smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(CN[C@@H](C)c2ccccc2)n1 ZINC000000251545 179097838 /nfs/dbraw/zinc/09/78/38/179097838.db2.gz RZGMBXUKLMVWOP-ZDUSSCGKSA-N 0 1 226.323 3.241 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccccc2)n1 ZINC000000251550 179099897 /nfs/dbraw/zinc/09/98/97/179099897.db2.gz RZGMBXUKLMVWOP-CYBMUJFWSA-N 0 1 226.323 3.241 20 0 BGADMN Cc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000000280390 487742970 /nfs/dbraw/zinc/74/29/70/487742970.db2.gz GOHACZZJHHOXGO-UHFFFAOYSA-N 0 1 237.306 3.483 20 0 BGADMN CCN(CC)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000002019157 643401846 /nfs/dbraw/zinc/40/18/46/643401846.db2.gz YSLLMZDTVLWJAB-UHFFFAOYSA-N 0 1 248.370 3.090 20 0 BGADMN CCN(CC)Cc1cc(-c2ccccc2)on1 ZINC000002039742 368742679 /nfs/dbraw/zinc/74/26/79/368742679.db2.gz GWDGRXARTLNVDS-UHFFFAOYSA-N 0 1 230.311 3.183 20 0 BGADMN CN(CCF)Cc1cccc2ccccc21 ZINC000002040830 342715055 /nfs/dbraw/zinc/71/50/55/342715055.db2.gz MXQCXRIBPVYRJN-UHFFFAOYSA-N 0 1 217.287 3.241 20 0 BGADMN CCCSc1nc2ccc(OC)cc2[nH]1 ZINC000003534295 169341973 /nfs/dbraw/zinc/34/19/73/169341973.db2.gz TYVFYXGXKSBOIK-UHFFFAOYSA-N 0 1 222.313 3.074 20 0 BGADMN Cc1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000003708669 178330790 /nfs/dbraw/zinc/33/07/90/178330790.db2.gz PAPDZNJNSWRFBJ-VIFPVBQESA-N 0 1 218.325 3.138 20 0 BGADMN Cc1ccc(-c2csc([C@H](C)N)n2)c(C)c1 ZINC000003708689 178330521 /nfs/dbraw/zinc/33/05/21/178330521.db2.gz BELJRLTWLDPDSJ-JTQLQIEISA-N 0 1 232.352 3.447 20 0 BGADMN Cc1ccc(C)c(-c2csc([C@H](C)N)n2)c1 ZINC000003708691 178460681 /nfs/dbraw/zinc/46/06/81/178460681.db2.gz LFWAQXNRHIBFLI-JTQLQIEISA-N 0 1 232.352 3.447 20 0 BGADMN CCc1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000003708721 350117782 /nfs/dbraw/zinc/11/77/82/350117782.db2.gz WEKHDZQZWBROPW-VIFPVBQESA-N 0 1 232.352 3.392 20 0 BGADMN Cc1ccc(-c2csc([C@H](C)N)n2)cc1C ZINC000003708725 178330785 /nfs/dbraw/zinc/33/07/85/178330785.db2.gz LRJWZRPAPTUYQW-JTQLQIEISA-N 0 1 232.352 3.447 20 0 BGADMN CCOc1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000003708747 356042404 /nfs/dbraw/zinc/04/24/04/356042404.db2.gz GYKDSDFMAMWTTG-VIFPVBQESA-N 0 1 248.351 3.229 20 0 BGADMN Cc1ccccc1-c1csc([C@H](C)N)n1 ZINC000003709035 179236278 /nfs/dbraw/zinc/23/62/78/179236278.db2.gz RHONGIKIRZCGLL-VIFPVBQESA-N 0 1 218.325 3.138 20 0 BGADMN Cc1ccc(-c2csc([C@H](C)N)n2)s1 ZINC000003709081 178330575 /nfs/dbraw/zinc/33/05/75/178330575.db2.gz JETKFRAFAPDVDT-ZETCQYMHSA-N 0 1 224.354 3.200 20 0 BGADMN C[C@H](N)c1nc(C2CCCCC2)cs1 ZINC000003709138 356042082 /nfs/dbraw/zinc/04/20/82/356042082.db2.gz YFKIZMZCTOEUBW-QMMMGPOBSA-N 0 1 210.346 3.211 20 0 BGADMN c1ccc2nc(N=NCc3ccncc3)ccc2c1 ZINC000004062419 636339510 /nfs/dbraw/zinc/33/95/10/636339510.db2.gz XFJYFGPKADPPTR-UHFFFAOYSA-N 0 1 248.289 3.076 20 0 BGADMN COc1ccc2nc(SCC(C)C)[nH]c2c1 ZINC000004274185 175229177 /nfs/dbraw/zinc/22/91/77/175229177.db2.gz ZEGLOXZHHNZQFC-UHFFFAOYSA-N 0 1 236.340 3.320 20 0 BGADMN CSCCSc1nc2ccc(C)cc2[nH]1 ZINC000004486014 587975581 /nfs/dbraw/zinc/97/55/81/587975581.db2.gz FBAKOKZJCFKZMF-UHFFFAOYSA-N 0 1 238.381 3.326 20 0 BGADMN c1coc(CN[C@H]2CCCc3ccccc32)c1 ZINC000004873143 384181737 /nfs/dbraw/zinc/18/17/37/384181737.db2.gz WBDNMHFSCQOPPE-HNNXBMFYSA-N 0 1 227.307 3.447 20 0 BGADMN c1coc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000004873149 344755059 /nfs/dbraw/zinc/75/50/59/344755059.db2.gz WBDNMHFSCQOPPE-OAHLLOKOSA-N 0 1 227.307 3.447 20 0 BGADMN Cc1ccnc(NCCc2ccccc2)c1 ZINC000005423015 384781657 /nfs/dbraw/zinc/78/16/57/384781657.db2.gz KTYOGIZJVWRANO-UHFFFAOYSA-N 0 1 212.296 3.045 20 0 BGADMN CCCNC(=S)Nc1ccccc1SC ZINC000006333732 635366761 /nfs/dbraw/zinc/36/67/61/635366761.db2.gz IXIBNLXNGWOQDH-UHFFFAOYSA-N 0 1 240.397 3.105 20 0 BGADMN Cc1ccc2nc(SC[C@@H]3CCCO3)[nH]c2c1 ZINC000006813353 342783757 /nfs/dbraw/zinc/78/37/57/342783757.db2.gz LHFGTCNIMQELDJ-JTQLQIEISA-N 0 1 248.351 3.142 20 0 BGADMN Cc1ccc2nc(SC[C@H]3CCCO3)[nH]c2c1 ZINC000006813354 342783802 /nfs/dbraw/zinc/78/38/02/342783802.db2.gz LHFGTCNIMQELDJ-SNVBAGLBSA-N 0 1 248.351 3.142 20 0 BGADMN CCCCSc1nc2ccc(OC)cc2[nH]1 ZINC000007219933 342742216 /nfs/dbraw/zinc/74/22/16/342742216.db2.gz SUMJDTVJSTZJFC-UHFFFAOYSA-N 0 1 236.340 3.464 20 0 BGADMN CC[C@@H](C)Sc1nc(Cc2ccccc2)n[nH]1 ZINC000009031111 355365424 /nfs/dbraw/zinc/36/54/24/355365424.db2.gz YXHVJVGWLXUKCV-SNVBAGLBSA-N 0 1 247.367 3.286 20 0 BGADMN CC[C@H](C)Sc1nc(Cc2ccccc2)n[nH]1 ZINC000009031113 355365342 /nfs/dbraw/zinc/36/53/42/355365342.db2.gz YXHVJVGWLXUKCV-JTQLQIEISA-N 0 1 247.367 3.286 20 0 BGADMN Cc1cc(-c2csc([C@H](C)N)n2)ccc1F ZINC000011631714 346874147 /nfs/dbraw/zinc/87/41/47/346874147.db2.gz SBZMFMNDXBNWGV-QMMMGPOBSA-N 0 1 236.315 3.277 20 0 BGADMN COc1ccc(C)cc1-c1csc([C@H](C)N)n1 ZINC000011631716 175072461 /nfs/dbraw/zinc/07/24/61/175072461.db2.gz MPDYITDSGJAEOR-VIFPVBQESA-N 0 1 248.351 3.147 20 0 BGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000011802468 177117160 /nfs/dbraw/zinc/11/71/60/177117160.db2.gz FNCHFTMODXGNGB-TXEJJXNPSA-N 0 1 247.338 3.148 20 0 BGADMN C[N@@H+](Cc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000011802749 487889113 /nfs/dbraw/zinc/88/91/13/487889113.db2.gz IKCWYVYICHPPGK-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000011889204 177116968 /nfs/dbraw/zinc/11/69/68/177116968.db2.gz IROQCHMWAUANHX-TXEJJXNPSA-N 0 1 247.338 3.148 20 0 BGADMN CCCC[N@@H+](CC)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000011889284 387040945 /nfs/dbraw/zinc/04/09/45/387040945.db2.gz IIWFNXJKBWAPBA-JTQLQIEISA-N 0 1 239.315 3.161 20 0 BGADMN CCCC[N@@H+](CC)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000011889288 387040846 /nfs/dbraw/zinc/04/08/46/387040846.db2.gz IIWFNXJKBWAPBA-SNVBAGLBSA-N 0 1 239.315 3.161 20 0 BGADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000011889735 645644907 /nfs/dbraw/zinc/64/49/07/645644907.db2.gz PRXNKLZSSHJWPV-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN CC[C@@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000011890232 357458371 /nfs/dbraw/zinc/45/83/71/357458371.db2.gz TYJUMDTXAZNHOC-CYBMUJFWSA-N 0 1 247.338 3.149 20 0 BGADMN CC[C@H]1CCCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000011890235 357458013 /nfs/dbraw/zinc/45/80/13/357458013.db2.gz TYJUMDTXAZNHOC-ZDUSSCGKSA-N 0 1 247.338 3.149 20 0 BGADMN CCCC[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000011961480 356421455 /nfs/dbraw/zinc/42/14/55/356421455.db2.gz JWIBSPIQCPQJOI-UHFFFAOYSA-N 0 1 235.327 3.007 20 0 BGADMN CCCC[N@@H+](CC)Cc1cccc(C(=O)[O-])c1 ZINC000011961977 342845310 /nfs/dbraw/zinc/84/53/10/342845310.db2.gz GLFITQFCPSUNRT-UHFFFAOYSA-N 0 1 235.327 3.007 20 0 BGADMN CCCC[N@@H+](CC)Cc1ccccc1C(=O)[O-] ZINC000011962299 487942559 /nfs/dbraw/zinc/94/25/59/487942559.db2.gz MLCOXVJQRWAOSR-UHFFFAOYSA-N 0 1 235.327 3.007 20 0 BGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000011962598 384304284 /nfs/dbraw/zinc/30/42/84/384304284.db2.gz ATVLJTFLFPPFSV-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000011993107 177117293 /nfs/dbraw/zinc/11/72/93/177117293.db2.gz UVHASIWNLHMCTG-TXEJJXNPSA-N 0 1 247.338 3.148 20 0 BGADMN CC(C)(C)c1nc(SCc2ccccc2)n[nH]1 ZINC000012254319 384310833 /nfs/dbraw/zinc/31/08/33/384310833.db2.gz MKJLXGHPWMHPFI-UHFFFAOYSA-N 0 1 247.367 3.395 20 0 BGADMN CC(C)(C)c1n[nH]c(SCc2ccccc2)n1 ZINC000012254319 384310827 /nfs/dbraw/zinc/31/08/27/384310827.db2.gz MKJLXGHPWMHPFI-UHFFFAOYSA-N 0 1 247.367 3.395 20 0 BGADMN CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834478 367930631 /nfs/dbraw/zinc/93/06/31/367930631.db2.gz HLDKUOZOKDKLLA-CMDGGOBGSA-N 0 1 231.324 3.087 20 0 BGADMN CCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834485 367930236 /nfs/dbraw/zinc/93/02/36/367930236.db2.gz NFPQEXLOKGBKDN-CMDGGOBGSA-N 0 1 245.351 3.477 20 0 BGADMN Cc1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000012992215 342862626 /nfs/dbraw/zinc/86/26/26/342862626.db2.gz YLZFLUULUJRNSY-UHFFFAOYSA-N 0 1 245.351 3.283 20 0 BGADMN Cc1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000012992215 342862625 /nfs/dbraw/zinc/86/26/25/342862625.db2.gz YLZFLUULUJRNSY-UHFFFAOYSA-N 0 1 245.351 3.283 20 0 BGADMN FC(F)(F)c1cccc(CN2CCCC2)c1 ZINC000014193445 385465334 /nfs/dbraw/zinc/46/53/34/385465334.db2.gz LODDUFACYJCNNC-UHFFFAOYSA-N 0 1 229.245 3.301 20 0 BGADMN c1sc(-c2ccccc2)nc1CN1CCCC1 ZINC000014193477 183381902 /nfs/dbraw/zinc/38/19/02/183381902.db2.gz JPAHEMBIMFXPIU-UHFFFAOYSA-N 0 1 244.363 3.406 20 0 BGADMN Fc1cccc(CN2CCc3ccccc3C2)c1 ZINC000014217347 342878209 /nfs/dbraw/zinc/87/82/09/342878209.db2.gz PNAIYGLBPLNYHF-UHFFFAOYSA-N 0 1 241.309 3.384 20 0 BGADMN CC(C)c1cc2[nH]ncc2c(Br)c1 ZINC000014985805 384412801 /nfs/dbraw/zinc/41/28/01/384412801.db2.gz NYDJQPUBMSAYTO-UHFFFAOYSA-N 0 1 239.116 3.449 20 0 BGADMN CC(C)CSc1nc(-c2ccccc2)n[nH]1 ZINC000016049484 344285255 /nfs/dbraw/zinc/28/52/55/344285255.db2.gz RQIMTQIILGPQIZ-UHFFFAOYSA-N 0 1 233.340 3.220 20 0 BGADMN Clc1ccc(CN2CCCCCC2)cn1 ZINC000019273683 342944932 /nfs/dbraw/zinc/94/49/32/342944932.db2.gz AGGVYVAENQFVEE-UHFFFAOYSA-N 0 1 224.735 3.111 20 0 BGADMN C[C@@H](NCc1ccco1)c1cccc(F)c1 ZINC000019391717 347217076 /nfs/dbraw/zinc/21/70/76/347217076.db2.gz SDBRALQUJVQBSW-SNVBAGLBSA-N 0 1 219.259 3.270 20 0 BGADMN C[C@H](NCc1ccco1)c1cccc(F)c1 ZINC000019391720 384773873 /nfs/dbraw/zinc/77/38/73/384773873.db2.gz SDBRALQUJVQBSW-JTQLQIEISA-N 0 1 219.259 3.270 20 0 BGADMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Cl)nc2)C1 ZINC000019392665 176362070 /nfs/dbraw/zinc/36/20/70/176362070.db2.gz KHPDNAQLUNPSIX-GHMZBOCLSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@@H]1C[C@H](C)CN(Cc2ccc(Cl)nc2)C1 ZINC000019392668 177315230 /nfs/dbraw/zinc/31/52/30/177315230.db2.gz KHPDNAQLUNPSIX-PHIMTYICSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@H]1C[C@H](C)CN(Cc2ccc(Cl)nc2)C1 ZINC000019392673 177358645 /nfs/dbraw/zinc/35/86/45/177358645.db2.gz KHPDNAQLUNPSIX-QWRGUYRKSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(Cl)nc1 ZINC000019395721 176116688 /nfs/dbraw/zinc/11/66/88/176116688.db2.gz MCHSCCJESYYGEA-GHMZBOCLSA-N 0 1 238.762 3.498 20 0 BGADMN C[C@@H]1CCC[C@H](C)N1Cc1ccc(Cl)nc1 ZINC000019395724 177117366 /nfs/dbraw/zinc/11/73/66/177117366.db2.gz MCHSCCJESYYGEA-PHIMTYICSA-N 0 1 238.762 3.498 20 0 BGADMN C[C@H]1CCC[C@H](C)N1Cc1ccc(Cl)nc1 ZINC000019395728 177132111 /nfs/dbraw/zinc/13/21/11/177132111.db2.gz MCHSCCJESYYGEA-QWRGUYRKSA-N 0 1 238.762 3.498 20 0 BGADMN O=C(Nc1ccccc1)c1ccc(Cl)cc1O ZINC000019836924 182377611 /nfs/dbraw/zinc/37/76/11/182377611.db2.gz CHMIAXQNCKWYOI-UHFFFAOYSA-N 0 1 247.681 3.298 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1 ZINC000019878271 342960925 /nfs/dbraw/zinc/96/09/25/342960925.db2.gz FLHJEJWJIZRYOL-OLZOCXBDSA-N 0 1 226.323 3.493 20 0 BGADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccccc1 ZINC000019878273 384550359 /nfs/dbraw/zinc/55/03/59/384550359.db2.gz FLHJEJWJIZRYOL-STQMWFEESA-N 0 1 226.323 3.493 20 0 BGADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccccc1 ZINC000019878275 342960853 /nfs/dbraw/zinc/96/08/53/342960853.db2.gz FLHJEJWJIZRYOL-CHWSQXEVSA-N 0 1 226.323 3.493 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccccn1 ZINC000019878277 342960979 /nfs/dbraw/zinc/96/09/79/342960979.db2.gz FLHJEJWJIZRYOL-QWHCGFSZSA-N 0 1 226.323 3.493 20 0 BGADMN Fc1ccc(CNCc2ccccc2)c(F)c1 ZINC000019886002 180968659 /nfs/dbraw/zinc/96/86/59/180968659.db2.gz AMIGOYQOSZETPW-UHFFFAOYSA-N 0 1 233.261 3.255 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccccc2)o1 ZINC000019899519 384553834 /nfs/dbraw/zinc/55/38/34/384553834.db2.gz IIBIHPNLZBEAHH-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1ccc([C@H](C)NCc2ccccc2)o1 ZINC000019899520 384553743 /nfs/dbraw/zinc/55/37/43/384553743.db2.gz IIBIHPNLZBEAHH-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN Oc1ccc(CNCc2ccccc2Cl)cc1 ZINC000019908168 183270764 /nfs/dbraw/zinc/27/07/64/183270764.db2.gz COQGETAZLCPZOE-UHFFFAOYSA-N 0 1 247.725 3.335 20 0 BGADMN COc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000019909085 175109214 /nfs/dbraw/zinc/10/92/14/175109214.db2.gz LSXFFXVYIQZFNV-NSHDSACASA-N 0 1 231.295 3.139 20 0 BGADMN COc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000019909087 175111338 /nfs/dbraw/zinc/11/13/38/175111338.db2.gz LSXFFXVYIQZFNV-LLVKDONJSA-N 0 1 231.295 3.139 20 0 BGADMN COc1ccc(CN[C@@H](C)c2ccc(C)o2)cc1 ZINC000019909109 175109481 /nfs/dbraw/zinc/10/94/81/175109481.db2.gz AAJUQJRKQIHYEG-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc(CN[C@H](C)c2ccc(C)o2)cc1 ZINC000019909111 175110695 /nfs/dbraw/zinc/11/06/95/175110695.db2.gz AAJUQJRKQIHYEG-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN C[C@@H](NCc1ccc(F)cc1)c1ccccn1 ZINC000019943644 387065668 /nfs/dbraw/zinc/06/56/68/387065668.db2.gz KJNWFXVMBLVXQO-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1ccc(F)cc1)c1ccccn1 ZINC000019943648 387065848 /nfs/dbraw/zinc/06/58/48/387065848.db2.gz KJNWFXVMBLVXQO-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1ccc(F)cc1)c1cccnc1 ZINC000019943661 387064779 /nfs/dbraw/zinc/06/47/79/387064779.db2.gz TVOZSOWYKAXULT-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1ccc(F)cc1)c1cccnc1 ZINC000019943665 387066260 /nfs/dbraw/zinc/06/62/60/387066260.db2.gz TVOZSOWYKAXULT-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1ccc(F)cc1)c1ccco1 ZINC000019943724 387066354 /nfs/dbraw/zinc/06/63/54/387066354.db2.gz XEFCGUVBNPOQIQ-SNVBAGLBSA-N 0 1 219.259 3.270 20 0 BGADMN C[C@H](NCc1ccc(F)cc1)c1ccco1 ZINC000019943727 387065722 /nfs/dbraw/zinc/06/57/22/387065722.db2.gz XEFCGUVBNPOQIQ-JTQLQIEISA-N 0 1 219.259 3.270 20 0 BGADMN C[C@@H](NCc1ccc(F)cc1)c1cccc(O)c1 ZINC000019943862 387064669 /nfs/dbraw/zinc/06/46/69/387064669.db2.gz HOWYSSBKZBDYEO-LLVKDONJSA-N 0 1 245.297 3.382 20 0 BGADMN C[C@H](NCc1ccc(F)cc1)c1cccc(O)c1 ZINC000019943864 386831245 /nfs/dbraw/zinc/83/12/45/386831245.db2.gz HOWYSSBKZBDYEO-NSHDSACASA-N 0 1 245.297 3.382 20 0 BGADMN COc1cccc(CNCc2ccccc2F)c1 ZINC000019949619 175266224 /nfs/dbraw/zinc/26/62/24/175266224.db2.gz BTVPUFFVMIHRQU-UHFFFAOYSA-N 0 1 245.297 3.124 20 0 BGADMN Cc1cccc(CNCc2ccccc2F)c1 ZINC000019949648 179095991 /nfs/dbraw/zinc/09/59/91/179095991.db2.gz RRWUZAHETPLQMG-UHFFFAOYSA-N 0 1 229.298 3.424 20 0 BGADMN Cc1ccsc1CNCc1ccccc1F ZINC000019949713 356994453 /nfs/dbraw/zinc/99/44/53/356994453.db2.gz CVRYBYRMVDZJCK-UHFFFAOYSA-N 0 1 235.327 3.485 20 0 BGADMN Fc1ccccc1CNCc1ccsc1 ZINC000019949723 181012685 /nfs/dbraw/zinc/01/26/85/181012685.db2.gz WEWHEEUVJSLTOO-UHFFFAOYSA-N 0 1 221.300 3.177 20 0 BGADMN C[C@@H](NCc1ccccc1F)c1ccncc1 ZINC000019949955 350882145 /nfs/dbraw/zinc/88/21/45/350882145.db2.gz BJBSAGNQYYHZQS-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1ccccc1F)c1ccncc1 ZINC000019949958 385602429 /nfs/dbraw/zinc/60/24/29/385602429.db2.gz BJBSAGNQYYHZQS-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1ccccc1F)c1cccnc1 ZINC000019949962 350882102 /nfs/dbraw/zinc/88/21/02/350882102.db2.gz DXNLLPJDXGIQNF-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1ccccc1F)c1cccnc1 ZINC000019949966 385602078 /nfs/dbraw/zinc/60/20/78/385602078.db2.gz DXNLLPJDXGIQNF-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1ccccc1F)c1cccc(O)c1 ZINC000019950220 350882050 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238.743 3.086 20 0 BGADMN C[C@@H](NCc1cccnc1)c1ccccc1F ZINC000020140833 356998677 /nfs/dbraw/zinc/99/86/77/356998677.db2.gz IRLPLRIVNQVRQW-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1cccnc1)c1ccccc1F ZINC000020140836 176878380 /nfs/dbraw/zinc/87/83/80/176878380.db2.gz IRLPLRIVNQVRQW-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1cccnc1)c1ccc(F)cc1 ZINC000020140839 356998819 /nfs/dbraw/zinc/99/88/19/356998819.db2.gz WVAUCAPMVBIPJE-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1cccnc1)c1ccc(F)cc1 ZINC000020140842 387073932 /nfs/dbraw/zinc/07/39/32/387073932.db2.gz WVAUCAPMVBIPJE-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1cccnc1)c1ccc(F)c(F)c1 ZINC000020141030 351983588 /nfs/dbraw/zinc/98/35/88/351983588.db2.gz YWWGFXRITILBIS-SNVBAGLBSA-N 0 1 248.276 3.211 20 0 BGADMN C[C@H](NCc1cccnc1)c1ccc(F)c(F)c1 ZINC000020141033 385833442 /nfs/dbraw/zinc/83/34/42/385833442.db2.gz YWWGFXRITILBIS-JTQLQIEISA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1cccnc1)c1cccc(F)c1 ZINC000020141170 356998525 /nfs/dbraw/zinc/99/85/25/356998525.db2.gz ZDGXVVCXAMXRPN-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1cccnc1)c1cccc(F)c1 ZINC000020141172 387075007 /nfs/dbraw/zinc/07/50/07/387075007.db2.gz ZDGXVVCXAMXRPN-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN