C1 ZINC000528453089 388528662 /nfs/dbraw/zinc/52/86/62/388528662.db2.gz YQKFXGOZTVFYFX-QDEBKDIKSA-N 0 1 229.751 2.632 20 0 BFADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC1CCCC1 ZINC000517035785 388534555 /nfs/dbraw/zinc/53/45/55/388534555.db2.gz PXVRFHKZWPFJAA-WCQYABFASA-N 0 1 239.359 2.752 20 0 BFADMN Cc1nsc(C)c1CN1[C@@H](C)C[C@@H]1C ZINC000517038369 388534635 /nfs/dbraw/zinc/53/46/35/388534635.db2.gz ZGYJORZDYUYQRG-YUMQZZPRSA-N 0 1 210.346 2.743 20 0 BFADMN COC(=O)Cc1ccc(Nc2ccncc2)cc1 ZINC000082716448 388587867 /nfs/dbraw/zinc/58/78/67/388587867.db2.gz IBAOBUFPIWZIIY-UHFFFAOYSA-N 0 1 242.278 2.541 20 0 BFADMN CC/C=C/CCSc1nnc(CC)[nH]1 ZINC000185627542 388589460 /nfs/dbraw/zinc/58/94/60/388589460.db2.gz ROPGNLYPRLIDEK-AATRIKPKSA-N 0 1 211.334 2.816 20 0 BFADMN CC/C=C/CCSc1nc(CC)n[nH]1 ZINC000185627542 388589462 /nfs/dbraw/zinc/58/94/62/388589462.db2.gz ROPGNLYPRLIDEK-AATRIKPKSA-N 0 1 211.334 2.816 20 0 BFADMN Cc1csc(CNCc2snnc2C)c1 ZINC000379139374 388590656 /nfs/dbraw/zinc/59/06/56/388590656.db2.gz RWKFPTFTBUCVCA-UHFFFAOYSA-N 0 1 239.369 2.506 20 0 BFADMN C[C@@H](CN(C)C(=O)c1ccn[nH]1)C1CCCCC1 ZINC000530039953 388605840 /nfs/dbraw/zinc/60/58/40/388605840.db2.gz NDGCAAOQOGITGV-NSHDSACASA-N 0 1 249.358 2.698 20 0 BFADMN CC(C)n1ccc(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000245878204 388608397 /nfs/dbraw/zinc/60/83/97/388608397.db2.gz HUTXLWJSFYQAHQ-QWHCGFSZSA-N 0 1 235.375 2.942 20 0 BFADMN Cc1ncc(CN2CCC(CCF)CC2)o1 ZINC000630073074 388614453 /nfs/dbraw/zinc/61/44/53/388614453.db2.gz QIPHVDQWIBKBLO-UHFFFAOYSA-N 0 1 226.295 2.555 20 0 BFADMN Cc1noc(C23CC(C2)CN3CCC(C)(C)C)n1 ZINC000528615830 388552799 /nfs/dbraw/zinc/55/27/99/388552799.db2.gz HJYZHSJHEHNLPH-UHFFFAOYSA-N 0 1 249.358 2.735 20 0 BFADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000136950180 388552982 /nfs/dbraw/zinc/55/29/82/388552982.db2.gz KKNZCCMYWDTHAA-GXSJLCMTSA-N 0 1 249.358 2.760 20 0 BFADMN CCOC[C@H]1CN(CCCC(C)(C)C)CCO1 ZINC000528725869 388560224 /nfs/dbraw/zinc/56/02/24/388560224.db2.gz VRYOHAIFHHMPPH-CYBMUJFWSA-N 0 1 243.391 2.550 20 0 BFADMN c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc2[nH]nnc12 ZINC000548881719 388567651 /nfs/dbraw/zinc/56/76/51/388567651.db2.gz WLGPRUFEWFZOPH-JMJZKYOTSA-N 0 1 228.299 2.558 20 0 BFADMN c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc2n[nH]nc12 ZINC000548881719 388567653 /nfs/dbraw/zinc/56/76/53/388567653.db2.gz WLGPRUFEWFZOPH-JMJZKYOTSA-N 0 1 228.299 2.558 20 0 BFADMN Cc1noc(C)c1CN1CCC(F)(F)C[C@H]1C ZINC000528767034 388570507 /nfs/dbraw/zinc/57/05/07/388570507.db2.gz KOVQEFRALLKULE-MRVPVSSYSA-N 0 1 244.285 2.911 20 0 BFADMN CC/C=C/CCN1CCCC[C@H]1C(=O)OCC ZINC000184430045 388578229 /nfs/dbraw/zinc/57/82/29/388578229.db2.gz FYZJFJWBAPCJDS-GFUIURDCSA-N 0 1 239.359 2.760 20 0 BFADMN Cc1noc([C@H](C)N[C@H]2CC[C@@H]2C2CCC2)n1 ZINC000549407207 388578938 /nfs/dbraw/zinc/57/89/38/388578938.db2.gz FEXKOYCVAUXYFF-AXTRIDKLSA-N 0 1 235.331 2.607 20 0 BFADMN CCCCC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185236780 388586076 /nfs/dbraw/zinc/58/60/76/388586076.db2.gz OKZSEKPIBDIXGI-MRXNPFEDSA-N 0 1 245.432 2.800 20 0 BFADMN CCCCCN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185236780 388586078 /nfs/dbraw/zinc/58/60/78/388586078.db2.gz OKZSEKPIBDIXGI-MRXNPFEDSA-N 0 1 245.432 2.800 20 0 BFADMN CC[C@H]1CCCCC[N@H+]1CCCCC(=O)[O-] ZINC000125244753 388668940 /nfs/dbraw/zinc/66/89/40/388668940.db2.gz JBFQMNUDMVNLCP-LBPRGKRZSA-N 0 1 227.348 2.896 20 0 BFADMN c1cc(CNc2ccc3nn[nH]c3c2)cs1 ZINC000125147038 388669204 /nfs/dbraw/zinc/66/92/04/388669204.db2.gz XYYDGOVVJHIFTE-UHFFFAOYSA-N 0 1 230.296 2.632 20 0 BFADMN c1cc(CNc2ccc3n[nH]nc3c2)cs1 ZINC000125147038 388669207 /nfs/dbraw/zinc/66/92/07/388669207.db2.gz XYYDGOVVJHIFTE-UHFFFAOYSA-N 0 1 230.296 2.632 20 0 BFADMN CCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000125495240 388671557 /nfs/dbraw/zinc/67/15/57/388671557.db2.gz JVUBGNYAQGLWCU-ZDUSSCGKSA-N 0 1 229.327 2.889 20 0 BFADMN CC(C)[C@H]1CCCC[C@@H]1NCc1csnn1 ZINC000126022409 388686315 /nfs/dbraw/zinc/68/63/15/388686315.db2.gz RLRNBVDXZKJUEH-NEPJUHHUSA-N 0 1 239.388 2.843 20 0 BFADMN C[C@@H]1CN(Cc2csnn2)[C@@H]2CCCC[C@H]21 ZINC000248375690 388677270 /nfs/dbraw/zinc/67/72/70/388677270.db2.gz XQYKFLNOQLLDNI-ADEWGFFLSA-N 0 1 237.372 2.549 20 0 BFADMN CCO[C@@H]1C[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000522058912 388677415 /nfs/dbraw/zinc/67/74/15/388677415.db2.gz XDRXQCMIOLADKV-TZMCWYRMSA-N 0 1 249.285 2.839 20 0 BFADMN CCO[C@H]1C[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000522058911 388677549 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/nfs/dbraw/zinc/88/19/15/991881915.db2.gz VLZJYBKBOODYRR-TZMCWYRMSA-N 0 1 249.354 2.501 20 0 BFADMN C[N@@H+](C[C@@H]1CCc2ccccc21)C(C)(C)C(=O)[O-] ZINC001598466530 991971412 /nfs/dbraw/zinc/97/14/12/991971412.db2.gz BTTFNULGWKVEIL-LBPRGKRZSA-N 0 1 247.338 2.511 20 0 BFADMN C[N@@H+](CCCC(=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598475142 992069930 /nfs/dbraw/zinc/06/99/30/992069930.db2.gz GTVDHMQSNRXCTI-VXGBXAGGSA-N 0 1 241.375 2.998 20 0 BFADMN Cc1cc(CNc2cccc3cccnc32)n[nH]1 ZINC001320065132 992093037 /nfs/dbraw/zinc/09/30/37/992093037.db2.gz BQMBJICZQUPUGL-UHFFFAOYSA-N 0 1 238.294 2.878 20 0 BFADMN CCCc1cc(C(=O)N2CC[C@H](CC)[C@H]2C)n[nH]1 ZINC001567816430 992100388 /nfs/dbraw/zinc/10/03/88/992100388.db2.gz ACXWPMXCAIMGTK-MNOVXSKESA-N 0 1 249.358 2.623 20 0 BFADMN Cc1cc(CN2CCCc3c(F)cccc32)n[nH]1 ZINC001320199933 992129100 /nfs/dbraw/zinc/12/91/00/992129100.db2.gz JVPYGQVHMPUSSU-UHFFFAOYSA-N 0 1 245.301 2.810 20 0 BFADMN Fc1ccc(CCN2CC=CCC2)c(F)c1 ZINC001320305553 992162476 /nfs/dbraw/zinc/16/24/76/992162476.db2.gz YCSHVJKPWFWYSC-UHFFFAOYSA-N 0 1 223.266 2.769 20 0 BFADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@H](C)C2)[nH]1 ZINC001320431483 992202863 /nfs/dbraw/zinc/20/28/63/992202863.db2.gz MGGNICAJRURELK-WDEREUQCSA-N 0 1 249.358 2.651 20 0 BFADMN CC(C)c1ncc(C(=O)N(C)C2CC(C)(C)C2)[nH]1 ZINC001261362666 992272178 /nfs/dbraw/zinc/27/21/78/992272178.db2.gz HGPHYOKREJHWLA-UHFFFAOYSA-N 0 1 249.358 2.794 20 0 BFADMN CC(C)c1ncc(C(=O)N2CCCC(C)(C)C2)[nH]1 ZINC001320755271 992346211 /nfs/dbraw/zinc/34/62/11/992346211.db2.gz LLMIXMIZUQTKDW-UHFFFAOYSA-N 0 1 249.358 2.795 20 0 BFADMN C[N@@H+](CCSC(C)(C)C)C(C)(C)CC(=O)[O-] ZINC001598500775 992434216 /nfs/dbraw/zinc/43/42/16/992434216.db2.gz XWERNXHDXWMRSP-UHFFFAOYSA-N 0 1 247.404 2.703 20 0 BFADMN CCN(CC1CCC1)C(=O)c1cnc(C(C)C)[nH]1 ZINC001321100271 992458662 /nfs/dbraw/zinc/45/86/62/992458662.db2.gz KUJXMMJAXOROSN-UHFFFAOYSA-N 0 1 249.358 2.795 20 0 BFADMN Cc1nnc(SCCc2ccccc2F)[nH]1 ZINC001321149538 992469345 /nfs/dbraw/zinc/46/93/45/992469345.db2.gz PXTARQBTFXQWAI-UHFFFAOYSA-N 0 1 237.303 2.587 20 0 BFADMN CC[C@H](NCc1nnc[nH]1)c1cc(C)ccc1C ZINC001261810752 992516770 /nfs/dbraw/zinc/51/67/70/992516770.db2.gz LWBWAZBXYAAIKE-ZDUSSCGKSA-N 0 1 244.342 2.662 20 0 BFADMN CCCCC1=NN(Cc2ccccn2)C(=O)[C@H]1C ZINC001261890342 992562053 /nfs/dbraw/zinc/56/20/53/992562053.db2.gz BHNGGTUFCHJKHX-NSHDSACASA-N 0 1 245.326 2.606 20 0 BFADMN CCCCc1[nH]n(Cc2ccccn2)c(=O)c1C ZINC001261890342 992562064 /nfs/dbraw/zinc/56/20/64/992562064.db2.gz BHNGGTUFCHJKHX-NSHDSACASA-N 0 1 245.326 2.606 20 0 BFADMN FC(F)(F)[C@@H]1CCC[C@H](CN2CC=CCC2)O1 ZINC001262240678 992816566 /nfs/dbraw/zinc/81/65/66/992816566.db2.gz GRHGPEAACVDSHU-MNOVXSKESA-N 0 1 249.276 2.748 20 0 BFADMN CCC[C@H]1CN(CCCC(C)(F)F)CCO1 ZINC001262236180 992816985 /nfs/dbraw/zinc/81/69/85/992816985.db2.gz YGKMVIQNIOEHGJ-NSHDSACASA-N 0 1 235.318 2.923 20 0 BFADMN C[C@@H](c1ncccn1)N1CCCC(C)(C)C1 ZINC001262249685 992821019 /nfs/dbraw/zinc/82/10/19/992821019.db2.gz CTZNPIACSNHAQY-NSHDSACASA-N 0 1 219.332 2.660 20 0 BFADMN CCC(C)=CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001262652335 993002262 /nfs/dbraw/zinc/00/22/62/993002262.db2.gz CYJLONIPBADBEF-BQYQJAHWSA-N 0 1 244.298 2.561 20 0 BFADMN Cc1cccnc1CN[C@@H]1CCCC[C@H]1F ZINC000378761709 993203081 /nfs/dbraw/zinc/20/30/81/993203081.db2.gz BEJFVKMZINLNPG-VXGBXAGGSA-N 0 1 222.307 2.760 20 0 BFADMN Cn1nc(CNC/C=C\C2CC2)c2ccccc21 ZINC000379240746 993232568 /nfs/dbraw/zinc/23/25/68/993232568.db2.gz WQGUCOQWLQZDKW-PLNGDYQASA-N 0 1 241.338 2.629 20 0 BFADMN CC1(C)CCN(Cc2c(F)ccc(N)c2F)C1 ZINC000380110608 993316616 /nfs/dbraw/zinc/31/66/16/993316616.db2.gz KOFASDKRTWFFNO-UHFFFAOYSA-N 0 1 240.297 2.779 20 0 BFADMN O=C([O-])c1ccccc1C[N@H+]1CCC2(CCC2)C1 ZINC000380372184 993327771 /nfs/dbraw/zinc/32/77/71/993327771.db2.gz BOPNIXBWDQEWNC-UHFFFAOYSA-N 0 1 245.322 2.761 20 0 BFADMN C[C@]1(CO)CCN(Cc2ccc(Cl)cc2)C1 ZINC000381422427 993393778 /nfs/dbraw/zinc/39/37/78/993393778.db2.gz AVATVFZTJGWZGZ-ZDUSSCGKSA-N 0 1 239.746 2.544 20 0 BFADMN Cc1nc[nH]c1C(=O)OC[C@@H](C)C(C)(C)C ZINC001263591293 993408326 /nfs/dbraw/zinc/40/83/26/993408326.db2.gz SNLHPEUDWHMCHB-MRVPVSSYSA-N 0 1 224.304 2.557 20 0 BFADMN COc1cc2nc(CC3CC3)[nH]c2cc1F ZINC000587958903 993465115 /nfs/dbraw/zinc/46/51/15/993465115.db2.gz GWRZZLGENPLDME-UHFFFAOYSA-N 0 1 220.247 2.663 20 0 BFADMN CC(C)c1ccc(-c2noc([C@@H]3CCN3)n2)cc1 ZINC000384739361 993618781 /nfs/dbraw/zinc/61/87/81/993618781.db2.gz CPPRWTGWDYCIOT-LBPRGKRZSA-N 0 1 243.310 2.894 20 0 BFADMN Cc1cnc(N[C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000390445856 993789870 /nfs/dbraw/zinc/78/98/70/993789870.db2.gz XMDLCQZYOVSAID-NWDGAFQWSA-N 0 1 220.316 2.678 20 0 BFADMN Cc1nnc([C@H](C)N[C@H](C)C2(C)CC2)s1 ZINC000391829716 993818119 /nfs/dbraw/zinc/81/81/19/993818119.db2.gz ZWVKPOWENDKUHB-JGVFFNPUSA-N 0 1 225.361 2.686 20 0 BFADMN CCn1ccc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC001474634433 994425189 /nfs/dbraw/zinc/42/51/89/994425189.db2.gz GELDZSZZGUMVBA-AWEZNQCLSA-N 0 1 247.386 2.915 20 0 BFADMN Cc1nnsc1[C@H](C)N(C)CC1CCC1 ZINC001308131450 995558489 /nfs/dbraw/zinc/55/84/89/995558489.db2.gz BKVVCKVOLLEGPL-VIFPVBQESA-N 0 1 225.361 2.639 20 0 BFADMN Cc1noc([C@H](NCCCC2CC2)C(C)C)n1 ZINC001308177475 995593093 /nfs/dbraw/zinc/59/30/93/995593093.db2.gz TZAXOBVZWPHNBX-GFCCVEGCSA-N 0 1 237.347 2.855 20 0 BFADMN CCC(C)(CC)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268160437 168309502 /nfs/dbraw/zinc/30/95/02/168309502.db2.gz OYSYKEBIYYRTFX-JTQLQIEISA-N 0 1 249.358 2.525 20 0 BFADMN Cc1cncc([C@H](C)N[C@H]2CCC[C@@H]2F)c1 ZINC000340523915 398136769 /nfs/dbraw/zinc/13/67/69/398136769.db2.gz IVBFZTTUXLCOMP-DRZSPHRISA-N 0 1 222.307 2.931 20 0 BFADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000062015349 349436595 /nfs/dbraw/zinc/43/65/95/349436595.db2.gz XZZQWRVFKBZISP-UWVGGRQHSA-N 0 1 239.290 2.539 20 0 BFADMN CCC(CC)C[N@@H+](CC)Cc1nc(C)no1 ZINC000051824738 136209903 /nfs/dbraw/zinc/20/99/03/136209903.db2.gz QRNGUUZFLSZUCL-UHFFFAOYSA-N 0 1 225.336 2.636 20 0 BFADMN CCC(CC)CN(CC)Cc1nc(C)no1 ZINC000051824738 136209904 /nfs/dbraw/zinc/20/99/04/136209904.db2.gz QRNGUUZFLSZUCL-UHFFFAOYSA-N 0 1 225.336 2.636 20 0 BFADMN Cc1occc1CNCc1c[nH]nc1C(C)(C)C ZINC000067217809 370644644 /nfs/dbraw/zinc/64/46/44/370644644.db2.gz CBSDJDAVWACORL-UHFFFAOYSA-N 0 1 247.342 2.898 20 0 BFADMN Cc1cc(CNCCCC(C)(C)C)no1 ZINC000300939119 349453462 /nfs/dbraw/zinc/45/34/62/349453462.db2.gz VWZKVDHRQLYLCQ-UHFFFAOYSA-N 0 1 210.321 2.899 20 0 BFADMN CCCCC[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000489285927 538915822 /nfs/dbraw/zinc/91/58/22/538915822.db2.gz DXXRBAHLOGPYDE-ZDUSSCGKSA-N 0 1 249.358 2.524 20 0 BFADMN CCN(CCCO)Cc1cccc(F)c1Cl ZINC000161533232 349461771 /nfs/dbraw/zinc/46/17/71/349461771.db2.gz KMWPWAIRYMQJFC-UHFFFAOYSA-N 0 1 245.725 2.683 20 0 BFADMN C[C@H](CCO)N(C)Cc1ccccc1Cl ZINC000649863441 398145157 /nfs/dbraw/zinc/14/51/57/398145157.db2.gz FHGWUQJAVKISNZ-SNVBAGLBSA-N 0 1 227.735 2.543 20 0 BFADMN COC[C@H](C)NCc1cscc1Cl ZINC000379403989 398145195 /nfs/dbraw/zinc/14/51/95/398145195.db2.gz QNEVRFAPBKPTNR-ZETCQYMHSA-N 0 1 219.737 2.526 20 0 BFADMN CCC1(C)CN(Cc2sccc2OC)C1 ZINC000297496522 398145320 /nfs/dbraw/zinc/14/53/20/398145320.db2.gz VSFGZFSBYITDDC-UHFFFAOYSA-N 0 1 225.357 2.989 20 0 BFADMN CC(C)C[N@H+](CC(=O)[O-])CC1CCCCC1 ZINC000062743345 349491371 /nfs/dbraw/zinc/49/13/71/349491371.db2.gz SZLDHIVBMXAGTD-UHFFFAOYSA-N 0 1 227.348 2.609 20 0 BFADMN Cc1ccc(CNCc2ncccc2C)cc1 ZINC000071339066 398147219 /nfs/dbraw/zinc/14/72/19/398147219.db2.gz XZNIVFYYAUDPBA-UHFFFAOYSA-N 0 1 226.323 2.988 20 0 BFADMN Fc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153000109 136212582 /nfs/dbraw/zinc/21/25/82/136212582.db2.gz PGTMTTMEPOMGPM-HIFRSBDPSA-N 0 1 249.329 2.827 20 0 BFADMN CSc1ccc(CN[C@@H](C)CF)s1 ZINC000308289857 398144371 /nfs/dbraw/zinc/14/43/71/398144371.db2.gz FPWDTIJPDWRPMY-ZETCQYMHSA-N 0 1 219.350 2.918 20 0 BFADMN C[C@H](CCO)N(C)Cc1sccc1Cl ZINC000649870824 398159067 /nfs/dbraw/zinc/15/90/67/398159067.db2.gz KOGDEXHOVREQHB-MRVPVSSYSA-N 0 1 233.764 2.604 20 0 BFADMN CC(C)COCCN(C)Cc1ccccc1F ZINC000337303576 187324037 /nfs/dbraw/zinc/32/40/37/187324037.db2.gz QTFVTIKNRFKZDV-UHFFFAOYSA-N 0 1 239.334 2.930 20 0 BFADMN Cc1cc(CN2CC[C@H](C)C(C)(C)C2)no1 ZINC000336355174 178002289 /nfs/dbraw/zinc/00/22/89/178002289.db2.gz GTFAKHXFLPCTQN-JTQLQIEISA-N 0 1 222.332 2.851 20 0 BFADMN Cc1cc(CN2CC[C@H](CC3CC3)C2)no1 ZINC000339683727 178002800 /nfs/dbraw/zinc/00/28/00/178002800.db2.gz OMJREMHDZWYIRE-GFCCVEGCSA-N 0 1 220.316 2.605 20 0 BFADMN Cc1cc(CN2C[C@@H](C)CC[C@H]2C)no1 ZINC000247235949 178005478 /nfs/dbraw/zinc/00/54/78/178005478.db2.gz DICCCSVNYIQEBU-VHSXEESVSA-N 0 1 208.305 2.603 20 0 BFADMN Cc1cc(CN[C@@H](C)Cc2cccs2)no1 ZINC000309589744 178029112 /nfs/dbraw/zinc/02/91/12/178029112.db2.gz UKWQOANWLKNHKN-VIFPVBQESA-N 0 1 236.340 2.765 20 0 BFADMN Cc1cc(CN[C@@H](C)c2cnn(C)c2C)cs1 ZINC000294684998 178031651 /nfs/dbraw/zinc/03/16/51/178031651.db2.gz AGIKLQZCKBLEMG-JTQLQIEISA-N 0 1 249.383 2.949 20 0 BFADMN C[C@H](CCNCc1cocn1)c1ccccc1 ZINC000276997844 398172525 /nfs/dbraw/zinc/17/25/25/398172525.db2.gz JGXTWNGZRJCVFI-GFCCVEGCSA-N 0 1 230.311 2.958 20 0 BFADMN CC(C)(C)C(C)(C)c1nc([C@@H]2CCCN2)no1 ZINC000380058464 398183211 /nfs/dbraw/zinc/18/32/11/398183211.db2.gz XKRGDOSXTXAVQP-VIFPVBQESA-N 0 1 237.347 2.818 20 0 BFADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)ccc1F ZINC000229882572 178039019 /nfs/dbraw/zinc/03/90/19/178039019.db2.gz PTAVUHYPBQFEPG-SNVBAGLBSA-N 0 1 233.290 2.708 20 0 BFADMN Fc1ccc(F)c(CNC2CC(F)(F)C2)c1 ZINC000277747710 398176881 /nfs/dbraw/zinc/17/68/81/398176881.db2.gz VXJXDXZZFQKGOL-UHFFFAOYSA-N 0 1 233.208 2.852 20 0 BFADMN Cc1nccc(N[C@@H]2CCS[C@H]2C)c1Cl ZINC000380008047 398181420 /nfs/dbraw/zinc/18/14/20/398181420.db2.gz QBLLIFFUCCMHPR-DTWKUNHWSA-N 0 1 242.775 2.771 20 0 BFADMN CCN(Cc1nccn1CC(F)(F)F)C(C)C ZINC000171382314 346818070 /nfs/dbraw/zinc/81/80/70/346818070.db2.gz PZMKCYKYRPBGHH-UHFFFAOYSA-N 0 1 249.280 2.676 20 0 BFADMN Cc1ccc(Cl)c(NC(=O)[C@H](C)N(C)C)c1 ZINC000162228319 538921489 /nfs/dbraw/zinc/92/14/89/538921489.db2.gz 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/nfs/dbraw/zinc/82/44/17/387824417.db2.gz WUBODEUYOXEZOV-SECBINFHSA-N 0 1 249.339 2.613 20 0 BFADMN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cocn2)C1 ZINC000432922930 387841494 /nfs/dbraw/zinc/84/14/94/387841494.db2.gz BZBJQOMLIKRWDP-VWYCJHECSA-N 0 1 208.305 2.541 20 0 BFADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cocn2)C1 ZINC000432922930 387841499 /nfs/dbraw/zinc/84/14/99/387841499.db2.gz BZBJQOMLIKRWDP-VWYCJHECSA-N 0 1 208.305 2.541 20 0 BFADMN CC(C)N(C)CC(=O)Nc1ccc2ccoc2c1 ZINC000442800495 387843465 /nfs/dbraw/zinc/84/34/65/387843465.db2.gz MJHSTZFBLQOXHU-UHFFFAOYSA-N 0 1 246.310 2.712 20 0 BFADMN Cc1cc(C(=O)CN2CCC(C)(C)CC2)c(C)[nH]1 ZINC000061803825 387847490 /nfs/dbraw/zinc/84/74/90/387847490.db2.gz JBEMLADRVAQFKI-UHFFFAOYSA-N 0 1 248.370 2.936 20 0 BFADMN Cc1cc(C[N@H+](C)C(C)(C)C)oc1C(=O)[O-] ZINC000394327092 387864787 /nfs/dbraw/zinc/86/47/87/387864787.db2.gz NCECVYZWKZSOON-UHFFFAOYSA-N 0 1 225.288 2.517 20 0 BFADMN COC[C@H](NCC1=CCCC1)c1ccco1 ZINC000645853363 387870745 /nfs/dbraw/zinc/87/07/45/387870745.db2.gz DRSYGBYPTPYGOS-LBPRGKRZSA-N 0 1 221.300 2.667 20 0 BFADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)[C@H](C)[C@H](C)O1 ZINC000432788978 387819569 /nfs/dbraw/zinc/81/95/69/387819569.db2.gz OGKWCRGUQSYOLI-UTUOFQBUSA-N 0 1 211.349 2.674 20 0 BFADMN CC/C=C\CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000452611773 387875971 /nfs/dbraw/zinc/87/59/71/387875971.db2.gz JYCACTSRMRCYGP-SREVYHEPSA-N 0 1 235.331 2.538 20 0 BFADMN C[C@H]1CCCN(Cc2ncccc2Cl)C1 ZINC000528345567 387903855 /nfs/dbraw/zinc/90/38/55/387903855.db2.gz SSBYHSCGHUCOHN-JTQLQIEISA-N 0 1 224.735 2.967 20 0 BFADMN CC(C)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000444748993 387920244 /nfs/dbraw/zinc/92/02/44/387920244.db2.gz OHQHQORZBPJOKM-GFCCVEGCSA-N 0 1 241.375 2.696 20 0 BFADMN CCn1ccnc1CN1CCC[C@@H](C(C)C)C1 ZINC000438337520 387926156 /nfs/dbraw/zinc/92/61/56/387926156.db2.gz GXRFQQCCRMNGBF-CYBMUJFWSA-N 0 1 235.375 2.771 20 0 BFADMN COCC1(NCc2ccc(Cl)cc2F)CC1 ZINC000309640068 387952073 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HFVRZKOVDOOEMV-DTWKUNHWSA-N 0 1 249.280 2.752 20 0 BFADMN CN1Cc2ccc(NCC3(F)CC3)cc2C1 ZINC000309663644 388009450 /nfs/dbraw/zinc/00/94/50/388009450.db2.gz SJCRGCSBHUZUDQ-UHFFFAOYSA-N 0 1 220.291 2.546 20 0 BFADMN CCn1ccnc1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000453202987 388010340 /nfs/dbraw/zinc/01/03/40/388010340.db2.gz DOKRVRYBYACLKN-NWDGAFQWSA-N 0 1 233.359 2.886 20 0 BFADMN CC[C@@H](NCc1ccc(F)cn1)c1ccncc1 ZINC000453146515 387996245 /nfs/dbraw/zinc/99/62/45/387996245.db2.gz OVJYJBHJERGECA-CQSZACIVSA-N 0 1 245.301 2.857 20 0 BFADMN C[C@@H]1CN(CC2CC2)C[C@@H](c2ccsc2)O1 ZINC000246124615 388012434 /nfs/dbraw/zinc/01/24/34/388012434.db2.gz YXVGQSXHQYLJKQ-MFKMUULPSA-N 0 1 237.368 2.920 20 0 BFADMN CCC[C@H](C)CCCOCCc1c[nH]nn1 ZINC000629369825 388041582 /nfs/dbraw/zinc/04/15/82/388041582.db2.gz GOLDWAHIUMJAIO-NSHDSACASA-N 0 1 225.336 2.580 20 0 BFADMN C[C@H](NCc1nn(C)cc1Cl)C(C)(C)C ZINC000453314050 388043500 /nfs/dbraw/zinc/04/35/00/388043500.db2.gz FLCFBYBGXMXEAC-QMMMGPOBSA-N 0 1 229.755 2.598 20 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CCCCOCCN(C)Cc1cccc(C)n1 ZINC000440660782 388065287 /nfs/dbraw/zinc/06/52/87/388065287.db2.gz ISTDXEMGOLKPMW-UHFFFAOYSA-N 0 1 236.359 2.639 20 0 BFADMN COCC[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000447352365 388065658 /nfs/dbraw/zinc/06/56/58/388065658.db2.gz ZSYJTCXURAHQNP-MRVPVSSYSA-N 0 1 243.376 2.619 20 0 BFADMN COCC[C@@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000447352365 388065662 /nfs/dbraw/zinc/06/56/62/388065662.db2.gz ZSYJTCXURAHQNP-MRVPVSSYSA-N 0 1 243.376 2.619 20 0 BFADMN Cc1occc1CN(C)C[C@H]1CCCCO1 ZINC000055052635 388074082 /nfs/dbraw/zinc/07/40/82/388074082.db2.gz VZORCXWYLPNIOW-CYBMUJFWSA-N 0 1 223.316 2.589 20 0 BFADMN CC[C@@H]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000085066316 388083455 /nfs/dbraw/zinc/08/34/55/388083455.db2.gz PFMFYUGCFAPJBG-NXEZZACHSA-N 0 1 245.330 2.734 20 0 BFADMN CCC1CN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000453607319 388091610 /nfs/dbraw/zinc/09/16/10/388091610.db2.gz SFJURKLYQKLPBT-UHFFFAOYSA-N 0 1 247.367 2.980 20 0 BFADMN FCCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000336660365 388094297 /nfs/dbraw/zinc/09/42/97/388094297.db2.gz BIGJPSCVDXXKKB-NWDGAFQWSA-N 0 1 243.709 2.729 20 0 BFADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000086776040 388108711 /nfs/dbraw/zinc/10/87/11/388108711.db2.gz FKJLOQLLDHBQNK-JTQLQIEISA-N 0 1 239.290 2.683 20 0 BFADMN CCC[N@@H+](CC[C@H](C)c1ccccc1)CC(=O)[O-] ZINC000086775924 388108784 /nfs/dbraw/zinc/10/87/84/388108784.db2.gz YOERFPRESQKUBX-ZDUSSCGKSA-N 0 1 249.354 2.977 20 0 BFADMN Cc1ccc(F)cc1CNCc1cccnc1 ZINC000083357406 388048590 /nfs/dbraw/zinc/04/85/90/388048590.db2.gz QKZVFBGLZMISMH-UHFFFAOYSA-N 0 1 230.286 2.819 20 0 BFADMN CC/C=C/CN[C@@H](C)c1ccncc1F ZINC000453333110 388048773 /nfs/dbraw/zinc/04/87/73/388048773.db2.gz WUJJNZXBNJTTBA-YEZKRMTDSA-N 0 1 208.280 2.838 20 0 BFADMN CC[C@H](CSC)N[C@H](C)c1cscn1 ZINC000162383381 388159990 /nfs/dbraw/zinc/15/99/90/388159990.db2.gz YMYIFBNYABLFAT-RKDXNWHRSA-N 0 1 230.402 2.935 20 0 BFADMN CC(C)(CF)NCc1ccnn1C1CCCC1 ZINC000449250490 388162781 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/nfs/dbraw/zinc/19/90/77/388199077.db2.gz JBQKRFSOYVAHOJ-UHFFFAOYSA-N 0 1 245.213 2.547 20 0 BFADMN Fc1ccc(CN2CC[C@@H]2C2CC2)cc1F ZINC000449422380 388200402 /nfs/dbraw/zinc/20/04/02/388200402.db2.gz DBOMOCLCQXRFSB-CYBMUJFWSA-N 0 1 223.266 2.949 20 0 BFADMN CC(C)(C)n1cc(CN2CC[C@H]2C2CC2)cn1 ZINC000449422044 388200723 /nfs/dbraw/zinc/20/07/23/388200723.db2.gz CBSCWLOLSSDXMN-ZDUSSCGKSA-N 0 1 233.359 2.622 20 0 BFADMN CCN(Cc1cccc2ccoc21)C1COC1 ZINC000449422198 388200817 /nfs/dbraw/zinc/20/08/17/388200817.db2.gz CWQWHWIUOKCJLC-UHFFFAOYSA-N 0 1 231.295 2.654 20 0 BFADMN COc1cc(F)cc(CN2CC[C@@H]2C2CC2)c1 ZINC000449431117 388204465 /nfs/dbraw/zinc/20/44/65/388204465.db2.gz ZRHXZGVJSSGRPB-CQSZACIVSA-N 0 1 235.302 2.819 20 0 BFADMN CC/C=C\CNCc1cn2cc(C)ccc2n1 ZINC000449453456 388209417 /nfs/dbraw/zinc/20/94/17/388209417.db2.gz HUEAKNUUSPXWGA-PLNGDYQASA-N 0 1 229.327 2.699 20 0 BFADMN CC/C=C\CNCc1cccc(OCC)n1 ZINC000449464748 388211854 /nfs/dbraw/zinc/21/18/54/388211854.db2.gz ZBPCCNNYQLBPCJ-WAYWQWQTSA-N 0 1 220.316 2.536 20 0 BFADMN COc1cc(C)nc(CN(C)[C@H]2CC2(C)C)c1 ZINC000489415067 388212218 /nfs/dbraw/zinc/21/22/18/388212218.db2.gz PQVLVMQWUBPLPR-ZDUSSCGKSA-N 0 1 234.343 2.629 20 0 BFADMN CN(CC(=O)OC(C)(C)C)C1(C)CCCC1 ZINC000489855433 388226405 /nfs/dbraw/zinc/22/64/05/388226405.db2.gz IHVKACCPHCWIPD-UHFFFAOYSA-N 0 1 227.348 2.593 20 0 BFADMN CC(C)[C@H]1CN(Cc2nccn2C)[C@H]1C(C)C ZINC000449553970 388231163 /nfs/dbraw/zinc/23/11/63/388231163.db2.gz NGPCNVJTDYIGPF-OCCSQVGLSA-N 0 1 235.375 2.533 20 0 BFADMN CC(C)[C@@H]1CN(Cc2nccn2C)[C@H]1C(C)C ZINC000449553969 388231264 /nfs/dbraw/zinc/23/12/64/388231264.db2.gz NGPCNVJTDYIGPF-JSGCOSHPSA-N 0 1 235.375 2.533 20 0 BFADMN C[C@H]1CN(Cc2ccc(Cl)s2)CC[C@@H]1O ZINC000164664128 388242190 /nfs/dbraw/zinc/24/21/90/388242190.db2.gz AGOOEAUFWROWJG-WPRPVWTQSA-N 0 1 245.775 2.604 20 0 BFADMN COCc1cc(CN[C@@H](C)CCC(C)C)no1 ZINC000459370953 388242757 /nfs/dbraw/zinc/24/27/57/388242757.db2.gz PJVPAWWUFXBCNU-NSHDSACASA-N 0 1 240.347 2.735 20 0 BFADMN CCc1ncc(CNCc2ccc(C)s2)o1 ZINC000449610362 388242927 /nfs/dbraw/zinc/24/29/27/388242927.db2.gz QHSZUPWXSYSCRJ-UHFFFAOYSA-N 0 1 236.340 2.897 20 0 BFADMN Cc1ccoc1CNCc1cccc2nccn21 ZINC000491399027 388291965 /nfs/dbraw/zinc/29/19/65/388291965.db2.gz HFYDWBSCFHHHBK-UHFFFAOYSA-N 0 1 241.294 2.526 20 0 BFADMN CC/C=C\CCN1CC[S@@](=O)C(C)(C)CC1 ZINC000451758294 388294128 /nfs/dbraw/zinc/29/41/28/388294128.db2.gz PUUISCCRKBNKMD-OGZRUICASA-N 0 1 243.416 2.576 20 0 BFADMN F[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000648721394 388353342 /nfs/dbraw/zinc/35/33/42/388353342.db2.gz WGJQZMFDYJBSSG-GFCCVEGCSA-N 0 1 230.286 2.779 20 0 BFADMN C[C@@H](NC1CC(F)(F)C1)c1ccc(F)cn1 ZINC000277228551 388353748 /nfs/dbraw/zinc/35/37/48/388353748.db2.gz YLSDANMMVKNGIO-SSDOTTSWSA-N 0 1 230.233 2.669 20 0 BFADMN F[C@@H]1CCN(Cc2ccc3cnccc3c2)C1 ZINC000648721615 388355264 /nfs/dbraw/zinc/35/52/64/388355264.db2.gz OIUJMMKKVYSSDE-CQSZACIVSA-N 0 1 230.286 2.779 20 0 BFADMN O=C([O-])c1occc1C[N@@H+](C1CC1)C1CCCC1 ZINC000572774175 388375924 /nfs/dbraw/zinc/37/59/24/388375924.db2.gz WBEFUCQDOLGNID-UHFFFAOYSA-N 0 1 249.310 2.885 20 0 BFADMN CCc1cnc(CN(CC)C2CCC2)o1 ZINC000524717632 388376713 /nfs/dbraw/zinc/37/67/13/388376713.db2.gz MXRQEBMUFFECOE-UHFFFAOYSA-N 0 1 208.305 2.611 20 0 BFADMN Cc1nnsc1CN[C@H](C)c1cccs1 ZINC000293606739 388390161 /nfs/dbraw/zinc/39/01/61/388390161.db2.gz JALDVSZAASDNDC-SSDOTTSWSA-N 0 1 239.369 2.759 20 0 BFADMN CO[C@H](CN[C@H](C)c1csc(C)n1)C1CC1 ZINC000293810016 388391964 /nfs/dbraw/zinc/39/19/64/388391964.db2.gz VQZIXEYFTATXPW-PRHODGIISA-N 0 1 240.372 2.527 20 0 BFADMN C[C@@H](CCc1ccccc1)NCc1cocn1 ZINC000237340575 388393744 /nfs/dbraw/zinc/39/37/44/388393744.db2.gz PRIUXGUNAKYCFA-LBPRGKRZSA-N 0 1 230.311 2.786 20 0 BFADMN O=C(/C=C/C1CCC1)Nc1ccc2nc[nH]c2c1 ZINC000492073911 388333889 /nfs/dbraw/zinc/33/38/89/388333889.db2.gz XEVYVFGQHBDNLS-QPJJXVBHSA-N 0 1 241.294 2.858 20 0 BFADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000514609510 256681386 /nfs/dbraw/zinc/68/13/86/256681386.db2.gz KAPDCMGLMPYSEY-NWDGAFQWSA-N 0 1 241.375 2.998 20 0 BFADMN FC1(CN2CCc3ccccc3C2)CC1 ZINC000525977276 388440148 /nfs/dbraw/zinc/44/01/48/388440148.db2.gz WAKIOBYCNIDVAA-UHFFFAOYSA-N 0 1 205.276 2.547 20 0 BFADMN CCC(C)(C)OCCNCc1nc(C)cs1 ZINC000308542793 388441825 /nfs/dbraw/zinc/44/18/25/388441825.db2.gz LCVDXVRCRNJBRB-UHFFFAOYSA-N 0 1 242.388 2.746 20 0 BFADMN C[C@@H](CN(C)CC1(F)CC1)c1nccs1 ZINC000525992166 388452902 /nfs/dbraw/zinc/45/29/02/388452902.db2.gz XKJKSNICVINTSE-VIFPVBQESA-N 0 1 228.336 2.681 20 0 BFADMN C[C@H]1[C@H](CO)CCN1Cc1ccc(Cl)s1 ZINC000335711581 388454164 /nfs/dbraw/zinc/45/41/64/388454164.db2.gz NTSJTXBWSITIMN-IUCAKERBSA-N 0 1 245.775 2.604 20 0 BFADMN Cc1cc(C(=O)N2CCCC[C@@H]2C2CCC2)n[nH]1 ZINC000649197871 388455500 /nfs/dbraw/zinc/45/55/00/388455500.db2.gz WRXBGMNELYDYDE-CYBMUJFWSA-N 0 1 247.342 2.513 20 0 BFADMN C[C@H](C(=O)OC(C)(C)C)N1CCC2(CCC2)C1 ZINC000176945702 388468140 /nfs/dbraw/zinc/46/81/40/388468140.db2.gz IATGNVKCQGAGIO-LLVKDONJSA-N 0 1 239.359 2.593 20 0 BFADMN Cn1c(Cl)cnc1CNCC1=CCCCC1 ZINC000295197763 388410760 /nfs/dbraw/zinc/41/07/60/388410760.db2.gz YFBPDPRQJBKISH-UHFFFAOYSA-N 0 1 239.750 2.664 20 0 BFADMN Cc1ccnc(NCCc2ncccc2C)c1 ZINC000295860355 388414565 /nfs/dbraw/zinc/41/45/65/388414565.db2.gz YCJJSSMVFUSTCO-UHFFFAOYSA-N 0 1 227.311 2.748 20 0 BFADMN C[C@H](CC(F)(F)F)NCc1cnc(C2CC2)o1 ZINC000648824589 388414800 /nfs/dbraw/zinc/41/48/00/388414800.db2.gz JRVHSEJEYIZFGG-SSDOTTSWSA-N 0 1 248.248 2.983 20 0 BFADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCC(=O)[O-] ZINC000573105037 388420048 /nfs/dbraw/zinc/42/00/48/388420048.db2.gz SEMUVXZCBKXNCH-YHWZYXNKSA-N 0 1 239.359 2.894 20 0 BFADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000166416363 388426070 /nfs/dbraw/zinc/42/60/70/388426070.db2.gz JFAATHALTZEHGF-SECBINFHSA-N 0 1 239.340 2.678 20 0 BFADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000166416470 388426211 /nfs/dbraw/zinc/42/62/11/388426211.db2.gz JFAATHALTZEHGF-VIFPVBQESA-N 0 1 239.340 2.678 20 0 BFADMN CC[N@@H+](CCC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086754402 388426257 /nfs/dbraw/zinc/42/62/57/388426257.db2.gz SUCCTFUPLBNITQ-UHFFFAOYSA-N 0 1 247.294 2.729 20 0 BFADMN C[C@@H]1C[C@H](NCC2=CCCCC2)c2nccn21 ZINC000297488640 388429603 /nfs/dbraw/zinc/42/96/03/388429603.db2.gz ZVDJTIGLBPOYHX-YPMHNXCESA-N 0 1 231.343 2.979 20 0 BFADMN Cc1cc([C@@H](C)[N@H+](C)CC(C)C)oc1C(=O)[O-] ZINC000573213906 388432959 /nfs/dbraw/zinc/43/29/59/388432959.db2.gz WNMQMHMIGURVAQ-SNVBAGLBSA-N 0 1 239.315 2.935 20 0 BFADMN CC[C@@](C)(CNCc1c(F)cccc1F)OC ZINC000322517289 388437485 /nfs/dbraw/zinc/43/74/85/388437485.db2.gz KNTRBNXZGLMUGV-ZDUSSCGKSA-N 0 1 243.297 2.870 20 0 BFADMN Cc1nc2cc(NC[C@@H]3C[C@@H]3C)ccc2n1C ZINC000573273385 388438296 /nfs/dbraw/zinc/43/82/96/388438296.db2.gz BMPILRTVNWVIAP-ONGXEEELSA-N 0 1 229.327 2.950 20 0 BFADMN C/C(Cl)=C\CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000528511775 388538581 /nfs/dbraw/zinc/53/85/81/388538581.db2.gz YIPLGMMBPQFLTC-NDZKXSSTSA-N 0 1 239.750 2.581 20 0 BFADMN C[N@H+](Cc1cccc(O)c1)C[C@@H]1CCC(C)(C)O1 ZINC000548485009 388542961 /nfs/dbraw/zinc/54/29/61/388542961.db2.gz ZZCGFSRPYXFYAJ-AWEZNQCLSA-N 0 1 249.354 2.782 20 0 BFADMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(C2CC2)o1 ZINC000548502887 388545444 /nfs/dbraw/zinc/54/54/44/388545444.db2.gz FJYRRUYRPYSMDN-MWLCHTKSSA-N 0 1 235.331 2.567 20 0 BFADMN CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000339369265 388482896 /nfs/dbraw/zinc/48/28/96/388482896.db2.gz DLDRDYFDVJLNKS-RKDXNWHRSA-N 0 1 243.734 2.559 20 0 BFADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1[nH]nc2ccccc21 ZINC000135243413 388487364 /nfs/dbraw/zinc/48/73/64/388487364.db2.gz LEGZIGVPZCSNBO-NXEZZACHSA-N 0 1 243.310 2.576 20 0 BFADMN CN(CCC1CC1)Cc1cccnc1Cl ZINC000135278397 388489571 /nfs/dbraw/zinc/48/95/71/388489571.db2.gz XTSRZUFLVKMCLA-UHFFFAOYSA-N 0 1 224.735 2.967 20 0 BFADMN C[C@@H]1CC[C@@H](NCc2nnc(C3CC3)o2)[C@@H](C)C1 ZINC000547833298 388490227 /nfs/dbraw/zinc/49/02/27/388490227.db2.gz OSEXJKAXWGNVIY-JFGNBEQYSA-N 0 1 249.358 2.861 20 0 BFADMN CCCC[C@@H](COC)NCc1cc(CC)no1 ZINC000547866968 388494139 /nfs/dbraw/zinc/49/41/39/388494139.db2.gz BOOOIKZICNTHEV-LBPRGKRZSA-N 0 1 240.347 2.532 20 0 BFADMN Cc1cc(C(=O)CN2CC[C@H](C3CC3)C2)c(C)[nH]1 ZINC000344009194 388504591 /nfs/dbraw/zinc/50/45/91/388504591.db2.gz QRTKUDRVQTURSV-ZDUSSCGKSA-N 0 1 246.354 2.546 20 0 BFADMN c1nc(CNC[C@@H]2CSc3ccccc32)co1 ZINC000397871442 388508254 /nfs/dbraw/zinc/50/82/54/388508254.db2.gz FZHRFSXZEPDPHK-SNVBAGLBSA-N 0 1 246.335 2.654 20 0 BFADMN Cc1nsc(C)c1CN1CCSC[C@H]1C ZINC000516781557 388516745 /nfs/dbraw/zinc/51/67/45/388516745.db2.gz MTKRGIGHBRPMMJ-MRVPVSSYSA-N 0 1 242.413 2.697 20 0 BFADMN CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)C(C)C ZINC000517430281 388549689 /nfs/dbraw/zinc/54/96/89/388549689.db2.gz NUHOVDWJBYIFKL-UHFFFAOYSA-N 0 1 247.298 2.540 20 0 BFADMN C[C@@H]1C[C@H](C)CN1Cc1ncccc1Cl ZINC000528388868 388518931 /nfs/dbraw/zinc/51/89/31/388518931.db2.gz RDMHLHWGWPAWIV-VHSXEESVSA-N 0 1 224.735 2.965 20 0 BFADMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1C/C=C\c1ccccc1 ZINC000548176187 388519214 /nfs/dbraw/zinc/51/92/14/388519214.db2.gz OUAPTFFLFXRSGY-IKQZUGGXSA-N 0 1 244.382 2.724 20 0 BFADMN C/C(Cl)=C\CN1CC[C@@H](OCC(C)C)C1 ZINC000528402758 388520601 /nfs/dbraw/zinc/52/06/01/388520601.db2.gz IGXGUOIORSQTQH-KBVBDRTLSA-N 0 1 231.767 2.876 20 0 BFADMN C[C@@H](NCc1cncc(F)c1)c1cccc(O)c1 ZINC000346966627 388521778 /nfs/dbraw/zinc/52/17/78/388521778.db2.gz ORSLIXQSKCSCFG-SNVBAGLBSA-N 0 1 246.285 2.777 20 0 BFADMN CCOC1CC(N(C)C/C=C(\C)Cl)C1 ZINC000528501577 388535263 /nfs/dbraw/zinc/53/52/63/388535263.db2.gz HDXHJSXZKHTKML-WEVVVXLNSA-N 0 1 217.740 2.628 20 0 BFADMN CCOC1CC(N(C)C/C=C(/C)Cl)C1 ZINC000528501575 388535412 /nfs/dbraw/zinc/53/54/12/388535412.db2.gz HDXHJSXZKHTKML-UITAMQMPSA-N 0 1 217.740 2.628 20 0 BFADMN Cc1n[nH]c(C(=O)NCC[C@H]2CC=CCC2)c1C ZINC000529867438 388593434 /nfs/dbraw/zinc/59/34/34/388593434.db2.gz LAXUDQHAYZVIQU-LBPRGKRZSA-N 0 1 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RWYQNKCABQESDI-UHFFFAOYSA-N 0 1 242.322 2.883 20 0 BFADMN O=c1c2c([nH]n1C1CCC(F)(F)CC1)CCC2 ZINC000899365858 584207621 /nfs/dbraw/zinc/20/76/21/584207621.db2.gz DNRWVCBLYXXDDI-SECBINFHSA-N 0 1 242.269 2.563 20 0 BFADMN CN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000899910884 584252994 /nfs/dbraw/zinc/25/29/94/584252994.db2.gz LCZKVGRTHXPBTR-CYBMUJFWSA-N 0 1 246.354 2.522 20 0 BFADMN CN(C(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000899910884 584252995 /nfs/dbraw/zinc/25/29/95/584252995.db2.gz LCZKVGRTHXPBTR-CYBMUJFWSA-N 0 1 246.354 2.522 20 0 BFADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000900010702 584265604 /nfs/dbraw/zinc/26/56/04/584265604.db2.gz WQHQIBPGKDYDTO-OOCWMUITSA-N 0 1 247.342 2.644 20 0 BFADMN CCC(C)(CC)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000900697558 584339587 /nfs/dbraw/zinc/33/95/87/584339587.db2.gz MPGKXSLIECXPIR-LLVKDONJSA-N 0 1 240.391 2.554 20 0 BFADMN CCC(C)(C)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000900757467 584345457 /nfs/dbraw/zinc/34/54/57/584345457.db2.gz IMPHKGLFVIGDGX-UHFFFAOYSA-N 0 1 245.273 2.608 20 0 BFADMN CCC(C)(C)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000900759250 584346001 /nfs/dbraw/zinc/34/60/01/584346001.db2.gz UMEPTXIEMHMBNG-NSHDSACASA-N 0 1 240.391 2.506 20 0 BFADMN COc1ccc2nc(S[C@H](C)OC)[nH]c2c1 ZINC000901355582 584431795 /nfs/dbraw/zinc/43/17/95/584431795.db2.gz NAZRGFFSRSDACA-SSDOTTSWSA-N 0 1 238.312 2.656 20 0 BFADMN c1csc(-c2cc(CN3CCCC3)on2)c1 ZINC000901388625 584436756 /nfs/dbraw/zinc/43/67/56/584436756.db2.gz WNMKQXHNAFNLCZ-UHFFFAOYSA-N 0 1 234.324 2.999 20 0 BFADMN CC(C)(N)c1cc(-c2cccc(F)c2)no1 ZINC000901398999 584438918 /nfs/dbraw/zinc/43/89/18/584438918.db2.gz AKQKQFXJOQKBKN-UHFFFAOYSA-N 0 1 220.247 2.675 20 0 BFADMN CC1CC(CSc2nc(C3CC3)n[nH]2)C1 ZINC000901446187 584446924 /nfs/dbraw/zinc/44/69/24/584446924.db2.gz GKLBGXXPMBAEMX-UHFFFAOYSA-N 0 1 223.345 2.820 20 0 BFADMN CC1CC(CSc2n[nH]c(C3CC3)n2)C1 ZINC000901446187 584446925 /nfs/dbraw/zinc/44/69/25/584446925.db2.gz GKLBGXXPMBAEMX-UHFFFAOYSA-N 0 1 223.345 2.820 20 0 BFADMN Cc1ccc([C@@H](C)C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000901595788 584466290 /nfs/dbraw/zinc/46/62/90/584466290.db2.gz CQACVXMSFVIEAD-STQMWFEESA-N 0 1 249.354 2.751 20 0 BFADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000901980962 584512134 /nfs/dbraw/zinc/51/21/34/584512134.db2.gz UBVRGUPUZNDXOW-NJZAAPMLSA-N 0 1 247.338 2.585 20 0 BFADMN CNc1ccccc1CNCc1ccc(C)nc1 ZINC000902076826 584520383 /nfs/dbraw/zinc/52/03/83/584520383.db2.gz ARKCYIFDNCXOLK-UHFFFAOYSA-N 0 1 241.338 2.722 20 0 BFADMN CCn1cnc(CNCc2sccc2C)c1 ZINC000902101931 584523129 /nfs/dbraw/zinc/52/31/29/584523129.db2.gz BFNCZQHLAVKUQH-UHFFFAOYSA-N 0 1 235.356 2.563 20 0 BFADMN CCc1onc(C)c1CNc1nccn1C1CC1 ZINC000902113661 584526742 /nfs/dbraw/zinc/52/67/42/584526742.db2.gz IHLFNLBMZKHELE-UHFFFAOYSA-N 0 1 246.314 2.689 20 0 BFADMN CCn1cnc(CNC(C)(C)c2ccccc2)c1 ZINC000902110444 584526834 /nfs/dbraw/zinc/52/68/34/584526834.db2.gz SIYMHYFDTKIYFI-UHFFFAOYSA-N 0 1 243.354 2.928 20 0 BFADMN CCOc1ccc(CNc2nccn2C2CC2)o1 ZINC000902113124 584526886 /nfs/dbraw/zinc/52/68/86/584526886.db2.gz BIAHPCLQOSTOEE-UHFFFAOYSA-N 0 1 247.298 2.822 20 0 BFADMN CNc1ccccc1CNCc1scnc1C ZINC000902206509 584538504 /nfs/dbraw/zinc/53/85/04/584538504.db2.gz OBNXKGNZNKUJJF-UHFFFAOYSA-N 0 1 247.367 2.783 20 0 BFADMN CC[C@]1(C)CCC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000902269464 584549362 /nfs/dbraw/zinc/54/93/62/584549362.db2.gz CUMACJRTOZJAPR-CQSZACIVSA-N 0 1 241.375 2.999 20 0 BFADMN COc1ccc(CON=C(N)C(C)C)cc1C ZINC000902326204 584560503 /nfs/dbraw/zinc/56/05/03/584560503.db2.gz DZEDQRGGDAOCQP-UHFFFAOYSA-N 0 1 236.315 2.658 20 0 BFADMN Cc1cn[nH]c1CS[C@@H](C)c1cnc(C)cn1 ZINC000902395764 584584525 /nfs/dbraw/zinc/58/45/25/584584525.db2.gz MPUACPYHZSHLIW-JTQLQIEISA-N 0 1 248.355 2.811 20 0 BFADMN Cc1cn[nH]c1CSCCC1CCOCC1 ZINC000902399466 584585851 /nfs/dbraw/zinc/58/58/51/584585851.db2.gz ZYFDRJBJYRSHSV-UHFFFAOYSA-N 0 1 240.372 2.768 20 0 BFADMN C[C@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859064171 588996310 /nfs/dbraw/zinc/99/63/10/588996310.db2.gz UOCKPRDKEALDJC-JTQLQIEISA-N 0 1 208.280 2.595 20 0 BFADMN CC(C)[C@H]1CCCN1Cc1cc(Cl)n(C)n1 ZINC000859091351 588999734 /nfs/dbraw/zinc/99/97/34/588999734.db2.gz KKYNJNBACVWFGC-LLVKDONJSA-N 0 1 241.766 2.694 20 0 BFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902507345 584622057 /nfs/dbraw/zinc/62/20/57/584622057.db2.gz KPLQMLGDTLHKNZ-TVRMLOFPSA-N 0 1 249.310 2.752 20 0 BFADMN CC(C)[N@@H+](CCC(C)(C)C(=O)[O-])C1CCC1 ZINC000902522908 584632022 /nfs/dbraw/zinc/63/20/22/584632022.db2.gz FAIBHYHLHMOYQZ-UHFFFAOYSA-N 0 1 227.348 2.750 20 0 BFADMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C(C)(C)C ZINC000902534012 584633991 /nfs/dbraw/zinc/63/39/91/584633991.db2.gz DPUDFKUTXFAFJK-BQYQJAHWSA-N 0 1 237.299 2.608 20 0 BFADMN CC(C)[N@@H+](CCC(C)(C)C(=O)[O-])CC1CCC1 ZINC000902533641 584634166 /nfs/dbraw/zinc/63/41/66/584634166.db2.gz ICNXBIGPLYFNLA-UHFFFAOYSA-N 0 1 241.375 2.998 20 0 BFADMN Cc1cn[nH]c1CSCCc1ccns1 ZINC000902573247 584636744 /nfs/dbraw/zinc/63/67/44/584636744.db2.gz VTJGSPWOLXKKER-UHFFFAOYSA-N 0 1 239.369 2.651 20 0 BFADMN CNc1ccccc1CNCc1occc1C ZINC000902574776 584637207 /nfs/dbraw/zinc/63/72/07/584637207.db2.gz JZEDEFZZJYNZCZ-UHFFFAOYSA-N 0 1 230.311 2.920 20 0 BFADMN COC[C@@H](CSCc1[nH]ncc1C)C(C)C ZINC000902603584 584641812 /nfs/dbraw/zinc/64/18/12/584641812.db2.gz ZPBVQWMFVBGJBB-NSHDSACASA-N 0 1 242.388 2.870 20 0 BFADMN F[C@H]1CCCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000902991414 584710228 /nfs/dbraw/zinc/71/02/28/584710228.db2.gz QQBZSOCVILBXTC-RYUDHWBXSA-N 0 1 227.323 2.522 20 0 BFADMN CO[C@H](CN1CCC[C@@H](F)C1)c1ccccc1 ZINC000902994584 584712376 /nfs/dbraw/zinc/71/23/76/584712376.db2.gz FOHDHVCOCNKUQW-ZIAGYGMSSA-N 0 1 237.318 2.808 20 0 BFADMN C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1csnn1 ZINC000903023718 584721289 /nfs/dbraw/zinc/72/12/89/584721289.db2.gz HZLSMVSFDIXHCJ-CHWFTXMASA-N 0 1 237.372 2.767 20 0 BFADMN C[C@H](NC1C[C@H]2CCC[C@@H]2C1)c1csnn1 ZINC000903023722 584721451 /nfs/dbraw/zinc/72/14/51/584721451.db2.gz HZLSMVSFDIXHCJ-IVZWLZJFSA-N 0 1 237.372 2.767 20 0 BFADMN CCCn1cc([C@@H](C)N[C@@]2(C)CC2(C)C)nn1 ZINC000903055849 584722575 /nfs/dbraw/zinc/72/25/75/584722575.db2.gz CZVAASLCLNQKCH-MFKMUULPSA-N 0 1 236.363 2.527 20 0 BFADMN C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1ncco1 ZINC000903314606 584749169 /nfs/dbraw/zinc/74/91/69/584749169.db2.gz BEUOZYGEKKETCG-XWLWVQCSSA-N 0 1 206.289 2.514 20 0 BFADMN c1cnc([C@H](N[C@@H]2CCC23CCC3)C2CC2)nc1 ZINC000903325719 584753331 /nfs/dbraw/zinc/75/33/31/584753331.db2.gz UPQWMVIRUOJURH-CHWSQXEVSA-N 0 1 243.354 2.850 20 0 BFADMN CC1(C)CC[C@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903326549 584753580 /nfs/dbraw/zinc/75/35/80/584753580.db2.gz XWDDORBAIXAQTA-VXGBXAGGSA-N 0 1 231.343 2.706 20 0 BFADMN CCc1ccc([C@@H](C)NCc2cn(C)cn2)s1 ZINC000903351258 584755259 /nfs/dbraw/zinc/75/52/59/584755259.db2.gz JBLHCSHTELZUFV-SNVBAGLBSA-N 0 1 249.383 2.895 20 0 BFADMN CC1(C)CCCN(Cc2ccnc(F)c2)C1 ZINC000859140012 589008159 /nfs/dbraw/zinc/00/81/59/589008159.db2.gz QPXIMUWQGUCSNI-UHFFFAOYSA-N 0 1 222.307 2.843 20 0 BFADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000903421137 584763667 /nfs/dbraw/zinc/76/36/67/584763667.db2.gz QWPMCVIJZVETJA-OCCSQVGLSA-N 0 1 247.338 2.729 20 0 BFADMN CCc1noc(C)c1[C@@H](C)NC/C=C/Cl ZINC000903445477 584770363 /nfs/dbraw/zinc/77/03/63/584770363.db2.gz UKXUTXXBLDBQLE-HQZHTGGTSA-N 0 1 228.723 2.949 20 0 BFADMN C[C@@H](NC1(C2CCCCC2)CC1)c1cnn(C)n1 ZINC000903448396 584771079 /nfs/dbraw/zinc/77/10/79/584771079.db2.gz OHMXWZOWVNPQCE-LLVKDONJSA-N 0 1 248.374 2.579 20 0 BFADMN C[C@H](NC1(C2CCCCC2)CC1)c1cnn(C)n1 ZINC000903448398 584771332 /nfs/dbraw/zinc/77/13/32/584771332.db2.gz OHMXWZOWVNPQCE-NSHDSACASA-N 0 1 248.374 2.579 20 0 BFADMN C=C/C=C\CC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000903607353 584784503 /nfs/dbraw/zinc/78/45/03/584784503.db2.gz RSVUBJLPDBXTOB-JJVDHKILSA-N 0 1 249.354 2.694 20 0 BFADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000903591156 584784956 /nfs/dbraw/zinc/78/49/56/584784956.db2.gz ITLZOUFYNLZSAM-BXUZGUMPSA-N 0 1 247.338 2.544 20 0 BFADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1cccs1 ZINC000903591726 584785080 /nfs/dbraw/zinc/78/50/80/584785080.db2.gz TUBHDKNGCXJJOL-MWLCHTKSSA-N 0 1 241.356 2.679 20 0 BFADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1C ZINC000903594696 584785465 /nfs/dbraw/zinc/78/54/65/584785465.db2.gz FJGGCLIGNQCCII-BXKDBHETSA-N 0 1 239.315 2.519 20 0 BFADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC)C1 ZINC000903594552 584785609 /nfs/dbraw/zinc/78/56/09/584785609.db2.gz DLDTZKQJAQPFHY-IJLUTSLNSA-N 0 1 227.348 2.608 20 0 BFADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000903594075 584785821 /nfs/dbraw/zinc/78/58/21/584785821.db2.gz CHVSDBNKLFVJIL-TUAOUCFPSA-N 0 1 241.375 2.854 20 0 BFADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CC1CCC1)C2 ZINC000903618944 584787163 /nfs/dbraw/zinc/78/71/63/584787163.db2.gz PMGWKKSYWGKTSM-UHFFFAOYSA-N 0 1 245.322 2.543 20 0 BFADMN CCCC[C@@H](CC)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903617138 584787422 /nfs/dbraw/zinc/78/74/22/584787422.db2.gz QAHVBUCNMKUICO-WOPDTQHZSA-N 0 1 245.338 2.700 20 0 BFADMN CC(C)[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000903674848 584789428 /nfs/dbraw/zinc/78/94/28/584789428.db2.gz SSKWTXJYSJREBP-JTQLQIEISA-N 0 1 239.340 2.677 20 0 BFADMN CC(C)c1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000903694178 584789607 /nfs/dbraw/zinc/78/96/07/584789607.db2.gz YOMAFBUTWVRVBJ-ZDUSSCGKSA-N 0 1 247.338 2.717 20 0 BFADMN CC(C)c1ccccc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000903692795 584789681 /nfs/dbraw/zinc/78/96/81/584789681.db2.gz BJSWZAWEEVQAIB-CQSZACIVSA-N 0 1 247.338 2.859 20 0 BFADMN CC(C)[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903696650 584790037 /nfs/dbraw/zinc/79/00/37/584790037.db2.gz ZRLXHRHYSPEUMM-GFCCVEGCSA-N 0 1 239.359 2.609 20 0 BFADMN C[C@@H]([N@@H+](C)CCC1(C(=O)[O-])CCC1)C(C)(C)C ZINC000903696370 584790075 /nfs/dbraw/zinc/79/00/75/584790075.db2.gz GVNKUCOJVAAWKQ-LLVKDONJSA-N 0 1 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ZINC000093582055 345662570 /nfs/dbraw/zinc/66/25/70/345662570.db2.gz YYOWTIJTFGTILI-VHSXEESVSA-N 0 1 210.346 2.764 20 0 BFADMN CC(C)[C@H]1CCCN1Cc1nc(C2CC2)no1 ZINC000140527924 345696390 /nfs/dbraw/zinc/69/63/90/345696390.db2.gz JTGVKIOATUTKNS-LLVKDONJSA-N 0 1 235.331 2.567 20 0 BFADMN CN(Cc1ccco1)[C@@H](CCO)c1ccccc1 ZINC000093442299 345670675 /nfs/dbraw/zinc/67/06/75/345670675.db2.gz VESZELQLKGGTDR-HNNXBMFYSA-N 0 1 245.322 2.835 20 0 BFADMN Cc1cnc(CN[C@@H]2CCC(C)(C)C2)o1 ZINC000235926347 537906081 /nfs/dbraw/zinc/90/60/81/537906081.db2.gz ZNGIEIRHVVZALP-SNVBAGLBSA-N 0 1 208.305 2.651 20 0 BFADMN C[N@@H+](Cc1nnc(C2CC2)o1)C1CCCCC1 ZINC000138308555 345693945 /nfs/dbraw/zinc/69/39/45/345693945.db2.gz TYKUASAIJIGSSQ-UHFFFAOYSA-N 0 1 235.331 2.712 20 0 BFADMN CN(Cc1nnc(C2CC2)o1)C1CCCCC1 ZINC000138308555 345693946 /nfs/dbraw/zinc/69/39/46/345693946.db2.gz TYKUASAIJIGSSQ-UHFFFAOYSA-N 0 1 235.331 2.712 20 0 BFADMN Cn1ccnc1C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000201003838 345729248 /nfs/dbraw/zinc/72/92/48/345729248.db2.gz IWUUFQRIZCVXCE-LBPRGKRZSA-N 0 1 235.375 2.678 20 0 BFADMN Cc1csc(CNCCc2ccc(C)o2)n1 ZINC000381383540 345773307 /nfs/dbraw/zinc/77/33/07/345773307.db2.gz LXTLRIJZQBKDDE-UHFFFAOYSA-N 0 1 236.340 2.685 20 0 BFADMN C[C@H]1C[C@H]1C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626153850 345844708 /nfs/dbraw/zinc/84/47/08/345844708.db2.gz XJUNAFVLIHNMPP-JQWIXIFHSA-N 0 1 235.302 2.676 20 0 BFADMN C[C@H]1C[C@H]1CN1CCOc2cc(F)ccc2C1 ZINC000626153850 345844710 /nfs/dbraw/zinc/84/47/10/345844710.db2.gz XJUNAFVLIHNMPP-JQWIXIFHSA-N 0 1 235.302 2.676 20 0 BFADMN C[C@@H]1C[C@@H]1C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626153852 345844789 /nfs/dbraw/zinc/84/47/89/345844789.db2.gz XJUNAFVLIHNMPP-ZYHUDNBSSA-N 0 1 235.302 2.676 20 0 BFADMN C[C@@H]1C[C@@H]1CN1CCOc2cc(F)ccc2C1 ZINC000626153852 345844790 /nfs/dbraw/zinc/84/47/90/345844790.db2.gz XJUNAFVLIHNMPP-ZYHUDNBSSA-N 0 1 235.302 2.676 20 0 BFADMN CCC(CC)(CC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635608849 345885559 /nfs/dbraw/zinc/88/55/59/345885559.db2.gz ZSVYIQZFLWFBIP-GHMZBOCLSA-N 0 1 249.358 2.598 20 0 BFADMN FC(F)(F)c1c[nH]c(=NC[C@H]2CC23CC3)s1 ZINC000418973256 192092971 /nfs/dbraw/zinc/09/29/71/192092971.db2.gz DEPBUGTUICJFLO-ZCFIWIBFSA-N 0 1 248.273 2.796 20 0 BFADMN FC(F)(F)c1c[nH]c(=NC[C@@H]2CC23CC3)s1 ZINC000418973255 192093084 /nfs/dbraw/zinc/09/30/84/192093084.db2.gz DEPBUGTUICJFLO-LURJTMIESA-N 0 1 248.273 2.796 20 0 BFADMN Cc1cncc([C@@H](C)NCc2cccc(C)n2)c1 ZINC000184289836 345942972 /nfs/dbraw/zinc/94/29/72/345942972.db2.gz OVMWEJUOBZYUST-CYBMUJFWSA-N 0 1 241.338 2.944 20 0 BFADMN CC[C@@H](NCc1ccccc1C)c1nccn1C ZINC000182223427 347088856 /nfs/dbraw/zinc/08/88/56/347088856.db2.gz HBSTZEMIQUSRLC-CQSZACIVSA-N 0 1 243.354 2.969 20 0 BFADMN CCCCC[C@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635703944 345990303 /nfs/dbraw/zinc/99/03/03/345990303.db2.gz BVSRNQCOBZOYDV-OLZOCXBDSA-N 0 1 240.391 2.508 20 0 BFADMN Cc1cscc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635722030 346030869 /nfs/dbraw/zinc/03/08/69/346030869.db2.gz IFQWOFWCBLARTF-RKDXNWHRSA-N 0 1 247.323 2.522 20 0 BFADMN CC(C)[C@H](C)N(Cc1cocn1)C1CC1 ZINC000191059682 187313999 /nfs/dbraw/zinc/31/39/99/187313999.db2.gz CELACZGSDBLVSR-JTQLQIEISA-N 0 1 208.305 2.684 20 0 BFADMN CC1(C)CCC[C@H](NC(CF)CF)C1 ZINC000449377718 201895260 /nfs/dbraw/zinc/89/52/60/201895260.db2.gz BMRSLICDYKWISB-VIFPVBQESA-N 0 1 205.292 2.852 20 0 BFADMN CC(C)(NC[C@@H]1CCC=CO1)c1nccs1 ZINC000194445804 187316158 /nfs/dbraw/zinc/31/61/58/187316158.db2.gz KKZGHKZRDNVDBD-JTQLQIEISA-N 0 1 238.356 2.661 20 0 BFADMN CCO[C@H]1C[C@H]1NCc1cc(Cl)ccc1F ZINC000381498105 346149618 /nfs/dbraw/zinc/14/96/18/346149618.db2.gz BRAHHZAMAOMNLV-NEPJUHHUSA-N 0 1 243.709 2.746 20 0 BFADMN CCC(C)(C)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000563276756 323107637 /nfs/dbraw/zinc/10/76/37/323107637.db2.gz BDXNHLHPSFUHIC-CQSZACIVSA-N 0 1 241.375 2.999 20 0 BFADMN Cc1nc(CN2CCCC[C@@H](C)C2)[nH]c1C ZINC000628240486 346202334 /nfs/dbraw/zinc/20/23/34/346202334.db2.gz HHEFQJBTKKLIOM-SNVBAGLBSA-N 0 1 221.348 2.649 20 0 BFADMN Cc1c[nH]c(CN2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000628236791 346191788 /nfs/dbraw/zinc/19/17/88/346191788.db2.gz PSEQLXDVDHYGIJ-SMDDNHRTSA-N 0 1 233.359 2.730 20 0 BFADMN CC[C@@H](O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000151363103 346226151 /nfs/dbraw/zinc/22/61/51/346226151.db2.gz SWEJPESUZLWINP-CMPLNLGQSA-N 0 1 223.316 2.576 20 0 BFADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000626160205 346241845 /nfs/dbraw/zinc/24/18/45/346241845.db2.gz CUAQJGXTZZJKME-QAVQXKDTSA-N 0 1 220.316 2.853 20 0 BFADMN CC[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H](C)O1 ZINC000111273339 187317021 /nfs/dbraw/zinc/31/70/21/187317021.db2.gz BKGLMBALENKWMK-DZGCQCFKSA-N 0 1 233.355 2.994 20 0 BFADMN CCCc1csc(CNCCOC(C)C)n1 ZINC000336780079 187317187 /nfs/dbraw/zinc/31/71/87/187317187.db2.gz QIVMRRKFJHUFTQ-UHFFFAOYSA-N 0 1 242.388 2.610 20 0 BFADMN Cc1c[nH]c(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000628256183 346253694 /nfs/dbraw/zinc/25/36/94/346253694.db2.gz MMRXAFVUGBFTKA-LLVKDONJSA-N 0 1 221.348 2.729 20 0 BFADMN CC1=C[C@@H](C)CN(Cc2cnc(C3CC3)o2)C1 ZINC000628257343 346256348 /nfs/dbraw/zinc/25/63/48/346256348.db2.gz JMDKEIPHTOFAFU-SNVBAGLBSA-N 0 1 232.327 2.950 20 0 BFADMN c1cc([C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)ncn1 ZINC000365131618 187317913 /nfs/dbraw/zinc/31/79/13/187317913.db2.gz CWUVPNSHJDPZAR-ZIAGYGMSSA-N 0 1 243.354 2.765 20 0 BFADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000626164411 346271775 /nfs/dbraw/zinc/27/17/75/346271775.db2.gz FKVWKXZLVKZJAD-WSNITJDQSA-N 0 1 247.386 2.907 20 0 BFADMN C/C=C\C[C@H]1CCCN(Cc2cnns2)C1 ZINC000626164148 346276790 /nfs/dbraw/zinc/27/67/90/346276790.db2.gz XMCCKZUOYIVWHY-QUCGXOGASA-N 0 1 237.372 2.716 20 0 BFADMN Cc1c[nH]c(CN(C)C2CCC(F)(F)CC2)n1 ZINC000628281996 346293354 /nfs/dbraw/zinc/29/33/54/346293354.db2.gz JUEQWNFTBYYUTG-UHFFFAOYSA-N 0 1 243.301 2.728 20 0 BFADMN Cc1cccc(C)c1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000003750136 179035766 /nfs/dbraw/zinc/03/57/66/179035766.db2.gz CRRIFQKRYRIZIN-CYBMUJFWSA-N 0 1 247.338 2.600 20 0 BFADMN Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000003755698 179035782 /nfs/dbraw/zinc/03/57/82/179035782.db2.gz VPLVOSWFOPNGQH-AWEZNQCLSA-N 0 1 247.338 2.743 20 0 BFADMN Cc1cc(NC(=O)[C@@H](C)N(C)C)ccc1Cl ZINC000636141889 346332948 /nfs/dbraw/zinc/33/29/48/346332948.db2.gz CAVSSWUEOXQPPX-SECBINFHSA-N 0 1 240.734 2.537 20 0 BFADMN CCC1(C(=O)N(C)Cc2cn[nH]c2C)CCCC1 ZINC000636068247 346308948 /nfs/dbraw/zinc/30/89/48/346308948.db2.gz TWUJRJWDOXPAHN-UHFFFAOYSA-N 0 1 249.358 2.647 20 0 BFADMN CC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1cn[nH]c1C ZINC000636070842 346311727 /nfs/dbraw/zinc/31/17/27/346311727.db2.gz UHWFRAJWVTUMOF-YPMHNXCESA-N 0 1 249.358 2.503 20 0 BFADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC000636070675 346311884 /nfs/dbraw/zinc/31/18/84/346311884.db2.gz SAJUGCALKYYRBK-ZWNOBZJWSA-N 0 1 249.358 2.503 20 0 BFADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000636071532 346312117 /nfs/dbraw/zinc/31/21/17/346312117.db2.gz VFXCSPGQGGYHSB-UMSPYCQHSA-N 0 1 249.358 2.503 20 0 BFADMN CCC[C@H](C)CC(=O)N(C)Cc1cn[nH]c1C ZINC000636079110 346314356 /nfs/dbraw/zinc/31/43/56/346314356.db2.gz SGUAVTOYUYLRMP-JTQLQIEISA-N 0 1 237.347 2.503 20 0 BFADMN CCc1nc(CNC2(CC)CC2)cs1 ZINC000294902696 346318684 /nfs/dbraw/zinc/31/86/84/346318684.db2.gz XKHADMQHKXZQQD-UHFFFAOYSA-N 0 1 210.346 2.738 20 0 BFADMN CC[C@H]1CC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000381560910 346351229 /nfs/dbraw/zinc/35/12/29/346351229.db2.gz RDYSBRQJKHMBQS-WPRPVWTQSA-N 0 1 216.288 2.558 20 0 BFADMN CC[C@H]1CC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000381560910 346351231 /nfs/dbraw/zinc/35/12/31/346351231.db2.gz RDYSBRQJKHMBQS-WPRPVWTQSA-N 0 1 216.288 2.558 20 0 BFADMN CC[C@H]1CC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000381560909 346351343 /nfs/dbraw/zinc/35/13/43/346351343.db2.gz RDYSBRQJKHMBQS-WCBMZHEXSA-N 0 1 216.288 2.558 20 0 BFADMN CC[C@H]1CC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000381560909 346351346 /nfs/dbraw/zinc/35/13/46/346351346.db2.gz RDYSBRQJKHMBQS-WCBMZHEXSA-N 0 1 216.288 2.558 20 0 BFADMN Cc1ccncc1C[N@@H+](C)CCCCF ZINC000352394148 187367813 /nfs/dbraw/zinc/36/78/13/187367813.db2.gz JNZGPXPCLHMQFR-UHFFFAOYSA-N 0 1 210.296 2.572 20 0 BFADMN CCN(Cc1ccc(Cl)o1)C[C@H](C)OC ZINC000361020860 346383677 /nfs/dbraw/zinc/38/36/77/346383677.db2.gz AWFLDPGAGJOMQT-VIFPVBQESA-N 0 1 231.723 2.790 20 0 BFADMN Cc1cccc(CN(C)CC(C)(C)CO)c1F ZINC000294819936 179064046 /nfs/dbraw/zinc/06/40/46/179064046.db2.gz OTZDQNZIXIZFAF-UHFFFAOYSA-N 0 1 239.334 2.584 20 0 BFADMN Cc1ccc2c(c1)C[N@H+](C[C@H]1CCCCO1)C2 ZINC000336369845 187367221 /nfs/dbraw/zinc/36/72/21/187367221.db2.gz GXPFOONKZYBKOM-OAHLLOKOSA-N 0 1 231.339 2.880 20 0 BFADMN Cc1ccc2c(c1)CN(C[C@H]1CCCCO1)C2 ZINC000336369845 187367223 /nfs/dbraw/zinc/36/72/23/187367223.db2.gz GXPFOONKZYBKOM-OAHLLOKOSA-N 0 1 231.339 2.880 20 0 BFADMN Cc1cccc(CN(C)Cc2cnc(N)s2)c1 ZINC000094193051 179068627 /nfs/dbraw/zinc/06/86/27/179068627.db2.gz ZODWYBAZDNIVNH-UHFFFAOYSA-N 0 1 247.367 2.666 20 0 BFADMN CCc1nc(CN(CC)c2cccc(F)c2)n[nH]1 ZINC000158656979 346399507 /nfs/dbraw/zinc/39/95/07/346399507.db2.gz VRADLGWFCFHVCJ-UHFFFAOYSA-N 0 1 248.305 2.533 20 0 BFADMN Cc1cccc(CN(C)Cc2cncn2C)c1C ZINC000298452893 179069937 /nfs/dbraw/zinc/06/99/37/179069937.db2.gz ZXUXODIRNBTGEE-UHFFFAOYSA-N 0 1 243.354 2.669 20 0 BFADMN Cc1cccc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000032102947 179071139 /nfs/dbraw/zinc/07/11/39/179071139.db2.gz FVKZBFHPEPMWMS-UHFFFAOYSA-N 0 1 247.338 2.824 20 0 BFADMN Cc1cccc(C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000037595977 179071440 /nfs/dbraw/zinc/07/14/40/179071440.db2.gz DNLBNJOWMHDOFV-UHFFFAOYSA-N 0 1 235.327 2.680 20 0 BFADMN Cc1cccc(CN(C)CCSC(C)C)n1 ZINC000336666643 179066252 /nfs/dbraw/zinc/06/62/52/179066252.db2.gz KZPJFLNWDWLWMJ-UHFFFAOYSA-N 0 1 238.400 2.963 20 0 BFADMN Cc1cccc(CN(C)C[C@@H]2CCCO2)c1F ZINC000294622604 179067874 /nfs/dbraw/zinc/06/78/74/179067874.db2.gz YRKXSCJUVODALP-ZDUSSCGKSA-N 0 1 237.318 2.745 20 0 BFADMN CC(C)Cn1cc(CNC2(CF)CCC2)cn1 ZINC000574916336 346413120 /nfs/dbraw/zinc/41/31/20/346413120.db2.gz KPKLKEWGGFWKLQ-UHFFFAOYSA-N 0 1 239.338 2.521 20 0 BFADMN C[C@@H](N[C@H](C)C1CCSCC1)C(F)F ZINC000641792497 362727441 /nfs/dbraw/zinc/72/74/41/362727441.db2.gz WOOHOMQPPSQPGM-HTQZYQBOSA-N 0 1 223.332 2.761 20 0 BFADMN Cc1cccc(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000299119797 179080006 /nfs/dbraw/zinc/08/00/06/179080006.db2.gz UKGARJRZCANOEW-HUUCEWRRSA-N 0 1 231.339 2.748 20 0 BFADMN Cc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000156008636 179080704 /nfs/dbraw/zinc/08/07/04/179080704.db2.gz UUVZTMBENXVJQR-STQMWFEESA-N 0 1 219.328 2.604 20 0 BFADMN COC[C@@H]1CCC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000603413105 349961471 /nfs/dbraw/zinc/96/14/71/349961471.db2.gz CRWFURRFRZNSSQ-CHWSQXEVSA-N 0 1 234.343 2.501 20 0 BFADMN C[C@H](NC1CCC2(CC2)CC1)C(F)F ZINC000641791134 362730741 /nfs/dbraw/zinc/73/07/41/362730741.db2.gz DPHFIBTWLGDATL-QMMMGPOBSA-N 0 1 203.276 2.952 20 0 BFADMN C[C@]1(C2CCCCC2)CCN1C(=O)c1cnc[nH]1 ZINC000636386709 346439232 /nfs/dbraw/zinc/43/92/32/346439232.db2.gz LJKAUEAPUZYCPU-CQSZACIVSA-N 0 1 247.342 2.595 20 0 BFADMN CCCC[C@@H](CC)C[N@@H+](C)[C@H](C)CC(=O)[O-] ZINC000563450241 323126465 /nfs/dbraw/zinc/12/64/65/323126465.db2.gz DXRJNCOTZPPLKX-VXGBXAGGSA-N 0 1 229.364 2.998 20 0 BFADMN Cc1cccc(CNCc2cccc(F)c2)n1 ZINC000048329632 179094896 /nfs/dbraw/zinc/09/48/96/179094896.db2.gz TYLVQCMAVHPIAP-UHFFFAOYSA-N 0 1 230.286 2.819 20 0 BFADMN Cc1cccc(CN[C@H](C)c2cn[nH]c2)c1F ZINC000295546004 179099843 /nfs/dbraw/zinc/09/98/43/179099843.db2.gz XWHBVEMIGHTXTK-SNVBAGLBSA-N 0 1 233.290 2.708 20 0 BFADMN Cc1cccc(Cl)c1CN(C)[C@H]1CCOC1 ZINC000297483825 179108305 /nfs/dbraw/zinc/10/83/05/179108305.db2.gz LYABIKAUNAKCID-NSHDSACASA-N 0 1 239.746 2.869 20 0 BFADMN CC/C=C\CCSc1nnc(CC)[nH]1 ZINC000341568713 346526197 /nfs/dbraw/zinc/52/61/97/346526197.db2.gz ROPGNLYPRLIDEK-WAYWQWQTSA-N 0 1 211.334 2.816 20 0 BFADMN CC/C=C\CCSc1nc(CC)n[nH]1 ZINC000341568713 346526198 /nfs/dbraw/zinc/52/61/98/346526198.db2.gz 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/nfs/dbraw/zinc/09/82/61/202098261.db2.gz MFCYQVHGZLEZJS-UHFFFAOYSA-N 0 1 249.280 2.677 20 0 BFADMN C[C@H]1CN(CC/C=C\c2ccccc2)CCO1 ZINC000450214699 202098883 /nfs/dbraw/zinc/09/88/83/202098883.db2.gz IGVRHAKZLYTJEW-UQYHUFHVSA-N 0 1 231.339 2.811 20 0 BFADMN O=C(CNC1(C2CCC2)CC1)c1ccccc1F ZINC000639734681 356627563 /nfs/dbraw/zinc/62/75/63/356627563.db2.gz YIPSLGBQBKOBHF-UHFFFAOYSA-N 0 1 247.313 2.931 20 0 BFADMN C[C@H]1COCCN1CCc1ccc(Cl)cc1 ZINC000450253243 202109479 /nfs/dbraw/zinc/10/94/79/202109479.db2.gz COEABRBHGQRRML-NSHDSACASA-N 0 1 239.746 2.603 20 0 BFADMN CC[C@H](C)[C@@H](C)N(Cc1cnns1)C1CC1 ZINC000450357744 202142667 /nfs/dbraw/zinc/14/26/67/202142667.db2.gz NGQVDEJQPBLHRO-VHSXEESVSA-N 0 1 239.388 2.937 20 0 BFADMN CCc1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000033465419 356701062 /nfs/dbraw/zinc/70/10/62/356701062.db2.gz FEXPNZQASIDUHC-UHFFFAOYSA-N 0 1 235.327 2.546 20 0 BFADMN CN(Cc1ccns1)[C@H]1C=CCCC1 ZINC000639789518 356742135 /nfs/dbraw/zinc/74/21/35/356742135.db2.gz PCDZWNGRKIEMCQ-JTQLQIEISA-N 0 1 208.330 2.684 20 0 BFADMN CCCC[C@H](CC)CN1CC[S@](=O)[C@@H](C)C1 ZINC000355021339 356747767 /nfs/dbraw/zinc/74/77/67/356747767.db2.gz ZYZHWRLOMVUTQN-XEZPLFJOSA-N 0 1 245.432 2.656 20 0 BFADMN CCc1cnc(CN[C@H]2CCC[C@@H]2CC)o1 ZINC000231633801 538627843 /nfs/dbraw/zinc/62/78/43/538627843.db2.gz ZNCVEZNDRYBOIR-JQWIXIFHSA-N 0 1 222.332 2.905 20 0 BFADMN CC(C)c1cc(C(=O)N(C)[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000336053387 535344518 /nfs/dbraw/zinc/34/45/18/535344518.db2.gz NUJVQJUVVAYVQG-QWRGUYRKSA-N 0 1 249.358 2.794 20 0 BFADMN Cc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054344050 363566854 /nfs/dbraw/zinc/56/68/54/363566854.db2.gz VICPAPFNEUKWSB-LSDHHAIUSA-N 0 1 231.339 2.748 20 0 BFADMN CC[C@H](CC(F)(F)F)NCc1nccs1 ZINC000379914711 538671928 /nfs/dbraw/zinc/67/19/28/538671928.db2.gz BCWJLSRWZYSNGY-SSDOTTSWSA-N 0 1 238.278 2.964 20 0 BFADMN C[C@@H]1OCCN(CC2=CCCCC2)[C@H]1C ZINC000450505414 202187011 /nfs/dbraw/zinc/18/70/11/202187011.db2.gz YUYGFKDLLDNDPQ-RYUDHWBXSA-N 0 1 209.333 2.596 20 0 BFADMN C[C@H](NCc1nnc(C2CC2)s1)C(C)(C)C ZINC000450568101 202202183 /nfs/dbraw/zinc/20/21/83/202202183.db2.gz UUVFOVJZNBZIQO-QMMMGPOBSA-N 0 1 239.388 2.940 20 0 BFADMN CCN(Cc1ncc(C)n1C)CC(C)(C)C ZINC000361022540 356915866 /nfs/dbraw/zinc/91/58/66/356915866.db2.gz NWHUGUHJOSWONY-UHFFFAOYSA-N 0 1 223.364 2.597 20 0 BFADMN CC1(C)C[C@@H]1N[C@@H]1CCCc2scnc21 ZINC000623932919 356924431 /nfs/dbraw/zinc/92/44/31/356924431.db2.gz IUFNOUVUWGXEJJ-SCZZXKLOSA-N 0 1 222.357 2.909 20 0 BFADMN C[C@H](NC/C=C/c1ccccc1)c1ncc[nH]1 ZINC000353535976 538749322 /nfs/dbraw/zinc/74/93/22/538749322.db2.gz WWHRLSGYFIQXPY-ZCRIDZFUSA-N 0 1 227.311 2.774 20 0 BFADMN CCN(Cc1ccsc1Cl)CC(C)(C)O ZINC000361548473 356932481 /nfs/dbraw/zinc/93/24/81/356932481.db2.gz KFIQNYOHIUIJIM-UHFFFAOYSA-N 0 1 247.791 2.994 20 0 BFADMN CCC(C)(C)CCN1CC[S@@](=O)CC1(C)C ZINC000348212952 535351026 /nfs/dbraw/zinc/35/10/26/535351026.db2.gz UUZQVOATPIERIW-MRXNPFEDSA-N 0 1 245.432 2.656 20 0 BFADMN CC(C)=CCCN1CCC[C@@H]1c1ncccn1 ZINC000639874197 357053124 /nfs/dbraw/zinc/05/31/24/357053124.db2.gz XOLYKTDVIJPPCE-CYBMUJFWSA-N 0 1 231.343 2.970 20 0 BFADMN FC1(F)CC(NCc2cnc(C3CC3)s2)C1 ZINC000390750686 357115187 /nfs/dbraw/zinc/11/51/87/357115187.db2.gz CXNISSZCZLLMLV-UHFFFAOYSA-N 0 1 244.310 2.908 20 0 BFADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(Cl)cn1 ZINC000390460387 357094821 /nfs/dbraw/zinc/09/48/21/357094821.db2.gz FMWXHLOYFRRRKR-KPXOXKRLSA-N 0 1 240.734 2.563 20 0 BFADMN c1csc([C@H](NCc2cnccn2)C2CC2)c1 ZINC000582406044 357135008 /nfs/dbraw/zinc/13/50/08/357135008.db2.gz XCMJKMFLIHWQRG-CYBMUJFWSA-N 0 1 245.351 2.779 20 0 BFADMN Cc1nnc(CN[C@@H](C)CC(C)(C)C)s1 ZINC000391880963 357135411 /nfs/dbraw/zinc/13/54/11/357135411.db2.gz WRURUYOJWJVSQB-QMMMGPOBSA-N 0 1 227.377 2.761 20 0 BFADMN Cc1csc([C@H](C)N[C@@H]2CSC2(C)C)n1 ZINC000623979857 357136843 /nfs/dbraw/zinc/13/68/43/357136843.db2.gz NXRVJPQAJWZVQF-DTWKUNHWSA-N 0 1 242.413 2.996 20 0 BFADMN CC[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000582426176 357146078 /nfs/dbraw/zinc/14/60/78/357146078.db2.gz DDQFTNYGXVEZQW-SWLSCSKDSA-N 0 1 247.338 2.513 20 0 BFADMN CC(C)n1ncnc1CNCC[C@H]1CC=CCC1 ZINC000631181417 357163339 /nfs/dbraw/zinc/16/33/39/357163339.db2.gz DAJRFKXKOUDQQC-ZDUSSCGKSA-N 0 1 248.374 2.695 20 0 BFADMN C[C@H](Cc1ccsc1)[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000543987172 325125036 /nfs/dbraw/zinc/12/50/36/325125036.db2.gz YHMIABLWCLQBFY-IJLUTSLNSA-N 0 1 239.384 2.788 20 0 BFADMN C[C@H](Cc1ccsc1)N1C[C@@H](C)OC[C@H]1C ZINC000543987172 325125039 /nfs/dbraw/zinc/12/50/39/325125039.db2.gz YHMIABLWCLQBFY-IJLUTSLNSA-N 0 1 239.384 2.788 20 0 BFADMN Cc1cccc(Cl)c1C[N@@H+](C)CCC(=O)[O-] ZINC000583705248 357284375 /nfs/dbraw/zinc/28/43/75/357284375.db2.gz OTHGULCTXUWWGO-UHFFFAOYSA-N 0 1 241.718 2.555 20 0 BFADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc(C)oc1C ZINC000393796486 357300194 /nfs/dbraw/zinc/30/01/94/357300194.db2.gz ISESFHJGAGVONZ-ZWKOPEQDSA-N 0 1 223.316 2.724 20 0 BFADMN CCn1nccc1CN1CCCC(F)(F)CC1 ZINC000628422320 357243056 /nfs/dbraw/zinc/24/30/56/357243056.db2.gz XCNFKNKGQRFJKK-UHFFFAOYSA-N 0 1 243.301 2.524 20 0 BFADMN C[N@@H+](Cc1coc2ccccc12)CC1(C)COC1 ZINC000628424012 357249811 /nfs/dbraw/zinc/24/98/11/357249811.db2.gz UHQKCJIJAKNLSM-UHFFFAOYSA-N 0 1 245.322 2.901 20 0 BFADMN C[C@@H](Cc1ccccc1)CN1CC2(C1)CCCO2 ZINC000628427354 357257218 /nfs/dbraw/zinc/25/72/18/357257218.db2.gz WRCZWOQBJHSETP-AWEZNQCLSA-N 0 1 245.366 2.730 20 0 BFADMN CCC(C)(C)[C@@H](C)NCc1nnc(C)s1 ZINC000582529003 357335652 /nfs/dbraw/zinc/33/56/52/357335652.db2.gz SRHYTABROCNKQV-MRVPVSSYSA-N 0 1 227.377 2.761 20 0 BFADMN CCc1nc(CN(C)C[C@H]2C[C@@H]2C)cs1 ZINC000582641659 357352348 /nfs/dbraw/zinc/35/23/48/357352348.db2.gz HFLGWXRXLIJTJZ-VHSXEESVSA-N 0 1 224.373 2.793 20 0 BFADMN COC(=O)[C@@H](C)N(C)CCCC1CCCCC1 ZINC000582692778 357369001 /nfs/dbraw/zinc/36/90/01/357369001.db2.gz ISMGVJQVWDMYOC-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN CC(C)(CNc1ncnc2[nH]cnc21)C1CCC1 ZINC000395456388 357441724 /nfs/dbraw/zinc/44/17/24/357441724.db2.gz RCGZWKJHEWDJBX-UHFFFAOYSA-N 0 1 245.330 2.543 20 0 BFADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1 ZINC000216600642 357447416 /nfs/dbraw/zinc/44/74/16/357447416.db2.gz LWCYNJBZRVUYMM-GFCCVEGCSA-N 0 1 239.290 2.511 20 0 BFADMN CCCC[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000011951994 357451461 /nfs/dbraw/zinc/45/14/61/357451461.db2.gz ONEIFDYQYKTTOL-UHFFFAOYSA-N 0 1 221.300 2.617 20 0 BFADMN Cc1cc([C@@H](C)NCCc2ccc(C)nc2)no1 ZINC000583062703 357471644 /nfs/dbraw/zinc/47/16/44/357471644.db2.gz BYOALEFSAAVVDG-GFCCVEGCSA-N 0 1 245.326 2.580 20 0 BFADMN Cc1ccnc(NCCC(F)(F)F)c1 ZINC000063100504 357525854 /nfs/dbraw/zinc/52/58/54/357525854.db2.gz PCHFANUPIZOGMW-UHFFFAOYSA-N 0 1 204.195 2.754 20 0 BFADMN Cc1ccccc1CNCc1cncc(F)c1 ZINC000230938217 357579526 /nfs/dbraw/zinc/57/95/26/357579526.db2.gz KVQBRCLAKWCCHU-UHFFFAOYSA-N 0 1 230.286 2.819 20 0 BFADMN CC[C@H](C)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000188921180 357590674 /nfs/dbraw/zinc/59/06/74/357590674.db2.gz WSALSMMVJAMVMK-NSHDSACASA-N 0 1 249.358 2.518 20 0 BFADMN CCCN(C)CC(=O)Nc1c(C)cccc1CC ZINC000063761680 357717550 /nfs/dbraw/zinc/71/75/50/357717550.db2.gz XYSJXOUQHPWTOA-UHFFFAOYSA-N 0 1 248.370 2.838 20 0 BFADMN CCCn1cc(CNCc2cscc2C)cn1 ZINC000233424981 357723806 /nfs/dbraw/zinc/72/38/06/357723806.db2.gz FKLYYMFSMMJBDB-UHFFFAOYSA-N 0 1 249.383 2.953 20 0 BFADMN CCN(Cc1cn(C(C)(C)C)nn1)CC(C)C ZINC000191231041 357759186 /nfs/dbraw/zinc/75/91/86/357759186.db2.gz OPNZVHGJIDLBAR-UHFFFAOYSA-N 0 1 238.379 2.511 20 0 BFADMN COC[C@@H](C)N1CC(C)(C)[C@H]1c1ccco1 ZINC000639925520 357829044 /nfs/dbraw/zinc/82/90/44/357829044.db2.gz ATJSYGNPEMIKPY-ZYHUDNBSSA-N 0 1 223.316 2.697 20 0 BFADMN CO[C@H](C)CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930058 357908012 /nfs/dbraw/zinc/90/80/12/357908012.db2.gz SMMBDTJZDQYYPL-PWSUYJOCSA-N 0 1 223.316 2.697 20 0 BFADMN CO[C@@H](C)CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639930055 357908056 /nfs/dbraw/zinc/90/80/56/357908056.db2.gz SMMBDTJZDQYYPL-CMPLNLGQSA-N 0 1 223.316 2.697 20 0 BFADMN CCC(C)(C)CCN(CC(=O)OC)C(C)C ZINC000610390219 357908427 /nfs/dbraw/zinc/90/84/27/357908427.db2.gz LLRVUPGUKMSNTQ-UHFFFAOYSA-N 0 1 229.364 2.696 20 0 BFADMN CSCCN1CC[C@@H]1c1cccc(F)c1 ZINC000610511796 357964945 /nfs/dbraw/zinc/96/49/45/357964945.db2.gz DUYYGIZRLDEUPS-GFCCVEGCSA-N 0 1 225.332 2.936 20 0 BFADMN CCC(F)(F)CNC1CC2(CCC2)C1 ZINC000628435784 357998100 /nfs/dbraw/zinc/99/81/00/357998100.db2.gz ZYBNKBOAOQKLRG-UHFFFAOYSA-N 0 1 203.276 2.954 20 0 BFADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC)CC1 ZINC000219116883 357978969 /nfs/dbraw/zinc/97/89/69/357978969.db2.gz LFYGMYJJTRVXGR-NEPJUHHUSA-N 0 1 227.348 2.752 20 0 BFADMN CCC[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000035415396 357980291 /nfs/dbraw/zinc/98/02/91/357980291.db2.gz QGOLVMLZPVRCHX-UHFFFAOYSA-N 0 1 233.311 2.759 20 0 BFADMN C[C@]1(NCc2cscc2Cl)CCOC1 ZINC000307534960 491118649 /nfs/dbraw/zinc/11/86/49/491118649.db2.gz HWELRVXGEPLGBP-JTQLQIEISA-N 0 1 231.748 2.670 20 0 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JDAADEMTYWRQHL-UHFFFAOYSA-N 0 1 248.374 2.693 20 0 BFADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1 ZINC000222487401 387934937 /nfs/dbraw/zinc/93/49/37/387934937.db2.gz JLFDLXPTOFDKQA-ZJUUUORDSA-N 0 1 233.290 2.961 20 0 BFADMN F[C@@]1(c2ccccc2)C[C@@H]1NCC1=CCCOC1 ZINC000424198421 387927514 /nfs/dbraw/zinc/92/75/14/387927514.db2.gz PEGKSPVHPJJQEB-LSDHHAIUSA-N 0 1 247.313 2.560 20 0 BFADMN CCn1ccnc1CN1CCCCC(C)(C)C1 ZINC000438361474 387927863 /nfs/dbraw/zinc/92/78/63/387927863.db2.gz ARPXUYJWAQVPHF-UHFFFAOYSA-N 0 1 235.375 2.915 20 0 BFADMN CC[C@H](C)NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000245384724 387942530 /nfs/dbraw/zinc/94/25/30/387942530.db2.gz XQNGNQQUJYSISU-QWHCGFSZSA-N 0 1 248.370 2.594 20 0 BFADMN COC[C@H](NCC=C(C)C)c1ccc(C)o1 ZINC000184711033 387948941 /nfs/dbraw/zinc/94/89/41/387948941.db2.gz KLDMXLJOPBVLNH-LBPRGKRZSA-N 0 1 223.316 2.831 20 0 BFADMN COc1ccnc(CN[C@H](C)CC2CCCC2)n1 ZINC000424305723 387961477 /nfs/dbraw/zinc/96/14/77/387961477.db2.gz FJDCRFUOSWIFEC-LLVKDONJSA-N 0 1 249.358 2.544 20 0 BFADMN CCCC(CCC)NCc1nccc(OC)n1 ZINC000424313388 387965647 /nfs/dbraw/zinc/96/56/47/387965647.db2.gz YFUBKHWBQNQZGM-UHFFFAOYSA-N 0 1 237.347 2.544 20 0 BFADMN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)[C@@H]1CCCO1 ZINC000424315213 387966184 /nfs/dbraw/zinc/96/61/84/387966184.db2.gz DHAHQKAAPWCFHE-MHEUCROKSA-N 0 1 249.329 2.781 20 0 BFADMN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)[C@H]1CCCO1 ZINC000424315214 387966203 /nfs/dbraw/zinc/96/62/03/387966203.db2.gz DHAHQKAAPWCFHE-MYPMTAMASA-N 0 1 249.329 2.781 20 0 BFADMN CN(Cc1cncn1Cc1ccccc1)C1CC1 ZINC000445796798 387968775 /nfs/dbraw/zinc/96/87/75/387968775.db2.gz BJVBZTFHZBAADI-UHFFFAOYSA-N 0 1 241.338 2.526 20 0 BFADMN Cc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000065427432 387971600 /nfs/dbraw/zinc/97/16/00/387971600.db2.gz HHLQYGVHTVEYTM-CYBMUJFWSA-N 0 1 233.355 2.994 20 0 BFADMN CC(C)OC(=O)[C@@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000245688352 387972750 /nfs/dbraw/zinc/97/27/50/387972750.db2.gz AZOZTEMIPIKPMD-CHWSQXEVSA-N 0 1 239.359 2.615 20 0 BFADMN COc1cc(CN[C@H](C)CF)ccc1SC ZINC000288324139 387973258 /nfs/dbraw/zinc/97/32/58/387973258.db2.gz ADXIAXLGUPKVTD-SECBINFHSA-N 0 1 243.347 2.865 20 0 BFADMN CCCN1CCCC[C@@H]1c1nccn1CC ZINC000439013732 387975819 /nfs/dbraw/zinc/97/58/19/387975819.db2.gz XGNXJPIOUWHXLE-GFCCVEGCSA-N 0 1 221.348 2.840 20 0 BFADMN CCOC1CC(N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424333468 387976481 /nfs/dbraw/zinc/97/64/81/387976481.db2.gz XNBMIKCUCWRDCG-NEXFUWMNSA-N 0 1 249.329 2.781 20 0 BFADMN CC[C@H](N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(F)F ZINC000424356149 387988211 /nfs/dbraw/zinc/98/82/11/387988211.db2.gz UWTVAGPLOKITCE-KQSJRHEJSA-N 0 1 247.329 2.823 20 0 BFADMN C[C@@H]1[C@@H](C)CN1CCc1c(F)cccc1F ZINC000645923100 387982032 /nfs/dbraw/zinc/98/20/32/387982032.db2.gz HHJGGKHGILURQU-VHSXEESVSA-N 0 1 225.282 2.848 20 0 BFADMN CCc1nocc1CN(C)CC1=CCCC1 ZINC000645923247 387984201 /nfs/dbraw/zinc/98/42/01/387984201.db2.gz OPQDLCULEYPJGL-UHFFFAOYSA-N 0 1 220.316 2.779 20 0 BFADMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccncn1 ZINC000453190418 388006561 /nfs/dbraw/zinc/00/65/61/388006561.db2.gz CPFARHRIGDSREF-DTWKUNHWSA-N 0 1 247.264 2.858 20 0 BFADMN CCn1ccnc1[C@H](C)NC[C@@H](C)C(F)(F)F ZINC000453197995 388007611 /nfs/dbraw/zinc/00/76/11/388007611.db2.gz HFVRZKOVDOOEMV-BDAKNGLRSA-N 0 1 249.280 2.752 20 0 BFADMN CC[C@H](C)CN1CCO[C@@H](c2ccco2)C1 ZINC000246258451 388024915 /nfs/dbraw/zinc/02/49/15/388024915.db2.gz QICFCPLCCKCOAP-WCQYABFASA-N 0 1 223.316 2.699 20 0 BFADMN CC[C@@H](NCCC(C)(F)F)c1ccn(C)n1 ZINC000453214529 388011877 /nfs/dbraw/zinc/01/18/77/388011877.db2.gz DLVHNZOSZBEZRJ-SECBINFHSA-N 0 1 231.290 2.506 20 0 BFADMN COC1(CN[C@@H](C)c2cc(C)on2)CCCC1 ZINC000453226760 388015425 /nfs/dbraw/zinc/01/54/25/388015425.db2.gz PBYFAYOPMDOHFC-NSHDSACASA-N 0 1 238.331 2.593 20 0 BFADMN CC[C@H](C)[C@H](CN[C@@H](C)c1cc(C)on1)OC ZINC000453287402 388034776 /nfs/dbraw/zinc/03/47/76/388034776.db2.gz LEAQAVJUGHTGRL-GAFUQQFSSA-N 0 1 240.347 2.695 20 0 BFADMN Cc1c(Cl)c(CNCCC(C)(C)C)nn1C ZINC000421334218 388027384 /nfs/dbraw/zinc/02/73/84/388027384.db2.gz PLYCAGTWGXTKJQ-UHFFFAOYSA-N 0 1 243.782 2.908 20 0 BFADMN COCC[C@@H]1CCC[C@@H]1N[C@H](C)C(C)(F)F ZINC000453275693 388031232 /nfs/dbraw/zinc/03/12/32/388031232.db2.gz BUBMKLVVCCQZQG-VWYCJHECSA-N 0 1 235.318 2.825 20 0 BFADMN C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC(=O)[O-] ZINC000083662665 388057378 /nfs/dbraw/zinc/05/73/78/388057378.db2.gz BBKKRBNCGQMUBO-NSHDSACASA-N 0 1 243.306 2.917 20 0 BFADMN CCC1CCC([N@@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000083662611 388057587 /nfs/dbraw/zinc/05/75/87/388057587.db2.gz KNJCEZXZVGBUIH-UHFFFAOYSA-N 0 1 239.359 2.894 20 0 BFADMN C(c1nc2c(s1)CCC2)N1CC[C@@H]1C1CC1 ZINC000648699723 388062208 /nfs/dbraw/zinc/06/22/08/388062208.db2.gz IZQBNLUZEFDXGY-LLVKDONJSA-N 0 1 234.368 2.616 20 0 BFADMN COc1cccc(CN2CC[C@@H]2C2CC2)c1F ZINC000648699766 388062371 /nfs/dbraw/zinc/06/23/71/388062371.db2.gz OAZPYJSHWXCMDO-GFCCVEGCSA-N 0 1 235.302 2.819 20 0 BFADMN CC[C@@H](F)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000440689781 388065256 /nfs/dbraw/zinc/06/52/56/388065256.db2.gz CUIYAAYDUZJCFI-OLZOCXBDSA-N 0 1 239.338 2.577 20 0 BFADMN CC[C@H](F)CN1CCc2ccccc2C1 ZINC000440691099 388066541 /nfs/dbraw/zinc/06/65/41/388066541.db2.gz GRNRLPBBWPLCEW-ZDUSSCGKSA-N 0 1 207.292 2.793 20 0 BFADMN CSCCc1nc2ccc(C)cc2[nH]1 ZINC000069985592 388077216 /nfs/dbraw/zinc/07/72/16/388077216.db2.gz AGHRQCYFSMRYAG-UHFFFAOYSA-N 0 1 206.314 2.777 20 0 BFADMN COc1cc(CN2CC[C@@](C)(F)C2)ccc1C ZINC000447728204 388089327 /nfs/dbraw/zinc/08/93/27/388089327.db2.gz DLQHFKDGDWBXFI-CQSZACIVSA-N 0 1 237.318 2.938 20 0 BFADMN CCC1CN(Cc2cc(C)ccc2F)C1 ZINC000453599924 388090422 /nfs/dbraw/zinc/09/04/22/388090422.db2.gz DFAJHUKRSKQRHM-UHFFFAOYSA-N 0 1 207.292 2.976 20 0 BFADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1ncc(C)n1C ZINC000453603181 388090972 /nfs/dbraw/zinc/09/09/72/388090972.db2.gz ATDIGTXJLXTWLU-JSGCOSHPSA-N 0 1 235.375 2.643 20 0 BFADMN C[C@H](CC[N@@H+](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000086756485 388108348 /nfs/dbraw/zinc/10/83/48/388108348.db2.gz CHFHJNHZHKOKOG-NEPJUHHUSA-N 0 1 235.327 2.585 20 0 BFADMN CCc1ccc([C@H](CO)NC[C@@H](F)CC)cc1 ZINC000440506586 388046503 /nfs/dbraw/zinc/04/65/03/388046503.db2.gz RQHNGOIYXZDRBS-KBPBESRZSA-N 0 1 239.334 2.620 20 0 BFADMN CC/C=C\CN[C@H](C)c1ccncc1F ZINC000453333108 388048946 /nfs/dbraw/zinc/04/89/46/388048946.db2.gz WUJJNZXBNJTTBA-UMCURTJPSA-N 0 1 208.280 2.838 20 0 BFADMN CC(C)C[C@@H](N)c1noc(-c2ccccc2)n1 ZINC000083329896 388048980 /nfs/dbraw/zinc/04/89/80/388048980.db2.gz ZJSMEHNNLZJJKU-LLVKDONJSA-N 0 1 231.299 2.783 20 0 BFADMN CC(C)C[C@H](N)c1noc(-c2ccccc2)n1 ZINC000083329894 388049655 /nfs/dbraw/zinc/04/96/55/388049655.db2.gz ZJSMEHNNLZJJKU-NSHDSACASA-N 0 1 231.299 2.783 20 0 BFADMN C[C@H](Cc1ccoc1)N[C@H](C)c1ccon1 ZINC000449237219 388160216 /nfs/dbraw/zinc/16/02/16/388160216.db2.gz NIOLXKULVJLSII-NXEZZACHSA-N 0 1 220.272 2.549 20 0 BFADMN C[C@H](Cc1ccoc1)N[C@@H](C)c1ccon1 ZINC000449237222 388160442 /nfs/dbraw/zinc/16/04/42/388160442.db2.gz NIOLXKULVJLSII-ZJUUUORDSA-N 0 1 220.272 2.549 20 0 BFADMN Cc1cc(CNC(C)(C)CF)cs1 ZINC000449247541 388161489 /nfs/dbraw/zinc/16/14/89/388161489.db2.gz GHKMSGGFFIDRAH-UHFFFAOYSA-N 0 1 201.310 2.894 20 0 BFADMN C[C@@H]1CCCC[C@@H]1CNC(CF)CF ZINC000449379395 388187850 /nfs/dbraw/zinc/18/78/50/388187850.db2.gz HWVMCGSMDPBMKH-NXEZZACHSA-N 0 1 205.292 2.710 20 0 BFADMN CCn1ccnc1C[N@@H+](CC(C)C)C1CC1 ZINC000195514366 388165577 /nfs/dbraw/zinc/16/55/77/388165577.db2.gz XEAHMFQETKGFFK-UHFFFAOYSA-N 0 1 221.348 2.523 20 0 BFADMN CCn1ccnc1CN(CC(C)C)C1CC1 ZINC000195514366 388165580 /nfs/dbraw/zinc/16/55/80/388165580.db2.gz XEAHMFQETKGFFK-UHFFFAOYSA-N 0 1 221.348 2.523 20 0 BFADMN CC[C@H]1CCN1Cc1cc(F)cc(OC)c1 ZINC000449338024 388176126 /nfs/dbraw/zinc/17/61/26/388176126.db2.gz DRXKSJBDAAJPQZ-LBPRGKRZSA-N 0 1 223.291 2.819 20 0 BFADMN CC/C=C\CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000456086580 388176688 /nfs/dbraw/zinc/17/66/88/388176688.db2.gz CCAMMBQTXZAMFC-PLNGDYQASA-N 0 1 243.310 2.567 20 0 BFADMN C[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)[C@@H](C)O1 ZINC000449342645 388176884 /nfs/dbraw/zinc/17/68/84/388176884.db2.gz CZXBVWIINYSFHY-GIPNMCIBSA-N 0 1 232.327 2.548 20 0 BFADMN CC[C@H](N[C@@H](C)CC1CCOCC1)C(F)F ZINC000449365443 388183562 /nfs/dbraw/zinc/18/35/62/388183562.db2.gz VWSRMICAHLNSLZ-ONGXEEELSA-N 0 1 235.318 2.825 20 0 BFADMN Cc1cc([C@@H](C)NCc2cncnc2)ccc1F ZINC000449374057 388185356 /nfs/dbraw/zinc/18/53/56/388185356.db2.gz WFEAIBHIFFRHPU-LLVKDONJSA-N 0 1 245.301 2.775 20 0 BFADMN CCC[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000466463393 388118634 /nfs/dbraw/zinc/11/86/34/388118634.db2.gz JQXWHNXNGWYBGO-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN CN(Cc1ccnn1C1CCCC1)C1CC1 ZINC000449008786 388127341 /nfs/dbraw/zinc/12/73/41/388127341.db2.gz FLMWRHFNFXOVPY-UHFFFAOYSA-N 0 1 219.332 2.592 20 0 BFADMN Cc1cccc(CCN2CCOC(C)(C)C2)c1 ZINC000449013040 388129806 /nfs/dbraw/zinc/12/98/06/388129806.db2.gz JFOFLCFJFAFBAM-UHFFFAOYSA-N 0 1 233.355 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ZINC000449035975 388134222 /nfs/dbraw/zinc/13/42/22/388134222.db2.gz QXUKPRXNPAIIQH-UHFFFAOYSA-N 0 1 238.400 2.583 20 0 BFADMN CCc1nnc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000646137534 388152848 /nfs/dbraw/zinc/15/28/48/388152848.db2.gz KNULNHNVOOBOBR-GFCCVEGCSA-N 0 1 249.358 2.787 20 0 BFADMN Cc1cnc(CN2CCCC[C@H]2C2CCC2)nc1 ZINC000646139027 388153897 /nfs/dbraw/zinc/15/38/97/388153897.db2.gz FYEWZMAVMFANQN-AWEZNQCLSA-N 0 1 245.370 2.940 20 0 BFADMN CO[C@H](C)[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000167459011 388256609 /nfs/dbraw/zinc/25/66/09/388256609.db2.gz SDMQHWIMDDLLLX-DJLDLDEBSA-N 0 1 228.361 2.526 20 0 BFADMN CC(C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488952048 388200034 /nfs/dbraw/zinc/20/00/34/388200034.db2.gz WTRBFVODWBAXAL-MRVPVSSYSA-N 0 1 249.289 2.933 20 0 BFADMN CCn1nc(C)c(C[N@H+]2CC[C@H]2C2CC2)c1C ZINC000449423667 388201853 /nfs/dbraw/zinc/20/18/53/388201853.db2.gz BKKAVVJKIGWDOP-AWEZNQCLSA-N 0 1 233.359 2.504 20 0 BFADMN COc1cc(C)c(C[N@H+]2CC[C@@H]2C2CC2)c(C)n1 ZINC000449423650 388202231 /nfs/dbraw/zinc/20/22/31/388202231.db2.gz BCYXHSQGSTYBNL-CQSZACIVSA-N 0 1 246.354 2.691 20 0 BFADMN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(Cl)o1 ZINC000449431366 388204835 /nfs/dbraw/zinc/20/48/35/388204835.db2.gz XWBZLMSDHISBNV-MWLCHTKSSA-N 0 1 243.734 2.526 20 0 BFADMN CCCCC[C@@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC000489304519 388207580 /nfs/dbraw/zinc/20/75/80/388207580.db2.gz ZTIYZIUCTWAFJO-GFCCVEGCSA-N 0 1 249.358 2.903 20 0 BFADMN C[C@@]12CN(Cc3cscn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449450029 388209650 /nfs/dbraw/zinc/20/96/50/388209650.db2.gz NNLBVPKPUBBEQL-WVWOOGAGSA-N 0 1 246.379 2.787 20 0 BFADMN CC/C=C\CNCc1nccn1-c1ccccc1 ZINC000449455118 388210071 /nfs/dbraw/zinc/21/00/71/388210071.db2.gz KTELJSFIFLUHAE-CLTKARDFSA-N 0 1 241.338 2.928 20 0 BFADMN CCCCC[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000489386171 388210684 /nfs/dbraw/zinc/21/06/84/388210684.db2.gz DCMUYFCMIRIMBS-LLVKDONJSA-N 0 1 235.331 2.595 20 0 BFADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)C1CCCC1 ZINC000456672639 388215252 /nfs/dbraw/zinc/21/52/52/388215252.db2.gz YSNLVZJHBCVEDC-GFCCVEGCSA-N 0 1 249.358 2.725 20 0 BFADMN Cc1ccnc([C@@H](C)NCc2cnccc2C)c1 ZINC000449519223 388222365 /nfs/dbraw/zinc/22/23/65/388222365.db2.gz BISHDZAZVDIQCN-CYBMUJFWSA-N 0 1 241.338 2.944 20 0 BFADMN CN(Cc1nc(C2CC2)no1)C1(C)CCCC1 ZINC000489880760 388227304 /nfs/dbraw/zinc/22/73/04/388227304.db2.gz GVJOQPZYBWTQLK-UHFFFAOYSA-N 0 1 235.331 2.712 20 0 BFADMN CC(C)c1nnc(CN(C)C2(C)CCCC2)o1 ZINC000489886335 388227356 /nfs/dbraw/zinc/22/73/56/388227356.db2.gz MCGWBAYZPQWZQE-UHFFFAOYSA-N 0 1 237.347 2.958 20 0 BFADMN O=C([O-])C1(C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000518201423 256562490 /nfs/dbraw/zinc/56/24/90/256562490.db2.gz ZHAAQFHONNEVPY-CYBMUJFWSA-N 0 1 245.322 2.688 20 0 BFADMN Cc1cc(F)c(CN[C@H](C)CCO)c(Cl)c1 ZINC000459448183 388244862 /nfs/dbraw/zinc/24/48/62/388244862.db2.gz RTMJTLDIQVPPIM-SECBINFHSA-N 0 1 245.725 2.648 20 0 BFADMN CC[C@@H]1CN(CC)CC[N@H+]1CCSC(C)C ZINC000451742336 388292528 /nfs/dbraw/zinc/29/25/28/388292528.db2.gz RCEKEWDSZGGUQP-CYBMUJFWSA-N 0 1 244.448 2.544 20 0 BFADMN CC1(CN2CC3(CCC3)[C@@H]2c2ccco2)COC1 ZINC000451838303 388299456 /nfs/dbraw/zinc/29/94/56/388299456.db2.gz BPIXMJXGLKUXMY-ZDUSSCGKSA-N 0 1 247.338 2.843 20 0 BFADMN COC[C@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451862517 388301876 /nfs/dbraw/zinc/30/18/76/388301876.db2.gz VNTCNVYSAFRQAS-AAEUAGOBSA-N 0 1 235.327 2.842 20 0 BFADMN CCCN(C)c1cc(C(C)C)nc(N(C)C)n1 ZINC000462803399 388271532 /nfs/dbraw/zinc/27/15/32/388271532.db2.gz BGFRNPWCJZGAPS-UHFFFAOYSA-N 0 1 236.363 2.512 20 0 BFADMN Cc1nnc(CN2CCC[C@H]3CCCC[C@H]32)o1 ZINC000302845906 388346118 /nfs/dbraw/zinc/34/61/18/388346118.db2.gz FZZSKMCTDJQXNJ-VXGBXAGGSA-N 0 1 235.331 2.533 20 0 BFADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000276087713 388346877 /nfs/dbraw/zinc/34/68/77/388346877.db2.gz CEBVHLRHWPGZBR-LPEHRKFASA-N 0 1 242.750 2.809 20 0 BFADMN CCC(O)(CC)CCNc1cccc(C)n1 ZINC000276184280 388347459 /nfs/dbraw/zinc/34/74/59/388347459.db2.gz FTWNATCPLDRGMT-UHFFFAOYSA-N 0 1 222.332 2.743 20 0 BFADMN C[C@H](Cc1ccsc1)N1CC[C@@H](F)C1 ZINC000648721608 388355418 /nfs/dbraw/zinc/35/54/18/388355418.db2.gz IFAFARCUQTYFEW-MWLCHTKSSA-N 0 1 213.321 2.723 20 0 BFADMN CC[C@H](CN[C@H](C)c1cccnc1Cl)OC ZINC000290219419 388376359 /nfs/dbraw/zinc/37/63/59/388376359.db2.gz QQFDOIYPXFPLJA-NXEZZACHSA-N 0 1 242.750 2.811 20 0 BFADMN Cn1cc(C(C)(C)NCc2ccsc2)cn1 ZINC000164739209 388383307 /nfs/dbraw/zinc/38/33/07/388383307.db2.gz XFZIHJIFQGKLSI-UHFFFAOYSA-N 0 1 235.356 2.507 20 0 BFADMN Cc1nnsc1CN[C@@H]1CCc2ccccc21 ZINC000293322491 388387546 /nfs/dbraw/zinc/38/75/46/388387546.db2.gz FPYYMHBGPLOHRH-GFCCVEGCSA-N 0 1 245.351 2.624 20 0 BFADMN CC[C@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000516615724 388393976 /nfs/dbraw/zinc/39/39/76/388393976.db2.gz GREGLWUKKJOSNH-ONGXEEELSA-N 0 1 235.331 2.615 20 0 BFADMN Cc1nocc1CNCc1ccc(C)cc1 ZINC000294345433 388399211 /nfs/dbraw/zinc/39/92/11/388399211.db2.gz ZDGUHBAIYJWHHB-UHFFFAOYSA-N 0 1 216.284 2.581 20 0 BFADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000572967659 388400593 /nfs/dbraw/zinc/40/05/93/388400593.db2.gz OYMJJSLMZUWBML-AWEZNQCLSA-N 0 1 247.338 2.853 20 0 BFADMN Cc1nc2ccc(NC(=O)/C=C\C3CC3)cc2[nH]1 ZINC000492168813 388337312 /nfs/dbraw/zinc/33/73/12/388337312.db2.gz KZFQVUKPYBDXBT-DAXSKMNVSA-N 0 1 241.294 2.776 20 0 BFADMN CCC[C@@H](C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000175829547 388441748 /nfs/dbraw/zinc/44/17/48/388441748.db2.gz IINGHDYLAGFEGV-SECBINFHSA-N 0 1 246.314 2.723 20 0 BFADMN C[C@@H]1CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528367738 388451331 /nfs/dbraw/zinc/45/13/31/388451331.db2.gz YNHWLHRHSCLPJJ-SECBINFHSA-N 0 1 244.260 2.942 20 0 BFADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CC1(F)CC1 ZINC000525997851 388454301 /nfs/dbraw/zinc/45/43/01/388454301.db2.gz DSWSNAKPHXBXAE-HTQZYQBOSA-N 0 1 225.229 2.761 20 0 BFADMN c1nc(N[C@@H]2CCSC2)cc2c1CCCC2 ZINC000336654565 388458973 /nfs/dbraw/zinc/45/89/73/388458973.db2.gz GVGJOSHWTHWYSN-GFCCVEGCSA-N 0 1 234.368 2.878 20 0 BFADMN C[C@@H](NCc1ccc2nc[nH]c2c1)C(C)(F)F ZINC000515420334 256745502 /nfs/dbraw/zinc/74/55/02/256745502.db2.gz UNCFOQRHYWNDGI-MRVPVSSYSA-N 0 1 239.269 2.696 20 0 BFADMN CC(C)n1nccc1CNCCC(F)(F)F ZINC000336732403 388470973 /nfs/dbraw/zinc/47/09/73/388470973.db2.gz FTPHZLLPHUZNBU-UHFFFAOYSA-N 0 1 235.253 2.506 20 0 BFADMN Cc1nsc(NC[C@@H]2CCCC2(C)C)n1 ZINC000338806089 388478256 /nfs/dbraw/zinc/47/82/56/388478256.db2.gz DQSNTZWHPQIJIQ-VIFPVBQESA-N 0 1 225.361 2.507 20 0 BFADMN Cc1cc(CN2CCC[C@@H](C)CC2)no1 ZINC000068837759 388411098 /nfs/dbraw/zinc/41/10/98/388411098.db2.gz BMQYVOSHLKVIJE-SNVBAGLBSA-N 0 1 208.305 2.605 20 0 BFADMN CCc1cnc(CN(C)[C@H](C)C(C)C)o1 ZINC000525270341 388423821 /nfs/dbraw/zinc/42/38/21/388423821.db2.gz DIEVIHIXOBISMB-SNVBAGLBSA-N 0 1 210.321 2.713 20 0 BFADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(C)no1 ZINC000525328540 388425606 /nfs/dbraw/zinc/42/56/06/388425606.db2.gz FDQQMHMYWZPFRW-JQWIXIFHSA-N 0 1 237.347 2.779 20 0 BFADMN CCC[C@@H](CC(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000308086693 388431784 /nfs/dbraw/zinc/43/17/84/388431784.db2.gz IYBNIACIMCWTRG-JTQLQIEISA-N 0 1 238.335 2.514 20 0 BFADMN Cc1nc(CN2CC[C@@H](C)[C@@H](C)C2)oc1C ZINC000245882452 388433470 /nfs/dbraw/zinc/43/34/70/388433470.db2.gz IJIZKEXDXLGHOP-ZJUUUORDSA-N 0 1 222.332 2.769 20 0 BFADMN CC(C)(CCNc1ncnc2[nH]cnc21)C1CC1 ZINC000336893470 388439190 /nfs/dbraw/zinc/43/91/90/388439190.db2.gz UOTDAANTJOJYDE-UHFFFAOYSA-N 0 1 245.330 2.543 20 0 BFADMN CCC[C@@H]1CCCC[C@@H]1NCc1nc(C)no1 ZINC000548488474 388543327 /nfs/dbraw/zinc/54/33/27/388543327.db2.gz GETOEPNWQWCRPY-NEPJUHHUSA-N 0 1 237.347 2.827 20 0 BFADMN CC[C@H](C)N(CCCF)CC(=O)OC(C)(C)C ZINC000136795829 388548185 /nfs/dbraw/zinc/54/81/85/388548185.db2.gz CDNKIVVWERQEHK-NSHDSACASA-N 0 1 247.354 2.788 20 0 BFADMN c1nc(N[C@@H]2CCCSC2)cc2c1CCC2 ZINC000339551398 388485248 /nfs/dbraw/zinc/48/52/48/388485248.db2.gz FJUJEVNCYOJUJO-GFCCVEGCSA-N 0 1 234.368 2.878 20 0 BFADMN Cc1ccnc(NC[C@@H]2CCC[C@H](CO)C2)c1 ZINC000340981641 388494260 /nfs/dbraw/zinc/49/42/60/388494260.db2.gz ZVBQHYHIMJDJSR-OLZOCXBDSA-N 0 1 234.343 2.601 20 0 BFADMN C[C@@H]1CC[N@@H+](CCCC(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000547971514 388499531 /nfs/dbraw/zinc/49/95/31/388499531.db2.gz LGHOFBPOPNVCQP-JHJVBQTASA-N 0 1 239.359 2.752 20 0 BFADMN CC(C)(CCNCc1ccon1)C1CC1 ZINC000406094104 388499625 /nfs/dbraw/zinc/49/96/25/388499625.db2.gz ZRKOTTYNZLHLBN-UHFFFAOYSA-N 0 1 208.305 2.591 20 0 BFADMN CC[C@]1(C)CN(Cc2ccc(C)cc2)CCO1 ZINC000135586485 388501072 /nfs/dbraw/zinc/50/10/72/388501072.db2.gz DGZBOIHHZMAWLJ-OAHLLOKOSA-N 0 1 233.355 2.996 20 0 BFADMN C[C@H](NCc1nn(C)cc1Cl)[C@@H]1CC1(C)C ZINC000397840412 388504658 /nfs/dbraw/zinc/50/46/58/388504658.db2.gz UESBUZPTUNQKHX-IUCAKERBSA-N 0 1 241.766 2.598 20 0 BFADMN CC[C@]1(C)CCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000344254231 388506215 /nfs/dbraw/zinc/50/62/15/388506215.db2.gz RQNXCQLODAWUIQ-SMDDNHRTSA-N 0 1 241.375 2.839 20 0 BFADMN Cc1nccc(N[C@@H]2CS[C@@H](C)C2)c1Cl ZINC000397889348 388509274 /nfs/dbraw/zinc/50/92/74/388509274.db2.gz OYJVPYKCYWNYST-CBAPKCEASA-N 0 1 242.775 2.771 20 0 BFADMN CCc1nnc(CN(C(CC)CC)C2CC2)[nH]1 ZINC000548113929 388513026 /nfs/dbraw/zinc/51/30/26/388513026.db2.gz UUUCHXCSFCSYBT-UHFFFAOYSA-N 0 1 236.363 2.520 20 0 BFADMN Cc1ccsc1CNCc1cnc(C)o1 ZINC000398042501 388515322 /nfs/dbraw/zinc/51/53/22/388515322.db2.gz ZGFYXOXQUMDFPU-UHFFFAOYSA-N 0 1 222.313 2.643 20 0 BFADMN C[C@@H]1C[C@H](C)N(Cc2ncccc2Cl)C1 ZINC000528388870 388517723 /nfs/dbraw/zinc/51/77/23/388517723.db2.gz RDMHLHWGWPAWIV-ZJUUUORDSA-N 0 1 224.735 2.965 20 0 BFADMN Cc1ccc2cc[nH+]c(NCCCC(=O)[O-])c2c1 ZINC000082765872 388587861 /nfs/dbraw/zinc/58/78/61/388587861.db2.gz VZTAFUZNVSPMBQ-UHFFFAOYSA-N 0 1 244.294 2.820 20 0 BFADMN C[N@@H+](CC1CC(C)(C)C1)C1(C(=O)[O-])CCCC1 ZINC000530166377 388618442 /nfs/dbraw/zinc/61/84/42/388618442.db2.gz OSROJTNAYVIRTL-UHFFFAOYSA-N 0 1 239.359 2.752 20 0 BFADMN C[C@H]1CC[C@H](C)N1C(=O)c1cccc2c[nH]nc21 ZINC000138301421 388592951 /nfs/dbraw/zinc/59/29/51/388592951.db2.gz IDMDWARZUSDGGB-UWVGGRQHSA-N 0 1 243.310 2.576 20 0 BFADMN CCN(CC)Cc1cccc(O)c1Cl ZINC000328310293 388598159 /nfs/dbraw/zinc/59/81/59/388598159.db2.gz AZALFUCSAJMNSU-UHFFFAOYSA-N 0 1 213.708 2.887 20 0 BFADMN C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H](C(=O)[O-])C1 ZINC000530166326 388618479 /nfs/dbraw/zinc/61/84/79/388618479.db2.gz OEYLVIKYLJKAHS-CMPLNLGQSA-N 0 1 239.359 2.608 20 0 BFADMN C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H](C(=O)[O-])C1 ZINC000530166331 388617976 /nfs/dbraw/zinc/61/79/76/388617976.db2.gz OEYLVIKYLJKAHS-ZYHUDNBSSA-N 0 1 239.359 2.608 20 0 BFADMN Cc1ccc(CN2CCSC[C@H]2C)c(C)n1 ZINC000187068035 388606615 /nfs/dbraw/zinc/60/66/15/388606615.db2.gz BVRAWZLETRACEW-LLVKDONJSA-N 0 1 236.384 2.636 20 0 BFADMN CCC(F)(F)CN[C@H]1CCC[C@@H](OC)C1 ZINC000623678935 388613817 /nfs/dbraw/zinc/61/38/17/388613817.db2.gz BQBHPODXTVNLKT-VHSXEESVSA-N 0 1 221.291 2.579 20 0 BFADMN CC/C=C\CC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165916 388618491 /nfs/dbraw/zinc/61/84/91/388618491.db2.gz KCWDQEWFZVGRLB-DHCBQETCSA-N 0 1 249.310 2.620 20 0 BFADMN Cc1cc([C@@H](C)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000548711600 388554086 /nfs/dbraw/zinc/55/40/86/388554086.db2.gz UCFNGXGXWLLBSJ-RBLKWDMZSA-N 0 1 238.331 2.590 20 0 BFADMN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000581100826 388571356 /nfs/dbraw/zinc/57/13/56/388571356.db2.gz YHLBIVVTZZKGFE-WDEREUQCSA-N 0 1 220.316 2.550 20 0 BFADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000581100826 388571359 /nfs/dbraw/zinc/57/13/59/388571359.db2.gz YHLBIVVTZZKGFE-WDEREUQCSA-N 0 1 220.316 2.550 20 0 BFADMN C[C@H]1CC(F)(F)CC[N@H+]1CCc1cscn1 ZINC000528774731 388571851 /nfs/dbraw/zinc/57/18/51/388571851.db2.gz VZIZPGKGEMTPKY-VIFPVBQESA-N 0 1 246.326 2.805 20 0 BFADMN C[C@H]1CC(F)(F)CCN1CCc1cscn1 ZINC000528774731 388571853 /nfs/dbraw/zinc/57/18/53/388571853.db2.gz VZIZPGKGEMTPKY-VIFPVBQESA-N 0 1 246.326 2.805 20 0 BFADMN Cc1nnc([C@@H](C)N2CC[C@@H](CC(C)C)C2)o1 ZINC000245419632 388577788 /nfs/dbraw/zinc/57/77/88/388577788.db2.gz BBIBPEFJXYSDEF-PWSUYJOCSA-N 0 1 237.347 2.807 20 0 BFADMN CC/C=C/CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000184672671 388580797 /nfs/dbraw/zinc/58/07/97/388580797.db2.gz WHCBEGBDRYZFRT-QDLOVBKTSA-N 0 1 245.366 2.934 20 0 BFADMN CC[C@H]1CN(CCOCCC(C)C)C[C@@H](C)O1 ZINC000247504408 388665387 /nfs/dbraw/zinc/66/53/87/388665387.db2.gz OHNHZNJWSXVVGQ-KGLIPLIRSA-N 0 1 243.391 2.548 20 0 BFADMN CCn1ccnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000247516960 388665484 /nfs/dbraw/zinc/66/54/84/388665484.db2.gz MZXLIAUIEABKBL-QWHCGFSZSA-N 0 1 233.359 2.668 20 0 BFADMN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)no1 ZINC000247558527 388666761 /nfs/dbraw/zinc/66/67/61/388666761.db2.gz QOEFNSDQWUECLY-ADEWGFFLSA-N 0 1 235.331 2.531 20 0 BFADMN c1cn2cc(CN3CCCCCC3)nc2s1 ZINC000064344689 388669700 /nfs/dbraw/zinc/66/97/00/388669700.db2.gz PXVIEDZJAFRJKG-UHFFFAOYSA-N 0 1 235.356 2.772 20 0 BFADMN CC[C@@H]1CCN([C@H](C(=O)OC)c2ccccc2)C1 ZINC000125574164 388673870 /nfs/dbraw/zinc/67/38/70/388673870.db2.gz NIINKSBRXJCKTK-OCCSQVGLSA-N 0 1 247.338 2.633 20 0 BFADMN CC[C@@H]1CCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000125661039 388674292 /nfs/dbraw/zinc/67/42/92/388674292.db2.gz KGIWSDAQGNLIGT-WDEREUQCSA-N 0 1 237.347 2.986 20 0 BFADMN C[C@@H](c1ccccc1F)N1CCN(C2CC2)CC1 ZINC000125836943 388679684 /nfs/dbraw/zinc/67/96/84/388679684.db2.gz PQPMSHLSSOVMAW-LBPRGKRZSA-N 0 1 248.345 2.667 20 0 BFADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CC1CC=CC1 ZINC000530172859 388620928 /nfs/dbraw/zinc/62/09/28/388620928.db2.gz KMJUFTHWEQEJLU-PTEHBNRSSA-N 0 1 237.343 2.526 20 0 BFADMN C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@H]1CCCO1 ZINC000246224505 388624581 /nfs/dbraw/zinc/62/45/81/388624581.db2.gz PNXAABBHQHBYFE-WCQYABFASA-N 0 1 239.384 2.790 20 0 BFADMN COc1ncccc1CNCc1ccc(F)cc1 ZINC000037408045 388643846 /nfs/dbraw/zinc/64/38/46/388643846.db2.gz IMQXPKGBWLTEQX-UHFFFAOYSA-N 0 1 246.285 2.519 20 0 BFADMN 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CC(C)C[N@@H+](C/C=C/Cl)CC(C)(C)C(=O)[O-] ZINC000903622357 584787116 /nfs/dbraw/zinc/78/71/16/584787116.db2.gz IEGXQOXOZQTKDI-AATRIKPKSA-N 0 1 247.766 2.808 20 0 BFADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000903630728 584788107 /nfs/dbraw/zinc/78/81/07/584788107.db2.gz BPYWPPIIZUSIEZ-LPWJVIDDSA-N 0 1 241.375 2.854 20 0 BFADMN O=C([O-])c1ccccc1C[N@H+]1CCCC12CCC2 ZINC000903630597 584788159 /nfs/dbraw/zinc/78/81/59/584788159.db2.gz FXVTWORVHSBLJZ-UHFFFAOYSA-N 0 1 245.322 2.903 20 0 BFADMN CC(C)c1ccccc1C[N@@H+](C)CCC(=O)[O-] ZINC000903693714 584789694 /nfs/dbraw/zinc/78/96/94/584789694.db2.gz MRNCXKOROBNHNK-UHFFFAOYSA-N 0 1 235.327 2.717 20 0 BFADMN CC1(C)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903696743 584790056 /nfs/dbraw/zinc/79/00/56/584790056.db2.gz NHPGTLYNPYGHSK-UHFFFAOYSA-N 0 1 239.359 2.753 20 0 BFADMN CC[C@H](C)C[N@@H+](CC)CCC1(C(=O)[O-])CCC1 ZINC000903696249 584790338 /nfs/dbraw/zinc/79/03/38/584790338.db2.gz TWKJXUWBDQQTKF-LBPRGKRZSA-N 0 1 241.375 2.999 20 0 BFADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)C[C@H]1CC1(C)C ZINC000903707395 584791221 /nfs/dbraw/zinc/79/12/21/584791221.db2.gz WFKDWDPAVLBHKK-LLVKDONJSA-N 0 1 239.359 2.609 20 0 BFADMN CC[C@@H](C)CN(CC)Cc1cc(Cl)n(C)n1 ZINC000859155994 589010617 /nfs/dbraw/zinc/01/06/17/589010617.db2.gz PFHSYJVZJMICME-SNVBAGLBSA-N 0 1 243.782 2.942 20 0 BFADMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](C1CC1)C1CCCCC1 ZINC000903887915 584814068 /nfs/dbraw/zinc/81/40/68/584814068.db2.gz IWAWXNAXYPAFSM-GXFFZTMASA-N 0 1 237.343 2.504 20 0 BFADMN O=C([O-])C[N@@H+](CC1CCC2(CC2)CC1)C1CC1 ZINC000903883650 584818390 /nfs/dbraw/zinc/81/83/90/584818390.db2.gz YSQBZKHDRXJLEM-UHFFFAOYSA-N 0 1 237.343 2.506 20 0 BFADMN CC(C)[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903886177 584818866 /nfs/dbraw/zinc/81/88/66/584818866.db2.gz YTHJXWXTWMZFLM-UONOGXRCSA-N 0 1 247.338 2.618 20 0 BFADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000903886137 584818951 /nfs/dbraw/zinc/81/89/51/584818951.db2.gz XUPOIXDOMJSALN-MJBXVCDLSA-N 0 1 245.322 2.544 20 0 BFADMN Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903886258 584819058 /nfs/dbraw/zinc/81/90/58/584819058.db2.gz CERNSYZLUZEIIM-MBNYWOFBSA-N 0 1 247.338 2.709 20 0 BFADMN Cc1cccc(C)c1C[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000903947102 584829292 /nfs/dbraw/zinc/82/92/92/584829292.db2.gz RMIKAJYYJNORKD-UHFFFAOYSA-N 0 1 247.338 2.600 20 0 BFADMN CC(C)CC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903949358 584830142 /nfs/dbraw/zinc/83/01/42/584830142.db2.gz MBQHZMLGDJDSKZ-QNWHQSFQSA-N 0 1 241.375 2.852 20 0 BFADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903948929 584830395 /nfs/dbraw/zinc/83/03/95/584830395.db2.gz JBCYTSWHBKCJGJ-MPPDQPJWSA-N 0 1 239.359 2.606 20 0 BFADMN CCCCC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903951644 584831410 /nfs/dbraw/zinc/83/14/10/584831410.db2.gz UDMUVFRLHFFTHQ-UMSGYPCISA-N 0 1 241.375 2.996 20 0 BFADMN CC[C@@H]1CCC[C@]1(C)c1nc([C@@H]2CCCN2)no1 ZINC000904075358 584839850 /nfs/dbraw/zinc/83/98/50/584839850.db2.gz JDARTFGIFRZRNV-SUNKGSAMSA-N 0 1 249.358 2.962 20 0 BFADMN CC[C@H](C)OC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000741019112 584900016 /nfs/dbraw/zinc/90/00/16/584900016.db2.gz HSKLUJZJRTZLOM-WYUUTHIRSA-N 0 1 227.348 2.589 20 0 BFADMN CC(C)(NCc1nnc(C2CC2)s1)C1CC1 ZINC000828798421 584904460 /nfs/dbraw/zinc/90/44/60/584904460.db2.gz KBPAXYDSZFHODV-UHFFFAOYSA-N 0 1 237.372 2.694 20 0 BFADMN CN(c1ccccc1)C1CCN(CCF)CC1 ZINC000759330265 584906534 /nfs/dbraw/zinc/90/65/34/584906534.db2.gz ILMCSIIGFHKQJX-UHFFFAOYSA-N 0 1 236.334 2.557 20 0 BFADMN COc1cccc(C[C@@H]2CCCN2CCF)c1 ZINC000759328321 584906551 /nfs/dbraw/zinc/90/65/51/584906551.db2.gz PUCTZLCKDWRDND-ZDUSSCGKSA-N 0 1 237.318 2.672 20 0 BFADMN CCc1ccc(C[N@@H+](C)C/C=C(/C)C(=O)[O-])cc1 ZINC000830250204 584908282 /nfs/dbraw/zinc/90/82/82/584908282.db2.gz WWAOIQLMSQDMLQ-XFXZXTDPSA-N 0 1 247.338 2.712 20 0 BFADMN CC(C)OC1CCN(C/C=C\Cl)CC1 ZINC000730666568 584913543 /nfs/dbraw/zinc/91/35/43/584913543.db2.gz QJHPAZKBCDRHAE-UTCJRWHESA-N 0 1 217.740 2.628 20 0 BFADMN C[C@H]1C[C@H]1CNc1ccc(CN(C)C)c(F)c1 ZINC000754131933 584913713 /nfs/dbraw/zinc/91/37/13/584913713.db2.gz XIKDDNDTMCEPPV-JQWIXIFHSA-N 0 1 236.334 2.955 20 0 BFADMN CC1(C)CCCN1CC(=O)OCc1ccccc1 ZINC000731030552 584921427 /nfs/dbraw/zinc/92/14/27/584921427.db2.gz PIHYOYJZCAQJKS-UHFFFAOYSA-N 0 1 247.338 2.604 20 0 BFADMN CCN(Cn1ccc(-c2ccccc2)n1)C1CC1 ZINC000731656625 584927865 /nfs/dbraw/zinc/92/78/65/584927865.db2.gz CJPSRVGYMVJVAI-UHFFFAOYSA-N 0 1 241.338 2.992 20 0 BFADMN C[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000731660488 584928062 /nfs/dbraw/zinc/92/80/62/584928062.db2.gz ZHIMNMQIYRAPDJ-NSHDSACASA-N 0 1 247.367 2.911 20 0 BFADMN C[C@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000731660429 584928125 /nfs/dbraw/zinc/92/81/25/584928125.db2.gz WRIUUZGGTWRDHV-NSHDSACASA-N 0 1 247.367 2.911 20 0 BFADMN C[C@H]1CCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000731660429 584928126 /nfs/dbraw/zinc/92/81/26/584928126.db2.gz WRIUUZGGTWRDHV-NSHDSACASA-N 0 1 247.367 2.911 20 0 BFADMN CC[C@H](C(=O)OC1(C2CC2)CC1)N(CC)CC ZINC000765965838 584938647 /nfs/dbraw/zinc/93/86/47/584938647.db2.gz SPPUEAVJUPXDEN-GFCCVEGCSA-N 0 1 239.359 2.593 20 0 BFADMN Cc1nonc1CN1CCC[C@@H](C(C)C)CC1 ZINC000734152024 584957734 /nfs/dbraw/zinc/95/77/34/584957734.db2.gz BFZUPUWJTWJPPY-GFCCVEGCSA-N 0 1 237.347 2.636 20 0 BFADMN CCCCN(CCCC)Cc1nonc1C ZINC000734148068 584957762 /nfs/dbraw/zinc/95/77/62/584957762.db2.gz QZAQFCLYRWODNN-UHFFFAOYSA-N 0 1 225.336 2.780 20 0 BFADMN C[C@H]1CN(Cc2coc(C3CC3)n2)C[C@H]1C ZINC000769447695 584966215 /nfs/dbraw/zinc/96/62/15/584966215.db2.gz JEVWIUKTAPANQI-AOOOYVTPSA-N 0 1 220.316 2.640 20 0 BFADMN CC[C@@H](C(=O)OCC1(CC)CC1)N(CC)CC ZINC000816184664 584978170 /nfs/dbraw/zinc/97/81/70/584978170.db2.gz IXVKSSSEWDKUFQ-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN C[C@@H](C[NH2+]Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000816538766 584981083 /nfs/dbraw/zinc/98/10/83/584981083.db2.gz GCMVQGHPWPAFHI-QMMMGPOBSA-N 0 1 241.281 2.806 20 0 BFADMN CCc1nc(CN[C@@H]2CC[C@@H]2C2CC2)co1 ZINC000825062459 585029008 /nfs/dbraw/zinc/02/90/08/585029008.db2.gz XAPYCJOIWKSOFE-VXGBXAGGSA-N 0 1 220.316 2.515 20 0 BFADMN COc1ccc(C)cc1NCc1n[nH]c(C)c1C ZINC000886024945 585036248 /nfs/dbraw/zinc/03/62/48/585036248.db2.gz AABDMGJMPTVMBI-UHFFFAOYSA-N 0 1 245.326 2.956 20 0 BFADMN CC[C@@H]1CCCN(CN2CCSC2=O)CC1 ZINC000738257310 585042154 /nfs/dbraw/zinc/04/21/54/585042154.db2.gz VZULHYMZACXSGJ-LLVKDONJSA-N 0 1 242.388 2.625 20 0 BFADMN FCCN1CCC2(CC1)OCCc1ccccc12 ZINC000839039937 585085498 /nfs/dbraw/zinc/08/54/98/585085498.db2.gz JTPQHLIINNALPB-UHFFFAOYSA-N 0 1 249.329 2.520 20 0 BFADMN CCCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000741013024 585108942 /nfs/dbraw/zinc/10/89/42/585108942.db2.gz XKXKKGAHUCXTCV-ZDUSSCGKSA-N 0 1 241.375 2.840 20 0 BFADMN CC(C)CCOC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000741014515 585109036 /nfs/dbraw/zinc/10/90/36/585109036.db2.gz NYXCUKATQJLCRV-CYBMUJFWSA-N 0 1 241.375 2.696 20 0 BFADMN CC[C@H](C)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000741010471 585109043 /nfs/dbraw/zinc/10/90/43/585109043.db2.gz HDTGVMFWLPQWQM-STQMWFEESA-N 0 1 241.375 2.839 20 0 BFADMN CC[C@H](C(=O)OC[Si](C)(C)C)N(CC)CC ZINC000741033271 585109546 /nfs/dbraw/zinc/10/95/46/585109546.db2.gz OLORABUFTHIUDP-LLVKDONJSA-N 0 1 245.439 2.527 20 0 BFADMN CCCOC(=O)[C@H](C)N1CCCC[C@@H]1CC ZINC000741772804 585117698 /nfs/dbraw/zinc/11/76/98/585117698.db2.gz ALMPOBSCSXLKBB-RYUDHWBXSA-N 0 1 227.348 2.593 20 0 BFADMN CCCCOC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000741777681 585118098 /nfs/dbraw/zinc/11/80/98/585118098.db2.gz CCNHQWZHCQWWRG-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN Cc1ccccc1[C@H](O)CN(C)Cc1ccoc1 ZINC000741783300 585118671 /nfs/dbraw/zinc/11/86/71/585118671.db2.gz YPNNIJKRONCWJX-OAHLLOKOSA-N 0 1 245.322 2.753 20 0 BFADMN CCCOC(=O)[C@H](C)[N@@H+](C(C)C)C1CCC1 ZINC000741796775 585119475 /nfs/dbraw/zinc/11/94/75/585119475.db2.gz YAJGZZLAPHTUOV-NSHDSACASA-N 0 1 227.348 2.591 20 0 BFADMN CCCOC(=O)[C@H](C)N(C(C)C)C1CCC1 ZINC000741796775 585119476 /nfs/dbraw/zinc/11/94/76/585119476.db2.gz YAJGZZLAPHTUOV-NSHDSACASA-N 0 1 227.348 2.591 20 0 BFADMN CCCCOC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000741805507 585119556 /nfs/dbraw/zinc/11/95/56/585119556.db2.gz JDTAYKITEDKWOX-CHWSQXEVSA-N 0 1 241.375 2.840 20 0 BFADMN CCCCOC(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000741805507 585119557 /nfs/dbraw/zinc/11/95/57/585119557.db2.gz JDTAYKITEDKWOX-CHWSQXEVSA-N 0 1 241.375 2.840 20 0 BFADMN CC(C)c1cnc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000741809668 585119875 /nfs/dbraw/zinc/11/98/75/585119875.db2.gz XVZDUWOEJKWDAW-PHIMTYICSA-N 0 1 234.343 2.886 20 0 BFADMN CCC[C@@H]1CC(=O)N(CN(C)CC(C)(C)C)C1 ZINC000743363310 585135989 /nfs/dbraw/zinc/13/59/89/585135989.db2.gz DOJOMZPXRJHYBE-GFCCVEGCSA-N 0 1 240.391 2.570 20 0 BFADMN C[C@H](C(=O)OCC1CCC1)N1CCCCCC1 ZINC000745094837 585156627 /nfs/dbraw/zinc/15/66/27/585156627.db2.gz NFLYFDSAVWELNM-GFCCVEGCSA-N 0 1 239.359 2.594 20 0 BFADMN CCC(N)=NOCc1cccc(OC(F)F)c1 ZINC000747813508 585184599 /nfs/dbraw/zinc/18/45/99/585184599.db2.gz ZAPJPJYOWYSNHT-UHFFFAOYSA-N 0 1 244.241 2.696 20 0 BFADMN CS/C=C\C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000751570513 585233030 /nfs/dbraw/zinc/23/30/30/585233030.db2.gz MBSMPZOBFNOQMV-WAYWQWQTSA-N 0 1 247.323 2.687 20 0 BFADMN COc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000752855226 585250979 /nfs/dbraw/zinc/25/09/79/585250979.db2.gz KQVKLFVJIWURTB-CHWSQXEVSA-N 0 1 249.354 2.613 20 0 BFADMN Cc1c(Cl)cnn1CN(C)CC(C)(C)C ZINC000753794023 585269101 /nfs/dbraw/zinc/26/91/01/585269101.db2.gz QQEPMCRKFQSGGQ-UHFFFAOYSA-N 0 1 229.755 2.780 20 0 BFADMN CC[C@@H](C)COC(=O)c1c(F)cc(O)cc1F ZINC000756417717 585319712 /nfs/dbraw/zinc/31/97/12/585319712.db2.gz VRLRCGUEXQWJEA-SSDOTTSWSA-N 0 1 244.237 2.873 20 0 BFADMN CC[C@H](C)COC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000756418177 585319731 /nfs/dbraw/zinc/31/97/31/585319731.db2.gz KCZMCSRFNGRRPC-RVMXOQNASA-N 0 1 241.375 2.837 20 0 BFADMN CC[C@H](C)COC(=O)c1c(F)cc(O)cc1F ZINC000756417720 585319775 /nfs/dbraw/zinc/31/97/75/585319775.db2.gz VRLRCGUEXQWJEA-ZETCQYMHSA-N 0 1 244.237 2.873 20 0 BFADMN O[C@@H]1C[C@@H](c2ccccc2)N(C/C=C\Cl)C1 ZINC000839632110 585333026 /nfs/dbraw/zinc/33/30/26/585333026.db2.gz FMLMUMVHNHXBMD-ACOKAEEESA-N 0 1 237.730 2.547 20 0 BFADMN COC1([C@H](C)NC/C(Cl)=C\Cl)CCC1 ZINC000839658257 585333971 /nfs/dbraw/zinc/33/39/71/585333971.db2.gz CCMHIZURBWWAGL-CYXIBPNKSA-N 0 1 238.158 2.853 20 0 BFADMN CCC[C@@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758131892 585350110 /nfs/dbraw/zinc/35/01/10/585350110.db2.gz AIQQVHJBGSXBKP-NXEZZACHSA-N 0 1 236.315 2.561 20 0 BFADMN CCCCOC(=O)[C@@H](C)N1CC[C@](C)(CC)C1 ZINC000758744684 585359496 /nfs/dbraw/zinc/35/94/96/585359496.db2.gz BFIQJVPHCRWNJV-OCCSQVGLSA-N 0 1 241.375 2.840 20 0 BFADMN FCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000759328296 585367565 /nfs/dbraw/zinc/36/75/65/585367565.db2.gz PLKDCHAKLVHUTE-CYBMUJFWSA-N 0 1 225.282 2.802 20 0 BFADMN COc1ccc2c(c1)CCC[C@@H]2N(C)CCF ZINC000759330337 585367907 /nfs/dbraw/zinc/36/79/07/585367907.db2.gz JZSXMHFRSWYSGK-AWEZNQCLSA-N 0 1 237.318 2.974 20 0 BFADMN CCCCO[C@H]1C[C@@H](N(C)CCF)C1(C)C ZINC000759346684 585370115 /nfs/dbraw/zinc/37/01/15/585370115.db2.gz PBBHDVVMBFUTAO-NEPJUHHUSA-N 0 1 231.355 2.872 20 0 BFADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000759924068 585382845 /nfs/dbraw/zinc/38/28/45/585382845.db2.gz UXYYAPKVFCKWGM-NEPJUHHUSA-N 0 1 241.375 2.696 20 0 BFADMN CCN(CCC1CC1)Cn1ncc(Cl)c1C ZINC000760538550 585393963 /nfs/dbraw/zinc/39/39/63/585393963.db2.gz LFADMAGQOFSNRT-UHFFFAOYSA-N 0 1 241.766 2.924 20 0 BFADMN CSCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761040954 585403800 /nfs/dbraw/zinc/40/38/00/585403800.db2.gz KBSACTGHMCGJBY-MRVPVSSYSA-N 0 1 227.295 2.624 20 0 BFADMN CCC[C@@H](C)c1noc(Cc2cc(C)n[nH]2)n1 ZINC000761837627 585419722 /nfs/dbraw/zinc/41/97/22/585419722.db2.gz WRDHTHBXFTYJBY-MRVPVSSYSA-N 0 1 234.303 2.596 20 0 BFADMN Cc1cc(=O)[n-]c(C[N@H+]2CCCC[C@H]2C(C)C)n1 ZINC000761875572 585421524 /nfs/dbraw/zinc/42/15/24/585421524.db2.gz NRWGHFQVIMREAJ-LBPRGKRZSA-N 0 1 249.358 2.501 20 0 BFADMN Cc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@H]2C(C)C)n1 ZINC000761875572 585421525 /nfs/dbraw/zinc/42/15/25/585421525.db2.gz NRWGHFQVIMREAJ-LBPRGKRZSA-N 0 1 249.358 2.501 20 0 BFADMN CCC(CC)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000762116379 585427132 /nfs/dbraw/zinc/42/71/32/585427132.db2.gz URBFBHCSFLVNJL-SNVBAGLBSA-N 0 1 236.315 2.561 20 0 BFADMN C/C=C(/C)C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000762394133 585431616 /nfs/dbraw/zinc/43/16/16/585431616.db2.gz WZFVRUGQVVGBEU-KMKOMSMNSA-N 0 1 241.294 2.981 20 0 BFADMN Cc1cccc(F)c1CNCc1ccn(C)c1 ZINC000763480613 585448925 /nfs/dbraw/zinc/44/89/25/585448925.db2.gz ZKOWWTCJHNHCLX-UHFFFAOYSA-N 0 1 232.302 2.762 20 0 BFADMN Cc1cccc(C)c1CNCc1ccc(CO)o1 ZINC000765264654 585483309 /nfs/dbraw/zinc/48/33/09/585483309.db2.gz ATLPBJAYPLZEHB-UHFFFAOYSA-N 0 1 245.322 2.679 20 0 BFADMN CCc1cc(CN[C@@H](C)c2ccccc2F)[nH]n1 ZINC000765991724 585495368 /nfs/dbraw/zinc/49/53/68/585495368.db2.gz GKSZPRYHNCIOQX-JTQLQIEISA-N 0 1 247.317 2.962 20 0 BFADMN CCCCOC(=O)[C@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000766985830 585512467 /nfs/dbraw/zinc/51/24/67/585512467.db2.gz ZCNQOHDHAPPMBB-XQQFMLRXSA-N 0 1 241.375 2.696 20 0 BFADMN C[N@@H+](CCC(=O)C1CC1)Cc1ccc(F)cc1 ZINC000767364203 585517801 /nfs/dbraw/zinc/51/78/01/585517801.db2.gz YKQOCVHFPQUVBP-UHFFFAOYSA-N 0 1 235.302 2.627 20 0 BFADMN CN(CCC(=O)C1CC1)Cc1ccc(F)cc1 ZINC000767364203 585517802 /nfs/dbraw/zinc/51/78/02/585517802.db2.gz YKQOCVHFPQUVBP-UHFFFAOYSA-N 0 1 235.302 2.627 20 0 BFADMN CCOC(CN1Cc2ccccc2[C@H]1C)OCC ZINC000767794332 585525989 /nfs/dbraw/zinc/52/59/89/585525989.db2.gz ZJPNCSIEUOWFIJ-GFCCVEGCSA-N 0 1 249.354 2.962 20 0 BFADMN CN(Cc1ccco1)Cc1ccc2c(c1)COC2 ZINC000768188514 585533495 /nfs/dbraw/zinc/53/34/95/585533495.db2.gz WDBLAXLYEZHFMH-UHFFFAOYSA-N 0 1 243.306 2.942 20 0 BFADMN C[C@@H]1CN(Cc2ccnn2C)Cc2ccccc21 ZINC000768195626 585533663 /nfs/dbraw/zinc/53/36/63/585533663.db2.gz 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ZINC000712353391 969860144 /nfs/dbraw/zinc/86/01/44/969860144.db2.gz PXNDJCORKUUVOG-LLVKDONJSA-N 0 1 234.343 2.655 20 0 BFADMN Cc1cc(-n2cncc2N)ccc1C(F)(F)F ZINC001210304002 969860623 /nfs/dbraw/zinc/86/06/23/969860623.db2.gz NOIKWJKFEIFWHH-UHFFFAOYSA-N 0 1 241.216 2.782 20 0 BFADMN COC[C@@H](C)CNc1ccc2c(n1)CCCC2 ZINC000712353392 969860733 /nfs/dbraw/zinc/86/07/33/969860733.db2.gz PXNDJCORKUUVOG-NSHDSACASA-N 0 1 234.343 2.655 20 0 BFADMN Cc1ccc(CN2C[C@H](F)C[C@H]2C)s1 ZINC001204029739 969880610 /nfs/dbraw/zinc/88/06/10/969880610.db2.gz GBMVSXNCMJKILS-PSASIEDQSA-N 0 1 213.321 2.989 20 0 BFADMN Oc1c(Cl)cccc1-c1cncc2nccn21 ZINC001242366193 969903357 /nfs/dbraw/zinc/90/33/57/969903357.db2.gz GVMUQKQJFSQINQ-UHFFFAOYSA-N 0 1 245.669 2.755 20 0 BFADMN COCOc1ccc(Nc2ccncc2)c(C)c1 ZINC001210490862 969908192 /nfs/dbraw/zinc/90/81/92/969908192.db2.gz RWVAMHFXPJOMCM-UHFFFAOYSA-N 0 1 244.294 2.538 20 0 BFADMN c1nc2c([nH]1)CCC[C@@H]2c1nnc(C2CCC2)o1 ZINC001255182382 970000664 /nfs/dbraw/zinc/00/06/64/970000664.db2.gz KHFHBCVCZLDTNI-VIFPVBQESA-N 0 1 244.298 2.528 20 0 BFADMN CC=C(C)Nc1cnccc1C(=O)OCC ZINC001210791769 970030473 /nfs/dbraw/zinc/03/04/73/970030473.db2.gz DUMSDRBSSUUNMU-RUDMXATFSA-N 0 1 220.272 2.594 20 0 BFADMN CNc1ncccc1CN(C)Cc1ccccc1 ZINC000052717566 970054234 /nfs/dbraw/zinc/05/42/34/970054234.db2.gz UAGJYCOJFKICGT-UHFFFAOYSA-N 0 1 241.338 2.755 20 0 BFADMN Oc1ccc(F)c(-c2cccc3cncn32)c1 ZINC001242765625 970071630 /nfs/dbraw/zinc/07/16/30/970071630.db2.gz VNTNOAUVMWBNJN-UHFFFAOYSA-N 0 1 228.226 2.846 20 0 BFADMN CCCC[C@H](C)N(C)Cc1nnc2ccccn21 ZINC001255323257 970095903 /nfs/dbraw/zinc/09/59/03/970095903.db2.gz PBLSUZISBDMXCX-LBPRGKRZSA-N 0 1 246.358 2.740 20 0 BFADMN CC(C)CCC[C@@H](C)NCc1ncc(F)cn1 ZINC001170057318 970099447 /nfs/dbraw/zinc/09/94/47/970099447.db2.gz IOZGJKMMHMKHAS-LLVKDONJSA-N 0 1 239.338 2.920 20 0 BFADMN [CH2]CC[N@@H+](CCN)[C@@H](C)CCCC(C)C ZINC001170065123 970129632 /nfs/dbraw/zinc/12/96/32/970129632.db2.gz XAAGNXQPDKRRIP-ZDUSSCGKSA-N 0 1 213.389 2.686 20 0 BFADMN [CH2]CCN(CC[NH3+])[C@@H](C)CCCC(C)C ZINC001170065123 970129637 /nfs/dbraw/zinc/12/96/37/970129637.db2.gz XAAGNXQPDKRRIP-ZDUSSCGKSA-N 0 1 213.389 2.686 20 0 BFADMN COC(=O)[C@@H]1CCCN1[C@H](C)CCCC(C)C ZINC001170070830 970152231 /nfs/dbraw/zinc/15/22/31/970152231.db2.gz ZBXGFCJZSQYZJG-OLZOCXBDSA-N 0 1 241.375 2.839 20 0 BFADMN Cc1ccc2ccccc2c1-n1cncc1N ZINC001211117981 970152361 /nfs/dbraw/zinc/15/23/61/970152361.db2.gz IJLKXKCVIBPNMZ-UHFFFAOYSA-N 0 1 223.279 2.916 20 0 BFADMN COc1ccc(-c2cccn3cncc23)c(C)n1 ZINC001242929056 970154946 /nfs/dbraw/zinc/15/49/46/970154946.db2.gz XHIPWJSNYXJZNO-UHFFFAOYSA-N 0 1 239.278 2.713 20 0 BFADMN CCOC1CN([C@@H](C)CCCC(C)C)C1 ZINC001170077348 970177718 /nfs/dbraw/zinc/17/77/18/970177718.db2.gz JOWDXOQOWXMIPA-LBPRGKRZSA-N 0 1 213.365 2.922 20 0 BFADMN Cn1cncc1Nc1nc2ccccc2s1 ZINC001211245958 970189388 /nfs/dbraw/zinc/18/93/88/970189388.db2.gz VDOLYGHEBLEFCZ-UHFFFAOYSA-N 0 1 230.296 2.773 20 0 BFADMN Cc1cnc(Cl)c(Nc2cncn2C)c1 ZINC001211245139 970190314 /nfs/dbraw/zinc/19/03/14/970190314.db2.gz KIRQQFZBBHMKCE-UHFFFAOYSA-N 0 1 222.679 2.521 20 0 BFADMN Cc1cc(Cl)ncc1Nc1cncn1C ZINC001211246006 970190454 /nfs/dbraw/zinc/19/04/54/970190454.db2.gz XVLFZZXPOWXYDW-UHFFFAOYSA-N 0 1 222.679 2.521 20 0 BFADMN Cn1cncc1Nc1cnc2c(F)cccc2c1 ZINC001211247399 970193492 /nfs/dbraw/zinc/19/34/92/970193492.db2.gz ZAOQZVRVBQQJLA-UHFFFAOYSA-N 0 1 242.257 2.851 20 0 BFADMN Cn1cncc1Nc1cnc2ccsc2c1 ZINC001211247060 970193639 /nfs/dbraw/zinc/19/36/39/970193639.db2.gz GSSWNWWJIBSGSM-UHFFFAOYSA-N 0 1 230.296 2.773 20 0 BFADMN Cn1cncc1Nc1cccnc1C1CCC1 ZINC001211247769 970194165 /nfs/dbraw/zinc/19/41/65/970194165.db2.gz CBGGTZCFGMAAQF-UHFFFAOYSA-N 0 1 228.299 2.826 20 0 BFADMN Cn1cncc1Nc1cc(F)cc(N)c1Cl ZINC001211253222 970198923 /nfs/dbraw/zinc/19/89/23/970198923.db2.gz AYVOKBYOFZRVPT-UHFFFAOYSA-N 0 1 240.669 2.538 20 0 BFADMN CCN(C)c1ccc(Nc2cncn2C)cc1 ZINC001211253901 970199956 /nfs/dbraw/zinc/19/99/56/970199956.db2.gz MZZAYHMOAHRNHV-UHFFFAOYSA-N 0 1 230.315 2.620 20 0 BFADMN CCc1cccc(Nc2ccncc2OC)c1 ZINC001211260405 970203969 /nfs/dbraw/zinc/20/39/69/970203969.db2.gz MHKLUQTYEQWOCT-UHFFFAOYSA-N 0 1 228.295 2.818 20 0 BFADMN COc1cnccc1Nc1cc(C)ccc1C ZINC001211262872 970207732 /nfs/dbraw/zinc/20/77/32/970207732.db2.gz OAEOIWDDHCOZJG-UHFFFAOYSA-N 0 1 228.295 2.873 20 0 BFADMN CCc1ccccc1Nc1ccncc1OC ZINC001211263600 970208603 /nfs/dbraw/zinc/20/86/03/970208603.db2.gz WWBWUYAZLLWULU-UHFFFAOYSA-N 0 1 228.295 2.818 20 0 BFADMN COc1cccc(Nc2ccncc2OC)c1C ZINC001211263603 970210367 /nfs/dbraw/zinc/21/03/67/970210367.db2.gz WXHRLAFADNCDII-UHFFFAOYSA-N 0 1 244.294 2.573 20 0 BFADMN COc1cc(C)cc(Nc2ccncc2OC)c1 ZINC001211263462 970213089 /nfs/dbraw/zinc/21/30/89/970213089.db2.gz SKLNPTJYCJSASH-UHFFFAOYSA-N 0 1 244.294 2.573 20 0 BFADMN Cc1ccc(OC(C)C)c(Nc2nnco2)c1 ZINC001211280037 970214703 /nfs/dbraw/zinc/21/47/03/970214703.db2.gz XTLASLDHPQCSEQ-UHFFFAOYSA-N 0 1 233.271 2.909 20 0 BFADMN CC(C)CCC[C@@H](C)N1CCc2c(ncn2C)C1 ZINC001170087982 970215978 /nfs/dbraw/zinc/21/59/78/970215978.db2.gz NFGSBGIOHWKDEB-CYBMUJFWSA-N 0 1 249.402 2.993 20 0 BFADMN [NH3+]CCc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211359768 970254126 /nfs/dbraw/zinc/25/41/26/970254126.db2.gz LEHDPJHXKDKIBF-UHFFFAOYSA-N 0 1 249.260 2.839 20 0 BFADMN CCCOc1ccccc1-n1cnc(C)c1N ZINC001211381048 970254480 /nfs/dbraw/zinc/25/44/80/970254480.db2.gz QRVSGCNWWPYWLK-UHFFFAOYSA-N 0 1 231.299 2.552 20 0 BFADMN CC(C)C[C@@H](C)C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000300987348 970305452 /nfs/dbraw/zinc/30/54/52/970305452.db2.gz UZZKHISZUCWOLN-LLVKDONJSA-N 0 1 227.348 2.608 20 0 BFADMN C[C@H]1CC[C@H](NC2(c3ccccc3)COC2)C1 ZINC001170102830 970307093 /nfs/dbraw/zinc/30/70/93/970307093.db2.gz CWYGUVLNJMMYLE-JSGCOSHPSA-N 0 1 231.339 2.690 20 0 BFADMN COC(C)(C)[C@H](C)N[C@@H](C)c1nccs1 ZINC000300969167 970308299 /nfs/dbraw/zinc/30/82/99/970308299.db2.gz JCEHZVIJJUFRCZ-IUCAKERBSA-N 0 1 228.361 2.607 20 0 BFADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001595162311 970317853 /nfs/dbraw/zinc/31/78/53/970317853.db2.gz HSKPEDHLWRZGEG-LBPRGKRZSA-N 0 1 237.343 2.506 20 0 BFADMN Cc1cc(C2CC2)cc(F)c1-n1cncc1N ZINC001213467128 970322467 /nfs/dbraw/zinc/32/24/67/970322467.db2.gz ITHGMGYCZCHAEU-UHFFFAOYSA-N 0 1 231.274 2.779 20 0 BFADMN COc1cccc(-c2ccc3nc[nH]c3c2C)n1 ZINC001243098610 970327051 /nfs/dbraw/zinc/32/70/51/970327051.db2.gz UNHGJEJSIMXRTM-UHFFFAOYSA-N 0 1 239.278 2.942 20 0 BFADMN Cc1ncn(C)c1Nc1ccc(Cl)cc1N ZINC001213649523 970372499 /nfs/dbraw/zinc/37/24/99/970372499.db2.gz KSAWJQFEGNKMFY-UHFFFAOYSA-N 0 1 236.706 2.708 20 0 BFADMN C[C@@H]1CC[C@H](N2CCC(F)(F)[C@H](F)C2)C1 ZINC001170133722 970398381 /nfs/dbraw/zinc/39/83/81/970398381.db2.gz SHMKVQXFBBRHRC-KXUCPTDWSA-N 0 1 221.266 2.854 20 0 BFADMN O=c1[nH]ccc2ccc(Nc3ccncc3)cc21 ZINC001213951834 970405109 /nfs/dbraw/zinc/40/51/09/970405109.db2.gz BLTVQQZZJUSZNJ-UHFFFAOYSA-N 0 1 237.262 2.501 20 0 BFADMN C[C@@H]1CC[C@H](N2CCO[C@H](c3ccccn3)C2)C1 ZINC001170150373 970454386 /nfs/dbraw/zinc/45/43/86/970454386.db2.gz NZRLQTFUPXYILI-IPYPFGDCSA-N 0 1 246.354 2.644 20 0 BFADMN Cc1cccc2ccnc(NCC3CC(=O)C3)c12 ZINC001157611044 970485888 /nfs/dbraw/zinc/48/58/88/970485888.db2.gz CRCPFEXMEPDEFV-UHFFFAOYSA-N 0 1 240.306 2.934 20 0 BFADMN Cc1ccc(C[C@@H](C)N2CC3(C2)CCCO3)cc1 ZINC001255787982 970489650 /nfs/dbraw/zinc/48/96/50/970489650.db2.gz QDGJXFHYXYORPQ-CQSZACIVSA-N 0 1 245.366 2.791 20 0 BFADMN Cc1ccc(C[C@H](C)N2CCC(=O)C[C@H]2C)cc1 ZINC001255787198 970490561 /nfs/dbraw/zinc/49/05/61/970490561.db2.gz HKYDUOUMJRLTRP-UONOGXRCSA-N 0 1 245.366 2.979 20 0 BFADMN Cc1ccc(C[C@H](C)N2CCOC[C@@H]2C)cc1 ZINC001255788515 970491204 /nfs/dbraw/zinc/49/12/04/970491204.db2.gz VTOMMYPDNVDCOY-KBPBESRZSA-N 0 1 233.355 2.647 20 0 BFADMN CC(C)OC(=O)CN1CCC2(C1)CCCCC2 ZINC000303143193 970506833 /nfs/dbraw/zinc/50/68/33/970506833.db2.gz VYDLTMVLUZSDGN-UHFFFAOYSA-N 0 1 239.359 2.594 20 0 BFADMN Oc1ccc(Cl)c(Nc2ccncc2)c1F ZINC001214554533 970511343 /nfs/dbraw/zinc/51/13/43/970511343.db2.gz UDIQQJCGIVKQLQ-UHFFFAOYSA-N 0 1 238.649 2.745 20 0 BFADMN FC(F)(F)[C@H]1CCCN(Cc2cc[nH]c2)C1 ZINC000179622374 970512147 /nfs/dbraw/zinc/51/21/47/970512147.db2.gz TZYSWPJXVXRQLG-JTQLQIEISA-N 0 1 232.249 2.789 20 0 BFADMN C[C@@H](Cc1ccccc1F)N1CCCC12COC2 ZINC001255851923 970515888 /nfs/dbraw/zinc/51/58/88/970515888.db2.gz ZDJYDHVHTQVZJS-LBPRGKRZSA-N 0 1 249.329 2.622 20 0 BFADMN C[C@@H](Cc1ccccc1F)N1CC[C@@H](F)C1 ZINC001255844854 970516000 /nfs/dbraw/zinc/51/60/00/970516000.db2.gz HJEADPZIUUIPNW-CMPLNLGQSA-N 0 1 225.282 2.801 20 0 BFADMN C[C@@H](Cc1ccccc1F)N1CC[C@H](F)C1 ZINC001255844855 970519675 /nfs/dbraw/zinc/51/96/75/970519675.db2.gz HJEADPZIUUIPNW-JQWIXIFHSA-N 0 1 225.282 2.801 20 0 BFADMN C[C@@H](Cc1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001255869223 970532541 /nfs/dbraw/zinc/53/25/41/970532541.db2.gz ZKRZMJCDCHHMNP-TUKIKUTGSA-N 0 1 249.329 2.620 20 0 BFADMN C[C@H](Cc1ccc(F)cc1)N1CC(C(F)F)C1 ZINC001255879584 970536394 /nfs/dbraw/zinc/53/63/94/970536394.db2.gz INIWDZBPRPJDSL-SECBINFHSA-N 0 1 243.272 2.954 20 0 BFADMN C[C@@H](Cc1ccc(F)cc1)N(C1CC1)C1COC1 ZINC001255875852 970537509 /nfs/dbraw/zinc/53/75/09/970537509.db2.gz NXRYGIHPGJFCQR-NSHDSACASA-N 0 1 249.329 2.620 20 0 BFADMN O=C1CN(C2CCCCCC2)CCC[C@@H]1F ZINC001255888168 970538009 /nfs/dbraw/zinc/53/80/09/970538009.db2.gz VSDNNBUUOMNMKY-LBPRGKRZSA-N 0 1 227.323 2.712 20 0 BFADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000401468687 970698882 /nfs/dbraw/zinc/69/88/82/970698882.db2.gz ZLGNCJYXQYWHSC-QJPTWQEYSA-N 0 1 227.348 2.608 20 0 BFADMN Cc1cnc(CN)n1[C@H](C)CCC(C)C ZINC001256355712 970752701 /nfs/dbraw/zinc/75/27/01/970752701.db2.gz CMXNZJLWZRNTOM-SNVBAGLBSA-N 0 1 209.337 2.647 20 0 BFADMN CC(C)CC[C@@H](C)N[C@@H]1NC(=O)c2ccccc21 ZINC001256357295 970755959 /nfs/dbraw/zinc/75/59/59/970755959.db2.gz DYFGVTZBUFAHNY-BXUZGUMPSA-N 0 1 246.354 2.843 20 0 BFADMN Cc1c(O)cccc1CN1CCC(F)(F)CC1 ZINC001144107898 972573235 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CC1=CCN(Cc2cccc(F)c2N)CC1 ZINC000166149266 385473413 /nfs/dbraw/zinc/47/34/13/385473413.db2.gz YXNCQTZPMSQLJC-UHFFFAOYSA-N 0 1 220.291 2.560 20 0 BFADMN c1csc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000179691962 385483898 /nfs/dbraw/zinc/48/38/98/385483898.db2.gz MOZIFNSHYORQNS-NSHDSACASA-N 0 1 233.340 2.808 20 0 BFADMN C[C@@H]1c2ccccc2CCN1Cc1cnn(C)c1 ZINC000170954657 385458582 /nfs/dbraw/zinc/45/85/82/385458582.db2.gz ZMWQRCHNZRSWPU-GFCCVEGCSA-N 0 1 241.338 2.539 20 0 BFADMN C[C@H]1c2ccccc2CCN1Cc1cnn(C)c1 ZINC000170954661 385458716 /nfs/dbraw/zinc/45/87/16/385458716.db2.gz ZMWQRCHNZRSWPU-LBPRGKRZSA-N 0 1 241.338 2.539 20 0 BFADMN Fc1cnccc1CN1CC[C@@H](c2ccco2)C1 ZINC000648371758 385462048 /nfs/dbraw/zinc/46/20/48/385462048.db2.gz OJGCLKLINAWPAY-GFCCVEGCSA-N 0 1 246.285 2.803 20 0 BFADMN C[C@H]1CCC[C@H](C)C1NCc1nc(C2CC2)no1 ZINC000182948544 385491560 /nfs/dbraw/zinc/49/15/60/385491560.db2.gz NVWSZSBXKAPYAA-UWVGGRQHSA-N 0 1 249.358 2.861 20 0 BFADMN C[C@H]1c2ccccc2CCN1Cc1ccnn1C 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BAHDUVLQYINFTM-QWHCGFSZSA-N 0 1 241.350 2.912 20 0 BFADMN CCc1cccc(C[N@@H+](CC(=O)[O-])C(C)C)c1 ZINC000263565940 385676251 /nfs/dbraw/zinc/67/62/51/385676251.db2.gz FVEKLWRILZYJEV-UHFFFAOYSA-N 0 1 235.327 2.544 20 0 BFADMN Cc1noc([C@H](C)N[C@H]2CCC[C@@H](C)C2)n1 ZINC000309544220 385679090 /nfs/dbraw/zinc/67/90/90/385679090.db2.gz GMALDVSPKJOAEB-YWVKMMECSA-N 0 1 223.320 2.607 20 0 BFADMN C[C@H](N[C@H]1C=CCCC1)c1ccncc1F ZINC000309542184 385683666 /nfs/dbraw/zinc/68/36/66/385683666.db2.gz GBSFMYXMECBGCP-QWRGUYRKSA-N 0 1 220.291 2.980 20 0 BFADMN CC(C)c1nnc(CN[C@H](C)C2CCC2)s1 ZINC000309542658 385684086 /nfs/dbraw/zinc/68/40/86/385684086.db2.gz GFBLOAFGKAMMLD-SECBINFHSA-N 0 1 239.388 2.940 20 0 BFADMN C[C@@H](N[C@H]1C=CCCC1)c1ccncc1F ZINC000309542183 385684972 /nfs/dbraw/zinc/68/49/72/385684972.db2.gz GBSFMYXMECBGCP-MNOVXSKESA-N 0 1 220.291 2.980 20 0 BFADMN Cc1cccc(NCCSC(C)C)n1 ZINC000336685167 385685905 /nfs/dbraw/zinc/68/59/05/385685905.db2.gz KQZUIJWUGXWXAS-UHFFFAOYSA-N 0 1 210.346 2.944 20 0 BFADMN c1ccc(CN[C@@H](c2cccnc2)C2CC2)nc1 ZINC000340105776 385694447 /nfs/dbraw/zinc/69/44/47/385694447.db2.gz RHQGBIFMUUTNRA-OAHLLOKOSA-N 0 1 239.322 2.718 20 0 BFADMN CCN(Cc1cocn1)C1CC(C)(C)C1 ZINC000414538099 385700431 /nfs/dbraw/zinc/70/04/31/385700431.db2.gz QBYSLKQCALKWFQ-UHFFFAOYSA-N 0 1 208.305 2.685 20 0 BFADMN CC(C)(C)[C@H]1CCC[C@H]1NCc1csnn1 ZINC000414538463 385707917 /nfs/dbraw/zinc/70/79/17/385707917.db2.gz QQPURMXOPKDEJR-WDEREUQCSA-N 0 1 239.388 2.843 20 0 BFADMN Cc1ncc(C(=O)N2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000270449234 385708607 /nfs/dbraw/zinc/70/86/07/385708607.db2.gz MQNTVMBDMHFHAK-UHFFFAOYSA-N 0 1 247.342 2.537 20 0 BFADMN COC[C@@H](NCC[C@H](C)F)c1ccc(C)o1 ZINC000309579395 385712038 /nfs/dbraw/zinc/71/20/38/385712038.db2.gz PYDIXFQXLBNFLO-GXSJLCMTSA-N 0 1 229.295 2.613 20 0 BFADMN CCC[C@H](CCO)CNc1cc(C)ccn1 ZINC000230148700 385712150 /nfs/dbraw/zinc/71/21/50/385712150.db2.gz RTUFLTMYORITRH-GFCCVEGCSA-N 0 1 222.332 2.601 20 0 BFADMN CCOCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185275570 385729225 /nfs/dbraw/zinc/72/92/25/385729225.db2.gz SZHRCSAVILORDZ-LLVKDONJSA-N 0 1 240.372 2.529 20 0 BFADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000116351630 385729288 /nfs/dbraw/zinc/72/92/88/385729288.db2.gz QYVFWBODNKEIDJ-LLVKDONJSA-N 0 1 239.340 2.750 20 0 BFADMN CC[C@H](C)CNCc1nnc(C2CC2)s1 ZINC000414550106 385729858 /nfs/dbraw/zinc/72/98/58/385729858.db2.gz CEFMXVKSFYVUCE-QMMMGPOBSA-N 0 1 225.361 2.551 20 0 BFADMN CCOC[C@@H](C)NCc1ncc(C(C)C)s1 ZINC000336724695 385744016 /nfs/dbraw/zinc/74/40/16/385744016.db2.gz BGCXKIJRQCESBY-SNVBAGLBSA-N 0 1 242.388 2.781 20 0 BFADMN CCOCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000337698698 385744303 /nfs/dbraw/zinc/74/43/03/385744303.db2.gz CENHNIISNWRPCS-GFCCVEGCSA-N 0 1 241.281 2.578 20 0 BFADMN c1[nH]nnc1CCSc1ccc2c(c1)CCC2 ZINC000647915578 385760021 /nfs/dbraw/zinc/76/00/21/385760021.db2.gz JCEYFXVOTBDHTK-UHFFFAOYSA-N 0 1 245.351 2.628 20 0 BFADMN Cn1ncc(Cl)c1CNC1C(C)(C)C1(C)C ZINC000309631324 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388016427 /nfs/dbraw/zinc/01/64/27/388016427.db2.gz PBYFAYOPMDOHFC-LLVKDONJSA-N 0 1 238.331 2.593 20 0 BFADMN CCc1noc([C@H](C)N2CC[C@@H](C(C)C)C2)n1 ZINC000446724893 388033985 /nfs/dbraw/zinc/03/39/85/388033985.db2.gz CNKRDYUPKULAHN-WDEREUQCSA-N 0 1 237.347 2.671 20 0 BFADMN CC/C=C\CN[C@H](C)c1nccn1CC ZINC000453308216 388041221 /nfs/dbraw/zinc/04/12/21/388041221.db2.gz DGBAFVWEAWJDQG-JMEBYUIHSA-N 0 1 207.321 2.520 20 0 BFADMN C[C@@H](NCc1nn(C)cc1Cl)C(C)(C)C ZINC000453314049 388044195 /nfs/dbraw/zinc/04/41/95/388044195.db2.gz FLCFBYBGXMXEAC-MRVPVSSYSA-N 0 1 229.755 2.598 20 0 BFADMN CCCCN1C(=O)N=NC1SC[C@H](F)CC ZINC000440582369 388057459 /nfs/dbraw/zinc/05/74/59/388057459.db2.gz YIZLHCRKAYLQMS-MRVPVSSYSA-N 0 1 247.339 2.624 20 0 BFADMN CCC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000083662978 388058110 /nfs/dbraw/zinc/05/81/10/388058110.db2.gz YVQWQORCEGRWNN-ZDUSSCGKSA-N 0 1 235.327 2.934 20 0 BFADMN CC[C@H](F)CN(C)CCOc1ccccc1 ZINC000440692817 388067528 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YMMWUHYREPVQQT-RISCZKNCSA-N 0 1 235.327 2.564 20 0 BFADMN CCC[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836465 388299584 /nfs/dbraw/zinc/29/95/84/388299584.db2.gz ASZLATSYTYBYTK-OCCSQVGLSA-N 0 1 249.354 2.968 20 0 BFADMN CC[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451832787 388299857 /nfs/dbraw/zinc/29/98/57/388299857.db2.gz HCCDNTNINDRZJW-AAEUAGOBSA-N 0 1 235.327 2.578 20 0 BFADMN OCCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451847318 388300204 /nfs/dbraw/zinc/30/02/04/388300204.db2.gz YETGEEKRZALOAL-CYBMUJFWSA-N 0 1 235.327 2.579 20 0 BFADMN CC(C)(NCc1cnc[nH]1)c1ccccc1F ZINC000492047061 388332904 /nfs/dbraw/zinc/33/29/04/388332904.db2.gz NKQUDOHZRPGGEV-UHFFFAOYSA-N 0 1 233.290 2.574 20 0 BFADMN Cc1cnc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000451361900 388264524 /nfs/dbraw/zinc/26/45/24/388264524.db2.gz HCTVKXOWWPBYDP-COMQUAJESA-N 0 1 244.338 2.627 20 0 BFADMN Cc1ccccc1[C@@H](C)N(C)CC(=O)NC(C)C ZINC000193426679 388349224 /nfs/dbraw/zinc/34/92/24/388349224.db2.gz 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240.372 2.625 20 0 BFADMN COCCN(C)Cc1ccc(SC)s1 ZINC000356051857 174281506 /nfs/dbraw/zinc/28/15/06/174281506.db2.gz HUNDOJZVEJDFQL-UHFFFAOYSA-N 0 1 231.386 2.548 20 0 BFADMN COCCN(C)[C@@H](C)c1ccc(F)cc1F ZINC000338732094 174282023 /nfs/dbraw/zinc/28/20/23/174282023.db2.gz FLSRYWASVDNWDG-VIFPVBQESA-N 0 1 229.270 2.604 20 0 BFADMN COCCN(CC=C(C)C)Cc1ccco1 ZINC000046601271 174289148 /nfs/dbraw/zinc/28/91/48/174289148.db2.gz DBNAXHGJLZGIEK-UHFFFAOYSA-N 0 1 223.316 2.694 20 0 BFADMN COCCN(Cc1ccccn1)[C@@H]1C=CCCC1 ZINC000287223833 174298573 /nfs/dbraw/zinc/29/85/73/174298573.db2.gz FPBOPOPMSFRHRC-OAHLLOKOSA-N 0 1 246.354 2.639 20 0 BFADMN COC[C@@H](NCC=C(C)C)c1ccc(C)o1 ZINC000184711015 174481673 /nfs/dbraw/zinc/48/16/73/174481673.db2.gz KLDMXLJOPBVLNH-GFCCVEGCSA-N 0 1 223.316 2.831 20 0 BFADMN COc1ccc(CN2CC=C(C)CC2)cc1OC ZINC000271153819 175098379 /nfs/dbraw/zinc/09/83/79/175098379.db2.gz ANIIRBZBUTVTIO-UHFFFAOYSA-N 0 1 247.338 2.856 20 0 BFADMN COc1ccc(CN[C@H](C)CF)cc1Cl ZINC000288411236 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CCOCSc1nc(-c2ccccc2)n[nH]1 ZINC000758357475 585354611 /nfs/dbraw/zinc/35/46/11/585354611.db2.gz SCOYBWVDODQQTI-UHFFFAOYSA-N 0 1 235.312 2.558 20 0 BFADMN c1cc(CN[C@H](c2cccnc2)C2CC2)co1 ZINC000758620796 585357852 /nfs/dbraw/zinc/35/78/52/585357852.db2.gz DLSXNJDRYNXIFS-AWEZNQCLSA-N 0 1 228.295 2.916 20 0 BFADMN O[C@@H](c1ccccc1)[C@@H]1CCCCN1CCF ZINC000759330741 585368033 /nfs/dbraw/zinc/36/80/33/585368033.db2.gz BAZAPIPHRXRCSM-KBPBESRZSA-N 0 1 237.318 2.544 20 0 BFADMN CN(C)c1cccc([C@H]2CCCN2CCF)c1 ZINC000759342319 585369035 /nfs/dbraw/zinc/36/90/35/585369035.db2.gz HFNHYGKOCGHNQK-CQSZACIVSA-N 0 1 236.334 2.859 20 0 BFADMN O[C@H](C[C@H]1CCCN1CCF)c1cccs1 ZINC000759346896 585370124 /nfs/dbraw/zinc/37/01/24/585370124.db2.gz QWNPWQGWNAMHGH-GHMZBOCLSA-N 0 1 243.347 2.606 20 0 BFADMN CCN(CCF)[C@@H](C)c1cccc(O)c1 ZINC000759345883 585370190 /nfs/dbraw/zinc/37/01/90/585370190.db2.gz UHRKMPDJOFBRNW-JTQLQIEISA-N 0 1 211.280 2.745 20 0 BFADMN COc1ccc(C2CCN(CCF)CC2)cc1 ZINC000759348602 585370428 /nfs/dbraw/zinc/37/04/28/585370428.db2.gz YHKXTSXOKBRBRC-UHFFFAOYSA-N 0 1 237.318 2.844 20 0 BFADMN FCCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000759373011 585371575 /nfs/dbraw/zinc/37/15/75/585371575.db2.gz NRCDGOPICJUBFW-LLVKDONJSA-N 0 1 211.255 2.585 20 0 BFADMN C[C@]1(c2ccccc2)CCN(CCF)C1 ZINC000759371868 585371770 /nfs/dbraw/zinc/37/17/70/585371770.db2.gz FTVAHTXFORQCBI-ZDUSSCGKSA-N 0 1 207.292 2.620 20 0 BFADMN CCc1ccc(CNC[C@H](O)c2ccc(C)o2)o1 ZINC000760677633 585395408 /nfs/dbraw/zinc/39/54/08/585395408.db2.gz HCGAHCKKGJAADR-ZDUSSCGKSA-N 0 1 249.310 2.567 20 0 BFADMN FC(F)(F)CCN1CC[C@H](C(F)(F)F)C1 ZINC000761051991 585404068 /nfs/dbraw/zinc/40/40/68/585404068.db2.gz WOHHOKKUUQUYAL-LURJTMIESA-N 0 1 235.171 2.823 20 0 BFADMN FC(F)(F)CCN1CC[C@@H](C(F)(F)F)C1 ZINC000761051992 585404192 /nfs/dbraw/zinc/40/41/92/585404192.db2.gz WOHHOKKUUQUYAL-ZCFIWIBFSA-N 0 1 235.171 2.823 20 0 BFADMN c1nc(CN2CC[C@H]3C[C@H]32)oc1-c1ccccc1 ZINC000761085716 585407562 /nfs/dbraw/zinc/40/75/62/585407562.db2.gz CUBBXEQWQOECJR-QWHCGFSZSA-N 0 1 240.306 2.936 20 0 BFADMN Clc1ccccc1OCCN1CC[C@H]2C[C@H]21 ZINC000761090196 585408099 /nfs/dbraw/zinc/40/80/99/585408099.db2.gz SYVGQUQWPHCOJF-CMPLNLGQSA-N 0 1 237.730 2.813 20 0 BFADMN FC(F)Oc1ccccc1CN1CC[C@@H]2C[C@@H]21 ZINC000761099861 585409197 /nfs/dbraw/zinc/40/91/97/585409197.db2.gz XNBXROUKKWSDPT-KOLCDFICSA-N 0 1 239.265 2.882 20 0 BFADMN Cc1cc(=O)[n-]c(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000761863411 585421082 /nfs/dbraw/zinc/42/10/82/585421082.db2.gz IAKLVVVEMDHGIE-JQWIXIFHSA-N 0 1 249.358 2.501 20 0 BFADMN Cc1cc(=O)[n-]c(C[N@H+](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000761863411 585421083 /nfs/dbraw/zinc/42/10/83/585421083.db2.gz IAKLVVVEMDHGIE-JQWIXIFHSA-N 0 1 249.358 2.501 20 0 BFADMN C/C=C\C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805256443 585436519 /nfs/dbraw/zinc/43/65/19/585436519.db2.gz HPVZUZFGMPVAEK-IHWYPQMZSA-N 0 1 229.638 2.699 20 0 BFADMN O=C(OCCCF)c1ccc(O)c(Cl)c1 ZINC000762827668 585438020 /nfs/dbraw/zinc/43/80/20/585438020.db2.gz CUXXJRFRNUXTHL-UHFFFAOYSA-N 0 1 232.638 2.562 20 0 BFADMN CC[C@@H](C(=O)OC1(C)CCC1)N(CC)CC ZINC000765962962 585494142 /nfs/dbraw/zinc/49/41/42/585494142.db2.gz HSJVYCZOWKBPJO-NSHDSACASA-N 0 1 227.348 2.593 20 0 BFADMN Cc1cccc(F)c1CN[C@@H](C)c1cnn(C)c1 ZINC000766216144 585499021 /nfs/dbraw/zinc/49/90/21/585499021.db2.gz LPWYTLBAFKKAEC-NSHDSACASA-N 0 1 247.317 2.718 20 0 BFADMN Cc1cccc(F)c1CN[C@H](C)c1cnn(C)c1 ZINC000766216143 585499148 /nfs/dbraw/zinc/49/91/48/585499148.db2.gz LPWYTLBAFKKAEC-LLVKDONJSA-N 0 1 247.317 2.718 20 0 BFADMN CCCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000766985829 585512418 /nfs/dbraw/zinc/51/24/18/585512418.db2.gz ZCNQOHDHAPPMBB-UPJWGTAASA-N 0 1 241.375 2.696 20 0 BFADMN CN(CCC(=O)C1CC1)Cc1ccsc1 ZINC000767355106 585517501 /nfs/dbraw/zinc/51/75/01/585517501.db2.gz PUAVXZNWVGXDIO-UHFFFAOYSA-N 0 1 223.341 2.549 20 0 BFADMN c1cc(CNC[C@H]2C[C@H]2c2ccccc2)no1 ZINC000767375757 585518603 /nfs/dbraw/zinc/51/86/03/585518603.db2.gz PORDKVBVTGJWPN-OCCSQVGLSA-N 0 1 228.295 2.568 20 0 BFADMN CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C2)cc1 ZINC000767415859 585519465 /nfs/dbraw/zinc/51/94/65/585519465.db2.gz SCCWSXZKSWCIRL-OAHLLOKOSA-N 0 1 249.354 2.696 20 0 BFADMN C[C@H]1CN(Cc2ccnn2C)Cc2ccccc21 ZINC000768195628 585533642 /nfs/dbraw/zinc/53/36/42/585533642.db2.gz OYBQWOHYRQNILP-LBPRGKRZSA-N 0 1 241.338 2.539 20 0 BFADMN CCN(CCOC)Cc1cnc(Cl)c(C)c1 ZINC000768251436 585535031 /nfs/dbraw/zinc/53/50/31/585535031.db2.gz GQFOCLYCBXKEBO-UHFFFAOYSA-N 0 1 242.750 2.512 20 0 BFADMN CS/C=C/C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770256197 585572096 /nfs/dbraw/zinc/57/20/96/585572096.db2.gz ABALKHROWSYFEQ-AATRIKPKSA-N 0 1 247.323 2.687 20 0 BFADMN CCCCCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000771407480 585593957 /nfs/dbraw/zinc/59/39/57/585593957.db2.gz QCPRZTUWXBTPHC-CHWSQXEVSA-N 0 1 240.391 2.508 20 0 BFADMN CCn1cc([C@@H](C)NCc2cc(C)oc2C)cn1 ZINC000772984712 585629036 /nfs/dbraw/zinc/62/90/36/585629036.db2.gz PVDJARKAPPFZDC-LLVKDONJSA-N 0 1 247.342 2.964 20 0 BFADMN Fc1cccc(CN[C@@H]2CCc3ccccc32)n1 ZINC000773084022 585630844 /nfs/dbraw/zinc/63/08/44/585630844.db2.gz ARIFRVIHZIWIMI-CQSZACIVSA-N 0 1 242.297 2.998 20 0 BFADMN COC(=O)c1oc([C@H](C)N2CC[C@@H]3C[C@@H]32)cc1C ZINC000774737082 585664589 /nfs/dbraw/zinc/66/45/89/585664589.db2.gz IURIUMMMIVMLFC-AXFHLTTASA-N 0 1 249.310 2.530 20 0 BFADMN c1ccc2c(c1)CN(C[C@@H]1CCC=CO1)CCO2 ZINC000774845960 585667260 /nfs/dbraw/zinc/66/72/60/585667260.db2.gz KAKFRPGIDQOUIW-AWEZNQCLSA-N 0 1 245.322 2.574 20 0 BFADMN Cc1ccc(C)c(N(C)Cc2cnc[nH]2)c1 ZINC000776099815 585690005 /nfs/dbraw/zinc/69/00/05/585690005.db2.gz GCOSRCHDEJZCDM-UHFFFAOYSA-N 0 1 215.300 2.663 20 0 BFADMN CC(C)COC(=O)CN(C)CC1CCCCC1 ZINC000776575347 585701002 /nfs/dbraw/zinc/70/10/02/585701002.db2.gz QVVXVJCEYUDYJY-UHFFFAOYSA-N 0 1 241.375 2.698 20 0 BFADMN CC[C@H](C)CN(CC)CC(=O)OCC(C)C ZINC000776588756 585701876 /nfs/dbraw/zinc/70/18/76/585701876.db2.gz BNMQGRLJTSUNKB-LBPRGKRZSA-N 0 1 229.364 2.554 20 0 BFADMN Fc1ccc(NCc2ccc3nc[nH]c3c2)cn1 ZINC000777512309 585713988 /nfs/dbraw/zinc/71/39/88/585713988.db2.gz QCHGHWJJSHEPKT-UHFFFAOYSA-N 0 1 242.257 2.709 20 0 BFADMN C[C@@H]1CN(Cc2ccc(CF)cc2)[C@@H](C)CO1 ZINC000777542449 585714660 /nfs/dbraw/zinc/71/46/60/585714660.db2.gz VEMJCDLIHULZBG-NWDGAFQWSA-N 0 1 237.318 2.765 20 0 BFADMN C[C@H]1OCCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC000777600713 585715924 /nfs/dbraw/zinc/71/59/24/585715924.db2.gz UMNIOFXTIMIEKB-VXGBXAGGSA-N 0 1 237.318 2.765 20 0 BFADMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(CF)cc1 ZINC000777600708 585716073 /nfs/dbraw/zinc/71/60/73/585716073.db2.gz UMNIOFXTIMIEKB-NEPJUHHUSA-N 0 1 237.318 2.765 20 0 BFADMN C[C@H](C1CC1)N1CCO[C@H](c2ccccc2)C1 ZINC000777611190 585717018 /nfs/dbraw/zinc/71/70/18/585717018.db2.gz ZGCJLQXSJWQWFV-DOMZBBRYSA-N 0 1 231.339 2.858 20 0 BFADMN Cc1cccc(F)c1CNCc1ccc(F)nc1 ZINC000778173824 585726556 /nfs/dbraw/zinc/72/65/56/585726556.db2.gz YOFVMLWBUVFJOW-UHFFFAOYSA-N 0 1 248.276 2.958 20 0 BFADMN CC[C@@H](C(=O)OCC1CC=CC1)N(CC)CC ZINC000778690454 585739197 /nfs/dbraw/zinc/73/91/97/585739197.db2.gz QYTLLQSQBACDMO-ZDUSSCGKSA-N 0 1 239.359 2.616 20 0 BFADMN CC(C)CCCOC(=O)C(C)(C)N1CCCC1 ZINC000805614284 585740035 /nfs/dbraw/zinc/74/00/35/585740035.db2.gz NITQMXSJABCDPY-UHFFFAOYSA-N 0 1 241.375 2.840 20 0 BFADMN C[C@H]1CC[C@H](OC(=O)c2cccc3[nH]ncc32)C1 ZINC000779262590 585748956 /nfs/dbraw/zinc/74/89/56/585748956.db2.gz JLNJDACUKRBXCQ-UWVGGRQHSA-N 0 1 244.294 2.908 20 0 BFADMN CC[C@@H]1[C@@H](C)CCN1Cc1cc(Cl)n(C)n1 ZINC000859258825 589025155 /nfs/dbraw/zinc/02/51/55/589025155.db2.gz UPUIWDWHMWTLPN-GXSJLCMTSA-N 0 1 241.766 2.694 20 0 BFADMN CCc1cc(CNC(=O)C2(C)CCCCC2)n[nH]1 ZINC000780674750 585782961 /nfs/dbraw/zinc/78/29/61/585782961.db2.gz ZJQPWVWZVCDMES-UHFFFAOYSA-N 0 1 249.358 2.559 20 0 BFADMN CCC(C)=C(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000780984526 585788031 /nfs/dbraw/zinc/78/80/31/585788031.db2.gz XLNCJOWIJNWORF-VMPCVLLUSA-N 0 1 247.342 2.650 20 0 BFADMN CC/C(C)=C(/C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000780983979 585788038 /nfs/dbraw/zinc/78/80/38/585788038.db2.gz ICAPZVNXKXXUJR-JMZICWNOSA-N 0 1 249.358 2.512 20 0 BFADMN CC(C)COC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000781926514 585805327 /nfs/dbraw/zinc/80/53/27/585805327.db2.gz QMGRPZVRAVGAJM-STQMWFEESA-N 0 1 241.375 2.696 20 0 BFADMN C[C@@H](C1CC1)N1CCO[C@H](c2cccs2)C1 ZINC000782181198 585810253 /nfs/dbraw/zinc/81/02/53/585810253.db2.gz OTNXKLWEYYZYHW-JQWIXIFHSA-N 0 1 237.368 2.920 20 0 BFADMN CN(C[C@@H]1CC=CCC1)Cn1cc(Cl)cn1 ZINC000784013745 585846919 /nfs/dbraw/zinc/84/69/19/585846919.db2.gz KLBAURCHWAKJCM-LLVKDONJSA-N 0 1 239.750 2.782 20 0 BFADMN CCCOC(=O)[C@@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000784347328 585856449 /nfs/dbraw/zinc/85/64/49/585856449.db2.gz CTFSCUVWJROENL-NWDGAFQWSA-N 0 1 241.375 2.696 20 0 BFADMN Cc1[nH]nc2cc(NC(=O)[C@@H](F)C(C)C)ccc12 ZINC000784460254 585860634 /nfs/dbraw/zinc/86/06/34/585860634.db2.gz BWVHKWJDKXUDKC-LBPRGKRZSA-N 0 1 249.289 2.804 20 0 BFADMN C/C=C(\C)C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000784474282 585860990 /nfs/dbraw/zinc/86/09/90/585860990.db2.gz GFKDUGVQMQJVJR-XCVCLJGOSA-N 0 1 241.294 2.981 20 0 BFADMN Cc1nc(F)ccc1CNCc1ccc(F)cc1 ZINC000785411510 585872908 /nfs/dbraw/zinc/87/29/08/585872908.db2.gz RWHKICCXMXBDFL-UHFFFAOYSA-N 0 1 248.276 2.958 20 0 BFADMN CCC(C)=C(C)C(=O)N[C@H](CC)c1ncc[nH]1 ZINC000785422019 585873418 /nfs/dbraw/zinc/87/34/18/585873418.db2.gz YVBNCKAQUDENLI-DWOQACPDSA-N 0 1 235.331 2.723 20 0 BFADMN Cc1occc1CNCc1ccc(F)nc1C ZINC000785433878 585873790 /nfs/dbraw/zinc/87/37/90/585873790.db2.gz GHDPWBRHZUBMLE-UHFFFAOYSA-N 0 1 234.274 2.720 20 0 BFADMN CC/C=C\CCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785745323 585879281 /nfs/dbraw/zinc/87/92/81/585879281.db2.gz SQBVASGGTCDSSE-NTQVKLLNSA-N 0 1 239.359 2.759 20 0 BFADMN CC/C=C(/C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785875009 585882330 /nfs/dbraw/zinc/88/23/30/585882330.db2.gz BYWNBUYIUITGEK-YWEYNIOJSA-N 0 1 247.273 2.997 20 0 BFADMN CCCCCC[C@H](CC)C(=O)Nc1c[nH]nn1 ZINC000790062595 585957088 /nfs/dbraw/zinc/95/70/88/585957088.db2.gz 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/nfs/dbraw/zinc/26/24/87/588262487.db2.gz BKWUSKHDJQJGDD-YKWSONSWSA-N 0 1 237.343 2.672 20 0 BFADMN CC(C)(CCN1CCO[C@@H](C(F)F)C1)C1CC1 ZINC000846892521 588295899 /nfs/dbraw/zinc/29/58/99/588295899.db2.gz OZPSEZZWQPNHQA-LLVKDONJSA-N 0 1 247.329 2.779 20 0 BFADMN C[C@H](NCc1cnsn1)[C@@H]1CCC[C@H](C)C1 ZINC000846983961 588300223 /nfs/dbraw/zinc/30/02/23/588300223.db2.gz MHGXMOOCUVLXOS-GARJFASQSA-N 0 1 239.388 2.843 20 0 BFADMN CCC1(C(=O)OCc2cc(C3CC3)[nH]n2)CC1 ZINC000848013789 588347168 /nfs/dbraw/zinc/34/71/68/588347168.db2.gz WBACZTDAFVWOSK-UHFFFAOYSA-N 0 1 234.299 2.521 20 0 BFADMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccsc1 ZINC000848016010 588348068 /nfs/dbraw/zinc/34/80/68/588348068.db2.gz LCJUGSARBWDLID-UHFFFAOYSA-N 0 1 248.307 2.706 20 0 BFADMN CCc1ccccc1-c1noc([C@H](C)NC)n1 ZINC000848621656 588402220 /nfs/dbraw/zinc/40/22/20/588402220.db2.gz NMJFLYKATBEREY-VIFPVBQESA-N 0 1 231.299 2.579 20 0 BFADMN C[C@@H]1CCN(Cc2cnc(Cl)n2C)C[C@@H]1C ZINC000848886748 588416879 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0 1 220.143 2.893 20 0 BFADMN Fc1cccc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000851807942 588631908 /nfs/dbraw/zinc/63/19/08/588631908.db2.gz KLASBROLYTUXMZ-UHFFFAOYSA-N 0 1 220.291 2.597 20 0 BFADMN Fc1cccc(CN2CCC3(CCC3)C2)n1 ZINC000851807942 588631909 /nfs/dbraw/zinc/63/19/09/588631909.db2.gz KLASBROLYTUXMZ-UHFFFAOYSA-N 0 1 220.291 2.597 20 0 BFADMN CSC[C@H]1CCCN1Cc1cccc(F)n1 ZINC000851817345 588633162 /nfs/dbraw/zinc/63/31/62/588633162.db2.gz CWLNFHCKJPYDSU-LLVKDONJSA-N 0 1 240.347 2.548 20 0 BFADMN C[C@H]1CCSCCN1Cc1cccc(F)n1 ZINC000851980661 588651105 /nfs/dbraw/zinc/65/11/05/588651105.db2.gz JCFMKYZDDYDVPQ-JTQLQIEISA-N 0 1 240.347 2.548 20 0 BFADMN CC1=C(C)CN(Cc2cccc(F)n2)CC1 ZINC000852005404 588654226 /nfs/dbraw/zinc/65/42/26/588654226.db2.gz SJQDZMNSEAWTLP-UHFFFAOYSA-N 0 1 220.291 2.763 20 0 BFADMN CN(Cc1cnon1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000852181306 588670039 /nfs/dbraw/zinc/67/00/39/588670039.db2.gz GUHZESBEEAFSNP-VXGBXAGGSA-N 0 1 237.347 2.716 20 0 BFADMN CCCCOC(=O)[C@@H](C)N(CC)[C@H](C)CC ZINC000852292665 588676945 /nfs/dbraw/zinc/67/69/45/588676945.db2.gz GEPBFUFLUYPGLC-VXGBXAGGSA-N 0 1 229.364 2.839 20 0 BFADMN COCCN(CCF)C[C@H](C)c1ccccc1 ZINC000852484108 588684976 /nfs/dbraw/zinc/68/49/76/588684976.db2.gz WRPGHOUETIVBID-ZDUSSCGKSA-N 0 1 239.334 2.708 20 0 BFADMN COc1cccc([C@]2(C)CCN(CCF)C2)c1 ZINC000852536570 588689017 /nfs/dbraw/zinc/68/90/17/588689017.db2.gz XUEVFDGZPDTZQW-CQSZACIVSA-N 0 1 237.318 2.628 20 0 BFADMN CC[C@@H](NCc1nnc(C(C)(C)C)o1)C1CC1 ZINC000852554051 588689463 /nfs/dbraw/zinc/68/94/63/588689463.db2.gz AXKROZDNYLUZJX-SNVBAGLBSA-N 0 1 237.347 2.645 20 0 BFADMN CC[C@H](NCc1nnc(C(C)(C)C)o1)C1CC1 ZINC000852554049 588689609 /nfs/dbraw/zinc/68/96/09/588689609.db2.gz AXKROZDNYLUZJX-JTQLQIEISA-N 0 1 237.347 2.645 20 0 BFADMN CC[C@@H]1CCC[C@H](C)N1Cc1nonc1C ZINC000852712919 588697779 /nfs/dbraw/zinc/69/77/79/588697779.db2.gz ZLKDLERTRJJOER-GXSJLCMTSA-N 0 1 223.320 2.531 20 0 BFADMN c1nonc1CN1CCC[C@H](C2CCCCC2)C1 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590457668 /nfs/dbraw/zinc/45/76/68/590457668.db2.gz LUMGRUHKTSXRQG-UHFFFAOYSA-N 0 1 234.343 2.995 20 0 BFADMN CN(Cc1ccoc1)C[C@@H]1CCC(C)(C)CO1 ZINC000877988079 590466853 /nfs/dbraw/zinc/46/68/53/590466853.db2.gz BZMPHAAKNMYIRI-ZDUSSCGKSA-N 0 1 237.343 2.917 20 0 BFADMN Cc1conc1CN1[C@H](C)CCC[C@H]1C ZINC000878087854 590490552 /nfs/dbraw/zinc/49/05/52/590490552.db2.gz ACZYNCFRWJQJDG-GHMZBOCLSA-N 0 1 208.305 2.746 20 0 BFADMN Cc1n[nH]cc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000126898466 590492579 /nfs/dbraw/zinc/49/25/79/590492579.db2.gz SOXIUCFBFLLQHR-CQSZACIVSA-N 0 1 245.301 2.634 20 0 BFADMN Cc1conc1CN1CCc2ccccc2CC1 ZINC000878111055 590497559 /nfs/dbraw/zinc/49/75/59/590497559.db2.gz PHSFFMQRVQZKLT-UHFFFAOYSA-N 0 1 242.322 2.584 20 0 BFADMN CC[C@@H]1CCCN(Cc2nocc2C)CC1 ZINC000878114559 590498006 /nfs/dbraw/zinc/49/80/06/590498006.db2.gz YGALEWHFGBTLCI-GFCCVEGCSA-N 0 1 222.332 2.995 20 0 BFADMN CN(Cc1ccon1)CC1CC2(CCC2)C1 ZINC000878124093 590500006 /nfs/dbraw/zinc/50/00/06/590500006.db2.gz GIJZIRJTLCLKKS-UHFFFAOYSA-N 0 1 220.316 