c1c2ccccc2oc1CNCc1cccnc1 ZINC000020141270 385833612 /nfs/dbraw/zinc/83/36/12/385833612.db2.gz DIFBWFLPPXLWFZ-UHFFFAOYSA-N 0 1 238.290 3.118 20 0 BGADMN Clc1ccc(CNCc2cccnc2)s1 ZINC000020141276 347409793 /nfs/dbraw/zinc/40/97/93/347409793.db2.gz NNIDQEZWWLDOOY-UHFFFAOYSA-N 0 1 238.743 3.086 20 0 BGADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccccn1 ZINC000020204275 342976777 /nfs/dbraw/zinc/97/67/77/342976777.db2.gz NTYVZTQGPSJIDQ-BXUZGUMPSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccccn1 ZINC000020204277 384600088 /nfs/dbraw/zinc/60/00/88/384600088.db2.gz NTYVZTQGPSJIDQ-SMDDNHRTSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccccn1 ZINC000020204280 342976444 /nfs/dbraw/zinc/97/64/44/342976444.db2.gz NTYVZTQGPSJIDQ-RISCZKNCSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@H](N[C@H]1CCCc2occc21)c1ccccn1 ZINC000020204283 342976562 /nfs/dbraw/zinc/97/65/62/342976562.db2.gz NTYVZTQGPSJIDQ-FZMZJTMJSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccncc1 ZINC000020204286 342976763 /nfs/dbraw/zinc/97/67/63/342976763.db2.gz NOLQRLYNLZDWJJ-BXUZGUMPSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccncc1 ZINC000020204289 384599627 /nfs/dbraw/zinc/59/96/27/384599627.db2.gz NOLQRLYNLZDWJJ-SMDDNHRTSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccncc1 ZINC000020204292 342976757 /nfs/dbraw/zinc/97/67/57/342976757.db2.gz NOLQRLYNLZDWJJ-RISCZKNCSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@H](N[C@H]1CCCc2occc21)c1ccncc1 ZINC000020204295 342976542 /nfs/dbraw/zinc/97/65/42/342976542.db2.gz NOLQRLYNLZDWJJ-FZMZJTMJSA-N 0 1 242.322 3.403 20 0 BGADMN C[C@@H](N[C@@H]1CCCc2occc21)c1cccnc1 ZINC000020204298 342976619 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MWSWRMBCDXNBES-UHFFFAOYSA-N 0 1 247.725 3.335 20 0 BGADMN c1coc(CNCc2ccc3ncccc3c2)c1 ZINC000020248304 259392588 /nfs/dbraw/zinc/39/25/88/259392588.db2.gz CTMAXMXIYUOXGD-UHFFFAOYSA-N 0 1 238.290 3.118 20 0 BGADMN Cc1noc(C)c1CN[C@H](C)c1ccccc1 ZINC000020252794 384605538 /nfs/dbraw/zinc/60/55/38/384605538.db2.gz IISVDIKLGYGFCD-SNVBAGLBSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1noc(C)c1CN[C@@H](C)c1ccccc1 ZINC000020252795 384605504 /nfs/dbraw/zinc/60/55/04/384605504.db2.gz IISVDIKLGYGFCD-JTQLQIEISA-N 0 1 230.311 3.142 20 0 BGADMN Cc1noc(C)c1CN[C@H](C)c1ccc(F)cc1 ZINC000020253134 180474664 /nfs/dbraw/zinc/47/46/64/180474664.db2.gz UVAULBMMBSLBTE-SECBINFHSA-N 0 1 248.301 3.281 20 0 BGADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(F)cc1 ZINC000020253135 384607538 /nfs/dbraw/zinc/60/75/38/384607538.db2.gz UVAULBMMBSLBTE-VIFPVBQESA-N 0 1 248.301 3.281 20 0 BGADMN Cc1noc(C)c1CN[C@H](C)c1ccccc1C ZINC000020253212 179322170 /nfs/dbraw/zinc/32/21/70/179322170.db2.gz YBLALVMKOODHTF-LLVKDONJSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1noc(C)c1CN[C@@H](C)c1ccccc1C ZINC000020253213 179339062 /nfs/dbraw/zinc/33/90/62/179339062.db2.gz YBLALVMKOODHTF-NSHDSACASA-N 0 1 244.338 3.451 20 0 BGADMN Cc1noc(C)c1CN[C@@H]1CCc2ccccc21 ZINC000020253246 384605837 /nfs/dbraw/zinc/60/58/37/384605837.db2.gz ZRWMXQTZWSGKKE-OAHLLOKOSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1noc(C)c1CN[C@H]1CCc2ccccc21 ZINC000020253247 384605149 /nfs/dbraw/zinc/60/51/49/384605149.db2.gz ZRWMXQTZWSGKKE-HNNXBMFYSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1noc(C)c1CN[C@H](C)c1cccc(F)c1 ZINC000020253357 259392799 /nfs/dbraw/zinc/39/27/99/259392799.db2.gz MVDYFRZLPAZTNA-SECBINFHSA-N 0 1 248.301 3.281 20 0 BGADMN Cc1noc(C)c1CN[C@@H](C)c1cccc(F)c1 ZINC000020253358 259392843 /nfs/dbraw/zinc/39/28/43/259392843.db2.gz MVDYFRZLPAZTNA-VIFPVBQESA-N 0 1 248.301 3.281 20 0 BGADMN C[C@@H](NCc1cccc(F)c1)c1ccco1 ZINC000020306497 387087638 /nfs/dbraw/zinc/08/76/38/387087638.db2.gz CDBUMJGXMXARJZ-SNVBAGLBSA-N 0 1 219.259 3.270 20 0 BGADMN C[C@H](NCc1cccc(F)c1)c1ccco1 ZINC000020306499 387085830 /nfs/dbraw/zinc/08/58/30/387085830.db2.gz CDBUMJGXMXARJZ-JTQLQIEISA-N 0 1 219.259 3.270 20 0 BGADMN Cc1cc([C@@H](C)NCc2ccncc2)c(C)o1 ZINC000020439096 178228714 /nfs/dbraw/zinc/22/87/14/178228714.db2.gz UCUWAUFWDSTRTL-LLVKDONJSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc([C@H](C)NCc2ccncc2)c(C)o1 ZINC000020439100 178251668 /nfs/dbraw/zinc/25/16/68/178251668.db2.gz UCUWAUFWDSTRTL-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc([C@@H](C)NCc2cccnc2)c(C)o1 ZINC000020439105 178229392 /nfs/dbraw/zinc/22/93/92/178229392.db2.gz LEAMYCUHDKQIEO-LLVKDONJSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc([C@H](C)NCc2cccnc2)c(C)o1 ZINC000020439109 178251602 /nfs/dbraw/zinc/25/16/02/178251602.db2.gz LEAMYCUHDKQIEO-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN C[C@@H](NCc1cccc(F)c1)c1cccc(O)c1 ZINC000020473384 357009593 /nfs/dbraw/zinc/00/95/93/357009593.db2.gz ZYDHQKQYIYROFG-LLVKDONJSA-N 0 1 245.297 3.382 20 0 BGADMN C[C@H](NCc1cccc(F)c1)c1cccc(O)c1 ZINC000020473385 387100740 /nfs/dbraw/zinc/10/07/40/387100740.db2.gz ZYDHQKQYIYROFG-NSHDSACASA-N 0 1 245.297 3.382 20 0 BGADMN CC(C)[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000020474636 385471769 /nfs/dbraw/zinc/47/17/69/385471769.db2.gz PARJTTFEJIYDCT-UHFFFAOYSA-N 0 1 249.354 3.152 20 0 BGADMN Cc1ccc(CNCc2ccco2)c(C)c1 ZINC000021960606 343030565 /nfs/dbraw/zinc/03/05/65/343030565.db2.gz RZDOFEXBTKAWDU-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1ccccc1[C@@H](C)NCc1ccco1 ZINC000021963999 179320944 /nfs/dbraw/zinc/32/09/44/179320944.db2.gz DVLUEMYQPCDDTQ-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1ccccc1[C@H](C)NCc1ccco1 ZINC000021964005 179339252 /nfs/dbraw/zinc/33/92/52/179339252.db2.gz DVLUEMYQPCDDTQ-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN c1coc(CN[C@@H]2CCc3ccccc32)c1 ZINC000021967328 384711970 /nfs/dbraw/zinc/71/19/70/384711970.db2.gz CBGJHVKODGHDAP-CQSZACIVSA-N 0 1 213.280 3.057 20 0 BGADMN c1coc(CN[C@H]2CCc3ccccc32)c1 ZINC000021967333 187253971 /nfs/dbraw/zinc/25/39/71/187253971.db2.gz CBGJHVKODGHDAP-AWEZNQCLSA-N 0 1 213.280 3.057 20 0 BGADMN COc1cccc([C@@H](C)NCc2ccco2)c1 ZINC000022141932 175286986 /nfs/dbraw/zinc/28/69/86/175286986.db2.gz JTUHCZKDWBCQJA-LLVKDONJSA-N 0 1 231.295 3.139 20 0 BGADMN COc1cccc([C@H](C)NCc2ccco2)c1 ZINC000022141935 175293454 /nfs/dbraw/zinc/29/34/54/175293454.db2.gz JTUHCZKDWBCQJA-NSHDSACASA-N 0 1 231.295 3.139 20 0 BGADMN C[C@@H](NCc1ccco1)c1ccc(F)cc1 ZINC000022143530 351045575 /nfs/dbraw/zinc/04/55/75/351045575.db2.gz HTUTYIMQEPCQCQ-SNVBAGLBSA-N 0 1 219.259 3.270 20 0 BGADMN C[C@H](NCc1ccco1)c1ccc(F)cc1 ZINC000022143531 385767769 /nfs/dbraw/zinc/76/77/69/385767769.db2.gz HTUTYIMQEPCQCQ-JTQLQIEISA-N 0 1 219.259 3.270 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000022149233 387266629 /nfs/dbraw/zinc/26/66/29/387266629.db2.gz LSEADKPFTJNJJL-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000022149237 387266711 /nfs/dbraw/zinc/26/67/11/387266711.db2.gz LSEADKPFTJNJJL-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN 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/nfs/dbraw/zinc/01/30/44/181013044.db2.gz SZZDEFSKXWEYSE-UHFFFAOYSA-N 0 1 249.314 3.114 20 0 BGADMN Fc1ccccc1CSc1nc(C2CC2)n[nH]1 ZINC000022545853 181013041 /nfs/dbraw/zinc/01/30/41/181013041.db2.gz SZZDEFSKXWEYSE-UHFFFAOYSA-N 0 1 249.314 3.114 20 0 BGADMN C(Sc1n[nH]c(C2CC2)n1)C1CCCCC1 ZINC000022546120 367984205 /nfs/dbraw/zinc/98/42/05/367984205.db2.gz NEJLOYIDNUZASP-UHFFFAOYSA-N 0 1 237.372 3.355 20 0 BGADMN C(Sc1nc(C2CC2)n[nH]1)C1CCCCC1 ZINC000022546120 367984198 /nfs/dbraw/zinc/98/41/98/367984198.db2.gz NEJLOYIDNUZASP-UHFFFAOYSA-N 0 1 237.372 3.355 20 0 BGADMN CCN(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000023171104 344132717 /nfs/dbraw/zinc/13/27/17/344132717.db2.gz HRWDWIGCGNROBZ-UHFFFAOYSA-N 0 1 244.313 3.243 20 0 BGADMN CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000026439901 357117909 /nfs/dbraw/zinc/11/79/09/357117909.db2.gz RFYLKZRYWKWNLK-UHFFFAOYSA-N 0 1 232.230 3.304 20 0 BGADMN Fc1cccc(CNCc2ccsc2)c1 ZINC000026514790 350279036 /nfs/dbraw/zinc/27/90/36/350279036.db2.gz GFINOAQTVXAFCI-UHFFFAOYSA-N 0 1 221.300 3.177 20 0 BGADMN Cc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1 ZINC000027856266 178337693 /nfs/dbraw/zinc/33/76/93/178337693.db2.gz ASECLDIQDALGBR-UHFFFAOYSA-N 0 1 223.279 3.242 20 0 BGADMN CCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000027991439 358442262 /nfs/dbraw/zinc/44/22/62/358442262.db2.gz SUYSAPOJIVZUOK-UHFFFAOYSA-N 0 1 231.299 3.000 20 0 BGADMN CCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000029871484 387358777 /nfs/dbraw/zinc/35/87/77/387358777.db2.gz PHVKXEGQVMYYNP-UHFFFAOYSA-N 0 1 245.326 3.209 20 0 BGADMN CCCSc1nc2ccc(OCC)cc2[nH]1 ZINC000030822798 388376744 /nfs/dbraw/zinc/37/67/44/388376744.db2.gz GNWHQEXBFRWZPN-UHFFFAOYSA-N 0 1 236.340 3.464 20 0 BGADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C(C)C)cc1 ZINC000032104548 169098420 /nfs/dbraw/zinc/09/84/20/169098420.db2.gz DXIWWVAJUFBWNZ-UHFFFAOYSA-N 0 1 249.354 3.107 20 0 BGADMN CC(C)c1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000032104566 600223497 /nfs/dbraw/zinc/22/34/97/600223497.db2.gz AWGYGKMEUWBWIJ-UHFFFAOYSA-N 0 1 249.354 3.107 20 0 BGADMN CCCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192889 350192461 /nfs/dbraw/zinc/19/24/61/350192461.db2.gz XFFICVJZUIDTQU-UHFFFAOYSA-N 0 1 228.339 3.244 20 0 BGADMN C/C(=C/c1ccccc1)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000033394668 386039036 /nfs/dbraw/zinc/03/90/36/386039036.db2.gz BZZRQIOENOHKAS-NFRRXOSXSA-N 0 1 245.366 3.199 20 0 BGADMN Oc1ccc(CN2CCc3sccc3C2)cc1 ZINC000033756575 585030044 /nfs/dbraw/zinc/03/00/44/585030044.db2.gz IAEYPGGDRGOVDG-UHFFFAOYSA-N 0 1 245.347 3.012 20 0 BGADMN CC(C)CCN1CCO[C@H](c2ccccc2)C1 ZINC000033952658 368262856 /nfs/dbraw/zinc/26/28/56/368262856.db2.gz SNCBWULAZWKWRJ-HNNXBMFYSA-N 0 1 233.355 3.106 20 0 BGADMN CC(C)CCN1CCO[C@@H](c2ccccc2)C1 ZINC000033952659 368263294 /nfs/dbraw/zinc/26/32/94/368263294.db2.gz SNCBWULAZWKWRJ-OAHLLOKOSA-N 0 1 233.355 3.106 20 0 BGADMN CCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000033952662 387001201 /nfs/dbraw/zinc/00/12/01/387001201.db2.gz MZCPNUOUBRLOEF-HNNXBMFYSA-N 0 1 233.355 3.250 20 0 BGADMN CCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000033952663 387001607 /nfs/dbraw/zinc/00/16/07/387001607.db2.gz MZCPNUOUBRLOEF-OAHLLOKOSA-N 0 1 233.355 3.250 20 0 BGADMN O=C(Nc1ccccc1)c1c(O)cccc1Cl ZINC000034087516 646197525 /nfs/dbraw/zinc/19/75/25/646197525.db2.gz TWZMMRAVWUNYOZ-UHFFFAOYSA-N 0 1 247.681 3.298 20 0 BGADMN Cc1ccc2c(c1)CN(Cc1ccco1)CC2 ZINC000034432079 488147891 /nfs/dbraw/zinc/14/78/91/488147891.db2.gz XYGFLOIIHTZIAT-UHFFFAOYSA-N 0 1 227.307 3.146 20 0 BGADMN O=C(Nc1cccc(Cl)c1O)c1ccccc1 ZINC000034458622 386414102 /nfs/dbraw/zinc/41/41/02/386414102.db2.gz XBUXPDJFZRAKGC-UHFFFAOYSA-N 0 1 247.681 3.298 20 0 BGADMN Cc1cccc(NCCc2ccccc2)n1 ZINC000034481809 179146964 /nfs/dbraw/zinc/14/69/64/179146964.db2.gz DFOQFVBVDZAILG-UHFFFAOYSA-N 0 1 212.296 3.045 20 0 BGADMN C[C@@H](c1ccccn1)N1CCc2ccccc2C1 ZINC000034546832 343274621 /nfs/dbraw/zinc/27/46/21/343274621.db2.gz LJVTZWQHHUEJJO-ZDUSSCGKSA-N 0 1 