2.687 20 0 BFADMN C[C@@H]1C[C@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878123858 590500265 /nfs/dbraw/zinc/50/02/65/590500265.db2.gz AIBGBSJKVVHHHR-WDEREUQCSA-N 0 1 234.343 2.784 20 0 BFADMN C[C@@H]1CC[C@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878187544 590519917 /nfs/dbraw/zinc/51/99/17/590519917.db2.gz CGSHLHUNKZFVHL-PHIMTYICSA-N 0 1 234.343 2.926 20 0 BFADMN C[C@@H]1CC[C@@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878187543 590519933 /nfs/dbraw/zinc/51/99/33/590519933.db2.gz CGSHLHUNKZFVHL-GHMZBOCLSA-N 0 1 234.343 2.926 20 0 BFADMN C[C@@H]1OCCN(CC[C@H]2CCCC2(F)F)[C@H]1C ZINC000878196669 590523362 /nfs/dbraw/zinc/52/33/62/590523362.db2.gz ICYSMMBBAHJENC-SDDRHHMPSA-N 0 1 247.329 2.921 20 0 BFADMN Cc1conc1CN(C(C)C)C1CCC1 ZINC000878256181 590529294 /nfs/dbraw/zinc/52/92/94/590529294.db2.gz XHFBBCVRNHXFNU-UHFFFAOYSA-N 0 1 208.305 2.746 20 0 BFADMN C=C/C=C/CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000878337048 590549562 /nfs/dbraw/zinc/54/95/62/590549562.db2.gz AGSKXAAJRSESOE-AAOUONPWSA-N 0 1 217.316 2.679 20 0 BFADMN C=C/C=C/CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000878337048 590549565 /nfs/dbraw/zinc/54/95/65/590549565.db2.gz AGSKXAAJRSESOE-AAOUONPWSA-N 0 1 217.316 2.679 20 0 BFADMN C=C/C=C/CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000878337050 590549628 /nfs/dbraw/zinc/54/96/28/590549628.db2.gz AGSKXAAJRSESOE-PCAWENJQSA-N 0 1 217.316 2.679 20 0 BFADMN C=C/C=C/CCN1CCC[C@H]1c1ncc[nH]1 ZINC000878337050 590549632 /nfs/dbraw/zinc/54/96/32/590549632.db2.gz AGSKXAAJRSESOE-PCAWENJQSA-N 0 1 217.316 2.679 20 0 BFADMN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1cn[nH]c1C ZINC000878360212 590553869 /nfs/dbraw/zinc/55/38/69/590553869.db2.gz ZDBYYWHQOLXFSR-TZMCWYRMSA-N 0 1 249.358 2.551 20 0 BFADMN Cc1conc1CN(C)C[C@H]1CC=CCC1 ZINC000878404203 590560333 /nfs/dbraw/zinc/56/03/33/590560333.db2.gz LNRWUOXNAPEGJE-LBPRGKRZSA-N 0 1 220.316 2.771 20 0 BFADMN Cc1conc1CN(C)C[C@@H]1CC=CCC1 ZINC000878404202 590560680 /nfs/dbraw/zinc/56/06/80/590560680.db2.gz LNRWUOXNAPEGJE-GFCCVEGCSA-N 0 1 220.316 2.771 20 0 BFADMN C=C/C=C\CCN(CC(=O)OCC)C1CCC1 ZINC000878439124 590567171 /nfs/dbraw/zinc/56/71/71/590567171.db2.gz SBYZCBZIIZGTKN-WAYWQWQTSA-N 0 1 237.343 2.536 20 0 BFADMN C=C/C=C/CCN([C@@H](C)C(=O)OC)C1CCC1 ZINC000878501306 590580502 /nfs/dbraw/zinc/58/05/02/590580502.db2.gz MPDHHPJXHWBUMN-FYJFLYSWSA-N 0 1 237.343 2.535 20 0 BFADMN C[C@H]1CCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878508805 590583211 /nfs/dbraw/zinc/58/32/11/590583211.db2.gz ZBQWNLOKVFLEIE-QWRGUYRKSA-N 0 1 234.343 2.832 20 0 BFADMN Cc1conc1CN1CCSC(C)(C)CC1 ZINC000878527314 590586712 /nfs/dbraw/zinc/58/67/12/590586712.db2.gz CMJKRAWGRHFKNV-UHFFFAOYSA-N 0 1 240.372 2.701 20 0 BFADMN Cc1conc1CN(C)C1(C)CCCC1 ZINC000878526690 590586788 /nfs/dbraw/zinc/58/67/88/590586788.db2.gz NKXQLUPXWMZFAX-UHFFFAOYSA-N 0 1 208.305 2.748 20 0 BFADMN C=C/C=C/CCN[C@@H](C)c1cc(C)on1 ZINC000878561621 590591938 /nfs/dbraw/zinc/59/19/38/590591938.db2.gz UWSAFCGCAXOTNJ-QRGHLMKCSA-N 0 1 206.289 2.766 20 0 BFADMN C=C/C=C/CCN1CCC[C@H]1c1nc(C)no1 ZINC000878614009 590596482 /nfs/dbraw/zinc/59/64/82/590596482.db2.gz BDQMEZSZEWYGHM-ITKZLYELSA-N 0 1 233.315 2.647 20 0 BFADMN Cc1conc1CN(C)C1CCC(F)(F)CC1 ZINC000878619207 590597011 /nfs/dbraw/zinc/59/70/11/590597011.db2.gz BHMOALIJVRYFMH-UHFFFAOYSA-N 0 1 244.285 2.993 20 0 BFADMN Cc1ccoc1CN(C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878643690 590600212 /nfs/dbraw/zinc/60/02/12/590600212.db2.gz OFNPFOGWIGXCLH-IHRRRGAJSA-N 0 1 249.354 2.977 20 0 BFADMN Cc1ccoc1CN(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878644453 590600586 /nfs/dbraw/zinc/60/05/86/590600586.db2.gz VZXYORATURBMRY-ZDUSSCGKSA-N 0 1 249.354 2.979 20 0 BFADMN C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1nc2c(o1)CCCC2 ZINC000878705480 590612938 /nfs/dbraw/zinc/61/29/38/590612938.db2.gz YFNGJPBVHRTUKC-WOPDTQHZSA-N 0 1 246.354 2.832 20 0 BFADMN Cc1conc1CN1CC[C@@H](C)C[C@H]1C ZINC000878728492 590617769 /nfs/dbraw/zinc/61/77/69/590617769.db2.gz OKPBLIQYRZDANI-MWLCHTKSSA-N 0 1 208.305 2.603 20 0 BFADMN ClC1=CCCN(CC[C@@H]2CCCCO2)C1 ZINC000878790535 590621082 /nfs/dbraw/zinc/62/10/82/590621082.db2.gz OOIYXGQJNFZJJD-LBPRGKRZSA-N 0 1 229.751 2.774 20 0 BFADMN CC1(C)CO[C@H](CN2CCC=C(Cl)C2)C1 ZINC000878790103 590622429 /nfs/dbraw/zinc/62/24/29/590622429.db2.gz LUVJROQMGGOWGO-NSHDSACASA-N 0 1 229.751 2.630 20 0 BFADMN C=C/C=C\CCN1Cc2ccc(O)cc2C1 ZINC000879034114 590682526 /nfs/dbraw/zinc/68/25/26/590682526.db2.gz YBUXNPHPBKGYCP-ARJAWSKDSA-N 0 1 215.296 2.840 20 0 BFADMN FCCC1CCN(C/C=C\Cl)CC1 ZINC000879208543 590715102 /nfs/dbraw/zinc/71/51/02/590715102.db2.gz AATLRKZFOGASOR-KTAJNNJTSA-N 0 1 205.704 2.811 20 0 BFADMN Cc1ncc([C@H](C)NC/C=C/Cl)s1 ZINC000879251477 590720872 /nfs/dbraw/zinc/72/08/72/590720872.db2.gz KTFUNXUTDGGYNR-SDLBARTOSA-N 0 1 216.737 2.855 20 0 BFADMN CCC(F)(F)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879564707 590805089 /nfs/dbraw/zinc/80/50/89/590805089.db2.gz KQWMBUGJSGPXFK-NXEZZACHSA-N 0 1 235.343 2.717 20 0 BFADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000127947208 590849333 /nfs/dbraw/zinc/84/93/33/590849333.db2.gz IHBAHGCMOTVJCU-RYUDHWBXSA-N 0 1 227.348 2.752 20 0 BFADMN COCCN1CCc2ccc(Cl)c(C)c2C1 ZINC000879767700 590866190 /nfs/dbraw/zinc/86/61/90/590866190.db2.gz NCACBLYDIVNZEB-UHFFFAOYSA-N 0 1 239.746 2.653 20 0 BFADMN CCCC(C)=CC(=O)Nc1cccc2[nH]nnc21 ZINC000880196218 590956853 /nfs/dbraw/zinc/95/68/53/590956853.db2.gz IVRKLCVKJIJUBC-CMDGGOBGSA-N 0 1 244.298 2.643 20 0 BFADMN FC[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000880234765 590964487 /nfs/dbraw/zinc/96/44/87/590964487.db2.gz VSBHVZRYWWHCNM-SNVBAGLBSA-N 0 1 242.725 2.917 20 0 BFADMN Cc1cnc([C@@H](C)N2CCC[C@H](CF)C2)cn1 ZINC000880238544 590971727 /nfs/dbraw/zinc/97/17/27/590971727.db2.gz UIEHPLKBJDXEFN-VXGBXAGGSA-N 0 1 237.322 2.528 20 0 BFADMN Fc1ccc(CN2CCC(F)CC2)cc1 ZINC000880240226 590973942 /nfs/dbraw/zinc/97/39/42/590973942.db2.gz QKLZIAPJWBKIIQ-UHFFFAOYSA-N 0 1 211.255 2.760 20 0 BFADMN Fc1ccccc1CN1CCC(F)CC1 ZINC000880242774 590975288 /nfs/dbraw/zinc/97/52/88/590975288.db2.gz KNBKCFDLSPPNQI-UHFFFAOYSA-N 0 1 211.255 2.760 20 0 BFADMN FC[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000880293709 590989762 /nfs/dbraw/zinc/98/97/62/590989762.db2.gz OJZRXJBLMNPGSE-SECBINFHSA-N 0 1 228.698 2.526 20 0 BFADMN C[C@@H]1c2sccc2CCN1Cc1cn[nH]c1 ZINC000880376446 591017000 /nfs/dbraw/zinc/01/70/00/591017000.db2.gz GRMWKCYJEVVSOE-SECBINFHSA-N 0 1 233.340 2.591 20 0 BFADMN CC(C)Nc1ccc(CN(C)C)c(F)c1 ZINC000128670756 591147735 /nfs/dbraw/zinc/14/77/35/591147735.db2.gz ILYGWCQDIYFYQK-UHFFFAOYSA-N 0 1 210.296 2.708 20 0 BFADMN COC[C@@H](NC/C(Cl)=C\Cl)C(C)C ZINC000211218662 591148111 /nfs/dbraw/zinc/14/81/11/591148111.db2.gz MGAAVPVVTWRBJT-VGANXODHSA-N 0 1 226.147 2.566 20 0 BFADMN CCC[C@@H](C)CCNC(=O)c1[nH]nc(C)c1C ZINC000881530859 591231145 /nfs/dbraw/zinc/23/11/45/591231145.db2.gz ZUQOGBCDOWHJEJ-SECBINFHSA-N 0 1 237.347 2.583 20 0 BFADMN CCCCCCN(C)[C@@H](C)C(=O)OC(C)C ZINC000129592603 591330120 /nfs/dbraw/zinc/33/01/20/591330120.db2.gz WUVYIBJRVSOTBM-LBPRGKRZSA-N 0 1 229.364 2.839 20 0 BFADMN O=C1[C@@H]2CCCCC2=NN1c1cccnc1Cl ZINC000129800565 591405777 /nfs/dbraw/zinc/40/57/77/591405777.db2.gz YAIFEJYEIDBATC-MRVPVSSYSA-N 0 1 249.701 2.628 20 0 BFADMN O=c1c2c([nH]n1-c1cccnc1Cl)CCCC2 ZINC000129800565 591405779 /nfs/dbraw/zinc/40/57/79/591405779.db2.gz YAIFEJYEIDBATC-MRVPVSSYSA-N 0 1 249.701 2.628 20 0 BFADMN Cc1nnc(CN(C)C2CCCCCCC2)o1 ZINC000130195944 591447577 /nfs/dbraw/zinc/44/75/77/591447577.db2.gz CCBCLJOKZRPOST-UHFFFAOYSA-N 0 1 237.347 2.923 20 0 BFADMN FC[C@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC000882838794 591450002 /nfs/dbraw/zinc/45/00/02/591450002.db2.gz WTNCPQHUESBEMR-MRVPVSSYSA-N 0 1 248.223 2.896 20 0 BFADMN CC(C)c1c[nH]c(CN[C@H]2CC23CCCC3)n1 ZINC000883102869 591540333 /nfs/dbraw/zinc/54/03/33/591540333.db2.gz DAKXVLMSWPMIEP-LBPRGKRZSA-N 0 1 233.359 2.955 20 0 BFADMN CC(C)c1c[nH]c(CNCCC(C)(F)F)n1 ZINC000883131609 591545624 /nfs/dbraw/zinc/54/56/24/591545624.db2.gz KHXHLOKHXYKZRC-UHFFFAOYSA-N 0 1 231.290 2.668 20 0 BFADMN CC(C)c1c[nH]c(CN[C@H]2CS[C@@H](C)C2)n1 ZINC000883145940 591551793 /nfs/dbraw/zinc/55/17/93/591551793.db2.gz UPNGRPLKHGLIMO-VHSXEESVSA-N 0 1 239.388 2.517 20 0 BFADMN CC[C@H](NC/C=C/CO)c1sccc1Cl ZINC000883235266 591582405 /nfs/dbraw/zinc/58/24/05/591582405.db2.gz YNQAKKYGSKRXBL-FSIBCCDJSA-N 0 1 245.775 2.991 20 0 BFADMN C[C@@H](N[C@H]1CCOC1)c1nc2ccccc2s1 ZINC000131302777 591588437 /nfs/dbraw/zinc/58/84/37/591588437.db2.gz JIEJDERPIBYAJK-ZJUUUORDSA-N 0 1 248.351 2.736 20 0 BFADMN Cc1cc(CNCC[C@H]2CCCC2(F)F)no1 ZINC000883264481 591599880 /nfs/dbraw/zinc/59/98/80/591599880.db2.gz CAEJQTNPGWGWIG-SNVBAGLBSA-N 0 1 244.285 2.898 20 0 BFADMN C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2F)CO1 ZINC000883378096 591637194 /nfs/dbraw/zinc/63/71/94/591637194.db2.gz YYOGFCOQXPONJA-BQPHKTIFSA-N 0 1 249.329 2.779 20 0 BFADMN F[C@@H]1CCc2ccccc2[C@H]1N[C@@H]1CCCOC1 ZINC000883376861 591637339 /nfs/dbraw/zinc/63/73/39/591637339.db2.gz UUFZCFWBJADHCU-BPLDGKMQSA-N 0 1 249.329 2.781 20 0 BFADMN CCC[N@@H+](CC[C@@H]1CCCC1(F)F)CC(=O)[O-] ZINC000883405485 591650403 /nfs/dbraw/zinc/65/04/03/591650403.db2.gz PZIYHAKDEVHJIZ-JTQLQIEISA-N 0 1 249.301 2.609 20 0 BFADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883409547 591651329 /nfs/dbraw/zinc/65/13/29/591651329.db2.gz ZDYBQZPDGWCHNQ-VHSXEESVSA-N 0 1 249.301 2.607 20 0 BFADMN C[C@H](CCO)N[C@@H](c1ccco1)c1ccccc1 ZINC000132581347 591720669 /nfs/dbraw/zinc/72/06/69/591720669.db2.gz JVWRTGPGURSNLL-IUODEOHRSA-N 0 1 245.322 2.730 20 0 BFADMN C/C(=C\C[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000214733004 591781199 /nfs/dbraw/zinc/78/11/99/591781199.db2.gz TZNLHQOFOIIEOM-DHZHZOJOSA-N 0 1 225.332 2.529 20 0 BFADMN Cc1[nH]nc(CNc2ccc(C)cc2)c1C ZINC000885928911 592108615 /nfs/dbraw/zinc/10/86/15/592108615.db2.gz IARINZFOZAXKOK-UHFFFAOYSA-N 0 1 215.300 2.947 20 0 BFADMN C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)CO1 ZINC000885940357 592110596 /nfs/dbraw/zinc/11/05/96/592110596.db2.gz HLXWHTINJGCXNU-UNJBNNCHSA-N 0 1 223.360 2.532 20 0 BFADMN CN(Cc1ccoc1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885962459 592115600 /nfs/dbraw/zinc/11/56/00/592115600.db2.gz 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NDMYFKCBPZPUBG-SECBINFHSA-N 0 1 241.281 2.958 20 0 BFADMN Cc1ccc2[nH]c(CN3CC=CC3)cc2c1 ZINC001138419780 990943859 /nfs/dbraw/zinc/94/38/59/990943859.db2.gz ZUVCETVOJUMBCD-UHFFFAOYSA-N 0 1 212.296 2.848 20 0 BFADMN Cc1nnc(CN[C@@H](C)C[C@H](C)CC(C)C)o1 ZINC001258064881 990958908 /nfs/dbraw/zinc/95/89/08/990958908.db2.gz WZWLWNMUAKEYDP-MNOVXSKESA-N 0 1 239.363 2.928 20 0 BFADMN CC(C)C[C@@H](C)C[C@@H](C)N1CCC12COC2 ZINC001258067443 990962133 /nfs/dbraw/zinc/96/21/33/990962133.db2.gz ARYJBLTWPFJYNJ-CHWSQXEVSA-N 0 1 225.376 2.922 20 0 BFADMN Cc1c[nH]c(CNCC=Cc2ccccc2)n1 ZINC001308348747 990968841 /nfs/dbraw/zinc/96/88/41/990968841.db2.gz KOZWMYACUMCKOK-YVMONPNESA-N 0 1 227.311 2.521 20 0 BFADMN CC(C)CCC(=O)Nc1ccc2cncn2c1 ZINC001558589857 990970812 /nfs/dbraw/zinc/97/08/12/990970812.db2.gz NPGCBQRUSHUOHX-UHFFFAOYSA-N 0 1 231.299 2.709 20 0 BFADMN CCC(CC)C(=O)Nc1ccc2cncn2c1 ZINC001558590020 990971667 /nfs/dbraw/zinc/97/16/67/990971667.db2.gz UVKDQFXOAIGPEU-UHFFFAOYSA-N 0 1 231.299 2.709 20 0 BFADMN CC1(C(=O)Nc2ccc3cncn3c2)CC=CC1 ZINC001558590829 990976157 /nfs/dbraw/zinc/97/61/57/990976157.db2.gz DQTRDIAWFYLLIZ-UHFFFAOYSA-N 0 1 241.294 2.629 20 0 BFADMN CCC[C@@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001558590198 990976200 /nfs/dbraw/zinc/97/62/00/990976200.db2.gz BVWMXSHLDVQKCY-SNVBAGLBSA-N 0 1 231.299 2.709 20 0 BFADMN CC(C)=CCC[C@@H](C)NCc1ncc(F)cn1 ZINC001258080156 990979473 /nfs/dbraw/zinc/97/94/73/990979473.db2.gz ZMAFLYYAOGUTGW-LLVKDONJSA-N 0 1 237.322 2.840 20 0 BFADMN C[C@@]1(F)CCCN(Cc2cnc3[nH]ccc3c2)C1 ZINC001138736677 991023728 /nfs/dbraw/zinc/02/37/28/991023728.db2.gz ADHDVOTZUKQQFS-CQSZACIVSA-N 0 1 247.317 2.887 20 0 BFADMN C[C@@H]1CC(NCc2ncc(F)cn2)C[C@@H](C)C1 ZINC001258150806 991026960 /nfs/dbraw/zinc/02/69/60/991026960.db2.gz AKHBEMLBWGGZSC-UWVGGRQHSA-N 0 1 237.322 2.530 20 0 BFADMN C[C@H]1CCCN1Cc1ccnn1[C@H]1CCCCO1 ZINC001138773823 991039054 /nfs/dbraw/zinc/03/90/54/991039054.db2.gz OTWZHTRVXXRFCR-GXTWGEPZSA-N 0 1 249.358 2.567 20 0 BFADMN C[C@H]1CCCN1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138773824 991040059 /nfs/dbraw/zinc/04/00/59/991040059.db2.gz OTWZHTRVXXRFCR-JSGCOSHPSA-N 0 1 249.358 2.567 20 0 BFADMN C[C@@H]1CCCN1Cc1ccnn1[C@H]1CCCCO1 ZINC001138773826 991040383 /nfs/dbraw/zinc/04/03/83/991040383.db2.gz OTWZHTRVXXRFCR-TZMCWYRMSA-N 0 1 249.358 2.567 20 0 BFADMN C[C@H]1C[C@H](NC2(c3ncccn3)CC2)C[C@@H](C)C1 ZINC001258157062 991043327 /nfs/dbraw/zinc/04/33/27/991043327.db2.gz YTWGSOMUDUXINI-ITGUQSILSA-N 0 1 245.370 2.880 20 0 BFADMN Cc1cc(CN(C)CCOCC2CC2)cc(C)n1 ZINC001308574698 991044877 /nfs/dbraw/zinc/04/48/77/991044877.db2.gz GVKHHLPDRMYWSF-UHFFFAOYSA-N 0 1 248.370 2.557 20 0 BFADMN C[C@@H]1CCCN(Cc2cccnc2F)[C@@H]1C ZINC001138788711 991054099 /nfs/dbraw/zinc/05/40/99/991054099.db2.gz HGJJAKOZZVOOPZ-GHMZBOCLSA-N 0 1 222.307 2.841 20 0 BFADMN C[C@H]1C[C@H](N2CCc3c(ncn3C)C2)C[C@@H](C)C1 ZINC001258166858 991060665 /nfs/dbraw/zinc/06/06/65/991060665.db2.gz BJFGABHPLFIDOX-ITGUQSILSA-N 0 1 247.386 2.603 20 0 BFADMN C[C@H]1C[C@H](N2CCn3cncc3C2)C[C@@H](C)C1 ZINC001258169401 991066197 /nfs/dbraw/zinc/06/61/97/991066197.db2.gz ZDBMTQPASCJHMO-ITGUQSILSA-N 0 1 233.359 2.523 20 0 BFADMN C[C@@H]1CC(N2CCc3cnn(C)c3C2)C[C@@H](C)C1 ZINC001258171498 991071219 /nfs/dbraw/zinc/07/12/19/991071219.db2.gz QZSFCGRNUQRKLC-RYUDHWBXSA-N 0 1 247.386 2.603 20 0 BFADMN C[C@@]1(CF)CCN(Cc2ccnc(Cl)c2)C1 ZINC001138816582 991071295 /nfs/dbraw/zinc/07/12/95/991071295.db2.gz ZCRWQLHLCYNLTG-LBPRGKRZSA-N 0 1 242.725 2.917 20 0 BFADMN C[C@@H](Cc1ccco1)NCC(=O)c1ccccc1 ZINC001258176523 991075048 /nfs/dbraw/zinc/07/50/48/991075048.db2.gz YVJUWRSNHOLTPJ-LBPRGKRZSA-N 0 1 243.306 2.683 20 0 BFADMN CCn1ccc(CN2C[C@@H](C)CC(C)(C)C2)n1 ZINC001308638956 991075607 /nfs/dbraw/zinc/07/56/07/991075607.db2.gz LHLHCAUGAOVCFW-LBPRGKRZSA-N 0 1 235.375 2.771 20 0 BFADMN Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)nn1C ZINC001138826508 991076339 /nfs/dbraw/zinc/07/63/39/991076339.db2.gz BKCZIYBOJQPISI-NWDGAFQWSA-N 0 1 235.375 2.597 20 0 BFADMN CCCC[N@@H+](CCC)Cc1cc(C)n(C)n1 ZINC001138827788 991080471 /nfs/dbraw/zinc/08/04/71/991080471.db2.gz FQCXNGVXLABULI-UHFFFAOYSA-N 0 1 223.364 2.741 20 0 BFADMN CCN(CCC1CC1)Cc1ncccc1F ZINC001308667316 991086992 /nfs/dbraw/zinc/08/69/92/991086992.db2.gz HQXZTOHCEDVHQT-UHFFFAOYSA-N 0 1 222.307 2.843 20 0 BFADMN C[C@@H]1CC[C@H]1NCc1nc(-c2ccccc2)no1 ZINC001308672890 991091368 /nfs/dbraw/zinc/09/13/68/991091368.db2.gz STKFCFIEJKPBQJ-ZYHUDNBSSA-N 0 1 243.310 2.625 20 0 BFADMN C[C@H](Cc1ccco1)N1CCC(=O)[C@@H](C)CC1 ZINC001258186520 991095183 /nfs/dbraw/zinc/09/51/83/991095183.db2.gz OEUDCWCHXOZWME-NWDGAFQWSA-N 0 1 235.327 2.512 20 0 BFADMN C[C@@H](Cc1ccco1)N1CCCC(=O)[C@H](C)C1 ZINC001258186637 991096058 /nfs/dbraw/zinc/09/60/58/991096058.db2.gz QMAKSDLXCSSVPZ-NEPJUHHUSA-N 0 1 235.327 2.512 20 0 BFADMN C[C@H](Cc1ccco1)N1CCC[C@H](F)C1 ZINC001258192413 991104722 /nfs/dbraw/zinc/10/47/22/991104722.db2.gz KXNZZSLTIBTVQA-MNOVXSKESA-N 0 1 211.280 2.645 20 0 BFADMN CCC[N@@H+](Cc1nc(C)c[nH]1)[C@@H](C)CC ZINC001138935199 991106118 /nfs/dbraw/zinc/10/61/18/991106118.db2.gz GWCOMGKAOYFPJE-NSHDSACASA-N 0 1 209.337 2.729 20 0 BFADMN CN(Cc1c2cc[nH]c2ncc1Cl)C1CC1 ZINC001138946220 991115807 /nfs/dbraw/zinc/11/58/07/991115807.db2.gz BBTVGJKQHMKSOL-UHFFFAOYSA-N 0 1 235.718 2.762 20 0 BFADMN Cc1noc([C@@H](C)N[C@@H]2CC[C@@H]3CCC[C@H]23)n1 ZINC001308737979 991115843 /nfs/dbraw/zinc/11/58/43/991115843.db2.gz DHJDISNGKMMOGW-NUGNTBJXSA-N 0 1 235.331 2.607 20 0 BFADMN C[C@@H](NCc1cccnc1N)c1ccccc1 ZINC000083355575 991119592 /nfs/dbraw/zinc/11/95/92/991119592.db2.gz FVRJSFBFPSCHKA-LLVKDONJSA-N 0 1 227.311 2.515 20 0 BFADMN CCCOc1ccccc1CN(C)[C@H]1CCOC1 ZINC001138999577 991123042 /nfs/dbraw/zinc/12/30/42/991123042.db2.gz DGECMNCMJRRTGT-AWEZNQCLSA-N 0 1 249.354 2.696 20 0 BFADMN CCc1nc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)co1 ZINC001308770182 991124777 /nfs/dbraw/zinc/12/47/77/991124777.db2.gz RGPULGQLPJFUIH-WCFLWFBJSA-N 0 1 234.343 2.905 20 0 BFADMN CC1CN(Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139012976 991125174 /nfs/dbraw/zinc/12/51/74/991125174.db2.gz XLHYYADVEUCVRV-UHFFFAOYSA-N 0 1 230.233 2.552 20 0 BFADMN C[C@@H]1CCCC[C@H]1CN1CC(OCC(F)F)C1 ZINC001308808290 991147294 /nfs/dbraw/zinc/14/72/94/991147294.db2.gz UHNOGNQKTNYMNR-MNOVXSKESA-N 0 1 247.329 2.779 20 0 BFADMN CN(CCF)Cc1cccc2c1ccn2C ZINC001139162908 991175193 /nfs/dbraw/zinc/17/51/93/991175193.db2.gz FFLCYFLENNNASM-UHFFFAOYSA-N 0 1 220.291 2.580 20 0 BFADMN c1cc2n(n1)CCN(C1CCCCCCC1)C2 ZINC001258243947 991187351 /nfs/dbraw/zinc/18/73/51/991187351.db2.gz JMWNQTRXFZDSOG-UHFFFAOYSA-N 0 1 233.359 2.812 20 0 BFADMN COc1nscc1CN1CC[C@H](C)[C@H](C)C1 ZINC001559654876 991196934 /nfs/dbraw/zinc/19/69/34/991196934.db2.gz OTKYMGPSHIPMHU-VHSXEESVSA-N 0 1 240.372 2.630 20 0 BFADMN COc1nscc1CN1CC[C@@H](C)[C@H](C)C1 ZINC001559654870 991200300 /nfs/dbraw/zinc/20/03/00/991200300.db2.gz OTKYMGPSHIPMHU-NXEZZACHSA-N 0 1 240.372 2.630 20 0 BFADMN CC1(C)CCC[C@H](NCc2ncco2)C1 ZINC001258275302 991201008 /nfs/dbraw/zinc/20/10/08/991201008.db2.gz JLCNOZPEZQLRDV-JTQLQIEISA-N 0 1 208.305 2.733 20 0 BFADMN C[C@H](c1ccccc1)N(C/C=C/Cl)CCO ZINC001559664021 991203941 /nfs/dbraw/zinc/20/39/41/991203941.db2.gz UVMVEJSTEDSJQJ-FZKGZDJFSA-N 0 1 239.746 2.794 20 0 BFADMN Cc1cnc(CN)n1[C@H]1CCCC(C)(C)C1 ZINC001258276280 991204478 /nfs/dbraw/zinc/20/44/78/991204478.db2.gz FHLIHODOSDWBKL-NSHDSACASA-N 0 1 221.348 2.792 20 0 BFADMN C[C@H](c1ccccc1)N(C/C=C\Cl)CCO ZINC001559664022 991205962 /nfs/dbraw/zinc/20/59/62/991205962.db2.gz UVMVEJSTEDSJQJ-VVEJJEBESA-N 0 1 239.746 2.794 20 0 BFADMN Nc1ncc(CN2CC[C@H]2c2ccccc2)s1 ZINC001139230670 991206780 /nfs/dbraw/zinc/20/67/80/991206780.db2.gz GZCSYOOSUSGHIR-LBPRGKRZSA-N 0 1 245.351 2.672 20 0 BFADMN Fc1ccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001559665436 991207299 /nfs/dbraw/zinc/20/72/99/991207299.db2.gz KNQSRNFVLWGOPO-NEPJUHHUSA-N 0 1 241.256 2.913 20 0 BFADMN CC1(C)CCC[C@@H](N2CCC[C@H](F)C(=O)C2)C1 ZINC001258281976 991210775 /nfs/dbraw/zinc/21/07/75/991210775.db2.gz DFYHPWASKZGJOO-NEPJUHHUSA-N 0 1 241.350 2.958 20 0 BFADMN CC1(C)CCC[C@@H](N2C[C@@H](F)[C@H](F)C2)C1 ZINC001258285885 991219046 /nfs/dbraw/zinc/21/90/46/991219046.db2.gz OJDCUONURVKLAF-GMTAPVOTSA-N 0 1 217.303 2.947 20 0 BFADMN CCCCCC(=O)N1CCN(CCCC)CC1 ZINC000226235102 991225222 /nfs/dbraw/zinc/22/52/22/991225222.db2.gz OIPLITGXELSEJY-UHFFFAOYSA-N 0 1 240.391 2.511 20 0 BFADMN CC1CN(Cc2ccc(N3CCCCC3)nc2)C1 ZINC001139341736 991225784 /nfs/dbraw/zinc/22/57/84/991225784.db2.gz CVWHBHXHWZSAOC-UHFFFAOYSA-N 0 1 245.370 2.524 20 0 BFADMN CSC(C)(C)C[C@@H](C)n1c(C)cnc1CN ZINC001258323892 991249317 /nfs/dbraw/zinc/24/93/17/991249317.db2.gz JEDGGTLAXITMOI-SECBINFHSA-N 0 1 241.404 2.743 20 0 BFADMN c1ccc(-c2ccc(CN3CCC3)cn2)cc1 ZINC001139516194 991258339 /nfs/dbraw/zinc/25/83/39/991258339.db2.gz XDYJUKYRDSLEKA-UHFFFAOYSA-N 0 1 224.307 2.954 20 0 BFADMN CC1(C)CCCN1Cc1cn2c(cccc2F)n1 ZINC001139569201 991269655 /nfs/dbraw/zinc/26/96/55/991269655.db2.gz AMKORONVMHDTJT-UHFFFAOYSA-N 0 1 247.317 2.848 20 0 BFADMN CCOc1ccncc1CN(C)CC(C)(C)C ZINC001139630877 991300799 /nfs/dbraw/zinc/30/07/99/991300799.db2.gz NNFNIKGOSVYJRJ-UHFFFAOYSA-N 0 1 236.359 2.958 20 0 BFADMN CCOc1ccncc1CN(C)C1CC(C)C1 ZINC001139627044 991301893 /nfs/dbraw/zinc/30/18/93/991301893.db2.gz DARUZDZJIDVPJO-UHFFFAOYSA-N 0 1 234.343 2.711 20 0 BFADMN CCOc1ccncc1CN1CCCC[C@H]1C ZINC001139627507 991303066 /nfs/dbraw/zinc/30/30/66/991303066.db2.gz SGJYVQLFABRZJZ-GFCCVEGCSA-N 0 1 234.343 2.855 20 0 BFADMN Cc1cc(O)cc(C)c1CN1CCOCC1(C)C ZINC001139714076 991336141 /nfs/dbraw/zinc/33/61/41/991336141.db2.gz QBYYTCWUHARVMI-UHFFFAOYSA-N 0 1 249.354 2.620 20 0 BFADMN CCCN1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001559929597 991336528 /nfs/dbraw/zinc/33/65/28/991336528.db2.gz OGTDWADZFMWAAL-RYUDHWBXSA-N 0 1 241.375 2.839 20 0 BFADMN CCCCC(CCCC)N1CC[C@H]1C(=O)OC ZINC001258384727 991341444 /nfs/dbraw/zinc/34/14/44/991341444.db2.gz JNTJRRRGTSGBIM-ZDUSSCGKSA-N 0 1 241.375 2.983 20 0 BFADMN CC[C@@H](C)N(C)Cc1cc(Cl)cnc1OC ZINC001139746060 991349853 /nfs/dbraw/zinc/34/98/53/991349853.db2.gz UCEFYGWNPSMKOL-SECBINFHSA-N 0 1 242.750 2.974 20 0 BFADMN COc1ncc(Cl)cc1CN(C)CC(C)C ZINC001139744842 991350245 /nfs/dbraw/zinc/35/02/45/991350245.db2.gz VBTYRABHTSERSG-UHFFFAOYSA-N 0 1 242.750 2.831 20 0 BFADMN COc1ncc(Cl)cc1CN(C)C(C)C ZINC001139744673 991351964 /nfs/dbraw/zinc/35/19/64/991351964.db2.gz OJNUDYYLJPWWSU-UHFFFAOYSA-N 0 1 228.723 2.584 20 0 BFADMN CCCCC[C@@H](CC)NCc1ncccn1 ZINC001258429755 991356287 /nfs/dbraw/zinc/35/62/87/991356287.db2.gz BWHJHVYSKFFKNY-GFCCVEGCSA-N 0 1 221.348 2.925 20 0 BFADMN [CH2]CC[N@@H+](CCN)[C@H](CC)CCCCC ZINC001258435952 991371699 /nfs/dbraw/zinc/37/16/99/991371699.db2.gz GMOMHMOWRNJVCL-CYBMUJFWSA-N 0 1 213.389 2.830 20 0 BFADMN CCCCC[C@H](CC)N1CCO[C@H](C(C)=O)C1 ZINC001258447472 991392783 /nfs/dbraw/zinc/39/27/83/991392783.db2.gz CLBBVYQKWXULEH-KBPBESRZSA-N 0 1 241.375 2.635 20 0 BFADMN COc1cc(CN(C)CCC2CCC2)sn1 ZINC001560173626 991403204 /nfs/dbraw/zinc/40/32/04/991403204.db2.gz 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/nfs/dbraw/zinc/39/03/66/386390366.db2.gz NATYKOQKIDGPDZ-JTQLQIEISA-N 0 1 237.347 2.643 20 0 BFADMN CC[N@@H+](CCOC)Cc1ccc(Cl)cc1F ZINC000347353945 386392166 /nfs/dbraw/zinc/39/21/66/386392166.db2.gz RJGWKWPMYVQYNZ-UHFFFAOYSA-N 0 1 245.725 2.947 20 0 BFADMN CCN(CCOC)Cc1ccc(Cl)cc1F ZINC000347353945 386392170 /nfs/dbraw/zinc/39/21/70/386392170.db2.gz RJGWKWPMYVQYNZ-UHFFFAOYSA-N 0 1 245.725 2.947 20 0 BFADMN CCOC(=O)[C@@H](C)N(CC(CC)CC)C1CC1 ZINC000347417595 386397341 /nfs/dbraw/zinc/39/73/41/386397341.db2.gz RMUOIRTZPXIZIX-LLVKDONJSA-N 0 1 241.375 2.839 20 0 BFADMN CC[C@@H](Cc1nc(C2(N)CCC2)no1)C(C)C ZINC000339392163 386403085 /nfs/dbraw/zinc/40/30/85/386403085.db2.gz LZMGKMDBNOUSSV-JTQLQIEISA-N 0 1 237.347 2.632 20 0 BFADMN CC[C@H]1C[C@@H](C)CN1Cc1nnc(C(C)C)o1 ZINC000336702121 386404469 /nfs/dbraw/zinc/40/44/69/386404469.db2.gz MBRQNZJGPIWGRZ-MNOVXSKESA-N 0 1 237.347 2.813 20 0 BFADMN CCCC1(c2nc([C@@H](N)CC(C)C)no2)CC1 ZINC000339397873 386405485 /nfs/dbraw/zinc/40/54/85/386405485.db2.gz TWTWFIPAJUMHNL-JTQLQIEISA-N 0 1 237.347 2.947 20 0 BFADMN CCCC1(c2nc([C@H](N)CC(C)C)no2)CC1 ZINC000339397874 386405871 /nfs/dbraw/zinc/40/58/71/386405871.db2.gz TWTWFIPAJUMHNL-SNVBAGLBSA-N 0 1 237.347 2.947 20 0 BFADMN Cc1ccoc1CNCc1cccc(N(C)C)c1 ZINC000266190173 386408208 /nfs/dbraw/zinc/40/82/08/386408208.db2.gz IINMNOUMPARYHU-UHFFFAOYSA-N 0 1 244.338 2.944 20 0 BFADMN CC[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000336707364 386410149 /nfs/dbraw/zinc/41/01/49/386410149.db2.gz OQEPBXMYGSNWHO-NSHDSACASA-N 0 1 237.347 2.643 20 0 BFADMN CCN(CCC(=O)C(C)C)Cc1ccccn1 ZINC000290295732 386414852 /nfs/dbraw/zinc/41/48/52/386414852.db2.gz NDYSSMXFLDCERR-UHFFFAOYSA-N 0 1 234.343 2.519 20 0 BFADMN C[C@H](NCCc1ccccc1F)c1ccon1 ZINC000347467324 386415734 /nfs/dbraw/zinc/41/57/34/386415734.db2.gz LZUOQZZXETYXAA-JTQLQIEISA-N 0 1 234.274 2.707 20 0 BFADMN c1ccc(CN(C[C@@H]2CCC=CO2)C2CC2)nc1 ZINC000290290705 386417339 /nfs/dbraw/zinc/41/73/39/386417339.db2.gz ALBDBXNAYWJXDZ-HNNXBMFYSA-N 0 1 244.338 2.739 20 0 BFADMN C[C@@H](N[C@H]1CSC1(C)C)c1nccs1 ZINC000283478695 386434790 /nfs/dbraw/zinc/43/47/90/386434790.db2.gz WYLWLANWIABSLU-SFYZADRCSA-N 0 1 228.386 2.688 20 0 BFADMN CC(C)[C@H]1CCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000336730267 386468864 /nfs/dbraw/zinc/46/88/64/386468864.db2.gz PYPDDMYSYCXOPQ-JQWIXIFHSA-N 0 1 249.358 2.986 20 0 BFADMN CCc1cccc(NC(=O)CN2CC[C@H](C)C2)c1 ZINC000299628886 386474414 /nfs/dbraw/zinc/47/44/14/386474414.db2.gz KUFZUOJEFNDQGR-LBPRGKRZSA-N 0 1 246.354 2.529 20 0 BFADMN CC[C@H]1CCCN1Cc1nc(C)c(C)o1 ZINC000335425711 386476322 /nfs/dbraw/zinc/47/63/22/386476322.db2.gz SPHYLPSURTZZME-NSHDSACASA-N 0 1 208.305 2.666 20 0 BFADMN CCc1ccc(CCN2CCO[C@H](C)C2)cc1 ZINC000339586496 386480166 /nfs/dbraw/zinc/48/01/66/386480166.db2.gz MKKIMRYYTZNFBK-CYBMUJFWSA-N 0 1 233.355 2.512 20 0 BFADMN C[C@H](c1ccco1)[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000519537572 386480174 /nfs/dbraw/zinc/48/01/74/386480174.db2.gz CXRDRDYIEQHXLJ-SNVBAGLBSA-N 0 1 249.310 2.670 20 0 BFADMN CN(C)c1ccccc1CN[C@@H]1CCC[C@@H]1F ZINC000339586362 386487705 /nfs/dbraw/zinc/48/77/05/386487705.db2.gz JGHMDOHOHJDCNF-QWHCGFSZSA-N 0 1 236.334 2.733 20 0 BFADMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cc(F)ccc1F ZINC000417353684 386490912 /nfs/dbraw/zinc/49/09/12/386490912.db2.gz JLNHSEXJRSJBQZ-JQEORGNBSA-N 0 1 241.281 2.529 20 0 BFADMN CCC[C@@](C)(O)CN[C@@H](C)c1csc(C)n1 ZINC000227590475 386495708 /nfs/dbraw/zinc/49/57/08/386495708.db2.gz XYXWMLWKAALOKY-JOYOIKCWSA-N 0 1 242.388 2.653 20 0 BFADMN CCn1ccnc1CN[C@@H]1C[C@]1(CC)C(C)C ZINC000519583154 386500629 /nfs/dbraw/zinc/50/06/29/386500629.db2.gz KBVSTABCLDTZOK-TZMCWYRMSA-N 0 1 235.375 2.817 20 0 BFADMN Clc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000335443270 386504356 /nfs/dbraw/zinc/50/43/56/386504356.db2.gz MOCAEDSNCDUKHR-KOLCDFICSA-N 0 1 241.718 2.544 20 0 BFADMN CC[C@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267190690 386507577 /nfs/dbraw/zinc/50/75/77/386507577.db2.gz MFXPBLJZICAKFC-QWHCGFSZSA-N 0 1 239.746 2.858 20 0 BFADMN Cc1occc1CN1CC2(C1)CCCC2 ZINC000414447288 386512281 /nfs/dbraw/zinc/51/22/81/386512281.db2.gz WOTRPDSCKFEMOK-UHFFFAOYSA-N 0 1 205.301 2.964 20 0 BFADMN Cc1ccnc(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000339665520 386512908 /nfs/dbraw/zinc/51/29/08/386512908.db2.gz MSQZUGPPJXAQHR-ZDUSSCGKSA-N 0 1 233.359 2.653 20 0 BFADMN C[C@H]1CN(Cc2ccsc2)CC2(CCC2)O1 ZINC000335450398 386522603 /nfs/dbraw/zinc/52/26/03/386522603.db2.gz WTKCTPZBGOCRKA-NSHDSACASA-N 0 1 237.368 2.892 20 0 BFADMN Cc1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000284370633 386458137 /nfs/dbraw/zinc/45/81/37/386458137.db2.gz OFHQRIQHERMERS-SNVBAGLBSA-N 0 1 210.346 2.730 20 0 BFADMN Fc1ccc(CNc2cc3c(cn2)CCC3)cc1 ZINC000339555636 386462873 /nfs/dbraw/zinc/46/28/73/386462873.db2.gz IVEYSSCVTFLZPR-UHFFFAOYSA-N 0 1 242.297 2.743 20 0 BFADMN CC[C@@H]1CCCCN1Cc1cn(C(C)C)nn1 ZINC000347657664 386462981 /nfs/dbraw/zinc/46/29/81/386462981.db2.gz VTYLELONHNVRDN-CYBMUJFWSA-N 0 1 236.363 2.624 20 0 BFADMN CC(C)Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000094904671 386463417 /nfs/dbraw/zinc/46/34/17/386463417.db2.gz WIBDTSWSCGAGCE-LBPRGKRZSA-N 0 1 249.354 2.790 20 0 BFADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CCC1 ZINC000061479374 386464646 /nfs/dbraw/zinc/46/46/46/386464646.db2.gz MEEZBALMOFRQJP-UHFFFAOYSA-N 0 1 233.311 2.617 20 0 BFADMN CC(C)c1nc(CSc2ccncc2)n[nH]1 ZINC000291753341 386579636 /nfs/dbraw/zinc/57/96/36/386579636.db2.gz UDZKYJCVRXTKRF-UHFFFAOYSA-N 0 1 234.328 2.615 20 0 BFADMN Cc1nc(CSCCCc2ccccc2)n[nH]1 ZINC000291787027 386582548 /nfs/dbraw/zinc/58/25/48/386582548.db2.gz WYWKEEYMXNDINO-UHFFFAOYSA-N 0 1 247.367 2.979 20 0 BFADMN Cc1cnccc1CN[C@H](C)c1cccc(O)c1 ZINC000228663399 386596777 /nfs/dbraw/zinc/59/67/77/386596777.db2.gz LBBGRYAGDSFROA-GFCCVEGCSA-N 0 1 242.322 2.946 20 0 BFADMN CO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000267608709 386560670 /nfs/dbraw/zinc/56/06/70/386560670.db2.gz AWQILMBLHPHOGK-LBPRGKRZSA-N 0 1 225.719 2.561 20 0 BFADMN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000335423490 386597917 /nfs/dbraw/zinc/59/79/17/386597917.db2.gz KTLOGPSHXGGPNW-GXTWGEPZSA-N 0 1 247.338 2.538 20 0 BFADMN CO[C@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000267684699 386572529 /nfs/dbraw/zinc/57/25/29/386572529.db2.gz QZZRDESVKNFNEO-ONGXEEELSA-N 0 1 241.281 2.747 20 0 BFADMN CC[C@]1(C(C)C)C[C@H]1N[C@H]1CCn2ccnc21 ZINC000453437033 386619645 /nfs/dbraw/zinc/61/96/45/386619645.db2.gz VEIMDSNRNQLXJD-OUCADQQQSA-N 0 1 233.359 2.742 20 0 BFADMN CCSCCN(C)Cc1occc1C ZINC000292162046 386629212 /nfs/dbraw/zinc/62/92/12/386629212.db2.gz KXINKDGEQYCXBP-UHFFFAOYSA-N 0 1 213.346 2.773 20 0 BFADMN Cc1ccnc(NC[C@]2(C)CCCC[C@@H]2O)c1 ZINC000268286089 386639768 /nfs/dbraw/zinc/63/97/68/386639768.db2.gz CHRJALQHSSSWSU-JSGCOSHPSA-N 0 1 234.343 2.743 20 0 BFADMN Cc1nc(CN(C)[C@H](C)c2ccc(C)cc2)n[nH]1 ZINC000292250429 386640068 /nfs/dbraw/zinc/64/00/68/386640068.db2.gz UOOFLEDVCRILCK-LLVKDONJSA-N 0 1 244.342 2.615 20 0 BFADMN Cc1nc(CN(C)[C@@H](C)c2ccc(C)cc2)n[nH]1 ZINC000292250433 386641478 /nfs/dbraw/zinc/64/14/78/386641478.db2.gz UOOFLEDVCRILCK-NSHDSACASA-N 0 1 244.342 2.615 20 0 BFADMN CC[C@H]1CCN1Cc1cnn(-c2ccccc2)c1 ZINC000292324961 386648989 /nfs/dbraw/zinc/64/89/89/386648989.db2.gz FRKHRGSGMOFDOC-AWEZNQCLSA-N 0 1 241.338 2.857 20 0 BFADMN Fc1ccc([C@H]2CCN(Cc3ccon3)C2)cc1 ZINC000268014191 386611078 /nfs/dbraw/zinc/61/10/78/386611078.db2.gz HRKZTOGECNPQPP-LBPRGKRZSA-N 0 1 246.285 2.803 20 0 BFADMN C1[C@@H]2C[C@@H](c3nc(C4CCCCC4)no3)N[C@H]12 ZINC000644924845 386615616 /nfs/dbraw/zinc/61/56/16/386615616.db2.gz NMFRSTDFJTVZDX-MXWKQRLJSA-N 0 1 233.315 2.540 20 0 BFADMN CC[C@]1(C)CCN(Cc2ncc(C)o2)C1 ZINC000335524856 386668189 /nfs/dbraw/zinc/66/81/89/386668189.db2.gz HFRVUHJZOIFBME-GFCCVEGCSA-N 0 1 208.305 2.605 20 0 BFADMN CC(C)(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293947392 386672940 /nfs/dbraw/zinc/67/29/40/386672940.db2.gz BNHMWQJGIVFKHF-UHFFFAOYSA-N 0 1 213.708 2.934 20 0 BFADMN CCn1ccnc1CN1CC[C@@H](C)C[C@H]1C ZINC000335527936 386673910 /nfs/dbraw/zinc/67/39/10/386673910.db2.gz MGJCBSABRWVULA-VXGBXAGGSA-N 0 1 221.348 2.523 20 0 BFADMN COc1cc(C)ccc1NCc1[nH]ncc1C ZINC000352832245 386677535 /nfs/dbraw/zinc/67/75/35/386677535.db2.gz FKAXLFILNQWDOW-UHFFFAOYSA-N 0 1 231.299 2.647 20 0 BFADMN CC[C@H]1CO[C@H](C)CN1Cc1cccc(OC)c1 ZINC000268672877 386677667 /nfs/dbraw/zinc/67/76/67/386677667.db2.gz KNSZLPQWLINYNK-OCCSQVGLSA-N 0 1 249.354 2.695 20 0 BFADMN Cc1nnc(CN(C)[C@H](C)C2CCC2)n1C1CC1 ZINC000357011562 386687767 /nfs/dbraw/zinc/68/77/67/386687767.db2.gz OUVMUHSUTXMXHD-SNVBAGLBSA-N 0 1 248.374 2.542 20 0 BFADMN CCC1CC[NH+]([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000279485521 386688294 /nfs/dbraw/zinc/68/82/94/386688294.db2.gz OHKCCIBEGODQGO-LLVKDONJSA-N 0 1 249.358 2.674 20 0 BFADMN CCC1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000279485521 386688301 /nfs/dbraw/zinc/68/83/01/386688301.db2.gz OHKCCIBEGODQGO-LLVKDONJSA-N 0 1 249.358 2.674 20 0 BFADMN CCCc1noc(CN(C)[C@@H](C)C2CCC2)n1 ZINC000357018714 386689498 /nfs/dbraw/zinc/68/94/98/386689498.db2.gz BEMXVOAXHPBLMI-JTQLQIEISA-N 0 1 237.347 2.643 20 0 BFADMN C[C@@H](NCc1ccc(N(C)C)nc1)c1ccco1 ZINC000268787708 386693442 /nfs/dbraw/zinc/69/34/42/386693442.db2.gz WITSDGJVRPAWFX-LLVKDONJSA-N 0 1 245.326 2.591 20 0 BFADMN CN(CCCC(C)(C)C)Cc1ccnn1C ZINC000337265303 386694564 /nfs/dbraw/zinc/69/45/64/386694564.db2.gz YHUIUWHCWRJAMJ-UHFFFAOYSA-N 0 1 223.364 2.678 20 0 BFADMN Cc1ncc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC000264593733 386700998 /nfs/dbraw/zinc/70/09/98/386700998.db2.gz BJNNDADMPYLAPP-YPMHNXCESA-N 0 1 247.342 2.513 20 0 BFADMN Cc1ccc([C@@H](O)CN[C@H](C)c2ccco2)o1 ZINC000268969044 386730501 /nfs/dbraw/zinc/73/05/01/386730501.db2.gz HULDZBRACMTWDD-MNOVXSKESA-N 0 1 235.283 2.565 20 0 BFADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC000269007083 386733563 /nfs/dbraw/zinc/73/35/63/386733563.db2.gz XVDJEQKDUKGANW-GWCFXTLKSA-N 0 1 249.358 2.759 20 0 BFADMN Cc1nc(CN(C)CC2CCCC2)co1 ZINC000647961537 386736845 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/nfs/dbraw/zinc/54/80/33/587548033.db2.gz RIQPRAQGDIUXRX-ONGXEEELSA-N 0 1 249.310 2.525 20 0 BFADMN CC(C)(C)SCCN1CC[C@H](F)C1 ZINC000830480785 587554090 /nfs/dbraw/zinc/55/40/90/587554090.db2.gz TYARVQJFNRSZKL-VIFPVBQESA-N 0 1 205.342 2.562 20 0 BFADMN Cl/C=C\CN1CCSC[C@@H]1C1CC1 ZINC000831772883 587631550 /nfs/dbraw/zinc/63/15/50/587631550.db2.gz CNAYDHNZTVXSKR-GAGJOLBNSA-N 0 1 217.765 2.566 20 0 BFADMN c1cnc(CN2CCCCCCCC2)nc1 ZINC000831937363 587637466 /nfs/dbraw/zinc/63/74/66/587637466.db2.gz QASXWDVJBQPUGV-UHFFFAOYSA-N 0 1 219.332 2.633 20 0 BFADMN C[C@H]1CCC(C)(C)N1Cc1cnc(Cl)cn1 ZINC000832565309 587666923 /nfs/dbraw/zinc/66/69/23/587666923.db2.gz SIWUYSKFJXITGQ-VIFPVBQESA-N 0 1 239.750 2.893 20 0 BFADMN C/C(=C\C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1)C(=O)[O-] ZINC000833385660 587712585 /nfs/dbraw/zinc/71/25/85/587712585.db2.gz WTBAUIIAPVTZLR-DXQGZJKXSA-N 0 1 237.343 2.529 20 0 BFADMN C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000833386428 587713142 /nfs/dbraw/zinc/71/31/42/587713142.db2.gz QAUOOJVEACHXOJ-WONIAPNHSA-N 0 1 245.322 2.639 20 0 BFADMN C/C(=C/c1ccccc1)C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000833386415 587713152 /nfs/dbraw/zinc/71/31/52/587713152.db2.gz PQQCKFZZJRFVNT-BENRWUELSA-N 0 1 247.338 2.885 20 0 BFADMN CCC[N@@H+](C)Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000833853764 587736003 /nfs/dbraw/zinc/73/60/03/587736003.db2.gz OQIBJJBBOUXWTQ-UHFFFAOYSA-N 0 1 248.326 2.569 20 0 BFADMN Cc1n[nH]c(C(=O)NCCC[C@H]2C=CCC2)c1C ZINC000834334732 587752475 /nfs/dbraw/zinc/75/24/75/587752475.db2.gz PNZJJBLPMPMOGF-LBPRGKRZSA-N 0 1 247.342 2.503 20 0 BFADMN Clc1ccc(CNc2nccn2C2CC2)cn1 ZINC000840887797 587928276 /nfs/dbraw/zinc/92/82/76/587928276.db2.gz UZLXVSOIRFJKLE-UHFFFAOYSA-N 0 1 248.717 2.879 20 0 BFADMN COc1ccsc1CNc1nccn1C1CC1 ZINC000840887376 587928372 /nfs/dbraw/zinc/92/83/72/587928372.db2.gz LWMGPJZXEJLQBN-UHFFFAOYSA-N 0 1 249.339 2.900 20 0 BFADMN COc1ccc(CNc2nccn2C2CC2)cc1 ZINC000840891326 587928756 /nfs/dbraw/zinc/92/87/56/587928756.db2.gz XYIRUIFXXCGSCP-UHFFFAOYSA-N 0 1 243.310 2.839 20 0 BFADMN C[C@H](c1ccccc1)[C@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996101 587933842 /nfs/dbraw/zinc/93/38/42/587933842.db2.gz MWKKIHYKRUCYLN-SGMGOOAPSA-N 0 1 247.338 2.728 20 0 BFADMN c1cc(CN2CCC(OC3CCC3)CC2)co1 ZINC000841888502 587981214 /nfs/dbraw/zinc/98/12/14/587981214.db2.gz JOZOJJBNRXCILV-UHFFFAOYSA-N 0 1 235.327 2.813 20 0 BFADMN CC[C@H](CN1CCC[C@@H]1c1cc(C)on1)OC ZINC000842146870 588003145 /nfs/dbraw/zinc/00/31/45/588003145.db2.gz CWYMPYQYPHVFMQ-DGCLKSJQSA-N 0 1 238.331 2.545 20 0 BFADMN CC[C@@H](CN1CCC[C@H]1c1cc(C)on1)OC ZINC000842146869 588003451 /nfs/dbraw/zinc/00/34/51/588003451.db2.gz CWYMPYQYPHVFMQ-AAEUAGOBSA-N 0 1 238.331 2.545 20 0 BFADMN CC[C@@H](CN(C)Cc1ccc(Cl)nc1)OC ZINC000842152928 588004330 /nfs/dbraw/zinc/00/43/30/588004330.db2.gz NBZFYTCFIOFSQA-NSHDSACASA-N 0 1 242.750 2.592 20 0 BFADMN CN(CCC(C)(C)C)CN1C(=O)CCC1(C)C ZINC000842631275 588046818 /nfs/dbraw/zinc/04/68/18/588046818.db2.gz MAASMVXEWONYIF-UHFFFAOYSA-N 0 1 240.391 2.713 20 0 BFADMN Cc1ccc([C@@H](C)c2nc([C@H]3CCCN3)no2)o1 ZINC000842638593 588047832 /nfs/dbraw/zinc/04/78/32/588047832.db2.gz MKOXICRBOMILBP-NXEZZACHSA-N 0 1 247.298 2.547 20 0 BFADMN Cc1cc(CNCc2ccc(CO)cc2)c(C)o1 ZINC000842731743 588056715 /nfs/dbraw/zinc/05/67/15/588056715.db2.gz AJXGNFCZTMNRAB-UHFFFAOYSA-N 0 1 245.322 2.679 20 0 BFADMN C/C=C(\C)COC(=O)[C@H](CC)N(CC)CC ZINC000842844754 588068263 /nfs/dbraw/zinc/06/82/63/588068263.db2.gz XYDIVSDPBGBJJJ-BCMYLCSRSA-N 0 1 227.348 2.616 20 0 BFADMN CCCCO[C@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843148641 588086619 /nfs/dbraw/zinc/08/66/19/588086619.db2.gz BULYNNYGJJSKHA-NXEZZACHSA-N 0 1 241.335 2.603 20 0 BFADMN C/C(=C/c1nc([C@H](N)C(C)C)no1)C1CC1 ZINC000843150835 588087548 /nfs/dbraw/zinc/08/75/48/588087548.db2.gz VUBSNSUKXZCFEH-BPOWMSRESA-N 0 1 221.304 2.539 20 0 BFADMN CC(C)[C@H](N)c1noc(C[C@@H]2CC[C@@H](C)C2)n1 ZINC000843149448 588087840 /nfs/dbraw/zinc/08/78/40/588087840.db2.gz NPKFYVPTSXAFPP-FOGDFJRCSA-N 0 1 237.347 2.704 20 0 BFADMN CCCN[C@@H](C)c1nc([C@H](C)C2CC2)no1 ZINC000843196273 588093023 /nfs/dbraw/zinc/09/30/23/588093023.db2.gz XUFGENAITLUURI-BDAKNGLRSA-N 0 1 223.320 2.644 20 0 BFADMN Cc1nnc([C@H](C)NC[C@H]2CC3CCC2CC3)o1 ZINC000843287492 588097561 /nfs/dbraw/zinc/09/75/61/588097561.db2.gz IGHIANOTGRGKTF-ZHYKRGJUSA-N 0 1 249.358 2.855 20 0 BFADMN Cc1noc([C@H](C)NC[C@@H]2CC3CCC2CC3)n1 ZINC000843289077 588097966 /nfs/dbraw/zinc/09/79/66/588097966.db2.gz ZAZCJGVPBAPYPB-ZIUBGBMXSA-N 0 1 249.358 2.855 20 0 BFADMN CCCONC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000844084379 588163377 /nfs/dbraw/zinc/16/33/77/588163377.db2.gz NJFKJRVNCVQHSK-HNNXBMFYSA-N 0 1 247.338 2.738 20 0 BFADMN O=C(/C=C/C1CCCCCC1)Nc1cn[nH]c1 ZINC000845195376 588223287 /nfs/dbraw/zinc/22/32/87/588223287.db2.gz WRWAOQKGEFUSCD-BQYQJAHWSA-N 0 1 233.315 2.875 20 0 BFADMN CCc1cc(CNCc2cccc(CC)c2)[nH]n1 ZINC000845937168 588250654 /nfs/dbraw/zinc/25/06/54/588250654.db2.gz PEMQHBFNJQXSAX-UHFFFAOYSA-N 0 1 243.354 2.824 20 0 BFADMN CCCC[C@@H]1CCC[C@H]1NCc1cnsn1 ZINC000846854386 588293468 /nfs/dbraw/zinc/29/34/68/588293468.db2.gz RJMFGQDFOZINCD-ZYHUDNBSSA-N 0 1 239.388 2.987 20 0 BFADMN CCC[C@H]1CCCC[C@@H]1NCc1cnsn1 ZINC000846856784 588293775 /nfs/dbraw/zinc/29/37/75/588293775.db2.gz HEMRWHPELPLBJX-JQWIXIFHSA-N 0 1 239.388 2.987 20 0 BFADMN CC/C=C(\C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013914 588347115 /nfs/dbraw/zinc/34/71/15/588347115.db2.gz AAUAECCHNDNFLV-RUDMXATFSA-N 0 1 234.299 2.687 20 0 BFADMN C[C@@H](CC(=O)OCc1cc(C2CC2)[nH]n1)C1CC1 ZINC000848014055 588347216 /nfs/dbraw/zinc/34/72/16/588347216.db2.gz GDKBORHWRANCET-VIFPVBQESA-N 0 1 248.326 2.767 20 0 BFADMN C[C@@H]1CC[C@H](C(=O)OCc2cc(C3CC3)[nH]n2)C1 ZINC000848012930 588347309 /nfs/dbraw/zinc/34/73/09/588347309.db2.gz YKECYINJIARUPF-KOLCDFICSA-N 0 1 248.326 2.767 20 0 BFADMN O=C(OCc1cc(C2CC2)[nH]n1)C1=CCCCC1 ZINC000848011019 588347319 /nfs/dbraw/zinc/34/73/19/588347319.db2.gz ATRDYGJJKSADHZ-UHFFFAOYSA-N 0 1 246.310 2.831 20 0 BFADMN CC(C)(C)/C=C\C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013189 588347347 /nfs/dbraw/zinc/34/73/47/588347347.db2.gz LGVQHZZURZUQSA-SREVYHEPSA-N 0 1 248.326 2.933 20 0 BFADMN CC/C(C)=C\C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010637 588347412 /nfs/dbraw/zinc/34/74/12/588347412.db2.gz PJOZHRTXEJOAEH-TWGQIWQCSA-N 0 1 234.299 2.687 20 0 BFADMN CC[C@@H](C)CC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010906 588347477 /nfs/dbraw/zinc/34/74/77/588347477.db2.gz AZJNQVFNFJOZOA-SECBINFHSA-N 0 1 236.315 2.767 20 0 BFADMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccccc1 ZINC000848016009 588347843 /nfs/dbraw/zinc/34/78/43/588347843.db2.gz KWRSXSJSOUZXMS-UHFFFAOYSA-N 0 1 242.278 2.644 20 0 BFADMN C[C@H]1CCCCCN1Cc1cnc(Cl)n1C ZINC000848887249 588417211 /nfs/dbraw/zinc/41/72/11/588417211.db2.gz RHFGCXJUTWJUSY-JTQLQIEISA-N 0 1 241.766 2.838 20 0 BFADMN COC(=O)/C=C/c1ccc(CNCC=C(C)C)o1 ZINC000848905020 588418756 /nfs/dbraw/zinc/41/87/56/588418756.db2.gz DOFUVGNTCBJUDM-VOTSOKGWSA-N 0 1 249.310 2.522 20 0 BFADMN CC[N@@H+](CCC1CC1)Cc1cnc(Cl)n1C ZINC000848902298 588418890 /nfs/dbraw/zinc/41/88/90/588418890.db2.gz CEGYKMUPLQOJQM-UHFFFAOYSA-N 0 1 241.766 2.696 20 0 BFADMN c1ccc2c(CNC[C@@H]3CCC=CO3)noc2c1 ZINC000848930684 588421705 /nfs/dbraw/zinc/42/17/05/588421705.db2.gz VHWMAIXFMARTNJ-NSHDSACASA-N 0 1 244.294 2.610 20 0 BFADMN FCc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000849229833 588464058 /nfs/dbraw/zinc/46/40/58/588464058.db2.gz MBFGURLCCXABLE-LLVKDONJSA-N 0 1 247.273 2.631 20 0 BFADMN CC(C)[C@@H](C)OC(=O)[C@H](C(C)C)N1CCCC1 ZINC000849733719 588491348 /nfs/dbraw/zinc/49/13/48/588491348.db2.gz VNGOMHSRTVBQHS-OLZOCXBDSA-N 0 1 241.375 2.695 20 0 BFADMN Cc1csc(CNC[C@@H]2C(C)(C)C2(F)F)n1 ZINC000850394070 588543938 /nfs/dbraw/zinc/54/39/38/588543938.db2.gz JTIGWQHVKLQGGT-MRVPVSSYSA-N 0 1 246.326 2.832 20 0 BFADMN CC1(C)CC[C@@H]1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000851119992 588592493 /nfs/dbraw/zinc/59/24/93/588592493.db2.gz YRYBBOTZNJIEDI-LLVKDONJSA-N 0 1 248.326 2.767 20 0 BFADMN CCCCCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000851708483 588615252 /nfs/dbraw/zinc/61/52/52/588615252.db2.gz VZPQYLUXHDNOHQ-LLVKDONJSA-N 0 1 227.348 2.894 20 0 BFADMN CC[C@@H]1CCC[C@H](C)[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000851709718 588615481 /nfs/dbraw/zinc/61/54/81/588615481.db2.gz WWXKUVSXOPODJD-ALQBXHKQSA-N 0 1 225.332 2.670 20 0 BFADMN CCc1nnc([C@@H](C)N2CCCCCCC2)[nH]1 ZINC000851715117 588615565 /nfs/dbraw/zinc/61/55/65/588615565.db2.gz XJPPKWPZRCMRLR-LLVKDONJSA-N 0 1 236.363 2.694 20 0 BFADMN ClC(Cl)=CCN1C2CCC1CC2 ZINC000851724829 588617656 /nfs/dbraw/zinc/61/76/56/588617656.db2.gz JFSDHRGITVUGJY-UHFFFAOYSA-N 0 1 206.116 2.932 20 0 BFADMN CCC1CCN(Cc2cccc(F)n2)CC1 ZINC000851731711 588619250 /nfs/dbraw/zinc/61/92/50/588619250.db2.gz XKRQTZKQYQUOFC-UHFFFAOYSA-N 0 1 222.307 2.843 20 0 BFADMN CN(Cc1cnon1)C1CCCCCCC1 ZINC000851741166 588621433 /nfs/dbraw/zinc/62/14/33/588621433.db2.gz GBTCQSHQLNZPCG-UHFFFAOYSA-N 0 1 223.320 2.614 20 0 BFADMN Cc1cccc2c1CCN(CCOC(F)F)C2 ZINC000851752814 588623625 /nfs/dbraw/zinc/62/36/25/588623625.db2.gz NCHZSLFKLVMDDT-UHFFFAOYSA-N 0 1 241.281 2.592 20 0 BFADMN CCC[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000851807375 588631612 /nfs/dbraw/zinc/63/16/12/588631612.db2.gz DENBIFRRMLMDTQ-JTQLQIEISA-N 0 1 221.291 2.738 20 0 BFADMN C[C@@H](c1ccco1)N(C[C@H]1CCC(=O)O1)C1CC1 ZINC000851853541 588635286 /nfs/dbraw/zinc/63/52/86/588635286.db2.gz JIPRPYINIUJUIG-CMPLNLGQSA-N 0 1 249.310 2.511 20 0 BFADMN C[C@@H](NCc1cnon1)C(C)(C)c1ccccc1 ZINC000851899528 588641887 /nfs/dbraw/zinc/64/18/87/588641887.db2.gz ZDQGJATULKOEIR-LLVKDONJSA-N 0 1 245.326 2.526 20 0 BFADMN Fc1cccc(CN2CCCC3(CC3)C2)n1 ZINC000851945717 588646635 /nfs/dbraw/zinc/64/66/35/588646635.db2.gz CIOGUQZCPXHHJI-UHFFFAOYSA-N 0 1 220.291 2.597 20 0 BFADMN CO[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1C ZINC000852136559 588666184 /nfs/dbraw/zinc/66/61/84/588666184.db2.gz ZELKEHGNGWFYMH-BDAKNGLRSA-N 0 1 238.158 2.662 20 0 BFADMN Fc1ccc(CN2C[C@@H]3CCCC[C@@H]32)nc1 ZINC000852220022 588674175 /nfs/dbraw/zinc/67/41/75/588674175.db2.gz UWRGVVDATYEJMJ-GWCFXTLKSA-N 0 1 220.291 2.595 20 0 BFADMN CC[C@@H](C)N(CC)Cc1ncc(Cl)n1C ZINC000852292679 588676960 /nfs/dbraw/zinc/67/69/60/588676960.db2.gz GLMMZOJYNLVBFE-SECBINFHSA-N 0 1 229.755 2.694 20 0 BFADMN COCC[N@@H+](CCF)C[C@@H](C)CC(C)C ZINC000852479678 588683274 /nfs/dbraw/zinc/68/32/74/588683274.db2.gz JDSNNUADWSKEBQ-LBPRGKRZSA-N 0 1 219.344 2.587 20 0 BFADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000852711985 588696927 /nfs/dbraw/zinc/69/69/27/588696927.db2.gz JXDJLLXRSSWHSR-NWDGAFQWSA-N 0 1 249.358 2.644 20 0 BFADMN CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000852711985 588696928 /nfs/dbraw/zinc/69/69/28/588696928.db2.gz JXDJLLXRSSWHSR-NWDGAFQWSA-N 0 1 249.358 2.644 20 0 BFADMN CCCCC[C@@H]1CCCC[N@H+]1CC[S@@](C)=O ZINC000852712494 588697147 /nfs/dbraw/zinc/69/71/47/588697147.db2.gz QLDWTRMZNVQGEW-CZUORRHYSA-N 0 1 245.432 2.800 20 0 BFADMN Cc1ccnc(CN(CCC2CC2)CC2CC2)n1 ZINC000852718316 588698175 /nfs/dbraw/zinc/69/81/75/588698175.db2.gz XTTQPIFGWNVJIL-UHFFFAOYSA-N 0 1 245.370 2.797 20 0 BFADMN CCCCCC[C@@H](CC)C[N@@H+](C)CC(=O)[O-] ZINC000852739636 588698517 /nfs/dbraw/zinc/69/85/17/588698517.db2.gz CSVSNGPMLKHKKO-GFCCVEGCSA-N 0 1 229.364 2.999 20 0 BFADMN CCCc1ccc(C(=O)OCCN2CCC2)cc1 ZINC000861386710 589162467 /nfs/dbraw/zinc/16/24/67/589162467.db2.gz LNGDYEKBSAZWET-UHFFFAOYSA-N 0 1 247.338 2.502 20 0 BFADMN C[C@@H](CC(=O)OCCN1CCC1)CC(C)(C)C ZINC000861386382 589162619 /nfs/dbraw/zinc/16/26/19/589162619.db2.gz WRPLIGMAZBIZHF-LBPRGKRZSA-N 0 1 241.375 2.698 20 0 BFADMN Cc1c(F)nccc1CNCc1ccsc1 ZINC000862261390 589197710 /nfs/dbraw/zinc/19/77/10/589197710.db2.gz AYNMYEJFZSHORT-UHFFFAOYSA-N 0 1 236.315 2.880 20 0 BFADMN Cc1nonc1CNC[C@@H](C)c1ccc(C)cc1 ZINC000862367524 589205005 /nfs/dbraw/zinc/20/50/05/589205005.db2.gz LTSYHHRXILNCLS-LLVKDONJSA-N 0 1 245.326 2.580 20 0 BFADMN Fc1cc(CN2CC(C3CCCC3)C2)ccn1 ZINC000862389017 589207346 /nfs/dbraw/zinc/20/73/46/589207346.db2.gz DAMIRJKTJGFLNW-UHFFFAOYSA-N 0 1 234.318 2.843 20 0 BFADMN CCCOCSc1nc(-c2ccccc2)n[nH]1 ZINC000863253667 589274629 /nfs/dbraw/zinc/27/46/29/589274629.db2.gz OHKAIBZLQHIWOL-UHFFFAOYSA-N 0 1 249.339 2.948 20 0 BFADMN C[C@@H](NCc1ccc(Cl)nc1)c1cccnc1 ZINC000119502646 589295357 /nfs/dbraw/zinc/29/53/57/589295357.db2.gz KUXPRRVJLZEVAC-SNVBAGLBSA-N 0 1 247.729 2.981 20 0 BFADMN CC(C)[C@H](N)c1noc(C[C@H](C)c2ccco2)n1 ZINC000863655929 589308006 /nfs/dbraw/zinc/30/80/06/589308006.db2.gz HSHAMQXXEBKABY-CABZTGNLSA-N 0 1 249.314 2.665 20 0 BFADMN CC(C)[C@@H](N)c1noc(C[C@H](C)c2ccco2)n1 ZINC000863655931 589308231 /nfs/dbraw/zinc/30/82/31/589308231.db2.gz HSHAMQXXEBKABY-JOYOIKCWSA-N 0 1 249.314 2.665 20 0 BFADMN CCN[C@H](C)c1nc(-c2cc(C)oc2C)no1 ZINC000863672417 589309391 /nfs/dbraw/zinc/30/93/91/589309391.db2.gz HITQSYYFHKEMKT-MRVPVSSYSA-N 0 1 235.287 2.617 20 0 BFADMN Cc1ccc(CNC[C@@H](O)c2ccco2)c(F)c1 ZINC000865409448 589433806 /nfs/dbraw/zinc/43/38/06/589433806.db2.gz XQMYSXZLDLROLN-CYBMUJFWSA-N 0 1 249.285 2.550 20 0 BFADMN Cc1c(Cl)cccc1CNCc1ccnn1C ZINC000865412175 589433987 /nfs/dbraw/zinc/43/39/87/589433987.db2.gz LJWOXVVLLDPOIB-UHFFFAOYSA-N 0 1 249.745 2.672 20 0 BFADMN C/C=C/CNCc1cccnc1Br ZINC000865643528 589453972 /nfs/dbraw/zinc/45/39/72/589453972.db2.gz ZSFPAMMNIIHPRR-NSCUHMNNSA-N 0 1 241.132 2.510 20 0 BFADMN CC(C)n1nccc1CN[C@@H]1CCCC[C@@H]1F ZINC000865696761 589456963 /nfs/dbraw/zinc/45/69/63/589456963.db2.gz JJWUAOILZDYLID-QWHCGFSZSA-N 0 1 239.338 2.834 20 0 BFADMN COCc1ccc(CN[C@@H]2CCCC[C@@H]2F)o1 ZINC000865699346 589457080 /nfs/dbraw/zinc/45/70/80/589457080.db2.gz QCPFRGZDTUFIHG-QWHCGFSZSA-N 0 1 241.306 2.796 20 0 BFADMN FC(F)(F)c1cnccc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000865734137 589459157 /nfs/dbraw/zinc/45/91/57/589459157.db2.gz KFLPZEVEZYYDKA-AKZRSSKFSA-N 0 1 242.244 2.733 20 0 BFADMN F[C@@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC000865843232 589464752 /nfs/dbraw/zinc/46/47/52/589464752.db2.gz LNPVWXDRPUNQJZ-SSDOTTSWSA-N 0 1 234.196 2.649 20 0 BFADMN Cc1ccnc(NC[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000866182328 589479229 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BFADMN CC/C=C/CC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169342 589887186 /nfs/dbraw/zinc/88/71/86/589887186.db2.gz MKWCRPUJEVWMJB-ISDWUYEVSA-N 0 1 237.343 2.672 20 0 BFADMN CCC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872524454 589947033 /nfs/dbraw/zinc/94/70/33/589947033.db2.gz BVADZNOOBOLOGR-NSHDSACASA-N 0 1 249.358 2.649 20 0 BFADMN CN(Cn1ccc(-c2cccc(F)c2)n1)C1CC1 ZINC000872561882 589951188 /nfs/dbraw/zinc/95/11/88/589951188.db2.gz HNBWYYGJNBBQII-UHFFFAOYSA-N 0 1 245.301 2.741 20 0 BFADMN CCOc1cccc(F)c1CNCCSC ZINC000873007440 589979428 /nfs/dbraw/zinc/97/94/28/589979428.db2.gz QEMRTQBHNZCDIX-UHFFFAOYSA-N 0 1 243.347 2.677 20 0 BFADMN CC(C)(CNCc1ccon1)Oc1ccccc1 ZINC000873049344 589981372 /nfs/dbraw/zinc/98/13/72/589981372.db2.gz ABAYGCVLUGHLDJ-UHFFFAOYSA-N 0 1 246.310 2.622 20 0 BFADMN COC[C@@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000019904975 590041172 /nfs/dbraw/zinc/04/11/72/590041172.db2.gz VOZIYWJVBBHZJU-DOMZBBRYSA-N 0 1 245.322 2.994 20 0 BFADMN 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BFADMN CCc1cccc(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000249276432 388714742 /nfs/dbraw/zinc/71/47/42/388714742.db2.gz JZVUIEHUOFYRHF-OLZOCXBDSA-N 0 1 233.355 2.858 20 0 BFADMN CCc1ccccc1CN1CCO[C@H](C)[C@H]1C ZINC000249410978 388720933 /nfs/dbraw/zinc/72/09/33/388720933.db2.gz XZJVNFULYAYTNN-CHWSQXEVSA-N 0 1 233.355 2.858 20 0 BFADMN CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)C(C)C ZINC000194096014 388722626 /nfs/dbraw/zinc/72/26/26/388722626.db2.gz QQYBOADFCTVIIG-UHFFFAOYSA-N 0 1 248.370 2.972 20 0 BFADMN CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)C(C)C ZINC000194088806 388723374 /nfs/dbraw/zinc/72/33/74/388723374.db2.gz MUTXOSYICSDVFF-ZDUSSCGKSA-N 0 1 240.391 2.508 20 0 BFADMN CCc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)n[nH]1 ZINC000127813481 388731797 /nfs/dbraw/zinc/73/17/97/388731797.db2.gz KQALERMSFCLYTQ-SNVBAGLBSA-N 0 1 249.358 2.621 20 0 BFADMN CCC[C@@H](CCO)CN[C@@H](C)c1cscn1 ZINC000127883454 388733205 /nfs/dbraw/zinc/73/32/05/388733205.db2.gz OCWUFBHDRSMKJH-QWRGUYRKSA-N 0 1 242.388 2.592 20 0 BFADMN 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CC1=CC[N@H+]([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000565486302 388948296 /nfs/dbraw/zinc/94/82/96/388948296.db2.gz IGOKKNADOBTODH-NSHDSACASA-N 0 1 237.324 2.526 20 0 BFADMN CSCCN(C)Cc1c(C)nsc1C ZINC000565606263 388956679 /nfs/dbraw/zinc/95/66/79/388956679.db2.gz ALJNVCLKGUYDQA-UHFFFAOYSA-N 0 1 230.402 2.555 20 0 BFADMN CSCC[N@@H+](C)Cc1c(C)nsc1C ZINC000565606263 388956676 /nfs/dbraw/zinc/95/66/76/388956676.db2.gz ALJNVCLKGUYDQA-UHFFFAOYSA-N 0 1 230.402 2.555 20 0 BFADMN Cc1ccc(SCCc2c[nH]nn2)cc1C ZINC000566047526 388984725 /nfs/dbraw/zinc/98/47/25/388984725.db2.gz QMLHZYZGYUCXFF-UHFFFAOYSA-N 0 1 233.340 2.756 20 0 BFADMN CO[C@H](CNCc1c(F)cccc1F)C(C)C ZINC000266619794 388996707 /nfs/dbraw/zinc/99/67/07/388996707.db2.gz LABXZNJOPDVQKW-CYBMUJFWSA-N 0 1 243.297 2.725 20 0 BFADMN C[C@H](NCCC(C)(C)O)c1c(F)cccc1F ZINC000271750399 389024268 /nfs/dbraw/zinc/02/42/68/389024268.db2.gz KNDFVBXUYJWKRZ-VIFPVBQESA-N 0 1 243.297 2.776 20 0 BFADMN CC(C)c1nc([C@H](C)N[C@H](C)CCO)cs1 ZINC000272607993 389033777 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ACWKJRSQIDGQJE-UHFFFAOYSA-N 0 1 248.355 2.756 20 0 BFADMN Cc1[nH]nc(CN[C@@H](C(C)C)C(F)(F)F)c1C ZINC000886086794 592145200 /nfs/dbraw/zinc/14/52/00/592145200.db2.gz MMUWIALULIJWFT-JTQLQIEISA-N 0 1 249.280 2.703 20 0 BFADMN Cc1[nH]nc(CNc2cccc3c2OCC3)c1C ZINC000886168016 592168025 /nfs/dbraw/zinc/16/80/25/592168025.db2.gz GWHXSECWXKGDCF-UHFFFAOYSA-N 0 1 243.310 2.574 20 0 BFADMN Cc1coc(CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000886174632 592169832 /nfs/dbraw/zinc/16/98/32/592169832.db2.gz FOXMWYNNFZNFCD-NWDGAFQWSA-N 0 1 211.280 2.958 20 0 BFADMN C[C@]1(F)CCCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886220702 592179924 /nfs/dbraw/zinc/17/99/24/592179924.db2.gz LTGVEPANKCKHTE-RDBSUJKOSA-N 0 1 241.350 2.768 20 0 BFADMN C[C@@H](NC1CCC(F)(F)CC1)c1ncco1 ZINC000886272319 592192636 /nfs/dbraw/zinc/19/26/36/592192636.db2.gz NBDLZUGYRIMOEC-MRVPVSSYSA-N 0 1 230.258 2.903 20 0 BFADMN CCC1(CN[C@@H](C)c2ncco2)CCOCC1 ZINC000886273592 592193737 /nfs/dbraw/zinc/19/37/37/592193737.db2.gz CHNKORNRPUNQAC-NSHDSACASA-N 0 1 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C[C@@H](C[N@H+]1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000227825429 601936716 /nfs/dbraw/zinc/93/67/16/601936716.db2.gz KCRVVFXBTXUEPX-WFASDCNBSA-N 0 1 247.338 2.587 20 0 BFADMN CC(C)CC[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000738817553 602262499 /nfs/dbraw/zinc/26/24/99/602262499.db2.gz BIDYIOVYGGACAK-VXGBXAGGSA-N 0 1 242.363 2.543 20 0 BFADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(C)c1C ZINC000086775682 604472404 /nfs/dbraw/zinc/47/24/04/604472404.db2.gz VNEMZIDOCRTUGP-UHFFFAOYSA-N 0 1 235.327 2.600 20 0 BFADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000036785885 604540511 /nfs/dbraw/zinc/54/05/11/604540511.db2.gz LDJDWRYELTUTTO-JTQLQIEISA-N 0 1 233.311 2.615 20 0 BFADMN C=C(Cl)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918813 604920093 /nfs/dbraw/zinc/92/00/93/604920093.db2.gz WFBFCZBACKLQTQ-UHFFFAOYSA-N 0 1 239.702 2.569 20 0 BFADMN C=C(Cl)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918813 604920099 /nfs/dbraw/zinc/92/00/99/604920099.db2.gz WFBFCZBACKLQTQ-UHFFFAOYSA-N 0 1 239.702 2.569 20 0 BFADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400166339 605055723 /nfs/dbraw/zinc/05/57/23/605055723.db2.gz LRRJGRLPHCOZEE-MWLCHTKSSA-N 0 1 249.310 2.771 20 0 BFADMN CC(C)(C)C1=CC[N@H+]([C@H](C(=O)[O-])C2CC2)CC1 ZINC000382483339 605131213 /nfs/dbraw/zinc/13/12/13/605131213.db2.gz RLEIJXGUQIQHOD-LBPRGKRZSA-N 0 1 237.343 2.528 20 0 BFADMN Cc1[nH+]c(N(C)[C@H](C)C(C)C)ccc1C(=O)[O-] ZINC000124178251 634396481 /nfs/dbraw/zinc/39/64/81/634396481.db2.gz ZFFALGNXWOWOOD-SNVBAGLBSA-N 0 1 236.315 2.569 20 0 BFADMN CCCCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299970794 634405171 /nfs/dbraw/zinc/40/51/71/634405171.db2.gz ABCKCEVTIOPZJW-XQQFMLRXSA-N 0 1 239.359 2.752 20 0 BFADMN CCC(CC)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299983519 634405459 /nfs/dbraw/zinc/40/54/59/634405459.db2.gz HGAZWSXMWNDZQF-YNEHKIRRSA-N 0 1 239.359 2.608 20 0 BFADMN Cc1[nH+]c(N2CCC[C@H](C)CC2)ccc1C(=O)[O-] ZINC000124276089 634406610 /nfs/dbraw/zinc/40/66/10/634406610.db2.gz 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/nfs/dbraw/zinc/11/25/36/991112536.db2.gz QCVGMZXQPVSFCO-SMDDNHRTSA-N 0 1 235.327 2.654 20 0 BFADMN Cc1noc([C@H](C)N[C@@H]2CC[C@@H]3CCC[C@H]23)n1 ZINC001308737980 991116096 /nfs/dbraw/zinc/11/60/96/991116096.db2.gz DHJDISNGKMMOGW-PDEGPIFNSA-N 0 1 235.331 2.607 20 0 BFADMN CC(C)COC(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC001559547070 991144712 /nfs/dbraw/zinc/14/47/12/991144712.db2.gz NJXLWCMNRHKZFC-STQMWFEESA-N 0 1 241.375 2.696 20 0 BFADMN CC[C@H](C)CN1CC([N@H+](C)Cc2ccccc2)C1 ZINC001308806918 991146699 /nfs/dbraw/zinc/14/66/99/991146699.db2.gz DFXBXKZBUHBXMH-AWEZNQCLSA-N 0 1 246.398 2.849 20 0 BFADMN COc1cc(O)ccc1C[N@H+]1CCC(C)(C)C1 ZINC001139140964 991164602 /nfs/dbraw/zinc/16/46/02/991164602.db2.gz VSAANQFOOIAZMU-UHFFFAOYSA-N 0 1 235.327 2.633 20 0 BFADMN O=C1SCC[C@@H]1NC1CCCCCCC1 ZINC001258233457 991167018 /nfs/dbraw/zinc/16/70/18/991167018.db2.gz CRFOHPMNKHVIFJ-NSHDSACASA-N 0 1 227.373 2.721 20 0 BFADMN Cn1ccc2cc(CN3CC[C@@H](F)C3)ccc21 ZINC001139188315 991180703 /nfs/dbraw/zinc/18/07/03/991180703.db2.gz DRNLNGFYSKMVBR-CYBMUJFWSA-N 0 1 232.302 2.722 20 0 BFADMN Cn1cnc2c1CN(C1CCCCCCC1)CC2 ZINC001258244109 991190468 /nfs/dbraw/zinc/19/04/68/991190468.db2.gz OFPNYSOZJJVXQP-UHFFFAOYSA-N 0 1 247.386 2.891 20 0 BFADMN c1cc(CN2CC3CC(C3)C2)cc2nsnc12 ZINC001139215021 991197872 /nfs/dbraw/zinc/19/78/72/991197872.db2.gz LHZWYCZMTLOBQF-UHFFFAOYSA-N 0 1 245.351 2.533 20 0 BFADMN CC1(C)CCC[C@@H](NCc2ncc(F)cn2)C1 ZINC001258275240 991200688 /nfs/dbraw/zinc/20/06/88/991200688.db2.gz HJNWMMRPVGOHFJ-LLVKDONJSA-N 0 1 237.322 2.674 20 0 BFADMN COc1nscc1CN(C(C)C)C(C)C ZINC001559675251 991213400 /nfs/dbraw/zinc/21/34/00/991213400.db2.gz DNYVZQNRSSIARY-UHFFFAOYSA-N 0 1 228.361 2.771 20 0 BFADMN CC[C@H](NCC1=NOCC1)c1ccc(F)cc1 ZINC001559671186 991215744 /nfs/dbraw/zinc/21/57/44/991215744.db2.gz GIXIBWQVZBYRNS-ZDUSSCGKSA-N 0 1 236.290 2.643 20 0 BFADMN CCOC(=O)CN(CC)[C@@H]1CCCC(C)(C)C1 ZINC001258295169 991229794 /nfs/dbraw/zinc/22/97/94/991229794.db2.gz XWMQITOBCRLFJI-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN CSC(C)(C)C[C@H](C)NCc1ncco1 ZINC001258319114 991244384 /nfs/dbraw/zinc/24/43/84/991244384.db2.gz ILZIXZJQZOMEDB-VIFPVBQESA-N 0 1 228.361 2.684 20 0 BFADMN CSC(C)(C)C[C@H](C)NCc1nc(C)co1 ZINC001258320373 991245093 /nfs/dbraw/zinc/24/50/93/991245093.db2.gz RKJIOBOXVSMPIB-VIFPVBQESA-N 0 1 242.388 2.993 20 0 BFADMN CSC(C)(C)C[C@H](C)NCc1cocn1 ZINC001258323891 991248440 /nfs/dbraw/zinc/24/84/40/991248440.db2.gz JABGLWQWPJZLOU-VIFPVBQESA-N 0 1 228.361 2.684 20 0 BFADMN CSC(C)(C)C[C@H](C)N1CCC(=O)CC1 ZINC001258333889 991258963 /nfs/dbraw/zinc/25/89/63/991258963.db2.gz CKQHZWLHMIKIFP-JTQLQIEISA-N 0 1 229.389 2.572 20 0 BFADMN CSC(C)(C)C[C@@H](C)N1CC2(C1)CCCO2 ZINC001258334407 991262249 /nfs/dbraw/zinc/26/22/49/991262249.db2.gz FXMNQTKXTMPJNV-LLVKDONJSA-N 0 1 243.416 2.771 20 0 BFADMN CCCCN(C)Cc1cn2c(cccc2F)n1 ZINC001139566516 991272213 /nfs/dbraw/zinc/27/22/13/991272213.db2.gz OGBQLXALOJACQA-UHFFFAOYSA-N 0 1 235.306 2.705 20 0 BFADMN CN(CCC1CC1)Cc1cn2c(cccc2F)n1 ZINC001139574560 991279591 /nfs/dbraw/zinc/27/95/91/991279591.db2.gz VFWCFCSBYBSJNP-UHFFFAOYSA-N 0 1 247.317 2.705 20 0 BFADMN CCCCC[C@H](CC)n1ccnc1CN ZINC001258429844 991360739 /nfs/dbraw/zinc/36/07/39/991360739.db2.gz DWEMLHSGESVRTB-NSHDSACASA-N 0 1 209.337 2.873 20 0 BFADMN CCCCC[C@@H](CC)Nc1nccnc1CN ZINC001258438937 991375299 /nfs/dbraw/zinc/37/52/99/991375299.db2.gz QRQJTVUPYTWCJY-LLVKDONJSA-N 0 1 236.363 2.706 20 0 BFADMN COc1ncc(CN2CC[C@H](C)C[C@@H]2C)s1 ZINC001139817512 991380321 /nfs/dbraw/zinc/38/03/21/991380321.db2.gz VGJDACZWXDUXJW-UWVGGRQHSA-N 0 1 240.372 2.772 20 0 BFADMN COc1ncc(CN2CC[C@@H](C)C[C@@H]2C)s1 ZINC001139817514 991382816 /nfs/dbraw/zinc/38/28/16/991382816.db2.gz VGJDACZWXDUXJW-ZJUUUORDSA-N 0 1 240.372 2.772 20 0 BFADMN CCCCC[C@@H](CC)N1CCO[C@@H](C(C)=O)C1 ZINC001258447475 991392831 /nfs/dbraw/zinc/39/28/31/991392831.db2.gz CLBBVYQKWXULEH-ZIAGYGMSSA-N 0 1 241.375 2.635 20 0 BFADMN C[C@H](CC1CC1)NC1(c2cccc(F)c2)COC1 ZINC001258450879 991399652 /nfs/dbraw/zinc/39/96/52/991399652.db2.gz ZMOCWYCZRXUUMR-LLVKDONJSA-N 0 1 249.329 2.829 20 0 BFADMN C[C@@H](CC1CC1)N1CCO[C@H](c2ccccn2)C1 ZINC001258467781 991430573 /nfs/dbraw/zinc/43/05/73/991430573.db2.gz MVSKCPLATBKSAV-WFASDCNBSA-N 0 1 246.354 2.644 20 0 BFADMN C[C@H](CC1CC1)N1CCO[C@H](c2ccccn2)C1 ZINC001258467778 991431481 /nfs/dbraw/zinc/43/14/81/991431481.db2.gz MVSKCPLATBKSAV-DOMZBBRYSA-N 0 1 246.354 2.644 20 0 BFADMN C[C@@H](CC1CC1)N1CCO[C@@H](c2ccncc2)C1 ZINC001258472560 991440137 /nfs/dbraw/zinc/44/01/37/991440137.db2.gz KGITVFQVESASEF-SWLSCSKDSA-N 0 1 246.354 2.644 20 0 BFADMN C[C@H](CC1CC1)N1CCO[C@@H](c2ccncc2)C1 ZINC001258472559 991441796 /nfs/dbraw/zinc/44/17/96/991441796.db2.gz KGITVFQVESASEF-IUODEOHRSA-N 0 1 246.354 2.644 20 0 BFADMN CN(Cc1cccnn1)[C@@H]1CCc2ccccc21 ZINC001139977202 991449160 /nfs/dbraw/zinc/44/91/60/991449160.db2.gz OAHTTZQVSRFQOY-OAHLLOKOSA-N 0 1 239.322 2.596 20 0 BFADMN CCOC(=O)CC[C@H](C)N1Cc2ccccc2C1 ZINC001258487940 991459426 /nfs/dbraw/zinc/45/94/26/991459426.db2.gz DQDYLXWJJHWJBP-LBPRGKRZSA-N 0 1 247.338 2.734 20 0 BFADMN Clc1ncc(CN2CCCCCCC2)cn1 ZINC001139992816 991475519 /nfs/dbraw/zinc/47/55/19/991475519.db2.gz VKSQKKFBEGLCAO-UHFFFAOYSA-N 0 1 239.750 2.896 20 0 BFADMN [CH2]CC[N@@H+](CCN)C1CCC(CCC)CC1 ZINC001258531027 991478834 /nfs/dbraw/zinc/47/88/34/991478834.db2.gz SZCWSBAHQDDDFV-UHFFFAOYSA-N 0 1 225.400 2.830 20 0 BFADMN CSc1nccc(CN2CCCC[C@@H]2C)n1 ZINC001140032991 991489254 /nfs/dbraw/zinc/48/92/54/991489254.db2.gz MISQQTQIOIRVJB-JTQLQIEISA-N 0 1 237.372 2.573 20 0 BFADMN CCN(C)Cc1cc(C(F)(F)F)ccn1 ZINC001140101925 991520359 /nfs/dbraw/zinc/52/03/59/991520359.db2.gz DTJYTXCNJUZESQ-UHFFFAOYSA-N 0 1 218.222 2.552 20 0 BFADMN Oc1ccc(F)c(CN2CCC[C@H](CF)C2)c1 ZINC001140048470 991498090 /nfs/dbraw/zinc/49/80/90/991498090.db2.gz GFFAXTYZZBTTDC-SNVBAGLBSA-N 0 1 241.281 2.713 20 0 BFADMN Oc1ccc(F)c(CN2CCC3(CC3)CC2)c1 ZINC001140046186 991498813 /nfs/dbraw/zinc/49/88/13/991498813.db2.gz YPVWQWZKYRRZNP-UHFFFAOYSA-N 0 1 235.302 2.907 20 0 BFADMN Cc1ccc(CNCc2ccc3[nH]cnc3c2)o1 ZINC001560547958 991500584 /nfs/dbraw/zinc/50/05/84/991500584.db2.gz WYFMDKVSVWYMCN-UHFFFAOYSA-N 0 1 241.294 2.754 20 0 BFADMN Cc1ccc(CNCc2ccc3nc[nH]c3c2)o1 ZINC001560547958 991500597 /nfs/dbraw/zinc/50/05/97/991500597.db2.gz WYFMDKVSVWYMCN-UHFFFAOYSA-N 0 1 241.294 2.754 20 0 BFADMN CCN(Cc1cc(O)ccc1F)C1CC1 ZINC001140050446 991502206 /nfs/dbraw/zinc/50/22/06/991502206.db2.gz LBNBTJGQXDFDTR-UHFFFAOYSA-N 0 1 209.264 2.516 20 0 BFADMN CC1(C)CC[C@H]([NH2+]CC(=O)c2ccc([O-])cc2)C1 ZINC001258600431 991503863 /nfs/dbraw/zinc/50/38/63/991503863.db2.gz RTONRZDPENQASB-LBPRGKRZSA-N 0 1 247.338 2.743 20 0 BFADMN COc1c(Cl)cccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001140056541 991507391 /nfs/dbraw/zinc/50/73/91/991507391.db2.gz AYSWNIQEGQLQDD-PHIMTYICSA-N 0 1 237.730 2.800 20 0 BFADMN Clc1ccc2nc(NCc3cc[nH]n3)[nH]c2c1 ZINC001560578736 991508985 /nfs/dbraw/zinc/50/89/85/991508985.db2.gz GDZVHWJDYXOHJQ-UHFFFAOYSA-N 0 1 247.689 2.552 20 0 BFADMN Fc1cccc(CN2CCC[C@@H](F)CC2)n1 ZINC001140130963 991523698 /nfs/dbraw/zinc/52/36/98/991523698.db2.gz AJDITEOFXKJTEM-SNVBAGLBSA-N 0 1 226.270 2.545 20 0 BFADMN Cc1ccncc1CN[C@H](C)c1ncccc1C ZINC001560618575 991527674 /nfs/dbraw/zinc/52/76/74/991527674.db2.gz RONXNBYMDVROTG-CYBMUJFWSA-N 0 1 241.338 2.944 20 0 BFADMN Cc1nc2c(o1)CCN([C@@H]1CCC(C)(C)C1)C2 ZINC001258609588 991531285 /nfs/dbraw/zinc/53/12/85/991531285.db2.gz RJUGOTZMPSJACE-LLVKDONJSA-N 0 1 234.343 2.920 20 0 BFADMN CC[C@@H](C)CN(CC)Cc1nc(CO)cs1 ZINC001560649548 991538074 /nfs/dbraw/zinc/53/80/74/991538074.db2.gz MONUIHCISKLELJ-SNVBAGLBSA-N 0 1 242.388 2.503 20 0 BFADMN CCn1ccc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC001560684020 991557526 /nfs/dbraw/zinc/55/75/26/991557526.db2.gz VUFWQOLXXCIUSY-LLVKDONJSA-N 0 1 233.359 2.666 20 0 BFADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(C)cc1O ZINC001140199656 991560264 /nfs/dbraw/zinc/56/02/64/991560264.db2.gz XKNCWWLCUZYNGP-IHRRRGAJSA-N 0 1 249.329 2.799 20 0 BFADMN Cc1cc(CN2CCC[C@H](F)C2)c(C)cc1O ZINC001140199804 991563064 /nfs/dbraw/zinc/56/30/64/991563064.db2.gz COVZRUOYHZVDKE-ZDUSSCGKSA-N 0 1 237.318 2.943 20 0 BFADMN C[C@H]1CC[C@@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001140226670 991567744 /nfs/dbraw/zinc/56/77/44/991567744.db2.gz OKMUGGPWGLLCFL-XVKPBYJWSA-N 0 1 239.702 2.574 20 0 BFADMN CC1(C)CN(Cc2c[nH]c3cccc(O)c23)C1 ZINC001140231958 991570455 /nfs/dbraw/zinc/57/04/55/991570455.db2.gz TZNCXVWEHJSFPV-UHFFFAOYSA-N 0 1 230.311 2.715 20 0 BFADMN C[C@H]1c2cccn2CCN1C[C@@]1(C)CCCCO1 ZINC001560720595 991574171 /nfs/dbraw/zinc/57/41/71/991574171.db2.gz YKAPPNBRDVAQPM-DZGCQCFKSA-N 0 1 248.370 2.824 20 0 BFADMN CCc1ccc(-c2n[nH]c(SCOC)n2)cc1 ZINC001317698145 991576335 /nfs/dbraw/zinc/57/63/35/991576335.db2.gz LIDVFKOWONHYMS-UHFFFAOYSA-N 0 1 249.339 2.730 20 0 BFADMN C[C@H]1CCCCC[N@H+]1Cc1ccncc1[O-] ZINC001140277582 991589334 /nfs/dbraw/zinc/58/93/34/991589334.db2.gz GIIHTWJVXZQLAB-NSHDSACASA-N 0 1 220.316 2.552 20 0 BFADMN CCC[C@H](Cc1ccccc1)N1CC(OC)C1 ZINC001258655643 991593512 /nfs/dbraw/zinc/59/35/12/991593512.db2.gz APHQPVGJKAXMBI-CQSZACIVSA-N 0 1 233.355 2.728 20 0 BFADMN Cc1ccc2n[nH]c(CN3C[C@@H](F)C[C@H]3C)c2c1 ZINC001140328877 991604052 /nfs/dbraw/zinc/60/40/52/991604052.db2.gz NHLJKMSDRHNVCZ-MNOVXSKESA-N 0 1 247.317 2.804 20 0 BFADMN Cc1ccc2n[nH]c(CN3C[C@@H](C)[C@@H](F)C3)c2c1 ZINC001140328479 991606834 /nfs/dbraw/zinc/60/68/34/991606834.db2.gz DZSWAEDFARLLHK-PWSUYJOCSA-N 0 1 247.317 2.661 20 0 BFADMN [O-]c1cnccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140282159 991607607 /nfs/dbraw/zinc/60/76/07/991607607.db2.gz OGNMFQYKIFJEDZ-CHWSQXEVSA-N 0 1 246.354 2.799 20 0 BFADMN Cc1ccc2n[nH]c(CN3CCC[C@@H]3CF)c2c1 ZINC001140332331 991611686 /nfs/dbraw/zinc/61/16/86/991611686.db2.gz UOSYIYSTVLXGGT-LLVKDONJSA-N 0 1 247.317 2.805 20 0 BFADMN C[C@H]1C[C@H](n2ccnc2CN)CC(C)(C)C1 ZINC001258684977 991619470 /nfs/dbraw/zinc/61/94/70/991619470.db2.gz DWIBTSGWEUTSDM-QWRGUYRKSA-N 0 1 221.348 2.729 20 0 BFADMN C[C@@H]1C[C@@H](Nc2nccnc2CN)CC(C)(C)C1 ZINC001258689248 991621628 /nfs/dbraw/zinc/62/16/28/991621628.db2.gz DSDWLZNHNNUOFM-GHMZBOCLSA-N 0 1 248.374 2.562 20 0 BFADMN CCCCCOC1CN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001560875612 991632961 /nfs/dbraw/zinc/63/29/61/991632961.db2.gz XSYRGYJCTSNBOR-BTTYYORXSA-N 0 1 237.387 2.924 20 0 BFADMN CCN(C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140402309 991634763 /nfs/dbraw/zinc/63/47/63/991634763.db2.gz GTJNKWIKQLEVNH-UHFFFAOYSA-N 0 1 245.301 2.734 20 0 BFADMN O=C([O-])c1ccccc1C[N@H+]1CCCC12CC2 ZINC001140498558 991654778 /nfs/dbraw/zinc/65/47/78/991654778.db2.gz QYPVCXORRYDBFB-UHFFFAOYSA-N 0 1 231.295 2.513 20 0 BFADMN CC1CC([N@@H+](C)Cc2ccccc2C(=O)[O-])C1 ZINC001140499089 991654969 /nfs/dbraw/zinc/65/49/69/991654969.db2.gz ZYLNGWXSQYZSAC-UHFFFAOYSA-N 0 1 233.311 2.615 20 0 BFADMN C[C@@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])C2(CC2)C1 ZINC001140503101 991656912 /nfs/dbraw/zinc/65/69/12/991656912.db2.gz JRVVSXOXUFNIRF-NSHDSACASA-N 0 1 245.322 2.759 20 0 BFADMN C[C@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])C2(CC2)C1 ZINC001140503100 991657009 /nfs/dbraw/zinc/65/70/09/991657009.db2.gz JRVVSXOXUFNIRF-LLVKDONJSA-N 0 1 245.322 2.759 20 0 BFADMN Cc1cc(CN(C)Cc2ccccn2)ccc1O ZINC001140574777 991676639 /nfs/dbraw/zinc/67/66/39/991676639.db2.gz QMTPRJDUBYSVLV-UHFFFAOYSA-N 0 1 242.322 2.728 20 0 BFADMN CC[C@@H]1CCCN1C(=O)c1cnc(C(C)C)[nH]1 ZINC001318679479 991696010 /nfs/dbraw/zinc/69/60/10/991696010.db2.gz UFAMLMLNOWDDAT-SNVBAGLBSA-N 0 1 235.331 2.548 20 0 BFADMN CCCC[C@H](CCC)N1CCO[C@@H](C(C)=O)C1 ZINC001258764321 991715443 /nfs/dbraw/zinc/71/54/43/991715443.db2.gz MUFRZMQKXDJRMT-UONOGXRCSA-N 0 1 241.375 2.635 20 0 BFADMN CCCC[C@@H](CCC)N1CCO[C@H](C(C)=O)C1 ZINC001258764320 991720541 /nfs/dbraw/zinc/72/05/41/991720541.db2.gz MUFRZMQKXDJRMT-KGLIPLIRSA-N 0 1 241.375 2.635 20 0 BFADMN CS[C@@H]1CC[C@@H](N(C)Cc2ncc(C)o2)C1 ZINC001318855638 991727745 /nfs/dbraw/zinc/72/77/45/991727745.db2.gz ZLAQXCYPTPLPAU-GHMZBOCLSA-N 0 1 240.372 2.699 20 0 BFADMN CCC[C@H](C)OC(=O)[C@H]1CCCCN1CCC ZINC001318922026 991737368 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ZINC000309444513 387779694 /nfs/dbraw/zinc/77/96/94/387779694.db2.gz KYDYWTYJIHNNCR-VIFPVBQESA-N 0 1 223.320 2.609 20 0 BFADMN CC[C@@H](F)COc1ccccc1-c1nnc[nH]1 ZINC000441843667 387782105 /nfs/dbraw/zinc/78/21/05/387782105.db2.gz PDSASKREPXYWBJ-SECBINFHSA-N 0 1 235.262 2.599 20 0 BFADMN CC[C@H](F)CSCc1n[nH]c(C2CC2)n1 ZINC000442561734 387806133 /nfs/dbraw/zinc/80/61/33/387806133.db2.gz WTYMERKFBABHQH-QMMMGPOBSA-N 0 1 229.324 2.663 20 0 BFADMN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1cncs1 ZINC000528000382 387807522 /nfs/dbraw/zinc/80/75/22/387807522.db2.gz RDUFMEOMBVEKNK-JLLWLGSASA-N 0 1 240.372 2.750 20 0 BFADMN COC[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000193900431 387808055 /nfs/dbraw/zinc/80/80/55/387808055.db2.gz ASZNZMPJXBJUOC-QMMMGPOBSA-N 0 1 233.764 2.868 20 0 BFADMN Clc1n[nH]c2c1cc(Cl)nc2Cl ZINC000575624629 387821423 /nfs/dbraw/zinc/82/14/23/387821423.db2.gz MPSYANBGJZKBTK-UHFFFAOYSA-N 0 1 222.462 2.918 20 0 BFADMN CCOC(=O)CN(CC1(C)CCC1)C1CCC1 ZINC000432802444 387825468 /nfs/dbraw/zinc/82/54/68/387825468.db2.gz DCISBWLEUKVZBT-UHFFFAOYSA-N 0 1 239.359 2.594 20 0 BFADMN CCCN(CCC)C(=O)c1cc(C2CC2)[nH]n1 ZINC000041452590 387828800 /nfs/dbraw/zinc/82/88/00/387828800.db2.gz XHCLFCHGFRXYNL-UHFFFAOYSA-N 0 1 235.331 2.549 20 0 BFADMN Cc1ccc(CC[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1 ZINC000139207699 387838957 /nfs/dbraw/zinc/83/89/57/387838957.db2.gz MTYYYVACIZBNJP-UONOGXRCSA-N 0 1 233.355 2.647 20 0 BFADMN CC1(C)CN(Cc2cocn2)CC(C)(C)C1 ZINC000432913901 387841789 /nfs/dbraw/zinc/84/17/89/387841789.db2.gz BTMXQHOWFFKKPO-UHFFFAOYSA-N 0 1 222.332 2.933 20 0 BFADMN CCCN(CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442798648 387844174 /nfs/dbraw/zinc/84/41/74/387844174.db2.gz JQLMWSHFYIZKGC-UHFFFAOYSA-N 0 1 235.253 2.660 20 0 BFADMN CC[C@@H]1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000452513281 387845189 /nfs/dbraw/zinc/84/51/89/387845189.db2.gz AFURAUVKTGCFOT-VXGBXAGGSA-N 0 1 249.358 2.583 20 0 BFADMN Cc1cccc(CCN2CC[C@H](C)[C@H](F)C2)n1 ZINC000645847970 387858849 /nfs/dbraw/zinc/85/88/49/387858849.db2.gz WWQUOEQDZMCPJI-SMDDNHRTSA-N 0 1 236.334 2.612 20 0 BFADMN Cc1cc(F)c(CNCCOC(C)C)c(F)c1 ZINC000424169308 387861258 /nfs/dbraw/zinc/86/12/58/387861258.db2.gz JHFXYWQFWXLKTB-UHFFFAOYSA-N 0 1 243.297 2.788 20 0 BFADMN Cc1cccc(NCCCC(C)(C)CO)n1 ZINC000157694172 387864099 /nfs/dbraw/zinc/86/40/99/387864099.db2.gz KVBGKRXTSUTVSH-UHFFFAOYSA-N 0 1 222.332 2.601 20 0 BFADMN C/C=C/C[C@H]1CCCN(Cc2cocn2)C1 ZINC000628494856 387865044 /nfs/dbraw/zinc/86/50/44/387865044.db2.gz BBSZUUNFWMZMBJ-JDGPPOGSSA-N 0 1 220.316 2.853 20 0 BFADMN COC[C@@H](NCC1=CCCC1)c1ccc(C)o1 ZINC000645853531 387870622 /nfs/dbraw/zinc/87/06/22/387870622.db2.gz XDSXLGNQURQERF-CYBMUJFWSA-N 0 1 235.327 2.975 20 0 BFADMN Cc1nnc([C@H]2CCCCN2CC2(C)CCC2)[nH]1 ZINC000432776737 387818024 /nfs/dbraw/zinc/81/80/24/387818024.db2.gz QNIGSAHNGUEJHW-GFCCVEGCSA-N 0 1 248.374 2.830 20 0 BFADMN Cc1nnc([C@@H]2CCCCN2CC2(C)CCC2)[nH]1 ZINC000432776739 387818059 /nfs/dbraw/zinc/81/80/59/387818059.db2.gz QNIGSAHNGUEJHW-LBPRGKRZSA-N 0 1 248.374 2.830 20 0 BFADMN CC/C=C/CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000452611774 387875336 /nfs/dbraw/zinc/87/53/36/387875336.db2.gz JYCACTSRMRCYGP-VOTSOKGWSA-N 0 1 235.331 2.538 20 0 BFADMN Cc1ccc(F)c(CN(C)CCC(C)(C)O)c1 ZINC000444737506 387919328 /nfs/dbraw/zinc/91/93/28/387919328.db2.gz QPCWBYZYWCSCRH-UHFFFAOYSA-N 0 1 239.334 2.727 20 0 BFADMN C[C@@H]1CCCN(Cc2ncccc2Cl)C1 ZINC000528345569 387904341 /nfs/dbraw/zinc/90/43/41/387904341.db2.gz SSBYHSCGHUCOHN-SNVBAGLBSA-N 0 1 224.735 2.967 20 0 BFADMN CC[C@@H]1CCC[C@H](NCc2nccc(OC)n2)C1 ZINC000424187945 387906178 /nfs/dbraw/zinc/90/61/78/387906178.db2.gz JVJOVJAVARKTMQ-NEPJUHHUSA-N 0 1 249.358 2.544 20 0 BFADMN Cc1cc(F)c(CNCCC[C@@H](C)O)c(F)c1 ZINC000424188928 387910683 /nfs/dbraw/zinc/91/06/83/387910683.db2.gz KGOIVSNWDNRJHT-SNVBAGLBSA-N 0 1 243.297 2.524 20 0 BFADMN Cc1nccnc1[C@H](C)NC[C@@H](C)C(F)(F)F ZINC000437012884 387910911 /nfs/dbraw/zinc/91/09/11/387910911.db2.gz NXVBRHPAOBRWRJ-APPZFPTMSA-N 0 1 247.264 2.634 20 0 BFADMN Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000438364025 387929299 /nfs/dbraw/zinc/92/92/99/387929299.db2.gz IZBVJENHBCHXGG-IHRRRGAJSA-N 0 1 233.355 2.993 20 0 BFADMN CCc1nnc(CN2CCC[C@@H](C(C)C)C2)o1 ZINC000444753444 387922001 /nfs/dbraw/zinc/92/20/01/387922001.db2.gz NOSKOBVXESJPAE-LLVKDONJSA-N 0 1 237.347 2.500 20 0 BFADMN CC(C)c1nnc(CN(CC2CC2)C(C)C)o1 ZINC000533036825 387924334 /nfs/dbraw/zinc/92/43/34/387924334.db2.gz LAJZAILTXAMTPM-UHFFFAOYSA-N 0 1 237.347 2.813 20 0 BFADMN F[C@]1(c2ccccc2)C[C@H]1NCC1=CCCOC1 ZINC000424198416 387926931 /nfs/dbraw/zinc/92/69/31/387926931.db2.gz PEGKSPVHPJJQEB-CABCVRRESA-N 0 1 247.313 2.560 20 0 BFADMN COc1cccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000438358432 387928102 /nfs/dbraw/zinc/92/81/02/387928102.db2.gz PQTHORIDRGJQNU-XQQFMLRXSA-N 0 1 249.354 2.693 20 0 BFADMN CCC(C)(C)CC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424260899 387946384 /nfs/dbraw/zinc/94/63/84/387946384.db2.gz BQSPUERHTFKKNT-NEPJUHHUSA-N 0 1 241.375 2.998 20 0 BFADMN CCc1nnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000249104990 387958371 /nfs/dbraw/zinc/95/83/71/387958371.db2.gz HVDQGUMDOVVHES-HBNTYKKESA-N 0 1 237.347 2.546 20 0 BFADMN COC[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000424318785 387968262 /nfs/dbraw/zinc/96/82/62/387968262.db2.gz HRKOOAGIXNLAOP-SOUVJXGZSA-N 0 1 249.329 2.638 20 0 BFADMN CCOC[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424320824 387969371 /nfs/dbraw/zinc/96/93/71/387969371.db2.gz GQTWQRFDERPMMZ-FPMFFAJLSA-N 0 1 237.318 2.638 20 0 BFADMN C[C@@H](CF)NCc1ccc(Br)cc1 ZINC000288344581 387978755 /nfs/dbraw/zinc/97/87/55/387978755.db2.gz BRLMEJNOTDBXPP-QMMMGPOBSA-N 0 1 246.123 2.897 20 0 BFADMN C[C@H](CF)NCc1ccc(Cl)c(F)c1 ZINC000288350132 387979198 /nfs/dbraw/zinc/97/91/98/387979198.db2.gz CBOJAQYSOFCTCD-SSDOTTSWSA-N 0 1 219.662 2.927 20 0 BFADMN Cc1ccc(CN2CCO[C@H](C)[C@H]2C)s1 ZINC000245746960 387979800 /nfs/dbraw/zinc/97/98/00/387979800.db2.gz MZFFQEKQMRJMTA-GHMZBOCLSA-N 0 1 225.357 2.666 20 0 BFADMN CCn1ccnc1[C@@H]1CCCCN1CCCF ZINC000439000914 387974472 /nfs/dbraw/zinc/97/44/72/387974472.db2.gz XQBJILKLCZDIGY-LBPRGKRZSA-N 0 1 239.338 2.790 20 0 BFADMN Cc1cc(CN2CCCC3(CCCC3)C2)nn1C ZINC000445857009 387974590 /nfs/dbraw/zinc/97/45/90/387974590.db2.gz WFJINANEWBLDPD-UHFFFAOYSA-N 0 1 247.386 2.885 20 0 BFADMN CO[C@H]1C[C@H]2C[C@H](N[C@@H](C)C(C)(F)F)C[C@H]2C1 ZINC000424342858 387975840 /nfs/dbraw/zinc/97/58/40/387975840.db2.gz DUEHIDVZPCVVBZ-PREPNJAASA-N 0 1 247.329 2.823 20 0 BFADMN c1nc2c(s1)CN([C@H]1C=CCCC1)CC2 ZINC000445871343 387977477 /nfs/dbraw/zinc/97/74/77/387977477.db2.gz KOLOVLTUIATWLE-JTQLQIEISA-N 0 1 220.341 2.610 20 0 BFADMN CC(C)(C)OC(=O)CN1CCCCC(C)(C)C1 ZINC000446064091 387989933 /nfs/dbraw/zinc/98/99/33/387989933.db2.gz TYJJGAFOPBKAHF-UHFFFAOYSA-N 0 1 241.375 2.840 20 0 BFADMN CCc1cnccc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000453170399 388001312 /nfs/dbraw/zinc/00/13/12/388001312.db2.gz VGPIWMQGLFJWAT-QWRGUYRKSA-N 0 1 244.342 2.779 20 0 BFADMN CC[C@@H](CC(F)(F)F)N[C@@H]1CCn2ccnc21 ZINC000453190092 388005288 /nfs/dbraw/zinc/00/52/88/388005288.db2.gz BXGVYZIUJCFODU-DTWKUNHWSA-N 0 1 247.264 2.649 20 0 BFADMN Cc1cccc(NC(=O)[C@@H](C)N2[C@H](C)C[C@@H]2C)c1 ZINC000548754117 388009800 /nfs/dbraw/zinc/00/98/00/388009800.db2.gz BQWMDNHZLZTUNO-FRRDWIJNSA-N 0 1 246.354 2.805 20 0 BFADMN CCn1ccnc1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000453202986 388009832 /nfs/dbraw/zinc/00/98/32/388009832.db2.gz DOKRVRYBYACLKN-NEPJUHHUSA-N 0 1 233.359 2.886 20 0 BFADMN CCCCN1C(=O)N=NC1SC[C@@H](F)CC ZINC000440582373 388057016 /nfs/dbraw/zinc/05/70/16/388057016.db2.gz YIZLHCRKAYLQMS-QMMMGPOBSA-N 0 1 247.339 2.624 20 0 BFADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1cccc(F)c1 ZINC000083663027 388057633 /nfs/dbraw/zinc/05/76/33/388057633.db2.gz UVXNLLUNVCZGEW-JTQLQIEISA-N 0 1 239.290 2.683 20 0 BFADMN CC[N@@H+](CCC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000083662663 388057759 /nfs/dbraw/zinc/05/77/59/388057759.db2.gz QWIKMFWGHAXSRI-JTQLQIEISA-N 0 1 239.290 2.683 20 0 BFADMN CC[C@@H](F)CN[C@H](COC)c1ccc(F)cc1 ZINC000440596990 388059432 /nfs/dbraw/zinc/05/94/32/388059432.db2.gz HKOAHNIBNUYOPN-DGCLKSJQSA-N 0 1 243.297 2.851 20 0 BFADMN CC[C@@H](F)CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000440597994 388061125 /nfs/dbraw/zinc/06/11/25/388061125.db2.gz MRNDMEGEAHRADD-NEPJUHHUSA-N 0 1 241.354 2.845 20 0 BFADMN CC[C@@H](F)CN(C)Cc1cccc(OC)c1 ZINC000440693489 388066239 /nfs/dbraw/zinc/06/62/39/388066239.db2.gz ODVWQLKZUAOHKY-GFCCVEGCSA-N 0 1 225.307 2.875 20 0 BFADMN CCOC(=O)[C@H](CC)N1CCC(C)(CC)CC1 ZINC000084120928 388072408 /nfs/dbraw/zinc/07/24/08/388072408.db2.gz HRDFLTTYZKCTNF-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN Cc1cc([C@H](C)NCCc2ccc(C)cn2)no1 ZINC000453427957 388081714 /nfs/dbraw/zinc/08/17/14/388081714.db2.gz OXDLELVJEBNQHO-LBPRGKRZSA-N 0 1 245.326 2.580 20 0 BFADMN CC[C@@](C)(CNc1ccc2c(n1)CCC2)OC ZINC000322895995 388085362 /nfs/dbraw/zinc/08/53/62/388085362.db2.gz ZYTPTVSNCCYUSZ-AWEZNQCLSA-N 0 1 234.343 2.797 20 0 BFADMN Fc1ccc(CNCc2cc[nH]c2)c(F)c1 ZINC000085579741 388090661 /nfs/dbraw/zinc/09/06/61/388090661.db2.gz IKGASRQNQQQHLF-UHFFFAOYSA-N 0 1 222.238 2.583 20 0 BFADMN c1ccc(SCc2n[nH]c(C3CC3)n2)cc1 ZINC000086097043 388100284 /nfs/dbraw/zinc/10/02/84/388100284.db2.gz ZQMMHKPCBJBWGR-UHFFFAOYSA-N 0 1 231.324 2.974 20 0 BFADMN CC(C)C[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000086472595 388103607 /nfs/dbraw/zinc/10/36/07/388103607.db2.gz VJAOZEJMPDTTRZ-JTQLQIEISA-N 0 1 245.326 2.727 20 0 BFADMN CCc1ccc(C[N@H+](CC(=O)[O-])[C@H](C)CC)o1 ZINC000086752449 388107591 /nfs/dbraw/zinc/10/75/91/388107591.db2.gz MKOPBGDAHALFPX-SNVBAGLBSA-N 0 1 239.315 2.527 20 0 BFADMN C[C@@H](C[N@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000086729785 388108210 /nfs/dbraw/zinc/10/82/10/388108210.db2.gz RMBMJJJZDKBXDY-GXTWGEPZSA-N 0 1 247.338 2.729 20 0 BFADMN Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(C)c1 ZINC000086779449 388108776 /nfs/dbraw/zinc/10/87/76/388108776.db2.gz XPGASFWRUHGOBP-OAHLLOKOSA-N 0 1 247.338 2.600 20 0 BFADMN CO[C@@H](C)CNC1(c2ccccc2Cl)CC1 ZINC000645978432 388113896 /nfs/dbraw/zinc/11/38/96/388113896.db2.gz MDMGCYXRNZOZCP-JTQLQIEISA-N 0 1 239.746 2.954 20 0 BFADMN CC[C@@H](F)CN[C@@H](CC)c1c(C)nn(C)c1C ZINC000440498216 388044952 /nfs/dbraw/zinc/04/49/52/388044952.db2.gz XKLXPKYVZQHTCU-NEPJUHHUSA-N 0 1 241.354 2.826 20 0 BFADMN Cc1ccc([C@@H](N)C(=O)NCCC(C)(C)C)cc1 ZINC000083379068 388050227 /nfs/dbraw/zinc/05/02/27/388050227.db2.gz FESGASSXPHEQGT-CYBMUJFWSA-N 0 1 248.370 2.547 20 0 BFADMN CC(C)(CF)NCc1cc2cccnc2o1 ZINC000449246403 388161454 /nfs/dbraw/zinc/16/14/54/388161454.db2.gz BQHHIHKVISERFI-UHFFFAOYSA-N 0 1 222.263 2.666 20 0 BFADMN Cc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)cs1 ZINC000449250167 388162369 /nfs/dbraw/zinc/16/23/69/388162369.db2.gz ODFPOSFVBVHYBP-MNOVXSKESA-N 0 1 238.400 2.581 20 0 BFADMN CCC[C@H](N[C@H](CC)C1CCCC1)C(=O)OC ZINC000449259328 388163852 /nfs/dbraw/zinc/16/38/52/388163852.db2.gz SWOJTWKGDXVUKF-OLZOCXBDSA-N 0 1 241.375 2.887 20 0 BFADMN FCC(CF)NC[C@H]1C[C@H]1c1ccccc1 ZINC000449379422 388187875 /nfs/dbraw/zinc/18/78/75/388187875.db2.gz IBIAZDANYCVGRV-YPMHNXCESA-N 0 1 225.282 2.687 20 0 BFADMN CCc1cccc(C[N@H+](CC(=O)[O-])[C@@H](C)CC)c1 ZINC000455640532 388165934 /nfs/dbraw/zinc/16/59/34/388165934.db2.gz JKUYPHVHWXHGSV-LBPRGKRZSA-N 0 1 249.354 2.934 20 0 BFADMN C[C@H]1C[C@H](NC(CF)CF)C[C@@H](C)C1 ZINC000449379189 388188072 /nfs/dbraw/zinc/18/80/72/388188072.db2.gz HFGXPSAKLQKEDM-MYJAWHEDSA-N 0 1 205.292 2.708 20 0 BFADMN C[C@H]1CCCC[C@@H]1CNC(CF)CF ZINC000449379397 388188117 /nfs/dbraw/zinc/18/81/17/388188117.db2.gz HWVMCGSMDPBMKH-VHSXEESVSA-N 0 1 205.292 2.710 20 0 BFADMN CCN1CC[N@H+](CCc2cccc(C)c2)[C@H](C)C1 ZINC000449321518 388172380 /nfs/dbraw/zinc/17/23/80/388172380.db2.gz MAGZVCADXZGVLP-OAHLLOKOSA-N 0 1 246.398 2.564 20 0 BFADMN CO[C@H]1CCC[C@@H](Nc2cc3c(cn2)CCC3)C1 ZINC000646282168 388175567 /nfs/dbraw/zinc/17/55/67/388175567.db2.gz BLNCJRRCUGFMEX-KGLIPLIRSA-N 0 1 246.354 2.940 20 0 BFADMN CC[C@@H]1CCN1Cc1ccnn1C1CCCC1 ZINC000449337492 388176043 /nfs/dbraw/zinc/17/60/43/388176043.db2.gz BQCCXVMSZYALEU-GFCCVEGCSA-N 0 1 233.359 2.983 20 0 BFADMN CC(C)N(Cc1ccc(Cl)cc1)C1COC1 ZINC000449351799 388179871 /nfs/dbraw/zinc/17/98/71/388179871.db2.gz RPXVZZJDUODGIZ-UHFFFAOYSA-N 0 1 239.746 2.949 20 0 BFADMN C[C@@H](CCc1ccc(O)cc1)NC(CF)CF ZINC000449381520 388188652 /nfs/dbraw/zinc/18/86/52/388188652.db2.gz SLYOOBVPWYDORM-JTQLQIEISA-N 0 1 243.297 2.611 20 0 BFADMN CCC[C@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000466463396 388118452 /nfs/dbraw/zinc/11/84/52/388118452.db2.gz JQXWHNXNGWYBGO-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN CC[N@@H+](Cc1ccncc1F)C1CCC1 ZINC000449027224 388132130 /nfs/dbraw/zinc/13/21/30/388132130.db2.gz HXCPGHVCPAHBOR-UHFFFAOYSA-N 0 1 208.280 2.595 20 0 BFADMN CCN(Cc1ccncc1F)C1CCC1 ZINC000449027224 388132131 /nfs/dbraw/zinc/13/21/31/388132131.db2.gz HXCPGHVCPAHBOR-UHFFFAOYSA-N 0 1 208.280 2.595 20 0 BFADMN Cc1cccc(CN2CCOC[C@H](C)C2)c1F ZINC000449029867 388132577 /nfs/dbraw/zinc/13/25/77/388132577.db2.gz QGHGOJBRZJXCQS-LLVKDONJSA-N 0 1 237.318 2.602 20 0 BFADMN CCc1cnc(CNC2CC(C)(F)C2)s1 ZINC000449374667 388186337 /nfs/dbraw/zinc/18/63/37/388186337.db2.gz BPNRCCIKELGOPQ-UHFFFAOYSA-N 0 1 228.336 2.686 20 0 BFADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cn[nH]c1 ZINC000648719189 388134567 /nfs/dbraw/zinc/13/45/67/388134567.db2.gz BDDGBPPLLAXSTE-PSASIEDQSA-N 0 1 247.264 2.573 20 0 BFADMN C[C@@H]1CCC[C@@H](NCc2nc(C3CC3)no2)[C@H]1C ZINC000249684043 388134629 /nfs/dbraw/zinc/13/46/29/388134629.db2.gz JQYKYXYNPLTIKI-JFGNBEQYSA-N 0 1 249.358 2.861 20 0 BFADMN COc1cc(F)cc(CN2CCCCC2)c1 ZINC000449041897 388135164 /nfs/dbraw/zinc/13/51/64/388135164.db2.gz OYSFODUDGMUERV-UHFFFAOYSA-N 0 1 223.291 2.820 20 0 BFADMN C[C@H](N(C)Cc1ccncc1F)C1(C)CC1 ZINC000449044169 388135422 /nfs/dbraw/zinc/13/54/22/388135422.db2.gz BXJVPNHZSYJNLJ-JTQLQIEISA-N 0 1 222.307 2.841 20 0 BFADMN C[C@H](c1ccncc1)N1C[C@H](C)OC2(CCC2)C1 ZINC000646116243 388145097 /nfs/dbraw/zinc/14/50/97/388145097.db2.gz YKVZZPPXJUDLNF-QWHCGFSZSA-N 0 1 246.354 2.786 20 0 BFADMN C[C@@H](c1ccncc1)N1C[C@@H](C)OC2(CCC2)C1 ZINC000646116242 388145101 /nfs/dbraw/zinc/14/51/01/388145101.db2.gz YKVZZPPXJUDLNF-OLZOCXBDSA-N 0 1 246.354 2.786 20 0 BFADMN O=C([O-])CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646138632 388153645 /nfs/dbraw/zinc/15/36/45/388153645.db2.gz OLHAQCQBJDGXAD-LBPRGKRZSA-N 0 1 225.332 2.506 20 0 BFADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000167459339 388256739 /nfs/dbraw/zinc/25/67/39/388256739.db2.gz SDMQHWIMDDLLLX-HRDYMLBCSA-N 0 1 228.361 2.526 20 0 BFADMN C[C@H]1COCCN1C[C@H]1C[C@H]1c1ccccc1 ZINC000449384184 388189506 /nfs/dbraw/zinc/18/95/06/388189506.db2.gz MODHJRKJPOFQAK-CFVMTHIKSA-N 0 1 231.339 2.511 20 0 BFADMN F[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000449386453 388191188 /nfs/dbraw/zinc/19/11/88/388191188.db2.gz IKXLASYCWCFWCD-CQSZACIVSA-N 0 1 219.303 2.719 20 0 BFADMN Cc1cc(C)cc(CN2CC[C@H](F)C2)c1 ZINC000449391200 388191385 /nfs/dbraw/zinc/19/13/85/388191385.db2.gz XNJACLOJXBGSTQ-ZDUSSCGKSA-N 0 1 207.292 2.847 20 0 BFADMN CC[C@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488895672 388198065 /nfs/dbraw/zinc/19/80/65/388198065.db2.gz WLMCAVCAQSCDSI-ZETCQYMHSA-N 0 1 235.262 2.687 20 0 BFADMN COC1(C[C@@H](C)N[C@H](C)C(C)(F)F)CCC1 ZINC000449416524 388198688 /nfs/dbraw/zinc/19/86/88/388198688.db2.gz UQBRSWZZJBYUNL-NXEZZACHSA-N 0 1 235.318 2.967 20 0 BFADMN COCC1CCC(N[C@H](C)C(C)(F)F)CC1 ZINC000449416643 388198926 /nfs/dbraw/zinc/19/89/26/388198926.db2.gz USYCIECSGCURTK-KPPDAEKUSA-N 0 1 235.318 2.825 20 0 BFADMN C[C@H](CC1CCOCC1)N[C@@H](C)C(C)(F)F ZINC000449416893 388199753 /nfs/dbraw/zinc/19/97/53/388199753.db2.gz WANVFMAVBALFSY-ZJUUUORDSA-N 0 1 235.318 2.825 20 0 BFADMN Cc1cccc2nc(CN(C)[C@@H]3CC3(C)C)cn21 ZINC000489405229 388211705 /nfs/dbraw/zinc/21/17/05/388211705.db2.gz NWOKGGGRETUQHF-CYBMUJFWSA-N 0 1 243.354 2.873 20 0 BFADMN C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC1(C)C ZINC000489431772 388214009 /nfs/dbraw/zinc/21/40/09/388214009.db2.gz RYXMFUDFVKLXEM-CQSZACIVSA-N 0 1 247.338 2.688 20 0 BFADMN CCCc1noc(CN(C)C2(C)CCCC2)n1 ZINC000489847587 388226577 /nfs/dbraw/zinc/22/65/77/388226577.db2.gz PFGIFKOYJNUMPQ-UHFFFAOYSA-N 0 1 237.347 2.787 20 0 BFADMN Cc1cnc(CN2C[C@H](C(C)C)[C@H]2C(C)C)n1C ZINC000449550110 388229565 /nfs/dbraw/zinc/22/95/65/388229565.db2.gz CEOUTZYMAPNQSW-UKRRQHHQSA-N 0 1 249.402 2.841 20 0 BFADMN CCCn1cc(CN2CC(CC)(CC)C2)cn1 ZINC000459576461 388246660 /nfs/dbraw/zinc/24/66/60/388246660.db2.gz DQIUTGLSPPVIPR-UHFFFAOYSA-N 0 1 235.375 2.915 20 0 BFADMN Cc1ccoc1CNCc1cccc2c[nH]nc21 ZINC000491398670 388291820 /nfs/dbraw/zinc/29/18/20/388291820.db2.gz GOKAIHCORLIOSE-UHFFFAOYSA-N 0 1 241.294 2.754 20 0 BFADMN CCC[C@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836463 388299556 /nfs/dbraw/zinc/29/95/56/388299556.db2.gz ASZLATSYTYBYTK-GXTWGEPZSA-N 0 1 249.354 2.968 20 0 BFADMN OCCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451847320 388300156 /nfs/dbraw/zinc/30/01/56/388300156.db2.gz YETGEEKRZALOAL-ZDUSSCGKSA-N 0 1 235.327 2.579 20 0 BFADMN CO[C@@H](C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854491 388301466 /nfs/dbraw/zinc/30/14/66/388301466.db2.gz NEDOGDLJHKZCDP-AAEUAGOBSA-N 0 1 235.327 2.842 20 0 BFADMN COC[C@@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451862523 388301931 /nfs/dbraw/zinc/30/19/31/388301931.db2.gz VNTCNVYSAFRQAS-YPMHNXCESA-N 0 1 235.327 2.842 20 0 BFADMN CCCn1ncnc1CN[C@@H]1CCC12CCCC2 ZINC000451455072 388274911 /nfs/dbraw/zinc/27/49/11/388274911.db2.gz JPXNQZCXWZGNNX-GFCCVEGCSA-N 0 1 248.374 2.501 20 0 BFADMN C[C@H](NC1CC(F)(F)C1)c1ccc(F)cn1 ZINC000277228552 388353469 /nfs/dbraw/zinc/35/34/69/388353469.db2.gz YLSDANMMVKNGIO-ZETCQYMHSA-N 0 1 230.233 2.669 20 0 BFADMN CCOc1ccc(CNCc2conc2C)cc1 ZINC000293699185 388359478 /nfs/dbraw/zinc/35/94/78/388359478.db2.gz XAGOGCCGZCRMRG-UHFFFAOYSA-N 0 1 246.310 2.672 20 0 BFADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1Cl ZINC000235495203 388370668 /nfs/dbraw/zinc/37/06/68/388370668.db2.gz ONDRLQZKBJWPIM-VIFPVBQESA-N 0 1 241.718 2.553 20 0 BFADMN CCC[C@H](CNCc1c(F)cccc1F)OC ZINC000293548899 388388909 /nfs/dbraw/zinc/38/89/09/388388909.db2.gz BMOJLHYABNYBGM-SNVBAGLBSA-N 0 1 243.297 2.870 20 0 BFADMN CO[C@@H](C)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000293521104 388388919 /nfs/dbraw/zinc/38/89/19/388388919.db2.gz IPKZAFBFBXKLPF-VIFPVBQESA-N 0 1 243.734 2.560 20 0 BFADMN Cc1cc(C(=O)N2CCC3(C2)CCCCC3)n[nH]1 ZINC000174239404 388390424 /nfs/dbraw/zinc/39/04/24/388390424.db2.gz BOECEGGTUXJGAG-UHFFFAOYSA-N 0 1 247.342 2.515 20 0 BFADMN COC(=O)c1cc(CN2CCC=C(C)C2)c(C)o1 ZINC000572941742 388393767 /nfs/dbraw/zinc/39/37/67/388393767.db2.gz ULDQTFYSAJPTME-UHFFFAOYSA-N 0 1 249.310 2.527 20 0 BFADMN Cc1cnc(CNCCCC(C)(C)C)o1 ZINC000300783050 388394305 /nfs/dbraw/zinc/39/43/05/388394305.db2.gz BLRVSGYIWAMHSB-UHFFFAOYSA-N 0 1 210.321 2.899 20 0 BFADMN Cc1sccc1CN[C@@H](C)c1cnn(C)c1C ZINC000294236410 388398368 /nfs/dbraw/zinc/39/83/68/388398368.db2.gz TUMTVNVAWOKZCC-VIFPVBQESA-N 0 1 249.383 2.949 20 0 BFADMN COCCN(Cc1ccccc1)CC1(F)CC1 ZINC000525977192 388440286 /nfs/dbraw/zinc/44/02/86/388440286.db2.gz GADVNQMKKNOLOK-UHFFFAOYSA-N 0 1 237.318 2.637 20 0 BFADMN FC(F)Oc1cccc(CNCC2(F)CC2)c1 ZINC000525985464 388450745 /nfs/dbraw/zinc/45/07/45/388450745.db2.gz QBYPFEJGASDKFH-UHFFFAOYSA-N 0 1 245.244 2.880 20 0 BFADMN CCN(C/C=C(/C)Cl)C[C@@H]1CCCO1 ZINC000528367405 388451430 /nfs/dbraw/zinc/45/14/30/388451430.db2.gz QRCITHMWOAXZJW-YAEJEKNGSA-N 0 1 217.740 2.630 20 0 BFADMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(Cl)s1 ZINC000335711577 388453496 /nfs/dbraw/zinc/45/34/96/388453496.db2.gz NTSJTXBWSITIMN-BDAKNGLRSA-N 0 1 245.775 2.604 20 0 BFADMN COC[C@H](CC(C)C)N[C@@H](C)c1nccs1 ZINC000309656193 388459555 /nfs/dbraw/zinc/45/95/55/388459555.db2.gz PWWARRRTTPHRLT-QWRGUYRKSA-N 0 1 242.388 2.855 20 0 BFADMN CC[C@@H](N[C@H](C(=O)OC)C(C)C)C(C)(C)C ZINC000309717508 388462162 /nfs/dbraw/zinc/46/21/62/388462162.db2.gz UOZBCNPWTUGIFX-MNOVXSKESA-N 0 1 229.364 2.598 20 0 BFADMN CCCc1csc(CN[C@@H](CC)COC)n1 ZINC000336678408 388462865 /nfs/dbraw/zinc/46/28/65/388462865.db2.gz BRNJQJANPSINOJ-JTQLQIEISA-N 0 1 242.388 2.610 20 0 BFADMN Cc1cc(CC(=O)Nc2ccc(C)cc2C)n[nH]1 ZINC000082322495 388463049 /nfs/dbraw/zinc/46/30/49/388463049.db2.gz MRYDZIQOIIYDJX-UHFFFAOYSA-N 0 1 243.310 2.516 20 0 BFADMN C[C@H](C(=O)[O-])[N@@H+](CCC(C)(C)C)C1CCC1 ZINC000515499825 256749245 /nfs/dbraw/zinc/74/92/45/256749245.db2.gz HLDOKSHNRPGKSR-SNVBAGLBSA-N 0 1 227.348 2.750 20 0 BFADMN CC/C=C\CC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000515660300 256753782 /nfs/dbraw/zinc/75/37/82/256753782.db2.gz VINPVGFNKQPVDH-GXMNPTEKSA-N 0 1 239.359 2.775 20 0 BFADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000648867068 388475039 /nfs/dbraw/zinc/47/50/39/388475039.db2.gz XFPSDRQHRFJSJH-NSHDSACASA-N 0 1 221.348 2.668 20 0 BFADMN Cc1nsc(NC[C@H]2CCCC2(C)C)n1 ZINC000338806088 388478569 /nfs/dbraw/zinc/47/85/69/388478569.db2.gz DQSNTZWHPQIJIQ-SECBINFHSA-N 0 1 225.361 2.507 20 0 BFADMN Cc1nocc1CN[C@H]1CCc2c1cccc2F ZINC000293719360 388422183 /nfs/dbraw/zinc/42/21/83/388422183.db2.gz YJKRCKAVCRETKI-AWEZNQCLSA-N 0 1 246.285 2.899 20 0 BFADMN CC(C)(C)[C@@H]1CCCN1Cc1nnc(C2CC2)o1 ZINC000525274959 388423410 /nfs/dbraw/zinc/42/34/10/388423410.db2.gz NDOQUJKFTCOUHT-NSHDSACASA-N 0 1 249.358 2.958 20 0 BFADMN Cc1cc(OCc2nc(C(C)C)no2)cc(C)n1 ZINC000548469976 388542198 /nfs/dbraw/zinc/54/21/98/388542198.db2.gz LNEXHAPUKMQTQK-UHFFFAOYSA-N 0 1 247.298 2.784 20 0 BFADMN CCN(CCC1CC1)CC(=O)c1cc(C)[nH]c1C ZINC000355035410 388545476 /nfs/dbraw/zinc/54/54/76/388545476.db2.gz MMERPVFDHGKKAL-UHFFFAOYSA-N 0 1 248.370 2.936 20 0 BFADMN C[C@@H](F)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000339485600 388484277 /nfs/dbraw/zinc/48/42/77/388484277.db2.gz QHAOWPPXBJYTCG-MRVPVSSYSA-N 0 1 231.698 2.883 20 0 BFADMN C[C@@H](Nc1cc2c(cn1)CCC2)C1CC1 ZINC000339551999 388485543 /nfs/dbraw/zinc/48/55/43/388485543.db2.gz APBDRSVPGANDOE-SECBINFHSA-N 0 1 202.301 2.781 20 0 BFADMN C[C@H]1CC[C@H](C)N1C(=O)c1[nH]nc2ccccc21 ZINC000135243390 388486555 /nfs/dbraw/zinc/48/65/55/388486555.db2.gz LEGZIGVPZCSNBO-UWVGGRQHSA-N 0 1 243.310 2.576 20 0 BFADMN C[C@@H](C(=O)[O-])[N@@H+](CC1(C)CCC1)C1CCC1 ZINC000516585621 256794738 /nfs/dbraw/zinc/79/47/38/256794738.db2.gz XIGLTAHQQCHARM-JTQLQIEISA-N 0 1 225.332 2.504 20 0 BFADMN CCC[C@H](CNCc1nc(C)c(C)s1)OC ZINC000378815888 388510797 /nfs/dbraw/zinc/51/07/97/388510797.db2.gz JZDNOKPFHHYGHY-LLVKDONJSA-N 0 1 242.388 2.665 20 0 BFADMN C[C@H](NCc1ncccn1)C1C(C)(C)C1(C)C ZINC000516938654 256807406 /nfs/dbraw/zinc/80/74/06/256807406.db2.gz VHBRVJPXLWNZET-JTQLQIEISA-N 0 1 233.359 2.637 20 0 BFADMN C/C(Cl)=C\CN[C@H](C)c1cccnc1 ZINC000528434194 388525234 /nfs/dbraw/zinc/52/52/34/388525234.db2.gz URZXNNOAUXXLDR-NAZIUFLLSA-N 0 1 210.708 2.875 20 0 BFADMN C/C(Cl)=C/CN1CCOCC2(CCC2)C1 ZINC000528453087 388528861 /nfs/dbraw/zinc/52/88/61/388528861.db2.gz YQKFXGOZTVFYFX-JYOAFUTRSA-N 0 1 229.751 2.632 20 0 BFADMN Cc1nsc(C)c1CN1[C@H](C)C[C@H]1C ZINC000517038367 388534909 /nfs/dbraw/zinc/53/49/09/388534909.db2.gz ZGYJORZDYUYQRG-HTQZYQBOSA-N 0 1 210.346 2.743 20 0 BFADMN CCc1ccc(CN2CC[C@H](OC(F)F)C2)o1 ZINC000549850059 388593330 /nfs/dbraw/zinc/59/33/30/388593330.db2.gz JXAQFBFLPCNHOD-NSHDSACASA-N 0 1 245.269 2.656 20 0 BFADMN CC[C@H](C)CN(CC)[C@H](C)c1nnc(C)o1 ZINC000245726459 388601420 /nfs/dbraw/zinc/60/14/20/388601420.db2.gz BPHRSTTXRRUELX-VHSXEESVSA-N 0 1 225.336 2.807 20 0 BFADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CC(C)(C)C1 ZINC000530166523 388618029 /nfs/dbraw/zinc/61/80/29/388618029.db2.gz PSVXXNLKUVSKOZ-JTQLQIEISA-N 0 1 227.348 2.608 20 0 BFADMN C[C@@H](C[N@@H+](CC1CC(C)(C)C1)C1CC1)C(=O)[O-] ZINC000530164966 388618169 /nfs/dbraw/zinc/61/81/69/388618169.db2.gz GBJWRFFJQZTYBZ-JTQLQIEISA-N 0 1 239.359 2.608 20 0 BFADMN CC(F)(F)CN[C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000550858113 388615344 /nfs/dbraw/zinc/61/53/44/388615344.db2.gz KBEDEIAADDCDRJ-IJLUTSLNSA-N 0 1 247.329 2.827 20 0 BFADMN CCCC[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000136894040 388551738 /nfs/dbraw/zinc/55/17/38/388551738.db2.gz QTVVCTDKFCYNIZ-VXGBXAGGSA-N 0 1 227.348 2.593 20 0 BFADMN 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/nfs/dbraw/zinc/25/07/39/585250739.db2.gz GVQNFDXDRBCIQK-QWHCGFSZSA-N 0 1 249.354 2.613 20 0 BFADMN C[C@H]1c2ccccc2CN1CC[C@H]1CCOC1=O ZINC000753847182 585271116 /nfs/dbraw/zinc/27/11/16/585271116.db2.gz PWACVHXGJSWUGL-RYUDHWBXSA-N 0 1 245.322 2.516 20 0 BFADMN CC[C@H](C)[C@H](C)NCc1nnc(C(C)(C)C)o1 ZINC000754166101 585279784 /nfs/dbraw/zinc/27/97/84/585279784.db2.gz GWMRQORCEPMCPL-UWVGGRQHSA-N 0 1 239.363 2.891 20 0 BFADMN CCCOC(=O)[C@H](C)N1CCCC[C@H]1CCC ZINC000755248417 585296932 /nfs/dbraw/zinc/29/69/32/585296932.db2.gz MOFZISIRZDKRLN-QWHCGFSZSA-N 0 1 241.375 2.983 20 0 BFADMN CCCOC(=O)[C@@H](C)N1CCCC[C@@H]1CCC ZINC000755248415 585297036 /nfs/dbraw/zinc/29/70/36/585297036.db2.gz MOFZISIRZDKRLN-OLZOCXBDSA-N 0 1 241.375 2.983 20 0 BFADMN Cc1nonc1CN(C)C1CCC(C)(C)CC1 ZINC000756029809 585313450 /nfs/dbraw/zinc/31/34/50/585313450.db2.gz USIWRIIGAWUGDI-UHFFFAOYSA-N 0 1 237.347 2.779 20 0 BFADMN C[C@@H]1CCN(Cc2ccc(F)nc2)CCS1 ZINC000756148337 585315260 /nfs/dbraw/zinc/31/52/60/585315260.db2.gz XOEQIFAZEYZUDA-SNVBAGLBSA-N 0 1 240.347 2.548 20 0 BFADMN CC[C@H](C)COC(=O)[C@@H](C)N1CCCCCC1 ZINC000756415417 585318541 /nfs/dbraw/zinc/31/85/41/585318541.db2.gz DCQAGDSIQIMPMN-QWHCGFSZSA-N 0 1 241.375 2.840 20 0 BFADMN CC[C@H](C)COC(=O)Cc1[nH]nc2ccccc21 ZINC000756386243 585318937 /nfs/dbraw/zinc/31/89/37/585318937.db2.gz FPDILMXQONREDF-JTQLQIEISA-N 0 1 246.310 2.695 20 0 BFADMN CC[C@@H](C)COC(=O)[C@H](C(C)C)N1CCCC1 ZINC000756421257 585319723 /nfs/dbraw/zinc/31/97/23/585319723.db2.gz ORPXSZIRQSHPGS-OLZOCXBDSA-N 0 1 241.375 2.696 20 0 BFADMN CC[C@H](C)COC(=O)[C@H](C(C)C)N1CCCC1 ZINC000756421260 585319784 /nfs/dbraw/zinc/31/97/84/585319784.db2.gz ORPXSZIRQSHPGS-STQMWFEESA-N 0 1 241.375 2.696 20 0 BFADMN CC[C@@H](C)COC(=O)[C@H](CC)N(CC)CC ZINC000756426469 585319790 /nfs/dbraw/zinc/31/97/90/585319790.db2.gz ZSRDHFUBQRXAQD-NEPJUHHUSA-N 0 1 229.364 2.696 20 0 BFADMN CC[C@H](C)COC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000756421258 585319799 /nfs/dbraw/zinc/31/97/99/585319799.db2.gz ORPXSZIRQSHPGS-QWHCGFSZSA-N 0 1 241.375 2.696 20 0 BFADMN CC/C=C/CCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757882035 585346366 /nfs/dbraw/zinc/34/63/66/585346366.db2.gz SJWQGJCESZWKLX-PGLGOXFNSA-N 0 1 248.326 2.729 20 0 BFADMN COCCN(CCF)[C@H](C)c1ccccc1C ZINC000759330904 585367087 /nfs/dbraw/zinc/36/70/87/585367087.db2.gz UVKQZOXBFTWGJO-CYBMUJFWSA-N 0 1 239.334 2.974 20 0 BFADMN CCCN(CCF)Cc1ccc(OC)cc1 ZINC000759330863 585367898 /nfs/dbraw/zinc/36/78/98/585367898.db2.gz UIPXXQWQZUBHQL-UHFFFAOYSA-N 0 1 225.307 2.877 20 0 BFADMN Oc1ccc(C2CCN(CCF)CC2)cc1 ZINC000759332335 585368196 /nfs/dbraw/zinc/36/81/96/585368196.db2.gz JWRULAYUQYVVQB-UHFFFAOYSA-N 0 1 223.291 2.541 20 0 BFADMN CCCCO[C@@H]1C[C@H](N(C)CCF)C1(C)C ZINC000759346685 585369954 /nfs/dbraw/zinc/36/99/54/585369954.db2.gz PBBHDVVMBFUTAO-NWDGAFQWSA-N 0 1 231.355 2.872 20 0 BFADMN CCCCO[C@@H]1C[C@@H](N(C)CCF)C1(C)C ZINC000759346687 585370051 /nfs/dbraw/zinc/37/00/51/585370051.db2.gz PBBHDVVMBFUTAO-VXGBXAGGSA-N 0 1 231.355 2.872 20 0 BFADMN FCCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000759373013 585371623 /nfs/dbraw/zinc/37/16/23/585371623.db2.gz NRCDGOPICJUBFW-NSHDSACASA-N 0 1 211.255 2.585 20 0 BFADMN Cc1cc(C(=O)N2CCC(CC(C)C)CC2)n[nH]1 ZINC000760941936 585402250 /nfs/dbraw/zinc/40/22/50/585402250.db2.gz UHPDDJVGGZNPDX-UHFFFAOYSA-N 0 1 249.358 2.616 20 0 BFADMN Cc1cc(C)c(CN2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000761068166 585404793 /nfs/dbraw/zinc/40/47/93/585404793.db2.gz GXKIEPOYEXRIOO-OAHLLOKOSA-N 0 1 246.398 2.748 20 0 BFADMN C[C@H](c1ccccc1F)N1CCN(C)[C@@H](C)C1 ZINC000761068777 585405573 /nfs/dbraw/zinc/40/55/73/585405573.db2.gz JPGTVCZBYRKJHW-NWDGAFQWSA-N 0 1 236.334 2.523 20 0 BFADMN c1ccc2sc(CN3CC[C@@H]4C[C@@H]43)nc2c1 ZINC000761090223 585408140 /nfs/dbraw/zinc/40/81/40/585408140.db2.gz JVKPFIMBTNDLPV-KOLCDFICSA-N 0 1 230.336 2.891 20 0 BFADMN FC(F)Oc1ccccc1CN1CC[C@H]2C[C@H]21 ZINC000761099857 585409215 /nfs/dbraw/zinc/40/92/15/585409215.db2.gz XNBXROUKKWSDPT-GXSJLCMTSA-N 0 1 239.265 2.882 20 0 BFADMN CC[C@H](C(=O)OCCC1(C)CC1)N(CC)CC ZINC000764228822 585461906 /nfs/dbraw/zinc/46/19/06/585461906.db2.gz REWFZPKXCUNHGN-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN CC[C@@H](C(=O)OCCC1(C)CC1)N(CC)CC ZINC000764228824 585461957 /nfs/dbraw/zinc/46/19/57/585461957.db2.gz REWFZPKXCUNHGN-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN COc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1Cl ZINC000764406593 585465076 /nfs/dbraw/zinc/46/50/76/585465076.db2.gz KJXUUVLJCRWPFF-PWSUYJOCSA-N 0 1 237.730 2.943 20 0 BFADMN CCc1cc(CN[C@H](C)c2cccc(F)c2)[nH]n1 ZINC000766000203 585495555 /nfs/dbraw/zinc/49/55/55/585495555.db2.gz DGBBENXIVIUIBO-SNVBAGLBSA-N 0 1 247.317 2.962 20 0 BFADMN CCc1cc(CN[C@H](C)c2cccc(F)c2)n[nH]1 ZINC000766000203 585495556 /nfs/dbraw/zinc/49/55/56/585495556.db2.gz DGBBENXIVIUIBO-SNVBAGLBSA-N 0 1 247.317 2.962 20 0 BFADMN Cc1ccc([C@@H](O)CN[C@H](C)c2ccoc2)o1 ZINC000766144258 585498236 /nfs/dbraw/zinc/49/82/36/585498236.db2.gz WMJKQARFGCBGRZ-PWSUYJOCSA-N 0 1 235.283 2.565 20 0 BFADMN CC/C=C\CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000767334333 585516784 /nfs/dbraw/zinc/51/67/84/585516784.db2.gz YMOLJVNPEZUEGT-VSQXVHSFSA-N 0 1 219.332 2.903 20 0 BFADMN Cc1cc(CN[C@@H](C)c2cn(C)nc2C)c(C)o1 ZINC000767354571 585517478 /nfs/dbraw/zinc/51/74/78/585517478.db2.gz STGRYJJLTJAUBA-JTQLQIEISA-N 0 1 247.342 2.789 20 0 BFADMN c1cc(CNC[C@@H]2C[C@@H]2c2ccccc2)no1 ZINC000767375755 585518551 /nfs/dbraw/zinc/51/85/51/585518551.db2.gz PORDKVBVTGJWPN-GXTWGEPZSA-N 0 1 228.295 2.568 20 0 BFADMN O=C(CC[N@H+]1CC[C@@H]1Cc1ccccc1)C1CC1 ZINC000767413635 585519475 /nfs/dbraw/zinc/51/94/75/585519475.db2.gz CTSSUOYYMUJBOA-OAHLLOKOSA-N 0 1 243.350 2.673 20 0 BFADMN CCOC(CN1CC[C@@H]1c1ccccc1)OCC ZINC000767791963 585526442 /nfs/dbraw/zinc/52/64/42/585526442.db2.gz HOQFVIZKDWVRES-CQSZACIVSA-N 0 1 249.354 2.833 20 0 BFADMN CCCC(N)=NOCCc1ccc(C)cc1 ZINC000767933001 585528430 /nfs/dbraw/zinc/52/84/30/585528430.db2.gz HLWQZTREJVAMRX-UHFFFAOYSA-N 0 1 220.316 2.836 20 0 BFADMN CCc1cc(CN[C@@H](C)c2cncc(C)c2)n[nH]1 ZINC000768223780 585534007 /nfs/dbraw/zinc/53/40/07/585534007.db2.gz OBMUSQUYTBMYOW-NSHDSACASA-N 0 1 244.342 2.526 20 0 BFADMN CCc1cc(CN[C@@H](C)c2cncc(C)c2)[nH]n1 ZINC000768223780 585534008 /nfs/dbraw/zinc/53/40/08/585534008.db2.gz OBMUSQUYTBMYOW-NSHDSACASA-N 0 1 244.342 2.526 20 0 BFADMN CCCCCCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000768840637 585544823 /nfs/dbraw/zinc/54/48/23/585544823.db2.gz GFKDPEWMJLAAEX-QWHCGFSZSA-N 0 1 240.391 2.508 20 0 BFADMN CCCCOC(=O)CN(CC1CCC1)C(C)C ZINC000769918856 585566474 /nfs/dbraw/zinc/56/64/74/585566474.db2.gz BYLQWOYDQYOFSD-UHFFFAOYSA-N 0 1 241.375 2.840 20 0 BFADMN CCC(N)=NOCc1cccc(F)c1Cl ZINC000771652397 585598471 /nfs/dbraw/zinc/59/84/71/585598471.db2.gz PQSTWBAKGCONPB-UHFFFAOYSA-N 0 1 230.670 2.888 20 0 BFADMN C[C@H](C(=O)OC1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000771978853 585605761 /nfs/dbraw/zinc/60/57/61/585605761.db2.gz PURMEBGHNIPWPM-IJLUTSLNSA-N 0 1 239.359 2.734 20 0 BFADMN CC(=O)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000772779363 585623381 /nfs/dbraw/zinc/62/33/81/585623381.db2.gz YYKXDXBRLFBEGC-NSHDSACASA-N 0 1 235.302 2.724 20 0 BFADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc[nH]1 ZINC000773119727 585631676 /nfs/dbraw/zinc/63/16/76/585631676.db2.gz PEKUIDQLSAOUNK-UWVGGRQHSA-N 0 1 233.290 2.961 20 0 BFADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(F)cn1 ZINC000773125389 585631949 /nfs/dbraw/zinc/63/19/49/585631949.db2.gz ZUVRZAZHUZUNHX-VHSXEESVSA-N 0 1 233.290 2.961 20 0 BFADMN CC(C)COC(=O)CN(C)C1CCC(C)CC1 ZINC000776574485 585700718 /nfs/dbraw/zinc/70/07/18/585700718.db2.gz HYPITPPTMLJXGR-UHFFFAOYSA-N 0 1 241.375 2.696 20 0 BFADMN CCCN(CC(=O)OCC(C)C)CC(C)C ZINC000776579870 585701110 /nfs/dbraw/zinc/70/11/10/585701110.db2.gz PAMXAJOVLRPPDO-UHFFFAOYSA-N 0 1 229.364 2.554 20 0 BFADMN CCC(N)=NOCc1ncc(Cl)cc1Cl ZINC000776834538 585705926 /nfs/dbraw/zinc/70/59/26/585705926.db2.gz JHPHLSRHLGXPNO-UHFFFAOYSA-N 0 1 248.113 2.797 20 0 BFADMN FCc1ccc(CSc2cn[nH]n2)cc1 ZINC000777535888 585714402 /nfs/dbraw/zinc/71/44/02/585714402.db2.gz WCYPUBQBJBNACB-UHFFFAOYSA-N 0 1 223.276 2.567 20 0 BFADMN FCc1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000777717219 585718725 /nfs/dbraw/zinc/71/87/25/585718725.db2.gz SEGIIGNLOLCLAY-UHFFFAOYSA-N 0 1 249.329 2.911 20 0 BFADMN Cl/C=C\CN1CCC[C@@H](OCC2CC2)C1 ZINC000778177906 585727188 /nfs/dbraw/zinc/72/71/88/585727188.db2.gz UJJWFBJYILRMQR-DBGMKRSLSA-N 0 1 229.751 2.630 20 0 BFADMN Cc1nonc1CN1CCC(C)(C(C)C)CC1 ZINC000778218667 585727929 /nfs/dbraw/zinc/72/79/29/585727929.db2.gz KMVIJNWGSRDUOW-UHFFFAOYSA-N 0 1 237.347 2.636 20 0 BFADMN C[C@H](c1nc2ccccc2o1)N1CC[C@H]2C[C@H]21 ZINC000778222270 585728034 /nfs/dbraw/zinc/72/80/34/585728034.db2.gz QOICDYWPWNPXQA-JFGNBEQYSA-N 0 1 228.295 2.983 20 0 BFADMN CCCCCOC(=O)C(C)(C)N1CCCC1 ZINC000805612040 585738366 /nfs/dbraw/zinc/73/83/66/585738366.db2.gz HXGIRSXQJZEBNY-UHFFFAOYSA-N 0 1 227.348 2.594 20 0 BFADMN CC[C@@H](C(=O)O[C@@H](C)C(C)C)N(CC)CC ZINC000778681357 585739140 /nfs/dbraw/zinc/73/91/40/585739140.db2.gz JFBROIFTVZXQDP-RYUDHWBXSA-N 0 1 229.364 2.695 20 0 BFADMN CC[C@@H](C(=O)OCC=C(C)C)N(CC)CC ZINC000778701798 585739654 /nfs/dbraw/zinc/73/96/54/585739654.db2.gz OLXHCGSYUSEAQX-LBPRGKRZSA-N 0 1 227.348 2.616 20 0 BFADMN c1cc(CN2CCC[C@@H](OCC3CC3)C2)co1 ZINC000779188496 585746566 /nfs/dbraw/zinc/74/65/66/585746566.db2.gz PXADFNJBOLXQRT-CQSZACIVSA-N 0 1 235.327 2.671 20 0 BFADMN Cc1cc(CC(=O)OCCCC(C)(C)C)n[nH]1 ZINC000781193238 585792648 /nfs/dbraw/zinc/79/26/48/585792648.db2.gz ZNLLPZOANKTKGJ-UHFFFAOYSA-N 0 1 238.331 2.630 20 0 BFADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000783258930 585832606 /nfs/dbraw/zinc/83/26/06/585832606.db2.gz QNHYTCCLAAUOIC-GXSJLCMTSA-N 0 1 230.315 2.525 20 0 BFADMN Cl/C=C\CN1CCC[C@H]1c1cccnc1 ZINC000805747515 585837029 /nfs/dbraw/zinc/83/70/29/585837029.db2.gz ZMFVNGGOMVOOHK-RYBZSIHZSA-N 0 1 222.719 2.971 20 0 BFADMN Cc1cc(CN2CCOCC3(CC3)C2)c(C)o1 ZINC000783595091 585837804 /nfs/dbraw/zinc/83/78/04/585837804.db2.gz NCJCFIAPQRLHMM-UHFFFAOYSA-N 0 1 235.327 2.509 20 0 BFADMN COc1ccnc(NCc2ccc(F)nc2C)c1 ZINC000784281086 585854365 /nfs/dbraw/zinc/85/43/65/585854365.db2.gz BRFCMTGGCKPCLE-UHFFFAOYSA-N 0 1 247.273 2.545 20 0 BFADMN CCCOC(=O)[C@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000784347330 585856270 /nfs/dbraw/zinc/85/62/70/585856270.db2.gz CTFSCUVWJROENL-RYUDHWBXSA-N 0 1 241.375 2.696 20 0 BFADMN Cc1[nH]nc2cc(NC(=O)[C@H](F)C(C)C)ccc12 ZINC000784460249 585860775 /nfs/dbraw/zinc/86/07/75/585860775.db2.gz BWVHKWJDKXUDKC-GFCCVEGCSA-N 0 1 249.289 2.804 20 0 BFADMN Cc1cncc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000785477564 585874719 /nfs/dbraw/zinc/87/47/19/585874719.db2.gz FUKDSJLUHUNYEE-LLVKDONJSA-N 0 1 244.260 2.774 20 0 BFADMN CC/C=C\CCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785745325 585879472 /nfs/dbraw/zinc/87/94/72/585879472.db2.gz SQBVASGGTCDSSE-QXXLOIIESA-N 0 1 239.359 2.759 20 0 BFADMN CC1(C)[C@@H](C(F)(F)F)CCN1CCF ZINC000787322767 585906771 /nfs/dbraw/zinc/90/67/71/585906771.db2.gz SPGGVDQSNGTCIX-ZETCQYMHSA-N 0 1 213.218 2.619 20 0 BFADMN CCCCCCN([C@@H](C)C(=O)OCC)C1CC1 ZINC000787362576 585907831 /nfs/dbraw/zinc/90/78/31/585907831.db2.gz SVIIBSNMSVLPCV-LBPRGKRZSA-N 0 1 241.375 2.983 20 0 BFADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](F)C(C)C ZINC000791055232 585973162 /nfs/dbraw/zinc/97/31/62/585973162.db2.gz KSQNTHLXZOKCPL-LBPRGKRZSA-N 0 1 249.289 2.804 20 0 BFADMN CCCCC[C@H](C)NC(=O)CN1[C@H](C)C[C@@H]1C ZINC000791568459 585984270 /nfs/dbraw/zinc/98/42/70/585984270.db2.gz WJOOVGZHDUKYSV-RWMBFGLXSA-N 0 1 240.391 2.554 20 0 BFADMN CCC[C@@H](C)OC(=O)c1ccc2cncn2c1 ZINC000792565830 586002714 /nfs/dbraw/zinc/00/27/14/586002714.db2.gz RSNMQHWIVRKRQM-SNVBAGLBSA-N 0 1 232.283 2.680 20 0 BFADMN CC1(OC(=O)c2ccc3cncn3c2)CCCC1 ZINC000793174797 586012924 /nfs/dbraw/zinc/01/29/24/586012924.db2.gz OXUFFYLUCUEVBA-UHFFFAOYSA-N 0 1 244.294 2.824 20 0 BFADMN Cc1ncc(CN2CC(C(C)C)C2)s1 ZINC000793189364 586013790 /nfs/dbraw/zinc/01/37/90/586013790.db2.gz MZLMFGQTDWLDNW-UHFFFAOYSA-N 0 1 210.346 2.539 20 0 BFADMN Cc1cc([C@@H](C)NCc2cccc(C)c2)n(C)n1 ZINC000793514319 586021265 /nfs/dbraw/zinc/02/12/65/586021265.db2.gz FOBNENVGTXORLR-CYBMUJFWSA-N 0 1 243.354 2.888 20 0 BFADMN Cc1cc([C@@H](C)NCc2ccccc2)n(C)n1 ZINC000793522095 586021731 /nfs/dbraw/zinc/02/17/31/586021731.db2.gz ZZZFOXNIBJLZBO-GFCCVEGCSA-N 0 1 229.327 2.579 20 0 BFADMN Cc1cc([C@@H](C)N[C@@H](C)c2cccnc2)n(C)n1 ZINC000793522022 586021736 /nfs/dbraw/zinc/02/17/36/586021736.db2.gz YXQNVZNKFRQELL-NWDGAFQWSA-N 0 1 244.342 2.535 20 0 BFADMN [O-]c1cccc2c(NCc3ccon3)cc[nH+]c12 ZINC000795104043 586068277 /nfs/dbraw/zinc/06/82/77/586068277.db2.gz JIHNLCLTPCADFZ-UHFFFAOYSA-N 0 1 241.250 2.541 20 0 BFADMN CC(C)(NCc1c[nH]cn1)c1ccc(F)cc1 ZINC000796448026 586103413 /nfs/dbraw/zinc/10/34/13/586103413.db2.gz OQHNBJQWAAKOAF-UHFFFAOYSA-N 0 1 233.290 2.574 20 0 BFADMN Cc1nc(F)ccc1CN1CC(C)=C[C@@H](C)C1 ZINC000797605343 586129552 /nfs/dbraw/zinc/12/95/52/586129552.db2.gz PJYWAWRFUZSKKZ-SNVBAGLBSA-N 0 1 234.318 2.927 20 0 BFADMN CCc1cc(CN[C@@H](C)c2cccc(O)c2)n[nH]1 ZINC000799717198 586194340 /nfs/dbraw/zinc/19/43/40/586194340.db2.gz KWOLBGAGNCIKJG-JTQLQIEISA-N 0 1 245.326 2.529 20 0 BFADMN CCc1cc(CN[C@@H](C)c2cccc(O)c2)[nH]n1 ZINC000799717198 586194341 /nfs/dbraw/zinc/19/43/41/586194341.db2.gz KWOLBGAGNCIKJG-JTQLQIEISA-N 0 1 245.326 2.529 20 0 BFADMN CCc1nnc(SCCSC(C)C)[nH]1 ZINC000800833187 586233376 /nfs/dbraw/zinc/23/33/76/586233376.db2.gz XJZPNAUQFOGELJ-UHFFFAOYSA-N 0 1 231.390 2.601 20 0 BFADMN CCc1n[nH]c(SCCSC(C)C)n1 ZINC000800833187 586233379 /nfs/dbraw/zinc/23/33/79/586233379.db2.gz XJZPNAUQFOGELJ-UHFFFAOYSA-N 0 1 231.390 2.601 20 0 BFADMN CC(C)[C@H]1CN(CCSC(C)(C)C)CCO1 ZINC000801938946 586280489 /nfs/dbraw/zinc/28/04/89/586280489.db2.gz LJEMUMHSAXDEJH-GFCCVEGCSA-N 0 1 245.432 2.875 20 0 BFADMN CC(C)[C@@H](C(=O)OCC1CC(C)(C)C1)N(C)C ZINC000802292661 586302582 /nfs/dbraw/zinc/30/25/82/586302582.db2.gz ILOIKLTYGAXRRA-LBPRGKRZSA-N 0 1 241.375 2.552 20 0 BFADMN O=C(OCCCCF)c1ccc(O)c(Cl)c1 ZINC000803225185 586338711 /nfs/dbraw/zinc/33/87/11/586338711.db2.gz RHDAHRZLFHOYSR-UHFFFAOYSA-N 0 1 246.665 2.952 20 0 BFADMN C[C@@H](C(=O)OCCCCF)N1[C@H](C)CC[C@H]1C ZINC000803362250 586347629 /nfs/dbraw/zinc/34/76/29/586347629.db2.gz YVGMFHOPELPLFL-UTUOFQBUSA-N 0 1 245.338 2.541 20 0 BFADMN S=c1ncccn1CN1CCC[C@H](C2CC2)C1 ZINC000808229773 586468015 /nfs/dbraw/zinc/46/80/15/586468015.db2.gz DKRLYQGAIJUXHD-LBPRGKRZSA-N 0 1 249.383 2.692 20 0 BFADMN CCCC[C@H](CC)CCNCc1cnn(C)n1 ZINC000808417252 586471977 /nfs/dbraw/zinc/47/19/77/586471977.db2.gz GCTSFIMEFLTOTL-LBPRGKRZSA-N 0 1 238.379 2.511 20 0 BFADMN CC(C)C(=O)CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000808725796 586484648 /nfs/dbraw/zinc/48/46/48/586484648.db2.gz FNVUXAMKHBNSGX-LBPRGKRZSA-N 0 1 235.327 2.684 20 0 BFADMN CCc1cc(CNC(=O)CC2(C)CCCC2)n[nH]1 ZINC000809678457 586511732 /nfs/dbraw/zinc/51/17/32/586511732.db2.gz BVCPNILEQNYIJR-UHFFFAOYSA-N 0 1 249.358 2.559 20 0 BFADMN Cc1nonc1CNCCC1CCCCCC1 ZINC000809745415 586516781 /nfs/dbraw/zinc/51/67/81/586516781.db2.gz SVGUQQGJRKYVGB-UHFFFAOYSA-N 0 1 237.347 2.828 20 0 BFADMN Cc1ncccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000809967430 586527310 /nfs/dbraw/zinc/52/73/10/586527310.db2.gz ANHXMVROPQDIFF-LLVKDONJSA-N 0 1 244.260 2.774 20 0 BFADMN Fc1ccccc1C1CN(C[C@H]2CCC=CO2)C1 ZINC000812790596 586584843 /nfs/dbraw/zinc/58/48/43/586584843.db2.gz ZRTARKVPZMIFFS-CYBMUJFWSA-N 0 1 247.313 2.918 20 0 BFADMN Cc1ccccc1C(C)(C)C(=O)NOC1CCC1 ZINC000812796152 586586238 /nfs/dbraw/zinc/58/62/38/586586238.db2.gz SRKOUKUVOYBWCQ-UHFFFAOYSA-N 0 1 247.338 2.873 20 0 BFADMN CCC(CC)CC(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840290181 586602300 /nfs/dbraw/zinc/60/23/00/586602300.db2.gz AEHMXNLBOQLQKR-MRVPVSSYSA-N 0 1 239.319 2.544 20 0 BFADMN Cc1nc(CSC(C)(C)C(C)C)n[nH]1 ZINC000813575947 586603593 /nfs/dbraw/zinc/60/35/93/586603593.db2.gz FBFGMDBSSLQIQD-UHFFFAOYSA-N 0 1 213.350 2.781 20 0 BFADMN CSCSc1nc(-c2ccccc2)n[nH]1 ZINC000814725864 586630631 /nfs/dbraw/zinc/63/06/31/586630631.db2.gz FIIDZLYQPPKVPV-UHFFFAOYSA-N 0 1 237.353 2.884 20 0 BFADMN Cc1cc(F)ccc1[C@H](C)NCc1ccnn1C ZINC000815558443 586687727 /nfs/dbraw/zinc/68/77/27/586687727.db2.gz DAQAQOUYUSJBEO-NSHDSACASA-N 0 1 247.317 2.718 20 0 BFADMN C[C@@H]1CCCN(Cc2cnn(C)c2Cl)[C@H]1C ZINC000816499770 586736964 /nfs/dbraw/zinc/73/69/64/586736964.db2.gz ZRBCZIDHVRWHIE-ZJUUUORDSA-N 0 1 241.766 2.694 20 0 BFADMN COc1cccc(CN2C[C@@H](C)[C@@H]2C)c1F ZINC000816647355 586749000 /nfs/dbraw/zinc/74/90/00/586749000.db2.gz RFPRVQBMABCWFB-ZJUUUORDSA-N 0 1 223.291 2.675 20 0 BFADMN Cc1nn(C(C)C)cc1CN1C[C@H](C)[C@H]1C ZINC000816648972 586751348 /nfs/dbraw/zinc/75/13/48/586751348.db2.gz RIQWTQXQBBTLCA-CMPLNLGQSA-N 0 1 221.348 2.613 20 0 BFADMN C[C@@H]1[C@@H](C)CN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000816648558 586751633 /nfs/dbraw/zinc/75/16/33/586751633.db2.gz MDYASKNEKRYSDM-NWDGAFQWSA-N 0 1 241.338 2.917 20 0 BFADMN Cc1c(Cl)c(CNCCC2CCC2)nn1C ZINC000817408143 586801105 /nfs/dbraw/zinc/80/11/05/586801105.db2.gz FEDHIDRLKLWKDZ-UHFFFAOYSA-N 0 1 241.766 2.662 20 0 BFADMN NCC(F)(F)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817966733 586854904 /nfs/dbraw/zinc/85/49/04/586854904.db2.gz UQNBSXMAMYBRFQ-GRYCIOLGSA-N 0 1 246.345 2.529 20 0 BFADMN CCOC[C@H](C)NCc1c(F)cc(C)cc1F ZINC000818186790 586878736 /nfs/dbraw/zinc/87/87/36/586878736.db2.gz NUNKWIRRNLCCIA-JTQLQIEISA-N 0 1 243.297 2.788 20 0 BFADMN CCCCCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818626138 586908183 /nfs/dbraw/zinc/90/81/83/586908183.db2.gz KRHTYAQQAVILOK-BETUJISGSA-N 0 1 240.391 2.508 20 0 BFADMN CC(C)n1cncc1CNc1nccn1C1CC1 ZINC000819146727 586933125 /nfs/dbraw/zinc/93/31/25/586933125.db2.gz JOEHIPFATAJUEL-UHFFFAOYSA-N 0 1 245.330 2.608 20 0 BFADMN C[C@@H]1C[N@@H+](CCCCC(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000820251680 587038150 /nfs/dbraw/zinc/03/81/50/587038150.db2.gz DEPZOYFFBQOZNE-UPJWGTAASA-N 0 1 239.359 2.752 20 0 BFADMN C[C@@H]1C[N@@H+](CCCCC(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000820251679 587038557 /nfs/dbraw/zinc/03/85/57/587038557.db2.gz DEPZOYFFBQOZNE-JHJVBQTASA-N 0 1 239.359 2.752 20 0 BFADMN C[C@H]1c2ccccc2C[N@@H+]1CCCCC(=O)[O-] ZINC000820257001 587039086 /nfs/dbraw/zinc/03/90/86/587039086.db2.gz QRTIGXVYELVSGR-NSHDSACASA-N 0 1 233.311 2.818 20 0 BFADMN C/C=C\C[C@H]1CCCN(Cc2nccc(C)n2)C1 ZINC000860184331 589087877 /nfs/dbraw/zinc/08/78/77/589087877.db2.gz YXDOMZGFDUDYAJ-NQHOJNORSA-N 0 1 245.370 2.963 20 0 BFADMN CCc1cc(NC(=O)CN2CCCC2)ccc1C ZINC000821767007 587137720 /nfs/dbraw/zinc/13/77/20/587137720.db2.gz WNGJOZUPBWNWKZ-UHFFFAOYSA-N 0 1 246.354 2.592 20 0 BFADMN CC[C@@H]1C[C@H](C)CN1Cc1cc(F)ncc1F ZINC000823458611 587223682 /nfs/dbraw/zinc/22/36/82/587223682.db2.gz ATQQVZFKEPIKEM-GXSJLCMTSA-N 0 1 240.297 2.980 20 0 BFADMN Cn1nc(C2CC2)cc1CNCc1ccccc1 ZINC000823585392 587232118 /nfs/dbraw/zinc/23/21/18/587232118.db2.gz XNNFSUCELXKGQP-UHFFFAOYSA-N 0 1 241.338 2.587 20 0 BFADMN CN(C(=O)c1cc(F)cc(F)c1O)C(C)(C)C ZINC000823659080 587235221 /nfs/dbraw/zinc/23/52/21/587235221.db2.gz LFWQFMZJVYYADH-UHFFFAOYSA-N 0 1 243.253 2.541 20 0 BFADMN O=C(NC1(C2CCC2)CC1)c1cccc(F)c1O ZINC000823986399 587247913 /nfs/dbraw/zinc/24/79/13/587247913.db2.gz LPXKIEPJTGSNAP-UHFFFAOYSA-N 0 1 249.285 2.594 20 0 BFADMN CCC[C@H](CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824045810 587251467 /nfs/dbraw/zinc/25/14/67/587251467.db2.gz GBGABLUVCNWWRZ-NSHDSACASA-N 0 1 237.347 2.503 20 0 BFADMN CCCCCCC(=O)N(C)Cc1cn[nH]c1C ZINC000824051402 587251800 /nfs/dbraw/zinc/25/18/00/587251800.db2.gz UXGFPCCQUCEGOH-UHFFFAOYSA-N 0 1 237.347 2.647 20 0 BFADMN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824055791 587252266 /nfs/dbraw/zinc/25/22/66/587252266.db2.gz DDTJIMSOOBGEEI-JXMROGBWSA-N 0 1 249.358 2.669 20 0 BFADMN O=C(NC1CC2(CCC2)C1)c1cccc(F)c1O ZINC000824102553 587255583 /nfs/dbraw/zinc/25/55/83/587255583.db2.gz REGSTZCTVVUBIC-UHFFFAOYSA-N 0 1 249.285 2.594 20 0 BFADMN C[C@@]1(F)CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000824471558 587271347 /nfs/dbraw/zinc/27/13/47/587271347.db2.gz FDWPAMIAUNNUIL-CQSZACIVSA-N 0 1 247.317 2.887 20 0 BFADMN CC[C@@H](Cc1cccs1)NC(CF)CF ZINC000824554649 587273883 /nfs/dbraw/zinc/27/38/83/587273883.db2.gz JOGRAVCFBLLBNY-VIFPVBQESA-N 0 1 233.327 2.966 20 0 BFADMN c1ccc2ncc(CN3CC4(CC4)C3)cc2c1 ZINC000824533970 587274328 /nfs/dbraw/zinc/27/43/28/587274328.db2.gz VFMLOTCHPXCZCB-UHFFFAOYSA-N 0 1 224.307 2.831 20 0 BFADMN CCN(Cc1cc(C(F)(F)F)nn1C)C(C)C ZINC000824549141 587275473 /nfs/dbraw/zinc/27/54/73/587275473.db2.gz XEVKVMLKSBOQGB-UHFFFAOYSA-N 0 1 249.280 2.669 20 0 BFADMN Cc1nc(F)ccc1CN1CC[C@H]1C1CC1 ZINC000824651077 587280731 /nfs/dbraw/zinc/28/07/31/587280731.db2.gz VGEHIRYXAATORA-LBPRGKRZSA-N 0 1 220.291 2.513 20 0 BFADMN CC/C=C/CNCc1c(Cl)nc(Cl)n1C ZINC000824702631 587283213 /nfs/dbraw/zinc/28/32/13/587283213.db2.gz PNZCPJMIPTWQBP-SNAWJCMRSA-N 0 1 248.157 2.783 20 0 BFADMN CCc1nc(CN[C@@H](C)CC(C)C)co1 ZINC000825057490 587301201 /nfs/dbraw/zinc/30/12/01/587301201.db2.gz PHTFGRRLDKPUCU-JTQLQIEISA-N 0 1 210.321 2.761 20 0 BFADMN C/C(=C\C[N@H+](C)C[C@H](C)c1ccccc1)C(=O)[O-] ZINC000825730374 587333933 /nfs/dbraw/zinc/33/39/33/587333933.db2.gz VUXOCFVOOYQWNQ-SRXBQZRASA-N 0 1 247.338 2.753 20 0 BFADMN C/C(=C\C[N@H+](C)[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000825729557 587334414 /nfs/dbraw/zinc/33/44/14/587334414.db2.gz GQEDZJSXRGMURS-MARXPDLDSA-N 0 1 245.322 2.637 20 0 BFADMN C/C(=C\C[N@@H+]1CCC[C@@H](CC(C)C)C1)C(=O)[O-] ZINC000825734641 587334943 /nfs/dbraw/zinc/33/49/43/587334943.db2.gz JZXPRIFUJTUIMB-UWUHSAQLSA-N 0 1 239.359 2.775 20 0 BFADMN COc1cncc(CN2CC(C)(C)[C@H]2C2CC2)c1 ZINC000825948580 587346786 /nfs/dbraw/zinc/34/67/86/587346786.db2.gz FAESLAPAGDOSDT-CQSZACIVSA-N 0 1 246.354 2.711 20 0 BFADMN COc1cncc(CN2CC(C)(C)[C@H]2C(C)C)c1 ZINC000826003737 587348230 /nfs/dbraw/zinc/34/82/30/587348230.db2.gz VGBMSLWYPHXJDU-CQSZACIVSA-N 0 1 248.370 2.957 20 0 BFADMN COc1cc(CN2CC[C@@H]3C[C@@H]32)ccc1Cl ZINC000828534104 587448889 /nfs/dbraw/zinc/44/88/89/587448889.db2.gz ZTYHSNHXSQPWHD-PWSUYJOCSA-N 0 1 237.730 2.943 20 0 BFADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000829207721 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589480969 /nfs/dbraw/zinc/48/09/69/589480969.db2.gz VLHOOSMQZIYMIP-WCQYABFASA-N 0 1 223.291 2.848 20 0 BFADMN C[C@@H]1C[C@@H]1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866243269 589482457 /nfs/dbraw/zinc/48/24/57/589482457.db2.gz PKUHDVDARBDWSD-BGOOENEXSA-N 0 1 235.302 2.704 20 0 BFADMN F[C@H]1COc2ccccc2[C@H]1NCCC1CC1 ZINC000866304255 589485227 /nfs/dbraw/zinc/48/52/27/589485227.db2.gz WLQXLSGOWRMKHJ-GXTWGEPZSA-N 0 1 235.302 2.848 20 0 BFADMN C[C@@H]1CC[C@@H]1N[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866360066 589488000 /nfs/dbraw/zinc/48/80/00/589488000.db2.gz XCGVVEJQMQOYIJ-GASQSECBSA-N 0 1 235.302 2.846 20 0 BFADMN CCC(F)(F)CN[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866397986 589489477 /nfs/dbraw/zinc/48/94/77/589489477.db2.gz KAWVPQDSVASOCN-RYUDHWBXSA-N 0 1 247.329 2.969 20 0 BFADMN Cc1cncc([C@H](C)NCc2ccnc(F)c2)c1 ZINC000866472640 589494786 /nfs/dbraw/zinc/49/47/86/589494786.db2.gz CIZHOBMZVJFUDH-NSHDSACASA-N 0 1 245.301 2.775 20 0 BFADMN CS[C@H]1C[C@H](N[C@@H](C)c2cscn2)C1 ZINC000866487106 589495170 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FDCJOYVSQSWRAH-VHSXEESVSA-N 0 1 244.335 2.522 20 0 BFADMN Cc1nc(F)ccc1CN1CCC(C)(F)CC1 ZINC000877700194 590394031 /nfs/dbraw/zinc/39/40/31/590394031.db2.gz HWNOEHRKBYVNOJ-UHFFFAOYSA-N 0 1 240.297 2.853 20 0 BFADMN CCOCOc1ccc(CN2CC(C)(C)C2)cc1 ZINC000877717636 590399808 /nfs/dbraw/zinc/39/98/08/590399808.db2.gz NJLRKNSAWIMTAV-UHFFFAOYSA-N 0 1 249.354 2.901 20 0 BFADMN CC(C)(C)c1ccc(CNC2CSC2)o1 ZINC000877735397 590403481 /nfs/dbraw/zinc/40/34/81/590403481.db2.gz STIHLIICGXVYEK-UHFFFAOYSA-N 0 1 225.357 2.782 20 0 BFADMN C[C@@H]1CCC[C@@H](C2CN(Cc3ccnn3C)C2)C1 ZINC000877764254 590419950 /nfs/dbraw/zinc/41/99/50/590419950.db2.gz YGZJAKJBXQGIBG-CHWSQXEVSA-N 0 1 247.386 2.678 20 0 BFADMN C[C@]1(C(F)(F)F)CCN(Cc2ccncc2)C1 ZINC000877815006 590427160 /nfs/dbraw/zinc/42/71/60/590427160.db2.gz ZPYMOZRAYBWVQG-NSHDSACASA-N 0 1 244.260 2.856 20 0 BFADMN CC1CC(COc2ccccc2-c2nnc[nH]2)C1 ZINC000877878918 590436563 /nfs/dbraw/zinc/43/65/63/590436563.db2.gz HWWJGKQMTDQICU-UHFFFAOYSA-N 0 1 243.310 2.897 20 0 BFADMN C[C@@H]1CN(CCCSC(C)(C)C)CCO1 ZINC000877895981 590441876 /nfs/dbraw/zinc/44/18/76/590441876.db2.gz NJZHDTOCLAWITN-LLVKDONJSA-N 0 1 231.405 2.629 20 0 BFADMN CC1(C)CN(CC[C@H]2CCCC2(F)F)CCO1 ZINC000877897410 590441965 /nfs/dbraw/zinc/44/19/65/590441965.db2.gz JWAWNMOIEBCFNE-LLVKDONJSA-N 0 1 247.329 2.923 20 0 BFADMN C[N@H+](Cc1ccco1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877905855 590444521 /nfs/dbraw/zinc/44/45/21/590444521.db2.gz COWWDWZSUWMGNT-KWCYVHTRSA-N 0 1 235.327 2.669 20 0 BFADMN CN(Cc1ccco1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877905855 590444522 /nfs/dbraw/zinc/44/45/22/590444522.db2.gz COWWDWZSUWMGNT-KWCYVHTRSA-N 0 1 235.327 2.669 20 0 BFADMN C=C/C=C\CCN1CCn2cccc2[C@@H]1C ZINC000877923878 590448571 /nfs/dbraw/zinc/44/85/71/590448571.db2.gz ZIGXUCOQKOOCLD-ZFDPJTLLSA-N 0 1 216.328 2.997 20 0 BFADMN CN(Cc1ccoc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877988434 590466915 /nfs/dbraw/zinc/46/69/15/590466915.db2.gz HOUIONMUXDQAOD-IHRRRGAJSA-N 0 1 235.327 2.669 20 0 BFADMN Cc1conc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000877992120 590468051 /nfs/dbraw/zinc/46/80/51/590468051.db2.gz GYQAURGFKURJRP-UHFFFAOYSA-N 0 1 242.322 2.582 20 0 BFADMN Cc1conc1CN(C)C1Cc2ccccc2C1 ZINC000877992120 590468052 /nfs/dbraw/zinc/46/80/52/590468052.db2.gz GYQAURGFKURJRP-UHFFFAOYSA-N 0 1 242.322 2.582 20 0 BFADMN CN(CC[C@H]1CCCC1(F)F)Cc1cc[nH]n1 ZINC000878097689 590492918 /nfs/dbraw/zinc/49/29/18/590492918.db2.gz LKMCQCPSSCLMIT-SNVBAGLBSA-N 0 1 243.301 2.667 20 0 BFADMN Cc1conc1CN1CC[C@@H](CC(C)C)C1 ZINC000878152790 590508289 /nfs/dbraw/zinc/50/82/89/590508289.db2.gz FRFOYCIEFRQRGA-LBPRGKRZSA-N 0 1 222.332 2.851 20 0 BFADMN C[C@H]1CN(Cc2nc(C3CCC3)no2)C(C)(C)C1 ZINC000878158844 590510044 /nfs/dbraw/zinc/51/00/44/590510044.db2.gz PZBNQTKYHUBJCA-SNVBAGLBSA-N 0 1 249.358 2.958 20 0 BFADMN Cc1conc1CN(CC1CC1)C(C)C ZINC000878209651 590525028 /nfs/dbraw/zinc/52/50/28/590525028.db2.gz JCQCOWKKYJXVDM-UHFFFAOYSA-N 0 1 208.305 2.603 20 0 BFADMN CCC(C)(C)N(C)Cc1nccn1CC(F)F ZINC000878245728 590527965 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CC1(C)CCC(=Nc2cn[nH]c(=O)c2)CC1 ZINC001210167413 969819086 /nfs/dbraw/zinc/81/90/86/969819086.db2.gz QAIQWJGFEFHMOH-UHFFFAOYSA-N 0 1 219.288 2.688 20 0 BFADMN CC(=O)[C@@H](NC1CCSCC1)c1ccccc1 ZINC001255080940 969875490 /nfs/dbraw/zinc/87/54/90/969875490.db2.gz ISSMGGGUPDUOSO-CQSZACIVSA-N 0 1 249.379 2.802 20 0 BFADMN COC(C)(C)CNc1ccc(C)c(C)n1 ZINC001156439985 969894589 /nfs/dbraw/zinc/89/45/89/969894589.db2.gz VSTYMZDXUROFLT-UHFFFAOYSA-N 0 1 208.305 2.535 20 0 BFADMN CC(=O)c1ccc(-c2cccc3nc[nH]c32)cn1 ZINC001242399743 969915996 /nfs/dbraw/zinc/91/59/96/969915996.db2.gz RHYWZFIOKIPJGV-UHFFFAOYSA-N 0 1 237.262 2.828 20 0 BFADMN Cc1cnc(N[C@@H](C)c2ccc(F)cn2)c(N)c1 ZINC001156679722 969977810 /nfs/dbraw/zinc/97/78/10/969977810.db2.gz REGDVUJBZDWLGC-VIFPVBQESA-N 0 1 246.289 2.679 20 0 BFADMN C(C1CC1)N1CCC[C@H]1c1nnc(C2CCC2)o1 ZINC001255202052 970002882 /nfs/dbraw/zinc/00/28/82/970002882.db2.gz ODSHASNXMZWLCM-LBPRGKRZSA-N 0 1 247.342 2.884 20 0 BFADMN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccoc1 ZINC000770312004 970006239 /nfs/dbraw/zinc/00/62/39/970006239.db2.gz GOEGUXUNUHUVJU-CQSZACIVSA-N 0 1 245.326 2.659 20 0 BFADMN Cc1nc2cccc(-c3cnoc3C)c2[nH]1 ZINC001242602242 970009923 /nfs/dbraw/zinc/00/99/23/970009923.db2.gz CWMYBXIYOIVAQP-UHFFFAOYSA-N 0 1 213.240 2.835 20 0 BFADMN Cc1cc(C)nc(N2CC3CC(C3)C2)c1 ZINC001156887731 970021350 /nfs/dbraw/zinc/02/13/50/970021350.db2.gz LQYRFMKSSNOVFE-UHFFFAOYSA-N 0 1 202.301 2.545 20 0 BFADMN CCC(C)=Nc1ccnc(Cl)c1C(=O)OC ZINC001210792074 970031342 /nfs/dbraw/zinc/03/13/42/970031342.db2.gz FQAZGJTVBSAURL-QPJJXVBHSA-N 0 1 240.690 2.857 20 0 BFADMN CC(C)c1n[nH]c(NC(=O)C[C@@H]2C=CCCC2)n1 ZINC001255281633 970032170 /nfs/dbraw/zinc/03/21/70/970032170.db2.gz ZYPOEWPYIQJJLM-SNVBAGLBSA-N 0 1 248.330 2.613 20 0 BFADMN CC(C)c1nc(NC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC001255281633 970032179 /nfs/dbraw/zinc/03/21/79/970032179.db2.gz ZYPOEWPYIQJJLM-SNVBAGLBSA-N 0 1 248.330 2.613 20 0 BFADMN CCC(C)=Nc1cc(S(C)(=O)=O)ccc1F ZINC001210794318 970034884 /nfs/dbraw/zinc/03/48/84/970034884.db2.gz GKCWDPKJAJJAPL-XBXARRHUSA-N 0 1 243.303 2.565 20 0 BFADMN Cc1cnc(CN)n1C1CCC(C)(C)CC1 ZINC001255297796 970061722 /nfs/dbraw/zinc/06/17/22/970061722.db2.gz IOSDMSWXVKKPKO-UHFFFAOYSA-N 0 1 221.348 2.792 20 0 BFADMN Oc1c(Cl)cc(Nc2nnco2)cc1Cl ZINC001210923634 970074443 /nfs/dbraw/zinc/07/44/43/970074443.db2.gz XAWGVXXZVXCKIP-UHFFFAOYSA-N 0 1 246.053 2.826 20 0 BFADMN CC(C)CCC[C@H](C)n1ccnc1CN ZINC001170057561 970101764 /nfs/dbraw/zinc/10/17/64/970101764.db2.gz LZWIUEYDKDSPFY-NSHDSACASA-N 0 1 209.337 2.729 20 0 BFADMN CCCC[C@@H](C)N1C[C@@H](F)C[C@H]1CF ZINC001255323534 970104732 /nfs/dbraw/zinc/10/47/32/970104732.db2.gz SIIWKXLQWQKEEU-VWYCJHECSA-N 0 1 205.292 2.947 20 0 BFADMN Cc1ncc(Cl)cc1Nc1cncn1C ZINC001211246554 970192703 /nfs/dbraw/zinc/19/27/03/970192703.db2.gz DMGHRTSIKIVXIB-UHFFFAOYSA-N 0 1 222.679 2.521 20 0 BFADMN Cn1cncc1Nc1cc(C(C)(C)C)ns1 ZINC001211247117 970193325 /nfs/dbraw/zinc/19/33/25/970193325.db2.gz IZROZEMVEHXZMA-UHFFFAOYSA-N 0 1 236.344 2.918 20 0 BFADMN Cn1cncc1Nc1nc(Cl)ccc1Cl ZINC001211247149 970194442 /nfs/dbraw/zinc/19/44/42/970194442.db2.gz KPZAJTWFMIZJOJ-UHFFFAOYSA-N 0 1 243.097 2.866 20 0 BFADMN Cn1cncc1Nc1ccc2c(c1)N=NC2 ZINC001211253916 970200623 /nfs/dbraw/zinc/20/06/23/970200623.db2.gz NNLIJJUVWWUNSM-UHFFFAOYSA-N 0 1 213.244 2.761 20 0 BFADMN COc1cnccc1Nc1cncc(C2CC2)c1 ZINC001211260146 970202290 /nfs/dbraw/zinc/20/22/90/970202290.db2.gz ULQFSMIRQUGVNA-UHFFFAOYSA-N 0 1 241.294 2.528 20 0 BFADMN COc1cnccc1Nc1ccccc1SC ZINC001211259456 970205062 /nfs/dbraw/zinc/20/50/62/970205062.db2.gz AHCNNIDFXQZJCF-UHFFFAOYSA-N 0 1 246.335 2.978 20 0 BFADMN COc1cnccc1Nc1ncccc1C(C)C ZINC001211262226 970213913 /nfs/dbraw/zinc/21/39/13/970213913.db2.gz CSYRBRJVBGMGAL-UHFFFAOYSA-N 0 1 243.310 2.774 20 0 BFADMN COc1cnccc1-n1ccc2cccc(N)c21 ZINC001211266104 970218490 /nfs/dbraw/zinc/21/84/90/970218490.db2.gz ZJEZICCTUFQFEM-UHFFFAOYSA-N 0 1 239.278 2.616 20 0 BFADMN [NH3+]CCc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352203 970248111 /nfs/dbraw/zinc/24/81/11/970248111.db2.gz IUCYXINVDPRCLI-UHFFFAOYSA-N 0 1 249.260 2.839 20 0 BFADMN C[C@H]1CC[C@@H](NC2(c3ccc(F)cc3)COC2)C1 ZINC001170116632 970335021 /nfs/dbraw/zinc/33/50/21/970335021.db2.gz FKLBQXZGGTUZIH-SMDDNHRTSA-N 0 1 249.329 2.829 20 0 BFADMN Cn1cncc1Nc1ccccc1N1CCCC1 ZINC001213603948 970365440 /nfs/dbraw/zinc/36/54/40/970365440.db2.gz HMKRJNONJDCCSQ-UHFFFAOYSA-N 0 1 242.326 2.764 20 0 BFADMN Cc1cc2cc(Nc3cncn3C)ccc2[nH]1 ZINC001213787378 970381500 /nfs/dbraw/zinc/38/15/00/970381500.db2.gz XSHRJJPZINRSDH-UHFFFAOYSA-N 0 1 226.283 2.953 20 0 BFADMN Nc1cncn1-c1ccc2sccc2c1 ZINC001213928135 970399558 /nfs/dbraw/zinc/39/95/58/970399558.db2.gz FLAPRZABPIZGGA-UHFFFAOYSA-N 0 1 215.281 2.669 20 0 BFADMN C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@H](F)C2)C1 ZINC001170133723 970399907 /nfs/dbraw/zinc/39/99/07/970399907.db2.gz SHMKVQXFBBRHRC-OPRDCNLKSA-N 0 1 221.266 2.854 20 0 BFADMN Cc1ccnc(CN[C@H](C)CC(F)(F)F)c1 ZINC001255633637 970410748 /nfs/dbraw/zinc/41/07/48/970410748.db2.gz UYHVPJNQOMTKBL-SECBINFHSA-N 0 1 232.249 2.821 20 0 BFADMN Cc1ccc(C[C@@H](C)NCc2ccon2)cc1 ZINC001255772190 970473411 /nfs/dbraw/zinc/47/34/11/970473411.db2.gz GJOYGHHCQCCUPV-GFCCVEGCSA-N 0 1 230.311 2.704 20 0 BFADMN Cc1ccc(C[C@@H](C)NCc2ncccn2)cc1 ZINC001255770452 970476324 /nfs/dbraw/zinc/47/63/24/970476324.db2.gz KKPPHFIZHWQOJV-CYBMUJFWSA-N 0 1 241.338 2.506 20 0 BFADMN C[C@@H]1CC[C@H](N2CC(Oc3ccccc3)C2)C1 ZINC001170154368 970477702 /nfs/dbraw/zinc/47/77/02/970477702.db2.gz YGMUACPJXKGGQP-OLZOCXBDSA-N 0 1 231.339 2.938 20 0 BFADMN Cc1ccc(C[C@H](C)N2CC3(C2)CCCO3)cc1 ZINC001255787981 970490936 /nfs/dbraw/zinc/49/09/36/970490936.db2.gz QDGJXFHYXYORPQ-AWEZNQCLSA-N 0 1 245.366 2.791 20 0 BFADMN COC1(C)CN([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001255787471 970492958 /nfs/dbraw/zinc/49/29/58/970492958.db2.gz LGMXENCTSXMBIV-ZDUSSCGKSA-N 0 1 233.355 2.647 20 0 BFADMN C[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001609718160 970496804 /nfs/dbraw/zinc/49/68/04/970496804.db2.gz LJWKALJUJKTXBL-PSASIEDQSA-N 0 1 239.340 2.604 20 0 BFADMN Cc1nc2c(o1)CCN([C@@H]1CC[C@@H](C)C1)C2 ZINC001170160181 970500011 /nfs/dbraw/zinc/50/00/11/970500011.db2.gz GHOKOAVQAAQAAF-MWLCHTKSSA-N 0 1 220.316 2.530 20 0 BFADMN FC(F)(F)[C@@H]1CCCN(Cc2cc[nH]c2)C1 ZINC000179622389 970512589 /nfs/dbraw/zinc/51/25/89/970512589.db2.gz TZYSWPJXVXRQLG-SNVBAGLBSA-N 0 1 232.249 2.789 20 0 BFADMN Oc1c(Cl)ccc(Nc2ncco2)c1F ZINC001214790958 970538092 /nfs/dbraw/zinc/53/80/92/970538092.db2.gz CPZFKZNETGVUNJ-UHFFFAOYSA-N 0 1 228.610 2.916 20 0 BFADMN Oc1c(Cl)ccc(Nc2ccncn2)c1F ZINC001214791020 970540299 /nfs/dbraw/zinc/54/02/99/970540299.db2.gz HCXCEEIYPCUDTQ-UHFFFAOYSA-N 0 1 239.637 2.718 20 0 BFADMN C[C@@H](NC1CCCCCC1)c1ncc(F)cn1 ZINC001255883771 970542159 /nfs/dbraw/zinc/54/21/59/970542159.db2.gz XGTXIEQLUNAOSR-SNVBAGLBSA-N 0 1 237.322 2.989 20 0 BFADMN O=C1CN(C2CCCCCC2)CCC[C@H]1F ZINC001255888167 970551886 /nfs/dbraw/zinc/55/18/86/970551886.db2.gz VSDNNBUUOMNMKY-GFCCVEGCSA-N 0 1 227.323 2.712 20 0 BFADMN Cc1cc(C[N@H+]2CC[C@H](C3CC3)C2)oc1C(=O)[O-] ZINC000400150710 970558346 /nfs/dbraw/zinc/55/83/46/970558346.db2.gz FAKPUCREGFOWHL-NSHDSACASA-N 0 1 249.310 2.518 20 0 BFADMN CC(=O)CN(C)[C@@H](C)Cc1ccccc1Cl ZINC001170267782 970647430 /nfs/dbraw/zinc/64/74/30/970647430.db2.gz YJKJFCJANSILPI-JTQLQIEISA-N 0 1 239.746 2.792 20 0 BFADMN CCCCCc1nnc(-c2[nH]cnc2C)o1 ZINC001256112800 970663399 /nfs/dbraw/zinc/66/33/99/970663399.db2.gz QAPMCKLJQSPBPK-UHFFFAOYSA-N 0 1 220.276 2.501 20 0 BFADMN Cc1ncn(-c2ccc(F)c(F)c2Cl)c1N ZINC001215401847 970745353 /nfs/dbraw/zinc/74/53/53/970745353.db2.gz UPFGEZLFSDACEK-UHFFFAOYSA-N 0 1 243.644 2.695 20 0 BFADMN CC(C)CC[C@H](C)N[C@@H]1NC(=O)c2ccccc21 ZINC001256357298 970756666 /nfs/dbraw/zinc/75/66/66/970756666.db2.gz DYFGVTZBUFAHNY-SMDDNHRTSA-N 0 1 246.354 2.843 20 0 BFADMN Cc1cc(CN2CCc3cc(C)c(C)cc32)n[nH]1 ZINC001327404535 972570083 /nfs/dbraw/zinc/57/00/83/972570083.db2.gz PNLOGZBIMJWUOW-UHFFFAOYSA-N 0 1 241.338 2.898 20 0 BFADMN Cc1c(O)cccc1CN1CC[C@@H](C)[C@H](F)C1 ZINC001144107068 972600039 /nfs/dbraw/zinc/60/00/39/972600039.db2.gz FUIROZBNOSHMNR-ZWNOBZJWSA-N 0 1 237.318 2.881 20 0 BFADMN COc1ccc(O)cc1-c1ccc2nc[nH]c2c1 ZINC001222625171 972609515 /nfs/dbraw/zinc/60/95/15/972609515.db2.gz SBQFVMGCQRGAIM-UHFFFAOYSA-N 0 1 240.262 2.944 20 0 BFADMN CC(C)C(C)(C)SCCc1c[nH]nn1 ZINC001327552322 972629592 /nfs/dbraw/zinc/62/95/92/972629592.db2.gz RCNPXJPSYUDTAA-UHFFFAOYSA-N 0 1 213.350 2.515 20 0 BFADMN C1=C[C@H](NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001327584075 972652414 /nfs/dbraw/zinc/65/24/14/972652414.db2.gz YGZCVHWQYQNGOI-ZDUSSCGKSA-N 0 1 239.322 2.885 20 0 BFADMN C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(F)cc32)C1 ZINC001144187092 972677676 /nfs/dbraw/zinc/67/76/76/972677676.db2.gz VMZAWFVELKCKRL-SNVBAGLBSA-N 0 1 247.317 2.934 20 0 BFADMN C[C@H]1CCCC[C@@H]1CSCc1nnc[nH]1 ZINC001327715193 972708348 /nfs/dbraw/zinc/70/83/48/972708348.db2.gz VRKGIQYPSWCSLK-VHSXEESVSA-N 0 1 225.361 2.864 20 0 BFADMN Cc1cccc(CN(C)Cc2ccc(O)cn2)c1 ZINC001144253097 972716249 /nfs/dbraw/zinc/71/62/49/972716249.db2.gz HJJJBPWZOFQTBB-UHFFFAOYSA-N 0 1 242.322 2.728 20 0 BFADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000394771625 972755736 /nfs/dbraw/zinc/75/57/36/972755736.db2.gz AHYFFGLXQXGRAU-LPWJVIDDSA-N 0 1 239.359 2.608 20 0 BFADMN CC[N@@H+](C[C@@H]1CCCC[C@@H]1C)C(C)(C)C(=O)[O-] ZINC000394802330 972759898 /nfs/dbraw/zinc/75/98/98/972759898.db2.gz UBHHXLXRCDUQGT-RYUDHWBXSA-N 0 1 241.375 2.998 20 0 BFADMN CC(C)[C@@H](O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001327863961 972765073 /nfs/dbraw/zinc/76/50/73/972765073.db2.gz KOHYGLCACZZTII-HNNXBMFYSA-N 0 1 246.354 2.617 20 0 BFADMN CCc1cccc(CN2CCC[C@H]2C(C)=O)c1 ZINC001144328927 972767937 /nfs/dbraw/zinc/76/79/37/972767937.db2.gz JZFFILVHEINCSN-HNNXBMFYSA-N 0 1 231.339 2.802 20 0 BFADMN CC[C@H]1CCCC[C@H]1OCc1cnc[nH]1 ZINC001222999462 972793528 /nfs/dbraw/zinc/79/35/28/972793528.db2.gz CMFACQFWFLWYFC-CMPLNLGQSA-N 0 1 208.305 2.895 20 0 BFADMN C[C@H](COCc1cnc[nH]1)OCc1ccccc1 ZINC001223000286 972793770 /nfs/dbraw/zinc/79/37/70/972793770.db2.gz MWXKFPXDKCHQSP-GFCCVEGCSA-N 0 1 246.310 2.532 20 0 BFADMN Cc1cccc2c1[C@@H](OCc1cnc[nH]1)CC2 ZINC001223002750 972800876 /nfs/dbraw/zinc/80/08/76/972800876.db2.gz XWLOWXKJAFKOEB-ZDUSSCGKSA-N 0 1 228.295 2.922 20 0 BFADMN Cc1cc(CN2CCC(C3CCC3)CC2)[nH]n1 ZINC001327939891 972822827 /nfs/dbraw/zinc/82/28/27/972822827.db2.gz GWVBWHADECKLJR-UHFFFAOYSA-N 0 1 233.359 2.730 20 0 BFADMN COc1ncc(CN2CCCC2(C)C)cc1F ZINC001144450649 972826358 /nfs/dbraw/zinc/82/63/58/972826358.db2.gz AABUYJNTYHGGDP-UHFFFAOYSA-N 0 1 238.306 2.604 20 0 BFADMN CCCCN(C)Cc1ncn2ccccc12 ZINC001144610685 972887448 /nfs/dbraw/zinc/88/74/48/972887448.db2.gz ARCVBUXBKFZFHI-UHFFFAOYSA-N 0 1 217.316 2.566 20 0 BFADMN c1nc(CN2CCCCC23CC3)c2ccccn12 ZINC001144624544 972889387 /nfs/dbraw/zinc/88/93/87/972889387.db2.gz JRWWNIHKNOROSY-UHFFFAOYSA-N 0 1 241.338 2.853 20 0 BFADMN CC[N@@H+](Cc1cc(F)c([O-])cc1F)C1CC1 ZINC001144646747 972907604 /nfs/dbraw/zinc/90/76/04/972907604.db2.gz INALVZLOHNYXGO-UHFFFAOYSA-N 0 1 227.254 2.655 20 0 BFADMN CC[C@@H]1CC[N@@H+](Cc2cc(F)c([O-])cc2F)C1 ZINC001144663526 972926966 /nfs/dbraw/zinc/92/69/66/972926966.db2.gz GEAZFXYDFAQGKH-SECBINFHSA-N 0 1 241.281 2.902 20 0 BFADMN CC[C@@H]1CCC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144677934 972932224 /nfs/dbraw/zinc/93/22/24/972932224.db2.gz IGMCELTWPXAGHE-SECBINFHSA-N 0 1 239.340 2.821 20 0 BFADMN CC[C@H](COC)Nc1ccc(C)c(C)n1 ZINC001160933355 973131728 /nfs/dbraw/zinc/13/17/28/973131728.db2.gz HLAKQLPFKXAXCK-LLVKDONJSA-N 0 1 208.305 2.535 20 0 BFADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccoc21 ZINC001328643227 973217954 /nfs/dbraw/zinc/21/79/54/973217954.db2.gz OJBQSNRYRWGBLN-LBPRGKRZSA-N 0 1 247.294 2.728 20 0 BFADMN CCOC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171297239 973446683 /nfs/dbraw/zinc/44/66/83/973446683.db2.gz LJANEMYZIRJPHB-NEPJUHHUSA-N 0 1 241.375 2.696 20 0 BFADMN CCOC(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171297239 973446691 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221.348 2.624 20 0 BFADMN C[C@H]1CCN(Cc2ncccc2C(F)(F)F)C1 ZINC000092471235 345622965 /nfs/dbraw/zinc/62/29/65/345622965.db2.gz CHCQCTUHRRRFKW-VIFPVBQESA-N 0 1 244.260 2.942 20 0 BFADMN CCn1c2ccccc2nc1CN1CC[C@H](C)C1 ZINC000092471593 345623559 /nfs/dbraw/zinc/62/35/59/345623559.db2.gz QSKRRPYFIOHJTG-LBPRGKRZSA-N 0 1 243.354 2.898 20 0 BFADMN Cc1ccccc1[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000091079458 345583032 /nfs/dbraw/zinc/58/30/32/345583032.db2.gz BSAFNSAPFXVNIN-GFCCVEGCSA-N 0 1 241.338 2.837 20 0 BFADMN Cc1nnc(CN[C@@H]2CC[C@H]2C(C)(C)C)s1 ZINC000381370010 345587101 /nfs/dbraw/zinc/58/71/01/345587101.db2.gz IBBKBLBQXVKIHF-NXEZZACHSA-N 0 1 239.388 2.761 20 0 BFADMN Cc1nnc(CN[C@H]2CC[C@H]2C(C)(C)C)s1 ZINC000381370014 345587746 /nfs/dbraw/zinc/58/77/46/345587746.db2.gz IBBKBLBQXVKIHF-ZJUUUORDSA-N 0 1 239.388 2.761 20 0 BFADMN COCCCN(C)Cc1cccc(F)c1Cl ZINC000093168472 345658089 /nfs/dbraw/zinc/65/80/89/345658089.db2.gz FMCJTBYDTCXFAK-UHFFFAOYSA-N 0 1 245.725 2.947 20 0 BFADMN CCOC[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000093838589 345665048 /nfs/dbraw/zinc/66/50/48/345665048.db2.gz TYKYMWDAVMEEQY-JTQLQIEISA-N 0 1 243.734 2.791 20 0 BFADMN COC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000093337323 345653406 /nfs/dbraw/zinc/65/34/06/345653406.db2.gz BLSHTAUHYVJZGI-SNVBAGLBSA-N 0 1 243.734 2.791 20 0 BFADMN C[C@H](N=c1[nH]c(C(F)(F)F)cs1)C(F)F ZINC000641729891 362645392 /nfs/dbraw/zinc/64/53/92/362645392.db2.gz NNQMESRCUQPEAE-VKHMYHEASA-N 0 1 246.204 2.649 20 0 BFADMN CN(Cc1ccco1)[C@H](CCO)c1ccccc1 ZINC000093442300 345670856 /nfs/dbraw/zinc/67/08/56/345670856.db2.gz VESZELQLKGGTDR-OAHLLOKOSA-N 0 1 245.322 2.835 20 0 BFADMN c1ccc2cc(SCc3nn[nH]n3)ccc2c1 ZINC000095251213 345685187 /nfs/dbraw/zinc/68/51/87/345685187.db2.gz VSSYNWAQJKPQAI-UHFFFAOYSA-N 0 1 242.307 2.645 20 0 BFADMN Cc1ccc(CN2CCC[C@H](F)C2)s1 ZINC000215291926 345741706 /nfs/dbraw/zinc/74/17/06/345741706.db2.gz GLMMNCZIOCVBHB-JTQLQIEISA-N 0 1 213.321 2.990 20 0 BFADMN Cc1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)n[nH]1 ZINC000143895664 345707440 /nfs/dbraw/zinc/70/74/40/345707440.db2.gz RKWPRRKCXFOQIP-NSHDSACASA-N 0 1 249.358 2.759 20 0 BFADMN COc1cc2[nH]c(-c3ccccn3)nc2cc1C ZINC000147072934 345710607 /nfs/dbraw/zinc/71/06/07/345710607.db2.gz IOECGFAWNHGARE-UHFFFAOYSA-N 0 1 239.278 2.942 20 0 BFADMN Cc1nnc([C@@H](C)N[C@@H](C)C2CCCCC2)o1 ZINC000174140555 345893083 /nfs/dbraw/zinc/89/30/83/345893083.db2.gz JUDWJDSQAGCROW-VHSXEESVSA-N 0 1 237.347 2.997 20 0 BFADMN Cc1ccc(C[N@@H+](C)CCCC(=O)[O-])c(C)c1 ZINC000083662487 537918530 /nfs/dbraw/zinc/91/85/30/537918530.db2.gz YOETZXCGOHBVED-UHFFFAOYSA-N 0 1 235.327 2.600 20 0 BFADMN CCCCN(C(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635658925 345938605 /nfs/dbraw/zinc/93/86/05/345938605.db2.gz PLDYWGJBANYELT-CYBMUJFWSA-N 0 1 248.370 2.770 20 0 BFADMN Cc1ncc(CNC[C@@H](C)Oc2ccccc2)o1 ZINC000628217897 345946685 /nfs/dbraw/zinc/94/66/85/345946685.db2.gz MUHCXCHFGBMDJI-LLVKDONJSA-N 0 1 246.310 2.540 20 0 BFADMN Cc1nccc(NC[C@@H]2CC23CC3)c1Cl ZINC000418974445 192093455 /nfs/dbraw/zinc/09/34/55/192093455.db2.gz FUBUGABCDYHIHZ-VIFPVBQESA-N 0 1 222.719 2.677 20 0 BFADMN CC[C@@H](NCc1ccnn1C)c1ccsc1 ZINC000294396735 345981330 /nfs/dbraw/zinc/98/13/30/345981330.db2.gz KRZXGLOCRCOEBR-GFCCVEGCSA-N 0 1 235.356 2.723 20 0 BFADMN CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635703943 345990329 /nfs/dbraw/zinc/99/03/29/345990329.db2.gz BVSRNQCOBZOYDV-CHWSQXEVSA-N 0 1 240.391 2.508 20 0 BFADMN CC(C)C[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300256571 346005308 /nfs/dbraw/zinc/00/53/08/346005308.db2.gz DFVADEZNZNYXRQ-TZMCWYRMSA-N 0 1 241.375 2.854 20 0 BFADMN CCOc1cccc(CN2CC3(CC3)C2)c1 ZINC000449369460 201887604 /nfs/dbraw/zinc/88/76/04/201887604.db2.gz CLPNCCDBRLGPIX-UHFFFAOYSA-N 0 1 217.312 2.681 20 0 BFADMN CCO[C@@H]1C[C@@H]1NCc1cc(Cl)ccc1F ZINC000381498106 346150287 /nfs/dbraw/zinc/15/02/87/346150287.db2.gz BRAHHZAMAOMNLV-NWDGAFQWSA-N 0 1 243.709 2.746 20 0 BFADMN Cc1ccc(CN2CCCOCC2)cc1Cl ZINC000447735237 537953788 /nfs/dbraw/zinc/95/37/88/537953788.db2.gz