238.334 3.201 20 0 BGADMN c1coc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000034591427 368265425 /nfs/dbraw/zinc/26/54/25/368265425.db2.gz SGCGGUVLRLFXQN-AWEZNQCLSA-N 0 1 228.295 3.012 20 0 BGADMN c1coc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000034591429 368265551 /nfs/dbraw/zinc/26/55/51/368265551.db2.gz SGCGGUVLRLFXQN-CQSZACIVSA-N 0 1 228.295 3.012 20 0 BGADMN CCN1CCCc2[nH]c3ccc(F)cc3c2C1 ZINC000034788707 358452243 /nfs/dbraw/zinc/45/22/43/358452243.db2.gz HOVPQJRURDQENU-UHFFFAOYSA-N 0 1 232.302 3.075 20 0 BGADMN Cc1ccc(CNCc2cccc(F)c2)o1 ZINC000034957235 351362840 /nfs/dbraw/zinc/36/28/40/351362840.db2.gz MKWHWYDSGZFIHX-UHFFFAOYSA-N 0 1 219.259 3.017 20 0 BGADMN Cc1ccc(CNCc2ccco2)cc1C ZINC000034990723 343282296 /nfs/dbraw/zinc/28/22/96/343282296.db2.gz DIVIFOJAZJAMKK-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1cc(C)c(CNCc2ccco2)cc1C ZINC000034990736 383821643 /nfs/dbraw/zinc/82/16/43/383821643.db2.gz GQWJWNHADIFBOF-UHFFFAOYSA-N 0 1 229.323 3.495 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccc(O)cc2)o1 ZINC000034993574 385691308 /nfs/dbraw/zinc/69/13/08/385691308.db2.gz MIDGTXAAHCWYRH-LLVKDONJSA-N 0 1 231.295 3.144 20 0 BGADMN Cc1ccc([C@H](C)NCc2ccc(O)cc2)o1 ZINC000034993575 385692232 /nfs/dbraw/zinc/69/22/32/385692232.db2.gz MIDGTXAAHCWYRH-NSHDSACASA-N 0 1 231.295 3.144 20 0 BGADMN COc1cccc(CN[C@H](C)c2ccc(C)o2)c1 ZINC000034993608 175268127 /nfs/dbraw/zinc/26/81/27/175268127.db2.gz SPKSEMRVCACQNP-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1cccc(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000034993609 175267100 /nfs/dbraw/zinc/26/71/00/175267100.db2.gz SPKSEMRVCACQNP-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN c1cc(CN[C@@H]2CCOc3ccccc32)cs1 ZINC000034996455 387127681 /nfs/dbraw/zinc/12/76/81/387127681.db2.gz GJNLDAMBTAQACV-CYBMUJFWSA-N 0 1 245.347 3.362 20 0 BGADMN c1cc(CN[C@H]2CCOc3ccccc32)cs1 ZINC000034996456 387127270 /nfs/dbraw/zinc/12/72/70/387127270.db2.gz GJNLDAMBTAQACV-ZDUSSCGKSA-N 0 1 245.347 3.362 20 0 BGADMN Fc1ccccc1CNc1ccc2c[nH]nc2c1 ZINC000035040305 181012871 /nfs/dbraw/zinc/01/28/71/181012871.db2.gz MOKSZERZQNFXNY-UHFFFAOYSA-N 0 1 241.269 3.314 20 0 BGADMN Fc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000035040320 398061269 /nfs/dbraw/zinc/06/12/69/398061269.db2.gz OGXMXWBVTKBUKW-UHFFFAOYSA-N 0 1 241.269 3.314 20 0 BGADMN Cc1ccc(CNc2ccc3c[nH]nc3c2)cc1 ZINC000035040338 398061244 /nfs/dbraw/zinc/06/12/44/398061244.db2.gz LLPRLNRINSSJGK-UHFFFAOYSA-N 0 1 237.306 3.483 20 0 BGADMN Fc1cccc(CNc2ccc3c[nH]nc3c2)c1 ZINC000035040358 398061006 /nfs/dbraw/zinc/06/10/06/398061006.db2.gz PFSFXUQVYDWLNL-UHFFFAOYSA-N 0 1 241.269 3.314 20 0 BGADMN CN(Cc1cccc(N)c1)Cc1ccccc1F ZINC000035063814 387549699 /nfs/dbraw/zinc/54/96/99/387549699.db2.gz RHLNAPKTGNCAQX-UHFFFAOYSA-N 0 1 244.313 3.040 20 0 BGADMN COc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000035136857 175266407 /nfs/dbraw/zinc/26/64/07/175266407.db2.gz MCCKGBSLDWMKMB-NSHDSACASA-N 0 1 231.295 3.139 20 0 BGADMN COc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000035136859 175267538 /nfs/dbraw/zinc/26/75/38/175267538.db2.gz MCCKGBSLDWMKMB-LLVKDONJSA-N 0 1 231.295 3.139 20 0 BGADMN Cc1ccccc1CN[C@@H](C)c1ccco1 ZINC000035136861 179282535 /nfs/dbraw/zinc/28/25/35/179282535.db2.gz PFVGEZGALNKUIK-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1ccccc1CN[C@H](C)c1ccco1 ZINC000035136862 179284189 /nfs/dbraw/zinc/28/41/89/179284189.db2.gz PFVGEZGALNKUIK-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN C[C@H](NCc1ccsc1)c1ccco1 ZINC000035136932 176880207 /nfs/dbraw/zinc/88/02/07/176880207.db2.gz NFIHZRLJACRATD-VIFPVBQESA-N 0 1 207.298 3.192 20 0 BGADMN C[C@@H](NCc1ccsc1)c1ccco1 ZINC000035136934 342883781 /nfs/dbraw/zinc/88/37/81/342883781.db2.gz NFIHZRLJACRATD-SECBINFHSA-N 0 1 207.298 3.192 20 0 BGADMN COc1ccc(CN[C@@H](C)c2ccco2)cc1F ZINC000035142531 383833430 /nfs/dbraw/zinc/83/34/30/383833430.db2.gz AFUBMOWURJNIJR-JTQLQIEISA-N 0 1 249.285 3.278 20 0 BGADMN COc1ccc(CN[C@H](C)c2ccco2)cc1F ZINC000035142534 175111408 /nfs/dbraw/zinc/11/14/08/175111408.db2.gz AFUBMOWURJNIJR-SNVBAGLBSA-N 0 1 249.285 3.278 20 0 BGADMN COc1ccc(C)cc1CNCc1ccccc1 ZINC000035161733 175076365 /nfs/dbraw/zinc/07/63/65/175076365.db2.gz JIAGVVILYAKSFD-UHFFFAOYSA-N 0 1 241.334 3.293 20 0 BGADMN COc1ccc(C)cc1CNCc1cccs1 ZINC000035161941 175075811 /nfs/dbraw/zinc/07/58/11/175075811.db2.gz VDIPAJVSIJVBDF-UHFFFAOYSA-N 0 1 247.363 3.355 20 0 BGADMN Fc1ccc(-c2nc(CNC3CC3)cs2)cc1 ZINC000035163463 343287589 /nfs/dbraw/zinc/28/75/89/343287589.db2.gz PFWRRQKGXDEOMD-UHFFFAOYSA-N 0 1 248.326 3.201 20 0 BGADMN Cc1cc(C(=O)CN2CCCCCCC2)c(C)[nH]1 ZINC000035222856 644310776 /nfs/dbraw/zinc/31/07/76/644310776.db2.gz VBRRXRGRJQTIOG-UHFFFAOYSA-N 0 1 248.370 3.080 20 0 BGADMN Fc1cccc(CNCc2ccccc2)c1F ZINC000035223205 356420145 /nfs/dbraw/zinc/42/01/45/356420145.db2.gz FJPIZBXKYUYNEI-UHFFFAOYSA-N 0 1 233.261 3.255 20 0 BGADMN Fc1cccc(CNCc2cccs2)c1F ZINC000035223661 356420790 /nfs/dbraw/zinc/42/07/90/356420790.db2.gz IDQWMQBCNKWMOE-UHFFFAOYSA-N 0 1 239.290 3.316 20 0 BGADMN CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000035246898 646124388 /nfs/dbraw/zinc/12/43/88/646124388.db2.gz FZYFXEXJSLXYFJ-LLVKDONJSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000035246899 646123492 /nfs/dbraw/zinc/12/34/92/646123492.db2.gz FZYFXEXJSLXYFJ-NSHDSACASA-N 0 1 238.762 3.357 20 0 BGADMN C[C@H](NCc1ccoc1)c1ccccc1 ZINC000035369990 387567617 /nfs/dbraw/zinc/56/76/17/387567617.db2.gz ZHJBUKGNKAMSAE-NSHDSACASA-N 0 1 