CIDJOWZVQXFZOJ-UHFFFAOYSA-N 0 1 239.746 2.871 20 0 BFADMN Cc1nc(CN2CCC[C@@H](C(C)C)C2)[nH]c1C ZINC000628243996 346208606 /nfs/dbraw/zinc/20/86/06/346208606.db2.gz OUWUVCUKLFJARG-CYBMUJFWSA-N 0 1 235.375 2.895 20 0 BFADMN Cc1c[nH]c(CN(C)C[C@H]2CC=CCC2)n1 ZINC000628237600 346193109 /nfs/dbraw/zinc/19/31/09/346193109.db2.gz SGCCGIISTHWIEB-LBPRGKRZSA-N 0 1 219.332 2.506 20 0 BFADMN COC(C)(C)CN(C)Cc1cc(F)ccc1F ZINC000531575337 323110264 /nfs/dbraw/zinc/11/02/64/323110264.db2.gz QFSWJLSHEBSNDK-UHFFFAOYSA-N 0 1 243.297 2.822 20 0 BFADMN CC[C@@H]1CCCN1Cc1ccc(Cl)nn1 ZINC000167397534 346243650 /nfs/dbraw/zinc/24/36/50/346243650.db2.gz NQRSCDROTJEYBZ-SNVBAGLBSA-N 0 1 225.723 2.504 20 0 BFADMN COC(C)(C)CN(C)Cc1nc(C)c(C)s1 ZINC000531829396 323114994 /nfs/dbraw/zinc/11/49/94/323114994.db2.gz GOHUVTWGGQGBLV-UHFFFAOYSA-N 0 1 242.388 2.617 20 0 BFADMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC000626161507 346270482 /nfs/dbraw/zinc/27/04/82/346270482.db2.gz DRJMKIGWCGXSNR-WSNITJDQSA-N 0 1 247.386 2.907 20 0 BFADMN C/C=C\C[C@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC000626161507 346270485 /nfs/dbraw/zinc/27/04/85/346270485.db2.gz DRJMKIGWCGXSNR-WSNITJDQSA-N 0 1 247.386 2.907 20 0 BFADMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000626163693 346276017 /nfs/dbraw/zinc/27/60/17/346276017.db2.gz ONDNHULUIAOSGW-RDFMZFSFSA-N 0 1 245.370 2.963 20 0 BFADMN C/C=C\C[C@@H]1CCCN(Cc2ccn(C)n2)C1 ZINC000626164054 346276945 /nfs/dbraw/zinc/27/69/45/346276945.db2.gz VWIPXFOZBBTTPI-DHCBQETCSA-N 0 1 233.359 2.598 20 0 BFADMN C/C=C\C[C@H]1CCCN(Cc2n[nH]c(CC)n2)C1 ZINC000626164046 346277140 /nfs/dbraw/zinc/27/71/40/346277140.db2.gz VVSJTJLNPLWTSV-FHMRSRPSSA-N 0 1 248.374 2.545 20 0 BFADMN C/C=C/C[C@H]1CCCN(Cc2cnns2)C1 ZINC000626164149 346277197 /nfs/dbraw/zinc/27/71/97/346277197.db2.gz XMCCKZUOYIVWHY-VUDBWIFFSA-N 0 1 237.372 2.716 20 0 BFADMN C/C=C\C[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000626164096 346277226 /nfs/dbraw/zinc/27/72/26/346277226.db2.gz WIJHSSMMKAAARY-DIABFLQPSA-N 0 1 248.374 2.554 20 0 BFADMN Cc1c[nH]c(CN2CCC(C)(C3CC3)CC2)n1 ZINC000628286012 346297548 /nfs/dbraw/zinc/29/75/48/346297548.db2.gz QUXSRYUNBKZJFI-UHFFFAOYSA-N 0 1 233.359 2.730 20 0 BFADMN CC[C@@H]1CCCC[C@@H]1CN1CCn2cncc2C1 ZINC000628285923 346297631 /nfs/dbraw/zinc/29/76/31/346297631.db2.gz MXXUKUNXFQWHSO-ZIAGYGMSSA-N 0 1 247.386 2.915 20 0 BFADMN Cc1cccc(C)c1CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356998504 179035148 /nfs/dbraw/zinc/03/51/48/179035148.db2.gz JPRSXGQYLGSBIH-HUUCEWRRSA-N 0 1 246.398 2.828 20 0 BFADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)C1CCCC1 ZINC000636066686 346306532 /nfs/dbraw/zinc/30/65/32/346306532.db2.gz FYMPRCISRWQWQM-SNVBAGLBSA-N 0 1 249.358 2.503 20 0 BFADMN CCn1ccnc1CN([C@@H](C)C(C)C)C1CC1 ZINC000534329748 323116938 /nfs/dbraw/zinc/11/69/38/323116938.db2.gz CDYHEMMRQKNYHL-LBPRGKRZSA-N 0 1 235.375 2.912 20 0 BFADMN CCN(Cc1nnc(C)n1C1CC1)C1CCCC1 ZINC000154893822 346334770 /nfs/dbraw/zinc/33/47/70/346334770.db2.gz UNKMYUAXOGIPDS-UHFFFAOYSA-N 0 1 248.374 2.686 20 0 BFADMN Cc1cccc(C)c1[C@@H](C)NCc1ccn(C)n1 ZINC000354638169 179049585 /nfs/dbraw/zinc/04/95/85/179049585.db2.gz MEKLUSCZAIHKSH-CYBMUJFWSA-N 0 1 243.354 2.888 20 0 BFADMN CSc1ccc(CNC2CC(F)(F)C2)o1 ZINC000641765815 362697951 /nfs/dbraw/zinc/69/79/51/362697951.db2.gz ZKPDVBXNOKBQTG-UHFFFAOYSA-N 0 1 233.283 2.889 20 0 BFADMN Cc1cc([C@@H](C)NCCc2cccc(C)n2)no1 ZINC000284983284 179060497 /nfs/dbraw/zinc/06/04/97/179060497.db2.gz GFFXUQDFURDXIT-GFCCVEGCSA-N 0 1 245.326 2.580 20 0 BFADMN Cc1c(CN(C)Cc2cccc(C)c2)cnn1C ZINC000014192132 179070584 /nfs/dbraw/zinc/07/05/84/179070584.db2.gz PKLREDDNGCVCFZ-UHFFFAOYSA-N 0 1 243.354 2.669 20 0 BFADMN Cc1cccc(CN(C)CCOC(C)(C)C)n1 ZINC000336707404 179065500 /nfs/dbraw/zinc/06/55/00/179065500.db2.gz GWIJZWBAJXQQQL-UHFFFAOYSA-N 0 1 236.359 2.637 20 0 BFADMN Cc1cccc(CN2CCOCC23CC3)c1C ZINC000339003005 179078341 /nfs/dbraw/zinc/07/83/41/179078341.db2.gz SMXNBQDLRYFPRX-UHFFFAOYSA-N 0 1 231.339 2.668 20 0 BFADMN Cc1cccc(CN2CCO[C@H](C3CC3)C2)c1C ZINC000362507276 179078440 /nfs/dbraw/zinc/07/84/40/179078440.db2.gz DPOYZEAJVNHJKV-INIZCTEOSA-N 0 1 245.366 2.914 20 0 BFADMN C[C@@H](CCC(F)(F)F)N[C@@H](C)C(F)F ZINC000641792626 362727710 /nfs/dbraw/zinc/72/77/10/362727710.db2.gz XRFOLNKHCOLOSC-WDSKDSINSA-N 0 1 219.197 2.961 20 0 BFADMN CCOC1CCC(N[C@@H](C)C(F)F)CC1 ZINC000641792819 362729257 /nfs/dbraw/zinc/72/92/57/362729257.db2.gz YSPGEOUTTBUCBZ-IDKOKCKLSA-N 0 1 221.291 2.577 20 0 BFADMN Cc1cccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000054299854 179076809 /nfs/dbraw/zinc/07/68/09/179076809.db2.gz HPFADTUXIIUXIF-CQSZACIVSA-N 0 1 247.338 2.682 20 0 BFADMN Cc1cccc(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000045784930 179085123 /nfs/dbraw/zinc/08/51/23/179085123.db2.gz GCTJIFVYOLGRCI-STQMWFEESA-N 0 1 219.328 2.604 20 0 BFADMN C[C@H](NC1CCC(F)(F)CC1)C(F)F ZINC000641791044 362729938 /nfs/dbraw/zinc/72/99/38/362729938.db2.gz CIANZKQDAGONFE-LURJTMIESA-N 0 1 213.218 2.808 20 0 BFADMN Cc1cccc(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000045784933 179082305 /nfs/dbraw/zinc/08/23/05/179082305.db2.gz GCTJIFVYOLGRCI-QWHCGFSZSA-N 0 1 219.328 2.604 20 0 BFADMN CC[C@@](C)(CN[C@H](C)c1cscn1)OC ZINC000322648296 346438403 /nfs/dbraw/zinc/43/84/03/346438403.db2.gz WJTRIISSTKXFND-KOLCDFICSA-N 0 1 228.361 2.609 20 0 BFADMN C[C@@]1(C2CCCCC2)CCN1C(=O)c1cnc[nH]1 ZINC000636386708 346439250 /nfs/dbraw/zinc/43/92/50/346439250.db2.gz LJKAUEAPUZYCPU-AWEZNQCLSA-N 0 1 247.342 2.595 20 0 BFADMN Cc1cccc(CNCc2ccccn2)c1C ZINC000048219022 179095403 /nfs/dbraw/zinc/09/54/03/179095403.db2.gz HLNRRBJWSIEBQE-UHFFFAOYSA-N 0 1 226.323 2.988 20 0 BFADMN Cc1cccc(CNCc2ccccc2C)n1 ZINC000048329640 179095718 /nfs/dbraw/zinc/09/57/18/179095718.db2.gz GLKYPOSGHBZKBO-UHFFFAOYSA-N 0 1 226.323 2.988 20 0 BFADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC1CCCC1 ZINC000563454286 323127155 /nfs/dbraw/zinc/12/71/55/323127155.db2.gz DJXVHQCETBGJQJ-MDZLAQPJSA-N 0 1 239.359 2.750 20 0 BFADMN CCCN(Cc1ccoc1C(=O)OC)C(C)C ZINC000577121288 365825950 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ZINC000236867261 388384760 /nfs/dbraw/zinc/38/47/60/388384760.db2.gz GSUWWRXLISZENJ-CYBMUJFWSA-N 0 1 249.354 2.723 20 0 BFADMN Cc1sccc1CN[C@H](C)c1cn[nH]c1 ZINC000293407601 388389617 /nfs/dbraw/zinc/38/96/17/388389617.db2.gz YRMFROJKXSSEEH-MRVPVSSYSA-N 0 1 221.329 2.630 20 0 BFADMN CC(C)C1(N[C@@H](C)c2cscn2)CC1 ZINC000293862623 388393203 /nfs/dbraw/zinc/39/32/03/388393203.db2.gz ZDCHEEAOJNXGJI-VIFPVBQESA-N 0 1 210.346 2.982 20 0 BFADMN Cc1cnc(CNC[C@@H]2CCC(F)(F)C2)o1 ZINC000300815102 388395027 /nfs/dbraw/zinc/39/50/27/388395027.db2.gz FRQZKQZUNMUSIH-SECBINFHSA-N 0 1 230.258 2.508 20 0 BFADMN CC[C@@H](C)[C@@H](CNCc1nc(C)cs1)OC ZINC000294330480 388399348 /nfs/dbraw/zinc/39/93/48/388399348.db2.gz XQCRXXINZWDSIW-MWLCHTKSSA-N 0 1 242.388 2.602 20 0 BFADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000572967660 388400392 /nfs/dbraw/zinc/40/03/92/388400392.db2.gz OYMJJSLMZUWBML-CQSZACIVSA-N 0 1 247.338 2.853 20 0 BFADMN Clc1ccc(CN2CCCC2)s1 ZINC000066405533 388400546 /nfs/dbraw/zinc/40/05/46/388400546.db2.gz IJBXMPQRJKBIIN-UHFFFAOYSA-N 0 1 201.722 2.997 20 0 BFADMN CC[C@](C)(CN[C@H](C)c1csc(C)n1)OC ZINC000322605696 388441128 /nfs/dbraw/zinc/44/11/28/388441128.db2.gz JKQFNHMHJPJRAU-BXKDBHETSA-N 0 1 242.388 2.917 20 0 BFADMN CCC(C)(C)OCCN[C@H](C)c1nccs1 ZINC000308540071 388441893 /nfs/dbraw/zinc/44/18/93/388441893.db2.gz IKVVCFVPDQBKBJ-SNVBAGLBSA-N 0 1 242.388 2.999 20 0 BFADMN C[C@H](NC1CCC(C)CC1)c1csnn1 ZINC000334835857 388447478 /nfs/dbraw/zinc/44/74/78/388447478.db2.gz KSJRROHYWKELER-KYHHOPLUSA-N 0 1 225.361 2.767 20 0 BFADMN Cc1cc(CN)oc1-c1nc(C2CCCC2)no1 ZINC000634553934 388447503 /nfs/dbraw/zinc/44/75/03/388447503.db2.gz LCDSACWQJWVENS-UHFFFAOYSA-N 0 1 247.298 2.754 20 0 BFADMN C[C@H]1CCN(Cc2cccnc2C(F)(F)F)C1 ZINC000528367740 388452079 /nfs/dbraw/zinc/45/20/79/388452079.db2.gz YNHWLHRHSCLPJJ-VIFPVBQESA-N 0 1 244.260 2.942 20 0 BFADMN C[C@@H]1C[C@@H](C)N1Cc1cccc2c1OCCCO2 ZINC000525996732 388453760 /nfs/dbraw/zinc/45/37/60/388453760.db2.gz CSQIHRNPUOQZSQ-VXGBXAGGSA-N 0 1 247.338 2.831 20 0 BFADMN CC[C@H](COC)NCc1ccsc1Cl ZINC000336663002 388460278 /nfs/dbraw/zinc/46/02/78/388460278.db2.gz TVGRQGCIZNFTGV-SECBINFHSA-N 0 1 233.764 2.916 20 0 BFADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC2(CCC2)C1 ZINC000176945690 388468104 /nfs/dbraw/zinc/46/81/04/388468104.db2.gz IATGNVKCQGAGIO-NSHDSACASA-N 0 1 239.359 2.593 20 0 BFADMN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(C2CC2)o1 ZINC000524790579 388410185 /nfs/dbraw/zinc/41/01/85/388410185.db2.gz MDCZKSHTPBEXIC-MWLCHTKSSA-N 0 1 235.331 2.567 20 0 BFADMN NC1(c2noc(/C=C\C3CC3)n2)CCCCC1 ZINC000428379972 388410354 /nfs/dbraw/zinc/41/03/54/388410354.db2.gz PRCQAWQFODYJBH-SREVYHEPSA-N 0 1 233.315 2.611 20 0 BFADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](F)C2)no1 ZINC000516063735 256763823 /nfs/dbraw/zinc/76/38/23/256763823.db2.gz WSNHBBHIQOKQES-GARJFASQSA-N 0 1 226.295 2.914 20 0 BFADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000573167183 388427982 /nfs/dbraw/zinc/42/79/82/388427982.db2.gz ZIJDUCQKLDKJQH-NWDGAFQWSA-N 0 1 234.343 2.798 20 0 BFADMN CC(C)[N@@H+](CCCCCC(=O)[O-])C1CCC1 ZINC000573213541 388433114 /nfs/dbraw/zinc/43/31/14/388433114.db2.gz HTGOLJMJFUOXMP-UHFFFAOYSA-N 0 1 227.348 2.894 20 0 BFADMN CC[C@](C)(CNCc1c(F)cccc1F)OC ZINC000322517288 388436922 /nfs/dbraw/zinc/43/69/22/388436922.db2.gz KNTRBNXZGLMUGV-CYBMUJFWSA-N 0 1 243.297 2.870 20 0 BFADMN Cc1nnc([C@@H](C)NCCc2ccccc2)s1 ZINC000353574619 388542235 /nfs/dbraw/zinc/54/22/35/388542235.db2.gz XXIYFTLVSWGSAV-SNVBAGLBSA-N 0 1 247.367 2.740 20 0 BFADMN CCC[C@H]1CCCC[C@@H]1NCc1nc(C)no1 ZINC000548488476 388543443 /nfs/dbraw/zinc/54/34/43/388543443.db2.gz GETOEPNWQWCRPY-RYUDHWBXSA-N 0 1 237.347 2.827 20 0 BFADMN c1nc(N[C@H]2CCCSC2)cc2c1CCC2 ZINC000339551400 388485130 /nfs/dbraw/zinc/48/51/30/388485130.db2.gz FJUJEVNCYOJUJO-LBPRGKRZSA-N 0 1 234.368 2.878 20 0 BFADMN C[N@@H+](Cc1ccsc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000564336802 388501473 /nfs/dbraw/zinc/50/14/73/388501473.db2.gz IDQJVIFASADKLS-SECBINFHSA-N 0 1 239.340 2.677 20 0 BFADMN Cc1csc(CNCc2ccccn2)c1 ZINC000344620895 388507832 /nfs/dbraw/zinc/50/78/32/388507832.db2.gz YUZNKQBNLZVMST-UHFFFAOYSA-N 0 1 218.325 2.741 20 0 BFADMN CCN(Cc1ncccc1Cl)CC1CC1 ZINC000528384020 388518024 /nfs/dbraw/zinc/51/80/24/388518024.db2.gz ZFCNVAIPNCCIME-UHFFFAOYSA-N 0 1 224.735 2.967 20 0 BFADMN C/C(Cl)=C/CN1CC[C@@H](OCC(C)C)C1 ZINC000528402756 388521268 /nfs/dbraw/zinc/52/12/68/388521268.db2.gz IGXGUOIORSQTQH-CSXHZRMWSA-N 0 1 231.767 2.876 20 0 BFADMN CC(C)n1cc(CN(C)[C@H](C)C(C)(C)C)nn1 ZINC000516996272 388531091 /nfs/dbraw/zinc/53/10/91/388531091.db2.gz MWYCJLMLBVGZPV-LLVKDONJSA-N 0 1 238.379 2.725 20 0 BFADMN CCO[C@@H]1C[C@H]1NCc1cc2ccccc2o1 ZINC000517009143 388532746 /nfs/dbraw/zinc/53/27/46/388532746.db2.gz RYEYUJGNOOUXDE-TZMCWYRMSA-N 0 1 231.295 2.700 20 0 BFADMN C[N@H+](Cc1occc1C(=O)[O-])CC1CCCC1 ZINC000111237697 388588148 /nfs/dbraw/zinc/58/81/48/388588148.db2.gz RZZNANFODSOJSJ-UHFFFAOYSA-N 0 1 237.299 2.600 20 0 BFADMN COc1nc2ccccc2cc1CN1CC(C)C1 ZINC000549808651 388591408 /nfs/dbraw/zinc/59/14/08/388591408.db2.gz VXLZRHBHIFEKCJ-UHFFFAOYSA-N 0 1 242.322 2.695 20 0 BFADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC1CC(C)(C)C1 ZINC000530165700 388617654 /nfs/dbraw/zinc/61/76/54/388617654.db2.gz KAPDMMYDZXRGMB-GFCCVEGCSA-N 0 1 241.375 2.854 20 0 BFADMN CCn1nccc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245730715 388601790 /nfs/dbraw/zinc/60/17/90/388601790.db2.gz JRVPJNYXQRKVLD-VXGBXAGGSA-N 0 1 221.348 2.523 20 0 BFADMN C[C@H](C[N@@H+](CC1CC(C)(C)C1)C1CC1)C(=O)[O-] ZINC000530164972 388618334 /nfs/dbraw/zinc/61/83/34/388618334.db2.gz GBJWRFFJQZTYBZ-SNVBAGLBSA-N 0 1 239.359 2.608 20 0 BFADMN CCC(F)(F)CNC1CCC(COC)CC1 ZINC000623678903 388614381 /nfs/dbraw/zinc/61/43/81/388614381.db2.gz AUFLXBFGHXXRKG-UHFFFAOYSA-N 0 1 235.318 2.827 20 0 BFADMN Cc1cccc(CCC[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000517576356 388554246 /nfs/dbraw/zinc/55/42/46/388554246.db2.gz VDNZGOJUISBWGV-ZDUSSCGKSA-N 0 1 249.354 2.580 20 0 BFADMN C[C@H]1CCCC[C@@H]1N(C)Cc1nnc(C2CC2)o1 ZINC000548731037 388554682 /nfs/dbraw/zinc/55/46/82/388554682.db2.gz CBRGBMOCBJMYJC-JQWIXIFHSA-N 0 1 249.358 2.958 20 0 BFADMN COC(=O)c1ccc([C@H](C)N2[C@@H](C)C[C@@H]2C)o1 ZINC000548754001 388557227 /nfs/dbraw/zinc/55/72/27/388557227.db2.gz DYUKTVJIIKIWSI-GUBZILKMSA-N 0 1 237.299 2.610 20 0 BFADMN Cc1noc(C)c1CN1CCC(F)(F)C[C@@H]1C ZINC000528767036 388570324 /nfs/dbraw/zinc/57/03/24/388570324.db2.gz KOVQEFRALLKULE-QMMMGPOBSA-N 0 1 244.285 2.911 20 0 BFADMN CC/C=C/CC[N@H+](CCC)CC(=O)OCC ZINC000184479518 388578190 /nfs/dbraw/zinc/57/81/90/388578190.db2.gz QIHZYJXRFWCVPL-BQYQJAHWSA-N 0 1 227.348 2.618 20 0 BFADMN CC/C=C/CCN(CCC)CC(=O)OCC ZINC000184479518 388578192 /nfs/dbraw/zinc/57/81/92/388578192.db2.gz QIHZYJXRFWCVPL-BQYQJAHWSA-N 0 1 227.348 2.618 20 0 BFADMN Fc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000549411312 388578482 /nfs/dbraw/zinc/57/84/82/388578482.db2.gz UQNWVTUOULFORK-NSHDSACASA-N 0 1 245.244 2.639 20 0 BFADMN CC[C@H](NCC1=CCCOC1)c1nccs1 ZINC000124746343 388665884 /nfs/dbraw/zinc/66/58/84/388665884.db2.gz VOIWHXAVWKIYIG-NSHDSACASA-N 0 1 238.356 2.531 20 0 BFADMN CCn1ccnc1CN1C[C@@H](C)CC[C@H]1C ZINC000247684916 388668393 /nfs/dbraw/zinc/66/83/93/388668393.db2.gz UUHFARPKTMZWAG-NWDGAFQWSA-N 0 1 221.348 2.523 20 0 BFADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1csnn1 ZINC000126022204 388686359 /nfs/dbraw/zinc/68/63/59/388686359.db2.gz RLRNBVDXZKJUEH-RYUDHWBXSA-N 0 1 239.388 2.843 20 0 BFADMN CC(C)CC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530174750 388620933 /nfs/dbraw/zinc/62/09/33/388620933.db2.gz AHHKLIXVRORZQR-ZSBIGDGJSA-N 0 1 227.348 2.606 20 0 BFADMN CC[C@H]1CCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000246210445 388623593 /nfs/dbraw/zinc/62/35/93/388623593.db2.gz KGIWSDAQGNLIGT-MNOVXSKESA-N 0 1 237.347 2.986 20 0 BFADMN CC1(C)CC(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000530205654 388626642 /nfs/dbraw/zinc/62/66/42/388626642.db2.gz DXIGCXWPMCBDQQ-LLVKDONJSA-N 0 1 239.359 2.609 20 0 BFADMN Cc1sccc1CN1CC[C@H](OC(F)F)C1 ZINC000552234085 388684627 /nfs/dbraw/zinc/68/46/27/388684627.db2.gz AWYKVDDFFPTHRG-JTQLQIEISA-N 0 1 247.310 2.870 20 0 BFADMN CC(C)(C)c1ncc(CN2C3CCC2CC3)cn1 ZINC000551809133 388642110 /nfs/dbraw/zinc/64/21/10/388642110.db2.gz ZSHZOPFPIHUFAE-UHFFFAOYSA-N 0 1 245.370 2.901 20 0 BFADMN CCc1cccc(CN2CCOC[C@@H]2C2CC2)c1 ZINC000189787280 388642533 /nfs/dbraw/zinc/64/25/33/388642533.db2.gz BKZFXFGBBGMXSX-MRXNPFEDSA-N 0 1 245.366 2.860 20 0 BFADMN CCc1cnc(CN[C@H]2CCCSC2)s1 ZINC000128302963 388747384 /nfs/dbraw/zinc/74/73/84/388747384.db2.gz QYMZHWDYQSDOGD-VIFPVBQESA-N 0 1 242.413 2.691 20 0 BFADMN CC[N@@H+](Cc1cc(OC)cc(OC)c1)C1CC1 ZINC000194997200 388748851 /nfs/dbraw/zinc/74/88/51/388748851.db2.gz JRAKTDDMNSVGIH-UHFFFAOYSA-N 0 1 235.327 2.688 20 0 BFADMN Fc1ccc(/C=C/CN2CCSCC2)cc1 ZINC000126212910 388690901 /nfs/dbraw/zinc/69/09/01/388690901.db2.gz WQTMTCKQUWYNAY-OWOJBTEDSA-N 0 1 237.343 2.888 20 0 BFADMN COc1cccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000065448734 388693604 /nfs/dbraw/zinc/69/36/04/388693604.db2.gz IYUJKIGURGSQMQ-LBPRGKRZSA-N 0 1 249.354 2.695 20 0 BFADMN COc1cccc(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000065448734 388693606 /nfs/dbraw/zinc/69/36/06/388693606.db2.gz IYUJKIGURGSQMQ-LBPRGKRZSA-N 0 1 249.354 2.695 20 0 BFADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCCC[C@@H](C)C2)n1 ZINC000248784198 388693906 /nfs/dbraw/zinc/69/39/06/388693906.db2.gz VXTTYSJDOXKGEK-ZYHUDNBSSA-N 0 1 249.358 2.674 20 0 BFADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCCC[C@@H](C)C2)n1 ZINC000248784198 388693910 /nfs/dbraw/zinc/69/39/10/388693910.db2.gz VXTTYSJDOXKGEK-ZYHUDNBSSA-N 0 1 249.358 2.674 20 0 BFADMN CC[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000126325743 388693964 /nfs/dbraw/zinc/69/39/64/388693964.db2.gz DXTRCZNKPHWZEC-UHFFFAOYSA-N 0 1 215.300 2.528 20 0 BFADMN CCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000126325743 388693967 /nfs/dbraw/zinc/69/39/67/388693967.db2.gz DXTRCZNKPHWZEC-UHFFFAOYSA-N 0 1 215.300 2.528 20 0 BFADMN CC[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000126316348 388694142 /nfs/dbraw/zinc/69/41/42/388694142.db2.gz XMFAIPLBWXCIFT-UHFFFAOYSA-N 0 1 210.346 2.862 20 0 BFADMN CCN(C)Cc1cnc(C2CCC2)s1 ZINC000126316348 388694145 /nfs/dbraw/zinc/69/41/45/388694145.db2.gz XMFAIPLBWXCIFT-UHFFFAOYSA-N 0 1 210.346 2.862 20 0 BFADMN Cc1ccccc1[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000195102237 388695961 /nfs/dbraw/zinc/69/59/61/388695961.db2.gz RQSJPVVCFCTTHR-CYBMUJFWSA-N 0 1 243.354 2.922 20 0 BFADMN C[C@@H](c1ccc(F)cc1)N1CCN(C2CC2)CC1 ZINC000195216073 388700949 /nfs/dbraw/zinc/70/09/49/388700949.db2.gz UMEJSYJELXXVQZ-LBPRGKRZSA-N 0 1 248.345 2.667 20 0 BFADMN Cc1ccc2c(c1)[C@@H](NCc1ccn(C)c1)CO2 ZINC000126794691 388702770 /nfs/dbraw/zinc/70/27/70/388702770.db2.gz XCGHWTXYEIHRJH-AWEZNQCLSA-N 0 1 242.322 2.557 20 0 BFADMN Cc1ncc(CN(C)CCOC(C)(C)C)s1 ZINC000065950831 388707128 /nfs/dbraw/zinc/70/71/28/388707128.db2.gz NJFIPJQZOXSDEE-UHFFFAOYSA-N 0 1 242.388 2.698 20 0 BFADMN CCCn1cc(C[N@@H+](C)CC2CCC2)cn1 ZINC000127784322 388732284 /nfs/dbraw/zinc/73/22/84/388732284.db2.gz GYJJRUWORXCCJQ-UHFFFAOYSA-N 0 1 221.348 2.525 20 0 BFADMN CC[C@H]1CCC[C@@H]1NCc1nn(C)cc1Cl ZINC000393360433 388799484 /nfs/dbraw/zinc/79/94/84/388799484.db2.gz BEOOJTDEJYRVDD-ONGXEEELSA-N 0 1 241.766 2.742 20 0 BFADMN CCN(Cc1nc(C2CC2)no1)[C@H](C)C(C)C ZINC000128465620 388761946 /nfs/dbraw/zinc/76/19/46/388761946.db2.gz RRXFFDQMZNQRLK-SNVBAGLBSA-N 0 1 237.347 2.813 20 0 BFADMN COc1cccc(CN2C[C@@H](C)OC(C)(C)C2)c1 ZINC000068481526 388788898 /nfs/dbraw/zinc/78/88/98/388788898.db2.gz IYUJKIGURGSQMQ-GFCCVEGCSA-N 0 1 249.354 2.695 20 0 BFADMN COC(C)(C)CN(C)Cc1cccc(F)c1F ZINC000539928959 388789517 /nfs/dbraw/zinc/78/95/17/388789517.db2.gz KZSVOFWXONVGBD-UHFFFAOYSA-N 0 1 243.297 2.822 20 0 BFADMN CC(C)(C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000447835180 388790184 /nfs/dbraw/zinc/79/01/84/388790184.db2.gz MWOHWMUCTPNIAR-AWEZNQCLSA-N 0 1 233.355 2.934 20 0 BFADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000554853862 388833371 /nfs/dbraw/zinc/83/33/71/388833371.db2.gz FRFJWHDTJGFIMV-CYBMUJFWSA-N 0 1 232.327 2.552 20 0 BFADMN 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OCXWLWVBIXMLIK-RYUDHWBXSA-N 0 1 241.375 2.998 20 0 BFADMN Cc1ccc(C)c(C[N@@H+](CCC(=O)[O-])C2CC2)c1 ZINC000049257314 636047640 /nfs/dbraw/zinc/04/76/40/636047640.db2.gz HQESYYYKBIYIIO-UHFFFAOYSA-N 0 1 247.338 2.743 20 0 BFADMN C[C@H](C[C@@H]1CCOC1)N[C@H]1CCCC1(F)F ZINC000309779835 633732828 /nfs/dbraw/zinc/73/28/28/633732828.db2.gz QTHHNPSJCYHUPV-VWYCJHECSA-N 0 1 233.302 2.579 20 0 BFADMN C[C@@H](N[C@H]1C[C@H]2C=C[C@@H]1CC2)C(F)F ZINC000926866727 633734185 /nfs/dbraw/zinc/73/41/85/633734185.db2.gz QTPGQSAXCHXSEP-RGOKHQFPSA-N 0 1 201.260 2.584 20 0 BFADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cnc[nH]1 ZINC000295138207 633847399 /nfs/dbraw/zinc/84/73/99/633847399.db2.gz LXTGYGZPVZWGNI-IUCAKERBSA-N 0 1 247.264 2.573 20 0 BFADMN Cc1nonc1[C@@H](C)NCC1(CC(C)C)CC1 ZINC000925516469 633869227 /nfs/dbraw/zinc/86/92/27/633869227.db2.gz CWEMHFSOSAKWIJ-SNVBAGLBSA-N 0 1 237.347 2.855 20 0 BFADMN COC/C(C)=C\CN(C)Cc1occc1C ZINC000930556025 633892748 /nfs/dbraw/zinc/89/27/48/633892748.db2.gz ZNCBVJCNIAOOCX-WZUFQYTHSA-N 0 1 223.316 2.613 20 0 BFADMN C[C@H](c1ccc(F)nc1)N1C[C@@H](C)[C@@H]1C ZINC000930582091 633910135 /nfs/dbraw/zinc/91/01/35/633910135.db2.gz LLGFTXAHWMCEKF-KXUCPTDWSA-N 0 1 208.280 2.622 20 0 BFADMN FCc1ccccc1CN1CC[C@H](F)C1 ZINC000930603692 633929884 /nfs/dbraw/zinc/92/98/84/633929884.db2.gz QBAWGCOIXVMXNA-LBPRGKRZSA-N 0 1 211.255 2.700 20 0 BFADMN CC[C@@H]1[C@@H](C)CCN1Cn1ncc(Cl)c1C ZINC000184991385 634031088 /nfs/dbraw/zinc/03/10/88/634031088.db2.gz OZNNQFSPCCRARO-JOYOIKCWSA-N 0 1 241.766 2.923 20 0 BFADMN CCSCCNCc1cc(O)ccc1Cl ZINC000895638421 636169615 /nfs/dbraw/zinc/16/96/15/636169615.db2.gz UNGFTOJCVCRBIA-UHFFFAOYSA-N 0 1 245.775 2.888 20 0 BFADMN CCCC[C@H](C)[C@@H](C)NCc1nonc1C ZINC000309999787 634061618 /nfs/dbraw/zinc/06/16/18/634061618.db2.gz DMUDOOSARSOBNC-VHSXEESVSA-N 0 1 225.336 2.682 20 0 BFADMN C[C@H](c1ncccn1)N1CC(C)(C)C[C@@H]1C ZINC000930723125 634068989 /nfs/dbraw/zinc/06/89/89/634068989.db2.gz WWISBZGVXYNEER-WDEREUQCSA-N 0 1 219.332 2.658 20 0 BFADMN CSC[C@H]1CCCN1Cc1ccc(F)nc1 ZINC000189411372 634182252 /nfs/dbraw/zinc/18/22/52/634182252.db2.gz KAYSWGZTXDCVFP-LLVKDONJSA-N 0 1 240.347 2.548 20 0 BFADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1C1CC1 ZINC000094529142 635372108 /nfs/dbraw/zinc/37/21/08/635372108.db2.gz ADQLTTBBURGELN-UHFFFAOYSA-N 0 1 247.338 2.861 20 0 BFADMN CCc1ccccc1CN[C@@H](C)c1ccnnc1 ZINC000925115817 636086093 /nfs/dbraw/zinc/08/60/93/636086093.db2.gz TZZNAWKNTYUBHV-LBPRGKRZSA-N 0 1 241.338 2.890 20 0 BFADMN COC[C@H](CNc1cccc(C)n1)C(C)C ZINC000896504206 636198462 /nfs/dbraw/zinc/19/84/62/636198462.db2.gz CQGMGOFSJQEDKK-LBPRGKRZSA-N 0 1 222.332 2.721 20 0 BFADMN CCCOC(=O)[C@@H](C)N1[C@H](C)CCC[C@@H]1C ZINC000160544097 636424582 /nfs/dbraw/zinc/42/45/82/636424582.db2.gz QQWKDJPRSKGIPX-GRYCIOLGSA-N 0 1 227.348 2.591 20 0 BFADMN CCCCCC[C@H](C)NCc1ncccn1 ZINC000054459504 636710301 /nfs/dbraw/zinc/71/03/01/636710301.db2.gz IENBDWXMXWPIBI-LBPRGKRZSA-N 0 1 221.348 2.925 20 0 BFADMN CC(C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000163449405 636730056 /nfs/dbraw/zinc/73/00/56/636730056.db2.gz IJHGJBFWCNLCQS-RYUDHWBXSA-N 0 1 239.359 2.752 20 0 BFADMN C[C@@H](N[C@H](C)C1CC1)c1nc(C(C)(C)C)no1 ZINC000237365187 636754846 /nfs/dbraw/zinc/75/48/46/636754846.db2.gz QSMUGXXVBZEQJD-RKDXNWHRSA-N 0 1 237.347 2.816 20 0 BFADMN CCCCN(C)[C@H](C)c1snnc1C ZINC000929126231 636815264 /nfs/dbraw/zinc/81/52/64/636815264.db2.gz UZCIJBHQMCFWBZ-SECBINFHSA-N 0 1 213.350 2.639 20 0 BFADMN Cc1noc(C2(NC[C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000897897885 636844876 /nfs/dbraw/zinc/84/48/76/636844876.db2.gz OUABSFNMKQTJLX-PWSUYJOCSA-N 0 1 249.358 2.783 20 0 BFADMN C[C@@H]1CN(CCCC(C)(F)F)[C@H](C)CO1 ZINC000929182714 636919643 /nfs/dbraw/zinc/91/96/43/636919643.db2.gz PDCRFSSSVJHHIZ-NXEZZACHSA-N 0 1 221.291 2.531 20 0 BFADMN C[C@H]1CN(CCCC(C)(F)F)[C@@H](C)CO1 ZINC000929182715 636920151 /nfs/dbraw/zinc/92/01/51/636920151.db2.gz PDCRFSSSVJHHIZ-UWVGGRQHSA-N 0 1 221.291 2.531 20 0 BFADMN CCC[C@H](C)OC(=O)[C@H]1CCCN1C(C)C ZINC000923887939 636961874 /nfs/dbraw/zinc/96/18/74/636961874.db2.gz AAVMBKDFTDYZLW-NWDGAFQWSA-N 0 1 227.348 2.591 20 0 BFADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccnnc1 ZINC000924644654 636970823 /nfs/dbraw/zinc/97/08/23/636970823.db2.gz QPLIHIXRZQKKCC-MFKMUULPSA-N 0 1 243.310 2.798 20 0 BFADMN CCC[C@H](O)CCN[C@@H](C)c1csc(C)n1 ZINC000927019159 636991554 /nfs/dbraw/zinc/99/15/54/636991554.db2.gz RCAZSTOFSGUDDY-ONGXEEELSA-N 0 1 242.388 2.653 20 0 BFADMN C1CC1c1noc([C@@H]2NCC[C@@H]3CCCC[C@@H]23)n1 ZINC000899997731 637167407 /nfs/dbraw/zinc/16/74/07/637167407.db2.gz FKZHNOICBWXZTL-MVWJERBFSA-N 0 1 247.342 2.788 20 0 BFADMN CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000042706348 637360721 /nfs/dbraw/zinc/36/07/21/637360721.db2.gz ULGZRJYPLYFOQV-GFCCVEGCSA-N 0 1 249.354 2.963 20 0 BFADMN C[C@H](C[N@@H+](CCCC(C)(F)F)C1CC1)C(=O)[O-] ZINC000903601222 637373723 /nfs/dbraw/zinc/37/37/23/637373723.db2.gz GGJMDRILWNWJAP-SECBINFHSA-N 0 1 249.301 2.607 20 0 BFADMN CCC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C1 ZINC000903599027 637374302 /nfs/dbraw/zinc/37/43/02/637374302.db2.gz ZCFHMJLDRHLKSU-YNEHKIRRSA-N 0 1 241.375 2.998 20 0 BFADMN CCc1ccc(C)nc1NCc1cn(CC)cn1 ZINC000904435521 637402724 /nfs/dbraw/zinc/40/27/24/637402724.db2.gz AXNGVBFCLXAPDM-UHFFFAOYSA-N 0 1 244.342 2.781 20 0 BFADMN C[N@@H+](CC1CC=CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905371665 637791937 /nfs/dbraw/zinc/79/19/37/637791937.db2.gz HDJKXUFZAXBCLS-CQSZACIVSA-N 0 1 245.322 2.710 20 0 BFADMN C=C/C=C\CC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905373468 637792040 /nfs/dbraw/zinc/79/20/40/637792040.db2.gz PUWOPNIZNGKNNR-WSNITJDQSA-N 0 1 245.322 2.876 20 0 BFADMN CC(C)NCc1cn([C@@H]2CCC(C)(C)C2)nn1 ZINC000905780746 637911206 /nfs/dbraw/zinc/91/12/06/637911206.db2.gz NJDFFFYCBFYIBU-GFCCVEGCSA-N 0 1 236.363 2.527 20 0 BFADMN CN(Cc1cn(CC2=CCCC2)nn1)C(C)(C)C ZINC000905801365 637933476 /nfs/dbraw/zinc/93/34/76/637933476.db2.gz BGTJIOLQPQGOQS-UHFFFAOYSA-N 0 1 248.374 2.619 20 0 BFADMN Cc1cocc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906174788 638088197 /nfs/dbraw/zinc/08/81/97/638088197.db2.gz DURLAYZWOSJUPQ-ZDUSSCGKSA-N 0 1 243.310 2.860 20 0 BFADMN CCC1(CC)CCN(Cc2cn(C3CC3)nn2)C1 ZINC000906274900 638126473 /nfs/dbraw/zinc/12/64/73/638126473.db2.gz ZNBKHKWBJJWZGJ-UHFFFAOYSA-N 0 1 248.374 2.625 20 0 BFADMN C[C@@H]1CCC[C@@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906269331 638132502 /nfs/dbraw/zinc/13/25/02/638132502.db2.gz LQLJOUKIAUFQHK-VXGBXAGGSA-N 0 1 248.374 2.624 20 0 BFADMN CC(C)N(Cc1cn(C2CC2)nn1)CC1CCC1 ZINC000906299648 638137471 /nfs/dbraw/zinc/13/74/71/638137471.db2.gz RZDHORDITBJYHM-UHFFFAOYSA-N 0 1 248.374 2.624 20 0 BFADMN CCc1nc[nH]c1C(=O)N(C)c1cccc(C)c1 ZINC000906521084 638189883 /nfs/dbraw/zinc/18/98/83/638189883.db2.gz NPXODBRTQCORHV-UHFFFAOYSA-N 0 1 243.310 2.557 20 0 BFADMN CC(C)C(C)(C)C(=O)Nc1cccc2[nH]nnc21 ZINC000908699039 639048922 /nfs/dbraw/zinc/04/89/22/639048922.db2.gz ILSMTKDIVRVLJB-UHFFFAOYSA-N 0 1 246.314 2.579 20 0 BFADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)C(C)C ZINC000037082510 711465454 /nfs/dbraw/zinc/46/54/54/711465454.db2.gz UWUIAMCBRKVEHV-UHFFFAOYSA-N 0 1 221.300 2.615 20 0 BFADMN C[C@H](C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1)C(C)(C)C ZINC000722686441 711465498 /nfs/dbraw/zinc/46/54/98/711465498.db2.gz XYECBNXPYWOIKC-IJLUTSLNSA-N 0 1 241.375 2.711 20 0 BFADMN Cc1cc(CNCc2ccc(C)nc2)c(C)o1 ZINC000163600489 639490014 /nfs/dbraw/zinc/49/00/14/639490014.db2.gz VDHFHPXEJDLXTK-UHFFFAOYSA-N 0 1 230.311 2.890 20 0 BFADMN Fc1ccccc1C1(NCCOC2CC2)CC1 ZINC000930221186 639639267 /nfs/dbraw/zinc/63/92/67/639639267.db2.gz GXIRKKMQKJIHLM-UHFFFAOYSA-N 0 1 235.302 2.583 20 0 BFADMN Cc1ccc(F)c(C[N@@H+](C)CCOC2CC2)c1 ZINC000930261048 639665688 /nfs/dbraw/zinc/66/56/88/639665688.db2.gz CKQRVEJIGQULDW-UHFFFAOYSA-N 0 1 237.318 2.745 20 0 BFADMN Cc1ccc(F)c(CN(C)CCOC2CC2)c1 ZINC000930261048 639665694 /nfs/dbraw/zinc/66/56/94/639665694.db2.gz CKQRVEJIGQULDW-UHFFFAOYSA-N 0 1 237.318 2.745 20 0 BFADMN CCc1onc(C)c1CN1[C@H](C)C[C@@H]1C ZINC000930272262 639675193 /nfs/dbraw/zinc/67/51/93/639675193.db2.gz CVDDVXUHIQGAHW-DTORHVGOSA-N 0 1 208.305 2.528 20 0 BFADMN C[C@@H]1C[C@H](C)N1C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930272137 639675450 /nfs/dbraw/zinc/67/54/50/639675450.db2.gz BBYYIAXZPJGNQV-RGOKHQFPSA-N 0 1 237.265 2.579 20 0 BFADMN CC1=CCCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000930306388 639693734 /nfs/dbraw/zinc/69/37/34/639693734.db2.gz NMPUKHDATVQGAT-QWRGUYRKSA-N 0 1 249.276 2.748 20 0 BFADMN C[C@H](c1ncccn1)N1CCC2(CCC2)CC1 ZINC000930464749 639768736 /nfs/dbraw/zinc/76/87/36/639768736.db2.gz ZGURRNSOIQVVBS-GFCCVEGCSA-N 0 1 231.343 2.804 20 0 BFADMN CCCC[C@@H](C)N(C)Cc1nn(C)cc1C ZINC000930525016 639800355 /nfs/dbraw/zinc/80/03/55/639800355.db2.gz AEYIALGMDLFZBW-GFCCVEGCSA-N 0 1 223.364 2.739 20 0 BFADMN C[C@@H](c1ncccn1)N(C)CCC(C)(C)C ZINC000930818973 639923362 /nfs/dbraw/zinc/92/33/62/639923362.db2.gz QNFXHIRJHUJKMP-NSHDSACASA-N 0 1 221.348 2.906 20 0 BFADMN CC[C@@H]1CN(CCCC(C)(F)F)[C@H](C)CO1 ZINC000930851289 639949300 /nfs/dbraw/zinc/94/93/00/639949300.db2.gz ARDLSSYXWGCPIS-GHMZBOCLSA-N 0 1 235.318 2.921 20 0 BFADMN CC1(C(=O)NOc2ccc(F)cc2)CCCC1 ZINC000912264001 640008571 /nfs/dbraw/zinc/00/85/71/640008571.db2.gz ZCRANAHRVVJYGL-UHFFFAOYSA-N 0 1 237.274 2.816 20 0 BFADMN Cc1cn(C)nc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000931079390 640060670 /nfs/dbraw/zinc/06/06/70/640060670.db2.gz JQQCWQMZPCFHNB-ZFWWWQNUSA-N 0 1 247.386 2.883 20 0 BFADMN C[C@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2nnc[n-]2)C1 ZINC000931141342 640075293 /nfs/dbraw/zinc/07/52/93/640075293.db2.gz WOJSAZDXFBKBLV-AVGNSLFASA-N 0 1 248.374 2.768 20 0 BFADMN C[C@H]1CCC[C@H](C[N@H+]2CCC[C@H]2c2nnc[n-]2)C1 ZINC000931141342 640075300 /nfs/dbraw/zinc/07/53/00/640075300.db2.gz WOJSAZDXFBKBLV-AVGNSLFASA-N 0 1 248.374 2.768 20 0 BFADMN C[C@H]1CC(F)(F)CCN1CCc1ccns1 ZINC000931254242 640115433 /nfs/dbraw/zinc/11/54/33/640115433.db2.gz JPCDOAASGXZXMQ-VIFPVBQESA-N 0 1 246.326 2.805 20 0 BFADMN Cc1nnsc1[C@H](C)N1CCC(C)(F)CC1 ZINC000931504250 640236150 /nfs/dbraw/zinc/23/61/50/640236150.db2.gz NNGGTKGFIFUZJC-VIFPVBQESA-N 0 1 243.351 2.732 20 0 BFADMN Nc1cc[nH+]c2c1C[N@H+](CCC1CCCC1)CC2 ZINC000931512135 640241541 /nfs/dbraw/zinc/24/15/41/640241541.db2.gz DWFDJPDWPMBNJW-UHFFFAOYSA-N 0 1 245.370 2.602 20 0 BFADMN CCCCN(C)Cn1ncc(Cl)c1C ZINC000156499052 640463015 /nfs/dbraw/zinc/46/30/15/640463015.db2.gz HJIFVYDKDWARSX-UHFFFAOYSA-N 0 1 215.728 2.534 20 0 BFADMN Cc1ccc(F)c(CN2CCO[C@H](C)CC2)c1 ZINC000932345156 640488505 /nfs/dbraw/zinc/48/85/05/640488505.db2.gz YUXINJPPIYWFPB-GFCCVEGCSA-N 0 1 237.318 2.745 20 0 BFADMN C=C/C=C\CCN[C@H](c1ncccn1)C1CC1 ZINC000932352262 640496888 /nfs/dbraw/zinc/49/68/88/640496888.db2.gz MIVSSHHFAZPELL-SCOBNMCVSA-N 0 1 229.327 2.650 20 0 BFADMN C=C/C=C\CCN[C@@H](c1ncccn1)C1CC1 ZINC000932352259 640497347 /nfs/dbraw/zinc/49/73/47/640497347.db2.gz MIVSSHHFAZPELL-DHCBQETCSA-N 0 1 229.327 2.650 20 0 BFADMN Cl/C=C\CN[C@H](c1ccccn1)C1CC1 ZINC000932375194 640503396 /nfs/dbraw/zinc/50/33/96/640503396.db2.gz LIOOVBXGVBQRDH-MIBUCLJRSA-N 0 1 222.719 2.875 20 0 BFADMN CC[C@@H](CC(F)F)CN1CCn2cccc2C1 ZINC000932526307 640566426 /nfs/dbraw/zinc/56/64/26/640566426.db2.gz JKHQLHRKTZULOZ-NSHDSACASA-N 0 1 242.313 2.985 20 0 BFADMN CC[C@H](CC(F)F)CN1CCn2cccc2C1 ZINC000932526306 640567580 /nfs/dbraw/zinc/56/75/80/640567580.db2.gz JKHQLHRKTZULOZ-LLVKDONJSA-N 0 1 242.313 2.985 20 0 BFADMN Cc1ccccc1CN1CCn2cccc2C1 ZINC000932531217 640573330 /nfs/dbraw/zinc/57/33/30/640573330.db2.gz UGGVIXVULIOSPQ-UHFFFAOYSA-N 0 1 226.323 2.812 20 0 BFADMN CSCC1CCN(C/C=C/Cl)CC1 ZINC000932590242 640580536 /nfs/dbraw/zinc/58/05/36/640580536.db2.gz WMZQCDKJNMIGAT-GORDUTHDSA-N 0 1 219.781 2.814 20 0 BFADMN CC1CC(CN2CCn3nc(C4CC4)cc3C2)C1 ZINC000932601681 640583491 /nfs/dbraw/zinc/58/34/91/640583491.db2.gz VLZADTUICJXMEI-UHFFFAOYSA-N 0 1 245.370 2.622 20 0 BFADMN CC(F)(F)CCCN1CCOC[C@H]1CC1CC1 ZINC000933201214 640676009 /nfs/dbraw/zinc/67/60/09/640676009.db2.gz AGGYIEGIDLJNAB-GFCCVEGCSA-N 0 1 247.329 2.923 20 0 BFADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)nn1 ZINC000167403635 640717196 /nfs/dbraw/zinc/71/71/96/640717196.db2.gz VYQAQLUXXICVFD-VHSXEESVSA-N 0 1 239.750 2.750 20 0 BFADMN CC[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)nn1 ZINC000167413478 640720499 /nfs/dbraw/zinc/72/04/99/640720499.db2.gz LXHNPWOBFHREJR-GXSJLCMTSA-N 0 1 239.750 2.893 20 0 BFADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1cccnc1 ZINC000226801352 640798091 /nfs/dbraw/zinc/79/80/91/640798091.db2.gz XOUCXLTVZFBMGF-BXUZGUMPSA-N 0 1 239.322 2.815 20 0 BFADMN Fc1cccc(CN[C@H]2CCc3cccnc32)c1 ZINC000226803137 640798552 /nfs/dbraw/zinc/79/85/52/640798552.db2.gz GLWFXDWDYVWTNY-AWEZNQCLSA-N 0 1 242.297 2.998 20 0 BFADMN C[C@H]1CC[C@@H](CN(Cc2ccoc2)C2CC2)O1 ZINC000934002344 640804252 /nfs/dbraw/zinc/80/42/52/640804252.db2.gz SILKQWRKCDFARB-FZMZJTMJSA-N 0 1 235.327 2.812 20 0 BFADMN CCSCCN(Cc1ccoc1)C1CC1 ZINC000934002717 640804490 /nfs/dbraw/zinc/80/44/90/640804490.db2.gz WUBJEGOIPKBXJF-UHFFFAOYSA-N 0 1 225.357 2.997 20 0 BFADMN C[C@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000227542612 640838443 /nfs/dbraw/zinc/83/84/43/640838443.db2.gz CQLMQQOWFCKRGT-YNEHKIRRSA-N 0 1 239.359 2.609 20 0 BFADMN C/C(=C\C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000228034844 640856258 /nfs/dbraw/zinc/85/62/58/640856258.db2.gz RUCFWFIIIXQGNI-MLHLWSAZSA-N 0 1 225.332 2.528 20 0 BFADMN CC[C@H]1CCC[N@@H+](CCC(C)(C)C(=O)[O-])CC1 ZINC000087591812 640935950 /nfs/dbraw/zinc/93/59/50/640935950.db2.gz RUKVLYDADYAPJZ-LBPRGKRZSA-N 0 1 241.375 2.999 20 0 BFADMN CCCCOC(=O)CN1CCCC(C)(C)CC1 ZINC000087658252 640959461 /nfs/dbraw/zinc/95/94/61/640959461.db2.gz SZQGVJQYBOUMHT-UHFFFAOYSA-N 0 1 241.375 2.842 20 0 BFADMN CC[C@H](C)CN(C)Cn1c2ccccc2oc1=O ZINC000171890599 641021491 /nfs/dbraw/zinc/02/14/91/641021491.db2.gz FDTPIMZRXVAAQZ-NSHDSACASA-N 0 1 248.326 2.530 20 0 BFADMN CCCCC1(N[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000934200423 641099213 /nfs/dbraw/zinc/09/92/13/641099213.db2.gz HZGNZVPTCIQSQK-JTQLQIEISA-N 0 1 236.363 2.741 20 0 BFADMN CCCCC1(NCc2ncnn2CCC)CC1 ZINC000934202727 641101366 /nfs/dbraw/zinc/10/13/66/641101366.db2.gz KXNJEJKYAIJCKR-UHFFFAOYSA-N 0 1 236.363 2.501 20 0 BFADMN CCCCCC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062877003 641104352 /nfs/dbraw/zinc/10/43/52/641104352.db2.gz UBYBRVQWAMOBHT-ZDUSSCGKSA-N 0 1 227.348 2.753 20 0 BFADMN Cc1nc(CN[C@@H](C)Cc2cccnc2)cs1 ZINC000934234184 641111334 /nfs/dbraw/zinc/11/13/34/641111334.db2.gz NJJQUYZGFGJIHQ-JTQLQIEISA-N 0 1 247.367 2.567 20 0 BFADMN CCCCC[C@@H](C)CC(=O)Nc1nnc(C)[nH]1 ZINC000173060796 641142114 /nfs/dbraw/zinc/14/21/14/641142114.db2.gz OAWSRXVVNQCESY-SECBINFHSA-N 0 1 238.335 2.658 20 0 BFADMN C[C@]1(C2CC2)COCCN1Cc1ccsc1 ZINC000934476040 641167507 /nfs/dbraw/zinc/16/75/07/641167507.db2.gz RAVMURYRSGREHI-CYBMUJFWSA-N 0 1 237.368 2.749 20 0 BFADMN CCCCN(CC)CN1C[C@@H](CCC)CC1=O ZINC000173303575 641169894 /nfs/dbraw/zinc/16/98/94/641169894.db2.gz CQXXZRADUQHWOA-ZDUSSCGKSA-N 0 1 240.391 2.715 20 0 BFADMN CC(C)N1CCC[C@H]1C(=O)Nc1ccsc1 ZINC000933045473 641204070 /nfs/dbraw/zinc/20/40/70/641204070.db2.gz OEDFZNFWVAHFKS-NSHDSACASA-N 0 1 238.356 2.559 20 0 BFADMN C[C@@H]1CCC[C@H](CCN2CC[C@H](O)[C@H](F)C2)C1 ZINC000934577263 641207528 /nfs/dbraw/zinc/20/75/28/641207528.db2.gz WHTDJKSQBSCBTA-SYQHCUMBSA-N 0 1 243.366 2.608 20 0 BFADMN C[C@H]1CC[C@H](C)N1C(=O)c1cccc(F)c1O ZINC000934581915 641209341 /nfs/dbraw/zinc/20/93/41/641209341.db2.gz NQUGHDKNISSMJU-IUCAKERBSA-N 0 1 237.274 2.544 20 0 BFADMN CSCC(C)(C)NCc1ncccc1Cl ZINC000934662551 641236801 /nfs/dbraw/zinc/23/68/01/641236801.db2.gz GARVSVYABBLRLO-UHFFFAOYSA-N 0 1 244.791 2.966 20 0 BFADMN CCc1nc(CNC(C)(C)CSC)cs1 ZINC000934676756 641244901 /nfs/dbraw/zinc/24/49/01/641244901.db2.gz LBHLSSSVZVJAEQ-UHFFFAOYSA-N 0 1 244.429 2.937 20 0 BFADMN c1cc(CN[C@H](c2ccncc2)C2CC2)sn1 ZINC000934701979 641250588 /nfs/dbraw/zinc/25/05/88/641250588.db2.gz UVAMXJXSAFLWOD-ZDUSSCGKSA-N 0 1 245.351 2.779 20 0 BFADMN CC(C)C[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC000232449615 641272100 /nfs/dbraw/zinc/27/21/00/641272100.db2.gz JEDYOOSYRQCQRT-UHFFFAOYSA-N 0 1 211.280 2.619 20 0 BFADMN CC(C)C[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC000232449615 641272112 /nfs/dbraw/zinc/27/21/12/641272112.db2.gz JEDYOOSYRQCQRT-UHFFFAOYSA-N 0 1 211.280 2.619 20 0 BFADMN CCCC[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC000232449524 641272174 /nfs/dbraw/zinc/27/21/74/641272174.db2.gz DQMYNSOYZMCHET-UHFFFAOYSA-N 0 1 211.280 2.763 20 0 BFADMN CCCC[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC000232449524 641272181 /nfs/dbraw/zinc/27/21/81/641272181.db2.gz DQMYNSOYZMCHET-UHFFFAOYSA-N 0 1 211.280 2.763 20 0 BFADMN C[C@H]1CCCC[N@@H+]1Cc1ccc([O-])c(F)c1 ZINC000232449576 641273173 /nfs/dbraw/zinc/27/31/73/641273173.db2.gz CZTVLCOXGWFBGW-JTQLQIEISA-N 0 1 223.291 2.906 20 0 BFADMN C[C@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1 ZINC000232449576 641273179 /nfs/dbraw/zinc/27/31/79/641273179.db2.gz CZTVLCOXGWFBGW-JTQLQIEISA-N 0 1 223.291 2.906 20 0 BFADMN C[C@@H](C[N@@H+]1CC[C@@H](C)C1)C(=O)c1ccc([O-])cc1 ZINC000929462263 641324930 /nfs/dbraw/zinc/32/49/30/641324930.db2.gz RAIIDAYJKUHNMU-NEPJUHHUSA-N 0 1 247.338 2.553 20 0 BFADMN C[C@@H](C[N@H+]1CC[C@@H](C)C1)C(=O)c1ccc([O-])cc1 ZINC000929462263 641324938 /nfs/dbraw/zinc/32/49/38/641324938.db2.gz RAIIDAYJKUHNMU-NEPJUHHUSA-N 0 1 247.338 2.553 20 0 BFADMN C[C@@H](NC[C@H](O)c1ccco1)c1ccccc1F ZINC000088264572 641330198 /nfs/dbraw/zinc/33/01/98/641330198.db2.gz YMJYFUNKNMXBHP-MFKMUULPSA-N 0 1 249.285 2.803 20 0 BFADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nncs1 ZINC000929717223 641417515 /nfs/dbraw/zinc/41/75/15/641417515.db2.gz ALYKJYWDVOBUFG-VWYCJHECSA-N 0 1 237.372 2.691 20 0 BFADMN O[C@H](c1ccccc1)[C@@H]1CCCCN1CCF ZINC000759330744 641419498 /nfs/dbraw/zinc/41/94/98/641419498.db2.gz BAZAPIPHRXRCSM-UONOGXRCSA-N 0 1 237.318 2.544 20 0 BFADMN CCc1nc[nH]c1C(=O)Nc1ccsc1C ZINC000913666995 641452708 /nfs/dbraw/zinc/45/27/08/641452708.db2.gz RZZMRPBQWQUIAW-UHFFFAOYSA-N 0 1 235.312 2.594 20 0 BFADMN CC[C@H]1C[C@H](C)CN1Cc1c(F)cncc1F ZINC000929764271 641506664 /nfs/dbraw/zinc/50/66/64/641506664.db2.gz SADYCPLPNXTMGT-UWVGGRQHSA-N 0 1 240.297 2.980 20 0 BFADMN CC(C)[C@@H](N)c1noc(CCc2ccccc2)n1 ZINC000041123382 641542847 /nfs/dbraw/zinc/54/28/47/641542847.db2.gz HQMHQZOLMLINDM-CYBMUJFWSA-N 0 1 245.326 2.511 20 0 BFADMN CC(C)[C@H](N)c1noc(-c2ccc(F)cc2)n1 ZINC000041123590 641543011 /nfs/dbraw/zinc/54/30/11/641543011.db2.gz WMYFHGJCAJGEKA-JTQLQIEISA-N 0 1 235.262 2.532 20 0 BFADMN CCCOC(=O)[C@H](C)N(C1CC1)C1CCCC1 ZINC000159046834 641662325 /nfs/dbraw/zinc/66/23/25/641662325.db2.gz OJRVFGNADZSOOS-NSHDSACASA-N 0 1 239.359 2.735 20 0 BFADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000924003237 641734973 /nfs/dbraw/zinc/73/49/73/641734973.db2.gz JMTSLSAWZQJIIM-SNVBAGLBSA-N 0 1 247.298 2.875 20 0 BFADMN N#Cc1ccc(O)c(NC(=O)C2=CCCCC2)c1 ZINC000188646017 641764388 /nfs/dbraw/zinc/76/43/88/641764388.db2.gz LQJRLJKSGOJCIT-UHFFFAOYSA-N 0 1 242.278 2.703 20 0 BFADMN O=C1SCCN1CN(C1CC1)C1CCCC1 ZINC000075666841 641767541 /nfs/dbraw/zinc/76/75/41/641767541.db2.gz VYDMJVCSXXBZAR-UHFFFAOYSA-N 0 1 240.372 2.520 20 0 BFADMN CC(C)C(N)=NOCc1cc(Cl)ccc1F ZINC000189353835 641804725 /nfs/dbraw/zinc/80/47/25/641804725.db2.gz OIMGCUPMAFBQLM-UHFFFAOYSA-N 0 1 244.697 2.924 20 0 BFADMN CCCCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000153552806 641818209 /nfs/dbraw/zinc/81/82/09/641818209.db2.gz JOQOCGDFLJJAOL-UHFFFAOYSA-N 0 1 246.314 2.867 20 0 BFADMN C[C@H]1CCC[C@@H](C[N@@H+](CCC(=O)[O-])C2CC2)C1 ZINC000089627550 641895489 /nfs/dbraw/zinc/89/54/89/641895489.db2.gz WDXUTYROADRNRS-NWDGAFQWSA-N 0 1 239.359 2.752 20 0 BFADMN CCCCN1C(=O)N=NC1S[C@H](C)C1CC1 ZINC000916095877 641902554 /nfs/dbraw/zinc/90/25/54/641902554.db2.gz MTTWIKUUXSQUEI-MRVPVSSYSA-N 0 1 241.360 2.674 20 0 BFADMN C=CC[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000191533796 641929303 /nfs/dbraw/zinc/92/93/03/641929303.db2.gz LRSWBYWXZWCRNQ-UHFFFAOYSA-N 0 1 229.682 2.803 20 0 BFADMN Cc1cc(C)c(CN2CC(O)(C(C)C)C2)c(C)c1 ZINC000089677086 641947408 /nfs/dbraw/zinc/94/74/08/641947408.db2.gz LMPHIYUVJOBUAI-UHFFFAOYSA-N 0 1 247.382 2.815 20 0 BFADMN CCCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000919329321 642327740 /nfs/dbraw/zinc/32/77/40/642327740.db2.gz WKOLBFYYIKLFPD-UHFFFAOYSA-N 0 1 248.282 2.935 20 0 BFADMN Cc1nonc1CNC(C)(C)CC(C)(C)C ZINC000069795070 642410763 /nfs/dbraw/zinc/41/07/63/642410763.db2.gz RZWDRXQTUKYGDQ-UHFFFAOYSA-N 0 1 225.336 2.682 20 0 BFADMN CCn1cnc2c1CCN(CC1CC(C)(C)C1)C2 ZINC000933252453 642421218 /nfs/dbraw/zinc/42/12/18/642421218.db2.gz CLWXRUXFKJHQBI-UHFFFAOYSA-N 0 1 247.386 2.697 20 0 BFADMN CCn1cnc2c1CCN(C[C@@H](C)C(C)(C)C)C2 ZINC000933254218 642426399 /nfs/dbraw/zinc/42/63/99/642426399.db2.gz YUOBBVYXVUFQSW-GFCCVEGCSA-N 0 1 249.402 2.943 20 0 BFADMN CC1=C(C)C[C@](C)(C(=O)NCc2cnc[nH]2)CC1 ZINC000933265758 642436900 /nfs/dbraw/zinc/43/69/00/642436900.db2.gz IIMAWTBJEPIMDD-CQSZACIVSA-N 0 1 247.342 2.553 20 0 BFADMN Cc1nc(CN2CCC23CCCC3)oc1C ZINC000649656267 642684264 /nfs/dbraw/zinc/68/42/64/642684264.db2.gz GMQGYYVXLIGCJR-UHFFFAOYSA-N 0 1 220.316 2.810 20 0 BFADMN Cc1cc(O)c(CN2CCOCC2(C)C)cc1C ZINC000068872764 642804878 /nfs/dbraw/zinc/80/48/78/642804878.db2.gz SCBFELGALRLMBX-UHFFFAOYSA-N 0 1 249.354 2.620 20 0 BFADMN CC(C)C[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000181571425 642884151 /nfs/dbraw/zinc/88/41/51/642884151.db2.gz VRSUXWLJYFGNIO-ZDUSSCGKSA-N 0 1 241.375 2.999 20 0 BFADMN CC[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000070565416 643036773 /nfs/dbraw/zinc/03/67/73/643036773.db2.gz NXJSSFIKRTVIFC-IJLUTSLNSA-N 0 1 225.332 2.504 20 0 BFADMN CC[C@@H](NC[C@H]1CCC=CO1)c1nccs1 ZINC000070717141 643064559 /nfs/dbraw/zinc/06/45/59/643064559.db2.gz HUIDPOLEAGTORN-GHMZBOCLSA-N 0 1 238.356 2.877 20 0 BFADMN CC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000070977038 643088722 /nfs/dbraw/zinc/08/87/22/643088722.db2.gz OJDKNIMOIIGAJB-CYBMUJFWSA-N 0 1 235.302 2.627 20 0 BFADMN CCc1ccc(-c2nc([C@@H]3CCCN3)no2)s1 ZINC000071396754 643140256 /nfs/dbraw/zinc/14/02/56/643140256.db2.gz XONCFFWDXUWVJJ-VIFPVBQESA-N 0 1 249.339 2.785 20 0 BFADMN 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O=C([O-])[C@H]1CCC[N@H+]1C1CCCCCCC1 ZINC000083403753 643447946 /nfs/dbraw/zinc/44/79/46/643447946.db2.gz ZSCWYUVDZVXCFB-GFCCVEGCSA-N 0 1 225.332 2.648 20 0 BFADMN CC(C)CC[N@@H+](CCC(=O)[O-])C1CCCC1 ZINC000071738908 643468476 /nfs/dbraw/zinc/46/84/76/643468476.db2.gz YIOMDSAKDWQTRE-UHFFFAOYSA-N 0 1 227.348 2.752 20 0 BFADMN CCCCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000049842198 643474628 /nfs/dbraw/zinc/47/46/28/643474628.db2.gz UOULENZLOJRYGC-GFCCVEGCSA-N 0 1 227.348 2.753 20 0 BFADMN CCCCOC(=O)[C@@H](C)N(CC)CCCC ZINC000741781224 643479895 /nfs/dbraw/zinc/47/98/95/643479895.db2.gz RCGIWUHOKZDPKO-GFCCVEGCSA-N 0 1 229.364 2.840 20 0 BFADMN CCC(N)=NOCc1ccc2c(c1)CCC2 ZINC000734484035 643498158 /nfs/dbraw/zinc/49/81/58/643498158.db2.gz RKVJVYBDJYBUAU-UHFFFAOYSA-N 0 1 218.300 2.584 20 0 BFADMN CCCC[C@@H](C(=O)OC)N1CCC(C)=C(C)C1 ZINC000382483725 643503863 /nfs/dbraw/zinc/50/38/63/643503863.db2.gz RWRLWGZWYMCLCX-ZDUSSCGKSA-N 0 1 239.359 2.760 20 0 BFADMN CC(C)CCN(C)CN1C(=O)C(C)(C)C1(C)C 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GJANZUXIAJFDSN-UHFFFAOYSA-N 0 1 247.298 2.521 20 0 BFADMN Cc1[nH+]c(NC2CC(C)(C)C2)ccc1C(=O)[O-] ZINC000395194221 711205024 /nfs/dbraw/zinc/20/50/24/711205024.db2.gz BSOGVHUWHUNOSY-UHFFFAOYSA-N 0 1 234.299 2.689 20 0 BFADMN Cc1cc(C)c(CNCc2ccoc2)cn1 ZINC000397326609 711380148 /nfs/dbraw/zinc/38/01/48/711380148.db2.gz AGNIZUSIWCGFKI-UHFFFAOYSA-N 0 1 216.284 2.581 20 0 BFADMN CC1(C)CCCC[C@@H]1NCc1cnsn1 ZINC000399773843 711433887 /nfs/dbraw/zinc/43/38/87/711433887.db2.gz GXXKNZCTZSNOQP-JTQLQIEISA-N 0 1 225.361 2.597 20 0 BFADMN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000722667166 711463536 /nfs/dbraw/zinc/46/35/36/711463536.db2.gz XWJVKMHSGHNXOJ-TZMCWYRMSA-N 0 1 247.338 2.538 20 0 BFADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000723060834 711498406 /nfs/dbraw/zinc/49/84/06/711498406.db2.gz PQKOVAATHBSKAM-XQQFMLRXSA-N 0 1 239.359 2.609 20 0 BFADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000723058867 711498449 /nfs/dbraw/zinc/49/84/49/711498449.db2.gz BRCRVUNJYCGLLF-MBNYWOFBSA-N 0 1 239.359 2.609 20 0 BFADMN CCC(F)(F)CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723626338 711526948 /nfs/dbraw/zinc/52/69/48/711526948.db2.gz ANOWGGBAAPMCJN-GRYCIOLGSA-N 0 1 247.329 2.827 20 0 BFADMN Cc1nc(C)c(CNC2(C)CC(F)(F)C2)o1 ZINC000723636065 711528130 /nfs/dbraw/zinc/52/81/30/711528130.db2.gz JUBXTLQLTHSGFO-UHFFFAOYSA-N 0 1 230.258 2.569 20 0 BFADMN Cc1cn(C)nc1CNC(C)(C)c1ccccc1 ZINC000723943215 711546215 /nfs/dbraw/zinc/54/62/15/711546215.db2.gz WIECAIIKYCWAKG-UHFFFAOYSA-N 0 1 243.354 2.753 20 0 BFADMN CCCCCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000309130431 711592540 /nfs/dbraw/zinc/59/25/40/711592540.db2.gz FMLCKZKWMOOKPV-NWDGAFQWSA-N 0 1 227.348 2.609 20 0 BFADMN Cc1nc(C)c(CN2CCC(C(F)F)CC2)[nH]1 ZINC000724791466 711614513 /nfs/dbraw/zinc/61/45/13/711614513.db2.gz MVBPHFAWVFHNLE-UHFFFAOYSA-N 0 1 243.301 2.504 20 0 BFADMN CC[C@@H]1CC[C@H](C)N1c1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000136210089 711690771 /nfs/dbraw/zinc/69/07/71/711690771.db2.gz TUYQYTQOIOQKBX-GXSJLCMTSA-N 0 1 248.326 2.856 20 0 BFADMN CC(C)[C@@H]1CCCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000395715868 711697050 /nfs/dbraw/zinc/69/70/50/711697050.db2.gz GJSNEAMWHGIQDV-LBPRGKRZSA-N 0 1 241.375 2.998 20 0 BFADMN CC[C@H]1CC[C@H](C)[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000136682835 711731472 /nfs/dbraw/zinc/73/14/72/711731472.db2.gz LJZBORVKYBURLO-QWRGUYRKSA-N 0 1 227.348 2.750 20 0 BFADMN Cc1[nH+]c(N2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1C(=O)[O-] ZINC000399677659 711758646 /nfs/dbraw/zinc/75/86/46/711758646.db2.gz PIMQXYJDISUHPO-NGZCFLSTSA-N 0 1 248.326 2.569 20 0 BFADMN CC(C)CN(Cn1cc(Cl)cn1)C1CC1 ZINC000128416170 711802473 /nfs/dbraw/zinc/80/24/73/711802473.db2.gz XAGOFVDFSNCDHI-UHFFFAOYSA-N 0 1 227.739 2.614 20 0 BFADMN C#CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000140527347 711955598 /nfs/dbraw/zinc/95/55/98/711955598.db2.gz LTRBZZMXRCRQSD-CYBMUJFWSA-N 0 1 233.742 2.980 20 0 BFADMN Cc1cnc(CNC[C@]2(C)CC2(C)C)o1 ZINC000700401805 711992527 /nfs/dbraw/zinc/99/25/27/711992527.db2.gz BJWLSEFDGCBBJM-LBPRGKRZSA-N 0 1 208.305 2.509 20 0 BFADMN CC(C)CCC[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000701468332 712024512 /nfs/dbraw/zinc/02/45/12/712024512.db2.gz RAIFSCMVJFLCDC-TZMCWYRMSA-N 0 1 239.359 2.609 20 0 BFADMN COc1cccc2cc(CN[C@@H](C)CF)oc21 ZINC000702565280 712055883 /nfs/dbraw/zinc/05/58/83/712055883.db2.gz UVGOOJGAUJDGIS-VIFPVBQESA-N 0 1 237.274 2.889 20 0 BFADMN CCc1nnc(CN[C@H]2CC23CCCC3)s1 ZINC000702682206 712059111 /nfs/dbraw/zinc/05/91/11/712059111.db2.gz NMNNVJNMEDIAGS-VIFPVBQESA-N 0 1 237.372 2.523 20 0 BFADMN CCc1nnc(CN[C@]2(C)CC=CCC2)s1 ZINC000702676121 712059506 /nfs/dbraw/zinc/05/95/06/712059506.db2.gz HIBOYXXXUBPXGJ-GFCCVEGCSA-N 0 1 237.372 2.689 20 0 BFADMN CC(C)(CC[N@H+]1CCCC(F)(F)CC1)C(=O)[O-] ZINC000702798194 712060740 /nfs/dbraw/zinc/06/07/40/712060740.db2.gz ZRSJARXOWVCGLS-UHFFFAOYSA-N 0 1 249.301 2.609 20 0 BFADMN FC(F)(F)CCNCc1ccc(Cl)cn1 ZINC000703905735 712093167 /nfs/dbraw/zinc/09/31/67/712093167.db2.gz KCLYJTODULCBPA-UHFFFAOYSA-N 0 1 238.640 2.777 20 0 BFADMN Cc1cccc(NCC[C@@H]2CCSC2)n1 ZINC000704846466 712118909 /nfs/dbraw/zinc/11/89/09/712118909.db2.gz SDDPZKKCLYPRSY-LLVKDONJSA-N 0 1 222.357 2.945 20 0 BFADMN C[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)nn1 ZINC000706469084 712146888 /nfs/dbraw/zinc/14/68/88/712146888.db2.gz RJHZKECGRHJZBK-DTORHVGOSA-N 0 1 225.723 2.503 20 0 BFADMN C[C@@H](CN[C@@H](C)c1ncn(C)n1)CC(C)(C)C ZINC000709077563 712207757 /nfs/dbraw/zinc/20/77/57/712207757.db2.gz SLZKQAFSNGBJLC-MNOVXSKESA-N 0 1 238.379 2.538 20 0 BFADMN Cc1cccc(NCCc2ccns2)n1 ZINC000709995977 712238865 /nfs/dbraw/zinc/23/88/65/712238865.db2.gz IHMDYVKGSYMMQC-UHFFFAOYSA-N 0 1 219.313 2.501 20 0 BFADMN C[C@@H](NCCSC(C)(C)C)c1cn(C)cn1 ZINC000710006712 712239223 /nfs/dbraw/zinc/23/92/23/712239223.db2.gz XHZDCNNAKNZCFM-SNVBAGLBSA-N 0 1 241.404 2.602 20 0 BFADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cn(C)cn1 ZINC000710006240 712239397 /nfs/dbraw/zinc/23/93/97/712239397.db2.gz KUMRVGDGPZRPFU-NWDGAFQWSA-N 0 1 229.327 2.832 20 0 BFADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711391212 712297194 /nfs/dbraw/zinc/29/71/94/712297194.db2.gz BENXKZCXIDSYAB-DTWKUNHWSA-N 0 1 239.340 2.677 20 0 BFADMN CC(C)(C)[C@@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000711592779 712311206 /nfs/dbraw/zinc/31/12/06/712311206.db2.gz GPDYFEVXKUDVDF-RKDXNWHRSA-N 0 1 235.331 2.557 20 0 BFADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCC1CCC1)CC2 ZINC000711619058 712313080 /nfs/dbraw/zinc/31/30/80/712313080.db2.gz DRFNPTGIYAXZQC-OCCSQVGLSA-N 0 1 237.343 2.506 20 0 BFADMN CC(C)c1cc(=O)n(-c2ccc(F)c(F)c2)[nH]1 ZINC000607716394 712353145 /nfs/dbraw/zinc/35/31/45/712353145.db2.gz XLXKETCXNRIXCI-UHFFFAOYSA-N 0 1 238.237 2.714 20 0 BFADMN CCCCOC(=O)CN(CC)[C@H](C)C(C)C ZINC000065299411 712382141 /nfs/dbraw/zinc/38/21/41/712382141.db2.gz YUNAYDCAZPSIPQ-GFCCVEGCSA-N 0 1 229.364 2.696 20 0 BFADMN CC[C@H](NC(=O)C=C(C)C(C)(C)C)c1ncc[nH]1 ZINC000781993065 712417211 /nfs/dbraw/zinc/41/72/11/712417211.db2.gz WLDYDFCSGNSDDD-JUDLJHIGSA-N 0 1 249.358 2.969 20 0 BFADMN c1ccc(CNc2ccc3c(n2)CCCC3)nc1 ZINC000712364880 712427855 /nfs/dbraw/zinc/42/78/55/712427855.db2.gz SLPWNWVKMOGPAI-UHFFFAOYSA-N 0 1 239.322 2.968 20 0 BFADMN CC(C)n1ncnc1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712486865 712431490 /nfs/dbraw/zinc/43/14/90/712431490.db2.gz IMEJFQMOZFQDHN-RWMBFGLXSA-N 0 1 248.374 2.527 20 0 BFADMN C=C/C=C\CC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000713726903 712469883 /nfs/dbraw/zinc/46/98/83/712469883.db2.gz YFNJRGSIXQEZQH-PLNGDYQASA-N 0 1 245.322 2.949 20 0 BFADMN C=C/C=C/CC[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000713710818 712470201 /nfs/dbraw/zinc/47/02/01/712470201.db2.gz JEECYGHJLVTIRQ-ITDFMYJTSA-N 0 1 237.343 2.838 20 0 BFADMN C=C/C=C\CC[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000713710817 712470220 /nfs/dbraw/zinc/47/02/20/712470220.db2.gz JEECYGHJLVTIRQ-DHCBQETCSA-N 0 1 237.343 2.838 20 0 BFADMN CCCn1cc(CNCCC2=CCCCC2)nn1 ZINC000714506691 712493182 /nfs/dbraw/zinc/49/31/82/712493182.db2.gz HYNPGFKOGSFBIV-UHFFFAOYSA-N 0 1 248.374 2.668 20 0 BFADMN C[C@@H](NCCOC1CC1)c1cccc(F)c1F ZINC000714972520 712503227 /nfs/dbraw/zinc/50/32/27/712503227.db2.gz MORAMTWUAFXHHP-SECBINFHSA-N 0 1 241.281 2.794 20 0 BFADMN CCCCC[C@H](C)NCc1csnn1 ZINC000036902233 712513754 /nfs/dbraw/zinc/51/37/54/712513754.db2.gz WRUJKRDXUDYLRK-VIFPVBQESA-N 0 1 213.350 2.597 20 0 BFADMN C(NCC1CC1)c1nc(C2CCCCC2)no1 ZINC000036884582 712514412 /nfs/dbraw/zinc/51/44/12/712514412.db2.gz GIHJRPOFKZOPSQ-UHFFFAOYSA-N 0 1 235.331 2.617 20 0 BFADMN CC[C@@H](NCc1cc[nH]n1)c1ccc(C)cc1 ZINC000037048224 712531488 /nfs/dbraw/zinc/53/14/88/712531488.db2.gz SLJKOQSLHQNGEW-CQSZACIVSA-N 0 1 229.327 2.959 20 0 BFADMN CCCn1cc([C@H](C)NC2CC(C)(C)C2)nn1 ZINC000715856898 712537094 /nfs/dbraw/zinc/53/70/94/712537094.db2.gz BOGHMIPGVVRMHZ-JTQLQIEISA-N 0 1 236.363 2.527 20 0 BFADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000037092952 712537634 /nfs/dbraw/zinc/53/76/34/712537634.db2.gz GGFAGZHSIKSPBL-UHFFFAOYSA-N 0 1 233.311 2.759 20 0 BFADMN CCCn1cc([C@H](C)NC2CC3(CCC3)C2)nn1 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XXQRQZFLRNELFX-UHFFFAOYSA-N 0 1 231.339 2.614 20 0 BFADMN Cc1nc(CN2CCC[C@@H]3C[C@@H]32)sc1C ZINC001144375247 972791222 /nfs/dbraw/zinc/79/12/22/972791222.db2.gz NMTDRHNLNDLVSZ-MNOVXSKESA-N 0 1 222.357 2.744 20 0 BFADMN C[C@@H]1CC[C@@H](C)[C@H](OCc2cnc[nH]2)C1 ZINC001222999657 972791843 /nfs/dbraw/zinc/79/18/43/972791843.db2.gz DQESUDYKPFSOJN-CKYFFXLPSA-N 0 1 208.305 2.751 20 0 BFADMN C[C@H](OCc1cnc[nH]1)c1cccc(N(C)C)c1 ZINC001223008393 972805771 /nfs/dbraw/zinc/80/57/71/972805771.db2.gz YBDQFVXHMZAEKB-NSHDSACASA-N 0 1 245.326 2.754 20 0 BFADMN CCCCC[N@@H+](C)Cc1ccc(OC)cn1 ZINC001144419854 972813142 /nfs/dbraw/zinc/81/31/42/972813142.db2.gz KJAXIIUFGNTESO-UHFFFAOYSA-N 0 1 222.332 2.712 20 0 BFADMN Cc1cc(CNc2cncc3c2CCCC3)n[nH]1 ZINC001327930477 972815385 /nfs/dbraw/zinc/81/53/85/972815385.db2.gz NSQNAGGIYZJILV-UHFFFAOYSA-N 0 1 242.326 2.604 20 0 BFADMN COc1ncc(CN2CCCC[C@@H]2C)cc1F ZINC001144450897 972826549 /nfs/dbraw/zinc/82/65/49/972826549.db2.gz ITEMAUVKZQADSZ-JTQLQIEISA-N 0 1 238.306 2.604 20 0 BFADMN COc1cc(Cl)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001144480980 972839167 /nfs/dbraw/zinc/83/91/67/972839167.db2.gz OIYWIRHRFVNEBE-PHIMTYICSA-N 0 1 237.730 2.800 20 0 BFADMN Cc1ccccc1CCCSCc1nnc[nH]1 ZINC001328037843 972858283 /nfs/dbraw/zinc/85/82/83/972858283.db2.gz HNHPWAQZHINUFB-UHFFFAOYSA-N 0 1 247.367 2.979 20 0 BFADMN CC1CC([N@@H+](C)Cc2cc(F)c([O-])cc2F)C1 ZINC001144647919 972906609 /nfs/dbraw/zinc/90/66/09/972906609.db2.gz OWHQGWJUJWQILZ-UHFFFAOYSA-N 0 1 241.281 2.901 20 0 BFADMN C[C@@H]1CCN1Cc1ccc2scnc2c1 ZINC001144732366 972971413 /nfs/dbraw/zinc/97/14/13/972971413.db2.gz CBASSMJQPLSDPG-SECBINFHSA-N 0 1 218.325 2.891 20 0 BFADMN COC[C@H]1CCN1Cc1ccc2scnc2c1 ZINC001144744623 972979643 /nfs/dbraw/zinc/97/96/43/972979643.db2.gz BQLWKOCZEIJXHB-LLVKDONJSA-N 0 1 248.351 2.517 20 0 BFADMN CCC[C@@H](C)N(C)C(=O)c1cnc(C(C)C)[nH]1 ZINC001328763689 973337514 /nfs/dbraw/zinc/33/75/14/973337514.db2.gz XQYJHXWQLFUAQC-SNVBAGLBSA-N 0 1 237.347 2.794 20 0 BFADMN CCCCC(CCCC)[N@@H+]1CC[C@H]1NC ZINC001246899624 973375564 /nfs/dbraw/zinc/37/55/64/973375564.db2.gz QAYNNIIWEOREPF-ZDUSSCGKSA-N 0 1 212.381 2.987 20 0 BFADMN O=C([O-])C[N@@H+](C[C@@H]1CC=CCC1)C1CCCC1 ZINC000402223294 973603724 /nfs/dbraw/zinc/60/37/24/973603724.db2.gz UDOJIKVZNJDTGT-GFCCVEGCSA-N 0 1 237.343 2.672 20 0 BFADMN CC(C)c1[nH+]ccn1CC1(C(=O)[O-])CCCC1 ZINC000405144630 973769416 /nfs/dbraw/zinc/76/94/16/973769416.db2.gz VVBXOPGDLPTJKC-UHFFFAOYSA-N 0 1 236.315 2.652 20 0 BFADMN CC(C)c1ncc(C(=O)N(C)C[C@H]2CC2(C)C)[nH]1 ZINC001329444523 973778570 /nfs/dbraw/zinc/77/85/70/973778570.db2.gz IBZQQUOWEOYWOC-SNVBAGLBSA-N 0 1 249.358 2.651 20 0 BFADMN CC(C)N1CC(OC/C=C/c2ccccc2)C1 ZINC001224681305 973856839 /nfs/dbraw/zinc/85/68/39/973856839.db2.gz FEZDLEKRVDIDCW-RMKNXTFCSA-N 0 1 231.339 2.809 20 0 BFADMN Cc1cc(Nc2nccnc2CN)cc(C)c1C ZINC001171449488 974073192 /nfs/dbraw/zinc/07/31/92/974073192.db2.gz GPLRKFPRVQTMBC-UHFFFAOYSA-N 0 1 242.326 2.604 20 0 BFADMN CC(=O)CC(C)(C)Nc1cn2ccnc2cc1C ZINC001171499521 974081467 /nfs/dbraw/zinc/08/14/67/974081467.db2.gz QSPCXMVVNRAECS-UHFFFAOYSA-N 0 1 245.326 2.812 20 0 BFADMN Clc1ccc(CSCc2nnc[nH]2)s1 ZINC001330072356 974094406 /nfs/dbraw/zinc/09/44/06/974094406.db2.gz AUOWPDLGGDWXOL-UHFFFAOYSA-N 0 1 245.760 2.953 20 0 BFADMN Cc1ccc(CC[C@H](C)N2CCOCC2)cc1 ZINC001171664857 974130670 /nfs/dbraw/zinc/13/06/70/974130670.db2.gz GPFZSBGPGGTJMV-AWEZNQCLSA-N 0 1 233.355 2.648 20 0 BFADMN c1c(CN2C[C@H]3CCCC[C@H]32)onc1C1CC1 ZINC001171756434 974150200 /nfs/dbraw/zinc/15/02/00/974150200.db2.gz KYQGFJJAMBGXIZ-BXUZGUMPSA-N 0 1 232.327 2.926 20 0 BFADMN C[C@@H]1C[C@@H](F)CN1[C@H]1Cc2cccc(F)c2C1 ZINC001171791556 974180730 /nfs/dbraw/zinc/18/07/30/974180730.db2.gz AOIMXPXHWJBMAC-JLLWLGSASA-N 0 1 237.293 2.725 20 0 BFADMN FC[C@H]1CCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171810544 974198430 /nfs/dbraw/zinc/19/84/30/974198430.db2.gz AUGFOTYJNCCNBT-VXGBXAGGSA-N 0 1 237.293 2.727 20 0 BFADMN c1nnsc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001330574337 974325475 /nfs/dbraw/zinc/32/54/75/974325475.db2.gz CAWPKSIQBALGRV-WDEREUQCSA-N 0 1 237.372 2.550 20 0 BFADMN Cc1conc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001330658725 974390797 /nfs/dbraw/zinc/39/07/97/974390797.db2.gz YJHZCDJXUVYGPT-QWHCGFSZSA-N 0 1 234.343 2.995 20 0 BFADMN FC1(F)CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)O2 ZINC001172221643 974455663 /nfs/dbraw/zinc/45/56/63/974455663.db2.gz ZRBOUTRKHDFGIG-FGNRJIRKSA-N 0 1 245.313 2.864 20 0 BFADMN CC[C@H](C)OCC[C@H](C)NCc1nc(C)co1 ZINC001172315364 974521266 /nfs/dbraw/zinc/52/12/66/974521266.db2.gz JOEVKEKTCHBYNE-JQWIXIFHSA-N 0 1 240.347 2.666 20 0 BFADMN CC[C@H](C)OCC[C@H](C)NCc1cc(C)on1 ZINC001172315373 974521569 /nfs/dbraw/zinc/52/15/69/974521569.db2.gz JPNGLGYCVMGUGR-QWRGUYRKSA-N 0 1 240.347 2.666 20 0 BFADMN C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([S-])cc1)C2 ZINC001225556012 974551642 /nfs/dbraw/zinc/55/16/42/974551642.db2.gz SRXPBHHYHMBUKY-PTEHBNRSSA-N 0 1 249.379 2.979 20 0 BFADMN CC1(C)C[C@@H](N(Cc2ccco2)C2CC2)CO1 ZINC001172293601 974559030 /nfs/dbraw/zinc/55/90/30/974559030.db2.gz RRIDZPXTDCGGQL-GFCCVEGCSA-N 0 1 235.327 2.812 20 0 BFADMN CCN1CCC[C@H](Oc2ccccc2C(C)=O)C1 ZINC001225574718 974559646 /nfs/dbraw/zinc/55/96/46/974559646.db2.gz UPDHYLSMSMAVMJ-ZDUSSCGKSA-N 0 1 247.338 2.752 20 0 BFADMN CCN1CCC[C@@H](Oc2cccnc2Cl)C1 ZINC001225588849 974576982 /nfs/dbraw/zinc/57/69/82/974576982.db2.gz TWFPQNCYSRAXOM-SNVBAGLBSA-N 0 1 240.734 2.598 20 0 BFADMN C[C@@H]1CC[C@@H](N2CCn3cncc3C2)C[C@H]1C ZINC001172376422 974577105 /nfs/dbraw/zinc/57/71/05/974577105.db2.gz DNFYZLWCASXMNN-JHJVBQTASA-N 0 1 233.359 2.523 20 0 BFADMN C[C@@H]1CC[C@@H](Nc2cccnc2CN)C[C@@H]1C ZINC001172365808 974641844 /nfs/dbraw/zinc/64/18/44/974641844.db2.gz FMMNEVUHKYPIIU-GRYCIOLGSA-N 0 1 233.359 2.777 20 0 BFADMN CN1CCC[C@@H](Oc2nc3ccccc3s2)C1 ZINC001225692655 974646464 /nfs/dbraw/zinc/64/64/64/974646464.db2.gz FQFNKMYPCJWBRQ-SNVBAGLBSA-N 0 1 248.351 2.769 20 0 BFADMN CCCC1CCN(Cc2ccc(C)nn2)CC1 ZINC001331381943 974701387 /nfs/dbraw/zinc/70/13/87/974701387.db2.gz BYFAWVVYAMHBAI-UHFFFAOYSA-N 0 1 233.359 2.797 20 0 BFADMN CCOCC[C@@H](C)N1CCn2cccc2[C@H]1C ZINC001172433442 974718468 /nfs/dbraw/zinc/71/84/68/974718468.db2.gz PSXHDRCNFUECAC-CHWSQXEVSA-N 0 1 236.359 2.680 20 0 BFADMN CC[C@H](CC(C)C)N[C@@H]1NC(=O)c2ccccc21 ZINC001172391416 974739788 /nfs/dbraw/zinc/73/97/88/974739788.db2.gz FUDJMHCFLMPRNA-BXUZGUMPSA-N 0 1 246.354 2.843 20 0 BFADMN CC[C@H](CC(C)C)Nc1cccnc1CN ZINC001172392206 974742584 /nfs/dbraw/zinc/74/25/84/974742584.db2.gz MNYUGAHZAIMOLT-LLVKDONJSA-N 0 1 221.348 2.777 20 0 BFADMN CC1(C)[C@@H]2C[C@@H](Oc3cccc4[nH]nnc43)C[C@@H]21 ZINC001225990741 974750748 /nfs/dbraw/zinc/75/07/48/974750748.db2.gz IOHQRHDGOYCUTE-OWUUHHOZSA-N 0 1 243.310 2.771 20 0 BFADMN C[C@@H](Oc1cccc2[nH]nnc21)c1ccco1 ZINC001225991490 974753729 /nfs/dbraw/zinc/75/37/29/974753729.db2.gz CDZWBKBMOJZDPX-MRVPVSSYSA-N 0 1 229.239 2.691 20 0 BFADMN CC[C@H](Oc1cccc2[nH]nnc21)C(C)C ZINC001225991753 974755637 /nfs/dbraw/zinc/75/56/37/974755637.db2.gz IXSALSZYUYPFPH-JTQLQIEISA-N 0 1 219.288 2.771 20 0 BFADMN CCOC(=O)CN([C@@H](CC)CC(C)C)C1CC1 ZINC001172400829 974762825 /nfs/dbraw/zinc/76/28/25/974762825.db2.gz CBSZGTUXGVZAEN-LBPRGKRZSA-N 0 1 241.375 2.839 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001226156257 974811097 /nfs/dbraw/zinc/81/10/97/974811097.db2.gz LMGKPHFFKWVHJQ-WCABBAIRSA-N 0 1 236.315 2.694 20 0 BFADMN CC[C@@H]1CCCC[C@H]1Oc1nc(C)cc(=O)[nH]1 ZINC001226155614 974811571 /nfs/dbraw/zinc/81/15/71/974811571.db2.gz FVYKIFGAZOYQJP-GHMZBOCLSA-N 0 1 236.315 2.838 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC001226156255 974812161 /nfs/dbraw/zinc/81/21/61/974812161.db2.gz LMGKPHFFKWVHJQ-FXPVBKGRSA-N 0 1 236.315 2.694 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cccc(F)c2)n1 ZINC001226157321 974813416 /nfs/dbraw/zinc/81/34/16/974813416.db2.gz XCFPYUKKQMIKCO-SECBINFHSA-N 0 1 248.257 2.770 20 0 BFADMN CC(=O)CN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001331759921 974815217 /nfs/dbraw/zinc/81/52/17/974815217.db2.gz PRPUMHUWHYTRLO-JKSUJKDBSA-N 0 1 243.350 2.977 20 0 BFADMN C[C@@H]1CCC[C@H](Oc2n[nH]c3ncccc23)C1 ZINC001226304017 974851810 /nfs/dbraw/zinc/85/18/10/974851810.db2.gz ZCVUOWYUPHFFDB-ZJUUUORDSA-N 0 1 231.299 2.915 20 0 BFADMN C[C@H](CCc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226324110 974855534 /nfs/dbraw/zinc/85/55/34/974855534.db2.gz IGBLAEZGOACMKJ-LLVKDONJSA-N 0 1 244.294 2.582 20 0 BFADMN Cc1ccc([C@H](C)Oc2nccc(=O)[nH]2)cc1 ZINC001226326765 974858331 /nfs/dbraw/zinc/85/83/31/974858331.db2.gz NKHJNWXMXCWIJW-JTQLQIEISA-N 0 1 230.267 2.631 20 0 BFADMN Cc1ccc([C@@H](C)Oc2nccc(=O)[nH]2)c(C)c1 ZINC001226326865 974859454 /nfs/dbraw/zinc/85/94/54/974859454.db2.gz OQPSPFHDIGXOJY-LLVKDONJSA-N 0 1 244.294 2.939 20 0 BFADMN CCC[C@@H](C)[C@@H](CC)Oc1nccc(=O)[nH]1 ZINC001226327389 974861921 /nfs/dbraw/zinc/86/19/21/974861921.db2.gz VQVNUWBHJLEVKN-NXEZZACHSA-N 0 1 224.304 2.776 20 0 BFADMN Cc1nc[nH]c1-c1nc(-c2cccc(C)c2)no1 ZINC001212668485 974868001 /nfs/dbraw/zinc/86/80/01/974868001.db2.gz AJFPKEGOYJMNSJ-UHFFFAOYSA-N 0 1 240.266 2.744 20 0 BFADMN C[C@@H]1CCCC[C@H]1C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001331933450 974875646 /nfs/dbraw/zinc/87/56/46/974875646.db2.gz CABKLDICSZAZOC-NEPJUHHUSA-N 0 1 241.375 2.998 20 0 BFADMN CCO[C@@H](C)COc1cc(N)nc2ccccc21 ZINC001226423416 974891197 /nfs/dbraw/zinc/89/11/97/974891197.db2.gz WWLJKCSWNIZENE-JTQLQIEISA-N 0 1 246.310 2.621 20 0 BFADMN CCO[C@H](C)COc1cc(N)nc2ccccc21 ZINC001226423418 974891281 /nfs/dbraw/zinc/89/12/81/974891281.db2.gz WWLJKCSWNIZENE-SNVBAGLBSA-N 0 1 246.310 2.621 20 0 BFADMN Cc1ccc2nc(O[C@H]3CCO[C@H](C)C3)[nH]c2c1 ZINC001226507656 974929513 /nfs/dbraw/zinc/92/95/13/974929513.db2.gz CBKNJHROHCXVPS-MNOVXSKESA-N 0 1 246.310 2.818 20 0 BFADMN CC(C)OC(=O)CC[C@@H](C)N1C[C@H](F)C[C@H]1C ZINC001172755260 974929699 /nfs/dbraw/zinc/92/96/99/974929699.db2.gz NMCVGXXAZXQBNW-IJLUTSLNSA-N 0 1 245.338 2.539 20 0 BFADMN Cc1nc(C)n(C[C@H](O)c2ccc(F)cc2)c1C ZINC001332040099 974930265 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2.952 20 0 BFADMN COC[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000127553418 384916111 /nfs/dbraw/zinc/91/61/11/384916111.db2.gz JPNXZVRBFLQSPQ-RKDXNWHRSA-N 0 1 229.270 2.650 20 0 BFADMN CC(C)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000175586521 384930147 /nfs/dbraw/zinc/93/01/47/384930147.db2.gz PLVJBCULEJRPGT-UHFFFAOYSA-N 0 1 237.734 2.828 20 0 BFADMN Cc1ncc(CN[C@@H](C)c2ccoc2)s1 ZINC000087289980 384941714 /nfs/dbraw/zinc/94/17/14/384941714.db2.gz NSYILBOLVFEQNK-QMMMGPOBSA-N 0 1 222.313 2.895 20 0 BFADMN CC[C@H]1CC[C@@H](C)N1CC(=O)OC(C)(C)C ZINC000312958628 384943946 /nfs/dbraw/zinc/94/39/46/384943946.db2.gz YOUKBWXTFAUPPP-MNOVXSKESA-N 0 1 227.348 2.591 20 0 BFADMN CC(C)n1ccc(CN(C)CC2CCC2)n1 ZINC000172015555 384945226 /nfs/dbraw/zinc/94/52/26/384945226.db2.gz RYWDAMWOUWZBMV-UHFFFAOYSA-N 0 1 221.348 2.696 20 0 BFADMN CC(=O)CCN([C@H](C)c1ccco1)C1CC1 ZINC000127791577 384946521 /nfs/dbraw/zinc/94/65/21/384946521.db2.gz DZXNOHOZLVJSSZ-LLVKDONJSA-N 0 1 221.300 2.784 20 0 BFADMN Cc1ccc(F)c(CN(C)C[C@@H]2CCCO2)c1 ZINC000127984093 384976543 /nfs/dbraw/zinc/97/65/43/384976543.db2.gz SHWKZZBURQAEFE-ZDUSSCGKSA-N 0 1 237.318 2.745 20 0 BFADMN C[C@@H](O)CCN[C@H](c1ccco1)c1ccccc1 ZINC000085983787 384977604 /nfs/dbraw/zinc/97/76/04/384977604.db2.gz CNDAGVBKHDPLHP-DOMZBBRYSA-N 0 1 245.322 2.730 20 0 BFADMN Cc1noc([C@H](C)N[C@H]2CCCC2(C)C)n1 ZINC000336218163 384978428 /nfs/dbraw/zinc/97/84/28/384978428.db2.gz MLDJXFUAXABGAJ-WPRPVWTQSA-N 0 1 223.320 2.607 20 0 BFADMN Fc1ccc([C@H](NCC2CC2)c2ncc[nH]2)cc1 ZINC000187743570 384979396 /nfs/dbraw/zinc/97/93/96/384979396.db2.gz QPLCDQIULOPDIR-ZDUSSCGKSA-N 0 1 245.301 2.638 20 0 BFADMN CCCC[C@@H](C)N[C@@H](C)c1csnn1 ZINC000398337278 384981767 /nfs/dbraw/zinc/98/17/67/384981767.db2.gz PVRWWASCRJLTSM-BDAKNGLRSA-N 0 1 213.350 2.767 20 0 BFADMN CC(C)[C@@H](CO)NCc1c(F)cccc1Cl ZINC000086122259 384989242 /nfs/dbraw/zinc/98/92/42/384989242.db2.gz FQEBXXWEWPWKAS-GFCCVEGCSA-N 0 1 245.725 2.586 20 0 BFADMN CCCNC1(c2noc(C)n2)CCCCCC1 ZINC000407976322 385006627 /nfs/dbraw/zinc/00/66/27/385006627.db2.gz ZJDYMBVSJZOFAW-UHFFFAOYSA-N 0 1 237.347 2.927 20 0 BFADMN C[C@@H](NCc1[nH]nc2ccccc21)C(F)(F)F ZINC000643799363 384964312 /nfs/dbraw/zinc/96/43/12/384964312.db2.gz YYCDVWNTYQJSMO-SSDOTTSWSA-N 0 1 243.232 2.603 20 0 BFADMN CC(F)(F)CN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000559323205 385052277 /nfs/dbraw/zinc/05/22/77/385052277.db2.gz AKEIMVOEAHCXHY-IJLUTSLNSA-N 0 1 247.329 2.827 20 0 BFADMN CCN(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000312992439 385058964 /nfs/dbraw/zinc/05/89/64/385058964.db2.gz KRZGJYKIDFNBPS-UHFFFAOYSA-N 0 1 229.364 2.696 20 0 BFADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(O)c1 ZINC000340520997 385085044 /nfs/dbraw/zinc/08/50/44/385085044.db2.gz APGYQKPEPQSXQC-TVYUQYBPSA-N 0 1 223.291 2.933 20 0 BFADMN CCc1noc(CN[C@@H](CC)[C@H]2CC2(C)C)n1 ZINC000642718169 385031333 /nfs/dbraw/zinc/03/13/33/385031333.db2.gz NUPDLTIIFJUGKX-ZJUUUORDSA-N 0 1 237.347 2.546 20 0 BFADMN CC[C@@H](C)COc1ccccc1-c1nnc[nH]1 ZINC000165349694 385115683 /nfs/dbraw/zinc/11/56/83/385115683.db2.gz IGMGZGKKJCVIFL-SNVBAGLBSA-N 0 1 231.299 2.897 20 0 BFADMN Fc1cncc(CN2CCC(C3CC3)CC2)c1 ZINC000644720543 385138638 /nfs/dbraw/zinc/13/86/38/385138638.db2.gz KNXJWHASNHIAJC-UHFFFAOYSA-N 0 1 234.318 2.843 20 0 BFADMN CCn1c2ccccc2nc1CN[C@H]1CC12CC2 ZINC000643799951 385087273 /nfs/dbraw/zinc/08/72/73/385087273.db2.gz KALGWHVPSIDEFP-ZDUSSCGKSA-N 0 1 241.338 2.698 20 0 BFADMN CCc1ccccc1CN(C)Cc1cnn(C)c1 ZINC000188775885 385090628 /nfs/dbraw/zinc/09/06/28/385090628.db2.gz VQFLIORNRZTVST-UHFFFAOYSA-N 0 1 243.354 2.615 20 0 BFADMN c1sc(C2CC2)nc1CN[C@H]1CC12CC2 ZINC000424186644 385100501 /nfs/dbraw/zinc/10/05/01/385100501.db2.gz SHTXFNBUGDZDPP-JTQLQIEISA-N 0 1 220.341 2.663 20 0 BFADMN CSCCN1CCC[C@@H]1c1csc(C)n1 ZINC000189801644 385188721 /nfs/dbraw/zinc/18/87/21/385188721.db2.gz HNOAGLRPRASHKV-LLVKDONJSA-N 0 1 242.413 2.951 20 0 BFADMN O=C([O-])[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000164640931 385190891 /nfs/dbraw/zinc/19/08/91/385190891.db2.gz NAKRPXWVNUAREO-CYBMUJFWSA-N 0 1 239.359 2.753 20 0 BFADMN CC/C=C\CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647305662 385191480 /nfs/dbraw/zinc/19/14/80/385191480.db2.gz GSLXQIYHEORKSS-TXNVCOODSA-N 0 1 233.359 2.836 20 0 BFADMN C[C@@H](NCc1ccoc1)c1ccc2c(c1)OCO2 ZINC000062103548 385156653 /nfs/dbraw/zinc/15/66/53/385156653.db2.gz KAGJPHBIGMQBBI-SNVBAGLBSA-N 0 1 245.278 2.859 20 0 BFADMN FCCCN1CCc2c(F)cccc2C1 ZINC000152846407 385216619 /nfs/dbraw/zinc/21/66/19/385216619.db2.gz UUYHBZBYXVEKPH-UHFFFAOYSA-N 0 1 211.255 2.543 20 0 BFADMN FC(F)(F)OCCNCc1ccc(Cl)o1 ZINC000308852821 385217139 /nfs/dbraw/zinc/21/71/39/385217139.db2.gz GBICYKJEJWERQV-UHFFFAOYSA-N 0 1 243.612 2.559 20 0 BFADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCCF ZINC000336763098 385251499 /nfs/dbraw/zinc/25/14/99/385251499.db2.gz LYCAGUWLYMAMQX-CABZTGNLSA-N 0 1 245.725 2.975 20 0 BFADMN CCC[C@H](O)CN[C@H](C)c1c(F)cccc1F ZINC000131088860 385307936 /nfs/dbraw/zinc/30/79/36/385307936.db2.gz CQYZJGSJMKIUTG-ZJUUUORDSA-N 0 1 243.297 2.776 20 0 BFADMN C[C@@H](N[C@@H]1CCCOC1)c1cccnc1Cl ZINC000167411138 385314959 /nfs/dbraw/zinc/31/49/59/385314959.db2.gz HURZYBGZXXKDPV-NXEZZACHSA-N 0 1 240.734 2.565 20 0 BFADMN Cc1cnc(CNCCOc2ccccc2)s1 ZINC000294847858 385260274 /nfs/dbraw/zinc/26/02/74/385260274.db2.gz UQDQJNLJMFVHBG-UHFFFAOYSA-N 0 1 248.351 2.620 20 0 BFADMN CCN(CC)c1ncc(CN(C)C2CC2)s1 ZINC000153752568 385277808 /nfs/dbraw/zinc/27/78/08/385277808.db2.gz UVJFCHOZRVDESG-UHFFFAOYSA-N 0 1 239.388 2.584 20 0 BFADMN CCC(CC)(CC)c1nc(C2(N)CCC2)no1 ZINC000647140948 385277945 /nfs/dbraw/zinc/27/79/45/385277945.db2.gz HMFDWCBESAOKFM-UHFFFAOYSA-N 0 1 237.347 2.875 20 0 BFADMN Cc1ccc([C@H](C)N(C)Cc2ccnn2C)cc1 ZINC000130809671 385286158 /nfs/dbraw/zinc/28/61/58/385286158.db2.gz DBPBGLGUQVUVDD-ZDUSSCGKSA-N 0 1 243.354 2.922 20 0 BFADMN CC(C)(C)C[C@@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000647141828 385290375 /nfs/dbraw/zinc/29/03/75/385290375.db2.gz MQKRCWJTBPFBBU-VHSXEESVSA-N 0 1 249.358 2.947 20 0 BFADMN NC1(c2noc(CCCC3CC3)n2)CCCCC1 ZINC000643941154 385298369 /nfs/dbraw/zinc/29/83/69/385298369.db2.gz ADNVFKWCQMBPPK-UHFFFAOYSA-N 0 1 249.358 2.920 20 0 BFADMN CCc1cccc(NC(=O)CN2CCC[C@@H]2C)c1 ZINC000154512790 385333634 /nfs/dbraw/zinc/33/36/34/385333634.db2.gz WTSMUJQKMHPVMH-LBPRGKRZSA-N 0 1 246.354 2.672 20 0 BFADMN c1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)co1 ZINC000191924761 385334617 /nfs/dbraw/zinc/33/46/17/385334617.db2.gz FJAROHKRWGUNRX-OAHLLOKOSA-N 0 1 242.322 2.882 20 0 BFADMN CCC[C@@H]1CCCCN1Cc1cocn1 ZINC000191976883 385336130 /nfs/dbraw/zinc/33/61/30/385336130.db2.gz HLYALUIOUJAIMH-GFCCVEGCSA-N 0 1 208.305 2.829 20 0 BFADMN CCSc1cccc(CNCCF)c1 ZINC000280630810 385344952 /nfs/dbraw/zinc/34/49/52/385344952.db2.gz HACVXRUEYSZGPK-UHFFFAOYSA-N 0 1 213.321 2.858 20 0 BFADMN Clc1ccc(CCNCc2cocn2)s1 ZINC000192287881 385350830 /nfs/dbraw/zinc/35/08/30/385350830.db2.gz YGRDMECWZHNNGS-UHFFFAOYSA-N 0 1 242.731 2.722 20 0 BFADMN CC[C@@H](C)C[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192585134 385364747 /nfs/dbraw/zinc/36/47/47/385364747.db2.gz PJPCAPAHPJLNSS-KOLCDFICSA-N 0 1 237.347 2.530 20 0 BFADMN CC[C@@H](C)C[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192585134 385364752 /nfs/dbraw/zinc/36/47/52/385364752.db2.gz PJPCAPAHPJLNSS-KOLCDFICSA-N 0 1 237.347 2.530 20 0 BFADMN FCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000281026610 385390247 /nfs/dbraw/zinc/39/02/47/385390247.db2.gz MRKRNOWFRNYXGY-NSHDSACASA-N 0 1 227.254 2.599 20 0 BFADMN CCC1(CN[C@@H](C)c2cc(C)on2)CC1 ZINC000309063962 385390515 /nfs/dbraw/zinc/39/05/15/385390515.db2.gz YHRDQQUAFLWXDZ-JTQLQIEISA-N 0 1 208.305 2.824 20 0 BFADMN FCCNCc1cc(Cl)cc2cccnc21 ZINC000280812780 385377748 /nfs/dbraw/zinc/37/77/48/385377748.db2.gz UKTQFMYFRJSHBW-UHFFFAOYSA-N 0 1 238.693 2.947 20 0 BFADMN CC(C)n1ccc(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000179694495 385378672 /nfs/dbraw/zinc/37/86/72/385378672.db2.gz HUTXLWJSFYQAHQ-STQMWFEESA-N 0 1 235.375 2.942 20 0 BFADMN FCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000280870795 385382246 /nfs/dbraw/zinc/38/22/46/385382246.db2.gz ADWHGSGRIOWSSF-SNVBAGLBSA-N 0 1 229.295 2.922 20 0 BFADMN CCCC[C@@H](C(=O)OC)N1CCCC(C)(C)C1 ZINC000168697608 385383155 /nfs/dbraw/zinc/38/31/55/385383155.db2.gz BBHKMORQSAATSV-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN C[C@@H](NCc1cccc(O)c1)c1cncs1 ZINC000154412258 385325781 /nfs/dbraw/zinc/32/57/81/385325781.db2.gz KDVOTBGOFRCLKJ-SECBINFHSA-N 0 1 234.324 2.700 20 0 BFADMN COC(=O)CN(C[C@H](C)CC(C)C)C(C)C ZINC000309062655 385397279 /nfs/dbraw/zinc/39/72/79/385397279.db2.gz OKRYBCGLGMVUSC-GFCCVEGCSA-N 0 1 229.364 2.552 20 0 BFADMN FCCN[C@H]1CCCc2cc(F)ccc21 ZINC000281140949 385400558 /nfs/dbraw/zinc/40/05/58/385400558.db2.gz UOJUSWJWPGSPHA-LBPRGKRZSA-N 0 1 211.255 2.762 20 0 BFADMN COc1cc(CN2CCSCC2)ccc1C ZINC000193668702 385407453 /nfs/dbraw/zinc/40/74/53/385407453.db2.gz IFLPWMHDDAWFHY-UHFFFAOYSA-N 0 1 237.368 2.552 20 0 BFADMN COC[C@@H](NC/C=C/Cl)c1ccccc1 ZINC000181698472 385409916 /nfs/dbraw/zinc/40/99/16/385409916.db2.gz SLGXYIFRTPECDB-FZKGZDJFSA-N 0 1 225.719 2.716 20 0 BFADMN C[C@H](NCc1ccoc1)c1cccc(CO)c1 ZINC000179110918 385442167 /nfs/dbraw/zinc/44/21/67/385442167.db2.gz NYZAICOOOPHINV-NSHDSACASA-N 0 1 231.295 2.623 20 0 BFADMN C[C@@H]1[C@H](C)OCCN1CCCOc1ccccc1 ZINC000156228112 385443168 /nfs/dbraw/zinc/44/31/68/385443168.db2.gz YWOQVSPFBGYNQM-KGLIPLIRSA-N 0 1 249.354 2.565 20 0 BFADMN Cc1cccc(CCN2CCO[C@@H](C)[C@H]2C)c1 ZINC000449037215 385445062 /nfs/dbraw/zinc/44/50/62/385445062.db2.gz XSHMOKRIONYWOF-KGLIPLIRSA-N 0 1 233.355 2.647 20 0 BFADMN COc1cccc(F)c1[C@@H](C)NC[C@H](C)OC ZINC000182439362 385447334 /nfs/dbraw/zinc/44/73/34/385447334.db2.gz CHVOAQPWEDQACH-VHSXEESVSA-N 0 1 241.306 2.520 20 0 BFADMN CC(C)C(C[N@@H+](C)CCCC(=O)[O-])C(C)C ZINC000309133906 385426946 /nfs/dbraw/zinc/42/69/46/385426946.db2.gz KNKHJKYPKKJPAG-UHFFFAOYSA-N 0 1 229.364 2.711 20 0 BFADMN Cc1oncc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000444708036 385427570 /nfs/dbraw/zinc/42/75/70/385427570.db2.gz QPHQOLGAKOHVSI-SECBINFHSA-N 0 1 248.248 2.757 20 0 BFADMN CC(C)CCC[C@@H](C)NCc1cocn1 ZINC000182062266 385428833 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584957663 /nfs/dbraw/zinc/95/76/63/584957663.db2.gz UYNIGRXOYLBWQT-CQSZACIVSA-N 0 1 247.342 2.700 20 0 BFADMN CC[C@H](C(=O)OCC1(CC)CC1)N(CC)CC ZINC000816184663 584978126 /nfs/dbraw/zinc/97/81/26/584978126.db2.gz IXVKSSSEWDKUFQ-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN CC[C@@H](C(=O)OCc1ccccc1)N(CC)CC ZINC000735989444 584986031 /nfs/dbraw/zinc/98/60/31/584986031.db2.gz ZPCLCVOZYQURKH-AWEZNQCLSA-N 0 1 249.354 2.850 20 0 BFADMN CC(C)CONc1ccnc(C(C)(C)C)n1 ZINC000788075945 584992264 /nfs/dbraw/zinc/99/22/64/584992264.db2.gz LIQVHKOVWONZMO-UHFFFAOYSA-N 0 1 223.320 2.774 20 0 BFADMN Cc1n[nH]cc1CN[C@H](c1ccccn1)C(C)C ZINC000736648095 585008485 /nfs/dbraw/zinc/00/84/85/585008485.db2.gz ONJLKJKFJUNEMX-AWEZNQCLSA-N 0 1 244.342 2.600 20 0 BFADMN C[N@@H+]([C@H](C(=O)[O-])c1ccccc1)[C@H]1C=CCCC1 ZINC000737384318 585031149 /nfs/dbraw/zinc/03/11/49/585031149.db2.gz UJDIMXGHZUAIPD-KBPBESRZSA-N 0 1 245.322 2.853 20 0 BFADMN Cc1[nH]nc(CNc2ccccc2N(C)C)c1C ZINC000886028355 585036391 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ZINC000908699554 639045752 /nfs/dbraw/zinc/04/57/52/639045752.db2.gz NSFIJQJXCNEKNL-UHFFFAOYSA-N 0 1 246.314 2.723 20 0 BFADMN CCCCC[C@@H](C)NCc1csnn1 ZINC000036902232 711465343 /nfs/dbraw/zinc/46/53/43/711465343.db2.gz WRUJKRDXUDYLRK-SECBINFHSA-N 0 1 213.350 2.597 20 0 BFADMN Cc1[nH+]c(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)ccc1C(=O)[O-] ZINC000910332960 639415493 /nfs/dbraw/zinc/41/54/93/639415493.db2.gz GASIQRGDCSAZJN-KPQFEUGASA-N 0 1 246.310 2.545 20 0 BFADMN C[C@@H]1CN(CCCC(C)(F)F)[C@@H](C)[C@H](C)O1 ZINC000930251247 639658711 /nfs/dbraw/zinc/65/87/11/639658711.db2.gz IXAHRAKBAOAEQP-VWYCJHECSA-N 0 1 235.318 2.920 20 0 BFADMN C[C@@H]1CN(CCCC(C)(F)F)[C@H](C)[C@H](C)O1 ZINC000930251245 639659124 /nfs/dbraw/zinc/65/91/24/639659124.db2.gz IXAHRAKBAOAEQP-MXWKQRLJSA-N 0 1 235.318 2.920 20 0 BFADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000930264810 639666023 /nfs/dbraw/zinc/66/60/23/639666023.db2.gz RQDWPALCSRIMEQ-MDZLAQPJSA-N 0 1 219.332 2.593 20 0 BFADMN CCc1onc(C)c1CN1[C@@H](C)C[C@@H]1C ZINC000930272263 639677040 /nfs/dbraw/zinc/67/70/40/639677040.db2.gz CVDDVXUHIQGAHW-IUCAKERBSA-N 0 1 208.305 2.528 20 0 BFADMN CC1=CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000930305289 639692094 /nfs/dbraw/zinc/69/20/94/639692094.db2.gz GYSWREWBFAASPK-NSHDSACASA-N 0 1 220.291 2.934 20 0 BFADMN Cc1nnsc1[C@@H](C)N1CCC=C(C)C1 ZINC000930305908 639693369 /nfs/dbraw/zinc/69/33/69/639693369.db2.gz KMMGHLVWFHNWPW-SNVBAGLBSA-N 0 1 223.345 2.560 20 0 BFADMN C[C@H](C1CC1)N1CCOc2cccc(F)c2C1 ZINC000930346383 639717922 /nfs/dbraw/zinc/71/79/22/639717922.db2.gz DGJHKIZHJNSOLV-SNVBAGLBSA-N 0 1 235.302 2.819 20 0 BFADMN CC[C@@H]1C[C@H]1CN1CCC[C@H]1c1nc(C)no1 ZINC000930481856 639774355 /nfs/dbraw/zinc/77/43/55/639774355.db2.gz RXINBRXGPCVTTQ-WOPDTQHZSA-N 0 1 235.331 2.561 20 0 BFADMN Cc1noc([C@H]2CCCCN2CC2CC(C)C2)n1 ZINC000930477728 639776122 /nfs/dbraw/zinc/77/61/22/639776122.db2.gz UGKLZJHPZVJCJI-KGPNIALWSA-N 0 1 249.358 2.951 20 0 BFADMN C[C@H](NCc1nncs1)[C@@H]1CCC[C@@H](C)C1 ZINC000930668079 639854248 /nfs/dbraw/zinc/85/42/48/639854248.db2.gz YXUWPYWJFPXIKN-OUAUKWLOSA-N 0 1 239.388 2.843 20 0 BFADMN CC(F)(F)CCCN1CCO[C@H](C2CCC2)C1 ZINC000930712551 639875152 /nfs/dbraw/zinc/87/51/52/639875152.db2.gz OTGVRDWZQZEPOO-LBPRGKRZSA-N 0 1 247.329 2.923 20 0 BFADMN CN(Cc1cc(C(F)(F)F)n(C)n1)C(C)(C)C ZINC000930824484 639925732 /nfs/dbraw/zinc/92/57/32/639925732.db2.gz DKSUODDOICODDT-UHFFFAOYSA-N 0 1 249.280 2.669 20 0 BFADMN Cc1nnsc1[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000930895070 639974922 /nfs/dbraw/zinc/97/49/22/639974922.db2.gz QYLVBTYQNXSHEQ-DCAQKATOSA-N 0 1 237.372 2.782 20 0 BFADMN CC1(C)CN(CCOC2CC2)[C@@H]1c1ccncc1 ZINC000931082943 640065343 /nfs/dbraw/zinc/06/53/43/640065343.db2.gz IDBFKJPBMFDGMW-CQSZACIVSA-N 0 1 246.354 2.644 20 0 BFADMN c1nc(C2CC2)oc1CN(C1CC1)C1CC1 ZINC000931178423 640092406 /nfs/dbraw/zinc/09/24/06/640092406.db2.gz DDMDUHTVLXJQBB-UHFFFAOYSA-N 0 1 218.300 2.679 20 0 BFADMN CCc1ncc(CN2CCC(CCF)CC2)o1 ZINC000931465824 640225562 /nfs/dbraw/zinc/22/55/62/640225562.db2.gz QRZUUNUWERVSFS-UHFFFAOYSA-N 0 1 240.322 2.809 20 0 BFADMN C[C@H](NCc1nncs1)[C@]12C[C@H]1CCCC2 ZINC000931469930 640228007 /nfs/dbraw/zinc/22/80/07/640228007.db2.gz HPSXZZXHOGFTRQ-UMNHJUIQSA-N 0 1 237.372 2.597 20 0 BFADMN Cc1nnsc1[C@@H](C)N1CCC(C)(F)CC1 ZINC000931504243 640236278 /nfs/dbraw/zinc/23/62/78/640236278.db2.gz NNGGTKGFIFUZJC-SECBINFHSA-N 0 1 243.351 2.732 20 0 BFADMN C[C@H](NCc1ccccc1CF)c1ccnn1C ZINC000931559629 640273602 /nfs/dbraw/zinc/27/36/02/640273602.db2.gz GYFOTIHMZMINPX-NSHDSACASA-N 0 1 247.317 2.740 20 0 BFADMN CN(CC(C)(C)C)C(=O)c1cccc(F)c1O ZINC000931614503 640289350 /nfs/dbraw/zinc/28/93/50/640289350.db2.gz WJEDAOWVIMWZFB-UHFFFAOYSA-N 0 1 239.290 2.649 20 0 BFADMN Cc1nnsc1[C@H](C)N1CCC[C@@H](CF)C1 ZINC000931682621 640313371 /nfs/dbraw/zinc/31/33/71/640313371.db2.gz NTADYQWJMYLJCO-UWVGGRQHSA-N 0 1 243.351 2.589 20 0 BFADMN CC1(C)Oc2ccc(NCc3cnc[nH]3)cc2O1 ZINC000054764222 640406091 /nfs/dbraw/zinc/40/60/91/640406091.db2.gz QYLSZJMPXKFJPP-UHFFFAOYSA-N 0 1 245.282 2.529 20 0 BFADMN CC[C@@H](NC)c1nc(-c2ccccc2C)no1 ZINC000044625848 640446673 /nfs/dbraw/zinc/44/66/73/640446673.db2.gz JUHPXTUQNMXUMN-LLVKDONJSA-N 0 1 231.299 2.716 20 0 BFADMN Cn1nccc1[C@@H]1CCCN1Cc1ccsc1 ZINC000932260709 640462260 /nfs/dbraw/zinc/46/22/60/640462260.db2.gz GCYXPDOPQWHKJT-ZDUSSCGKSA-N 0 1 247.367 2.819 20 0 BFADMN CCCCOC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000055483462 640475203 /nfs/dbraw/zinc/47/52/03/640475203.db2.gz VPZOLQFAJZILFO-NSHDSACASA-N 0 1 229.364 2.696 20 0 BFADMN Cc1ccc(F)c(CN2CCO[C@@H](C)CC2)c1 ZINC000932345158 640488218 /nfs/dbraw/zinc/48/82/18/640488218.db2.gz YUXINJPPIYWFPB-LBPRGKRZSA-N 0 1 237.318 2.745 20 0 BFADMN CC/C=C\CCN[C@@H](c1ncccn1)C1CC1 ZINC000932355164 640495849 /nfs/dbraw/zinc/49/58/49/640495849.db2.gz QRTQUHXNEQPMLK-DHCBQETCSA-N 0 1 231.343 2.874 20 0 BFADMN CC[C@H](C)CN(C)C(=O)c1cccc(F)c1O ZINC000932495587 640558769 /nfs/dbraw/zinc/55/87/69/640558769.db2.gz DBFXHCKHGPUTAS-VIFPVBQESA-N 0 1 239.290 2.649 20 0 BFADMN FC1(F)CC[C@H](CN2CCn3cccc3C2)C1 ZINC000932527171 640566972 /nfs/dbraw/zinc/56/69/72/640566972.db2.gz YQWFZMMBISZQSU-NSHDSACASA-N 0 1 240.297 2.739 20 0 BFADMN c1cc2n(c1)CCN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000932526834 640567920 /nfs/dbraw/zinc/56/79/20/640567920.db2.gz QWSPHZRSLGGMJC-HIFRSBDPSA-N 0 1 230.355 2.740 20 0 BFADMN CC[C@H](C)N1CCn2c(cnc2C(F)(F)F)C1 ZINC000932581290 640578846 /nfs/dbraw/zinc/57/88/46/640578846.db2.gz IUAXMISDEPNLBP-QMMMGPOBSA-N 0 1 247.264 2.516 20 0 BFADMN CC(C)CCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000165515939 640581808 /nfs/dbraw/zinc/58/18/08/640581808.db2.gz QBDYELAGFABKAR-GFCCVEGCSA-N 0 1 227.348 2.752 20 0 BFADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCC(C)C)C1 ZINC000165512446 640581872 /nfs/dbraw/zinc/58/18/72/640581872.db2.gz ADUDVQWMZMDCSP-AWEZNQCLSA-N 0 1 241.375 2.999 20 0 BFADMN C1=CCC(CN2CCn3nc(C4CC4)cc3C2)C1 ZINC000932601694 640582402 /nfs/dbraw/zinc/58/24/02/640582402.db2.gz AFXNPMALMDTYFR-UHFFFAOYSA-N 0 1 243.354 2.542 20 0 BFADMN CC1(CNCc2occc2Br)CC1 ZINC000224171914 640601416 /nfs/dbraw/zinc/60/14/16/640601416.db2.gz SSKGETNLUJPXRP-UHFFFAOYSA-N 0 1 244.132 2.932 20 0 BFADMN CCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000932970732 640654927 /nfs/dbraw/zinc/65/49/27/640654927.db2.gz JNFZHTGOUVCAIC-LBPRGKRZSA-N 0 1 239.746 2.951 20 0 BFADMN CC/C=C/CCN1CCc2c(ncn2CC)C1 ZINC000933259302 640692587 /nfs/dbraw/zinc/69/25/87/640692587.db2.gz ODSZYICJQVGJCE-AATRIKPKSA-N 0 1 233.359 2.617 20 0 BFADMN C[C@@H]1CC[C@H](C)CN1Cc1ccc(Cl)nn1 ZINC000167409469 640718974 /nfs/dbraw/zinc/71/89/74/640718974.db2.gz OWFBWGIRLGBZTL-VHSXEESVSA-N 0 1 239.750 2.750 20 0 BFADMN Fc1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000226799448 640795685 /nfs/dbraw/zinc/79/56/85/640795685.db2.gz PCIKRZJONYWUQJ-AWEZNQCLSA-N 0 1 242.297 2.998 20 0 BFADMN C[C@H](N[C@@H]1CCc2cccnc21)c1cccnc1 ZINC000226801359 640798840 /nfs/dbraw/zinc/79/88/40/640798840.db2.gz XOUCXLTVZFBMGF-SMDDNHRTSA-N 0 1 239.322 2.815 20 0 BFADMN CC[C@H](C)C[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000226869475 640802963 /nfs/dbraw/zinc/80/29/63/640802963.db2.gz VOEWICBRZKDNPH-AAEUAGOBSA-N 0 1 227.348 2.609 20 0 BFADMN C1CC1c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000227216095 640819792 /nfs/dbraw/zinc/81/97/92/640819792.db2.gz OIAFZVSFHHGCIB-USWWRNFRSA-N 0 1 247.342 2.930 20 0 BFADMN C1CC1c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000227216088 640819894 /nfs/dbraw/zinc/81/98/94/640819894.db2.gz OIAFZVSFHHGCIB-DLOVCJGASA-N 0 1 247.342 2.930 20 0 BFADMN C[C@H]1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000227542620 640838321 /nfs/dbraw/zinc/83/83/21/640838321.db2.gz CQLMQQOWFCKRGT-RWMBFGLXSA-N 0 1 239.359 2.609 20 0 BFADMN CN(Cn1cccnc1=S)C(C1CC1)C1CC1 ZINC000170727733 640916691 /nfs/dbraw/zinc/91/66/91/640916691.db2.gz NLZIMROQLGEKOB-UHFFFAOYSA-N 0 1 249.383 2.690 20 0 BFADMN CCC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000229302842 640945010 /nfs/dbraw/zinc/94/50/10/640945010.db2.gz ZIXCQOZIGFJOEA-GRYCIOLGSA-N 0 1 227.348 2.608 20 0 BFADMN CCOC(=O)/C=C/CN[C@H](C)c1ccsc1 ZINC000087638539 640952180 /nfs/dbraw/zinc/95/21/80/640952180.db2.gz NYBYISJNRBZWSI-ORAHPGNNSA-N 0 1 239.340 2.518 20 0 BFADMN CC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000171489689 640982633 /nfs/dbraw/zinc/98/26/33/640982633.db2.gz HQALNIHGHNGEBZ-MRVPVSSYSA-N 0 1 248.282 2.933 20 0 BFADMN CC[C@@H](N)c1cc(-c2cccc(F)c2)no1 ZINC000229870984 640989132 /nfs/dbraw/zinc/98/91/32/640989132.db2.gz XDXYDFXBVVXXCO-SNVBAGLBSA-N 0 1 220.247 2.891 20 0 BFADMN CC[C@@H](C)CN(C)Cn1cccnc1=S ZINC000171890526 641021337 /nfs/dbraw/zinc/02/13/37/641021337.db2.gz XWLZGXUCJNADPF-SNVBAGLBSA-N 0 1 225.361 2.548 20 0 BFADMN CC(C)(CC[N@H+]1CCC[C@H]2CCC[C@@H]21)C(=O)[O-] ZINC000087785915 641037911 /nfs/dbraw/zinc/03/79/11/641037911.db2.gz KPZOQMOOJZTIJF-NEPJUHHUSA-N 0 1 239.359 2.752 20 0 BFADMN Cc1noc(C)c1[C@H](C)NC/C=C/Cl ZINC000230616885 641074473 /nfs/dbraw/zinc/07/44/73/641074473.db2.gz JOVPPEMGJJNGJV-KPJROHGDSA-N 0 1 214.696 2.695 20 0 BFADMN Cc1ccc([C@@H](C)NCc2ccno2)s1 ZINC000230635661 641076144 /nfs/dbraw/zinc/07/61/44/641076144.db2.gz HOQDQJCGMAPERA-SECBINFHSA-N 0 1 222.313 2.895 20 0 BFADMN Cc1csc(CN[C@@H](C)Cc2ccco2)n1 ZINC000062771921 641089766 /nfs/dbraw/zinc/08/97/66/641089766.db2.gz YSYYUHLTHFOCIL-VIFPVBQESA-N 0 1 236.340 2.765 20 0 BFADMN C[C@H](NC/C=C\Cl)c1cncs1 ZINC000934198893 641099252 /nfs/dbraw/zinc/09/92/52/641099252.db2.gz QTZZKUKBIBJNQR-XDVGHUOJSA-N 0 1 202.710 2.546 20 0 BFADMN CCCCC1(N[C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000934200425 641099791 /nfs/dbraw/zinc/09/97/91/641099791.db2.gz HZGNZVPTCIQSQK-SNVBAGLBSA-N 0 1 236.363 2.741 20 0 BFADMN CCCCC1(NCc2ncc(Cl)n2C)CC1 ZINC000934209824 641103906 /nfs/dbraw/zinc/10/39/06/641103906.db2.gz SVCDAMPPSUXRRJ-UHFFFAOYSA-N 0 1 241.766 2.886 20 0 BFADMN Cc1csc(CN2CCCSC[C@@H]2C)n1 ZINC000934298058 641121132 /nfs/dbraw/zinc/12/11/32/641121132.db2.gz TUKQKEFJXSVUQN-JTQLQIEISA-N 0 1 242.413 2.779 20 0 BFADMN CCCN(CCC)Cn1cc[nH]c1=S ZINC000173300389 641164686 /nfs/dbraw/zinc/16/46/86/641164686.db2.gz IFSSXMKLZOOLEX-UHFFFAOYSA-N 0 1 213.350 2.625 20 0 BFADMN O[C@H]1CCN(CCCC2CCCCC2)C[C@@H]1F ZINC000934559592 641193812 /nfs/dbraw/zinc/19/38/12/641193812.db2.gz AEKFFADXBWWGFU-KBPBESRZSA-N 0 1 243.366 2.752 20 0 BFADMN C[C@H](C[N@H+]1CC[C@@H](O)[C@@H](F)C1)C1CCCCC1 ZINC000934565822 641196581 /nfs/dbraw/zinc/19/65/81/641196581.db2.gz NNXBOARPKSQRML-KWCYVHTRSA-N 0 1 243.366 2.608 20 0 BFADMN CC1(C)CCC(C[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000934570862 641200339 /nfs/dbraw/zinc/20/03/39/641200339.db2.gz NPMXTJMYMKJKET-CHWSQXEVSA-N 0 1 243.366 2.608 20 0 BFADMN CCCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000173914098 641217598 /nfs/dbraw/zinc/21/75/98/641217598.db2.gz BGSOOTWPDMVFBQ-LBPRGKRZSA-N 0 1 240.391 2.556 20 0 BFADMN CCc1cnc(CN[C@@H]2CC=CC[C@H]2C)o1 ZINC000934623671 641219931 /nfs/dbraw/zinc/21/99/31/641219931.db2.gz PSGTZCIEIBZMEL-ZYHUDNBSSA-N 0 1 220.316 2.681 20 0 BFADMN CCn1ncc(CNC2(C3CCCCC3)CC2)n1 ZINC000934787587 641272106 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ZINC000716171412 712553121 /nfs/dbraw/zinc/55/31/21/712553121.db2.gz RVATWPSNLPVFBS-UHFFFAOYSA-N 0 1 249.358 2.695 20 0 BFADMN Cc1n[nH]c(CN[C@@H]2CCCc3occc32)c1C ZINC000716440130 712560726 /nfs/dbraw/zinc/56/07/26/712560726.db2.gz LPNNGPGICCYYNI-GFCCVEGCSA-N 0 1 245.326 2.787 20 0 BFADMN Cc1n[nH]c(CN[C@H](C)c2ccsc2)c1C ZINC000716452963 712562121 /nfs/dbraw/zinc/56/21/21/712562121.db2.gz YKZWRQZCFCJCMR-SNVBAGLBSA-N 0 1 235.356 2.939 20 0 BFADMN CC(C)c1nnc(CNC2(C3CC3)CCC2)o1 ZINC000717834895 712686495 /nfs/dbraw/zinc/68/64/95/712686495.db2.gz GNNCJYCSLQOFQR-UHFFFAOYSA-N 0 1 235.331 2.615 20 0 BFADMN C/C=C/CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000384862883 712703518 /nfs/dbraw/zinc/70/35/18/712703518.db2.gz NFVFHSRMQKVINK-NSCUHMNNSA-N 0 1 240.690 2.914 20 0 BFADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cccs1 ZINC000080992363 712728908 /nfs/dbraw/zinc/72/89/08/712728908.db2.gz TVMZOHOXSROXOT-LLVKDONJSA-N 0 1 239.340 2.577 20 0 BFADMN Cc1cccc(C)c1C[N@@H+](C)CCCCC(=O)[O-] ZINC000719378741 712807137 /nfs/dbraw/zinc/80/71/37/712807137.db2.gz WGRGTTXWXSOVMN-UHFFFAOYSA-N 0 1 249.354 2.990 20 0 BFADMN Cc1oncc1CN[C@@H](C)c1ccsc1 ZINC000380305377 712867674 /nfs/dbraw/zinc/86/76/74/712867674.db2.gz FLQCGDVYKQKELI-QMMMGPOBSA-N 0 1 222.313 2.895 20 0 BFADMN Cc1cccc2nc(-c3ccns3)[nH]c21 ZINC000705405146 957210320 /nfs/dbraw/zinc/21/03/20/957210320.db2.gz QUWXFYRWEWLREC-UHFFFAOYSA-N 0 1 215.281 2.995 20 0 BFADMN CC(C)(CC[N@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000083638603 957828834 /nfs/dbraw/zinc/82/88/34/957828834.db2.gz KPVGOLAALWYGSA-UHFFFAOYSA-N 0 1 227.348 2.609 20 0 BFADMN CCn1ccnc1CN1CC[C@@H](C)C[C@@H]1C ZINC001207145598 958212018 /nfs/dbraw/zinc/21/20/18/958212018.db2.gz MGJCBSABRWVULA-NEPJUHHUSA-N 0 1 221.348 2.523 20 0 BFADMN CCCCC[C@H](C)NCc1nccc(C)n1 ZINC000707900187 958795245 /nfs/dbraw/zinc/79/52/45/958795245.db2.gz NIDKOOCWWGUHNW-NSHDSACASA-N 0 1 221.348 2.843 20 0 BFADMN CC1(C)C[C@H](CN2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001207352581 959212907 /nfs/dbraw/zinc/21/29/07/959212907.db2.gz IJJVJAQZIDAKMW-WOPDTQHZSA-N 0 1 247.329 2.574 20 0 BFADMN CC(C)CN(C)Cc1cc(Cl)ncc1F ZINC001140603643 960452746 /nfs/dbraw/zinc/45/27/46/960452746.db2.gz WRBSLPVXTYFUOK-UHFFFAOYSA-N 0 1 230.714 2.962 20 0 BFADMN CN(Cc1cccc2nc[nH]c21)CC(F)(F)F ZINC001142672966 961585249 /nfs/dbraw/zinc/58/52/49/961585249.db2.gz UBPFPFMLNXXLTI-UHFFFAOYSA-N 0 1 243.232 2.557 20 0 BFADMN COc1cc(C)cc(OC)c1CN1CC[C@H]1C ZINC001143132353 961885942 /nfs/dbraw/zinc/88/59/42/961885942.db2.gz ALYYXGAPMLTBBF-LLVKDONJSA-N 0 1 235.327 2.606 20 0 BFADMN COc1c(F)ccc(CN2CC[C@@H](C)C2)c1F ZINC001143320434 962026571 /nfs/dbraw/zinc/02/65/71/962026571.db2.gz JIQSUVATQMFNDI-SECBINFHSA-N 0 1 241.281 2.815 20 0 BFADMN CCCC[C@H](CCC)CNC(=O)[C@@H](C)N(C)C ZINC001149845294 962129192 /nfs/dbraw/zinc/12/91/92/962129192.db2.gz RICUQZZITYWGKM-OLZOCXBDSA-N 0 1 242.407 2.659 20 0 BFADMN O=C(Nc1ccsc1)c1cccc(F)c1O ZINC001126412511 962644818 /nfs/dbraw/zinc/64/48/18/962644818.db2.gz JDSKVYCIYHWUAB-UHFFFAOYSA-N 0 1 237.255 2.845 20 0 BFADMN C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C(F)F ZINC000712500254 962907688 /nfs/dbraw/zinc/90/76/88/962907688.db2.gz BIHNJYWNRRCSCM-XKNYDFJKSA-N 0 1 203.276 2.808 20 0 BFADMN CC[C@@H](C)[C@@H](C)Oc1cccc2[nH]nnc21 ZINC001225991359 962962710 /nfs/dbraw/zinc/96/27/10/962962710.db2.gz ZSMBGGLJOYPMSV-RKDXNWHRSA-N 0 1 219.288 2.771 20 0 BFADMN COc1cc(CNC(C)(C)CF)ccc1F ZINC000390501424 963132723 /nfs/dbraw/zinc/13/27/23/963132723.db2.gz UUMQPJKHFNBMDS-UHFFFAOYSA-N 0 1 229.270 2.672 20 0 BFADMN CC[C@H](C)Nc1ccnc2c1ccn2C ZINC001168002518 963236382 /nfs/dbraw/zinc/23/63/82/963236382.db2.gz AFHZDFUAWYTLLZ-VIFPVBQESA-N 0 1 203.289 2.784 20 0 BFADMN CC[C@@H]1CC[C@H](C)[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000309148709 963328148 /nfs/dbraw/zinc/32/81/48/963328148.db2.gz ODEOZQGIJPRINI-DXGKCEBASA-N 0 1 225.332 2.528 20 0 BFADMN CC[N@@H+](Cc1csc(C)c1)C(C)(C)C(=O)[O-] ZINC000309234423 963333058 /nfs/dbraw/zinc/33/30/58/963333058.db2.gz USKNSSONYBSKHB-UHFFFAOYSA-N 0 1 241.356 2.742 20 0 BFADMN COC(C)(C)[C@@H]1CCCN1Cc1cscn1 ZINC001137596332 964694089 /nfs/dbraw/zinc/69/40/89/964694089.db2.gz YPVGZWWEOKSCMV-NSHDSACASA-N 0 1 240.372 2.533 20 0 BFADMN CC(C)(C)CCNc1cc(N)c(F)cn1 ZINC001161673270 964677239 /nfs/dbraw/zinc/67/72/39/964677239.db2.gz BOHPPJCSJOEHDG-UHFFFAOYSA-N 0 1 211.284 2.651 20 0 BFADMN CC(C)(C)N1CC(Nc2ccc(Cl)cn2)C1 ZINC001162220086 964878982 /nfs/dbraw/zinc/87/89/82/964878982.db2.gz IZQGBLFQYFFKBU-UHFFFAOYSA-N 0 1 239.750 2.630 20 0 BFADMN CCCN(CC)c1cc(Cl)nc2[nH]cnc21 ZINC001163601910 965474705 /nfs/dbraw/zinc/47/47/05/965474705.db2.gz GWIBMKIDEZHEQR-UHFFFAOYSA-N 0 1 238.722 2.848 20 0 BFADMN CN[C@H]1CCN1Cc1ccc(C(C)(C)C)cc1 ZINC001236168774 966285316 /nfs/dbraw/zinc/28/53/16/966285316.db2.gz XIWXVBHCAIGTJP-CQSZACIVSA-N 0 1 232.371 2.735 20 0 BFADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c([O-])c1 ZINC001236701189 966513245 /nfs/dbraw/zinc/51/32/45/966513245.db2.gz CBNUSLNPBVXIAW-SNVBAGLBSA-N 0 1 223.291 2.906 20 0 BFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1 ZINC001236701189 966513252 /nfs/dbraw/zinc/51/32/52/966513252.db2.gz CBNUSLNPBVXIAW-SNVBAGLBSA-N 0 1 223.291 2.906 20 0 BFADMN CCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001203922307 966821609 /nfs/dbraw/zinc/82/16/09/966821609.db2.gz PZWHUUKBZHJGJM-CYBMUJFWSA-N 0 1 239.746 2.951 20 0 BFADMN CCCC1CCN([C@H](CC)C(=O)OCC)CC1 ZINC000084120860 966905730 /nfs/dbraw/zinc/90/57/30/966905730.db2.gz MZKDCMNNRYZMGN-CYBMUJFWSA-N 0 1 241.375 2.840 20 0 BFADMN FC1(F)C[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2C1 ZINC001204241982 966937878 /nfs/dbraw/zinc/93/78/78/966937878.db2.gz NROYGTXLAAWTIU-PHIMTYICSA-N 0 1 227.254 2.757 20 0 BFADMN COc1ccc(C[N@@H+](C)C2CC(C)C2)nc1C ZINC001249892203 967133988 /nfs/dbraw/zinc/13/39/88/967133988.db2.gz NKUSOIGQOZOEKB-UHFFFAOYSA-N 0 1 234.343 2.629 20 0 BFADMN CCOc1cc(OC)ccc1CN1CC[C@@H]1C ZINC001250051403 967313751 /nfs/dbraw/zinc/31/37/51/967313751.db2.gz KBWQCOHTUHAKIW-NSHDSACASA-N 0 1 235.327 2.688 20 0 BFADMN CSCCCNc1cn2ccnc2cc1C ZINC001163874704 968126143 /nfs/dbraw/zinc/12/61/43/968126143.db2.gz KCXQKNWQJZFCDI-UHFFFAOYSA-N 0 1 235.356 2.808 20 0 BFADMN Cc1nc(CN2C[C@H](C)CC23CC3)cs1 ZINC001206806369 968485863 /nfs/dbraw/zinc/48/58/63/968485863.db2.gz XWZCFYVWXPYTRY-SECBINFHSA-N 0 1 222.357 2.826 20 0 BFADMN C[C@@H]1[C@@H](C)CCCN1Cc1ncccc1F ZINC001207033048 968563851 /nfs/dbraw/zinc/56/38/51/968563851.db2.gz NZSCDZUOAOJHQD-WDEREUQCSA-N 0 1 222.307 2.841 20 0 BFADMN CC(C)OC1CN(CC2CCC(F)(F)CC2)C1 ZINC001207349197 968732191 /nfs/dbraw/zinc/73/21/91/968732191.db2.gz KESZDZKPACEXME-UHFFFAOYSA-N 0 1 247.329 2.921 20 0 BFADMN CCN(CCCC1CCCC1)[C@@H](C)C(=O)OC ZINC001208093507 968997645 /nfs/dbraw/zinc/99/76/45/968997645.db2.gz USMAMPVPIKNWEA-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN CC/C=C\CCCN1CC2(C1)CCCO2 ZINC001208133415 969029815 /nfs/dbraw/zinc/02/98/15/969029815.db2.gz CNLRLDWTCHFHQG-ARJAWSKDSA-N 0 1 209.333 2.598 20 0 BFADMN C[N@H+]1CCC=C(c2ccccc2[S-])C1 ZINC001241569879 969062018 /nfs/dbraw/zinc/06/20/18/969062018.db2.gz TYGZDGSHTZLFPL-UHFFFAOYSA-N 0 1 205.326 2.694 20 0 BFADMN C[C@@H](CCN1C[C@@H]2C[C@H]1CO2)CC(C)(C)C ZINC001208664030 969176267 /nfs/dbraw/zinc/17/62/67/969176267.db2.gz LDCKYQQEVFZJKH-AVGNSLFASA-N 0 1 225.376 2.922 20 0 BFADMN C[C@@H]1c2cccn2CC[N@H+]1C1CCSCC1 ZINC001255094406 969931275 /nfs/dbraw/zinc/93/12/75/969931275.db2.gz WPCITVOHUJTRGC-LLVKDONJSA-N 0 1 236.384 2.760 20 0 BFADMN C[C@@H]1c2cccn2CCN1C1CCSCC1 ZINC001255094406 969931277 /nfs/dbraw/zinc/93/12/77/969931277.db2.gz WPCITVOHUJTRGC-LLVKDONJSA-N 0 1 236.384 2.760 20 0 BFADMN CC(C)CCC[C@H](C)N1CCO[C@H]2C[C@H]21 ZINC001170087851 970218759 /nfs/dbraw/zinc/21/87/59/970218759.db2.gz MGQKOQRCVIXIEI-XQQFMLRXSA-N 0 1 211.349 2.674 20 0 BFADMN C[C@@H](CC(F)(F)F)N1CCc2ncccc2C1 ZINC001255656733 970437776 /nfs/dbraw/zinc/43/77/76/970437776.db2.gz AGNPLVZEXDQKQL-VIFPVBQESA-N 0 1 244.260 2.781 20 0 BFADMN CC(=O)CN(C)[C@H](C)Cc1ccccc1Cl ZINC001170267783 970645220 /nfs/dbraw/zinc/64/52/20/970645220.db2.gz YJKJFCJANSILPI-SNVBAGLBSA-N 0 1 239.746 2.792 20 0 BFADMN CC[C@H]1CC[C@H](N2C[C@@H](F)C[C@H]2CF)C1 ZINC001173273156 975151700 /nfs/dbraw/zinc/15/17/00/975151700.db2.gz MJKCFYKMOHPBNZ-BJDJZHNGSA-N 0 1 217.303 2.947 20 0 BFADMN CC[C@H](Oc1nc(=O)[nH]c(C)c1Cl)C(C)C ZINC001227113102 975280343 /nfs/dbraw/zinc/28/03/43/975280343.db2.gz SUPWZIAJXSHFOI-QMMMGPOBSA-N 0 1 244.722 2.957 20 0 BFADMN Cc1[nH]c(=O)nc(O[C@H](C)CC(C)C)c1Cl ZINC001227111924 975281198 /nfs/dbraw/zinc/28/11/98/975281198.db2.gz SVBHRKKJLLEPDD-SSDOTTSWSA-N 0 1 244.722 2.957 20 0 BFADMN Clc1ccc(Nc2ccncc2)c(Cl)n1 ZINC001173879176 975909605 /nfs/dbraw/zinc/90/96/05/975909605.db2.gz JOLLZYKXHBFGHO-UHFFFAOYSA-N 0 1 240.093 2.949 20 0 BFADMN CN(C)c1nccnc1N=CCC(C)(C)C ZINC001175569498 977556299 /nfs/dbraw/zinc/55/62/99/977556299.db2.gz UBAXZERNRFTEIF-VOTSOKGWSA-N 0 1 220.320 2.514 20 0 BFADMN CC[N@H+](CCOC)Cc1ccc(Cl)c([O-])c1 ZINC001231733563 977721286 /nfs/dbraw/zinc/72/12/86/977721286.db2.gz YRVKEMGLVGBAOL-UHFFFAOYSA-N 0 1 243.734 2.514 20 0 BFADMN CC[N@@H+](CCOC)Cc1ccc(Cl)c([O-])c1 ZINC001231733563 977721302 /nfs/dbraw/zinc/72/13/02/977721302.db2.gz YRVKEMGLVGBAOL-UHFFFAOYSA-N 0 1 243.734 2.514 20 0 BFADMN Cc1ccc(Nc2ncc[nH]2)c(Cl)n1 ZINC001176080732 977875136 /nfs/dbraw/zinc/87/51/36/977875136.db2.gz WVNCMDIQWXCBAM-UHFFFAOYSA-N 0 1 208.652 2.510 20 0 BFADMN FC1(F)CC[C@@H]2CN(Cc3ccns3)C[C@@H]21 ZINC001232188573 977908879 /nfs/dbraw/zinc/90/88/79/977908879.db2.gz FQDPWGKDNVCRAK-SCZZXKLOSA-N 0 1 244.310 2.620 20 0 BFADMN Cc1scnc1CN1CCCCCC1 ZINC001232204564 977924081 /nfs/dbraw/zinc/92/40/81/977924081.db2.gz QTWVOYWFXOGPAH-UHFFFAOYSA-N 0 1 210.346 2.828 20 0 BFADMN c1nscc1CN1CCC2(CCC2)CC1 ZINC001232226052 977949078 /nfs/dbraw/zinc/94/90/78/977949078.db2.gz LUNMTEDVYCSDOP-UHFFFAOYSA-N 0 1 222.357 2.909 20 0 BFADMN CN(Cc1cnsc1)CC1CC(F)(F)C1 ZINC001232230283 977962778 /nfs/dbraw/zinc/96/27/78/977962778.db2.gz HIHIEULKJJNQCW-UHFFFAOYSA-N 0 1 232.299 2.620 20 0 BFADMN c1nscc1CN1CCC2(CCC2)C1 ZINC001232230823 977966145 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[CH2]CCN(CC[NH3+])[C@H](C)C[C@@H](C)CC(C)C ZINC001258060639 990956387 /nfs/dbraw/zinc/95/63/87/990956387.db2.gz IBMGSJPTKVUHGZ-UONOGXRCSA-N 0 1 227.416 2.932 20 0 BFADMN Cn1c2ccccc2nc1CN1CCCC12CC2 ZINC001138375376 990923397 /nfs/dbraw/zinc/92/33/97/990923397.db2.gz JUGFIMSMOOZYOR-UHFFFAOYSA-N 0 1 241.338 2.702 20 0 BFADMN Cc1cccc2c1CN(Cc1ncccc1O)C2 ZINC001138391598 990928230 /nfs/dbraw/zinc/92/82/30/990928230.db2.gz QCYFWANKPJHLSX-UHFFFAOYSA-N 0 1 240.306 2.611 20 0 BFADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001138393940 990929855 /nfs/dbraw/zinc/92/98/55/990929855.db2.gz BBHYNWOHVIUMDW-GXTWGEPZSA-N 0 1 246.354 2.942 20 0 BFADMN [O-]c1cccnc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001138393940 990929860 /nfs/dbraw/zinc/92/98/60/990929860.db2.gz BBHYNWOHVIUMDW-GXTWGEPZSA-N 0 1 246.354 2.942 20 0 BFADMN [O-]c1cccnc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001138396669 990934397 /nfs/dbraw/zinc/93/43/97/990934397.db2.gz XINLVHMVHNSOKR-CHWSQXEVSA-N 0 1 246.354 2.799 20 0 BFADMN COCC1CN(Cc2[nH]c3ccccc3c2C)C1 ZINC001138397483 990940119 /nfs/dbraw/zinc/94/01/19/990940119.db2.gz UVCMVVKEQZFTKG-UHFFFAOYSA-N 0 1 244.338 2.555 20 0 BFADMN COc1c(C)cc(CN(C)C2(C)COC2)cc1C ZINC001138429151 990942590 /nfs/dbraw/zinc/94/25/90/990942590.db2.gz WJBOUGKQJAEGKM-UHFFFAOYSA-N 0 1 249.354 2.533 20 0 BFADMN COc1c(F)cc(CN2CC[C@@H](C)C2)cc1F ZINC001138421428 990943917 /nfs/dbraw/zinc/94/39/17/990943917.db2.gz OVSVKPHNQKZCIE-SECBINFHSA-N 0 1 241.281 2.815 20 0 BFADMN COCC1CN(Cc2cc3cc(C)ccc3[nH]2)C1 ZINC001138417823 990945506 /nfs/dbraw/zinc/94/55/06/990945506.db2.gz BMAYMDAXXWIXFO-UHFFFAOYSA-N 0 1 244.338 2.555 20 0 BFADMN CC(C)C[C@H](C)C[C@H](C)N1CCC12COC2 ZINC001258067447 990963411 /nfs/dbraw/zinc/96/34/11/990963411.db2.gz ARYJBLTWPFJYNJ-STQMWFEESA-N 0 1 225.376 2.922 20 0 BFADMN COC(=O)[C@H](C)N(C)[C@H](C)C[C@@H](C)CC(C)C ZINC001258069332 990966153 /nfs/dbraw/zinc/96/61/53/990966153.db2.gz HNBXQUPVXUDNNC-XQQFMLRXSA-N 0 1 243.391 2.941 20 0 BFADMN CC(C)=CCC[C@@H](C)n1ccnc1CN ZINC001258078629 990977412 /nfs/dbraw/zinc/97/74/12/990977412.db2.gz ZJDXNXDMVNKFNI-LLVKDONJSA-N 0 1 207.321 2.649 20 0 BFADMN c1nc2ccc(NCc3cncs3)cc2[nH]1 ZINC001308397967 990981466 /nfs/dbraw/zinc/98/14/66/990981466.db2.gz AJMRBTBRGYZHJB-UHFFFAOYSA-N 0 1 230.296 2.632 20 0 BFADMN CC[C@@](C)(NCc1nn(C)cc1Cl)C1CC1 ZINC001308468633 991000500 /nfs/dbraw/zinc/00/05/00/991000500.db2.gz KOHOTZXNEQQYJT-GFCCVEGCSA-N 0 1 241.766 2.742 20 0 BFADMN CC[C@@H]1CCCN1Cc1cnc(SC)nc1 ZINC001138706166 991011731 /nfs/dbraw/zinc/01/17/31/991011731.db2.gz QWTGORFLKHBSCJ-LLVKDONJSA-N 0 1 237.372 2.573 20 0 BFADMN Cc1coc(CNC2C[C@H](C)C[C@@H](C)C2)n1 ZINC001258151170 991034478 /nfs/dbraw/zinc/03/44/78/991034478.db2.gz FVPPSKHWFQPFNR-NXEZZACHSA-N 0 1 222.332 2.897 20 0 BFADMN C[C@H]1CC(NCc2ncco2)C[C@H](C)C1 ZINC001258152396 991036934 /nfs/dbraw/zinc/03/69/34/991036934.db2.gz SDJJWWHNZQPNRX-NXEZZACHSA-N 0 1 208.305 2.589 20 0 BFADMN CCN(Cc1ccnn1[C@@H]1CCCCO1)C1CC1 ZINC001138773415 991040971 /nfs/dbraw/zinc/04/09/71/991040971.db2.gz CVIGRRVXYAWWGF-AWEZNQCLSA-N 0 1 249.358 2.567 20 0 BFADMN C[C@@H]1CC(N2C[C@@H](F)[C@H](F)C2)C[C@@H](C)C1 ZINC001258160993 991047294 /nfs/dbraw/zinc/04/72/94/991047294.db2.gz WYAFDCOTVOYTIC-GAIPPQHRSA-N 0 1 217.303 2.803 20 0 BFADMN Cc1cc(C)cc(CCN2C[C@@H](C)OC[C@H]2C)c1 ZINC001308584548 991048154 /nfs/dbraw/zinc/04/81/54/991048154.db2.gz JMVWHNNSYREDSD-HUUCEWRRSA-N 0 1 247.382 2.955 20 0 BFADMN C[C@@H]1CC(N2C[C@@H](F)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258160992 991048870 /nfs/dbraw/zinc/04/88/70/991048870.db2.gz WYAFDCOTVOYTIC-FSZOTQKASA-N 0 1 217.303 2.803 20 0 BFADMN Cc1cc(C)cc(CCN2C[C@H](C)OC[C@@H]2C)c1 ZINC001308584546 991049904 /nfs/dbraw/zinc/04/99/04/991049904.db2.gz JMVWHNNSYREDSD-GJZGRUSLSA-N 0 1 247.382 2.955 20 0 BFADMN CC[C@H]1CCCN(Cc2cccnc2F)C1 ZINC001138793007 991058485 /nfs/dbraw/zinc/05/84/85/991058485.db2.gz FFOUGDMKCOYOQA-NSHDSACASA-N 0 1 222.307 2.843 20 0 BFADMN C[C@H]1CC[N@@H+](Cc2cccc3ccnn32)[C@@H](C)C1 ZINC001138805536 991064464 /nfs/dbraw/zinc/06/44/64/991064464.db2.gz BWARGVAUCBSFDG-STQMWFEESA-N 0 1 243.354 2.955 20 0 BFADMN C[C@@H](Cc1ccco1)N1CCC(=O)[C@@H](C)CC1 ZINC001258186521 991093015 /nfs/dbraw/zinc/09/30/15/991093015.db2.gz OEUDCWCHXOZWME-RYUDHWBXSA-N 0 1 235.327 2.512 20 0 BFADMN C[C@@H](Cc1ccco1)N1CCC(=O)[C@H](C)CC1 ZINC001258186519 991093266 /nfs/dbraw/zinc/09/32/66/991093266.db2.gz OEUDCWCHXOZWME-NEPJUHHUSA-N 0 1 235.327 2.512 20 0 BFADMN CC(C)[C@H]1CN([C@H](C)Cc2ccco2)CCO1 ZINC001258194746 991103909 /nfs/dbraw/zinc/10/39/09/991103909.db2.gz KLEMMQBOCFCJSU-TZMCWYRMSA-N 0 1 237.343 2.567 20 0 BFADMN Cc1c[nH]c(CN2CCC[C@H]3CCCC[C@H]32)n1 ZINC001138939953 991110669 /nfs/dbraw/zinc/11/06/69/991110669.db2.gz XBATZAKZJZDMIC-CHWSQXEVSA-N 0 1 233.359 2.873 20 0 BFADMN C[C@@H](Cc1ccco1)N1CCC(=O)C(C)(C)C1 ZINC001258195780 991112276 /nfs/dbraw/zinc/11/22/76/991112276.db2.gz UITYICGJXPHBCT-NSHDSACASA-N 0 1 235.327 2.512 20 0 BFADMN CC(C)Oc1cccc(CN2CCC2)c1 ZINC001138985661 991118459 /nfs/dbraw/zinc/11/84/59/991118459.db2.gz YUYWDTROBHQJTP-UHFFFAOYSA-N 0 1 205.301 2.680 20 0 BFADMN CCc1nc(CN[C@H]2C[C@@H]3CCCC[C@@H]32)co1 ZINC001308770181 991125518 /nfs/dbraw/zinc/12/55/18/991125518.db2.gz RGPULGQLPJFUIH-DRZSPHRISA-N 0 1 234.343 2.905 20 0 BFADMN c1c2ccccc2oc1CN1CC2(CSC2)C1 ZINC001139064005 991138085 /nfs/dbraw/zinc/13/80/85/991138085.db2.gz IYIPFEFJOHGHHA-UHFFFAOYSA-N 0 1 245.347 2.982 20 0 BFADMN Cc1n[nH]c(C)c1CN1CCCC[C@@](C)(F)C1 ZINC001139094815 991141234 /nfs/dbraw/zinc/14/12/34/991141234.db2.gz ZFHSBYZFXCQMML-CYBMUJFWSA-N 0 1 239.338 2.741 20 0 BFADMN CC(C)COC(=O)CN1C[C@@H](C)CCC[C@H]1C ZINC001559547069 991144592 /nfs/dbraw/zinc/14/45/92/991144592.db2.gz NJXLWCMNRHKZFC-QWHCGFSZSA-N 0 1 241.375 2.696 20 0 BFADMN COc1cc(O)ccc1C[N@H+]1CCCC12CC2 ZINC001139139033 991164906 /nfs/dbraw/zinc/16/49/06/991164906.db2.gz TUTMMOYLTLNYFA-UHFFFAOYSA-N 0 1 233.311 2.529 20 0 BFADMN F[C@@H]1CCN(Cc2ccc3cccnc3c2)C1 ZINC001139165683 991177390 /nfs/dbraw/zinc/17/73/90/991177390.db2.gz GQFFRYJRWOJZST-CYBMUJFWSA-N 0 1 230.286 2.779 20 0 BFADMN CC1(C)CCC[C@@H](N2C[C@@H](F)[C@@H](F)C2)C1 ZINC001258285888 991219312 /nfs/dbraw/zinc/21/93/12/991219312.db2.gz OJDCUONURVKLAF-MXWKQRLJSA-N 0 1 217.303 2.947 20 0 BFADMN Cc1cccc2c1CN(Cc1ccc(=O)[nH]c1)C2 ZINC001139463881 991246640 /nfs/dbraw/zinc/24/66/40/991246640.db2.gz PKIOKTPJUAFXHW-UHFFFAOYSA-N 0 1 240.306 2.611 20 0 BFADMN CSC(C)(C)C[C@H](C)n1c(C)cnc1CN ZINC001258323893 991246873 /nfs/dbraw/zinc/24/68/73/991246873.db2.gz JEDGGTLAXITMOI-VIFPVBQESA-N 0 1 241.404 2.743 20 0 BFADMN CN(C)Cc1ccc(-c2ccccc2)nc1 ZINC001139516201 991257048 /nfs/dbraw/zinc/25/70/48/991257048.db2.gz XEPJPNKRTVFCJT-UHFFFAOYSA-N 0 1 212.296 2.810 20 0 BFADMN CCCN(CC1=CCCC1)[C@H](C)C(=O)OCC ZINC001559806263 991268825 /nfs/dbraw/zinc/26/88/25/991268825.db2.gz OVCVHCHYYFQQFI-GFCCVEGCSA-N 0 1 239.359 2.760 20 0 BFADMN CCCN(CCOC)Cc1cc(Cl)ccn1 ZINC001139559473 991273702 /nfs/dbraw/zinc/27/37/02/991273702.db2.gz HDPMHOIYEGUNNN-UHFFFAOYSA-N 0 1 242.750 2.593 20 0 BFADMN CCOc1ccncc1CN1CCC[C@@H](C)C1 ZINC001139627018 991302223 /nfs/dbraw/zinc/30/22/23/991302223.db2.gz CDKQPZXWPOKKGY-GFCCVEGCSA-N 0 1 234.343 2.712 20 0 BFADMN Cc1cc(O)cc(C)c1CN1C[C@H](F)C[C@H]1C ZINC001139712426 991335405 /nfs/dbraw/zinc/33/54/05/991335405.db2.gz RFXFLOSKNBYCPR-VXGBXAGGSA-N 0 1 237.318 2.941 20 0 BFADMN CCCN1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001559929596 991339900 /nfs/dbraw/zinc/33/99/00/991339900.db2.gz OGTDWADZFMWAAL-NWDGAFQWSA-N 0 1 241.375 2.839 20 0 BFADMN CC[C@H](C)N(C)Cc1cc(Cl)cnc1OC ZINC001139746062 991353018 /nfs/dbraw/zinc/35/30/18/991353018.db2.gz UCEFYGWNPSMKOL-VIFPVBQESA-N 0 1 242.750 2.974 20 0 BFADMN CCCCC[C@H]1CCCCN1CC(=O)OC ZINC001560017392 991356353 /nfs/dbraw/zinc/35/63/53/991356353.db2.gz IILXMSPSKDHSJS-LBPRGKRZSA-N 0 1 227.348 2.594 20 0 BFADMN CCCCC[C@@H](CC)N1CC2(CCO2)C1 ZINC001258446281 991389953 /nfs/dbraw/zinc/38/99/53/991389953.db2.gz PGFGGBZJTIHDAM-GFCCVEGCSA-N 0 1 211.349 2.820 20 0 BFADMN Cc1ccc2c(c1)[C@@H](N[C@H](C)CC1CC1)C(=O)N2 ZINC001258448234 991396535 /nfs/dbraw/zinc/39/65/35/991396535.db2.gz SDINEKPCBSESEE-QMTHXVAHSA-N 0 1 244.338 2.766 20 0 BFADMN Clc1cnccc1CN1CCCC12CC2 ZINC001139845965 991403248 /nfs/dbraw/zinc/40/32/48/991403248.db2.gz YZYMHQDGFHSZLR-UHFFFAOYSA-N 0 1 222.719 2.863 20 0 BFADMN CO[C@@H]1CN(Cc2ccccc2C2CC2)C[C@@H]1F ZINC001139880156 991410929 /nfs/dbraw/zinc/41/09/29/991410929.db2.gz BFEOXSPNVHNMJL-LSDHHAIUSA-N 0 1 249.329 2.733 20 0 BFADMN C[C@@H](CC1CC1)N1CCC(F)(F)[C@@H](F)C1 ZINC001258464498 991425847 /nfs/dbraw/zinc/42/58/47/991425847.db2.gz KTUIBGQAGZHWNE-WPRPVWTQSA-N 0 1 221.266 2.854 20 0 BFADMN C[C@H](CC1CC1)N1C[C@@H](F)C[C@H]1CF ZINC001258461589 991421254 /nfs/dbraw/zinc/42/12/54/991421254.db2.gz JQCXFWAXBTYOBJ-MIMYLULJSA-N 0 1 203.276 2.557 20 0 BFADMN C[C@H](CC1CC1)N1CCO[C@H](c2ccncc2)C1 ZINC001258472558 991440270 /nfs/dbraw/zinc/44/02/70/991440270.db2.gz KGITVFQVESASEF-DOMZBBRYSA-N 0 1 246.354 2.644 20 0 BFADMN Cc1ccc(CN(C)Cc2ccnnc2)cc1C ZINC001139987063 991465713 /nfs/dbraw/zinc/46/57/13/991465713.db2.gz WSJRKRIEXWDFMV-UHFFFAOYSA-N 0 1 241.338 2.725 20 0 BFADMN CCCC1CCC(N[C@H]2CCSC2=O)CC1 ZINC001258528623 991472529 /nfs/dbraw/zinc/47/25/29/991472529.db2.gz UVWCBRVMZMSBAZ-MCIGGMRASA-N 0 1 241.400 2.967 20 0 BFADMN Cc1noc(C)c1CNc1ccc2nc[nH]c2c1 ZINC001560468120 991478692 /nfs/dbraw/zinc/47/86/92/991478692.db2.gz KIPQZDGATCKKCD-UHFFFAOYSA-N 0 1 242.282 2.780 20 0 BFADMN Oc1ccc(F)c(CN2C3CCC2CC3)c1 ZINC001140048428 991496570 /nfs/dbraw/zinc/49/65/70/991496570.db2.gz DUXWSHZCDMBGCW-UHFFFAOYSA-N 0 1 221.275 2.658 20 0 BFADMN CC1CC(N(C)Cc2cc(O)ccc2F)C1 ZINC001140049858 991498578 /nfs/dbraw/zinc/49/85/78/991498578.db2.gz FZPJPDGUPCQOTF-UHFFFAOYSA-N 0 1 223.291 2.762 20 0 BFADMN CC1(C)CC[C@H](NCc2nccc(Cl)n2)C1 ZINC001258596516 991499174 /nfs/dbraw/zinc/49/91/74/991499174.db2.gz JPIAOALIIWUWDD-VIFPVBQESA-N 0 1 239.750 2.798 20 0 BFADMN Cc1ncc2n1CCN([C@@H]1CCC(C)(C)C1)C2 ZINC001258600471 991500643 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YXWODCAGOJWBAQ-CYBMUJFWSA-N 0 1 237.318 2.943 20 0 BFADMN C[C@H]1c2cccn2CCN1C[C@]1(C)CCCCO1 ZINC001560720598 991574418 /nfs/dbraw/zinc/57/44/18/991574418.db2.gz YKAPPNBRDVAQPM-ZFWWWQNUSA-N 0 1 248.370 2.824 20 0 BFADMN C[N@@H+](Cc1ccncc1[O-])C1CCCCC1 ZINC001140274690 991578962 /nfs/dbraw/zinc/57/89/62/991578962.db2.gz DLSZOWURMNGMPJ-UHFFFAOYSA-N 0 1 220.316 2.552 20 0 BFADMN C[C@@]1(F)CCC[N@@H+](Cc2ccncc2[O-])CC1 ZINC001140273314 991579148 /nfs/dbraw/zinc/57/91/48/991579148.db2.gz BUQZSSZRZBKTGQ-CYBMUJFWSA-N 0 1 238.306 2.501 20 0 BFADMN CCC[N@@H+](Cc1ccncc1[O-])[C@H](C)CC ZINC001140273056 991583404 /nfs/dbraw/zinc/58/34/04/991583404.db2.gz ADCCAMJTBFITSQ-LLVKDONJSA-N 0 1 222.332 2.798 20 0 BFADMN CCC[C@@H](Cc1ccccc1)n1ccnc1CN ZINC001258649549 991583774 /nfs/dbraw/zinc/58/37/74/991583774.db2.gz KJQJPIKBBJGNSE-AWEZNQCLSA-N 0 1 243.354 2.926 20 0 BFADMN CCCCC[C@H](CCC)N(C)CC(=O)OC ZINC001258674361 991615451 /nfs/dbraw/zinc/61/54/51/991615451.db2.gz WBDYWZYHWXWCRS-LBPRGKRZSA-N 0 1 229.364 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ZINC001560918824 991653604 /nfs/dbraw/zinc/65/36/04/991653604.db2.gz JDARJANGBFRAIW-UKRRQHHQSA-N 0 1 246.354 2.855 20 0 BFADMN CO[C@H](C)CN[C@@H]1c2ccccc2CC[C@H]1F ZINC001560981674 991677577 /nfs/dbraw/zinc/67/75/77/991677577.db2.gz KCIVTUFFPBVNLQ-LERXQTSPSA-N 0 1 237.318 2.637 20 0 BFADMN CCCC[C@H](CCC)n1c(C)nnc1CN ZINC001258758420 991704377 /nfs/dbraw/zinc/70/43/77/991704377.db2.gz DVMGKMXVCOXBAY-NSHDSACASA-N 0 1 224.352 2.577 20 0 BFADMN Cc1n[nH]c(C)c1CNCc1c(C)cccc1F ZINC001318723687 991708266 /nfs/dbraw/zinc/70/82/66/991708266.db2.gz ADDJEOHRMIAIMT-UHFFFAOYSA-N 0 1 247.317 2.764 20 0 BFADMN CCCC[C@@H](CCC)N1CCO[C@@H](C(C)=O)C1 ZINC001258764322 991717054 /nfs/dbraw/zinc/71/70/54/991717054.db2.gz MUFRZMQKXDJRMT-ZIAGYGMSSA-N 0 1 241.375 2.635 20 0 BFADMN CC[C@@H](C)C[C@H](CC)NCc1ncco1 ZINC001258777760 991747765 /nfs/dbraw/zinc/74/77/65/991747765.db2.gz HURCZELYTOCXIC-MNOVXSKESA-N 0 1 210.321 2.979 20 0 BFADMN CC1(C)C[N@@H+](Cc2ccccn2)C1(C)C ZINC001319021863 991764119 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/nfs/dbraw/zinc/10/50/71/992105071.db2.gz VWYOCFNXOXCJSV-ZDUSSCGKSA-N 0 1 241.375 2.983 20 0 BFADMN CC(C)c1ncc(C(=O)N2CC[C@@H](C)C[C@H]2C)[nH]1 ZINC001299688943 992121236 /nfs/dbraw/zinc/12/12/36/992121236.db2.gz NVZASJPBTYXEGZ-GHMZBOCLSA-N 0 1 249.358 2.794 20 0 BFADMN CCC(C)(C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320206969 992133561 /nfs/dbraw/zinc/13/35/61/992133561.db2.gz POYFTICRBYGWMH-NSHDSACASA-N 0 1 249.358 2.566 20 0 BFADMN COC[C@H](NCc1ncoc1C(C)C)C(C)C ZINC001320221192 992137967 /nfs/dbraw/zinc/13/79/67/992137967.db2.gz SBYIWSGUGCUZJN-LBPRGKRZSA-N 0 1 240.347 2.559 20 0 BFADMN Cc1cc(CNc2cc3c(cn2)CCCC3)[nH]n1 ZINC001261210879 992194915 /nfs/dbraw/zinc/19/49/15/992194915.db2.gz CJCZZQZUJGGMBJ-UHFFFAOYSA-N 0 1 242.326 2.604 20 0 BFADMN Cc1cc(CNc2cc3c(cn2)CCCC3)n[nH]1 ZINC001261210879 992194923 /nfs/dbraw/zinc/19/49/23/992194923.db2.gz CJCZZQZUJGGMBJ-UHFFFAOYSA-N 0 1 242.326 2.604 20 0 BFADMN CCN(Cc1nc(CC(C)C)no1)C(C)(C)C ZINC001261258853 992231275 /nfs/dbraw/zinc/23/12/75/992231275.db2.gz OPSIHKFPCPEJLV-UHFFFAOYSA-N 0 1 239.363 2.889 20 0 BFADMN CC1(C)C[N@@H+](CCc2cncs2)C1(C)C ZINC001261360099 992273143 /nfs/dbraw/zinc/27/31/43/992273143.db2.gz ZPZGYIDPBQLJRG-UHFFFAOYSA-N 0 1 224.373 2.806 20 0 BFADMN CCCC(C)(C)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001261510343 992358504 /nfs/dbraw/zinc/35/85/04/992358504.db2.gz VPBMPQFFFGUQIW-UHFFFAOYSA-N 0 1 238.335 2.693 20 0 BFADMN CCCC(C)(C)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001261510343 992358512 /nfs/dbraw/zinc/35/85/12/992358512.db2.gz VPBMPQFFFGUQIW-UHFFFAOYSA-N 0 1 238.335 2.693 20 0 BFADMN CCN(C(=O)c1ccc2cncn2c1C)C(C)C ZINC001320838216 992379281 /nfs/dbraw/zinc/37/92/81/992379281.db2.gz CEVVXKWHXQCABR-UHFFFAOYSA-N 0 1 245.326 2.513 20 0 BFADMN CC(C)=CCCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC001261589263 992412141 /nfs/dbraw/zinc/41/21/41/992412141.db2.gz ZSFPHEIIOPDASV-CHWSQXEVSA-N 0 1 239.359 2.759 20 0 BFADMN CC(C)(C)SCCSCc1nnc[nH]1 ZINC001261596748 992418934 /nfs/dbraw/zinc/41/89/34/992418934.db2.gz ISHHOTGSWBNJBN-UHFFFAOYSA-N 0 1 231.390 2.570 20 0 BFADMN c1nnc(CNc2ccc3c(c2)C=CCCC3)[nH]1 ZINC001261647447 992444790 /nfs/dbraw/zinc/44/47/90/992444790.db2.gz TVUFRBGMHUQXSK-UHFFFAOYSA-N 0 1 240.310 2.766 20 0 BFADMN CC[C@H](C)OC(=O)c1ccc2cncn2c1C ZINC001321069892 992445319 /nfs/dbraw/zinc/44/53/19/992445319.db2.gz GYTYTOLJJSJIDY-VIFPVBQESA-N 0 1 232.283 2.598 20 0 BFADMN C(=C/C1CC1)\CNCc1cnc(C2CC2)o1 ZINC001261829254 992526555 /nfs/dbraw/zinc/52/65/55/992526555.db2.gz JFHAGRZGUMEGNA-OWOJBTEDSA-N 0 1 218.300 2.608 20 0 BFADMN Cc1nnc(SC[C@H]2CCC(F)(F)C2)[nH]1 ZINC001261849001 992545558 /nfs/dbraw/zinc/54/55/58/992545558.db2.gz SMQCOVNNQWZXFO-ZETCQYMHSA-N 0 1 233.287 2.641 20 0 BFADMN CCCCC1=NN(Cc2ccccn2)C(=O)[C@@H]1C ZINC001261890341 992561353 /nfs/dbraw/zinc/56/13/53/992561353.db2.gz BHNGGTUFCHJKHX-LLVKDONJSA-N 0 1 245.326 2.606 20 0 BFADMN CCCCc1[nH]n(Cc2ccccn2)c(=O)c1C ZINC001261890341 992561363 /nfs/dbraw/zinc/56/13/63/992561363.db2.gz BHNGGTUFCHJKHX-LLVKDONJSA-N 0 1 245.326 2.606 20 0 BFADMN CC[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@@H]1C ZINC001573830548 992729338 /nfs/dbraw/zinc/72/93/38/992729338.db2.gz REEQZBPWCBGRDF-VXGBXAGGSA-N 0 1 239.359 2.752 20 0 BFADMN CCC[C@@H](C)CCC[N@@H+](C)CCCC(=O)[O-] ZINC001573831765 992729726 /nfs/dbraw/zinc/72/97/26/992729726.db2.gz IYFBFKNYTWTGJS-GFCCVEGCSA-N 0 1 229.364 2.999 20 0 BFADMN Cc1nc(C)n(C[C@H](O)c2cccc(C)c2)c1C ZINC001262168418 992738204 /nfs/dbraw/zinc/73/82/04/992738204.db2.gz WLZRWABWZJAIJL-HNNXBMFYSA-N 0 1 244.338 2.850 20 0 BFADMN CCc1cccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001573961099 992778105 /nfs/dbraw/zinc/77/81/05/992778105.db2.gz SVSSIUUKRQYTQC-HNNXBMFYSA-N 0 1 247.338 2.688 20 0 BFADMN Cc1sccc1NC(=O)[C@@H](N)c1ccccc1 ZINC001574207863 992819938 /nfs/dbraw/zinc/81/99/38/992819938.db2.gz FGTPALOBQPZVAK-LBPRGKRZSA-N 0 1 246.335 2.695 20 0 BFADMN CO[C@H]1CCN(Cc2ccc(CC(C)C)nc2)C1 ZINC001262357727 992855309 /nfs/dbraw/zinc/85/53/09/992855309.db2.gz UUGQQIWKDRENSL-HNNXBMFYSA-N 0 1 248.370 2.501 20 0 BFADMN CCc1[nH]nc(Cl)c1CNC/C=C\C1CC1 ZINC001262367158 992862601 /nfs/dbraw/zinc/86/26/01/992862601.db2.gz KFYYDLVCQCHJHC-ARJAWSKDSA-N 0 1 239.750 2.681 20 0 BFADMN CCN(Cc1nccn1C1CC1)C(C)(C)C ZINC001262372259 992865225 /nfs/dbraw/zinc/86/52/25/992865225.db2.gz MLLGZWMPYOLVSM-UHFFFAOYSA-N 0 1 221.348 2.838 20 0 BFADMN CCOc1ccc(CNC/C=C/C2CC2)o1 ZINC001262372614 992867128 /nfs/dbraw/zinc/86/71/28/992867128.db2.gz WMHUHMLHYZYDJR-ONEGZZNKSA-N 0 1 221.300 2.734 20 0 BFADMN NCc1nccnc1Nc1ccc(C2CC2)cc1 ZINC001262689452 993030962 /nfs/dbraw/zinc/03/09/62/993030962.db2.gz ZQFSIPUJCREXGV-UHFFFAOYSA-N 0 1 240.310 2.556 20 0 BFADMN Clc1cnccc1CNC/C=C/C1CC1 ZINC000379291316 993239986 /nfs/dbraw/zinc/23/99/86/993239986.db2.gz KCWWIIOAXPFGDM-OWOJBTEDSA-N 0 1 222.719 2.791 20 0 BFADMN COCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000380030495 993305736 /nfs/dbraw/zinc/30/57/36/993305736.db2.gz QCZQHFHQHRFFSY-UHFFFAOYSA-N 0 1 224.691 2.714 20 0 BFADMN C[C@H]1CCCN1Cc1c(F)ccc(N)c1F ZINC000381242638 993379632 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/nfs/dbraw/zinc/16/59/94/388165994.db2.gz KPMIYWHWIIGXQA-GFCCVEGCSA-N 0 1 221.348 2.525 20 0 BFADMN Cc1cccc(CN(C)[C@H]2CCCOC2)c1F ZINC000449315532 388171827 /nfs/dbraw/zinc/17/18/27/388171827.db2.gz IMOPZTNMOLTTQP-ZDUSSCGKSA-N 0 1 237.318 2.745 20 0 BFADMN COc1cc(C)ccc1CN[C@H]1CCC[C@H]1F ZINC000449343481 388176988 /nfs/dbraw/zinc/17/69/88/388176988.db2.gz KVHPMVVIMWTGNR-OLZOCXBDSA-N 0 1 237.318 2.984 20 0 BFADMN C[C@H](CN(C1CC1)C1COC1)c1ccc(F)cc1 ZINC000449350662 388178976 /nfs/dbraw/zinc/17/89/76/388178976.db2.gz KYKUXSWQHLGJLO-LLVKDONJSA-N 0 1 249.329 2.792 20 0 BFADMN CC[C@H](NC[C@H]1CCO[C@H](CC)C1)C(F)F ZINC000449362088 388182071 /nfs/dbraw/zinc/18/20/71/388182071.db2.gz MCROZJHUWGFCOJ-AXFHLTTASA-N 0 1 235.318 2.825 20 0 BFADMN C[C@H](NC[C@H]1C[C@@H]1C)c1nc(C(C)(C)C)no1 ZINC000488529876 388184853 /nfs/dbraw/zinc/18/48/53/388184853.db2.gz VPFJGHVHZRCWTN-LPEHRKFASA-N 0 1 237.347 2.674 20 0 BFADMN Cc1cc([C@@H](C)NCc2ccnn2C)ccc1F ZINC000449374045 388184984 /nfs/dbraw/zinc/18/49/84/388184984.db2.gz WCKVANKGHYXJCS-LLVKDONJSA-N 0 1 247.317 2.718 20 0 BFADMN CCCC[N@@H+](C)CCNC(=O)CCCC(C)C ZINC000448960270 388123368 /nfs/dbraw/zinc/12/33/68/388123368.db2.gz DHSILUHCDUMEPB-UHFFFAOYSA-N 0 1 242.407 2.661 20 0 BFADMN CCN(CC)Cc1ccnn1C1CCCC1 ZINC000449001468 388126881 /nfs/dbraw/zinc/12/68/81/388126881.db2.gz CTHMTFPCLJUGKE-UHFFFAOYSA-N 0 1 221.348 2.840 20 0 BFADMN COCCN(Cc1ccc(C)cc1OC)C1CC1 ZINC000449012362 388126972 /nfs/dbraw/zinc/12/69/72/388126972.db2.gz BPTWCWGASIGRHW-UHFFFAOYSA-N 0 1 249.354 2.614 20 0 BFADMN CCCN(Cc1ccncc1F)C1CC1 ZINC000449010104 388129064 /nfs/dbraw/zinc/12/90/64/388129064.db2.gz KFBDXGFGLCJIKF-UHFFFAOYSA-N 0 1 208.280 2.595 20 0 BFADMN Cc1cccc(CCN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000449016353 388129410 /nfs/dbraw/zinc/12/94/10/388129410.db2.gz VMKVLSDTOYKSAB-UONOGXRCSA-N 0 1 233.355 2.647 20 0 BFADMN c1cc2cccc(CN3C[C@H]4CC[C@@H](C3)O4)c2o1 ZINC000449032904 388132618 /nfs/dbraw/zinc/13/26/18/388132618.db2.gz BDYDFJADOSAGDY-OKILXGFUSA-N 0 1 243.306 2.796 20 0 BFADMN CN(Cc1nc(-c2ccco2)no1)C(C)(C)C ZINC000646087269 388139960 /nfs/dbraw/zinc/13/99/60/388139960.db2.gz FXLRHCKSLUSOOA-UHFFFAOYSA-N 0 1 235.287 2.560 20 0 BFADMN C[C@@H]1CC(C)(C)C[C@H]1NC(CF)CF ZINC000449377686 388186786 /nfs/dbraw/zinc/18/67/86/388186786.db2.gz BJLRCUNOSOHKLW-PSASIEDQSA-N 0 1 205.292 2.708 20 0 BFADMN CCc1nnc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000646137535 388153362 /nfs/dbraw/zinc/15/33/62/388153362.db2.gz KNULNHNVOOBOBR-LBPRGKRZSA-N 0 1 249.358 2.787 20 0 BFADMN COC[C@H](N[C@@H](C)Cc1ccoc1)c1ccco1 ZINC000449176323 388153350 /nfs/dbraw/zinc/15/33/50/388153350.db2.gz MLJNRXRXVCYNHZ-AAEUAGOBSA-N 0 1 249.310 2.781 20 0 BFADMN O=C([O-])CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138631 388153769 /nfs/dbraw/zinc/15/37/69/388153769.db2.gz OLHAQCQBJDGXAD-GFCCVEGCSA-N 0 1 225.332 2.506 20 0 BFADMN C[C@H](CCc1ccc(O)cc1)NC(CF)CF ZINC000449381521 388188822 /nfs/dbraw/zinc/18/88/22/388188822.db2.gz SLYOOBVPWYDORM-SNVBAGLBSA-N 0 1 243.297 2.611 20 0 BFADMN CC[C@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000449382730 388189455 /nfs/dbraw/zinc/18/94/55/388189455.db2.gz YFXBRCJATPIUKX-VHSXEESVSA-N 0 1 205.292 2.852 20 0 BFADMN Cc1cc(CN2CC[C@@H](F)C2)c(C)s1 ZINC000449386469 388190911 /nfs/dbraw/zinc/19/09/11/388190911.db2.gz IMMKRCBEWBWHQS-LLVKDONJSA-N 0 1 213.321 2.909 20 0 BFADMN C[C@@H](N[C@@H](C)CC1CCOCC1)C(C)(F)F ZINC000449416892 388199610 /nfs/dbraw/zinc/19/96/10/388199610.db2.gz WANVFMAVBALFSY-VHSXEESVSA-N 0 1 235.318 2.825 20 0 BFADMN COc1ccc(CN2CC[C@H]2C2CC2)cc1F ZINC000449423155 388201719 /nfs/dbraw/zinc/20/17/19/388201719.db2.gz GQVNWHOHLXMUSL-ZDUSSCGKSA-N 0 1 235.302 2.819 20 0 BFADMN CCCCC[C@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC000489304520 388207647 /nfs/dbraw/zinc/20/76/47/388207647.db2.gz ZTIYZIUCTWAFJO-LBPRGKRZSA-N 0 1 249.358 2.903 20 0 BFADMN CCCCC[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000489322152 388207727 /nfs/dbraw/zinc/20/77/27/388207727.db2.gz FYCNCWZDQYOITO-NSHDSACASA-N 0 1 235.331 2.595 20 0 BFADMN CCCCC[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000489322151 388207752 /nfs/dbraw/zinc/20/77/52/388207752.db2.gz FYCNCWZDQYOITO-LLVKDONJSA-N 0 1 235.331 2.595 20 0 BFADMN Cc1cc(CNC2(CF)CCOCC2)cs1 ZINC000449447179 388208277 /nfs/dbraw/zinc/20/82/77/388208277.db2.gz XUONODSMQVWMJL-UHFFFAOYSA-N 0 1 243.347 2.665 20 0 BFADMN COC(=O)c1ccccc1CN(C)[C@H]1CC1(C)C ZINC000489419986 388212618 /nfs/dbraw/zinc/21/26/18/388212618.db2.gz ASUOIWOOZRVGNI-ZDUSSCGKSA-N 0 1 247.338 2.704 20 0 BFADMN CCC[C@H](NCc1csnn1)C(C)(C)C ZINC000449469736 388212743 /nfs/dbraw/zinc/21/27/43/388212743.db2.gz MYEOIKOVSJKNDP-JTQLQIEISA-N 0 1 227.377 2.843 20 0 BFADMN Cc1csc(CNCc2conc2C)c1 ZINC000449472956 388213586 /nfs/dbraw/zinc/21/35/86/388213586.db2.gz BCYBPXDYWMEUQS-UHFFFAOYSA-N 0 1 222.313 2.643 20 0 BFADMN Oc1ccc2c(c1)OCCN(CC1=CCCC1)C2 ZINC000645911064 388217887 /nfs/dbraw/zinc/21/78/87/388217887.db2.gz FHFJZHBQPRLFIO-UHFFFAOYSA-N 0 1 245.322 2.697 20 0 BFADMN Cc1ccc([O-])c(C[NH2+]C23CCC(CC2)CC3)n1 ZINC000449534338 388226311 /nfs/dbraw/zinc/22/63/11/388226311.db2.gz KVZOMMHFRPLTLL-UHFFFAOYSA-N 0 1 246.354 2.908 20 0 BFADMN Cc1cnc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)n1C ZINC000449550109 388229450 /nfs/dbraw/zinc/22/94/50/388229450.db2.gz CEOUTZYMAPNQSW-HIFRSBDPSA-N 0 1 249.402 2.841 20 0 BFADMN Fc1ccc(CC2(NCc3cocn3)CC2)cc1 ZINC000449567375 388234975 /nfs/dbraw/zinc/23/49/75/388234975.db2.gz SWNUAYHZIQMSTK-UHFFFAOYSA-N 0 1 246.285 2.679 20 0 BFADMN CC(C)CCCN1CC[S@](=O)C(C)(C)CC1 ZINC000449570557 388235796 /nfs/dbraw/zinc/23/57/96/388235796.db2.gz BPRHXHCRUFANCX-INIZCTEOSA-N 0 1 245.432 2.656 20 0 BFADMN CC/C=C\CNCc1cn2cccc(F)c2n1 ZINC000648716648 388241871 /nfs/dbraw/zinc/24/18/71/388241871.db2.gz GGFKINOHHQAYOV-ARJAWSKDSA-N 0 1 233.290 2.529 20 0 BFADMN COC[C@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451862521 388301835 /nfs/dbraw/zinc/30/18/35/388301835.db2.gz VNTCNVYSAFRQAS-WCQYABFASA-N 0 1 235.327 2.842 20 0 BFADMN CCC[C@H](NCc1nc(C)no1)C(C)(C)C ZINC000451421011 388271450 /nfs/dbraw/zinc/27/14/50/388271450.db2.gz NWIHNGGQINJSBM-JTQLQIEISA-N 0 1 225.336 2.682 20 0 BFADMN CO[C@@H](C)[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000276168967 388347696 /nfs/dbraw/zinc/34/76/96/388347696.db2.gz SDMQHWIMDDLLLX-YIZRAAEISA-N 0 1 228.361 2.526 20 0 BFADMN CCS[C@H]1CCC[C@H]1NCc1nccs1 ZINC000233850475 388349090 /nfs/dbraw/zinc/34/90/90/388349090.db2.gz KJRQYGYZGNBGQT-ZJUUUORDSA-N 0 1 242.413 2.907 20 0 BFADMN CCC1(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000294808816 388404547 /nfs/dbraw/zinc/40/45/47/388404547.db2.gz NOSXMXOIGJAXSC-UHFFFAOYSA-N 0 1 241.338 2.905 20 0 BFADMN CN(CCCCO)Cc1cccc(Cl)c1F ZINC000276639194 388350896 /nfs/dbraw/zinc/35/08/96/388350896.db2.gz KOWYHJUIAYZRBM-UHFFFAOYSA-N 0 1 245.725 2.683 20 0 BFADMN F[C@@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000648721605 388354727 /nfs/dbraw/zinc/35/47/27/388354727.db2.gz GUXRJNKOVNJUMB-CYBMUJFWSA-N 0 1 230.286 2.779 20 0 BFADMN Cc1nocc1CNCc1ccc(C)cc1C ZINC000293660012 388357014 /nfs/dbraw/zinc/35/70/14/388357014.db2.gz TXMHWLBCMAIYNY-UHFFFAOYSA-N 0 1 230.311 2.890 20 0 BFADMN CCCC[C@@H](C)[C@@H](C)NCc1ncccn1 ZINC000516585289 388359130 /nfs/dbraw/zinc/35/91/30/388359130.db2.gz NIFITMALOBLQME-VXGBXAGGSA-N 0 1 221.348 2.781 20 0 BFADMN CC1(C)COC[C@@H]1NCc1cscc1Cl ZINC000648795279 388365741 /nfs/dbraw/zinc/36/57/41/388365741.db2.gz JDGFUWKMLFQGCR-JTQLQIEISA-N 0 1 245.775 2.916 20 0 BFADMN CC[N@@H+](CC/C=C/c1ccccc1)CCC(=O)[O-] ZINC000323571823 388371829 /nfs/dbraw/zinc/37/18/29/388371829.db2.gz KKJXTYJHZSGNHM-UXBLZVDNSA-N 0 1 247.338 2.887 20 0 BFADMN C[C@H](CF)NCc1cc(Cl)cs1 ZINC000288383733 388377993 /nfs/dbraw/zinc/37/79/93/388377993.db2.gz GINKBGYTJMZZAA-ZCFIWIBFSA-N 0 1 207.701 2.849 20 0 BFADMN CC1(CN2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000572936280 388391585 /nfs/dbraw/zinc/39/15/85/388391585.db2.gz QRAMKWUHETVIRE-NSHDSACASA-N 0 1 219.332 2.737 20 0 BFADMN Cc1sccc1CNCc1ccco1 ZINC000294313174 388399475 /nfs/dbraw/zinc/39/94/75/388399475.db2.gz XOLGJDLSDVWLKN-UHFFFAOYSA-N 0 1 207.298 2.939 20 0 BFADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC1CCC(C)CC1 ZINC000572976271 388401462 /nfs/dbraw/zinc/40/14/62/388401462.db2.gz NRWDKUHVVAOUCR-MOENNCHZSA-N 0 1 227.348 2.608 20 0 BFADMN CN(Cc1cccc(F)c1)CC1(F)CC1 ZINC000525977297 388439882 /nfs/dbraw/zinc/43/98/82/388439882.db2.gz AVKXCBYORJYUOK-UHFFFAOYSA-N 0 1 211.255 2.760 20 0 BFADMN CCc1nc(CNC[C@](C)(CC)OC)cs1 ZINC000322582629 388440276 /nfs/dbraw/zinc/44/02/76/388440276.db2.gz DFCZUKJDQCUAGN-LBPRGKRZSA-N 0 1 242.388 2.610 20 0 BFADMN CC[C@](C)(CN[C@@H](C)c1csc(C)n1)OC ZINC000322605698 388441118 /nfs/dbraw/zinc/44/11/18/388441118.db2.gz JKQFNHMHJPJRAU-JOYOIKCWSA-N 0 1 242.388 2.917 20 0 BFADMN CC[C@@](C)(CN[C@@H](C)c1csc(C)n1)OC ZINC000322605697 388441333 /nfs/dbraw/zinc/44/13/33/388441333.db2.gz JKQFNHMHJPJRAU-CABZTGNLSA-N 0 1 242.388 2.917 20 0 BFADMN CCN(CCc1nccs1)CC1(F)CC1 ZINC000525978268 388442247 /nfs/dbraw/zinc/44/22/47/388442247.db2.gz VKWGQXMKAHUPJZ-UHFFFAOYSA-N 0 1 228.336 2.510 20 0 BFADMN CCC(C)(C)OCCNCc1ccc(C)o1 ZINC000308551762 388442669 /nfs/dbraw/zinc/44/26/69/388442669.db2.gz YDWJRGWEVNTDPJ-UHFFFAOYSA-N 0 1 225.332 2.883 20 0 BFADMN CC[C@](C)(CN[C@H](C)c1nccs1)OC ZINC000322644751 388443003 /nfs/dbraw/zinc/44/30/03/388443003.db2.gz VGCJAYNPNBNRJJ-MWLCHTKSSA-N 0 1 228.361 2.609 20 0 BFADMN C[C@H]1C[C@@H](O)CN(Cc2sccc2Cl)C1 ZINC000334734574 388447700 /nfs/dbraw/zinc/44/77/00/388447700.db2.gz FXQDBXKMWVXWOM-DTWKUNHWSA-N 0 1 245.775 2.604 20 0 BFADMN C[C@@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528366313 388450911 /nfs/dbraw/zinc/45/09/11/388450911.db2.gz TZZXEDNSBAYUPL-SECBINFHSA-N 0 1 210.708 2.577 20 0 BFADMN Cc1ccc(CN[C@@H]2CCCC[C@H]2F)nc1 ZINC000335632799 388452508 /nfs/dbraw/zinc/45/25/08/388452508.db2.gz XQPQIBRMJUMTKS-CHWSQXEVSA-N 0 1 222.307 2.760 20 0 BFADMN C[C@H]1[C@H](C(F)(F)F)CCN1CC1(F)CC1 ZINC000525997852 388453654 /nfs/dbraw/zinc/45/36/54/388453654.db2.gz DSWSNAKPHXBXAE-JGVFFNPUSA-N 0 1 225.229 2.761 20 0 BFADMN Cc1ncc(C(=O)N2CCCC[C@H]2C2CCC2)[nH]1 ZINC000649197114 388455617 /nfs/dbraw/zinc/45/56/17/388455617.db2.gz DZDJVVJZXVUWRO-ZDUSSCGKSA-N 0 1 247.342 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BFADMN C[C@H](Cc1ccccn1)N[C@@H](C)c1cscn1 ZINC000655834783 411531475 /nfs/dbraw/zinc/53/14/75/411531475.db2.gz HMHKIKFXTNPWNP-MNOVXSKESA-N 0 1 247.367 2.820 20 0 BFADMN C[C@@H]1CSC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000307125693 411466120 /nfs/dbraw/zinc/46/61/20/411466120.db2.gz LBPCODTYNCDVAZ-HRDYMLBCSA-N 0 1 221.316 2.515 20 0 BFADMN C[C@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000659829016 411466793 /nfs/dbraw/zinc/46/67/93/411466793.db2.gz JUTMCAQFNMVZCP-JTQLQIEISA-N 0 1 220.316 2.926 20 0 BFADMN CCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000173833066 170031859 /nfs/dbraw/zinc/03/18/59/170031859.db2.gz HNXBHXLBWDPULR-JSGCOSHPSA-N 0 1 219.328 2.777 20 0 BFADMN C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccoc1 ZINC000655849334 411536036 /nfs/dbraw/zinc/53/60/36/411536036.db2.gz UINICABDGMDWDJ-NWANDNLSSA-N 0 1 248.370 2.947 20 0 BFADMN Cc1noc(C)c1[C@H](C)NCc1cccc(N)c1 ZINC000660197083 411553141 /nfs/dbraw/zinc/55/31/41/411553141.db2.gz WBFIGVBSJFHIAE-VIFPVBQESA-N 0 1 245.326 2.724 20 0 BFADMN CCN[C@@H](c1nccs1)c1ccccc1 ZINC000041060905 170164848 /nfs/dbraw/zinc/16/48/48/170164848.db2.gz YHJDFIIFIZIODU-LLVKDONJSA-N 0 1 218.325 2.842 20 0 BFADMN CC[C@@H](Cc1ccc(F)cc1)NCc1cocn1 ZINC000657548472 411546347 /nfs/dbraw/zinc/54/63/47/411546347.db2.gz YABXJDJFLIUUPL-ZDUSSCGKSA-N 0 1 248.301 2.925 20 0 BFADMN CCOC(=O)CN(CC1CCCCC1)C1CC1 ZINC000048336846 170217161 /nfs/dbraw/zinc/21/71/61/170217161.db2.gz ASOCDHWEXZNDHI-UHFFFAOYSA-N 0 1 239.359 2.594 20 0 BFADMN CCOC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353201481 170221028 /nfs/dbraw/zinc/22/10/28/170221028.db2.gz GLSOYEIQLNMBRW-TZMCWYRMSA-N 0 1 247.338 2.633 20 0 BFADMN CCOC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353201480 170221419 /nfs/dbraw/zinc/22/14/19/170221419.db2.gz GLSOYEIQLNMBRW-OCCSQVGLSA-N 0 1 247.338 2.633 20 0 BFADMN Cc1nc(CN2C[C@@H](C)CC(C)(C)C2)co1 ZINC000660247745 411559351 /nfs/dbraw/zinc/55/93/51/411559351.db2.gz KRAMVGHZYSHRKI-JTQLQIEISA-N 0 1 222.332 2.851 20 0 BFADMN CCc1nnc([C@H](C)N(C)C[C@H]2CC=CCC2)[nH]1 ZINC000660247515 411559511 /nfs/dbraw/zinc/55/95/11/411559511.db2.gz HGAMUOOMEOMBQS-RYUDHWBXSA-N 0 1 248.374 2.716 20 0 BFADMN CCOC(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@H]1C ZINC000346165684 170265541 /nfs/dbraw/zinc/26/55/41/170265541.db2.gz IPHHATGZSMEGCK-AGIUHOORSA-N 0 1 241.375 2.696 20 0 BFADMN CCOC(=O)[C@H](C)N(C)C[C@H](C)CC(C)C ZINC000337193834 170265816 /nfs/dbraw/zinc/26/58/16/170265816.db2.gz VSXZIHVPIAJQPQ-NEPJUHHUSA-N 0 1 229.364 2.552 20 0 BFADMN CCOC(=O)[C@H]1CCCCN1CCCCCF ZINC000304448646 170279574 /nfs/dbraw/zinc/27/95/74/170279574.db2.gz XBFXTAPUADCEPQ-GFCCVEGCSA-N 0 1 245.338 2.544 20 0 BFADMN Cc1nc(CN2CCC[C@@H](C(C)C)C2)co1 ZINC000660370698 411573662 /nfs/dbraw/zinc/57/36/62/411573662.db2.gz KKZKVUKNHHBUJY-GFCCVEGCSA-N 0 1 222.332 2.851 20 0 BFADMN CCOCC(C)(C)NCc1cc(F)ccc1F ZINC000293243356 170355269 /nfs/dbraw/zinc/35/52/69/170355269.db2.gz LLMHBZHYSFOBCN-UHFFFAOYSA-N 0 1 243.297 2.870 20 0 BFADMN CCOCCCNC1(C(F)F)CCCCC1 ZINC000309628622 170380572 /nfs/dbraw/zinc/38/05/72/170380572.db2.gz HEQGBHJJDCUSNE-UHFFFAOYSA-N 0 1 235.318 2.971 20 0 BFADMN CCOCCCN[C@@H](C)c1csc(CC)n1 ZINC000336778802 170382747 /nfs/dbraw/zinc/38/27/47/170382747.db2.gz MJMJDMLCTGXDLS-JTQLQIEISA-N 0 1 242.388 2.783 20 0 BFADMN CCOCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000275312298 170390476 /nfs/dbraw/zinc/39/04/76/170390476.db2.gz RMHPMIAZACYTKY-UHFFFAOYSA-N 0 1 245.725 2.947 20 0 BFADMN CC12CC(C1)C[N@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC000663316126 411623430 /nfs/dbraw/zinc/62/34/30/411623430.db2.gz SOUMBLPPYFTHDO-UHFFFAOYSA-N 0 1 249.285 2.508 20 0 BFADMN CCOCCN(CC)Cc1cccc(Cl)n1 ZINC000085696990 170396115 /nfs/dbraw/zinc/39/61/15/170396115.db2.gz HTJCBMBCXYBRPU-UHFFFAOYSA-N 0 1 242.750 2.593 20 0 BFADMN CC[C@H](CN[C@@H](C)c1csnn1)CC(F)F ZINC000660809008 411642376 /nfs/dbraw/zinc/64/23/76/411642376.db2.gz SEFXDBQBVJONAK-YUMQZZPRSA-N 0 1 249.330 2.870 20 0 BFADMN Cc1nc(CN2CC[C@H](C3CCC3)C2)co1 ZINC000660812680 411643135 /nfs/dbraw/zinc/64/31/35/411643135.db2.gz BXYRMDZBTCBBQA-LBPRGKRZSA-N 0 1 220.316 2.605 20 0 BFADMN C[C@@H]1COCCN1CC[C@H]1CCc2ccccc21 ZINC000660423053 411582641 /nfs/dbraw/zinc/58/26/41/411582641.db2.gz KNAFBLAFXQNJEO-UKRRQHHQSA-N 0 1 245.366 2.827 20 0 BFADMN C[C@@H]1C[C@H](C)N1Cc1cnc2ccccc2n1 ZINC000660449440 411586688 /nfs/dbraw/zinc/58/66/88/411586688.db2.gz XFHDETMXKSHSCP-PHIMTYICSA-N 0 1 227.311 2.613 20 0 BFADMN Cc1nc(CN2CC(C)=C[C@@H](C)C2)c(C)o1 ZINC000660460639 411589184 /nfs/dbraw/zinc/58/91/84/411589184.db2.gz WLVRNWIYVONZGL-SECBINFHSA-N 0 1 220.316 2.689 20 0 BFADMN Fc1cccc2c1CN(CC1CC=CC1)CCO2 ZINC000660483276 411592264 /nfs/dbraw/zinc/59/22/64/411592264.db2.gz DKYXBIIOTSLOTN-UHFFFAOYSA-N 0 1 247.313 2.986 20 0 BFADMN CO[C@@]1(C)C[C@H]1NCc1cccc(Cl)c1F ZINC000657788156 411595880 /nfs/dbraw/zinc/59/58/80/411595880.db2.gz HOZXXGCOYNGZGK-PWSUYJOCSA-N 0 1 243.709 2.746 20 0 BFADMN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC1CC=CC1 ZINC000660539703 411597139 /nfs/dbraw/zinc/59/71/39/411597139.db2.gz VYIKMSUBUJFUMV-MWLCHTKSSA-N 0 1 249.276 2.604 20 0 BFADMN CCc1nnc([C@H](C)N2CCC[C@H](C3CC3)C2)[nH]1 ZINC000660559436 411600606 /nfs/dbraw/zinc/60/06/06/411600606.db2.gz HQJBHHUTSRHRTH-JQWIXIFHSA-N 0 1 248.374 2.550 20 0 BFADMN CC[C@@H]1CCN1Cc1cc(C2CC2)no1 ZINC000660623060 411609300 /nfs/dbraw/zinc/60/93/00/411609300.db2.gz WSQYVSRQBSRXPI-SNVBAGLBSA-N 0 1 206.289 2.536 20 0 BFADMN C[C@H]1COCCN1CC[C@H]1CCc2ccccc21 ZINC000660647890 411612472 /nfs/dbraw/zinc/61/24/72/411612472.db2.gz KNAFBLAFXQNJEO-DZGCQCFKSA-N 0 1 245.366 2.827 20 0 BFADMN CCc1nnc([C@@H](C)N2C[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC000660725215 411619133 /nfs/dbraw/zinc/61/91/33/411619133.db2.gz ZKTSXNMSUGJTFS-UTUOFQBUSA-N 0 1 248.374 2.550 20 0 BFADMN CCCCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660762329 411622368 /nfs/dbraw/zinc/62/23/68/411622368.db2.gz VFRFSJBJTGTXOS-ZDUSSCGKSA-N 0 1 244.342 2.626 20 0 BFADMN CSc1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000661094695 411704823 /nfs/dbraw/zinc/70/48/23/411704823.db2.gz XOVSHSRSQXSYTO-UHFFFAOYSA-N 0 1 247.367 2.764 20 0 BFADMN CCCn1c(C)nnc1CN(CC)[C@H](C)CC ZINC000661108350 411712075 /nfs/dbraw/zinc/71/20/75/411712075.db2.gz SFBUYGGTEDGLLP-LLVKDONJSA-N 0 1 238.379 2.617 20 0 BFADMN CCCn1c(C)nnc1CN(CC)[C@@H](C)CC ZINC000661108351 411712676 /nfs/dbraw/zinc/71/26/76/411712676.db2.gz SFBUYGGTEDGLLP-NSHDSACASA-N 0 1 238.379 2.617 20 0 BFADMN Cc1cnc(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000660933253 411683577 /nfs/dbraw/zinc/68/35/77/411683577.db2.gz MMHHLGFMRCALHP-QWRGUYRKSA-N 0 1 222.357 2.826 20 0 BFADMN Cc1nc(CN2C[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000660934238 411683817 /nfs/dbraw/zinc/68/38/17/411683817.db2.gz NYITYOYIYZOVOF-AAEUAGOBSA-N 0 1 220.316 2.666 20 0 BFADMN CN(CCCC(C)(C)C)Cc1c[nH]cn1 ZINC000661089025 411699687 /nfs/dbraw/zinc/69/96/87/411699687.db2.gz ULOMXBJXMGOBLZ-UHFFFAOYSA-N 0 1 209.337 2.668 20 0 BFADMN CCOc1cccc(NCc2cn[nH]c2C)c1 ZINC000037780465 170582098 /nfs/dbraw/zinc/58/20/98/170582098.db2.gz FJSUENFPBTZUCB-UHFFFAOYSA-N 0 1 231.299 2.729 20 0 BFADMN CCC(C)(C)[C@H](C)NCc1nc(C(F)F)no1 ZINC000661232000 411736838 /nfs/dbraw/zinc/73/68/38/411736838.db2.gz UOQICPMKCHVCGJ-ZETCQYMHSA-N 0 1 247.289 2.922 20 0 BFADMN CCC(C)(C)[C@H](C)NCc1ncc(C)o1 ZINC000661232609 411737496 /nfs/dbraw/zinc/73/74/96/411737496.db2.gz JGDGEEDJKLFJDB-JTQLQIEISA-N 0 1 210.321 2.897 20 0 BFADMN CCC(C)(C)[C@@H](C)NCc1nc(C2CC2)no1 ZINC000661235686 411739422 /nfs/dbraw/zinc/73/94/22/411739422.db2.gz UVOLJWGEJOBCIL-SECBINFHSA-N 0 1 237.347 2.861 20 0 BFADMN CCC(C)(C)[C@H](C)NCc1nc(C2CC2)no1 ZINC000661235688 411739864 /nfs/dbraw/zinc/73/98/64/411739864.db2.gz UVOLJWGEJOBCIL-VIFPVBQESA-N 0 1 237.347 2.861 20 0 BFADMN CCOCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661511165 411793351 /nfs/dbraw/zinc/79/33/51/411793351.db2.gz FOCAFQXERWSINV-ZDUSSCGKSA-N 0 1 223.291 2.609 20 0 BFADMN CC/C=C/CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661468537 411783610 /nfs/dbraw/zinc/78/36/10/411783610.db2.gz JCKRYYZIOGUDPN-IHVVCDCBSA-N 0 1 223.360 2.986 20 0 BFADMN Cc1ccc(CN2CCO[C@](C)(C3CC3)C2)cc1 ZINC000661168919 411725566 /nfs/dbraw/zinc/72/55/66/411725566.db2.gz ZGVNCBFIVXJEGM-INIZCTEOSA-N 0 1 245.366 2.996 20 0 BFADMN Cc1cc(F)ccc1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702239 411848361 /nfs/dbraw/zinc/84/83/61/411848361.db2.gz VCECCLOTNGGNDY-HIFRSBDPSA-N 0 1 249.329 2.602 20 0 BFADMN Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1F ZINC000132268973 411891565 /nfs/dbraw/zinc/89/15/65/411891565.db2.gz UNXGKOKPTVETQW-JTQLQIEISA-N 0 1 247.273 2.609 20 0 BFADMN CC[C@@H]1CC[C@@H](C)N(Cc2nc(C3CC3)no2)C1 ZINC000661860885 411907960 /nfs/dbraw/zinc/90/79/60/411907960.db2.gz JYRXBLQSJMGTCA-GHMZBOCLSA-N 0 1 249.358 2.958 20 0 BFADMN CCc1noc(CN2C[C@H](CC)CC[C@H]2C)n1 ZINC000661863843 411909550 /nfs/dbraw/zinc/90/95/50/411909550.db2.gz QXDDWHFCIYINSJ-GHMZBOCLSA-N 0 1 237.347 2.643 20 0 BFADMN C[C@H]1COC2(CCCC2)CN1Cc1ccncc1 ZINC000661984141 411935947 /nfs/dbraw/zinc/93/59/47/411935947.db2.gz JMGIZAKUSIOFBK-ZDUSSCGKSA-N 0 1 246.354 2.615 20 0 BFADMN C1=C[C@@H]([N@@H+]2CCOC(C3CC3)(C3CC3)C2)CCC1 ZINC000661996578 411937409 /nfs/dbraw/zinc/93/74/09/411937409.db2.gz DJBDSHUXGUOTHT-OAHLLOKOSA-N 0 1 247.382 2.986 20 0 BFADMN Cc1cccc(NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000664142324 411869206 /nfs/dbraw/zinc/86/92/06/411869206.db2.gz IPYWDRUMWFBCKA-GFCCVEGCSA-N 0 1 233.359 2.675 20 0 BFADMN CC/C=C\CCN1CCOc2ccc(O)cc2C1 ZINC000662099098 411987845 /nfs/dbraw/zinc/98/78/45/411987845.db2.gz YXMVRBZIGJXDAR-ARJAWSKDSA-N 0 1 247.338 2.943 20 0 BFADMN c1cnc2c(n1)CC[N@H+](CCC1CCCCC1)C2 ZINC000662122888 411993858 /nfs/dbraw/zinc/99/38/58/411993858.db2.gz ONLDSOSKNSLYMG-UHFFFAOYSA-N 0 1 245.370 2.805 20 0 BFADMN c1cnc2c(n1)CCN(CCC1CCCCC1)C2 ZINC000662122888 411993861 /nfs/dbraw/zinc/99/38/61/411993861.db2.gz ONLDSOSKNSLYMG-UHFFFAOYSA-N 0 1 245.370 2.805 20 0 BFADMN Cc1noc(CN2CCCC[C@@H]2CC2CCC2)n1 ZINC000662155941 412010343 /nfs/dbraw/zinc/01/03/43/412010343.db2.gz IWVURXJZPBWTIS-CYBMUJFWSA-N 0 1 249.358 2.923 20 0 BFADMN Cc1noc([C@H](C)N2CCC[C@@H](C3CCC3)C2)n1 ZINC000662040233 411958755 /nfs/dbraw/zinc/95/87/55/411958755.db2.gz SMTWZWKAGVPSAW-GXFFZTMASA-N 0 1 249.358 2.951 20 0 BFADMN CC(C)OCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824804 412026593 /nfs/dbraw/zinc/02/65/93/412026593.db2.gz YXZVFIUOVWIRMW-AWEZNQCLSA-N 0 1 248.370 2.890 20 0 BFADMN C[C@@H](C[N@@H+](C)C[C@H]1CCCCC1(C)C)C(=O)[O-] ZINC000662212603 412026836 /nfs/dbraw/zinc/02/68/36/412026836.db2.gz XKLNZEFSNLKVNI-NWDGAFQWSA-N 0 1 241.375 2.855 20 0 BFADMN CCOCCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826076 412027149 /nfs/dbraw/zinc/02/71/49/412027149.db2.gz OVSWBMFGZMYJEO-AWEZNQCLSA-N 0 1 248.370 2.891 20 0 BFADMN C[C@@H](O)CCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820093 412027366 /nfs/dbraw/zinc/02/73/66/412027366.db2.gz OBOOOKVCKUXBEQ-TZMCWYRMSA-N 0 1 248.370 2.626 20 0 BFADMN CC(C)=CCC[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000662212925 412028195 /nfs/dbraw/zinc/02/81/95/412028195.db2.gz RQRDSJJCNAYTLH-VXGBXAGGSA-N 