201.269 3.130 20 0 BGADMN C[C@@H](NCc1ccoc1)c1ccccc1 ZINC000035369991 387567969 /nfs/dbraw/zinc/56/79/69/387567969.db2.gz ZHJBUKGNKAMSAE-LLVKDONJSA-N 0 1 201.269 3.130 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1ccccc1C(=O)[O-] ZINC000035415402 487525230 /nfs/dbraw/zinc/52/52/30/487525230.db2.gz RPILSQPBZKNIND-LLVKDONJSA-N 0 1 235.327 3.005 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1ccccc1C(=O)[O-] ZINC000035415403 171312191 /nfs/dbraw/zinc/31/21/91/171312191.db2.gz RPILSQPBZKNIND-NSHDSACASA-N 0 1 235.327 3.005 20 0 BGADMN CC[N@@H+](Cc1ccccc1C(=O)[O-])C1CCCC1 ZINC000035766641 357999745 /nfs/dbraw/zinc/99/97/45/357999745.db2.gz AYLMQUFACAIQCE-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000035772896 356706080 /nfs/dbraw/zinc/70/60/80/356706080.db2.gz DGNICTWNQNGZCT-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000035772903 356705943 /nfs/dbraw/zinc/70/59/43/356705943.db2.gz SYIMHNFRTHXPBB-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN C[C@H](N)c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000036164928 342894169 /nfs/dbraw/zinc/89/41/69/342894169.db2.gz YABFVFIVBACTCG-VIFPVBQESA-N 0 1 244.363 3.319 20 0 BGADMN CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000036170008 488243274 /nfs/dbraw/zinc/24/32/74/488243274.db2.gz WSMKOLGTEXHFBY-GFCCVEGCSA-N 0 1 247.338 3.007 20 0 BGADMN CC[C@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000036170009 488243286 /nfs/dbraw/zinc/24/32/86/488243286.db2.gz WSMKOLGTEXHFBY-LBPRGKRZSA-N 0 1 247.338 3.007 20 0 BGADMN CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000036170022 356706719 /nfs/dbraw/zinc/70/67/19/356706719.db2.gz NIHREZIHZMJONH-GFCCVEGCSA-N 0 1 247.338 3.007 20 0 BGADMN CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000036170023 171616675 /nfs/dbraw/zinc/61/66/75/171616675.db2.gz NIHREZIHZMJONH-LBPRGKRZSA-N 0 1 247.338 3.007 20 0 BGADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000036170030 343311426 /nfs/dbraw/zinc/31/14/26/343311426.db2.gz FTCRQRILJPXSSR-GFCCVEGCSA-N 0 1 247.338 3.007 20 0 BGADMN CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000036170031 343311453 /nfs/dbraw/zinc/31/14/53/343311453.db2.gz FTCRQRILJPXSSR-LBPRGKRZSA-N 0 1 247.338 3.007 20 0 BGADMN c1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000036373684 343977793 /nfs/dbraw/zinc/97/77/93/343977793.db2.gz RBFICQOQWHLHFA-HNNXBMFYSA-N 0 1 238.334 3.249 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000036791147 358052534 /nfs/dbraw/zinc/05/25/34/358052534.db2.gz COSZZGHIIAMBDF-LLVKDONJSA-N 0 1 235.327 3.005 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000036791149 358052967 /nfs/dbraw/zinc/05/29/67/358052967.db2.gz COSZZGHIIAMBDF-NSHDSACASA-N 0 1 235.327 3.005 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000036791164 169365457 /nfs/dbraw/zinc/36/54/57/169365457.db2.gz YRKJTGSXGCGLCE-LLVKDONJSA-N 0 1 235.327 3.005 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000036791165 712495466 /nfs/dbraw/zinc/49/54/66/712495466.db2.gz YRKJTGSXGCGLCE-NSHDSACASA-N 0 1 235.327 3.005 20 0 BGADMN CCC[C@](C)(N)c1nc(-c2ccc(C)cc2)no1 ZINC000036865008 342992639 /nfs/dbraw/zinc/99/26/39/342992639.db2.gz FDOYDOIELLEQLC-AWEZNQCLSA-N 0 1 245.326 3.019 20 0 BGADMN CCC[C@@](C)(N)c1nc(-c2ccc(C)cc2)no1 ZINC000036865009 384627292 /nfs/dbraw/zinc/62/72/92/384627292.db2.gz FDOYDOIELLEQLC-CQSZACIVSA-N 0 1 245.326 3.019 20 0 BGADMN CCC[C@](C)(N)c1nc(C2CCCCC2)no1 ZINC000036865048 711726978 /nfs/dbraw/zinc/72/69/78/711726978.db2.gz HIJVVGPZNBCBJY-ZDUSSCGKSA-N 0 1 237.347 3.091 20 0 BGADMN CCC[C@@](C)(N)c1nc(C2CCCCC2)no1 ZINC000036865049 712504680 /nfs/dbraw/zinc/50/46/80/712504680.db2.gz HIJVVGPZNBCBJY-CYBMUJFWSA-N 0 1 237.347 3.091 20 0 BGADMN Cc1[nH]ncc1CNc1cc(Cl)ccc1C ZINC000036901391 383917812 /nfs/dbraw/zinc/91/78/12/383917812.db2.gz DXLVKNLVBZTPAE-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN CSc1cccc(NCc2cn[nH]c2C)c1 ZINC000036901413 343327023 /nfs/dbraw/zinc/32/70/23/343327023.db2.gz BIEIWHZCBOVWMX-UHFFFAOYSA-N 0 1 233.340 3.052 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(C)c(Cl)c1 ZINC000036901414 343327262 /nfs/dbraw/zinc/32/72/62/343327262.db2.gz RNYDBKRCUWPPPA-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN Cc1[nH]ncc1CNc1cccc2ccccc21 ZINC000036901415 387558344 /nfs/dbraw/zinc/55/83/44/387558344.db2.gz SSWRGWZUCLBNCD-UHFFFAOYSA-N 0 1 237.306 3.483 20 0 BGADMN Cc1[nH]ncc1CNc1cccc(Cl)c1C ZINC000036901441 383917901 /nfs/dbraw/zinc/91/79/01/383917901.db2.gz LPBUNPUVDZDJSO-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN Cc1[nH]ncc1CNc1cccc2c1CCCC2 ZINC000036901449 383916917 /nfs/dbraw/zinc/91/69/17/383916917.db2.gz XONBWCKFEIYEIE-UHFFFAOYSA-N 0 1 241.338 3.209 20 0 BGADMN CSc1ccc(NCc2cn[nH]c2C)cc1 ZINC000036901452 187258793 /nfs/dbraw/zinc/25/87/93/187258793.db2.gz XXGYONQDJRDIPU-UHFFFAOYSA-N 0 1 233.340 3.052 20 0 BGADMN Cc1[nH]ncc1CNc1ccccc1C(C)C ZINC000036901457 387557903 /nfs/dbraw/zinc/55/79/03/387557903.db2.gz AGFDHOTXRPCPRZ-UHFFFAOYSA-N 0 1 229.327 3.454 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(C(C)C)cc1 ZINC000036901474 383918426 /nfs/dbraw/zinc/91/84/26/383918426.db2.gz TXZMPTKIYXNXTP-UHFFFAOYSA-N 0 1 229.327 3.454 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(Cl)cc1C ZINC000036901557 256524827 /nfs/dbraw/zinc/52/48/27/256524827.db2.gz WICZRKDIKPHRIF-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN Cc1[nH]ncc1CNc1cccc(C(C)C)c1 ZINC000036901614 387557116 /nfs/dbraw/zinc/55/71/16/387557116.db2.gz MRBTZUBBGHRODU-UHFFFAOYSA-N 0 1 