0 1 225.332 2.528 20 0 BFADMN CC[N@@H+](CCC(C)(C)CC)[C@@H](C)C(=O)[O-] ZINC000662213820 412028218 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CC(C)c1c[nH]c(CN2C[C@@H](C)[C@H](C)C2)n1 ZINC000894034546 583278096 /nfs/dbraw/zinc/27/80/96/583278096.db2.gz QKQYTYWHRPGIHD-GHMZBOCLSA-N 0 1 221.348 2.621 20 0 BFADMN Cc1n[nH]c(C[N@@H+]2CCCCC[C@@H]2C)c1C ZINC000894024668 583280700 /nfs/dbraw/zinc/28/07/00/583280700.db2.gz LVMSANCGVMUORT-JTQLQIEISA-N 0 1 221.348 2.791 20 0 BFADMN Cc1n[nH]c(C[N@@H+]2CCCCC[C@H]2C)c1C ZINC000894024669 583280738 /nfs/dbraw/zinc/28/07/38/583280738.db2.gz LVMSANCGVMUORT-SNVBAGLBSA-N 0 1 221.348 2.791 20 0 BFADMN C[C@H]1CC2(CCC2)CN1Cc1nccn1C1CC1 ZINC000894039046 583283765 /nfs/dbraw/zinc/28/37/65/583283765.db2.gz PYYTXUGAASFTGL-LBPRGKRZSA-N 0 1 245.370 2.983 20 0 BFADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000894047014 583287485 /nfs/dbraw/zinc/28/74/85/583287485.db2.gz ZJVPHOJTAORPRV-NXEZZACHSA-N 0 1 247.294 2.616 20 0 BFADMN Cc1n[nH]c(CN2C3CCCC2CCC3)c1C ZINC000894052628 583290367 /nfs/dbraw/zinc/29/03/67/583290367.db2.gz DGHNPAKKRAFHAL-UHFFFAOYSA-N 0 1 233.359 2.934 20 0 BFADMN 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583351404 /nfs/dbraw/zinc/35/14/04/583351404.db2.gz OESBSJRGQIZLTL-NSHDSACASA-N 0 1 246.310 2.540 20 0 BFADMN Cc1conc1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000878153768 583363228 /nfs/dbraw/zinc/36/32/28/583363228.db2.gz QNDAMSJTMGTCKI-ONGXEEELSA-N 0 1 208.305 2.603 20 0 BFADMN Cc1conc1CN1C[C@@H](C)CC[C@@H]1C ZINC000878153768 583363230 /nfs/dbraw/zinc/36/32/30/583363230.db2.gz QNDAMSJTMGTCKI-ONGXEEELSA-N 0 1 208.305 2.603 20 0 BFADMN Cl/C=C/C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747531626 583363710 /nfs/dbraw/zinc/36/37/10/583363710.db2.gz DDILRQCDXGCBRU-MJRJWQSSSA-N 0 1 229.751 2.632 20 0 BFADMN Cc1cnc([C@H](C)NCC[C@H](O)C(C)C)s1 ZINC000878424629 583373595 /nfs/dbraw/zinc/37/35/95/583373595.db2.gz UZASGHGGONWIFO-QWRGUYRKSA-N 0 1 242.388 2.509 20 0 BFADMN CCc1onc(C)c1CN[C@H]1CSC1(C)C ZINC000894281244 583408632 /nfs/dbraw/zinc/40/86/32/583408632.db2.gz PGWTUBGCAIIUKB-NSHDSACASA-N 0 1 240.372 2.529 20 0 BFADMN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2ncc[nH]2)C1 ZINC000894585413 583488854 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C[C@H]([C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996102 587933711 /nfs/dbraw/zinc/93/37/11/587933711.db2.gz MWKKIHYKRUCYLN-YRGRVCCFSA-N 0 1 247.338 2.728 20 0 BFADMN CCC(N)=NOC[C@H]1CCCCC1(F)F ZINC000842025594 587989788 /nfs/dbraw/zinc/98/97/88/587989788.db2.gz YMEQZFRKYOQNIF-MRVPVSSYSA-N 0 1 220.263 2.720 20 0 BFADMN CCCC(N)=NOCCc1c(F)cccc1F ZINC000842648033 588047973 /nfs/dbraw/zinc/04/79/73/588047973.db2.gz MMFVDJARFHFYOT-UHFFFAOYSA-N 0 1 242.269 2.806 20 0 BFADMN CC(C)[C@H](N)c1noc(/C=C\c2cccs2)n1 ZINC000843146887 588086588 /nfs/dbraw/zinc/08/65/88/588086588.db2.gz UKOQRXSZPDQEST-GZTOBOFZSA-N 0 1 249.339 2.957 20 0 BFADMN CCCC1(c2nc([C@H](N)C(C)C)no2)CCC1 ZINC000843149072 588087685 /nfs/dbraw/zinc/08/76/85/588087685.db2.gz ITHMDLUDEKZHEX-SNVBAGLBSA-N 0 1 237.347 2.947 20 0 BFADMN Cc1ccc([C@@H](C)c2nc([C@@H](N)C(C)C)no2)o1 ZINC000843148773 588087821 /nfs/dbraw/zinc/08/78/21/588087821.db2.gz DQGLLGBWXVQAHT-KOLCDFICSA-N 0 1 249.314 2.779 20 0 BFADMN 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589976451 /nfs/dbraw/zinc/97/64/51/589976451.db2.gz QEIUKSBUXLSNJX-GFCCVEGCSA-N 0 1 227.348 2.609 20 0 BFADMN CCOc1cccc(F)c1CN1CCCC1 ZINC000873008736 589978815 /nfs/dbraw/zinc/97/88/15/589978815.db2.gz CEXVLEJQFYWMJX-UHFFFAOYSA-N 0 1 223.291 2.820 20 0 BFADMN COC[C@@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000019904978 590040793 /nfs/dbraw/zinc/04/07/93/590040793.db2.gz VOZIYWJVBBHZJU-IUODEOHRSA-N 0 1 245.322 2.994 20 0 BFADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000873646429 590066229 /nfs/dbraw/zinc/06/62/29/590066229.db2.gz FPBSFYBLLHHPIN-XQQFMLRXSA-N 0 1 239.359 2.752 20 0 BFADMN CCCCOC(=O)CN1[C@H](C)CC[C@@H]1CC ZINC000124640545 590068298 /nfs/dbraw/zinc/06/82/98/590068298.db2.gz AKPWTSSXBIRQSN-NEPJUHHUSA-N 0 1 227.348 2.593 20 0 BFADMN CCCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000874693069 590123990 /nfs/dbraw/zinc/12/39/90/590123990.db2.gz ONYLWDKPGHJNRM-UHFFFAOYSA-N 0 1 237.690 2.955 20 0 BFADMN O=C(NOc1ccccc1F)[C@H]1CCCC12CC2 ZINC000874909529 590153898 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AENPXPHWZNCJPQ-CYBMUJFWSA-N 0 1 239.746 2.605 20 0 BFADMN CC(C)OCCCNCc1nc(Cl)cs1 ZINC000876893484 590255216 /nfs/dbraw/zinc/25/52/16/590255216.db2.gz PEPNAUNQPPMSSX-UHFFFAOYSA-N 0 1 248.779 2.701 20 0 BFADMN Clc1csc(CNC[C@H]2CCCS2)n1 ZINC000877084596 590280228 /nfs/dbraw/zinc/28/02/28/590280228.db2.gz NJQYQDZFEGFMAT-SSDOTTSWSA-N 0 1 248.804 2.782 20 0 BFADMN Clc1csc(CNC[C@@H]2CCCS2)n1 ZINC000877084599 590280506 /nfs/dbraw/zinc/28/05/06/590280506.db2.gz NJQYQDZFEGFMAT-ZETCQYMHSA-N 0 1 248.804 2.782 20 0 BFADMN CS[C@H](C)CNCc1nc(Cl)cs1 ZINC000877111363 590287300 /nfs/dbraw/zinc/28/73/00/590287300.db2.gz HUSQDXLFCQECFN-ZCFIWIBFSA-N 0 1 236.793 2.638 20 0 BFADMN Fc1ncccc1CNC[C@H]1CC1(Cl)Cl ZINC000877491780 590339946 /nfs/dbraw/zinc/33/99/46/590339946.db2.gz XLACUWIPFYBTNC-MRVPVSSYSA-N 0 1 249.116 2.504 20 0 BFADMN CCO[P@](C)(=O)CC[C@@H](C)NCC(F)F ZINC000877519364 590340071 /nfs/dbraw/zinc/34/00/71/590340071.db2.gz XXRKEKPQLVURQS-GLEZIHRCSA-N 0 1 243.234 2.564 20 0 BFADMN c1cc(CN2CC[C@H](c3ccccn3)C2)sn1 ZINC000877501306 590341089 /nfs/dbraw/zinc/34/10/89/590341089.db2.gz NYUPUHPXTSYVEK-NSHDSACASA-N 0 1 245.351 2.528 20 0 BFADMN C[C@@H]1CC[C@@H]1NCc1nc(Cl)cs1 ZINC000877522460 590347139 /nfs/dbraw/zinc/34/71/39/590347139.db2.gz FLWXQMJQNIJVDK-RQJHMYQMSA-N 0 1 216.737 2.685 20 0 BFADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCC(=O)[O-] ZINC000126578860 590352779 /nfs/dbraw/zinc/35/27/79/590352779.db2.gz XEEDUTQTISSBNB-RYUDHWBXSA-N 0 1 227.348 2.752 20 0 BFADMN C[C@@H](CF)NCc1cc2c(ccnc2Cl)o1 ZINC000877548896 590354605 /nfs/dbraw/zinc/35/46/05/590354605.db2.gz WEQNJBDXQFTTCX-ZETCQYMHSA-N 0 1 242.681 2.929 20 0 BFADMN CC[C@H](NC(CF)CF)[C@@H]1CC1(C)C ZINC000877558623 590359204 /nfs/dbraw/zinc/35/92/04/590359204.db2.gz BUINGPKTKJPYHC-UWVGGRQHSA-N 0 1 205.292 2.708 20 0 BFADMN Clc1csc(CNCCc2ccoc2)n1 ZINC000877630048 590378142 /nfs/dbraw/zinc/37/81/42/590378142.db2.gz DVDPCLZHICYPPJ-UHFFFAOYSA-N 0 1 242.731 2.722 20 0 BFADMN CCc1cccc(F)c1CNC1CSC1 ZINC000877635005 590380238 /nfs/dbraw/zinc/38/02/38/590380238.db2.gz YJIIXDPNNVMCOX-UHFFFAOYSA-N 0 1 225.332 2.593 20 0 BFADMN F[C@@H]1CCCC[C@@H]1NCc1ccns1 ZINC000877682350 590390893 /nfs/dbraw/zinc/39/08/93/590390893.db2.gz KQDURYZSQJJAGM-ZJUUUORDSA-N 0 1 214.309 2.513 20 0 BFADMN Clc1ccc(CN2C[C@@H]3CC=CC[C@@H]3C2)nn1 ZINC000877718115 590400162 /nfs/dbraw/zinc/40/01/62/590400162.db2.gz FGBUMEADAIWKBJ-PHIMTYICSA-N 0 1 249.745 2.528 20 0 BFADMN CC(C)(C)OC1CN(C[C@]2(C)CCCS2)C1 ZINC000877769413 590418702 /nfs/dbraw/zinc/41/87/02/590418702.db2.gz BCOBDRULAHLRFI-ZDUSSCGKSA-N 0 1 243.416 2.771 20 0 BFADMN Cc1n[nH]cc1CN1CC([C@@H]2CCC[C@H](C)C2)C1 ZINC000877763523 590419431 /nfs/dbraw/zinc/41/94/31/590419431.db2.gz AXLWQIQPMOQTTP-WCQYABFASA-N 0 1 247.386 2.976 20 0 BFADMN C[C@@H]1CCC[C@@H](C2CN(Cc3cncn3C)C2)C1 ZINC000877763926 590420603 /nfs/dbraw/zinc/42/06/03/590420603.db2.gz NTILNXLZSUYIBX-CHWSQXEVSA-N 0 1 247.386 2.678 20 0 BFADMN C[C@@H](NC1(C)CC(F)(F)C1)c1ccccn1 ZINC000877833269 590429975 /nfs/dbraw/zinc/42/99/75/590429975.db2.gz DZKOBCDLXOLYAA-SECBINFHSA-N 0 1 226.270 2.920 20 0 BFADMN CN(Cc1ccco1)C[C@@H]1CCC2(CCC2)O1 ZINC000877906151 590444409 /nfs/dbraw/zinc/44/44/09/590444409.db2.gz JKQGXIGCAFBGLE-ZDUSSCGKSA-N 0 1 235.327 2.813 20 0 BFADMN Cc1conc1CN(C)C1CCC(C)CC1 ZINC000877919709 590447660 /nfs/dbraw/zinc/44/76/60/590447660.db2.gz VBRIMJZTKWRDRP-UHFFFAOYSA-N 0 1 222.332 2.994 20 0 BFADMN C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)[C@@H](C)CO1 ZINC000877920213 590447694 /nfs/dbraw/zinc/44/76/94/590447694.db2.gz HKMXESANFHPNIW-TUAOUCFPSA-N 0 1 247.329 2.921 20 0 BFADMN C[C@@H]1CN(CC[C@H]2CCCC2(F)F)[C@H](C)CO1 ZINC000877920211 590447929 /nfs/dbraw/zinc/44/79/29/590447929.db2.gz HKMXESANFHPNIW-IJLUTSLNSA-N 0 1 247.329 2.921 20 0 BFADMN C[C@@H](C1CC1)N(C)Cc1nc2c(o1)CCCC2 ZINC000877929796 590449910 /nfs/dbraw/zinc/44/99/10/590449910.db2.gz NIZVGUMZKHIMDF-JTQLQIEISA-N 0 1 234.343 2.784 20 0 BFADMN CC[C@H]1CN(CC[C@H]2CCCC2(F)F)CCO1 ZINC000877956870 590457051 /nfs/dbraw/zinc/45/70/51/590457051.db2.gz BOXDQQKBIFFECL-NEPJUHHUSA-N 0 1 247.329 2.923 20 0 BFADMN Cc1conc1CN(CCC(C)C)C1CC1 ZINC000877966280 590460191 /nfs/dbraw/zinc/46/01/91/590460191.db2.gz GDLXZMLSLJNYCW-UHFFFAOYSA-N 0 1 222.332 2.994 20 0 BFADMN CN(Cc1ccoc1)C[C@@H]1CCC2(CCC2)O1 ZINC000877988227 590466517 /nfs/dbraw/zinc/46/65/17/590466517.db2.gz CYPAWZXWYXFFLE-ZDUSSCGKSA-N 0 1 235.327 2.813 20 0 BFADMN C=C/C=C\CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000877994429 590467214 /nfs/dbraw/zinc/46/72/14/590467214.db2.gz FYPBLIUQONHOLX-DGMVEKRQSA-N 0 1 209.333 2.618 20 0 BFADMN CC1(C)COCCN1CC[C@H]1CCCC1(F)F ZINC000877996954 590469202 /nfs/dbraw/zinc/46/92/02/590469202.db2.gz YRLXHZKSTBTREL-LLVKDONJSA-N 0 1 247.329 2.923 20 0 BFADMN FC1(F)CCC[C@H]1CC[N@H+]1CCCOCC1 ZINC000878014896 590471604 /nfs/dbraw/zinc/47/16/04/590471604.db2.gz SALCXZZZLFLGBL-NSHDSACASA-N 0 1 233.302 2.534 20 0 BFADMN Cc1conc1C[N@@H+](C)CC1CCCC1 ZINC000878013800 590472282 /nfs/dbraw/zinc/47/22/82/590472282.db2.gz DVBBWFCFEJYWEQ-UHFFFAOYSA-N 0 1 208.305 2.605 20 0 BFADMN Cc1conc1CN(C)CC1CCCC1 ZINC000878013800 590472285 /nfs/dbraw/zinc/47/22/85/590472285.db2.gz DVBBWFCFEJYWEQ-UHFFFAOYSA-N 0 1 208.305 2.605 20 0 BFADMN Cc1ccc(CN2CC[C@@H](C)C2)nc1Cl ZINC000878031129 590475204 /nfs/dbraw/zinc/47/52/04/590475204.db2.gz QSFKYLXTKLDFNN-SECBINFHSA-N 0 1 224.735 2.885 20 0 BFADMN Cc1conc1CN(C1CC1)C1CCCC1 ZINC000878085120 590489675 /nfs/dbraw/zinc/48/96/75/590489675.db2.gz GJKBBXUDHFMQDT-UHFFFAOYSA-N 0 1 220.316 2.890 20 0 BFADMN Cc1conc1CN1[C@H](C)CCC[C@@H]1C ZINC000878087855 590490536 /nfs/dbraw/zinc/49/05/36/590490536.db2.gz ACZYNCFRWJQJDG-PHIMTYICSA-N 0 1 208.305 2.746 20 0 BFADMN CC[C@H]1CCCN(Cc2nocc2C)CC1 ZINC000878114560 590497939 /nfs/dbraw/zinc/49/79/39/590497939.db2.gz YGALEWHFGBTLCI-LBPRGKRZSA-N 0 1 222.332 2.995 20 0 BFADMN C[C@H]1CN(Cc2nc3c(o2)CCCC3)C[C@@H]1C ZINC000878151273 590507343 /nfs/dbraw/zinc/50/73/43/590507343.db2.gz WWMZXAUYQLOFRJ-QWRGUYRKSA-N 0 1 234.343 2.641 20 0 BFADMN Cc1conc1CN(C)[C@@H](C)C1(C)CC1 ZINC000878180117 590517542 /nfs/dbraw/zinc/51/75/42/590517542.db2.gz XRCMRRUMWFPZEF-JTQLQIEISA-N 0 1 208.305 2.603 20 0 BFADMN CCC[C@H]1CCCN(Cc2nocc2C)C1 ZINC000878186204 590519973 /nfs/dbraw/zinc/51/99/73/590519973.db2.gz HBHXLZHHRSDSCS-LBPRGKRZSA-N 0 1 222.332 2.995 20 0 BFADMN CC[C@]1(C)CCN(Cc2nocc2C)C1 ZINC000878187839 590520147 /nfs/dbraw/zinc/52/01/47/590520147.db2.gz IHJYKUHMBXWVQJ-GFCCVEGCSA-N 0 1 208.305 2.605 20 0 BFADMN CN(Cc1cccnc1)C[C@@H]1CCCC(C)(C)O1 ZINC000878297870 590536416 /nfs/dbraw/zinc/53/64/16/590536416.db2.gz BEAAWIQXSNLYEP-AWEZNQCLSA-N 0 1 248.370 2.861 20 0 BFADMN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1cn[nH]c1C ZINC000878360211 590554097 /nfs/dbraw/zinc/55/40/97/590554097.db2.gz ZDBYYWHQOLXFSR-OCCSQVGLSA-N 0 1 249.358 2.551 20 0 BFADMN COC(=O)c1cc(CN2CC=CCC2)ccc1C ZINC000878384452 590558211 /nfs/dbraw/zinc/55/82/11/590558211.db2.gz MRAXGPSKWJYQIE-UHFFFAOYSA-N 0 1 245.322 2.544 20 0 BFADMN Cc1conc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000878403433 590560683 /nfs/dbraw/zinc/56/06/83/590560683.db2.gz BFWOAEJIWRFHKB-JTQLQIEISA-N 0 1 222.332 2.851 20 0 BFADMN C(NC1(C2CC2)CC1)c1nc2c(o1)CCCC2 ZINC000878410095 590562301 /nfs/dbraw/zinc/56/23/01/590562301.db2.gz VFCYDMUPFGVZMN-UHFFFAOYSA-N 0 1 232.327 2.586 20 0 BFADMN Cc1conc1CN1CC[C@H](C)C(C)(C)C1 ZINC000878433012 590566465 /nfs/dbraw/zinc/56/64/65/590566465.db2.gz PLZHEDICZXKKOO-NSHDSACASA-N 0 1 222.332 2.851 20 0 BFADMN C=C/C=C\CCN(C)Cc1conc1CC ZINC000878652457 590602048 /nfs/dbraw/zinc/60/20/48/590602048.db2.gz PXWPYDPPFQCBFV-SREVYHEPSA-N 0 1 220.316 2.801 20 0 BFADMN C[C@]1(F)CCCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878657716 590604121 /nfs/dbraw/zinc/60/41/21/590604121.db2.gz IMUHNMZDMSXSQK-XUXIUFHCSA-N 0 1 241.350 2.768 20 0 BFADMN F[C@@H]1CCN(C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878663564 590605288 /nfs/dbraw/zinc/60/52/88/590605288.db2.gz LRFAUUNPYOJWNR-RBSFLKMASA-N 0 1 249.329 2.951 20 0 BFADMN F[C@@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000878662719 590605294 /nfs/dbraw/zinc/60/52/94/590605294.db2.gz CULMVZFBTYBHSB-VHSXEESVSA-N 0 1 221.266 2.856 20 0 BFADMN CN(Cc1ccccn1)C[C@@H]1CCCC(C)(C)O1 ZINC000878667781 590607050 /nfs/dbraw/zinc/60/70/50/590607050.db2.gz AQWDLLNHPKLXCL-AWEZNQCLSA-N 0 1 248.370 2.861 20 0 BFADMN CC1(C)CC[C@H]1NCC(=O)c1ccccc1F ZINC000878672638 590607309 /nfs/dbraw/zinc/60/73/09/590607309.db2.gz IHZOPZPXYQEIRL-CYBMUJFWSA-N 0 1 235.302 2.787 20 0 BFADMN CN(Cc1nc2c(o1)CCCC2)C(C)(C)C ZINC000878769351 590620660 /nfs/dbraw/zinc/62/06/60/590620660.db2.gz OKBHEMNPMPKVFW-UHFFFAOYSA-N 0 1 222.332 2.784 20 0 BFADMN COCCSCCCN1CCC=C(Cl)C1 ZINC000878791145 590623269 /nfs/dbraw/zinc/62/32/69/590623269.db2.gz HCHWPUBYJSGHKW-UHFFFAOYSA-N 0 1 249.807 2.585 20 0 BFADMN CCOC(=O)CCCCN1CCC=C(Cl)C1 ZINC000878794171 590624594 /nfs/dbraw/zinc/62/45/94/590624594.db2.gz UMMWEHFUZLONBY-UHFFFAOYSA-N 0 1 245.750 2.548 20 0 BFADMN CC[C@H]1CCC[C@]1(C)C(=O)NCc1cc(C)[nH]n1 ZINC000878842432 590631612 /nfs/dbraw/zinc/63/16/12/590631612.db2.gz QWHNPRAHCQWPMS-FZMZJTMJSA-N 0 1 249.358 2.551 20 0 BFADMN C[C@]1(C(F)(F)F)CN(CC2CC=CC2)CCO1 ZINC000879500946 590783584 /nfs/dbraw/zinc/78/35/84/590783584.db2.gz DQTRGKVRWXJKBB-LLVKDONJSA-N 0 1 249.276 2.606 20 0 BFADMN C[C@H](NCc1ccc(CF)cc1)c1ccnn1C ZINC000879685133 590848811 /nfs/dbraw/zinc/84/88/11/590848811.db2.gz DWPFAQRXSVBNLI-NSHDSACASA-N 0 1 247.317 2.740 20 0 BFADMN COc1ccc([C@H]2COCCN2CC(C)C)cc1 ZINC000879737699 590858423 /nfs/dbraw/zinc/85/84/23/590858423.db2.gz LGBXAEUCHYXUMG-OAHLLOKOSA-N 0 1 249.354 2.725 20 0 BFADMN FC(F)(F)[C@@H]1CCN([C@@H]2C=CCCC2)CCO1 ZINC000880047468 590915015 /nfs/dbraw/zinc/91/50/15/590915015.db2.gz RMHKOOMKTWSDCW-MNOVXSKESA-N 0 1 249.276 2.748 20 0 BFADMN Cc1nc(CN2CCC[C@H](CF)C2)sc1C ZINC000880234425 590964523 /nfs/dbraw/zinc/96/45/23/590964523.db2.gz RYRCQNICCJRWNX-LLVKDONJSA-N 0 1 242.363 2.941 20 0 BFADMN Cc1csc(CN2CCC[C@H](CF)C2)n1 ZINC000880233522 590964909 /nfs/dbraw/zinc/96/49/09/590964909.db2.gz LHQLXMOQLFWGCW-SNVBAGLBSA-N 0 1 228.336 2.633 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/nfs/dbraw/zinc/29/46/94/974294694.db2.gz QPMUTBWXSDUSNU-UHFFFAOYSA-N 0 1 219.328 2.857 20 0 BFADMN Cc1ccc(OC2CN(C(C)(C)C)C2)cc1 ZINC001225257119 974318476 /nfs/dbraw/zinc/31/84/76/974318476.db2.gz HXBFXDNBEWXVBT-UHFFFAOYSA-N 0 1 219.328 2.857 20 0 BFADMN C[C@H](Oc1cccnc1C[NH+](C)C)C1=CC=C[CH]1 ZINC001225276908 974341950 /nfs/dbraw/zinc/34/19/50/974341950.db2.gz CEBGVNBMZMBICQ-LBPRGKRZSA-N 0 1 243.330 2.611 20 0 BFADMN CC(C)(C)c1ccccc1NCc1nnc[nH]1 ZINC001330609487 974359305 /nfs/dbraw/zinc/35/93/05/974359305.db2.gz VLCCOBKOEIWZHX-UHFFFAOYSA-N 0 1 230.315 2.714 20 0 BFADMN FC1(F)CCCCN(C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172240378 974504289 /nfs/dbraw/zinc/50/42/89/974504289.db2.gz NACVPIIFPYLRDO-YOGCLGLASA-N 0 1 243.297 2.594 20 0 BFADMN CC[C@H](C)OCC[C@H](C)NCC(C)(F)F ZINC001172316372 974524823 /nfs/dbraw/zinc/52/48/23/974524823.db2.gz NMJCFUKRYBRIQY-UWVGGRQHSA-N 0 1 223.307 2.825 20 0 BFADMN C[C@@H]1CC[C@H](N2CCc3c(ncn3C)C2)C[C@@H]1C ZINC001172374739 974574283 /nfs/dbraw/zinc/57/42/83/974574283.db2.gz ARWRTJHPMYTDLC-AGIUHOORSA-N 0 1 247.386 2.603 20 0 BFADMN Cc1ncc2n1CCN([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172377455 974580985 /nfs/dbraw/zinc/58/09/85/974580985.db2.gz XTDUOPWGVYZZBP-SGMGOOAPSA-N 0 1 247.386 2.832 20 0 BFADMN C[C@@H]1CC[C@H](N(C)Cc2ncccn2)C[C@H]1C ZINC001172365491 974643099 /nfs/dbraw/zinc/64/30/99/974643099.db2.gz KRFAYCISCGYYOQ-UPJWGTAASA-N 0 1 233.359 2.733 20 0 BFADMN C[C@@H]1CC[C@H](N(C)Cc2ncccn2)C[C@@H]1C ZINC001172365488 974643298 /nfs/dbraw/zinc/64/32/98/974643298.db2.gz KRFAYCISCGYYOQ-AGIUHOORSA-N 0 1 233.359 2.733 20 0 BFADMN C[C@@H]1CC[C@H](N2C[C@@H](F)[C@H](F)C2)C[C@H]1C ZINC001172366007 974643333 /nfs/dbraw/zinc/64/33/33/974643333.db2.gz MNYAPMFAASTXPN-RMPHRYRLSA-N 0 1 217.303 2.803 20 0 BFADMN Cc1noc(C2(N[C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)n1 ZINC001172371327 974650595 /nfs/dbraw/zinc/65/05/95/974650595.db2.gz TVXIIAAIFZDKKR-JBLDHEPKSA-N 0 1 249.358 2.781 20 0 BFADMN CC[C@H](CC(C)C)n1c(CN)nc2cnccc21 ZINC001172402744 974653507 /nfs/dbraw/zinc/65/35/07/974653507.db2.gz XDNYUXMWDQZHEH-LLVKDONJSA-N 0 1 246.358 2.887 20 0 BFADMN CN1CC[C@@H](Oc2ccc(Cl)cc2F)C1 ZINC001225713129 974654186 /nfs/dbraw/zinc/65/41/86/974654186.db2.gz NPCAFFOSBIEKPP-SECBINFHSA-N 0 1 229.682 2.562 20 0 BFADMN CC/C=C(\C)[C@H](CC)Oc1[nH]c(=O)ncc1F ZINC001225883463 974714210 /nfs/dbraw/zinc/71/42/10/974714210.db2.gz BBNSJTRFWXETAD-PCGIRMHASA-N 0 1 240.278 2.835 20 0 BFADMN CCOCC[C@H](C)N1CCn2cccc2[C@H]1C ZINC001172433444 974719718 /nfs/dbraw/zinc/71/97/18/974719718.db2.gz PSXHDRCNFUECAC-QWHCGFSZSA-N 0 1 236.359 2.680 20 0 BFADMN CC[C@@H](CC(C)C)Nc1cccnc1CN ZINC001172392208 974743168 /nfs/dbraw/zinc/74/31/68/974743168.db2.gz MNYUGAHZAIMOLT-NSHDSACASA-N 0 1 221.348 2.777 20 0 BFADMN C[C@H]1CCCC[C@@H]1Oc1cccc2[nH]nnc21 ZINC001225990533 974751758 /nfs/dbraw/zinc/75/17/58/974751758.db2.gz BPSRSLTXUIXXNM-ONGXEEELSA-N 0 1 231.299 2.915 20 0 BFADMN C[C@H]1CCCC[C@H]1Oc1cccc2[nH]nnc21 ZINC001225990530 974752319 /nfs/dbraw/zinc/75/23/19/974752319.db2.gz BPSRSLTXUIXXNM-GXSJLCMTSA-N 0 1 231.299 2.915 20 0 BFADMN c1cc2[nH]nnc2c(OC2CCCCC2)c1 ZINC001225990896 974753767 /nfs/dbraw/zinc/75/37/67/974753767.db2.gz MHISVGWSMKRSSU-UHFFFAOYSA-N 0 1 217.272 2.669 20 0 BFADMN CC[C@@H](CC(C)C)N1CCn2cncc2C1 ZINC001172401342 974760503 /nfs/dbraw/zinc/76/05/03/974760503.db2.gz HZLOVJKSTWOUDR-LBPRGKRZSA-N 0 1 221.348 2.523 20 0 BFADMN CC(C)[N@H+]1CC[C@@H](Oc2cccc([S-])c2)C1 ZINC001226016875 974764269 /nfs/dbraw/zinc/76/42/69/974764269.db2.gz WASCDTHGWCVDCX-GFCCVEGCSA-N 0 1 237.368 2.837 20 0 BFADMN CC(C)COCC[C@@H](C)N1CC(OC(C)C)C1 ZINC001172485276 974789725 /nfs/dbraw/zinc/78/97/25/974789725.db2.gz VPXQUJOGITUSEQ-CYBMUJFWSA-N 0 1 243.391 2.547 20 0 BFADMN CCCC(CCC)Oc1nc(C)cc(=O)[nH]1 ZINC001226155487 974810775 /nfs/dbraw/zinc/81/07/75/974810775.db2.gz FBDCONNBEKKSSF-UHFFFAOYSA-N 0 1 224.304 2.838 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H]2CCc3ccccc32)n1 ZINC001226155942 974811896 /nfs/dbraw/zinc/81/18/96/974811896.db2.gz IKPKPIJBMUBXAI-GFCCVEGCSA-N 0 1 242.278 2.557 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@H](C)Cc2ccccc2)n1 ZINC001226157493 974814094 /nfs/dbraw/zinc/81/40/94/974814094.db2.gz ZZOPVAUMAGMDIG-LLVKDONJSA-N 0 1 244.294 2.501 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cccc(F)c2)n1 ZINC001226157323 974814766 /nfs/dbraw/zinc/81/47/66/974814766.db2.gz XCFPYUKKQMIKCO-VIFPVBQESA-N 0 1 248.257 2.770 20 0 BFADMN CC(C)N1CC[C@@H](Oc2cnccc2Cl)C1 ZINC001226293117 974846358 /nfs/dbraw/zinc/84/63/58/974846358.db2.gz DISCKURLSVDACI-SNVBAGLBSA-N 0 1 240.734 2.597 20 0 BFADMN C[C@@H]1CC[C@H](Oc2n[nH]c3ncccc23)C1 ZINC001226303042 974850489 /nfs/dbraw/zinc/85/04/89/974850489.db2.gz QSNFPZAQBANLIT-BDAKNGLRSA-N 0 1 217.272 2.525 20 0 BFADMN C[C@@H]1CCC[C@@H](Oc2n[nH]c3ncccc23)C1 ZINC001226304011 974852765 /nfs/dbraw/zinc/85/27/65/974852765.db2.gz ZCVUOWYUPHFFDB-NXEZZACHSA-N 0 1 231.299 2.915 20 0 BFADMN CCCCCC[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226324557 974855556 /nfs/dbraw/zinc/85/55/56/974855556.db2.gz PSCUUEBEGDYWAN-JTQLQIEISA-N 0 1 224.304 2.920 20 0 BFADMN O=c1ccnc(O[C@H]2CCCc3ccccc32)[nH]1 ZINC001226323447 974855749 /nfs/dbraw/zinc/85/57/49/974855749.db2.gz DTLCQRFDILUXCV-LBPRGKRZSA-N 0 1 242.278 2.639 20 0 BFADMN O=c1ccnc(O[C@@H](c2ccccc2)C2CC2)[nH]1 ZINC001226324350 974856837 /nfs/dbraw/zinc/85/68/37/974856837.db2.gz MPXVNMLLTBGHDI-ZDUSSCGKSA-N 0 1 242.278 2.712 20 0 BFADMN c1ccc([C@@H]2CC[C@H](N3CCO[C@@H]4C[C@@H]43)C2)cc1 ZINC001172570298 974873350 /nfs/dbraw/zinc/87/33/50/974873350.db2.gz VUYSJOFESXVBRQ-FXUDXRNXSA-N 0 1 243.350 2.796 20 0 BFADMN Cc1cn[nH]c1CSCc1ccc(C)cn1 ZINC001331951943 974880072 /nfs/dbraw/zinc/88/00/72/974880072.db2.gz JNZHJIJGTRBKEG-UHFFFAOYSA-N 0 1 233.340 2.855 20 0 BFADMN CC[C@H](COC)Oc1cc(N)nc2ccccc21 ZINC001226415871 974889755 /nfs/dbraw/zinc/88/97/55/974889755.db2.gz AJAWIILBHCNKTN-SNVBAGLBSA-N 0 1 246.310 2.621 20 0 BFADMN Cc1ncn(-c2ccc(C(C)(F)F)cc2)c1N ZINC001212675267 974897494 /nfs/dbraw/zinc/89/74/94/974897494.db2.gz OEGPLZMODPITQQ-UHFFFAOYSA-N 0 1 237.253 2.875 20 0 BFADMN Cc1nc(C)n(C[C@@H](O)c2ccc(F)cc2)c1C ZINC001332040100 974929606 /nfs/dbraw/zinc/92/96/06/974929606.db2.gz UKZRYWOHMXSGKP-CQSZACIVSA-N 0 1 248.301 2.681 20 0 BFADMN Cc1nc(C)n(C[C@@H](O)CCC(C)C)c1C ZINC001332038641 974930020 /nfs/dbraw/zinc/93/00/20/974930020.db2.gz LFQBMXXVWRTQDB-ZDUSSCGKSA-N 0 1 224.348 2.605 20 0 BFADMN Cc1ccc2nc(OC[C@H]3CCCCO3)[nH]c2c1 ZINC001226508629 974930313 /nfs/dbraw/zinc/93/03/13/974930313.db2.gz LUHHCNKXBNANMH-LLVKDONJSA-N 0 1 246.310 2.819 20 0 BFADMN Cc1ccc2nc(O[C@@H]3CCO[C@@H](C)C3)[nH]c2c1 ZINC001226507661 974931741 /nfs/dbraw/zinc/93/17/41/974931741.db2.gz CBKNJHROHCXVPS-WDEREUQCSA-N 0 1 246.310 2.818 20 0 BFADMN CC(C)OC(=O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001332141913 974973107 /nfs/dbraw/zinc/97/31/07/974973107.db2.gz MZUXHXGXTABWRQ-ZDUSSCGKSA-N 0 1 239.359 2.593 20 0 BFADMN CCCOC1CCC(NCC(C)(F)F)CC1 ZINC001173087554 975021196 /nfs/dbraw/zinc/02/11/96/975021196.db2.gz OYPVVQYNNDKXLQ-UHFFFAOYSA-N 0 1 235.318 2.969 20 0 BFADMN CC[C@H](COc1nc2ccc(F)cc2[nH]1)OC ZINC001226703545 975036919 /nfs/dbraw/zinc/03/69/19/975036919.db2.gz DEBMBSPFCSXNPV-SECBINFHSA-N 0 1 238.262 2.506 20 0 BFADMN CCCC[C@@H](CC(C)C)n1c(C)nnc1CN ZINC001173258471 975103228 /nfs/dbraw/zinc/10/32/28/975103228.db2.gz VDMYHINBZLEXRB-LBPRGKRZSA-N 0 1 238.379 2.823 20 0 BFADMN CCc1coc(CN[C@@H]2CC[C@@H](CC)C2)n1 ZINC001173260863 975107205 /nfs/dbraw/zinc/10/72/05/975107205.db2.gz OOXHIAVTIPBUOO-ZYHUDNBSSA-N 0 1 222.332 2.905 20 0 BFADMN CC[C@@H]1CC[C@H](N[C@H]2NC(=O)c3ccccc32)C1 ZINC001173269519 975140840 /nfs/dbraw/zinc/14/08/40/975140840.db2.gz WJOZMIGGNBVBIB-SUNKGSAMSA-N 0 1 244.338 2.597 20 0 BFADMN CCCOC[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226928070 975157644 /nfs/dbraw/zinc/15/76/44/975157644.db2.gz DTFUNWIXUNFKPE-SNVBAGLBSA-N 0 1 234.299 2.757 20 0 BFADMN CC[C@H]1CC[C@H](N2CCn3c(C)ncc3C2)C1 ZINC001173279144 975234660 /nfs/dbraw/zinc/23/46/60/975234660.db2.gz GYTGNEHLGQWHKJ-STQMWFEESA-N 0 1 233.359 2.586 20 0 BFADMN CCSC[C@H](C)NCc1ncc(F)cc1F ZINC001173288987 975254050 /nfs/dbraw/zinc/25/40/50/975254050.db2.gz ABVUAUUENXBRFK-QMMMGPOBSA-N 0 1 246.326 2.591 20 0 BFADMN CCSC[C@H](C)NCC(=O)c1ccccc1 ZINC001173290767 975263577 /nfs/dbraw/zinc/26/35/77/975263577.db2.gz GDGDQJFZGZCUGX-NSHDSACASA-N 0 1 237.368 2.601 20 0 BFADMN Cc1[nH]c(=O)nc(O[C@H](C)C(C)C)c1Cl ZINC001227111226 975281792 /nfs/dbraw/zinc/28/17/92/975281792.db2.gz JJOMFLMTCIRRJF-SSDOTTSWSA-N 0 1 230.695 2.567 20 0 BFADMN Cc1[nH]c(=O)nc(O[C@@H]2CC[C@@H](C)C2)c1Cl ZINC001227111536 975281050 /nfs/dbraw/zinc/28/10/50/975281050.db2.gz NFGIZAZXNIVWCS-HTRCEHHLSA-N 0 1 242.706 2.711 20 0 BFADMN C[C@@H]1CCCC[C@H]1Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227270323 975344682 /nfs/dbraw/zinc/34/46/82/975344682.db2.gz FKSIEHKFOBJOQN-PSASIEDQSA-N 0 1 247.298 2.621 20 0 BFADMN CN1CCC[C@H](Oc2ccc(O)cc2Cl)C1 ZINC001227441749 975416226 /nfs/dbraw/zinc/41/62/26/975416226.db2.gz CLDIDZBLOCUHKG-JTQLQIEISA-N 0 1 241.718 2.519 20 0 BFADMN C[C@H](C[N@@H+](C)Cc1cccc2ccoc21)C(=O)[O-] ZINC001333124952 975465828 /nfs/dbraw/zinc/46/58/28/975465828.db2.gz NPARGSBMSYMSAV-SNVBAGLBSA-N 0 1 247.294 2.585 20 0 BFADMN C[C@@H]1CC[C@@H](Oc2ncnc3nc[nH]c32)C[C@H]1C ZINC001227532644 975506905 /nfs/dbraw/zinc/50/69/05/975506905.db2.gz ZPBCNMLIUTTWKP-OPRDCNLKSA-N 0 1 246.314 2.556 20 0 BFADMN CCCCC[C@@H](C)Oc1ncnc2nc[nH]c21 ZINC001227530817 975506975 /nfs/dbraw/zinc/50/69/75/975506975.db2.gz BKVZXQSNYCGVBV-SECBINFHSA-N 0 1 234.303 2.701 20 0 BFADMN C[C@@H]1CC(Oc2ncnc3nc[nH]c32)C[C@@H](C)C1 ZINC001227531314 975509749 /nfs/dbraw/zinc/50/97/49/975509749.db2.gz HPHFGMJWCYIQGE-IUCAKERBSA-N 0 1 246.314 2.556 20 0 BFADMN C[C@@H]1CC[C@H](C)[C@H](Oc2ncnc3nc[nH]c32)C1 ZINC001227530699 975511381 /nfs/dbraw/zinc/51/13/81/975511381.db2.gz ADMQCXCIVRZZIF-KXUCPTDWSA-N 0 1 246.314 2.556 20 0 BFADMN CC[C@@H](Oc1ncnc2nc[nH]c21)C(C)(C)C ZINC001227531066 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ZINC000093157793 388827880 /nfs/dbraw/zinc/82/78/80/388827880.db2.gz VXZUHXJUFTVGRV-UHFFFAOYSA-N 0 1 238.334 2.948 20 0 BFADMN Cc1oncc1CN[C@H](C)c1ccccc1 ZINC000129681388 388864641 /nfs/dbraw/zinc/86/46/41/388864641.db2.gz CIEGKQJRSYRLLF-SNVBAGLBSA-N 0 1 216.284 2.834 20 0 BFADMN CC(C)[C@@H]1C[N@@H+](Cc2cn[nH]c2)[C@H]1C(C)C ZINC000648766066 388847664 /nfs/dbraw/zinc/84/76/64/388847664.db2.gz ZMLVQPAIPPLQEW-STQMWFEESA-N 0 1 221.348 2.522 20 0 BFADMN CC(C)[C@@H]1C[N@@H+](Cc2cn[nH]c2)[C@@H]1C(C)C ZINC000648766065 388848860 /nfs/dbraw/zinc/84/88/60/388848860.db2.gz ZMLVQPAIPPLQEW-QWHCGFSZSA-N 0 1 221.348 2.522 20 0 BFADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000564660473 388883995 /nfs/dbraw/zinc/88/39/95/388883995.db2.gz GONCMIBAHAXWTL-CQSZACIVSA-N 0 1 249.354 2.660 20 0 BFADMN Cn1nccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000070234377 388878118 /nfs/dbraw/zinc/87/81/18/388878118.db2.gz JOALZCMZEZDJJK-UHFFFAOYSA-N 0 1 232.674 2.617 20 0 BFADMN Cc1ccc(CCCN2CCC[C@@H](F)C2)cn1 ZINC000565100798 388913180 /nfs/dbraw/zinc/91/31/80/388913180.db2.gz ZALDVIMDBZNHHP-CQSZACIVSA-N 0 1 236.334 2.757 20 0 BFADMN Cc1ccc(CCCN2CCC[C@H](F)C2)cn1 ZINC000565100791 388915419 /nfs/dbraw/zinc/91/54/19/388915419.db2.gz ZALDVIMDBZNHHP-AWEZNQCLSA-N 0 1 236.334 2.757 20 0 BFADMN CC[C@H]1C[N@H+](C)CCN1Cc1ccc(C)s1 ZINC000565261663 388932875 /nfs/dbraw/zinc/93/28/75/388932875.db2.gz BYLAKKJTTSZLNT-LBPRGKRZSA-N 0 1 238.400 2.583 20 0 BFADMN CN(Cc1ccon1)CC1Cc2ccccc2C1 ZINC000565747299 388967117 /nfs/dbraw/zinc/96/71/17/388967117.db2.gz FSGIOSQAYJKAMD-UHFFFAOYSA-N 0 1 242.322 2.521 20 0 BFADMN Clc1ccc(SCCc2c[nH]nn2)cc1 ZINC000565759587 388967347 /nfs/dbraw/zinc/96/73/47/388967347.db2.gz WDXKJPNWGRMAKT-UHFFFAOYSA-N 0 1 239.731 2.793 20 0 BFADMN C[C@H](N[C@H]1CCC12CCOCC2)C(C)(F)F ZINC000565522119 388950154 /nfs/dbraw/zinc/95/01/54/388950154.db2.gz BJWLKNGQXLHASJ-UWVGGRQHSA-N 0 1 233.302 2.579 20 0 BFADMN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1cscn1 ZINC000271925703 389028631 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CC(C)n1nccc1CN[C@@H](C)c1ccc[nH]1 ZINC000793032064 586008570 /nfs/dbraw/zinc/00/85/70/586008570.db2.gz QQJACPIOYOJFCT-NSHDSACASA-N 0 1 232.331 2.643 20 0 BFADMN C/C(=C/C[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000116668060 589029250 /nfs/dbraw/zinc/02/92/50/589029250.db2.gz HKOYYXPWGMHKBV-XFFZJAGNSA-N 0 1 225.332 2.528 20 0 BFADMN CC(C)C[C@H](C)CN(C)[C@H]1CC(C)(C)OC1=O ZINC000795686059 586091089 /nfs/dbraw/zinc/09/10/89/586091089.db2.gz JONZDDZRWQQCNX-RYUDHWBXSA-N 0 1 241.375 2.695 20 0 BFADMN CCCOC(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000796515607 586105711 /nfs/dbraw/zinc/10/57/11/586105711.db2.gz XWKQRZFRNFFYTF-LBPRGKRZSA-N 0 1 239.359 2.594 20 0 BFADMN CC1=CCC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000797997001 586135633 /nfs/dbraw/zinc/13/56/33/586135633.db2.gz PWAJCTRBMGSRLL-AWEZNQCLSA-N 0 1 235.302 2.511 20 0 BFADMN CC1=CCCN(C[C@H](O)c2cccc(F)c2)C1 ZINC000797997001 586135634 /nfs/dbraw/zinc/13/56/34/586135634.db2.gz PWAJCTRBMGSRLL-AWEZNQCLSA-N 0 1 235.302 2.511 20 0 BFADMN CCCN(Cc1cc(Cl)n(C)n1)C(C)C ZINC000859336475 589032489 /nfs/dbraw/zinc/03/24/89/589032489.db2.gz PXSIHFQFAGWQBU-UHFFFAOYSA-N 0 1 229.755 2.694 20 0 BFADMN CC[C@@H](C)N(CC)Cc1cc(Cl)n(C)n1 ZINC000859341954 589032496 /nfs/dbraw/zinc/03/24/96/589032496.db2.gz CEYVJGJPECNKRH-SECBINFHSA-N 0 1 229.755 2.694 20 0 BFADMN C[C@@H]1C[C@@H]1COC(=O)c1ccc(O)c(Cl)c1 ZINC000859450692 589038260 /nfs/dbraw/zinc/03/82/60/589038260.db2.gz UHMCKXGXJMGMLI-VXNVDRBHSA-N 0 1 240.686 2.858 20 0 BFADMN C[C@@H]1CCC[C@@H](CN2CCO[C@H](C(F)F)C2)C1 ZINC000801563430 586261970 /nfs/dbraw/zinc/26/19/70/586261970.db2.gz CVBRYTOSVALPBR-UTUOFQBUSA-N 0 1 247.329 2.779 20 0 BFADMN C[C@@H]1[C@H](C)OCCN1CCSC(C)(C)C ZINC000801929694 586278415 /nfs/dbraw/zinc/27/84/15/586278415.db2.gz XUNDLJPXNUZCOD-MNOVXSKESA-N 0 1 231.405 2.627 20 0 BFADMN C[C@H]1OCCN(CCSC(C)(C)C)[C@@H]1C ZINC000801929693 586278451 /nfs/dbraw/zinc/27/84/51/586278451.db2.gz XUNDLJPXNUZCOD-GHMZBOCLSA-N 0 1 231.405 2.627 20 0 BFADMN 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ZINC000336355175 385152727 /nfs/dbraw/zinc/15/27/27/385152727.db2.gz GTFAKHXFLPCTQN-SNVBAGLBSA-N 0 1 222.332 2.851 20 0 BFADMN C[C@@H]1[C@H](O)CCCN1Cc1ccc(Cl)cc1 ZINC000294738535 385155240 /nfs/dbraw/zinc/15/52/40/385155240.db2.gz DVSMASVMWVIXGG-ZWNOBZJWSA-N 0 1 239.746 2.685 20 0 BFADMN C[C@H](NCc1ccoc1)c1ccc2c(c1)OCO2 ZINC000062103547 385157613 /nfs/dbraw/zinc/15/76/13/385157613.db2.gz KAGJPHBIGMQBBI-JTQLQIEISA-N 0 1 245.278 2.859 20 0 BFADMN C[C@H]1c2ccccc2CCN1Cc1cncn1C ZINC000177060777 385173988 /nfs/dbraw/zinc/17/39/88/385173988.db2.gz PBMCUOVRFCEYAG-LBPRGKRZSA-N 0 1 241.338 2.539 20 0 BFADMN Fc1ccc2c(c1)C[N@H+](CC[C@@H]1CCCO1)CC2 ZINC000189719269 385179609 /nfs/dbraw/zinc/17/96/09/385179609.db2.gz IRWCTIVKNBPHHM-HNNXBMFYSA-N 0 1 249.329 2.753 20 0 BFADMN C[C@@H](CF)NCc1coc2ccccc12 ZINC000308860765 385221656 /nfs/dbraw/zinc/22/16/56/385221656.db2.gz RICOYHOIZIUDNN-VIFPVBQESA-N 0 1 207.248 2.880 20 0 BFADMN CC[C@H](COC)N[C@H](C)c1cccnc1Cl ZINC000152901207 385222720 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WVMIARBEISMQPB-UHFFFAOYSA-N 0 1 249.358 2.861 20 0 BFADMN C[C@H](O)CCCN(C)Cc1ccccc1Cl ZINC000309278103 385507656 /nfs/dbraw/zinc/50/76/56/385507656.db2.gz MPOYNXWGKWWCAT-NSHDSACASA-N 0 1 241.762 2.933 20 0 BFADMN CCc1cc(NC(=O)c2cn[nH]c2C)ccc1C ZINC000183195005 385511815 /nfs/dbraw/zinc/51/18/15/385511815.db2.gz SOIAQFGRINWADK-UHFFFAOYSA-N 0 1 243.310 2.841 20 0 BFADMN Cc1[nH]ncc1CN(C)c1cc(C)cc(C)c1 ZINC000180697674 385540980 /nfs/dbraw/zinc/54/09/80/385540980.db2.gz QHTXFBGIZBCCCM-UHFFFAOYSA-N 0 1 229.327 2.971 20 0 BFADMN Cc1cnc(CN2CCC[C@H](C)C2)s1 ZINC000180421822 385521783 /nfs/dbraw/zinc/52/17/83/385521783.db2.gz ZBIUBMBZASZTLN-VIFPVBQESA-N 0 1 210.346 2.683 20 0 BFADMN CC[C@@H](F)CNC(C)(C)c1ccc(C)nc1 ZINC000309418202 385575122 /nfs/dbraw/zinc/57/51/22/385575122.db2.gz DBNGZVPHXDJTMJ-GFCCVEGCSA-N 0 1 224.323 2.963 20 0 BFADMN Cc1cnc(CN2CC[C@@H](C)[C@H](C)C2)s1 ZINC000180850686 385550543 /nfs/dbraw/zinc/55/05/43/385550543.db2.gz BVDAFKAKERVKEC-NXEZZACHSA-N 0 1 224.373 2.929 20 0 BFADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000158216276 385552916 /nfs/dbraw/zinc/55/29/16/385552916.db2.gz NFTKAJBWVGOVIP-OKILXGFUSA-N 0 1 245.322 2.617 20 0 BFADMN CS[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000309376461 385555720 /nfs/dbraw/zinc/55/57/20/385555720.db2.gz CQQLHYADUFJNNN-SFYZADRCSA-N 0 1 229.349 2.540 20 0 BFADMN CC[C@H]1CCCC[C@H]1C(=O)NCc1cn[nH]c1C ZINC000280965089 385622815 /nfs/dbraw/zinc/62/28/15/385622815.db2.gz SOMYRHDWHFASTA-WCQYABFASA-N 0 1 249.358 2.551 20 0 BFADMN Cc1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1 ZINC000251509456 385624970 /nfs/dbraw/zinc/62/49/70/385624970.db2.gz ZCQAAEOOBNOTBV-CHWSQXEVSA-N 0 1 219.328 2.604 20 0 BFADMN CC[C@@H](COC)[NH2+]Cc1cccc([O-])c1Cl ZINC000293513859 385627603 /nfs/dbraw/zinc/62/76/03/385627603.db2.gz IGFNTMOAQXSFGV-JTQLQIEISA-N 0 1 243.734 2.560 20 0 BFADMN CO[C@H](C)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000181999702 385627582 /nfs/dbraw/zinc/62/75/82/385627582.db2.gz LSHHULAZRYCJTA-MNOVXSKESA-N 0 1 225.307 2.853 20 0 BFADMN CO[C@@H](C)C[N@@H+](Cc1cccs1)C1CC1 ZINC000182018694 385630602 /nfs/dbraw/zinc/63/06/02/385630602.db2.gz RBJWSZJISAAHBH-JTQLQIEISA-N 0 1 225.357 2.747 20 0 BFADMN Cc1nnsc1CN([C@H](C)C(C)C)C1CC1 ZINC000647909907 385630954 /nfs/dbraw/zinc/63/09/54/385630954.db2.gz SPONQPURMJILHF-SNVBAGLBSA-N 0 1 239.388 2.855 20 0 BFADMN C[C@H](CF)NCc1cc(F)cc(Cl)c1 ZINC000336683537 385648802 /nfs/dbraw/zinc/64/88/02/385648802.db2.gz JBXAMWUQTCPCSI-SSDOTTSWSA-N 0 1 219.662 2.927 20 0 BFADMN Cc1ccnc(NCC(C)(C)[C@H](O)C(C)C)c1 ZINC000269929791 385651089 /nfs/dbraw/zinc/65/10/89/385651089.db2.gz MRJKOLZIWQGZNL-CYBMUJFWSA-N 0 1 236.359 2.845 20 0 BFADMN CSCCC[N@@H+](C)Cc1sc(C)nc1C ZINC000281371272 385663149 /nfs/dbraw/zinc/66/31/49/385663149.db2.gz VQBXPGACSXBFJD-UHFFFAOYSA-N 0 1 244.429 2.945 20 0 BFADMN COC[C@@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000184546546 385674168 /nfs/dbraw/zinc/67/41/68/385674168.db2.gz LYCNALWZAIBCDQ-VXGBXAGGSA-N 0 1 221.300 2.665 20 0 BFADMN CC(C)c1nnc(CN[C@H]2CCCC[C@H]2C)o1 ZINC000184586380 385681383 /nfs/dbraw/zinc/68/13/83/385681383.db2.gz UYTARUNIVCPOHX-MNOVXSKESA-N 0 1 237.347 2.861 20 0 BFADMN c1cncc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340103374 385686780 /nfs/dbraw/zinc/68/67/80/385686780.db2.gz DFTDCRKJVXXQFU-HNNXBMFYSA-N 0 1 239.322 2.718 20 0 BFADMN CCN(Cc1n[nH]cc1C)C1CC(C)(C)C1 ZINC000414538106 385701840 /nfs/dbraw/zinc/70/18/40/385701840.db2.gz QCOZFYJMLPKBPS-UHFFFAOYSA-N 0 1 221.348 2.729 20 0 BFADMN COc1c(C)cnc(CN2CC=C(C)CC2)c1C ZINC000270392991 385703766 /nfs/dbraw/zinc/70/37/66/385703766.db2.gz YIMNFQKCNSSRCH-UHFFFAOYSA-N 0 1 246.354 2.859 20 0 BFADMN CCC[C@H](CC)NC(=O)[C@H](N)c1ccc(C)cc1 ZINC000230800005 385758577 /nfs/dbraw/zinc/75/85/77/385758577.db2.gz QHYXWQHTOXPLLS-UONOGXRCSA-N 0 1 248.370 2.690 20 0 BFADMN Cc1ccoc1CNc1ccc2c(n1)CCC2 ZINC000336701040 385766450 /nfs/dbraw/zinc/76/64/50/385766450.db2.gz JTNADPZVQLNCPJ-UHFFFAOYSA-N 0 1 228.295 2.506 20 0 BFADMN CCc1noc(CN2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC000645249258 385771896 /nfs/dbraw/zinc/77/18/96/385771896.db2.gz KYGOCLLXWLVVCG-WDEREUQCSA-N 0 1 249.358 2.643 20 0 BFADMN CC[C@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000271023176 385772598 /nfs/dbraw/zinc/77/25/98/385772598.db2.gz BTMXJSCYXUGBLI-AWEZNQCLSA-N 0 1 244.338 2.779 20 0 BFADMN CCc1ncc(CN(CC)C2CC2)s1 ZINC000271038633 385776270 /nfs/dbraw/zinc/77/62/70/385776270.db2.gz HNJJQISMBAXMQL-UHFFFAOYSA-N 0 1 210.346 2.690 20 0 BFADMN COC[C@H](C)N(C)Cc1cc(C)ccc1F ZINC000271108029 385788317 /nfs/dbraw/zinc/78/83/17/385788317.db2.gz BWLDXPPGHMENTK-NSHDSACASA-N 0 1 225.307 2.601 20 0 BFADMN Cc1cc(CN2CCC[C@@H]2CF)cc(C)c1O ZINC000294004945 385785093 /nfs/dbraw/zinc/78/50/93/385785093.db2.gz MMVIIAKZOQAGRZ-CYBMUJFWSA-N 0 1 237.318 2.943 20 0 BFADMN CSCCN1CCc2cccc(F)c2C1 ZINC000271092366 385785525 /nfs/dbraw/zinc/78/55/25/385785525.db2.gz HVDROYWBHLFDGT-UHFFFAOYSA-N 0 1 225.332 2.547 20 0 BFADMN CSC[C@H]1CCC[N@@H+](Cc2conc2C)C1 ZINC000294094528 385801806 /nfs/dbraw/zinc/80/18/06/385801806.db2.gz ZUYQOGXDMSXYKK-NSHDSACASA-N 0 1 240.372 2.558 20 0 BFADMN CC[C@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000331655724 385815612 /nfs/dbraw/zinc/81/56/12/385815612.db2.gz XITFYHJLWIGJOG-NSHDSACASA-N 0 1 247.298 2.704 20 0 BFADMN CC[C@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000331655724 385815618 /nfs/dbraw/zinc/81/56/18/385815618.db2.gz XITFYHJLWIGJOG-NSHDSACASA-N 0 1 247.298 2.704 20 0 BFADMN CC(C)COCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000283295205 385815796 /nfs/dbraw/zinc/81/57/96/385815796.db2.gz MWJIIWRAHNNPLL-OAHLLOKOSA-N 0 1 248.370 2.891 20 0 BFADMN CCN(CCOCC(C)C)Cc1ccccn1 ZINC000283320031 385816089 /nfs/dbraw/zinc/81/60/89/385816089.db2.gz OQIOOEGUKJQPBU-UHFFFAOYSA-N 0 1 236.359 2.576 20 0 BFADMN CCCN(CC(=O)OC(C)(C)C)C[C@H]1C[C@@H]1C ZINC000488518455 385818207 /nfs/dbraw/zinc/81/82/07/385818207.db2.gz FASVQEJMKKYLJO-NWDGAFQWSA-N 0 1 241.375 2.696 20 0 BFADMN CC[C@@H](CN(C)Cc1cc(Cl)cn1C)OC ZINC000412977521 385824963 /nfs/dbraw/zinc/82/49/63/385824963.db2.gz LWKZUOVKNYXRGH-LBPRGKRZSA-N 0 1 244.766 2.535 20 0 BFADMN CC(C)(C)C1=CCN(Cc2ccc(CO)o2)CC1 ZINC000271415676 385826541 /nfs/dbraw/zinc/82/65/41/385826541.db2.gz YHLNFOXFAMXHOM-UHFFFAOYSA-N 0 1 249.354 2.950 20 0 BFADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C2CC2)[nH]n1 ZINC000271485266 385832106 /nfs/dbraw/zinc/83/21/06/385832106.db2.gz VBMXQOFAKRQABG-KOLCDFICSA-N 0 1 247.342 2.690 20 0 BFADMN C[C@@H](NCC[C@H](C)F)c1c(F)cncc1F ZINC000336738380 385834282 /nfs/dbraw/zinc/83/42/82/385834282.db2.gz KCJCSMZJQRPPMO-JGVFFNPUSA-N 0 1 232.249 2.759 20 0 BFADMN Cc1cnccc1CCN[C@@H](C)c1cscn1 ZINC000271495842 385834847 /nfs/dbraw/zinc/83/48/47/385834847.db2.gz LGVPYWYFXUGCHW-NSHDSACASA-N 0 1 247.367 2.740 20 0 BFADMN C[C@H](F)CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000340462947 385844266 /nfs/dbraw/zinc/84/42/66/385844266.db2.gz WCHUVOZSJKJZAR-WCQYABFASA-N 0 1 247.317 2.837 20 0 BFADMN C[C@@H](F)CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000340462946 385845260 /nfs/dbraw/zinc/84/52/60/385845260.db2.gz WCHUVOZSJKJZAR-DGCLKSJQSA-N 0 1 247.317 2.837 20 0 BFADMN Cc1cn[nH]c1CNc1ccc2c(c1)CCC2 ZINC000284019447 385845752 /nfs/dbraw/zinc/84/57/52/385845752.db2.gz LPWFDXDZGVIXHS-UHFFFAOYSA-N 0 1 227.311 2.819 20 0 BFADMN Cc1ccc(C)c([C@H]2CCC[N@H+]2CCC(=O)[O-])c1 ZINC000262458487 385849008 /nfs/dbraw/zinc/84/90/08/385849008.db2.gz FMXVEHKIAXWBTK-CQSZACIVSA-N 0 1 247.338 2.915 20 0 BFADMN CC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)CC1CC1 ZINC000069238532 385852780 /nfs/dbraw/zinc/85/27/80/385852780.db2.gz RZIBNHKQPUUWPO-UHFFFAOYSA-N 0 1 237.299 2.518 20 0 BFADMN C[C@H](C(=O)NOC1CCCC1)c1cccs1 ZINC000271850880 385855554 /nfs/dbraw/zinc/85/55/54/385855554.db2.gz ZVFLWGNHJJPPEY-VIFPVBQESA-N 0 1 239.340 2.842 20 0 BFADMN C[C@H](NCCc1ccccc1O)c1cscn1 ZINC000271118692 385789843 /nfs/dbraw/zinc/78/98/43/385789843.db2.gz IXVDTIXBCWAZPT-JTQLQIEISA-N 0 1 248.351 2.742 20 0 BFADMN Cc1[nH]nc2ccc(-c3cccnc3)cc21 ZINC000063540170 385790145 /nfs/dbraw/zinc/79/01/45/385790145.db2.gz HXESDBWWDYJEJQ-UHFFFAOYSA-N 0 1 209.252 2.933 20 0 BFADMN Cc1cc(CN(C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000271142014 385791577 /nfs/dbraw/zinc/79/15/77/385791577.db2.gz DZLQFCHZLYPWMR-BXKDBHETSA-N 0 1 208.305 2.603 20 0 BFADMN c1csc(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000271145422 385793361 /nfs/dbraw/zinc/79/33/61/385793361.db2.gz ZXTSMFVFJQFXTA-RYUDHWBXSA-N 0 1 223.341 2.501 20 0 BFADMN c1cc(CN2CCC=C(c3ccccc3)C2)on1 ZINC000284785264 385884566 /nfs/dbraw/zinc/88/45/66/385884566.db2.gz OGPDWNRJCCPOIY-UHFFFAOYSA-N 0 1 240.306 2.964 20 0 BFADMN CCc1cnc(CN[C@@H]2C[C@H]2c2ccco2)s1 ZINC000414593283 385887850 /nfs/dbraw/zinc/88/78/50/385887850.db2.gz QURMPBWQBRWHBM-GHMZBOCLSA-N 0 1 248.351 2.944 20 0 BFADMN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000340485314 385928759 /nfs/dbraw/zinc/92/87/59/385928759.db2.gz GSIMJCVUBIUMQO-DMDPSCGWSA-N 0 1 238.331 2.591 20 0 BFADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](C)C1CC1 ZINC000272444129 385903872 /nfs/dbraw/zinc/90/38/72/385903872.db2.gz LKSNVKOSFJDBPK-RXMQYKEDSA-N 0 1 243.257 2.640 20 0 BFADMN CO[C@H]1C[C@@H](N(C)Cc2cccc(F)c2F)C1 ZINC000285402570 385922003 /nfs/dbraw/zinc/92/20/03/385922003.db2.gz OWSJKCZTNDWFOQ-PHIMTYICSA-N 0 1 241.281 2.574 20 0 BFADMN CC=C(C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272700487 385924889 /nfs/dbraw/zinc/92/48/89/385924889.db2.gz FMKSCWWVZAIQFO-SNAWJCMRSA-N 0 1 229.230 2.560 20 0 BFADMN CN(Cc1ccoc1)Cc1ccccc1 ZINC000345094254 385994596 /nfs/dbraw/zinc/99/45/96/385994596.db2.gz FJRCVJONJJNJQV-UHFFFAOYSA-N 0 1 201.269 2.912 20 0 BFADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2csc(C)n2)C1 ZINC000414132322 385978468 /nfs/dbraw/zinc/97/84/68/385978468.db2.gz ALDHYPAIMOTTMA-INTQDDNPSA-N 0 1 240.372 2.670 20 0 BFADMN C[C@@H](NCC1(C(F)F)CC1)c1nccs1 ZINC000336769599 385983629 /nfs/dbraw/zinc/98/36/29/385983629.db2.gz VVQOJIIKKMYBPN-SSDOTTSWSA-N 0 1 232.299 2.839 20 0 BFADMN Cc1ccc(CN(C)Cc2cnc(C)nc2)cc1 ZINC000338376792 385984889 /nfs/dbraw/zinc/98/48/89/385984889.db2.gz YVFUFYKAAVTCTB-UHFFFAOYSA-N 0 1 241.338 2.725 20 0 BFADMN Cc1nccc(N2CCO[C@H](C)[C@@H]2C)c1Cl ZINC000334321388 385985602 /nfs/dbraw/zinc/98/56/02/385985602.db2.gz WVGUKQULCQMDTH-VHSXEESVSA-N 0 1 240.734 2.657 20 0 BFADMN COC[C@@H]1CCN1Cc1c(C)cccc1Cl ZINC000295191317 385988738 /nfs/dbraw/zinc/98/87/38/385988738.db2.gz KYZLXKQQJGRAHN-NSHDSACASA-N 0 1 239.746 2.869 20 0 BFADMN CC[C@@H](C)CCc1nc(C2(N)CCCC2)no1 ZINC000414623951 385989181 /nfs/dbraw/zinc/98/91/81/385989181.db2.gz FVYKXHOBTWULSK-SNVBAGLBSA-N 0 1 237.347 2.776 20 0 BFADMN Cn1ccc(CNc2ccc3c(n2)CCC3)c1 ZINC000294974684 385932014 /nfs/dbraw/zinc/93/20/14/385932014.db2.gz XRGZHDQETRTITE-UHFFFAOYSA-N 0 1 227.311 2.521 20 0 BFADMN CC[C@H]1[C@@H](C)CCN1Cc1cc(F)ncc1F ZINC000294998178 385937812 /nfs/dbraw/zinc/93/78/12/385937812.db2.gz HPIHABLOLDKMQN-CABZTGNLSA-N 0 1 240.297 2.980 20 0 BFADMN CO[C@H](C)CN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000272862573 385942085 /nfs/dbraw/zinc/94/20/85/385942085.db2.gz XWAPKPIAJUKJOU-WZRBSPASSA-N 0 1 237.343 2.870 20 0 BFADMN CO[C@H](C)CN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000272862571 385943867 /nfs/dbraw/zinc/94/38/67/385943867.db2.gz XWAPKPIAJUKJOU-LOWVWBTDSA-N 0 1 237.343 2.870 20 0 BFADMN CCC[C@@H](O)CN[C@@](C)(CC)c1nccs1 ZINC000295025052 385946113 /nfs/dbraw/zinc/94/61/13/385946113.db2.gz VEVKKTMINLNTTE-PWSUYJOCSA-N 0 1 242.388 2.519 20 0 BFADMN CCC[C@H]1CN(CCSC(C)C)CCO1 ZINC000338282401 385948859 /nfs/dbraw/zinc/94/88/59/385948859.db2.gz XNWHHNBIYSQSEC-LBPRGKRZSA-N 0 1 231.405 2.629 20 0 BFADMN CC(C)[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000295091440 385965180 /nfs/dbraw/zinc/96/51/80/385965180.db2.gz TWQWDALORNTRGD-QMMMGPOBSA-N 0 1 247.264 2.630 20 0 BFADMN Cc1cn[nH]c1CNc1ccc(C)c(C)c1 ZINC000289989088 385965654 /nfs/dbraw/zinc/96/56/54/385965654.db2.gz SGPPTJJFNHQXBL-UHFFFAOYSA-N 0 1 215.300 2.947 20 0 BFADMN C[C@H](NCCOC(C)(C)C)c1ccncc1F ZINC000338359048 385965694 /nfs/dbraw/zinc/96/56/94/385965694.db2.gz SZMINLPRPMNXEB-JTQLQIEISA-N 0 1 240.322 2.686 20 0 BFADMN COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)nc1 ZINC000338361004 385969418 /nfs/dbraw/zinc/96/94/18/385969418.db2.gz NPIYOAKUIVWBDE-WCQYABFASA-N 0 1 234.343 2.711 20 0 BFADMN CCN(Cc1nc(C(F)F)no1)C1CCCC1 ZINC000425406269 385969621 /nfs/dbraw/zinc/96/96/21/385969621.db2.gz MJNPPYFHNMUPEI-UHFFFAOYSA-N 0 1 245.273 2.772 20 0 BFADMN CC(C)[C@@]1(C)C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000334853696 385972286 /nfs/dbraw/zinc/97/22/86/385972286.db2.gz MVOSQJIJRYEMOA-JOYOIKCWSA-N 0 1 235.331 2.557 20 0 BFADMN C[C@H](NCCC(C)(F)F)c1cc2n(n1)CCC2 ZINC000414149057 385997610 /nfs/dbraw/zinc/99/76/10/385997610.db2.gz UKMIXGWYKVNFJW-VIFPVBQESA-N 0 1 243.301 2.525 20 0 BFADMN CCOC[C@H](N[C@H](C)c1cscn1)C(C)C ZINC000233791449 385999812 /nfs/dbraw/zinc/99/98/12/385999812.db2.gz CNRXJTDDLPLZRD-MNOVXSKESA-N 0 1 242.388 2.855 20 0 BFADMN Cc1cc(C(=O)N2CCC[C@@]2(C)CC(C)C)n[nH]1 ZINC000295355520 386017143 /nfs/dbraw/zinc/01/71/43/386017143.db2.gz AZCIGFRHEBRMIQ-AWEZNQCLSA-N 0 1 249.358 2.759 20 0 BFADMN C[C@H](Cc1ccccc1)C[N@@H+](C)CCCC(=O)[O-] ZINC000414636263 386018564 /nfs/dbraw/zinc/01/85/64/386018564.db2.gz KCNCRPPBPSQGDU-CYBMUJFWSA-N 0 1 249.354 2.662 20 0 BFADMN C[C@H]1CCCC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000335060435 386023587 /nfs/dbraw/zinc/02/35/87/386023587.db2.gz QAPQREQEFBCXNO-VHSXEESVSA-N 0 1 235.331 2.701 20 0 BFADMN C[C@@H]1CCCC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000335060433 386024364 /nfs/dbraw/zinc/02/43/64/386024364.db2.gz QAPQREQEFBCXNO-NXEZZACHSA-N 0 1 235.331 2.701 20 0 BFADMN Cn1cc(Cl)cc1C[N@@H+](C)CCCCF ZINC000286376217 386032886 /nfs/dbraw/zinc/03/28/86/386032886.db2.gz KEDMFTBXEJGATM-UHFFFAOYSA-N 0 1 232.730 2.860 20 0 BFADMN CCC(O)(CC)CCN[C@@H](C)c1cc(C)on1 ZINC000340504075 386036724 /nfs/dbraw/zinc/03/67/24/386036724.db2.gz ZPKCOQRWZPIRCK-NSHDSACASA-N 0 1 240.347 2.575 20 0 BFADMN CC(C)n1cc(-c2nc3ccc(F)cc3[nH]2)nn1 ZINC000286452702 386041270 /nfs/dbraw/zinc/04/12/70/386041270.db2.gz JQCVIHLLDSVNPM-UHFFFAOYSA-N 0 1 245.261 2.541 20 0 BFADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C)C[C@H]1F ZINC000335074832 386042645 /nfs/dbraw/zinc/04/26/45/386042645.db2.gz FDPQECHSJMYXQS-DGCLKSJQSA-N 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0 1 205.342 2.562 20 0 BFADMN CCc1cccc(N(C)Cc2[nH]ncc2C)c1 ZINC000453623490 388094692 /nfs/dbraw/zinc/09/46/92/388094692.db2.gz ZEXITNFSPYEPEO-UHFFFAOYSA-N 0 1 229.327 2.917 20 0 BFADMN Cc1cccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000086778865 388108721 /nfs/dbraw/zinc/10/87/21/388108721.db2.gz OKNHQFCXQIPGTG-HNNXBMFYSA-N 0 1 247.338 2.600 20 0 BFADMN Cc1ccccc1C1(NCc2cnn(C)c2)CC1 ZINC000645979824 388113923 /nfs/dbraw/zinc/11/39/23/388113923.db2.gz JICUMMYFOIXTRW-UHFFFAOYSA-N 0 1 241.338 2.507 20 0 BFADMN CC[C@H](F)CN(C)C[C@H](C)c1nccs1 ZINC000440507241 388046787 /nfs/dbraw/zinc/04/67/87/388046787.db2.gz STNJJOURXUQXFU-UWVGGRQHSA-N 0 1 230.352 2.927 20 0 BFADMN CC[C@@H](F)CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000440510887 388049824 /nfs/dbraw/zinc/04/98/24/388049824.db2.gz RBLPERNHOUPPOV-SNVBAGLBSA-N 0 1 241.354 2.887 20 0 BFADMN Cc1noc([C@H](C)N[C@@H](C)CC(C)(C)C)n1 ZINC000449278940 388166342 /nfs/dbraw/zinc/16/63/42/388166342.db2.gz NANVTYBTEMATAD-IUCAKERBSA-N 0 1 225.336 2.853 20 0 BFADMN C[C@H](CCC(F)(F)F)NC(CF)CF ZINC000449379972 388187993 /nfs/dbraw/zinc/18/79/93/388187993.db2.gz LGFPVLPJRVUIFY-ZCFIWIBFSA-N 0 1 219.197 2.615 20 0 BFADMN COc1cc(F)cc(CN2CCC=C(C)C2)c1 ZINC000449297977 388168731 /nfs/dbraw/zinc/16/87/31/388168731.db2.gz FPTTUCCAUUZUBT-UHFFFAOYSA-N 0 1 235.302 2.986 20 0 BFADMN Fc1cnccc1CN1CCCC2(CCC2)C1 ZINC000449294497 388169247 /nfs/dbraw/zinc/16/92/47/388169247.db2.gz LSRMTCUCGQHZDM-UHFFFAOYSA-N 0 1 234.318 2.987 20 0 BFADMN CC[C@@H]1C[C@H](N[C@H](C)c2cc(C)on2)CCO1 ZINC000449305037 388170699 /nfs/dbraw/zinc/17/06/99/388170699.db2.gz DPSVYFLJHOFKKT-IJLUTSLNSA-N 0 1 238.331 2.591 20 0 BFADMN CCCC(CCC)C(=O)N1CCc2nc[nH]c2C1 ZINC000646259671 388171399 /nfs/dbraw/zinc/17/13/99/388171399.db2.gz RKMKTUBFLBNJJQ-UHFFFAOYSA-N 0 1 249.358 2.511 20 0 BFADMN CCN1CC[N@H+](CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449321517 388172579 /nfs/dbraw/zinc/17/25/79/388172579.db2.gz MAGZVCADXZGVLP-HNNXBMFYSA-N 0 1 246.398 2.564 20 0 BFADMN FCC(CF)NC1CCC2(CC2)CC1 ZINC000449379917 388188313 /nfs/dbraw/zinc/18/83/13/388188313.db2.gz KTGUJNDWCBKLBM-UHFFFAOYSA-N 0 1 203.276 2.606 20 0 BFADMN CC[C@@H]1CCN1Cc1cc(F)cc(OC)c1 ZINC000449338022 388176032 /nfs/dbraw/zinc/17/60/32/388176032.db2.gz DRXKSJBDAAJPQZ-GFCCVEGCSA-N 0 1 223.291 2.819 20 0 BFADMN CCN(Cc1cccc(C)c1F)[C@@H]1CCOC1 ZINC000449338835 388176389 /nfs/dbraw/zinc/17/63/89/388176389.db2.gz WLKHPQQOQRJVRV-CYBMUJFWSA-N 0 1 237.318 2.745 20 0 BFADMN C[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)[C@H](C)O1 ZINC000449342644 388177263 /nfs/dbraw/zinc/17/72/63/388177263.db2.gz CZXBVWIINYSFHY-GBIKHYSHSA-N 0 1 232.327 2.548 20 0 BFADMN CC[C@H](N[C@H]1CCO[C@H](C(C)C)C1)C(F)F ZINC000449361494 388181977 /nfs/dbraw/zinc/18/19/77/388181977.db2.gz KSFSGLYRVQFASC-DCAQKATOSA-N 0 1 235.318 2.823 20 0 BFADMN CC[C@H](NC[C@@H]1CCO[C@H](CC)C1)C(F)F ZINC000449362091 388182280 /nfs/dbraw/zinc/18/22/80/388182280.db2.gz MCROZJHUWGFCOJ-MXWKQRLJSA-N 0 1 235.318 2.825 20 0 BFADMN Cc1cccc(CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000448988112 388125557 /nfs/dbraw/zinc/12/55/57/388125557.db2.gz ALNOETDIHWBYRI-OKILXGFUSA-N 0 1 233.355 2.647 20 0 BFADMN Cc1nnc([C@H](C)N(C)CCC(C)(C)C)o1 ZINC000646027967 388128191 /nfs/dbraw/zinc/12/81/91/388128191.db2.gz UBLLKSBWYYEBSD-VIFPVBQESA-N 0 1 225.336 2.807 20 0 BFADMN COCCN(Cc1cccc(C)c1F)C1CC1 ZINC000449012754 388128906 /nfs/dbraw/zinc/12/89/06/388128906.db2.gz GPHJBNRYFUOSHI-UHFFFAOYSA-N 0 1 237.318 2.745 20 0 BFADMN Cc1cccc(CCN2CCOCC2(C)C)c1 ZINC000449016427 388129691 /nfs/dbraw/zinc/12/96/91/388129691.db2.gz NJKPQRVNLUJIAZ-UHFFFAOYSA-N 0 1 233.355 2.648 20 0 BFADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000646050723 388133111 /nfs/dbraw/zinc/13/31/11/388133111.db2.gz MTDRAMCCFIQCDK-NEPJUHHUSA-N 0 1 239.359 2.609 20 0 BFADMN C[C@H]1C[N@@H+](C)CCN1Cc1cccc2ccoc21 ZINC000449036232 388133999 /nfs/dbraw/zinc/13/39/99/388133999.db2.gz SBUCUBDAQFCEGN-LBPRGKRZSA-N 0 1 244.338 2.569 20 0 BFADMN CC(C)=CCN[C@@H](CCO)c1ccccc1F ZINC000646068725 388136359 /nfs/dbraw/zinc/13/63/59/388136359.db2.gz ZUTDWEACLMDSGM-AWEZNQCLSA-N 0 1 237.318 2.805 20 0 BFADMN OCC1([C@H](NCCF)c2ccccc2)CC=CC1 ZINC000646081484 388138924 /nfs/dbraw/zinc/13/89/24/388138924.db2.gz GBOCPRKXRGMVHI-CQSZACIVSA-N 0 1 249.329 2.616 20 0 BFADMN C[C@H](c1ccncc1)N1C[C@@H](C)OC2(CCC2)C1 ZINC000646116241 388145062 /nfs/dbraw/zinc/14/50/62/388145062.db2.gz YKVZZPPXJUDLNF-CHWSQXEVSA-N 0 1 246.354 2.786 20 0 BFADMN C[C@@H](c1ccncc1)N1C[C@H](C)OC2(CCC2)C1 ZINC000646116244 388145106 /nfs/dbraw/zinc/14/51/06/388145106.db2.gz YKVZZPPXJUDLNF-STQMWFEESA-N 0 1 246.354 2.786 20 0 BFADMN CCc1noc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000646137806 388153003 /nfs/dbraw/zinc/15/30/03/388153003.db2.gz UPIYNKMXZHVLAK-LBPRGKRZSA-N 0 1 249.358 2.787 20 0 BFADMN Cc1noc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000646138981 388154084 /nfs/dbraw/zinc/15/40/84/388154084.db2.gz ZVEDNRQKKLCKRY-LBPRGKRZSA-N 0 1 235.331 2.533 20 0 BFADMN Cc1sccc1CNc1ccc2c(n1)CCC2 ZINC000449659056 388249652 /nfs/dbraw/zinc/24/96/52/388249652.db2.gz AKRLCVOFAKPMQW-UHFFFAOYSA-N 0 1 244.363 2.974 20 0 BFADMN CC[C@@H](CNCc1c(F)cccc1Cl)OC ZINC000336662510 388260830 /nfs/dbraw/zinc/26/08/30/388260830.db2.gz KKDOIBRAULOSQG-VIFPVBQESA-N 0 1 245.725 2.994 20 0 BFADMN CCc1ccc(CN2CC[C@H](F)C2)cc1 ZINC000449391761 388191815 /nfs/dbraw/zinc/19/18/15/388191815.db2.gz ZGXPKEODIAKEOI-ZDUSSCGKSA-N 0 1 207.292 2.793 20 0 BFADMN CCN(Cc1cc(C)ccc1C)C1COC1 ZINC000449422477 388201251 /nfs/dbraw/zinc/20/12/51/388201251.db2.gz DKDWWCAGLSZBBI-UHFFFAOYSA-N 0 1 219.328 2.524 20 0 BFADMN COc1ccc(CN2CC[C@@H]2C2CC2)cc1F ZINC000449423153 388201646 /nfs/dbraw/zinc/20/16/46/388201646.db2.gz GQVNWHOHLXMUSL-CYBMUJFWSA-N 0 1 235.302 2.819 20 0 BFADMN CCN(Cc1cc(C)c(OC)c(C)c1)C1COC1 ZINC000449427666 388202687 /nfs/dbraw/zinc/20/26/87/388202687.db2.gz SGKJVCCORSNCKK-UHFFFAOYSA-N 0 1 249.354 2.533 20 0 BFADMN COc1cc(F)cc(CN2CC[C@H]2C2CC2)c1 ZINC000449431116 388204945 /nfs/dbraw/zinc/20/49/45/388204945.db2.gz ZRHXZGVJSSGRPB-AWEZNQCLSA-N 0 1 235.302 2.819 20 0 BFADMN CCCCN1CCOc2ccc(F)cc2C1 ZINC000489166850 388205241 /nfs/dbraw/zinc/20/52/41/388205241.db2.gz IYUBEAFGBFJSIZ-UHFFFAOYSA-N 0 1 223.291 2.820 20 0 BFADMN CC/C=C\CNCc1nccn1CC(F)(F)F ZINC000449457060 388210449 /nfs/dbraw/zinc/21/04/49/388210449.db2.gz NGSJGIMUWRFDCI-ARJAWSKDSA-N 0 1 247.264 2.501 20 0 BFADMN COc1ccc(OC)c(CN(C)[C@H]2CC2(C)C)c1 ZINC000489431050 388212451 /nfs/dbraw/zinc/21/24/51/388212451.db2.gz RBKMALSUWGJGGQ-AWEZNQCLSA-N 0 1 249.354 2.934 20 0 BFADMN CC[C@@H]1C[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000449484202 388216488 /nfs/dbraw/zinc/21/64/88/388216488.db2.gz LOEAKYXEEOVNFB-BDAKNGLRSA-N 0 1 241.281 2.806 20 0 BFADMN CN(Cc1cn2ccccc2n1)[C@H]1CC1(C)C ZINC000489463406 388216589 /nfs/dbraw/zinc/21/65/89/388216589.db2.gz ZTROIHRKIKBZLJ-LBPRGKRZSA-N 0 1 229.327 2.565 20 0 BFADMN CN(Cc1cccc2c1OCCO2)[C@@H]1CC1(C)C ZINC000489499415 388218698 /nfs/dbraw/zinc/21/86/98/388218698.db2.gz QSLRGAWOLATIQJ-CYBMUJFWSA-N 0 1 247.338 2.688 20 0 BFADMN c1nc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449537728 388227008 /nfs/dbraw/zinc/22/70/08/388227008.db2.gz JVCGQMAIKMKJDB-OLZOCXBDSA-N 0 1 234.368 2.764 20 0 BFADMN Fc1cncc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449536799 388227054 /nfs/dbraw/zinc/22/70/54/388227054.db2.gz IWSBPZPBKGXEQN-HUUCEWRRSA-N 0 1 246.329 2.841 20 0 BFADMN CC[C@@H](NCc1ncc(C(C)C)s1)[C@@H](C)O ZINC000449545136 388227922 /nfs/dbraw/zinc/22/79/22/388227922.db2.gz SHYMQXRGEQIRNA-NXEZZACHSA-N 0 1 242.388 2.516 20 0 BFADMN C[C@@H](C(=O)OC(C)(C)C)N1C[C@H](C)C[C@@H](C)C1 ZINC000084221070 256564494 /nfs/dbraw/zinc/56/44/94/256564494.db2.gz FVZWYCUHXSXRHD-UTUOFQBUSA-N 0 1 241.375 2.695 20 0 BFADMN CC(C)[C@@H]1CN(Cc2nccn2C)[C@@H]1C(C)C ZINC000449553968 388231247 /nfs/dbraw/zinc/23/12/47/388231247.db2.gz NGPCNVJTDYIGPF-GXTWGEPZSA-N 0 1 235.375 2.533 20 0 BFADMN CCn1ccnc1[C@@H](C)NCC1(C(F)F)CC1 ZINC000449566202 388235142 /nfs/dbraw/zinc/23/51/42/388235142.db2.gz NFXIDWNWIKXYSO-SECBINFHSA-N 0 1 243.301 2.599 20 0 BFADMN CC/C=C/CNCc1nc2c(s1)CCC2 ZINC000648716769 388246074 /nfs/dbraw/zinc/24/60/74/388246074.db2.gz VFODJKAZQVWBOC-ONEGZZNKSA-N 0 1 222.357 2.688 20 0 BFADMN CC[C@H](F)CN1CCOCC12CCCCC2 ZINC000451815086 388298390 /nfs/dbraw/zinc/29/83/90/388298390.db2.gz LFEMBFAFVAVHFH-LBPRGKRZSA-N 0 1 229.339 2.770 20 0 BFADMN CC[C@@H](F)CN1CCOCC12CCCCC2 ZINC000451815084 388298474 /nfs/dbraw/zinc/29/84/74/388298474.db2.gz LFEMBFAFVAVHFH-GFCCVEGCSA-N 0 1 229.339 2.770 20 0 BFADMN CCOCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451842748 388299627 /nfs/dbraw/zinc/29/96/27/388299627.db2.gz RKBPNDVCUWMXOC-CYBMUJFWSA-N 0 1 235.327 2.843 20 0 BFADMN CO[C@H](C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854494 388301183 /nfs/dbraw/zinc/30/11/83/388301183.db2.gz NEDOGDLJHKZCDP-YPMHNXCESA-N 0 1 235.327 2.842 20 0 BFADMN C[C@@H](O)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451851733 388301325 /nfs/dbraw/zinc/30/13/25/388301325.db2.gz JNGLBCALBLREGT-DGCLKSJQSA-N 0 1 235.327 2.578 20 0 BFADMN C[C@@H](O)CCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451863892 388301676 /nfs/dbraw/zinc/30/16/76/388301676.db2.gz WRRLHAKSKRFVTE-TZMCWYRMSA-N 0 1 249.354 2.968 20 0 BFADMN CC(C)SCCN(C)Cc1ccccn1 ZINC000451366682 388266309 /nfs/dbraw/zinc/26/63/09/388266309.db2.gz JSAJAOVEQMXTBZ-UHFFFAOYSA-N 0 1 224.373 2.655 20 0 BFADMN CC=CC=CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000492383282 388343029 /nfs/dbraw/zinc/34/30/29/388343029.db2.gz ZKORBAADUKFBRW-ICWBMWKASA-N 0 1 241.294 2.942 20 0 BFADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000276087704 388347493 /nfs/dbraw/zinc/34/74/93/388347493.db2.gz CEBVHLRHWPGZBR-GUBZILKMSA-N 0 1 242.750 2.809 20 0 BFADMN CCS[C@@H]1CCC[C@@H]1NCc1nccs1 ZINC000233994010 388351868 /nfs/dbraw/zinc/35/18/68/388351868.db2.gz KJRQYGYZGNBGQT-VHSXEESVSA-N 0 1 242.413 2.907 20 0 BFADMN CN(CCCCO)Cc1sccc1Cl ZINC000278391592 388354871 /nfs/dbraw/zinc/35/48/71/388354871.db2.gz APFKAIJHSQFXGY-UHFFFAOYSA-N 0 1 233.764 2.606 20 0 BFADMN c1nc(CNC[C@H]2CCCCS2)cs1 ZINC000087683395 135164519 /nfs/dbraw/zinc/16/45/19/135164519.db2.gz SGSPFEZKLMMNQE-SNVBAGLBSA-N 0 1 228.386 2.518 20 0 BFADMN CC(C)=CCN[C@H](C)c1ccc(F)cn1 ZINC000235214293 388366162 /nfs/dbraw/zinc/36/61/62/388366162.db2.gz CCBMNNNIPCABMC-SNVBAGLBSA-N 0 1 208.280 2.838 20 0 BFADMN CC[C@@H](C)[N@@H+](CCC1CCCC1)CC(=O)[O-] ZINC000236864629 388384698 /nfs/dbraw/zinc/38/46/98/388384698.db2.gz RLXSSGADSRUFFX-LLVKDONJSA-N 0 1 227.348 2.752 20 0 BFADMN CC1(C)C[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000293673536 388390482 /nfs/dbraw/zinc/39/04/82/388390482.db2.gz UYZCKWMSMMQZCV-JTQLQIEISA-N 0 1 225.719 2.934 20 0 BFADMN CC[C@](C)(CN[C@@H](C)c1nccs1)OC ZINC000322644748 388443044 /nfs/dbraw/zinc/44/30/44/388443044.db2.gz VGCJAYNPNBNRJJ-GXSJLCMTSA-N 0 1 228.361 2.609 20 0 BFADMN Cc1nc([C@H](C)N[C@H](C)c2ccc(C)cc2)n[nH]1 ZINC000331298538 388444411 /nfs/dbraw/zinc/44/44/11/388444411.db2.gz BAJIFHNUXHGRJD-MNOVXSKESA-N 0 1 244.342 2.833 20 0 BFADMN Cc1nc([C@@H](C)N[C@H](C)c2ccc(C)cc2)n[nH]1 ZINC000331298537 388444457 /nfs/dbraw/zinc/44/44/57/388444457.db2.gz BAJIFHNUXHGRJD-GHMZBOCLSA-N 0 1 244.342 2.833 20 0 BFADMN CCOc1cc(C)ccc1CNCC1(F)CC1 ZINC000525989158 388452666 /nfs/dbraw/zinc/45/26/66/388452666.db2.gz PBQSKICYSOXPNX-UHFFFAOYSA-N 0 1 237.318 2.985 20 0 BFADMN C[C@@H](Cc1ccsc1)N1CCOCC1(C)C ZINC000525999789 388454163 /nfs/dbraw/zinc/45/41/63/388454163.db2.gz SQTDPVSZTUDPRM-NSHDSACASA-N 0 1 239.384 2.790 20 0 BFADMN Cc1cc(C(=O)N2CCCC[C@H]2C2CCC2)n[nH]1 ZINC000649197872 388455418 /nfs/dbraw/zinc/45/54/18/388455418.db2.gz WRXBGMNELYDYDE-ZDUSSCGKSA-N 0 1 247.342 2.513 20 0 BFADMN CCC[C@H](CC)NC(=O)c1[nH]nc2c1CCCC2 ZINC000195146266 388461047 /nfs/dbraw/zinc/46/10/47/388461047.db2.gz QRKOLJZASBSZIC-JTQLQIEISA-N 0 1 249.358 2.597 20 0 BFADMN c1nnsc1CN(C1CC1)C1CCCCC1 ZINC000649247182 388467805 /nfs/dbraw/zinc/46/78/05/388467805.db2.gz UOQDEAUZVHRJFM-UHFFFAOYSA-N 0 1 237.372 2.835 20 0 BFADMN CC[C@@H](CC(F)(F)F)NCc1n[nH]cc1C ZINC000336722005 388468907 /nfs/dbraw/zinc/46/89/07/388468907.db2.gz DQYDOKSPWCXQPW-QMMMGPOBSA-N 0 1 235.253 2.539 20 0 BFADMN Cc1nccc(N[C@@H]2CSC2(C)C)c1Cl ZINC000336725314 388469956 /nfs/dbraw/zinc/46/99/56/388469956.db2.gz GDXPCRFXPPCGCW-SECBINFHSA-N 0 1 242.775 2.771 20 0 BFADMN CCSCCCNc1cccc(C)n1 ZINC000134758423 388479548 /nfs/dbraw/zinc/47/95/48/388479548.db2.gz DUBUJFBXWSWHEB-UHFFFAOYSA-N 0 1 210.346 2.945 20 0 BFADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(C)no1 ZINC000525328542 388426482 /nfs/dbraw/zinc/42/64/82/388426482.db2.gz FDQQMHMYWZPFRW-ZYHUDNBSSA-N 0 1 237.347 2.779 20 0 BFADMN CC1(C)CC(CN2CCOC[C@H]2CC(F)F)C1 ZINC000528505495 388537383 /nfs/dbraw/zinc/53/73/83/388537383.db2.gz PHBKHFIYKPBZDV-LLVKDONJSA-N 0 1 247.329 2.779 20 0 BFADMN CC1(C)CC(CN2CCOC[C@@H]2CC(F)F)C1 ZINC000528505496 388537493 /nfs/dbraw/zinc/53/74/93/388537493.db2.gz PHBKHFIYKPBZDV-NSHDSACASA-N 0 1 247.329 2.779 20 0 BFADMN CCn1cc([C@H](C)NC/C=C(\C)Cl)cn1 ZINC000528521389 388542244 /nfs/dbraw/zinc/54/22/44/388542244.db2.gz SPVUULACWYFAHR-CYNRKNSPSA-N 0 1 227.739 2.696 20 0 BFADMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(C2CC2)o1 ZINC000548502885 388545659 /nfs/dbraw/zinc/54/56/59/388545659.db2.gz FJYRRUYRPYSMDN-GXSJLCMTSA-N 0 1 235.331 2.567 20 0 BFADMN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000339369264 388483069 /nfs/dbraw/zinc/48/30/69/388483069.db2.gz DLDRDYFDVJLNKS-BDAKNGLRSA-N 0 1 243.734 2.559 20 0 BFADMN C[C@H](F)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000339485604 388483608 /nfs/dbraw/zinc/48/36/08/388483608.db2.gz QHAOWPPXBJYTCG-QMMMGPOBSA-N 0 1 231.698 2.883 20 0 BFADMN C[C@H]1CCCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000547836220 388491460 /nfs/dbraw/zinc/49/14/60/388491460.db2.gz PFHUIGTWNWATTA-JTQLQIEISA-N 0 1 235.331 2.569 20 0 BFADMN C[C@H]1CCCCN(Cc2nnc(C3CC3)o2)C1 ZINC000547836220 388491464 /nfs/dbraw/zinc/49/14/64/388491464.db2.gz PFHUIGTWNWATTA-JTQLQIEISA-N 0 1 235.331 2.569 20 0 BFADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccnc1 ZINC000340532669 388492953 /nfs/dbraw/zinc/49/29/53/388492953.db2.gz SDOCZQLPJXYXEX-ZMLRMANQSA-N 0 1 208.280 2.623 20 0 BFADMN Cc1cncc([C@@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000378746984 388493676 /nfs/dbraw/zinc/49/36/76/388493676.db2.gz IVBFZTTUXLCOMP-RTXFEEFZSA-N 0 1 222.307 2.931 20 0 BFADMN CSC[C@@H]1CCCN1Cc1csc(C)n1 ZINC000135475948 388497564 /nfs/dbraw/zinc/49/75/64/388497564.db2.gz WWFFLSAEPCSGLC-NSHDSACASA-N 0 1 242.413 2.779 20 0 BFADMN Cc1nccc(N[C@H]2CS[C@@H](C)C2)c1Cl ZINC000397889350 388509122 /nfs/dbraw/zinc/50/91/22/388509122.db2.gz OYJVPYKCYWNYST-IONNQARKSA-N 0 1 242.775 2.771 20 0 BFADMN CCC(=O)CCCN(CC)Cc1ccoc1 ZINC000649280522 388513602 /nfs/dbraw/zinc/51/36/02/388513602.db2.gz IYHWCZMCOWQCLZ-UHFFFAOYSA-N 0 1 223.316 2.861 20 0 BFADMN Cc1ncc(CNCc2cccc(C)c2C)o1 ZINC000397989423 388514237 /nfs/dbraw/zinc/51/42/37/388514237.db2.gz OXSRGAXEUTZUJQ-UHFFFAOYSA-N 0 1 230.311 2.890 20 0 BFADMN Cc1ccc(CNCc2cnc(C)o2)s1 ZINC000398042717 388515673 /nfs/dbraw/zinc/51/56/73/388515673.db2.gz ZMOVGTKRFVTPCK-UHFFFAOYSA-N 0 1 222.313 2.643 20 0 BFADMN Cc1ncc(CN[C@@H](C)c2ccccc2)o1 ZINC000398053834 388517100 /nfs/dbraw/zinc/51/71/00/388517100.db2.gz GVUZDRZTEODGAR-JTQLQIEISA-N 0 1 216.284 2.834 20 0 BFADMN CC[C@@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528401599 388520110 /nfs/dbraw/zinc/52/01/10/388520110.db2.gz XNCVVRFLMDQAHH-SNVBAGLBSA-N 0 1 224.735 2.967 20 0 BFADMN CC[C@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528401598 388520157 /nfs/dbraw/zinc/52/01/57/388520157.db2.gz XNCVVRFLMDQAHH-JTQLQIEISA-N 0 1 224.735 2.967 20 0 BFADMN Clc1cccnc1CNC1(C2CC2)CC1 ZINC000528443289 388526294 /nfs/dbraw/zinc/52/62/94/388526294.db2.gz WYCPAJGXKLQKMB-UHFFFAOYSA-N 0 1 222.719 2.767 20 0 BFADMN Cc1cc(C(=O)CN(C)[C@H](C)C2(C)CC2)c(C)[nH]1 ZINC000348166345 388527019 /nfs/dbraw/zinc/52/70/19/388527019.db2.gz KMGACUQEECVBLS-GFCCVEGCSA-N 0 1 248.370 2.935 20 0 BFADMN Fc1ccc(F)c(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000348236947 388527271 /nfs/dbraw/zinc/52/72/71/388527271.db2.gz YMAFADRDJWIKHS-WPRPVWTQSA-N 0 1 233.208 2.708 20 0 BFADMN CC(C)n1cc(CN(C)[C@@H](C)C(C)(C)C)nn1 ZINC000516996276 388531351 /nfs/dbraw/zinc/53/13/51/388531351.db2.gz MWYCJLMLBVGZPV-NSHDSACASA-N 0 1 238.379 2.725 20 0 BFADMN Cc1nc(CN(C)CC2CCC2)sc1C ZINC000088599283 388533720 /nfs/dbraw/zinc/53/37/20/388533720.db2.gz XXIKTSNJCHVLHK-UHFFFAOYSA-N 0 1 224.373 2.992 20 0 BFADMN COc1cccc([C@@H](C)[N@H+]2CCC[C@H](OC)C2)c1 ZINC000079412498 388534120 /nfs/dbraw/zinc/53/41/20/388534120.db2.gz QXEQFOJRJRNYGK-DOMZBBRYSA-N 0 1 249.354 2.867 20 0 BFADMN C[C@H](CN(C)C(=O)c1ccn[nH]1)C1CCCCC1 ZINC000530039951 388605440 /nfs/dbraw/zinc/60/54/40/388605440.db2.gz NDGCAAOQOGITGV-LLVKDONJSA-N 0 1 249.358 2.698 20 0 BFADMN C(c1nnc(C2CC2)o1)N1CC[C@H](CC2CC2)C1 ZINC000550422866 388608719 /nfs/dbraw/zinc/60/87/19/388608719.db2.gz RSULTQAGFINKHQ-LLVKDONJSA-N 0 1 247.342 2.569 20 0 BFADMN CC[C@]1(C)CCC[N@@H+](Cc2ncccc2[O-])C1 ZINC000521512143 388613080 /nfs/dbraw/zinc/61/30/80/388613080.db2.gz KLYAZQUHZWBKRN-CQSZACIVSA-N 0 1 234.343 2.799 20 0 BFADMN CC/C=C/CC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165918 388618306 /nfs/dbraw/zinc/61/83/06/388618306.db2.gz KCWDQEWFZVGRLB-OOPCZODUSA-N 0 1 249.310 2.620 20 0 BFADMN Cc1ncc(CNC2(c3ccccc3)CC2)n1C ZINC000517588946 388555477 /nfs/dbraw/zinc/55/54/77/388555477.db2.gz UDAHHOCGCCTYID-UHFFFAOYSA-N 0 1 241.338 2.507 20 0 BFADMN COC(=O)c1ccc([C@@H](C)N2[C@H](C)C[C@@H]2C)o1 ZINC000548754002 388557774 /nfs/dbraw/zinc/55/77/74/388557774.db2.gz DYUKTVJIIKIWSI-KXUCPTDWSA-N 0 1 237.299 2.610 20 0 BFADMN CCN1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000137680720 388565399 /nfs/dbraw/zinc/56/53/99/388565399.db2.gz ONWMFFYNTXUATK-JSGCOSHPSA-N 0 1 248.370 2.541 20 0 BFADMN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccoc1 ZINC000548883549 388567862 /nfs/dbraw/zinc/56/78/62/388567862.db2.gz YSJDAGRDFBZZCP-GWCFXTLKSA-N 0 1 245.326 2.741 20 0 BFADMN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000581100820 388571112 /nfs/dbraw/zinc/57/11/12/388571112.db2.gz YHLBIVVTZZKGFE-MNOVXSKESA-N 0 1 220.316 2.550 20 0 BFADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000581100820 388571114 /nfs/dbraw/zinc/57/11/14/388571114.db2.gz YHLBIVVTZZKGFE-MNOVXSKESA-N 0 1 220.316 2.550 20 0 BFADMN CC[C@@H](C)C[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185234575 388585933 /nfs/dbraw/zinc/58/59/33/388585933.db2.gz JTWIPZMWNNBYNG-MLGOLLRUSA-N 0 1 245.432 2.656 20 0 BFADMN CC[C@H](C)CN(C)[C@H](C)c1nc(C2CC2)no1 ZINC000247481402 388665168 /nfs/dbraw/zinc/66/51/68/388665168.db2.gz FPUJBKQTGMRPRJ-VHSXEESVSA-N 0 1 237.347 2.986 20 0 BFADMN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)no1 ZINC000247558535 388666574 /nfs/dbraw/zinc/66/65/74/388666574.db2.gz QOEFNSDQWUECLY-USWWRNFRSA-N 0 1 235.331 2.531 20 0 BFADMN CCC[C@@H]1CN([C@@H]2C=CCCC2)CCO1 ZINC000248138186 388673874 /nfs/dbraw/zinc/67/38/74/388673874.db2.gz XYOFKSVPIZBNHY-CHWSQXEVSA-N 0 1 209.333 2.596 20 0 BFADMN CCc1cccc(OCC[N@@H+](C)C2CC2)c1 ZINC000192649600 388681089 /nfs/dbraw/zinc/68/10/89/388681089.db2.gz WZKONOFADDUGCC-UHFFFAOYSA-N 0 1 219.328 2.722 20 0 BFADMN C[N@@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000192650212 388681662 /nfs/dbraw/zinc/68/16/62/388681662.db2.gz ROJJTMIBXLEPSQ-UHFFFAOYSA-N 0 1 227.254 2.882 20 0 BFADMN CC/C=C/CC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165917 388618528 /nfs/dbraw/zinc/61/85/28/388618528.db2.gz KCWDQEWFZVGRLB-ITDFMYJTSA-N 0 1 249.310 2.620 20 0 BFADMN CC[C@H](C)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530175478 388620053 /nfs/dbraw/zinc/62/00/53/388620053.db2.gz HGOIFAUNRUIPPI-YFKTTZPYSA-N 0 1 227.348 2.606 20 0 BFADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCC(C)(C)C ZINC000530173223 388620831 /nfs/dbraw/zinc/62/08/31/388620831.db2.gz OCQJGQSXPVVFAY-ZSBIGDGJSA-N 0 1 241.375 2.996 20 0 BFADMN CC[C@@H](C)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530175477 388620843 /nfs/dbraw/zinc/62/08/43/388620843.db2.gz HGOIFAUNRUIPPI-WISYIIOYSA-N 0 1 227.348 2.606 20 0 BFADMN CCCCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530175136 388620922 /nfs/dbraw/zinc/62/09/22/388620922.db2.gz FHGZTLXKGNFANR-ZSBIGDGJSA-N 0 1 227.348 2.750 20 0 BFADMN CCOc1ccc(CN[C@H](C)CF)cc1F ZINC000288464946 388626685 /nfs/dbraw/zinc/62/66/85/388626685.db2.gz OIEJONBSNUNSPK-SECBINFHSA-N 0 1 229.270 2.672 20 0 BFADMN CC[C@H](N[C@H](C)c1nccs1)[C@H]1CCCO1 ZINC000246384996 388634893 /nfs/dbraw/zinc/63/48/93/388634893.db2.gz KHWQTULXHHZAKD-OUAUKWLOSA-N 0 1 240.372 2.751 20 0 BFADMN CCc1nnc(CN2CC[C@H](C)C[C@@H](C)C2)o1 ZINC000246602265 388645398 /nfs/dbraw/zinc/64/53/98/388645398.db2.gz HIJLTFOLOXTQSZ-WDEREUQCSA-N 0 1 237.347 2.500 20 0 BFADMN CC1(C)CC(Nc2ccc3nn[nH]c3c2)C1 ZINC000328606142 388645552 /nfs/dbraw/zinc/64/55/52/388645552.db2.gz KEIGTKNLNZSOKT-UHFFFAOYSA-N 0 1 216.288 2.558 20 0 BFADMN CC1(C)CC(Nc2ccc3n[nH]nc3c2)C1 ZINC000328606142 388645554 /nfs/dbraw/zinc/64/55/54/388645554.db2.gz KEIGTKNLNZSOKT-UHFFFAOYSA-N 0 1 216.288 2.558 20 0 BFADMN COC(C)(C)CCOc1cc(C)nc(C)c1 ZINC000530325521 388649841 /nfs/dbraw/zinc/64/98/41/388649841.db2.gz RYOWFNCLYQMBEW-UHFFFAOYSA-N 0 1 223.316 2.892 20 0 BFADMN CC/C=C/CCN([C@H](C)C(=O)OCC)C1CC1 ZINC000190843877 388656933 /nfs/dbraw/zinc/65/69/33/388656933.db2.gz RMZUQZJWKJRVHX-NNNHXZLVSA-N 0 1 239.359 2.759 20 0 BFADMN CC[C@@H](NCc1ccn(C)c1)c1c(C)noc1C ZINC000127997737 388735073 /nfs/dbraw/zinc/73/50/73/388735073.db2.gz GPRLYLPLNXNBFK-CYBMUJFWSA-N 0 1 247.342 2.871 20 0 BFADMN CCCN(CC(=O)OC(C)(C)C)CC(C)C ZINC000194546023 388735105 /nfs/dbraw/zinc/73/51/05/388735105.db2.gz NQJXZQMVRBUUMP-UHFFFAOYSA-N 0 1 229.364 2.696 20 0 BFADMN O=C([O-])CCCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000227169777 388743781 /nfs/dbraw/zinc/74/37/81/388743781.db2.gz OYXSWDUBOJWOGC-NEPJUHHUSA-N 0 1 225.332 2.506 20 0 BFADMN CCNC(=O)C[N@@H+](CC)[C@H](C)c1ccccc1C ZINC000128268915 388743859 /nfs/dbraw/zinc/74/38/59/388743859.db2.gz WPFXBGJZXBPMAM-CYBMUJFWSA-N 0 1 248.370 2.514 20 0 BFADMN CCNC(=O)CN(CC)[C@H](C)c1ccccc1C ZINC000128268915 388743861 /nfs/dbraw/zinc/74/38/61/388743861.db2.gz WPFXBGJZXBPMAM-CYBMUJFWSA-N 0 1 248.370 2.514 20 0 BFADMN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000248736132 388691641 /nfs/dbraw/zinc/69/16/41/388691641.db2.gz KUEKKCZJGHBKKU-JMJZKYOTSA-N 0 1 237.347 2.576 20 0 BFADMN C[C@H](NCc1cnn2ccccc12)c1ccoc1 ZINC000552321561 388692807 /nfs/dbraw/zinc/69/28/07/388692807.db2.gz WWVPDRAHRGWOTP-NSHDSACASA-N 0 1 241.294 2.778 20 0 BFADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)n1 ZINC000248777340 388693020 /nfs/dbraw/zinc/69/30/20/388693020.db2.gz UNDNPBBETHEBMC-USWWRNFRSA-N 0 1 249.358 2.720 20 0 BFADMN Cc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000127052343 388711583 /nfs/dbraw/zinc/71/15/83/388711583.db2.gz OXIKKGAVYDDMRP-BETUJISGSA-N 0 1 233.355 2.913 20 0 BFADMN Cn1ccc(CN2CCc3ccsc3C2)c1 ZINC000127058985 388713814 /nfs/dbraw/zinc/71/38/14/388713814.db2.gz NQCDDGFGRAVSMF-UHFFFAOYSA-N 0 1 232.352 2.645 20 0 BFADMN C[C@H]1CCN(Cc2nnc(C3CC3)o2)C[C@H](C)C1 ZINC000127205008 388717482 /nfs/dbraw/zinc/71/74/82/388717482.db2.gz LZBVWWACIVJEGP-WDEREUQCSA-N 0 1 249.358 2.815 20 0 BFADMN CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000194088157 388723248 /nfs/dbraw/zinc/72/32/48/388723248.db2.gz MOBOGSAUKBGGON-BETUJISGSA-N 0 1 240.391 2.506 20 0 BFADMN CCCC[N@@H+](CCO)Cc1cc(C)sc1C ZINC000194382895 388730829 /nfs/dbraw/zinc/73/08/29/388730829.db2.gz QRZXUGLPJOMQBR-UHFFFAOYSA-N 0 1 241.400 2.959 20 0 BFADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccoc2)n[nH]1 ZINC000540147356 388796510 /nfs/dbraw/zinc/79/65/10/388796510.db2.gz RMLZPNSSEMEPIM-NXEZZACHSA-N 0 1 248.330 2.933 20 0 BFADMN CC(C)C[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830284 388759417 /nfs/dbraw/zinc/75/94/17/388759417.db2.gz XWQOVSOKVPOHAT-YPMHNXCESA-N 0 1 227.348 2.608 20 0 BFADMN CC[C@H](C)C[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000128572459 388772185 /nfs/dbraw/zinc/77/21/85/388772185.db2.gz NIXNKAQLRJFVCW-LBPRGKRZSA-N 0 1 249.354 2.905 20 0 BFADMN c1csc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC000648762011 388844462 /nfs/dbraw/zinc/84/44/62/388844462.db2.gz GLFPMJMTUROTME-WCQYABFASA-N 0 1 234.368 2.764 20 0 BFADMN C[C@H](Cc1ccsc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000541205906 388845054 /nfs/dbraw/zinc/84/50/54/388845054.db2.gz BJGFLPRGJJJXHC-UTUOFQBUSA-N 0 1 239.384 2.788 20 0 BFADMN 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20 0 BFADMN Fc1ccc(CN2CC(C3CCCC3)C2)nc1 ZINC000529605291 324361740 /nfs/dbraw/zinc/36/17/40/324361740.db2.gz VOZAHFXMLNXYEJ-UHFFFAOYSA-N 0 1 234.318 2.843 20 0 BFADMN Cc1cc(OCC[C@@H]2CCCO2)cc(C)n1 ZINC000530325511 324581113 /nfs/dbraw/zinc/58/11/13/324581113.db2.gz KUXCVADJEDSIER-LBPRGKRZSA-N 0 1 221.300 2.646 20 0 BFADMN COc1cccc(F)c1[C@@H](C)NCCSC ZINC000125229097 324635704 /nfs/dbraw/zinc/63/57/04/324635704.db2.gz NTPSZFXHGCSNDA-SECBINFHSA-N 0 1 243.347 2.848 20 0 BFADMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1nccs1 ZINC000070732241 325026996 /nfs/dbraw/zinc/02/69/96/325026996.db2.gz WPAAIXHGUKLILY-VWYCJHECSA-N 0 1 240.372 2.751 20 0 BFADMN CC[C@@H](NCc1ccccc1)c1ccn(C)n1 ZINC000542674163 325041380 /nfs/dbraw/zinc/04/13/80/325041380.db2.gz UYYZVGVGUUCXEJ-CYBMUJFWSA-N 0 1 229.327 2.661 20 0 BFADMN CC[C@H]1COCCN1[C@@H](C)Cc1ccsc1 ZINC000543081412 325070537 /nfs/dbraw/zinc/07/05/37/325070537.db2.gz WGPRZOWOILLQFD-AAEUAGOBSA-N 0 1 239.384 2.790 20 0 BFADMN CC[C@@H](NCc1cccc(C)c1)c1ccn(C)n1 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/nfs/dbraw/zinc/30/43/19/326304319.db2.gz BLPNHMJJHQODBL-VXGBXAGGSA-N 0 1 241.375 2.998 20 0 BFADMN C[C@H](CCC1CCCC1)NCc1ncccn1 ZINC000568276041 326339990 /nfs/dbraw/zinc/33/99/90/326339990.db2.gz DSPLDQJFYKBKEM-GFCCVEGCSA-N 0 1 233.359 2.925 20 0 BFADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1CCC(=O)[O-] ZINC000568342626 326345668 /nfs/dbraw/zinc/34/56/68/326345668.db2.gz KPOLKGPWEKWTIS-OAHLLOKOSA-N 0 1 247.338 2.558 20 0 BFADMN CC[C@H](F)CN1CC[C@H](c2cc(C)ccn2)C1 ZINC000568660035 326371709 /nfs/dbraw/zinc/37/17/09/326371709.db2.gz QQAUHMYGQJPVNQ-STQMWFEESA-N 0 1 236.334 2.927 20 0 BFADMN NC1(c2noc(C=C3CCCC3)n2)CCCC1 ZINC000568999322 326385768 /nfs/dbraw/zinc/38/57/68/326385768.db2.gz AWDPIAXUOHRUAM-UHFFFAOYSA-N 0 1 233.315 2.755 20 0 BFADMN COc1ccc(F)c(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000569088647 326389266 /nfs/dbraw/zinc/38/92/66/326389266.db2.gz JJQINXTZSNCLBZ-UWVGGRQHSA-N 0 1 223.291 2.817 20 0 BFADMN Cc1nc(CNC[C@@H]2CCCC2(F)F)[nH]c1C ZINC000569141007 326392899 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2.770 20 0 BFADMN F[C@@H]1CCCN(C[C@H]2CCCC3(CCC3)O2)C1 ZINC000902991295 584709369 /nfs/dbraw/zinc/70/93/69/584709369.db2.gz NOOIFUHGGCRNQL-CHWSQXEVSA-N 0 1 241.350 2.912 20 0 BFADMN F[C@@H]1CCCN(CCCOc2ccccc2)C1 ZINC000902997935 584714093 /nfs/dbraw/zinc/71/40/93/584714093.db2.gz CAJACOLLCLFBJD-CYBMUJFWSA-N 0 1 237.318 2.889 20 0 BFADMN F[C@H]1CCCN(CCc2cccs2)C1 ZINC000902998184 584714876 /nfs/dbraw/zinc/71/48/76/584714876.db2.gz HTRKZQROEPVGRD-JTQLQIEISA-N 0 1 213.321 2.725 20 0 BFADMN c1[nH]nc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000903088110 584725287 /nfs/dbraw/zinc/72/52/87/584725287.db2.gz JHJCWBBVSCLZMF-DOERSZECSA-N 0 1 245.370 2.955 20 0 BFADMN CC(C)(F)CN[C@H](c1ccccn1)C1CC1 ZINC000903210020 584737107 /nfs/dbraw/zinc/73/71/07/584737107.db2.gz SVYTWHSFLIFORS-LBPRGKRZSA-N 0 1 222.307 2.870 20 0 BFADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000903310460 584748174 /nfs/dbraw/zinc/74/81/74/584748174.db2.gz JNGAAFLROWFVOW-APPZFPTMSA-N 0 1 236.344 2.586 20 0 BFADMN CCCCC1(N[C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000903312767 584748199 /nfs/dbraw/zinc/74/81/99/584748199.db2.gz BMQFBCBJWGFKJR-WDEREUQCSA-N 0 1 234.347 2.596 20 0 BFADMN CCCCC1(N[C@H](C)c2nonc2C)CC1 ZINC000903313228 584748650 /nfs/dbraw/zinc/74/86/50/584748650.db2.gz LGLBGCGGHYPHAA-SECBINFHSA-N 0 1 223.320 2.751 20 0 BFADMN CC[C@H](C)CN(C)Cc1cc(Cl)n(C)n1 ZINC000859137147 589007746 /nfs/dbraw/zinc/00/77/46/589007746.db2.gz YMLUUHIOPXXJEA-VIFPVBQESA-N 0 1 229.755 2.551 20 0 BFADMN Cc1cccc2c1[C@H](NCc1cn(C)cn1)CC2 ZINC000903350365 584754916 /nfs/dbraw/zinc/75/49/16/584754916.db2.gz BAWZJBUAYJMUJT-CQSZACIVSA-N 0 1 241.338 2.506 20 0 BFADMN CCc1ccc([C@H](C)NCc2cn(C)cn2)s1 ZINC000903351257 584755594 /nfs/dbraw/zinc/75/55/94/584755594.db2.gz JBLHCSHTELZUFV-JTQLQIEISA-N 0 1 249.383 2.895 20 0 BFADMN CC[C@H](NC/C=C\Cl)c1cccc(OC)n1 ZINC000903446281 584769954 /nfs/dbraw/zinc/76/99/54/584769954.db2.gz XJYQYXJTODRWQT-NVDWLVSRSA-N 0 1 240.734 2.883 20 0 BFADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCCC(F)(F)CC1 ZINC000903606573 584784299 /nfs/dbraw/zinc/78/42/99/584784299.db2.gz LAJNLZOJMXGMIB-ZJUUUORDSA-N 0 1 249.301 2.607 20 0 BFADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)o1 ZINC000903592231 584784989 /nfs/dbraw/zinc/78/49/89/584784989.db2.gz ZFLUOWMPAAANBL-BXKDBHETSA-N 0 1 239.315 2.519 20 0 BFADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C ZINC000903591855 584785121 /nfs/dbraw/zinc/78/51/21/584785121.db2.gz UOVSVHXKIMHPEO-FZMZJTMJSA-N 0 1 249.354 2.926 20 0 BFADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](CC(C)C)C1 ZINC000903598158 584786267 /nfs/dbraw/zinc/78/62/67/584786267.db2.gz RZZLPJSLCNETIE-YNEHKIRRSA-N 0 1 241.375 2.854 20 0 BFADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CC)C1 ZINC000903597256 584786330 /nfs/dbraw/zinc/78/63/30/584786330.db2.gz KUXGORLSRFSMHW-OBJOEFQTSA-N 0 1 241.375 2.998 20 0 BFADMN CCCCC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903619293 584787450 /nfs/dbraw/zinc/78/74/50/584787450.db2.gz VSKNYTOSYKCUCW-UHFFFAOYSA-N 0 1 247.338 2.933 20 0 BFADMN CC(C)C[N@@H+](CCC1CC1)CC(C)(C)C(=O)[O-] ZINC000903623179 584787580 /nfs/dbraw/zinc/78/75/80/584787580.db2.gz UPOFDEURVKMJMY-UHFFFAOYSA-N 0 1 241.375 2.855 20 0 BFADMN O=C([O-])C1(CC[N@H+]2CCC3(CCC3)C2)CCC1 ZINC000903695860 584789969 /nfs/dbraw/zinc/78/99/69/584789969.db2.gz LAIZGDWWNGTFCD-UHFFFAOYSA-N 0 1 237.343 2.507 20 0 BFADMN CC(C)C[N@@H+](CCC1(C(=O)[O-])CCC1)C1CC1 ZINC000903697663 584790002 /nfs/dbraw/zinc/79/00/02/584790002.db2.gz WFJWNBYPYDXDLL-UHFFFAOYSA-N 0 1 239.359 2.752 20 0 BFADMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCC1 ZINC000903696064 584790266 /nfs/dbraw/zinc/79/02/66/584790266.db2.gz QXODOEWPEBRKPT-UHFFFAOYSA-N 0 1 239.359 2.894 20 0 BFADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H](C)C(C)C ZINC000903696720 584790279 /nfs/dbraw/zinc/79/02/79/584790279.db2.gz MRDNJSBEMYWFFZ-GFCCVEGCSA-N 0 1 241.375 2.998 20 0 BFADMN C[C@H]([N@@H+](C)CCC1(C(=O)[O-])CCC1)C1(C)CC1 ZINC000903695749 584790354 /nfs/dbraw/zinc/79/03/54/584790354.db2.gz HVXNQSJBNYMSAG-NSHDSACASA-N 0 1 239.359 2.752 20 0 BFADMN CC1CC(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000903702523 584790476 /nfs/dbraw/zinc/79/04/76/584790476.db2.gz XABJPAFZHQIRLN-WXRRBKDZSA-N 0 1 239.359 2.752 20 0 BFADMN CC1CC(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000903702579 584790567 /nfs/dbraw/zinc/79/05/67/584790567.db2.gz YFAIJGPMYURGHQ-CPCZMJQVSA-N 0 1 239.359 2.609 20 0 BFADMN CC[C@H]1CC[C@H](C)[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903701888 584790765 /nfs/dbraw/zinc/79/07/65/584790765.db2.gz VQNQPVKYVTZMEO-RYUDHWBXSA-N 0 1 239.359 2.894 20 0 BFADMN Cc1cccc(C)c1C[N@H+](C)[C@@H](C(=O)[O-])C1CC1 ZINC000903707556 584791323 /nfs/dbraw/zinc/79/13/23/584791323.db2.gz CGXLYIJGCQTNOI-CQSZACIVSA-N 0 1 247.338 2.598 20 0 BFADMN CC(C)C[N@@H+](C)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903889665 584813802 /nfs/dbraw/zinc/81/38/02/584813802.db2.gz OJKCDZGCOKZQPD-AWEZNQCLSA-N 0 1 249.354 2.660 20 0 BFADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903897902 584819796 /nfs/dbraw/zinc/81/97/96/584819796.db2.gz KVPORCNGVLWHQN-YVECIDJPSA-N 0 1 239.359 2.608 20 0 BFADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903899558 584820486 /nfs/dbraw/zinc/82/04/86/584820486.db2.gz YJELTLMSVNXQMS-RVMXOQNASA-N 0 1 239.359 2.608 20 0 BFADMN CC1CC(C[N@@H+](CC(=O)[O-])C2CCCCC2)C1 ZINC000903902188 584820696 /nfs/dbraw/zinc/82/06/96/584820696.db2.gz WIVWTHKUBKNBNO-UHFFFAOYSA-N 0 1 239.359 2.752 20 0 BFADMN CCC(CC)CCC[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903910435 584821474 /nfs/dbraw/zinc/82/14/74/584821474.db2.gz UTQXYJXSNUYAAJ-QWHCGFSZSA-N 0 1 241.375 2.855 20 0 BFADMN CC(C)=CC[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903949084 584830168 /nfs/dbraw/zinc/83/01/68/584830168.db2.gz JLIYJNWUPZRSPD-QNWHQSFQSA-N 0 1 239.359 2.772 20 0 BFADMN CC(C)CC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903949363 584830446 /nfs/dbraw/zinc/83/04/46/584830446.db2.gz MBQHZMLGDJDSKZ-UMSGYPCISA-N 0 1 241.375 2.852 20 0 BFADMN CC[C@@H]1CCC[C@]1(C)c1nc([C@H]2CCCN2)no1 ZINC000904075355 584839834 /nfs/dbraw/zinc/83/98/34/584839834.db2.gz JDARTFGIFRZRNV-GYSYKLTISA-N 0 1 249.358 2.962 20 0 BFADMN CN[C@@H](CC(C)C)c1nc(-c2ccoc2C)no1 ZINC000904117883 584842471 /nfs/dbraw/zinc/84/24/71/584842471.db2.gz AXEQYFVHMPAJKL-NSHDSACASA-N 0 1 249.314 2.945 20 0 BFADMN Cc1ccc(CN2CCOC[C@H](C)C2)c(F)c1 ZINC000876752208 584886964 /nfs/dbraw/zinc/88/69/64/584886964.db2.gz JJTPRKGEIYQZFO-GFCCVEGCSA-N 0 1 237.318 2.602 20 0 BFADMN CCC[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000737801265 584896469 /nfs/dbraw/zinc/89/64/69/584896469.db2.gz SZLSOGQGVPHDGZ-SMDDNHRTSA-N 0 1 247.338 2.859 20 0 BFADMN CC[C@H](C(=O)O[C@@H]1C=CCCC1)N(CC)CC ZINC000741033817 584905038 /nfs/dbraw/zinc/90/50/38/584905038.db2.gz YOEZOVSVYAAPPA-CHWSQXEVSA-N 0 1 239.359 2.759 20 0 BFADMN COCc1cc(CNCc2ccoc2)ccc1F ZINC000730817933 584916860 /nfs/dbraw/zinc/91/68/60/584916860.db2.gz DVVQINJTOLAUSG-UHFFFAOYSA-N 0 1 249.285 2.855 20 0 BFADMN c1csc(-c2ccn(CN3CCCC3)n2)c1 ZINC000731658239 584928000 /nfs/dbraw/zinc/92/80/00/584928000.db2.gz HGLRCLGBTGABPQ-UHFFFAOYSA-N 0 1 233.340 2.665 20 0 BFADMN C[C@@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000731660428 584928202 /nfs/dbraw/zinc/92/82/02/584928202.db2.gz WRIUUZGGTWRDHV-LLVKDONJSA-N 0 1 247.367 2.911 20 0 BFADMN C[C@@H]1CCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000731660428 584928203 /nfs/dbraw/zinc/92/82/03/584928203.db2.gz WRIUUZGGTWRDHV-LLVKDONJSA-N 0 1 247.367 2.911 20 0 BFADMN Cc1cccn2c(CN3CC(C(C)C)C3)cnc12 ZINC000684409253 584945753 /nfs/dbraw/zinc/94/57/53/584945753.db2.gz SZRDXLGHWGCEFV-UHFFFAOYSA-N 0 1 243.354 2.731 20 0 BFADMN CC(C)c1cnc(CN2CC[C@@H](C)C2)o1 ZINC000733309763 584946821 /nfs/dbraw/zinc/94/68/21/584946821.db2.gz YMSMAVBUAAFPSM-SNVBAGLBSA-N 0 1 208.305 2.640 20 0 BFADMN CCCCOC(=O)[C@@H](C)N(CCCC)C1CC1 ZINC000741778257 584953648 /nfs/dbraw/zinc/95/36/48/584953648.db2.gz FBGUSKVSZWCVOG-GFCCVEGCSA-N 0 1 241.375 2.983 20 0 BFADMN CCCCOC(=O)[C@H](C)N(C)[C@@H](C)C(C)C ZINC000741779872 584953774 /nfs/dbraw/zinc/95/37/74/584953774.db2.gz KNZPQESPDSOSPW-RYUDHWBXSA-N 0 1 229.364 2.695 20 0 BFADMN CO[C@@H](CN[C@H](C)c1ccccc1)C(F)(F)F ZINC000736348328 584998427 /nfs/dbraw/zinc/99/84/27/584998427.db2.gz QXJPUQSDXYRGRN-KOLCDFICSA-N 0 1 247.260 2.915 20 0 BFADMN CC(C)[C@H](NCc1cccnc1)c1ccccn1 ZINC000736647533 585008480 /nfs/dbraw/zinc/00/84/80/585008480.db2.gz IQPDPADOPYEFOF-HNNXBMFYSA-N 0 1 241.338 2.964 20 0 BFADMN C[C@H](CC(=O)[O-])Nc1cccc2cc[nH+]cc21 ZINC000820090016 585010194 /nfs/dbraw/zinc/01/01/94/585010194.db2.gz XPKODCKQQKCMIV-SECBINFHSA-N 0 1 230.267 2.510 20 0 BFADMN C[N@@H+]([C@@H](C(=O)[O-])c1ccccc1)[C@H]1C=CCCC1 ZINC000737384322 585030978 /nfs/dbraw/zinc/03/09/78/585030978.db2.gz UJDIMXGHZUAIPD-UONOGXRCSA-N 0 1 245.322 2.853 20 0 BFADMN CCC(N)=NOCc1c(C)cccc1C ZINC000738289929 585042296 /nfs/dbraw/zinc/04/22/96/585042296.db2.gz WELJHBBMBKXZRZ-UHFFFAOYSA-N 0 1 206.289 2.712 20 0 BFADMN Cc1cccc2c1CC[N@@H+](CCCCC(=O)[O-])C2 ZINC000738319066 585042596 /nfs/dbraw/zinc/04/25/96/585042596.db2.gz DZMXMBICOHOBGL-UHFFFAOYSA-N 0 1 247.338 2.608 20 0 BFADMN CCC[C@H]1CCCN(CN2CCSC2=O)C1 ZINC000121343364 585067785 /nfs/dbraw/zinc/06/77/85/585067785.db2.gz VYUXYJVTMPREAL-NSHDSACASA-N 0 1 242.388 2.625 20 0 BFADMN CCn1ncc(CNCCCCC(C)(C)C)n1 ZINC000838934745 585081671 /nfs/dbraw/zinc/08/16/71/585081671.db2.gz ZLZWNQGTEHYCDL-UHFFFAOYSA-N 0 1 238.379 2.604 20 0 BFADMN Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000003755438 585091726 /nfs/dbraw/zinc/09/17/26/585091726.db2.gz XROMXWXEEBYAAC-AWEZNQCLSA-N 0 1 247.338 2.743 20 0 BFADMN CC(C)C1(O)CN(Cc2ccccc2C2CC2)C1 ZINC000839133373 585094225 /nfs/dbraw/zinc/09/42/25/585094225.db2.gz QMFMCAYMYXHSQS-UHFFFAOYSA-N 0 1 245.366 2.767 20 0 BFADMN Cc1cc(CN2CC3(C2)CCOCC3)c(C)o1 ZINC000839140224 585094657 /nfs/dbraw/zinc/09/46/57/585094657.db2.gz CQHRLOQWLMVLAH-UHFFFAOYSA-N 0 1 235.327 2.509 20 0 BFADMN C[C@H](NCCSC(C)(C)C)c1ccn(C)n1 ZINC000839194003 585097825 /nfs/dbraw/zinc/09/78/25/585097825.db2.gz AKRQADCSFBEBDX-JTQLQIEISA-N 0 1 241.404 2.602 20 0 BFADMN OCCC[C@H](NCc1ccoc1)c1ccccc1 ZINC000740900524 585107830 /nfs/dbraw/zinc/10/78/30/585107830.db2.gz SXIHNXMPGMLCME-HNNXBMFYSA-N 0 1 245.322 2.883 20 0 BFADMN OCCC[C@@H](NCc1ccoc1)c1ccccc1 ZINC000740900526 585108010 /nfs/dbraw/zinc/10/80/10/585108010.db2.gz SXIHNXMPGMLCME-OAHLLOKOSA-N 0 1 245.322 2.883 20 0 BFADMN C/C=C/COC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000741010122 585108968 /nfs/dbraw/zinc/10/89/68/585108968.db2.gz APNPIMHVDOIQHB-IHVVCDCBSA-N 0 1 239.359 2.616 20 0 BFADMN CC[C@H](C(=O)OCCC(C)C)N(CC)CC ZINC000741032819 585109054 /nfs/dbraw/zinc/10/90/54/585109054.db2.gz NPCCNFJIVAHLSG-GFCCVEGCSA-N 0 1 229.364 2.696 20 0 BFADMN CC(C)CCOC(=O)[C@@H](C)N1CCCCCC1 ZINC000741031041 585109275 /nfs/dbraw/zinc/10/92/75/585109275.db2.gz ZTTBIXDOANUDIA-CYBMUJFWSA-N 0 1 241.375 2.840 20 0 BFADMN CCCCOC(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000741781250 585117432 /nfs/dbraw/zinc/11/74/32/585117432.db2.gz MRMALJZUYHXFMK-QWHCGFSZSA-N 0 1 241.375 2.840 20 0 BFADMN CCCOC(=O)[C@H](C)N([C@H](C)C1CC1)C1CC1 ZINC000741778268 585118047 /nfs/dbraw/zinc/11/80/47/585118047.db2.gz FPRCAXILUZQYNQ-MNOVXSKESA-N 0 1 239.359 2.591 20 0 BFADMN CCCCOC(=O)[C@H](C)N1CCC[C@@H](CC)C1 ZINC000741776529 585118076 /nfs/dbraw/zinc/11/80/76/585118076.db2.gz LFIWOHCYJQWSCC-QWHCGFSZSA-N 0 1 241.375 2.840 20 0 BFADMN CCCOC(=O)[C@H](C)N1CCC(C)(CC)CC1 ZINC000741778969 585118107 /nfs/dbraw/zinc/11/81/07/585118107.db2.gz GQHNAOZVLAGSSH-LBPRGKRZSA-N 0 1 241.375 2.840 20 0 BFADMN CCCOC(=O)[C@@H](C)N([C@H](C)C1CC1)C1CC1 ZINC000741778267 585118180 /nfs/dbraw/zinc/11/81/80/585118180.db2.gz FPRCAXILUZQYNQ-GHMZBOCLSA-N 0 1 239.359 2.591 20 0 BFADMN CCCCOC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000741781288 585118553 /nfs/dbraw/zinc/11/85/53/585118553.db2.gz NBZAFKNPODCORG-GFCCVEGCSA-N 0 1 241.375 2.840 20 0 BFADMN 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/nfs/dbraw/zinc/68/37/38/585683738.db2.gz LSHYAEPLLQZXLA-OLZOCXBDSA-N 0 1 241.375 2.840 20 0 BFADMN C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H](C)O1 ZINC000777535179 585714376 /nfs/dbraw/zinc/71/43/76/585714376.db2.gz LETVCOUTDWVQDI-TXEJJXNPSA-N 0 1 237.318 2.765 20 0 BFADMN C[C@@H](C1CC1)N1CCO[C@H](c2ccccc2)C1 ZINC000777611195 585716748 /nfs/dbraw/zinc/71/67/48/585716748.db2.gz ZGCJLQXSJWQWFV-WFASDCNBSA-N 0 1 231.339 2.858 20 0 BFADMN FCc1ccc(CN2CCOCC23CCC3)cc1 ZINC000777712588 585718744 /nfs/dbraw/zinc/71/87/44/585718744.db2.gz KSODKVBZOIEIKN-UHFFFAOYSA-N 0 1 249.329 2.911 20 0 BFADMN FCc1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000777712891 585719096 /nfs/dbraw/zinc/71/90/96/585719096.db2.gz LIRPCNKDPQEJFI-OAHLLOKOSA-N 0 1 249.329 2.767 20 0 BFADMN CCCc1ccc(C[N@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000778222098 585727719 /nfs/dbraw/zinc/72/77/19/585727719.db2.gz NCZSGASYVBAXAF-CQSZACIVSA-N 0 1 246.398 2.775 20 0 BFADMN CCC(CC)OC(=O)C(C)(C)N1CCCC1 ZINC000805609688 585736247 /nfs/dbraw/zinc/73/62/47/585736247.db2.gz UBMTXSSDKFKKTH-UHFFFAOYSA-N 0 1 227.348 2.593 20 0 BFADMN CC(C)(C(=O)O[C@@H]1C=CCCC1)N1CCCC1 ZINC000805612640 585739015 /nfs/dbraw/zinc/73/90/15/585739015.db2.gz VWRGVLVRNPZDFX-GFCCVEGCSA-N 0 1 237.343 2.513 20 0 BFADMN CC(C)[C@@H](C)OC(=O)[C@H](C)N1CCCCCC1 ZINC000778683191 585739193 /nfs/dbraw/zinc/73/91/93/585739193.db2.gz XSFHUHRTCNOBSU-QWHCGFSZSA-N 0 1 241.375 2.839 20 0 BFADMN CC(C)[C@H](C)OC(=O)[C@H](C)N1CCCCCC1 ZINC000778683192 585739195 /nfs/dbraw/zinc/73/91/95/585739195.db2.gz XSFHUHRTCNOBSU-STQMWFEESA-N 0 1 241.375 2.839 20 0 BFADMN CC(C)=CCOC(=O)[C@@H](C)N1CCCCCC1 ZINC000778700148 585739669 /nfs/dbraw/zinc/73/96/69/585739669.db2.gz DSKIHHUDBTXTLG-CYBMUJFWSA-N 0 1 239.359 2.760 20 0 BFADMN CN(CCF)CC1(c2ccccc2)CC1 ZINC000781932031 585805348 /nfs/dbraw/zinc/80/53/48/585805348.db2.gz NBMXVZAOOXKBBL-UHFFFAOYSA-N 0 1 207.292 2.620 20 0 BFADMN C[C@H](C1CC1)N1CCO[C@H](c2ccsc2)C1 ZINC000782186519 585811143 /nfs/dbraw/zinc/81/11/43/585811143.db2.gz KSRRAPVQGXPYJW-MFKMUULPSA-N 0 1 237.368 2.920 20 0 BFADMN C[C@@H](C1CC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000782186513 585811175 /nfs/dbraw/zinc/81/11/75/585811175.db2.gz KSRRAPVQGXPYJW-GXFFZTMASA-N 0 1 237.368 2.920 20 0 BFADMN Fc1cc(F)cc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000782525081 585819589 /nfs/dbraw/zinc/81/95/89/585819589.db2.gz UPPDJFSWMYEZID-SKDRFNHKSA-N 0 1 209.239 2.559 20 0 BFADMN O=C(OCCC1CCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000783444752 585835377 /nfs/dbraw/zinc/83/53/77/585835377.db2.gz ITDSDOWVFAGSMP-LLVKDONJSA-N 0 1 248.326 2.563 20 0 BFADMN O=C(OCCC1CCC1)[C@H]1CCCc2[nH]ncc21 ZINC000783445046 585835437 /nfs/dbraw/zinc/83/54/37/585835437.db2.gz ITDSDOWVFAGSMP-NSHDSACASA-N 0 1 248.326 2.563 20 0 BFADMN Cc1nc2ccc(NC(=O)[C@@H](F)C(C)C)cc2[nH]1 ZINC000784152796 585851782 /nfs/dbraw/zinc/85/17/82/585851782.db2.gz LEODHXRVPKEEFW-LBPRGKRZSA-N 0 1 249.289 2.804 20 0 BFADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H](F)C(C)C ZINC000784460976 585860688 /nfs/dbraw/zinc/86/06/88/585860688.db2.gz KMOXEFZCFPDPHD-ZCFIWIBFSA-N 0 1 249.236 2.588 20 0 BFADMN O=C(Oc1ccccc1)c1ccc2cncn2c1 ZINC000785730781 585878957 /nfs/dbraw/zinc/87/89/57/585878957.db2.gz SMKVNDDJGYVSFB-UHFFFAOYSA-N 0 1 238.246 2.554 20 0 BFADMN CCCCCOC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000785730634 585879161 /nfs/dbraw/zinc/87/91/61/585879161.db2.gz UEKXLVMSHNRLOL-RYUDHWBXSA-N 0 1 227.348 2.593 20 0 BFADMN CC/C=C/CCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785745321 585879249 /nfs/dbraw/zinc/87/92/49/585879249.db2.gz SQBVASGGTCDSSE-JARXHUJSSA-N 0 1 239.359 2.759 20 0 BFADMN CC/C=C/CCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785745319 585879490 /nfs/dbraw/zinc/87/94/90/585879490.db2.gz SQBVASGGTCDSSE-FBVTZJDUSA-N 0 1 239.359 2.759 20 0 BFADMN Cc1n[nH]c(C(C)C)c1C(=O)OCC(C)C ZINC000786340590 585889792 /nfs/dbraw/zinc/88/97/92/585889792.db2.gz PEOVGQNQQDKEKF-UHFFFAOYSA-N 0 1 224.304 2.654 20 0 BFADMN CCC(N)=NOCc1cccc(CC)c1 ZINC000786742540 585897051 /nfs/dbraw/zinc/89/70/51/585897051.db2.gz QSDSFWISTNVOKD-UHFFFAOYSA-N 0 1 206.289 2.657 20 0 BFADMN CCCCCCN([C@H](C)C(=O)OCC)C1CC1 ZINC000787362575 585907798 /nfs/dbraw/zinc/90/77/98/585907798.db2.gz SVIIBSNMSVLPCV-GFCCVEGCSA-N 0 1 241.375 2.983 20 0 BFADMN CC[C@H](c1nc(-c2cccc(F)c2)no1)N(C)C ZINC000788429179 585923248 /nfs/dbraw/zinc/92/32/48/585923248.db2.gz DGFSZARZZKJHGH-LLVKDONJSA-N 0 1 249.289 2.888 20 0 BFADMN CCN(Cc1ccoc1)C[C@H]1CCC=CO1 ZINC000788446141 585923956 /nfs/dbraw/zinc/92/39/56/585923956.db2.gz RMMSVMSJIMQSHW-CYBMUJFWSA-N 0 1 221.300 2.794 20 0 BFADMN CC(C)[C@H](C(=O)OC1CCCCCC1)N(C)C ZINC000789802811 585950633 /nfs/dbraw/zinc/95/06/33/585950633.db2.gz MKCHKBPMJVCATI-CYBMUJFWSA-N 0 1 241.375 2.839 20 0 BFADMN CCCCCC[C@@H](CC)C(=O)Nc1c[nH]nn1 ZINC000790062601 585957099 /nfs/dbraw/zinc/95/70/99/585957099.db2.gz KHNPRPHHLXZARF-SNVBAGLBSA-N 0 1 238.335 2.740 20 0 BFADMN CC=C(C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000791051528 585972612 /nfs/dbraw/zinc/97/26/12/585972612.db2.gz KOLVVTWQLGTXMJ-XBXARRHUSA-N 0 1 229.283 2.776 20 0 BFADMN C[C@H]1CC[C@H](C)N1CC(=O)OCCCCCF ZINC000792201901 585997668 /nfs/dbraw/zinc/99/76/68/585997668.db2.gz AFCOKHRUQZPBOO-RYUDHWBXSA-N 0 1 245.338 2.542 20 0 BFADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCCCCF ZINC000792201902 585997678 /nfs/dbraw/zinc/99/76/78/585997678.db2.gz AFCOKHRUQZPBOO-TXEJJXNPSA-N 0 1 245.338 2.542 20 0 BFADMN CC[C@@H]1CCN1Cn1cc(-c2ccccc2)cn1 ZINC000793823044 586027228 /nfs/dbraw/zinc/02/72/28/586027228.db2.gz INQPKSXKGZXHMN-OAHLLOKOSA-N 0 1 241.338 2.992 20 0 BFADMN CCN(Cc1cc(Cl)n(C)n1)CC(C)(C)C ZINC000859312285 589030252 /nfs/dbraw/zinc/03/02/52/589030252.db2.gz QCGJZZBKEWPQHO-UHFFFAOYSA-N 0 1 243.782 2.942 20 0 BFADMN CC1=C(C)CN(Cc2ccnc(F)c2)CC1 ZINC000859289758 589028451 /nfs/dbraw/zinc/02/84/51/589028451.db2.gz OLQYWLGLLJAGNF-UHFFFAOYSA-N 0 1 220.291 2.763 20 0 BFADMN CC(C)C[C@@H](C)CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795686369 586091204 /nfs/dbraw/zinc/09/12/04/586091204.db2.gz JONZDDZRWQQCNX-VXGBXAGGSA-N 0 1 241.375 2.695 20 0 BFADMN C[C@@]1(c2ccc(F)cc2)CCN(CCF)C1 ZINC000796608887 586108376 /nfs/dbraw/zinc/10/83/76/586108376.db2.gz IEBCNKLEJCCFFL-CYBMUJFWSA-N 0 1 225.282 2.759 20 0 BFADMN CC1(C)CCc2cc(CNCCF)ccc2O1 ZINC000798087076 586136714 /nfs/dbraw/zinc/13/67/14/586136714.db2.gz FTNQAAOBIWZRAB-UHFFFAOYSA-N 0 1 237.318 2.849 20 0 BFADMN CC(C)Cn1ccnc1NCc1ccc(F)nc1 ZINC000798188724 586139201 /nfs/dbraw/zinc/13/92/01/586139201.db2.gz HFRFLIKMLLNOST-UHFFFAOYSA-N 0 1 248.305 2.685 20 0 BFADMN CCC(CC)CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000798847221 586151393 /nfs/dbraw/zinc/15/13/93/586151393.db2.gz IVYJWTOGHRKQIC-CYBMUJFWSA-N 0 1 243.391 2.942 20 0 BFADMN CCC(CC)CCOC(=O)[C@H](C(C)C)N(C)C ZINC000798847222 586151397 /nfs/dbraw/zinc/15/13/97/586151397.db2.gz IVYJWTOGHRKQIC-ZDUSSCGKSA-N 0 1 243.391 2.942 20 0 BFADMN CCC[C@H](C)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798858297 586151726 /nfs/dbraw/zinc/15/17/26/586151726.db2.gz USBWXMIJCDLWHG-YNEHKIRRSA-N 0 1 243.391 2.941 20 0 BFADMN CC(C)C[C@@H](C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000798875237 586152239 /nfs/dbraw/zinc/15/22/39/586152239.db2.gz DPXBYOQSHCHEJN-CHWSQXEVSA-N 0 1 243.391 2.798 20 0 BFADMN CC(C)C(N)=NOCCCCC1CCOCC1 ZINC000799176194 586164647 /nfs/dbraw/zinc/16/46/47/586164647.db2.gz IHUQTOGLTXKERH-UHFFFAOYSA-N 0 1 242.363 2.738 20 0 BFADMN CC(=O)C1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000859324822 589031727 /nfs/dbraw/zinc/03/17/27/589031727.db2.gz YDBLIUSGEUCMHF-UHFFFAOYSA-N 0 1 249.329 2.935 20 0 BFADMN CC1CCC(CN2CCO[C@H](C(F)F)C2)CC1 ZINC000801563678 586263243 /nfs/dbraw/zinc/26/32/43/586263243.db2.gz GRHVBMIOQJSWDH-MCIGGMRASA-N 0 1 247.329 2.779 20 0 BFADMN OCCCCCCCN1Cc2ccc(O)cc2C1 ZINC000859477998 589040109 /nfs/dbraw/zinc/04/01/09/589040109.db2.gz AKIMXRLRMNZBEO-UHFFFAOYSA-N 0 1 249.354 2.651 20 0 BFADMN c1ccc2c(c1)CC[C@H]2CN1CCOCC12CC2 ZINC000801981484 586285327 /nfs/dbraw/zinc/28/53/27/586285327.db2.gz WBEMNXLXSXFIBW-AWEZNQCLSA-N 0 1 243.350 2.581 20 0 BFADMN Cc1oncc1CN1CCCC(F)(F)CC1 ZINC000859537892 589043172 /nfs/dbraw/zinc/04/31/72/589043172.db2.gz RIIQHKYCCRWDRA-UHFFFAOYSA-N 0 1 230.258 2.604 20 0 BFADMN c1cc(CN(C2CC2)C2CC2)c2c(c1)OCCO2 ZINC000859622425 589049589 /nfs/dbraw/zinc/04/95/89/589049589.db2.gz ISNFHXJORHWFBB-UHFFFAOYSA-N 0 1 245.322 2.585 20 0 BFADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC12CCOCC2 ZINC000806180338 586407468 /nfs/dbraw/zinc/40/74/68/586407468.db2.gz MTSPPRZFJXQICM-MNOVXSKESA-N 0 1 245.313 2.723 20 0 BFADMN CCOc1cc(F)ccc1C1=CCCN(C)C1 ZINC000757573083 586463175 /nfs/dbraw/zinc/46/31/75/586463175.db2.gz XIKQLKZRJDRTTB-UHFFFAOYSA-N 0 1 235.302 2.943 20 0 BFADMN CC[C@]1(C)CC(=O)N(CN(C)CC(C)(C)C)C1 ZINC000808161272 586465248 /nfs/dbraw/zinc/46/52/48/586465248.db2.gz WILSLBZLXRSUEW-CQSZACIVSA-N 0 1 240.391 2.570 20 0 BFADMN Cc1ccc2c(c1)[C@H](NCc1cn(C)cn1)CC2 ZINC000808387808 586470201 /nfs/dbraw/zinc/47/02/01/586470201.db2.gz VBWUHEKFBCOIPZ-OAHLLOKOSA-N 0 1 241.338 2.506 20 0 BFADMN CC(C)=CCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000808539472 586478516 /nfs/dbraw/zinc/47/85/16/586478516.db2.gz CFARGRSXHZURMW-UHFFFAOYSA-N 0 1 236.315 2.965 20 0 BFADMN CCN(CCC(=O)C(C)C)Cc1ccoc1 ZINC000808717986 586483793 /nfs/dbraw/zinc/48/37/93/586483793.db2.gz JOKRPBIJHWCRJF-UHFFFAOYSA-N 0 1 223.316 2.717 20 0 BFADMN CC(C)n1cc(CN2CCCCCCC2)nn1 ZINC000809537850 586506263 /nfs/dbraw/zinc/50/62/63/586506263.db2.gz DVEQZCUAGKEWKK-UHFFFAOYSA-N 0 1 236.363 2.625 20 0 BFADMN CCC[C@H](C)[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000809545533 586506736 /nfs/dbraw/zinc/50/67/36/586506736.db2.gz MORZTZUIRJHVNJ-UWVGGRQHSA-N 0 1 242.388 2.817 20 0 BFADMN CCN(Cc1cnc([C@@H](C)O)s1)C1CCC1 ZINC000809581864 586508454 /nfs/dbraw/zinc/50/84/54/586508454.db2.gz PQIUJASKZJUFRG-SECBINFHSA-N 0 1 240.372 2.571 20 0 BFADMN C[C@@H]1CC(C)(C)CN1Cn1cccnc1=S ZINC000840183570 586513499 /nfs/dbraw/zinc/51/34/99/586513499.db2.gz MXBQKEIXWFLPAQ-SNVBAGLBSA-N 0 1 237.372 2.690 20 0 BFADMN CC[C@@H]1CCC[C@@H](CNCc2nonc2C)C1 ZINC000809745469 586516381 /nfs/dbraw/zinc/51/63/81/586516381.db2.gz VEMRZUWBSJVAFL-VXGBXAGGSA-N 0 1 237.347 2.684 20 0 BFADMN Cc1nonc1CN[C@H](C)CCC1CCCC1 ZINC000809743983 586516522 /nfs/dbraw/zinc/51/65/22/586516522.db2.gz PKSTUWHHGAJSMV-SNVBAGLBSA-N 0 1 237.347 2.827 20 0 BFADMN Cc1nonc1CNC1CCC(C(C)C)CC1 ZINC000809744501 586516540 /nfs/dbraw/zinc/51/65/40/586516540.db2.gz NQMOXGOIRCTNRI-UHFFFAOYSA-N 0 1 237.347 2.682 20 0 BFADMN Cl/C=C\CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000810093926 586533657 /nfs/dbraw/zinc/53/36/57/586533657.db2.gz QQWDWWMRQVROLN-NGVDDBCYSA-N 0 1 241.762 2.772 20 0 BFADMN CCCc1ccc(CNCc2cncn2C)cc1 ZINC000810159465 586536080 /nfs/dbraw/zinc/53/60/80/586536080.db2.gz VKNYPCAAMXKSNM-UHFFFAOYSA-N 0 1 243.354 2.662 20 0 BFADMN Cc1nc([C@@H](C)OC(=O)C=C2CCCCC2)n[nH]1 ZINC000840217822 586551645 /nfs/dbraw/zinc/55/16/45/586551645.db2.gz CWGPQPMVKHMFOB-SECBINFHSA-N 0 1 249.314 2.608 20 0 BFADMN C[C@@H](CN1CC(O)(c2ccccc2)C1)C(C)(C)C ZINC000811509055 586560177 /nfs/dbraw/zinc/56/01/77/586560177.db2.gz MLRZACFKQLYWEO-ZDUSSCGKSA-N 0 1 247.382 2.872 20 0 BFADMN CCC[C@H](C)CN1CC(O)(c2ccccc2)C1 ZINC000811510195 586560551 /nfs/dbraw/zinc/56/05/51/586560551.db2.gz YOTPDOXXBAVOGH-ZDUSSCGKSA-N 0 1 233.355 2.626 20 0 BFADMN Cc1nonc1CNC1CCC2(CCCC2)CC1 ZINC000811507130 586560561 /nfs/dbraw/zinc/56/05/61/586560561.db2.gz RTUOMXDTSNVKED-UHFFFAOYSA-N 0 1 249.358 2.971 20 0 BFADMN CC1(C)[C@@H](O)CCN1Cc1cscc1Cl ZINC000812778394 586584172 /nfs/dbraw/zinc/58/41/72/586584172.db2.gz KHCWDMNTOLYCRE-JTQLQIEISA-N 0 1 245.775 2.747 20 0 BFADMN C[C@@H]1CC[C@H](OC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000815238988 586675479 /nfs/dbraw/zinc/67/54/79/586675479.db2.gz HOGLZXXKVUYRJZ-LPWJVIDDSA-N 0 1 239.359 2.591 20 0 BFADMN Cc1cc(F)ccc1[C@@H](C)NCc1cncn1C ZINC000815627824 586689119 /nfs/dbraw/zinc/68/91/19/586689119.db2.gz KLIXFLYKNXKMIS-LLVKDONJSA-N 0 1 247.317 2.718 20 0 BFADMN CCC1(COC(=O)c2ccc3cncn3c2)CC1 ZINC000816184457 586712379 /nfs/dbraw/zinc/71/23/79/586712379.db2.gz YSNHPFGOBNPQDE-UHFFFAOYSA-N 0 1 244.294 2.681 20 0 BFADMN C[C@H](N(C)Cc1cnn(C)c1Cl)C1(C)CC1 ZINC000816520575 586738033 /nfs/dbraw/zinc/73/80/33/586738033.db2.gz SCYBQMMTCVUNSH-VIFPVBQESA-N 0 1 241.766 2.694 20 0 BFADMN C[C@@H](N(C)Cc1cnn(C)c1Cl)C1(C)CC1 ZINC000816520574 586738418 /nfs/dbraw/zinc/73/84/18/586738418.db2.gz SCYBQMMTCVUNSH-SECBINFHSA-N 0 1 241.766 2.694 20 0 BFADMN CC(C)N(Cc1cnn(C)c1Cl)C1CCC1 ZINC000816514999 586738489 /nfs/dbraw/zinc/73/84/89/586738489.db2.gz MISRVABCEOALOD-UHFFFAOYSA-N 0 1 241.766 2.836 20 0 BFADMN C[C@@H]1CN(Cc2cccc3c2OCCCO3)[C@H]1C ZINC000816647055 586749575 /nfs/dbraw/zinc/74/95/75/586749575.db2.gz MYCNEQWCBKWIER-NEPJUHHUSA-N 0 1 247.338 2.688 20 0 BFADMN COc1cccc(CN2C[C@H](C)[C@H]2C)c1F ZINC000816647354 586749654 /nfs/dbraw/zinc/74/96/54/586749654.db2.gz RFPRVQBMABCWFB-VHSXEESVSA-N 0 1 223.291 2.675 20 0 BFADMN C[C@@H]1CN(Cc2cnc(C3CC3)s2)[C@H]1C ZINC000816647563 586750212 /nfs/dbraw/zinc/75/02/12/586750212.db2.gz UQFUTRYXPLDLNO-BDAKNGLRSA-N 0 1 222.357 2.861 20 0 BFADMN COc1ccc(F)c(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816648096 586750770 /nfs/dbraw/zinc/75/07/70/586750770.db2.gz DRRFOOBXDMGGNS-NXEZZACHSA-N 0 1 223.291 2.675 20 0 BFADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(C2CC2)s1 ZINC000816647564 586750781 /nfs/dbraw/zinc/75/07/81/586750781.db2.gz UQFUTRYXPLDLNO-DTWKUNHWSA-N 0 1 222.357 2.861 20 0 BFADMN COc1cc(CN2C[C@@H](C)[C@@H]2C)cc(OC)c1 ZINC000816648036 586750992 /nfs/dbraw/zinc/75/09/92/586750992.db2.gz CKQOJFYCCCBFRL-MNOVXSKESA-N 0 1 235.327 2.544 20 0 BFADMN C[C@@H]1CN(Cc2cnc(C(C)(C)C)nc2)[C@@H]1C ZINC000816649064 586751986 /nfs/dbraw/zinc/75/19/86/586751986.db2.gz SPGMGXDHAHJSST-GHMZBOCLSA-N 0 1 233.359 2.614 20 0 BFADMN CCOc1ccc(CN2C[C@H](C)[C@H]2C)cc1OC ZINC000816649346 586752260 /nfs/dbraw/zinc/75/22/60/586752260.db2.gz XTVCTFOVGCQCPT-NWDGAFQWSA-N 0 1 249.354 2.934 20 0 BFADMN CS/C=C/C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017753 586779014 /nfs/dbraw/zinc/77/90/14/586779014.db2.gz AQFRAOBYDLODBQ-AATRIKPKSA-N 0 1 247.323 2.687 20 0 BFADMN C/C=C(\C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017981 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/nfs/dbraw/zinc/58/89/54/987588954.db2.gz JGMIPQULDLTXDZ-UHFFFAOYSA-N 0 1 246.354 2.928 20 0 BFADMN C(c1noc2c1CCCC2)N1CC2CCC1CC2 ZINC001116463408 987588960 /nfs/dbraw/zinc/58/89/60/987588960.db2.gz JGMIPQULDLTXDZ-UHFFFAOYSA-N 0 1 246.354 2.928 20 0 BFADMN CC[C@H](C)C[C@H](CC)N[C@@H]1CCNCC1(F)F ZINC001246209388 987606359 /nfs/dbraw/zinc/60/63/59/987606359.db2.gz GTCKLDBTCAOOLP-SDDRHHMPSA-N 0 1 248.361 2.788 20 0 BFADMN CCCC[C@H](CCC)N[C@H]1CCNCC1(F)F ZINC001246212608 987610270 /nfs/dbraw/zinc/61/02/70/987610270.db2.gz QHDYJPJUEXWPSR-RYUDHWBXSA-N 0 1 248.361 2.932 20 0 BFADMN CCCC(CCC)N[C@H]1CCNCC1(F)F ZINC001246214578 987610401 /nfs/dbraw/zinc/61/04/01/987610401.db2.gz UPSYKHWGHOINBB-NSHDSACASA-N 0 1 234.334 2.542 20 0 BFADMN CC(C)=CCC[C@H](C)N[C@H]1CCNCC1(F)F ZINC001246215778 987614764 /nfs/dbraw/zinc/61/47/64/987614764.db2.gz YXLZKCLSIHCDJI-RYUDHWBXSA-N 0 1 246.345 2.708 20 0 BFADMN CCn1cnc(Cl)c1CNC/C=C/C1CC1 ZINC001474155665 987650875 /nfs/dbraw/zinc/65/08/75/987650875.db2.gz 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2.729 20 0 BFADMN CC[C@H]1CCN(Cc2c(Cl)cnn2C)[C@H]1C ZINC001474460036 987725658 /nfs/dbraw/zinc/72/56/58/987725658.db2.gz QWZFGGSGDHKCEJ-UWVGGRQHSA-N 0 1 241.766 2.694 20 0 BFADMN Cc1cc(C)cc(CCN2CC[C@@H](F)C2)c1 ZINC001474531969 987750064 /nfs/dbraw/zinc/75/00/64/987750064.db2.gz GAFIPEXGQBVPOR-CQSZACIVSA-N 0 1 221.319 2.890 20 0 BFADMN C[C@H]1CCC[C@@H](CN2CC(OCC(F)F)C2)C1 ZINC001474567746 987763246 /nfs/dbraw/zinc/76/32/46/987763246.db2.gz NHRFJUXYYWTKED-WDEREUQCSA-N 0 1 247.329 2.779 20 0 BFADMN Cc1nc([C@H](C)N[C@@H]2C[C@@H](C)CC[C@H]2C)no1 ZINC001117744222 987886567 /nfs/dbraw/zinc/88/65/67/987886567.db2.gz ASOMJCFYZLMUIN-MIZYBKAJSA-N 0 1 237.347 2.853 20 0 BFADMN CCC1(CC)CN(C(=O)c2cnc(C(C)C)[nH]2)C1 ZINC001117762860 987897705 /nfs/dbraw/zinc/89/77/05/987897705.db2.gz XHXFRYJGQBDOEQ-UHFFFAOYSA-N 0 1 249.358 2.795 20 0 BFADMN CCC1(C)CN(Cc2ncccc2C)C1 ZINC001117815937 987937454 /nfs/dbraw/zinc/93/74/54/987937454.db2.gz ZLPZOJMCTIHZMT-UHFFFAOYSA-N 0 1 204.317 2.622 20 0 BFADMN CCOc1ccc(NCc2cc(C)[nH]n2)c(F)c1 ZINC001117971538 987970732 /nfs/dbraw/zinc/97/07/32/987970732.db2.gz XFWMCFAQZPFJQR-UHFFFAOYSA-N 0 1 249.289 2.868 20 0 BFADMN c1nnc(CSCC2CCCCC2)[nH]1 ZINC001118413128 988313769 /nfs/dbraw/zinc/31/37/69/988313769.db2.gz WAYWFRIHOOJTIV-UHFFFAOYSA-N 0 1 211.334 2.618 20 0 BFADMN CC(C)C[C@@H](C)CSCc1nnc[nH]1 ZINC001118535378 988418005 /nfs/dbraw/zinc/41/80/05/988418005.db2.gz DCQPGKPGOGQVJF-SECBINFHSA-N 0 1 213.350 2.720 20 0 BFADMN Cc1cc(C)c(NCc2nnc[nH]2)c(Cl)c1 ZINC001118578565 988461294 /nfs/dbraw/zinc/46/12/94/988461294.db2.gz HYRABOOPJUBJFQ-UHFFFAOYSA-N 0 1 236.706 2.687 20 0 BFADMN CCCN1CCCC[C@@H]1C(=O)OCC=C(C)C ZINC001323417035 988526854 /nfs/dbraw/zinc/52/68/54/988526854.db2.gz PVYJQDGAAYEBPJ-CYBMUJFWSA-N 0 1 239.359 2.760 20 0 BFADMN CCC[C@H](C)OC(=O)c1ccc2cncn2c1C ZINC001323877627 988640141 /nfs/dbraw/zinc/64/01/41/988640141.db2.gz NDMPCKFCIDIYGG-JTQLQIEISA-N 0 1 246.310 2.988 20 0 BFADMN Cc1ccc(CSCc2nnc[nH]2)cc1F ZINC001118954778 988740117 /nfs/dbraw/zinc/74/01/17/988740117.db2.gz RXPYIUSKISGFLT-UHFFFAOYSA-N 0 1 237.303 2.686 20 0 BFADMN COc1cc(CN2C[C@H](C)[C@H]2C)ccc1F ZINC001324275729 988774059 /nfs/dbraw/zinc/77/40/59/988774059.db2.gz HNHZRUAMZOTOGX-VHSXEESVSA-N 0 1 223.291 2.675 20 0 BFADMN Cc1cc(CN2CC(C)(C)[C@@H]2C(C)C)[nH]n1 ZINC001324275873 988777409 /nfs/dbraw/zinc/77/74/09/988777409.db2.gz JITSLKFFLFEXJV-LBPRGKRZSA-N 0 1 221.348 2.585 20 0 BFADMN CC(C)n1[nH]c(C2CCCCC2)cc1=O ZINC001119065778 988824859 /nfs/dbraw/zinc/82/48/59/988824859.db2.gz OCGQPTJJIFGGTQ-UHFFFAOYSA-N 0 1 208.305 2.563 20 0 BFADMN CCCCc1ccc2nc(CCCO)[nH]c2c1 ZINC001247011928 988841154 /nfs/dbraw/zinc/84/11/54/988841154.db2.gz KRJSAZBAUXRQNT-UHFFFAOYSA-N 0 1 232.327 2.830 20 0 BFADMN [NH3+]Cc1nc2cc(-c3cccs3)ccc2[nH]1 ZINC001247020669 988845836 /nfs/dbraw/zinc/84/58/36/988845836.db2.gz ODELIVVCFJIILQ-UHFFFAOYSA-N 0 1 229.308 2.750 20 0 BFADMN CCCCn1c2cc(C)ccc2nc1CN ZINC001247050716 988847730 /nfs/dbraw/zinc/84/77/30/988847730.db2.gz WHBOSBFPKLAAKS-UHFFFAOYSA-N 0 1 217.316 2.604 20 0 BFADMN CC[C@H](N[C@H](C)c1noc(C)n1)C1CCCC1 ZINC001324664181 988918614 /nfs/dbraw/zinc/91/86/14/988918614.db2.gz ZAKUPEIYYNFXST-SKDRFNHKSA-N 0 1 237.347 2.997 20 0 BFADMN CCC[C@H](NC)c1nc(-c2ccc(F)cc2)no1 ZINC001247625310 988952812 /nfs/dbraw/zinc/95/28/12/988952812.db2.gz NASTYVNAOPJHCE-NSHDSACASA-N 0 1 249.289 2.936 20 0 BFADMN Cc1cc(Cl)cc(-c2noc([C@@H]3CCN3)n2)c1 ZINC001247676870 988978348 /nfs/dbraw/zinc/97/83/48/988978348.db2.gz NQKAXKRHGKPVJK-JTQLQIEISA-N 0 1 249.701 2.733 20 0 BFADMN Cc1cc(-c2noc([C@@H]3CCN3)n2)cc(C)c1F ZINC001247676308 988979150 /nfs/dbraw/zinc/97/91/50/988979150.db2.gz BYCVPMRRAGZMCQ-JTQLQIEISA-N 0 1 247.273 2.527 20 0 BFADMN CC[N@H+]1CC[C@@H]1CNc1nc2cccc(C)c2o1 ZINC001119345019 988984831 /nfs/dbraw/zinc/98/48/31/988984831.db2.gz ZSGKZQKGQRYTLG-LLVKDONJSA-N 0 1 245.326 2.642 20 0 BFADMN Cc1cc(CNC(C)(C)c2ccc(F)cc2)[nH]n1 ZINC001119436957 989068348 /nfs/dbraw/zinc/06/83/48/989068348.db2.gz KYWRDRYGIIMSNP-UHFFFAOYSA-N 0 1 247.317 2.882 20 0 BFADMN Cc1cc(-c2noc([C@H]3CCN3)n2)ccc1Cl ZINC001248284700 989087550 /nfs/dbraw/zinc/08/75/50/989087550.db2.gz BFQDIRJZFROWLX-SNVBAGLBSA-N 0 1 249.701 2.733 20 0 BFADMN CCn1ccnc1C[N@@H+](CC)C(C)(C)C ZINC001325129280 989093419 /nfs/dbraw/zinc/09/34/19/989093419.db2.gz XJISKLVBEVBZRY-UHFFFAOYSA-N 0 1 209.337 2.523 20 0 BFADMN CCN(Cc1nccn1CC)C(C)(C)C ZINC001325129280 989093440 /nfs/dbraw/zinc/09/34/40/989093440.db2.gz XJISKLVBEVBZRY-UHFFFAOYSA-N 0 1 209.337 2.523 20 0 BFADMN CCN(Cc1nnc(C2CC2)o1)C(C)(C)C ZINC001325151759 989102310 /nfs/dbraw/zinc/10/23/10/989102310.db2.gz QNNGSEXGPYZEQD-UHFFFAOYSA-N 0 1 223.320 2.567 20 0 BFADMN CC[C@@H]1CCCC[C@H]1CNc1nccnc1CN ZINC001515785761 989111720 /nfs/dbraw/zinc/11/17/20/989111720.db2.gz NZPOPJGFKCDWBG-NEPJUHHUSA-N 0 1 248.374 2.564 20 0 BFADMN Cc1nc[nH]c1C(=O)OC1CCCCCCC1 ZINC001515859150 989125203 /nfs/dbraw/zinc/12/52/03/989125203.db2.gz JFNJNNNFYNOKQG-UHFFFAOYSA-N 0 1 236.315 2.988 20 0 BFADMN C[N@@H+](C/C=C\c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001119536840 989138690 /nfs/dbraw/zinc/13/86/90/989138690.db2.gz DTPVISHUUYBNJA-YFHOEESVSA-N 0 1 247.338 2.885 20 0 BFADMN C[C@H](OC(=O)[C@@H]1CCC=CCCC1)c1nnc[nH]1 ZINC001516282680 989146863 /nfs/dbraw/zinc/14/68/63/989146863.db2.gz MPARQOZQZIJXCE-WDEREUQCSA-N 0 1 249.314 2.545 20 0 BFADMN Cc1ccc2[nH]c(CN3CC[C@@H](C)C3)nc2c1 ZINC001248840382 989188707 /nfs/dbraw/zinc/18/87/07/989188707.db2.gz SVUASNGLRVWARD-LLVKDONJSA-N 0 1 229.327 2.713 20 0 BFADMN Cc1ccc2nc(CN3CC[C@@H](C)C3)[nH]c2c1 ZINC001248840382 989188714 /nfs/dbraw/zinc/18/87/14/989188714.db2.gz SVUASNGLRVWARD-LLVKDONJSA-N 0 1 229.327 2.713 20 0 BFADMN CC1CN(Cc2cn(C)c3ccnc(Cl)c23)C1 ZINC001248835198 989190035 /nfs/dbraw/zinc/19/00/35/989190035.db2.gz WSKWBYKLNLJDLE-UHFFFAOYSA-N 0 1 249.745 2.678 20 0 BFADMN CC(C)Sc1nccc(CN2CCCC2)n1 ZINC001248828937 989192104 /nfs/dbraw/zinc/19/21/04/989192104.db2.gz KSCBEJDXPHBJJK-UHFFFAOYSA-N 0 1 237.372 2.573 20 0 BFADMN C[C@H]1CCC[C@@H](C[N@@H+](C)C(C)(C)CC(=O)[O-])C1 ZINC001119601986 989217932 /nfs/dbraw/zinc/21/79/32/989217932.db2.gz IQWQEWJCKSJUGQ-NWDGAFQWSA-N 0 1 241.375 2.998 20 0 BFADMN CCCN(CCC)Cc1nc(C)cc(C)n1 ZINC001248932481 989221842 /nfs/dbraw/zinc/22/18/42/989221842.db2.gz IMRGFZSYHADNKM-UHFFFAOYSA-N 0 1 221.348 2.715 20 0 BFADMN CC[C@@H]1CCCN(Cc2nc(C)cc(C)n2)C1 ZINC001248972434 989232266 /nfs/dbraw/zinc/23/22/66/989232266.db2.gz JTEZZJDHCHGCSW-CYBMUJFWSA-N 0 1 233.359 2.715 20 0 BFADMN Cc1cc(C)nc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC001248972617 989234432 /nfs/dbraw/zinc/23/44/32/989234432.db2.gz MYXRNBWNLQEGPI-ZIAGYGMSSA-N 0 1 245.370 2.858 20 0 BFADMN Cc1cc(CN2CCCC2)c(Cl)nc1C ZINC001248989592 989238500 /nfs/dbraw/zinc/23/85/00/989238500.db2.gz UVAFIRMXVDYJIC-UHFFFAOYSA-N 0 1 224.735 2.948 20 0 BFADMN Cc1ccc(CN(C)C)c(F)c1Br ZINC001249459192 989284475 /nfs/dbraw/zinc/28/44/75/989284475.db2.gz KDQIWMACFZIEGY-UHFFFAOYSA-N 0 1 246.123 2.958 20 0 BFADMN CC(C)(C)c1c[nH]c(CN2CC[C@H]3OCC[C@H]32)c1 ZINC001249477197 989287977 /nfs/dbraw/zinc/28/79/77/989287977.db2.gz VSKDLOCTRPNWLA-ZIAGYGMSSA-N 0 1 248.370 2.675 20 0 BFADMN CN(Cc1cc(C(C)(C)C)c[nH]1)[C@@H]1CCOC1 ZINC001249478894 989290668 /nfs/dbraw/zinc/29/06/68/989290668.db2.gz FYFBMDIBCOUOQH-CYBMUJFWSA-N 0 1 236.359 2.533 20 0 BFADMN CCC[C@H](C)[C@H](C)OC(=O)c1[nH]cnc1C ZINC001518232138 989291162 /nfs/dbraw/zinc/29/11/62/989291162.db2.gz CXQXOQWVZIRODD-WPRPVWTQSA-N 0 1 224.304 2.700 20 0 BFADMN CC(C)(C)c1c[nH]c(CN2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001249479903 989294452 /nfs/dbraw/zinc/29/44/52/989294452.db2.gz WWEHCQIZLOZITQ-SMDDNHRTSA-N 0 1 248.370 2.533 20 0 BFADMN COc1cc2ccccc2cc1-n1cncc1N ZINC001249549263 989308146 /nfs/dbraw/zinc/30/81/46/989308146.db2.gz FQXWITTYQYBFJU-UHFFFAOYSA-N 0 1 239.278 2.616 20 0 BFADMN Cc1cc(CN2C[C@H](C)CC23CC3)ns1 ZINC001249593810 989324276 /nfs/dbraw/zinc/32/42/76/989324276.db2.gz WAMAFYWQEVCQMW-SECBINFHSA-N 0 1 222.357 2.826 20 0 BFADMN Cc1nc[nH]c1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001518958364 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CC(C)=C(C)C(=O)Nc1ccc(F)c(F)c1O ZINC000837266710 587862592 /nfs/dbraw/zinc/86/25/92/587862592.db2.gz YIQFIMFPTBHBOO-UHFFFAOYSA-N 0 1 241.237 2.965 20 0 BFADMN COC1(CNc2nccn2C2CC2)CCCC1 ZINC000840886621 587928318 /nfs/dbraw/zinc/92/83/18/587928318.db2.gz JFBWSFPSDMXLOH-UHFFFAOYSA-N 0 1 235.331 2.589 20 0 BFADMN Cc1occc1CN[C@@H](C)c1ccc[nH]1 ZINC000840905731 587928743 /nfs/dbraw/zinc/92/87/43/587928743.db2.gz CSGGSMSENKGFPN-VIFPVBQESA-N 0 1 204.273 2.767 20 0 BFADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)oc1C ZINC000840996715 587934264 /nfs/dbraw/zinc/93/42/64/587934264.db2.gz JGUWAAINKMVAJQ-SECBINFHSA-N 0 1 239.315 2.582 20 0 BFADMN Cl/C=C/CN1CCC(OC2CCC2)CC1 ZINC000842161996 588004652 /nfs/dbraw/zinc/00/46/52/588004652.db2.gz SWCSFVSLVXMXSD-FARCUNLSSA-N 0 1 229.751 2.772 20 0 BFADMN CN(CCC(C)(C)C)CN1CCC(C)(C)C1=O ZINC000842632306 588046599 /nfs/dbraw/zinc/04/65/99/588046599.db2.gz XFXCAHDTUDNASN-UHFFFAOYSA-N 0 1 240.391 2.570 20 0 BFADMN CC[C@H]1CC(=O)N(CN(C)CCC(C)(C)C)C1 ZINC000842630378 588047213 /nfs/dbraw/zinc/04/72/13/588047213.db2.gz CYTYGJCDNGIOBX-LBPRGKRZSA-N 0 1 240.391 2.570 20 0 BFADMN CC(C)C(N)=NOCCCN(C)c1ccccc1 ZINC000842649235 588049070 /nfs/dbraw/zinc/04/90/70/588049070.db2.gz COKYKARGICAHCQ-UHFFFAOYSA-N 0 1 249.358 2.667 20 0 BFADMN CC(C)Cn1nccc1CNCCC(F)(F)F ZINC000842689882 588053119 /nfs/dbraw/zinc/05/31/19/588053119.db2.gz KNBIVRYKCANLAA-UHFFFAOYSA-N 0 1 249.280 2.581 20 0 BFADMN C/C=C(/C)COC(=O)[C@H](CC)N(CC)CC ZINC000842844755 588068323 /nfs/dbraw/zinc/06/83/23/588068323.db2.gz XYDIVSDPBGBJJJ-DSDFTUOUSA-N 0 1 227.348 2.616 20 0 BFADMN C/C(=C\c1nc([C@H](N)C(C)C)no1)C1CC1 ZINC000843150840 588087380 /nfs/dbraw/zinc/08/73/80/588087380.db2.gz VUBSNSUKXZCFEH-LXSSAFMLSA-N 0 1 221.304 2.539 20 0 BFADMN Cc1ccc([C@H](C)c2nc([C@@H](N)C(C)C)no2)o1 ZINC000843148776 588087455 /nfs/dbraw/zinc/08/74/55/588087455.db2.gz DQGLLGBWXVQAHT-ONGXEEELSA-N 0 1 249.314 2.779 20 0 BFADMN CC1=C(c2nc([C@@H](N)C(C)C)no2)CCC1 ZINC000843148711 588087711 /nfs/dbraw/zinc/08/77/11/588087711.db2.gz CTKPGYVAZGODDE-JTQLQIEISA-N 0 1 221.304 2.683 20 0 BFADMN CCC[C@H](C)c1noc(-c2ccc(CN)o2)n1 ZINC000843182253 588090886 /nfs/dbraw/zinc/09/08/86/588090886.db2.gz LWDKZYLJAFHOJD-QMMMGPOBSA-N 0 1 235.287 2.692 20 0 BFADMN CCCN[C@H](C)c1nc(CCc2ccco2)no1 ZINC000843193632 588092424 /nfs/dbraw/zinc/09/24/24/588092424.db2.gz UPTXREPVYRLXJS-SNVBAGLBSA-N 0 1 249.314 2.508 20 0 BFADMN CC(C)Cn1nccc1CN1CCC1(C)C ZINC000843394767 588106561 /nfs/dbraw/zinc/10/65/61/588106561.db2.gz CKVBMNKONBJJTA-UHFFFAOYSA-N 0 1 221.348 2.523 20 0 BFADMN CCCONC(=O)[C@@H](C)c1c(F)cccc1F ZINC000844084957 588163259 /nfs/dbraw/zinc/16/32/59/588163259.db2.gz GCXRWJSVMJSOAA-QMMMGPOBSA-N 0 1 243.253 2.526 20 0 BFADMN CCC[C@H](C)[C@@H](CO)NC/C(Cl)=C/Cl ZINC000844375724 588188109 /nfs/dbraw/zinc/18/81/09/588188109.db2.gz SQGTZKXNJPCEBI-FBACALJWSA-N 0 1 240.174 2.692 20 0 BFADMN CC(C)[C@@H](N)c1noc([C@@H]2C[C@H]2C2CCC2)n1 ZINC000844905852 588218896 /nfs/dbraw/zinc/21/88/96/588218896.db2.gz HWUGGQRTFKYWLJ-HBNTYKKESA-N 0 1 235.331 2.629 20 0 BFADMN CC(C)[C@H](N)c1noc(/C=C\C2CCCC2)n1 ZINC000844906679 588218979 /nfs/dbraw/zinc/21/89/79/588218979.db2.gz RWVBUNVEHKFEFV-KRZKBDHCSA-N 0 1 235.331 2.929 20 0 BFADMN Cc1nccc(N2C[C@H]3[C@@H](C2)C3(F)F)c1Cl ZINC000845752293 588243753 /nfs/dbraw/zinc/24/37/53/588243753.db2.gz BGFINGAMXMXKQZ-OCAPTIKFSA-N 0 1 244.672 2.745 20 0 BFADMN Fc1ccc(CN2CCC23CCCC3)cn1 ZINC000846001236 588253179 /nfs/dbraw/zinc/25/31/79/588253179.db2.gz ZLBQNXUBEABUQO-UHFFFAOYSA-N 0 1 220.291 2.739 20 0 BFADMN c1nsnc1CN1CCCC12CCCCC2 ZINC000846836275 588291861 /nfs/dbraw/zinc/29/18/61/588291861.db2.gz PBTNLWVCVQYCTK-UHFFFAOYSA-N 0 1 237.372 2.837 20 0 BFADMN C[C@@H]1CN(Cc2cnsn2)[C@@H]2CCCC[C@H]21 ZINC000846850687 588293095 /nfs/dbraw/zinc/29/30/95/588293095.db2.gz RFLGVEVRAALADY-ADEWGFFLSA-N 0 1 237.372 2.549 20 0 BFADMN CCCCOC(=O)[C@@H](C)N(CCC)C(C)C ZINC000847034394 588304436 /nfs/dbraw/zinc/30/44/36/588304436.db2.gz UFSLNLCMSURKQO-GFCCVEGCSA-N 0 1 229.364 2.839 20 0 BFADMN CCCC1(C(=O)OCc2cc(C3CC3)[nH]n2)CC1 ZINC000848013347 588347067 /nfs/dbraw/zinc/34/70/67/588347067.db2.gz LMZDFLCKKTYMPA-UHFFFAOYSA-N 0 1 248.326 2.911 20 0 BFADMN CC[C@H](C)CC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010909 588347596 /nfs/dbraw/zinc/34/75/96/588347596.db2.gz AZJNQVFNFJOZOA-VIFPVBQESA-N 0 1 236.315 2.767 20 0 BFADMN OCCCCCCOc1ccnc2c1CCCC2 ZINC000848524919 588392253 /nfs/dbraw/zinc/39/22/53/588392253.db2.gz HVJUPHYMEQZEIP-UHFFFAOYSA-N 0 1 249.354 2.892 20 0 BFADMN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000848536364 588394058 /nfs/dbraw/zinc/39/40/58/588394058.db2.gz ODLCROUMFMZVJQ-QWRGUYRKSA-N 0 1 230.315 2.525 20 0 BFADMN CN[C@@H](C)c1nc(-c2occc2C(C)C)no1 ZINC000848629406 588402569 /nfs/dbraw/zinc/40/25/69/588402569.db2.gz AXQQKWHYPFXDSE-QMMMGPOBSA-N 0 1 235.287 2.733 20 0 BFADMN CC[C@H]1CCCN(Cc2cnc(Cl)n2C)C1 ZINC000848882615 588416541 /nfs/dbraw/zinc/41/65/41/588416541.db2.gz VXBYJOORVIFEHO-JTQLQIEISA-N 0 1 241.766 2.696 20 0 BFADMN CC(C)[C@H]1CCN(Cc2cnc(Cl)n2C)C1 ZINC000848889061 588417482 /nfs/dbraw/zinc/41/74/82/588417482.db2.gz FKCNZSUVHOHSCV-JTQLQIEISA-N 0 1 241.766 2.551 20 0 BFADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cnc(Cl)n1C ZINC000848904237 588418279 /nfs/dbraw/zinc/41/82/79/588418279.db2.gz OAHATEMXQRUCHU-KOLCDFICSA-N 0 1 241.766 2.694 20 0 BFADMN CN(Cc1cnc(Cl)n1C)C1CC(C)(C)C1 ZINC000848915824 588420167 /nfs/dbraw/zinc/42/01/67/588420167.db2.gz BCQCQZSCDUCTJK-UHFFFAOYSA-N 0 1 241.766 2.694 20 0 BFADMN CCCCCC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849629123 588481918 /nfs/dbraw/zinc/48/19/18/588481918.db2.gz OTYTZVDUZBKVID-VIFPVBQESA-N 0 1 239.319 2.552 20 0 BFADMN CCCC[N@@H+](C)Cn1nccc1-c1ccncc1 ZINC000109060033 588515658 /nfs/dbraw/zinc/51/56/58/588515658.db2.gz QEHZWMNCFBPDNZ-UHFFFAOYSA-N 0 1 244.342 2.635 20 0 BFADMN CC[C@@H]1C[C@@H](Nc2cc3c(cn2)CCCC3)CO1 ZINC000850305894 588535515 /nfs/dbraw/zinc/53/55/15/588535515.db2.gz LOFZWHBOEUOLAW-ZIAGYGMSSA-N 0 1 246.354 2.940 20 0 BFADMN Clc1nc2ccccn2c1CN[C@H]1C=CCC1 ZINC000850357826 588539249 /nfs/dbraw/zinc/53/92/49/588539249.db2.gz AECBURCSOYTQTH-JTQLQIEISA-N 0 1 247.729 2.796 20 0 BFADMN Cc1csc(CNC[C@H]2C(C)(C)C2(F)F)n1 ZINC000850394071 588543571 /nfs/dbraw/zinc/54/35/71/588543571.db2.gz JTIGWQHVKLQGGT-QMMMGPOBSA-N 0 1 246.326 2.832 20 0 BFADMN CC1(C)[C@H](NCc2ccon2)[C@@H]2CCC[C@@H]21 ZINC000850438432 588546635 /nfs/dbraw/zinc/54/66/35/588546635.db2.gz FWHSYLOZEPFHQW-GRYCIOLGSA-N 0 1 220.316 2.589 20 0 BFADMN CC[C@]1(C)CCC[C@H]1NCc1ncccn1 ZINC000850551577 588559633 /nfs/dbraw/zinc/55/96/33/588559633.db2.gz HWQJWAPZOFMUJG-DGCLKSJQSA-N 0 1 219.332 2.535 20 0 BFADMN CC(C)[C@@H](C(=O)O[C@@H](C)C1CCCC1)N(C)C ZINC000851139921 588593718 /nfs/dbraw/zinc/59/37/18/588593718.db2.gz VKHQJERWGNSBOD-AAEUAGOBSA-N 0 1 241.375 2.695 20 0 BFADMN CCc1nnc([C@H](C)N2CCCCCCC2)[nH]1 ZINC000851715118 588615869 /nfs/dbraw/zinc/61/58/69/588615869.db2.gz XJPPKWPZRCMRLR-NSHDSACASA-N 0 1 236.363 2.694 20 0 BFADMN C[C@@H]1CCCCN1Cc1cccc(F)n1 ZINC000851720272 588617328 /nfs/dbraw/zinc/61/73/28/588617328.db2.gz FNRWICXZGPNORW-SNVBAGLBSA-N 0 1 208.280 2.595 20 0 BFADMN COC[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000851771307 588625659 /nfs/dbraw/zinc/62/56/59/588625659.db2.gz BBDTWCLXHNZRCP-SECBINFHSA-N 0 1 238.158 2.664 20 0 BFADMN CCOC[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851798928 588630056 /nfs/dbraw/zinc/63/00/56/588630056.db2.gz UUDSAUODXMYQBV-VIFPVBQESA-N 0 1 238.158 2.664 20 0 BFADMN C[C@H]1CN(CCOC(F)F)[C@@H]1c1ccccc1 ZINC000851800539 588630619 /nfs/dbraw/zinc/63/06/19/588630619.db2.gz KXCBPEROJJPQDM-JQWIXIFHSA-N 0 1 241.281 2.919 20 0 BFADMN CCC[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000851807376 588631741 /nfs/dbraw/zinc/63/17/41/588631741.db2.gz DENBIFRRMLMDTQ-SNVBAGLBSA-N 0 1 221.291 2.738 20 0 BFADMN CC(C)CC1CCN(Cc2cn(C)cn2)CC1 ZINC000851811327 588632740 /nfs/dbraw/zinc/63/27/40/588632740.db2.gz VDZJVEZHHNXSEE-UHFFFAOYSA-N 0 1 235.375 2.678 20 0 BFADMN CC[C@]1(CO)CCCN1CC=C(Cl)Cl ZINC000851970173 588649797 /nfs/dbraw/zinc/64/97/97/588649797.db2.gz BTGQVSVLPMCZQU-SNVBAGLBSA-N 0 1 238.158 2.542 20 0 BFADMN CCC1(CC)CCCN(Cc2cnon2)CC1 ZINC000851975573 588650528 /nfs/dbraw/zinc/65/05/28/588650528.db2.gz JIUMTBORBIFJDE-UHFFFAOYSA-N 0 1 237.347 2.862 20 0 BFADMN C[C@@H]1CSCCN(CC=C(Cl)Cl)C1 ZINC000851982625 588651528 /nfs/dbraw/zinc/65/15/28/588651528.db2.gz JZFMXOSAMMZEHV-QMMMGPOBSA-N 0 1 240.199 2.990 20 0 BFADMN Fc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000852218939 588673595 /nfs/dbraw/zinc/67/35/95/588673595.db2.gz GLGJKLVLBSALDT-JQWIXIFHSA-N 0 1 220.291 2.595 20 0 BFADMN Fc1cccc(CN2C[C@@H]3CCCC[C@@H]32)n1 ZINC000852218939 588673596 /nfs/dbraw/zinc/67/35/96/588673596.db2.gz GLGJKLVLBSALDT-JQWIXIFHSA-N 0 1 220.291 2.595 20 0 BFADMN CCCCOC(=O)[C@@H](C)N(CC)[C@@H](C)CC ZINC000852292663 588676948 /nfs/dbraw/zinc/67/69/48/588676948.db2.gz GEPBFUFLUYPGLC-NWDGAFQWSA-N 0 1 229.364 2.839 20 0 BFADMN CN(CCF)Cc1cccc2ncccc12 ZINC000852310574 588678038 /nfs/dbraw/zinc/67/80/38/588678038.db2.gz SNEYREUBRHFHQM-UHFFFAOYSA-N 0 1 218.275 2.636 20 0 BFADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000008300843 588678935 /nfs/dbraw/zinc/67/89/35/588678935.db2.gz FICZFUYQYHIORF-CQSZACIVSA-N 0 1 247.338 2.661 20 0 BFADMN Cc1cnc(CN2CCC(C3CCC3)CC2)cn1 ZINC000852407883 588681039 /nfs/dbraw/zinc/68/10/39/588681039.db2.gz HRMWAQISVFDBGV-UHFFFAOYSA-N 0 1 245.370 2.797 20 0 BFADMN C[C@H]1COC2(CCC2)C[N@H+]1CC1CC(F)(F)C1 ZINC000852445186 588682758 /nfs/dbraw/zinc/68/27/58/588682758.db2.gz WPLGDMJDUJNFRW-JTQLQIEISA-N 0 1 245.313 2.675 20 0 BFADMN CCCCC[C@@H]1CCCC[N@H+]1CC[S@](C)=O ZINC000852712493 588696986 /nfs/dbraw/zinc/69/69/86/588696986.db2.gz QLDWTRMZNVQGEW-CJNGLKHVSA-N 0 1 245.432 2.800 20 0 BFADMN Cc1cc(C[N@@H+](CCC2CC2)CC2CC2)n(C)n1 ZINC000852716321 588697432 /nfs/dbraw/zinc/69/74/32/588697432.db2.gz JWDCRURHZMDPFR-UHFFFAOYSA-N 0 1 247.386 2.741 20 0 BFADMN Cc1nonc1CN1CCCC[C@H]1CC1CCC1 ZINC000852712914 588697535 /nfs/dbraw/zinc/69/75/35/588697535.db2.gz ZKCINCBRJRSBAJ-ZDUSSCGKSA-N 0 1 249.358 2.923 20 0 BFADMN CCCCCC[N@@H+](C)CC(=O)N(CC)C1CC1 ZINC000118310643 589167135 /nfs/dbraw/zinc/16/71/35/589167135.db2.gz WHJWIWTYFUYWDO-UHFFFAOYSA-N 0 1 240.391 2.509 20 0 BFADMN Cc1c(C[N@H+](C)[C@H](C)C2CC2)ccnc1F ZINC000862225123 589195887 /nfs/dbraw/zinc/19/58/87/589195887.db2.gz OXNWUPDTUWNNQH-SNVBAGLBSA-N 0 1 222.307 2.759 20 0 BFADMN Cc1ncc(CNc2cc3c(cn2)CCCC3)o1 ZINC000862375461 589205593 /nfs/dbraw/zinc/20/55/93/589205593.db2.gz PQYNSUTZWNODDG-UHFFFAOYSA-N 0 1 243.310 2.869 20 0 BFADMN CC1(C)CCC(C)(NCc2csnn2)CC1 ZINC000862508037 589217838 /nfs/dbraw/zinc/21/78/38/589217838.db2.gz NYRNCCUXQXGBAT-UHFFFAOYSA-N 0 1 239.388 2.987 20 0 BFADMN S=c1ncccn1CN1CCCC2(CC2)CC1 ZINC000863332079 589280831 /nfs/dbraw/zinc/28/08/31/589280831.db2.gz YVJJEOVDFOECMF-UHFFFAOYSA-N 0 1 249.383 2.836 20 0 BFADMN CCC(N)=NOCc1ccc(C)c(F)c1 ZINC000863455796 589288978 /nfs/dbraw/zinc/28/89/78/589288978.db2.gz WQQSVNMSVQEODN-UHFFFAOYSA-N 0 1 210.252 2.543 20 0 BFADMN CCC[C@H](C)CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000863467465 589290915 /nfs/dbraw/zinc/29/09/15/589290915.db2.gz XYAWXULOSARHRM-YNEHKIRRSA-N 0 1 241.375 2.998 20 0 BFADMN CCc1n[nH]c(SCOC2CCCCC2)n1 ZINC000865350702 589423481 /nfs/dbraw/zinc/42/34/81/589423481.db2.gz XLHUDLRFJHINDV-UHFFFAOYSA-N 0 1 241.360 2.766 20 0 BFADMN CCc1nc(SCOC2CCCCC2)n[nH]1 ZINC000865350702 589423482 /nfs/dbraw/zinc/42/34/82/589423482.db2.gz XLHUDLRFJHINDV-UHFFFAOYSA-N 0 1 241.360 2.766 20 0 BFADMN Cc1cc(CNCc2cccc(Cl)c2C)[nH]n1 ZINC000865470916 589439229 /nfs/dbraw/zinc/43/92/29/589439229.db2.gz KZMHGPUUDNGDJX-UHFFFAOYSA-N 0 1 249.745 2.970 20 0 BFADMN C[C@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC000865496866 589441400 /nfs/dbraw/zinc/44/14/00/589441400.db2.gz DZMWWFVIDOUODV-QMMMGPOBSA-N 0 1 230.233 2.947 20 0 BFADMN Cc1cc(CNc2cc3c(cn2)CCCC3)on1 ZINC000865576226 589448173 /nfs/dbraw/zinc/44/81/73/589448173.db2.gz ZVSPIDBCDBHOAM-UHFFFAOYSA-N 0 1 243.310 2.869 20 0 BFADMN Cc1occc1CN[C@@H]1CCCC[C@@H]1F ZINC000865697082 589456722 /nfs/dbraw/zinc/45/67/22/589456722.db2.gz RUUVBAJHVYAJRL-NWDGAFQWSA-N 0 1 211.280 2.958 20 0 BFADMN F[C@@H]1CCCC[C@@H]1NCc1cnc(C2CC2)nc1 ZINC000865696793 589456956 /nfs/dbraw/zinc/45/69/56/589456956.db2.gz KQHHUCJGJWFNET-OLZOCXBDSA-N 0 1 249.333 2.724 20 0 BFADMN Cc1ccoc1CN[C@@H]1CCCC[C@@H]1F ZINC000865699086 589457133 /nfs/dbraw/zinc/45/71/33/589457133.db2.gz LURDMHPZJZFEGV-WDEREUQCSA-N 0 1 211.280 2.958 20 0 BFADMN CS[C@H]1C[C@H](NCc2ncc(Cl)s2)C1 ZINC000865733990 589459222 /nfs/dbraw/zinc/45/92/22/589459222.db2.gz DKJPWFFEKCRRKR-LJGSYFOKSA-N 0 1 248.804 2.780 20 0 BFADMN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C)o2)CO1 ZINC000865814783 589462871 /nfs/dbraw/zinc/46/28/71/589462871.db2.gz KECYEBBWFWZGTK-GHMZBOCLSA-N 0 1 237.343 2.844 20 0 BFADMN CC[C@H](C)N[C@H]1c2ccccc2OC[C@@H]1F ZINC000866214348 589480946 /nfs/dbraw/zinc/48/09/46/589480946.db2.gz NNKFFTHAMHFVGO-GAFUQQFSSA-N 0 1 223.291 2.846 20 0 BFADMN F[C@H]1COc2ccccc2[C@H]1NC1(C2CC2)CC1 ZINC000866319359 589486181 /nfs/dbraw/zinc/48/61/81/589486181.db2.gz FLZGMPSTTRLPRT-GXTWGEPZSA-N 0 1 247.313 2.990 20 0 BFADMN C[C@@H](N[C@H]1c2ccccc2OC[C@@H]1F)C1CC1 ZINC000866363927 589488158 /nfs/dbraw/zinc/48/81/58/589488158.db2.gz NRAQYGIOLDUQIO-LQJRIPTKSA-N 0 1 235.302 2.846 20 0 BFADMN CCC(F)(F)CN[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866397981 589490073 /nfs/dbraw/zinc/49/00/73/589490073.db2.gz KAWVPQDSVASOCN-NEPJUHHUSA-N 0 1 247.329 2.969 20 0 BFADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866449855 589493696 /nfs/dbraw/zinc/49/36/96/589493696.db2.gz JRTAFKUYWFSJMY-JIMOISOXSA-N 0 1 239.338 2.660 20 0 BFADMN Cc1cc([C@H](C)NCC[C@@H]2CCCS2)no1 ZINC000866480033 589495651 /nfs/dbraw/zinc/49/56/51/589495651.db2.gz CSURJCVTIRFQGO-QWRGUYRKSA-N 0 1 240.372 2.919 20 0 BFADMN Cc1cncc([C@H](C)N[C@@H](C)c2ccnn2C)c1 ZINC000866614557 589504865 /nfs/dbraw/zinc/50/48/65/589504865.db2.gz NANJBIKPGQYHEH-RYUDHWBXSA-N 0 1 244.342 2.535 20 0 BFADMN Nc1ccc2c(c1)OCC[N@H+](CC1CCCC1)C2 ZINC000866689474 589512209 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2.742 20 0 BFADMN C[C@H]1[C@@H](C)[N@H+]([C@H](C(=O)[O-])c2ccccc2)C[C@H]1C ZINC000399634134 973232043 /nfs/dbraw/zinc/23/20/43/973232043.db2.gz WFVZWEAOWHUUHB-BYNQJWBRSA-N 0 1 247.338 2.789 20 0 BFADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](CC)CC(=O)[O-] ZINC000401419110 973363828 /nfs/dbraw/zinc/36/38/28/973363828.db2.gz DPOGALYZQLXBJN-NWDGAFQWSA-N 0 1 227.348 2.609 20 0 BFADMN CC[C@H]1CCCC[C@H]1C[N@@H+](CC)CCC(=O)[O-] ZINC000401432874 973365149 /nfs/dbraw/zinc/36/51/49/973365149.db2.gz ITQFROZOFDQBSO-STQMWFEESA-N 0 1 241.375 2.999 20 0 BFADMN CN1CC2(C1)CN(c1cccc3ccccc31)C2 ZINC001276960589 973511006 /nfs/dbraw/zinc/51/10/06/973511006.db2.gz NLEFIAMTZKIQKJ-UHFFFAOYSA-N 0 1 238.334 2.592 20 0 BFADMN CO[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)C1(C)C ZINC000234838107 973776265 /nfs/dbraw/zinc/77/62/65/973776265.db2.gz MNVLBTIZJPRGRD-XOPPAYCJSA-N 0 1 238.158 2.709 20 0 BFADMN CC(C)(C)[C@H](NCc1nnc[nH]1)c1ccccc1 ZINC001329877842 973998805 /nfs/dbraw/zinc/99/88/05/973998805.db2.gz WSYVLEPIAQJEQT-CYBMUJFWSA-N 0 1 244.342 2.682 20 0 BFADMN C[Si](C)(C)CCOC1CCN(CCF)CC1 ZINC001224908054 974072078 /nfs/dbraw/zinc/07/20/78/974072078.db2.gz ZZKMWAQKUKMSPD-UHFFFAOYSA-N 0 1 247.430 2.775 20 0 BFADMN CC(=O)CC(C)(C)Nc1ccnc2c1ccn2C ZINC001171502232 974084332 /nfs/dbraw/zinc/08/43/32/974084332.db2.gz BBKANLALOAVPQT-UHFFFAOYSA-N 0 1 245.326 2.743 20 0 BFADMN Fc1cc2c(c(F)c1F)C[C@@H](N1CCC1)CC2 ZINC001171528036 974091346 /nfs/dbraw/zinc/09/13/46/974091346.db2.gz GWEWXHOBHGTDOX-VIFPVBQESA-N 0 1 241.256 2.667 20 0 BFADMN Cc1nnc(-c2ccc(C3CC3)cc2F)[nH]1 ZINC001330103373 974108856 /nfs/dbraw/zinc/10/88/56/974108856.db2.gz ZKXSOEZCTBLKTM-UHFFFAOYSA-N 0 1 217.247 2.797 20 0 BFADMN [CH2]CC[N@@H+](CCN)[C@@H](C)CCc1ccc(C)cc1 ZINC001171663591 974125844 /nfs/dbraw/zinc/12/58/44/974125844.db2.gz NLCZGOCPPYTTPX-HNNXBMFYSA-N 0 1 247.406 2.801 20 0 BFADMN [CH2]CCN(CC[NH3+])[C@@H](C)CCc1ccc(C)cc1 ZINC001171663591 974125854 /nfs/dbraw/zinc/12/58/54/974125854.db2.gz NLCZGOCPPYTTPX-HNNXBMFYSA-N 0 1 247.406 2.801 20 0 BFADMN Cc1ccc(CC[C@@H](C)N2CCOCC2)cc1 ZINC001171664858 974127452 /nfs/dbraw/zinc/12/74/52/974127452.db2.gz GPFZSBGPGGTJMV-CQSZACIVSA-N 0 1 233.355 2.648 20 0 BFADMN Cc1ccc(CC[C@H](C)N2CCC23COC3)cc1 ZINC001171680017 974135202 /nfs/dbraw/zinc/13/52/02/974135202.db2.gz OIDWTDPHKQOIFA-AWEZNQCLSA-N 0 1 245.366 2.791 20 0 BFADMN Cc1ccc(F)c(N2CCCC3(CN(C)C3)C2)c1 ZINC001277014541 974143933 /nfs/dbraw/zinc/14/39/33/974143933.db2.gz QTPDRFUVNLJKNF-UHFFFAOYSA-N 0 1 248.345 2.666 20 0 BFADMN C[C@]1(F)CCCCN(Cc2cccnc2)C1 ZINC001204072640 974169706 /nfs/dbraw/zinc/16/97/06/974169706.db2.gz PXWWPMXWYOFFOC-ZDUSSCGKSA-N 0 1 222.307 2.796 20 0 BFADMN C[C@@H]1C[C@@H](F)CN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171791558 974180591 /nfs/dbraw/zinc/18/05/91/974180591.db2.gz AOIMXPXHWJBMAC-YUSALJHKSA-N 0 1 237.293 2.725 20 0 BFADMN FC[C@H]1CCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171810543 974200084 /nfs/dbraw/zinc/20/00/84/974200084.db2.gz AUGFOTYJNCCNBT-NEPJUHHUSA-N 0 1 237.293 2.727 20 0 BFADMN Cc1nc(SCOC2CCCCC2)n[nH]1 ZINC001330305336 974219519 /nfs/dbraw/zinc/21/95/19/974219519.db2.gz DHTZSTFDLSWASS-UHFFFAOYSA-N 0 1 227.333 2.512 20 0 BFADMN Cc1n[nH]c(SCOC2CCCCC2)n1 ZINC001330305336 974219538 /nfs/dbraw/zinc/21/95/38/974219538.db2.gz DHTZSTFDLSWASS-UHFFFAOYSA-N 0 1 227.333 2.512 20 0 BFADMN CCN1CCC[C@H](Oc2c(F)cccc2F)C1 ZINC001225207941 974230867 /nfs/dbraw/zinc/23/08/67/974230867.db2.gz SRDIHUNMOCAUML-JTQLQIEISA-N 0 1 241.281 2.828 20 0 BFADMN C[C@]1(F)CCCCN(Cc2ccncc2)C1 ZINC001204080522 974259465 /nfs/dbraw/zinc/25/94/65/974259465.db2.gz PHXNSLQTVCXXBY-ZDUSSCGKSA-N 0 1 222.307 2.796 20 0 BFADMN Cc1cc(CN2CC([C@H]3CCC[C@@H](C)C3)C2)n[nH]1 ZINC001330640202 974380311 /nfs/dbraw/zinc/38/03/11/974380311.db2.gz XYKJOWLHSNPZSC-YPMHNXCESA-N 0 1 247.386 2.976 20 0 BFADMN Clc1sccc1CSCc1nnc[nH]1 ZINC001330685642 974413347 /nfs/dbraw/zinc/41/33/47/974413347.db2.gz RBLVTQROWKCFGT-UHFFFAOYSA-N 0 1 245.760 2.953 20 0 BFADMN c1nnc(CSCCCC2CCC2)[nH]1 ZINC001330686639 974415943 /nfs/dbraw/zinc/41/59/43/974415943.db2.gz ZGGVJBOKDOCDIR-UHFFFAOYSA-N 0 1 211.334 2.618 20 0 BFADMN FC1(F)CCCC[C@@H]1NC1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233816 974476235 /nfs/dbraw/zinc/47/62/35/974476235.db2.gz MYQYPEVXKVGAHR-YATPEIPISA-N 0 1 243.297 2.640 20 0 BFADMN F[C@@H]1CCN([C@H]2CSc3ccccc3C2)C1 ZINC001172196980 974484163 /nfs/dbraw/zinc/48/41/63/974484163.db2.gz RNJSXVGEISAPEK-VXGBXAGGSA-N 0 1 237.343 2.747 20 0 BFADMN CC[C@@H](C)OCC[C@H](C)NCC(C)(F)F ZINC001172316373 974523888 /nfs/dbraw/zinc/52/38/88/974523888.db2.gz NMJCFUKRYBRIQY-VHSXEESVSA-N 0 1 223.307 2.825 20 0 BFADMN CC[N@H+]1CCC[C@@H](Oc2ccc([S-])cc2)C1 ZINC001225555570 974552641 /nfs/dbraw/zinc/55/26/41/974552641.db2.gz OFCNCLZNYLLRND-GFCCVEGCSA-N 0 1 237.368 2.838 20 0 BFADMN [S-]c1ccccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001225587983 974574652 /nfs/dbraw/zinc/57/46/52/974574652.db2.gz NJIKAQWWKPGKOX-JTQLQIEISA-N 0 1 246.335 2.566 20 0 BFADMN CC[C@H](C)OCC[C@H](C)N1CCC(=O)C[C@@H]1C ZINC001172332346 974595554 /nfs/dbraw/zinc/59/55/54/974595554.db2.gz APGDORYKYZWIKZ-AVGNSLFASA-N 0 1 241.375 2.634 20 0 BFADMN C[C@@H]1CC[C@@H](NCc2ncc(F)cn2)C[C@@H]1C ZINC001172360658 974633728 /nfs/dbraw/zinc/63/37/28/974633728.db2.gz QFCWKGDMAUSUOR-JFGNBEQYSA-N 0 1 237.322 2.530 20 0 BFADMN C[C@@H]1CC[C@@H](N2C[C@@H](F)[C@H](F)C2)C[C@H]1C ZINC001172366005 974641938 /nfs/dbraw/zinc/64/19/38/974641938.db2.gz MNYAPMFAASTXPN-LZQZFOIKSA-N 0 1 217.303 2.803 20 0 BFADMN CC[C@@H](CC(C)C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001172402725 974655342 /nfs/dbraw/zinc/65/53/42/974655342.db2.gz WRNCGWHVNOAMDF-ZDUSSCGKSA-N 0 1 249.354 2.989 20 0 BFADMN CC[C@@H](CC(C)C)N[C@H](C(=O)OC)C(C)C ZINC001172387457 974734157 /nfs/dbraw/zinc/73/41/57/974734157.db2.gz WVQZZHLUDWVKGB-RYUDHWBXSA-N 0 1 229.364 2.598 20 0 BFADMN CC[C@H](CC(C)C)N1C[C@@H](F)[C@@H](F)C1 ZINC001172395631 974749403 /nfs/dbraw/zinc/74/94/03/974749403.db2.gz HIHAUUKJMMWWEU-MXWKQRLJSA-N 0 1 205.292 2.803 20 0 BFADMN CCCC[C@H](C)Oc1cccc2[nH]nnc21 ZINC001225990538 974750671 /nfs/dbraw/zinc/75/06/71/974750671.db2.gz BWMPFWZFRTUBPS-VIFPVBQESA-N 0 1 219.288 2.915 20 0 BFADMN C[C@H](Oc1cccc2[nH]nnc21)c1nccs1 ZINC001225991644 974755027 /nfs/dbraw/zinc/75/50/27/974755027.db2.gz FLOUWKXYSDAOBB-ZETCQYMHSA-N 0 1 246.295 2.554 20 0 BFADMN C[C@H](Oc1cccc2[nH]nnc21)C1CCCC1 ZINC001225990932 974755346 /nfs/dbraw/zinc/75/53/46/974755346.db2.gz NSTZVJJIDPCKGF-VIFPVBQESA-N 0 1 231.299 2.915 20 0 BFADMN CC(C)COCC[C@H](C)N1CC(OC(C)C)C1 ZINC001172485277 974788472 /nfs/dbraw/zinc/78/84/72/974788472.db2.gz VPXQUJOGITUSEQ-ZDUSSCGKSA-N 0 1 243.391 2.547 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccccc2)n1 ZINC001226157091 974810747 /nfs/dbraw/zinc/81/07/47/974810747.db2.gz WYBLOJBQLRMKHD-JTQLQIEISA-N 0 1 230.267 2.631 20 0 BFADMN Cc1cc(=O)[nH]c(OC2C[C@H](C)C[C@@H](C)C2)n1 ZINC001226155490 974811650 /nfs/dbraw/zinc/81/16/50/974811650.db2.gz FCUREHSYAKFWOU-RKDXNWHRSA-N 0 1 236.315 2.694 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccccc2F)n1 ZINC001226157407 974814585 /nfs/dbraw/zinc/81/45/85/974814585.db2.gz YIWVCUYMSGXIBA-VIFPVBQESA-N 0 1 248.257 2.770 20 0 BFADMN Cc1cc(=O)[nH]c(O[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC001226159496 974814883 /nfs/dbraw/zinc/81/48/83/974814883.db2.gz OFDZFEMJFNDOIU-DVVUODLYSA-N 0 1 236.315 2.694 20 0 BFADMN C[C@H]1CCC[C@H]1Oc1n[nH]c2ncccc12 ZINC001226299497 974850618 /nfs/dbraw/zinc/85/06/18/974850618.db2.gz BUVLATCVJNTCTN-WCBMZHEXSA-N 0 1 217.272 2.525 20 0 BFADMN c1cnc2[nH]nc(O[C@@H]3C[C@H]4CC[C@@H]3C4)c2c1 ZINC001226303314 974851188 /nfs/dbraw/zinc/85/11/88/974851188.db2.gz TYJVUPDXZOKHDR-IQJOONFLSA-N 0 1 229.283 2.525 20 0 BFADMN CCCC(CCC)Oc1nccc(=O)[nH]1 ZINC001226325307 974855634 /nfs/dbraw/zinc/85/56/34/974855634.db2.gz ZPUXAEISUSTRFB-UHFFFAOYSA-N 0 1 210.277 2.530 20 0 BFADMN Cc1ccccc1[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226323022 974856374 /nfs/dbraw/zinc/85/63/74/974856374.db2.gz BIIFYDUXZXCMEG-JTQLQIEISA-N 0 1 230.267 2.631 20 0 BFADMN Cc1ccc2c(c1)CC[C@H]2Oc1nccc(=O)[nH]1 ZINC001226322920 974857140 /nfs/dbraw/zinc/85/71/40/974857140.db2.gz AGAIINQPSMJDEG-GFCCVEGCSA-N 0 1 242.278 2.557 20 0 BFADMN C[C@@H](CCc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226324112 974857327 /nfs/dbraw/zinc/85/73/27/974857327.db2.gz IGBLAEZGOACMKJ-NSHDSACASA-N 0 1 244.294 2.582 20 0 BFADMN O=c1ccnc(OC2CCCCCCC2)[nH]1 ZINC001226326247 974858879 /nfs/dbraw/zinc/85/88/79/974858879.db2.gz JFJMAJIOFHKJSM-UHFFFAOYSA-N 0 1 222.288 2.674 20 0 BFADMN Cc1ccc([C@H](C)Oc2nccc(=O)[nH]2)c(C)c1 ZINC001226326866 974858952 /nfs/dbraw/zinc/85/89/52/974858952.db2.gz OQPSPFHDIGXOJY-NSHDSACASA-N 0 1 244.294 2.939 20 0 BFADMN Cc1ccc([C@@H](C)Oc2nccc(=O)[nH]2)cc1 ZINC001226326767 974859679 /nfs/dbraw/zinc/85/96/79/974859679.db2.gz NKHJNWXMXCWIJW-SNVBAGLBSA-N 0 1 230.267 2.631 20 0 BFADMN c1ccc([C@@H]2CC[C@H](N3CCOCC3)C2)cc1 ZINC001172559553 974869309 /nfs/dbraw/zinc/86/93/09/974869309.db2.gz ZKRLEODPMQFVNW-CABCVRRESA-N 0 1 231.339 2.655 20 0 BFADMN c1ccc([C@@H]2CC[C@H](N3CCO[C@H]4C[C@H]43)C2)cc1 ZINC001172570303 974872803 /nfs/dbraw/zinc/87/28/03/974872803.db2.gz VUYSJOFESXVBRQ-QXSJWSMHSA-N 0 1 243.350 2.796 20 0 BFADMN C=C/C=C\CC[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001331996337 974915195 /nfs/dbraw/zinc/91/51/95/974915195.db2.gz KADWWWFLPLAHIH-WAYWQWQTSA-N 0 1 249.310 2.850 20 0 BFADMN Cc1ccc2nc(OC[C@H]3CCC=CO3)[nH]c2c1 ZINC001226507372 974929865 /nfs/dbraw/zinc/92/98/65/974929865.db2.gz YVUOCURLYWFQLX-LLVKDONJSA-N 0 1 244.294 2.943 20 0 BFADMN Cc1ccc2nc(O[C@@H]3CCCCC3=O)[nH]c2c1 ZINC001226508972 974931482 /nfs/dbraw/zinc/93/14/82/974931482.db2.gz QQHJMKSWRUFORM-CYBMUJFWSA-N 0 1 244.294 2.762 20 0 BFADMN Cc1ccc2nc(O[C@H]3CCO[C@@H](C)C3)[nH]c2c1 ZINC001226507659 974931624 /nfs/dbraw/zinc/93/16/24/974931624.db2.gz CBKNJHROHCXVPS-QWRGUYRKSA-N 0 1 246.310 2.818 20 0 BFADMN CCO[C@@H](C)COc1nc2ccc(C)cc2[nH]1 ZINC001226509053 974932049 /nfs/dbraw/zinc/93/20/49/974932049.db2.gz SFPHGHFRDHVCMN-JTQLQIEISA-N 0 1 234.299 2.675 20 0 BFADMN Cc1ccc2c(c1)C[C@H](NCc1cocn1)CC2 ZINC001172834775 974954072 /nfs/dbraw/zinc/95/40/72/974954072.db2.gz JOCIGHVJYLVRMC-CQSZACIVSA-N 0 1 242.322 2.630 20 0 BFADMN CC(C)OC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001332141912 974972866 /nfs/dbraw/zinc/97/28/66/974972866.db2.gz MZUXHXGXTABWRQ-CYBMUJFWSA-N 0 1 239.359 2.593 20 0 BFADMN CC(C)OC(=O)CN1CCCC[C@@H]1C1CCC1 ZINC001332141912 974972873 /nfs/dbraw/zinc/97/28/73/974972873.db2.gz MZUXHXGXTABWRQ-CYBMUJFWSA-N 0 1 239.359 2.593 20 0 BFADMN CO[C@H]1CCC[C@H](N(C)Cc2cscn2)C1 ZINC001172946650 975002127 /nfs/dbraw/zinc/00/21/27/975002127.db2.gz VBRGUFMUMWNGFJ-RYUDHWBXSA-N 0 1 240.372 2.533 20 0 BFADMN CC(C)OCCOc1nc2ccc(F)cc2[nH]1 ZINC001226701036 975032817 /nfs/dbraw/zinc/03/28/17/975032817.db2.gz JSPUCRVNZCCOAU-UHFFFAOYSA-N 0 1 238.262 2.506 20 0 BFADMN COc1cccc(CSc2nnc(C)[nH]2)c1C ZINC001332285184 975041583 /nfs/dbraw/zinc/04/15/83/975041583.db2.gz QQGYSNLRZFRUBE-UHFFFAOYSA-N 0 1 249.339 2.722 20 0 BFADMN CCc1ccc(C[C@H](C)N2CC(OC)C2)cc1 ZINC001173252727 975091128 /nfs/dbraw/zinc/09/11/28/975091128.db2.gz 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