229.327 3.454 20 0 BGADMN CCCc1ccc(NCc2cn[nH]c2C)cc1 ZINC000036901618 712514147 /nfs/dbraw/zinc/51/41/47/712514147.db2.gz CKTJJMFCCRNTSU-UHFFFAOYSA-N 0 1 229.327 3.283 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(F)c(Cl)c1 ZINC000036901704 385233618 /nfs/dbraw/zinc/23/36/18/385233618.db2.gz ZBDFYSXCAILAJZ-UHFFFAOYSA-N 0 1 239.681 3.123 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(C)cc1Cl ZINC000036901707 343327213 /nfs/dbraw/zinc/32/72/13/343327213.db2.gz GMPQVTOQIYBTCB-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(OC(C)C)cc1 ZINC000036901710 383919902 /nfs/dbraw/zinc/91/99/02/383919902.db2.gz FYYOGVAWIAPOHI-UHFFFAOYSA-N 0 1 245.326 3.117 20 0 BGADMN CC(C)CCCCCCNCc1csnn1 ZINC000036902136 712514020 /nfs/dbraw/zinc/51/40/20/712514020.db2.gz BLEYHSCZWUHHJZ-UHFFFAOYSA-N 0 1 241.404 3.234 20 0 BGADMN Cc1[nH]ncc1CNc1ccc2ccccc2c1 ZINC000036952076 712516413 /nfs/dbraw/zinc/51/64/13/712516413.db2.gz IHNMZAUOEVEMAD-UHFFFAOYSA-N 0 1 237.306 3.483 20 0 BGADMN CCCOc1ccccc1NCc1cn[nH]c1C ZINC000036955625 169327429 /nfs/dbraw/zinc/32/74/29/169327429.db2.gz RIDDBINQNOVOPH-UHFFFAOYSA-N 0 1 245.326 3.119 20 0 BGADMN CSc1ccccc1NCc1cn[nH]c1C ZINC000036957520 343328712 /nfs/dbraw/zinc/32/87/12/343328712.db2.gz UVNZVFXJJVMTEJ-UHFFFAOYSA-N 0 1 233.340 3.052 20 0 BGADMN CC(C)[C@@H](NCc1cc[nH]n1)c1ccc(F)cc1 ZINC000036968285 387556697 /nfs/dbraw/zinc/55/66/97/387556697.db2.gz GYEHQZZFXNNSKT-CQSZACIVSA-N 0 1 247.317 3.036 20 0 BGADMN CCCc1ccccc1NCc1cn[nH]c1C ZINC000036974807 343329413 /nfs/dbraw/zinc/32/94/13/343329413.db2.gz RTGGUXXNBLEVRS-UHFFFAOYSA-N 0 1 229.327 3.283 20 0 BGADMN CC(C)(C)[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000036994797 343329773 /nfs/dbraw/zinc/32/97/73/343329773.db2.gz DSWBTVIIFDIKBG-CQSZACIVSA-N 0 1 243.354 3.287 20 0 BGADMN CC(C)(C)[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000036994798 343329817 /nfs/dbraw/zinc/32/98/17/343329817.db2.gz DSWBTVIIFDIKBG-AWEZNQCLSA-N 0 1 243.354 3.287 20 0 BGADMN CCCOc1cccc(NCc2cn[nH]c2C)c1 ZINC000036995619 169325933 /nfs/dbraw/zinc/32/59/33/169325933.db2.gz SFVRXUBPZUDDSF-UHFFFAOYSA-N 0 1 245.326 3.119 20 0 BGADMN CC(C)C[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037043095 383931512 /nfs/dbraw/zinc/93/15/12/383931512.db2.gz BCDMURIZWRXFLW-HNNXBMFYSA-N 0 1 243.354 3.287 20 0 BGADMN CC(C)C[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037043096 343331770 /nfs/dbraw/zinc/33/17/70/343331770.db2.gz BCDMURIZWRXFLW-OAHLLOKOSA-N 0 1 243.354 3.287 20 0 BGADMN CCC[C@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037062547 343332086 /nfs/dbraw/zinc/33/20/86/343332086.db2.gz ZPQQLCRGVLWCTA-AWEZNQCLSA-N 0 1 229.327 3.041 20 0 BGADMN CCC[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000037062548 383935439 /nfs/dbraw/zinc/93/54/39/383935439.db2.gz ZPQQLCRGVLWCTA-CQSZACIVSA-N 0 1 229.327 3.041 20 0 BGADMN Cc1[nH]ncc1CNc1ccc(Cl)c(F)c1 ZINC000037070240 387559590 /nfs/dbraw/zinc/55/95/90/387559590.db2.gz QIDRYKVSVYOUHI-UHFFFAOYSA-N 0 1 239.681 3.123 20 0 BGADMN CC[C@@H]1CCCCN1Cc1ccc(Cl)nc1 ZINC000037083306 712532452 /nfs/dbraw/zinc/53/24/52/712532452.db2.gz KZJBAXAGYHWQFU-GFCCVEGCSA-N 0 1 238.762 3.500 20 0 BGADMN CC[C@H]1CCCCN1Cc1ccc(Cl)nc1 ZINC000037083307 712532507 /nfs/dbraw/zinc/53/25/07/712532507.db2.gz KZJBAXAGYHWQFU-LBPRGKRZSA-N 0 1 238.762 3.500 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000037113525 491078827 /nfs/dbraw/zinc/07/88/27/491078827.db2.gz ONVCGVBEZZZEJS-LLVKDONJSA-N 0 1 235.327 3.005 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000037113526 491078844 /nfs/dbraw/zinc/07/88/44/491078844.db2.gz ONVCGVBEZZZEJS-NSHDSACASA-N 0 1 235.327 3.005 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1cccc(C(=O)[O-])c1 ZINC000037113531 491078895 /nfs/dbraw/zinc/07/88/95/491078895.db2.gz XVRBYZWTHWZGBK-LLVKDONJSA-N 0 1 235.327 3.005 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1cccc(C(=O)[O-])c1 ZINC000037113532 171312166 /nfs/dbraw/zinc/31/21/66/171312166.db2.gz XVRBYZWTHWZGBK-NSHDSACASA-N 0 1 235.327 3.005 20 0 BGADMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccco1 ZINC000037118448 358467884 /nfs/dbraw/zinc/46/78/84/358467884.db2.gz AOGRUXAERCEZNG-GXFFZTMASA-N 0 1 243.306 3.323 20 0 BGADMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccco1 ZINC000037118449 358467798 /nfs/dbraw/zinc/46/77/98/358467798.db2.gz AOGRUXAERCEZNG-ZWNOBZJWSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccco1 ZINC000037118450 358467921 /nfs/dbraw/zinc/46/79/21/358467921.db2.gz AOGRUXAERCEZNG-GWCFXTLKSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccco1 ZINC000037118451 175928302 /nfs/dbraw/zinc/92/83/02/175928302.db2.gz AOGRUXAERCEZNG-MFKMUULPSA-N 0 1 243.306 3.323 20 0 BGADMN Cc1[nH]ncc1CNc1ccccc1OC(C)C ZINC000037126247 383940721 /nfs/dbraw/zinc/94/07/21/383940721.db2.gz PBONTSCGYVAZKL-UHFFFAOYSA-N 0 1 245.326 3.117 20 0 BGADMN C[C@H](NCc1ccsc1)c1cccc(O)c1 ZINC000037151032 387559716 /nfs/dbraw/zinc/55/97/16/387559716.db2.gz OUANLJISSANLEL-JTQLQIEISA-N 0 1 233.336 3.305 20 0 BGADMN C[C@@H](NCc1ccsc1)c1cccc(O)c1 ZINC000037151036 358469020 /nfs/dbraw/zinc/46/90/20/358469020.db2.gz OUANLJISSANLEL-SNVBAGLBSA-N 0 1 233.336 3.305 20 0 BGADMN CCCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037171914 358059962 /nfs/dbraw/zinc/05/99/62/358059962.db2.gz GNVGSRAQBIZTKQ-UHFFFAOYSA-N 0 1 235.327 3.007 20 0 BGADMN Cc1cccc([C@@H](C)NCc2ccco2)c1 ZINC000037184249 179181581 /nfs/dbraw/zinc/18/15/81/179181581.db2.gz VAARTRDOOZORTJ-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1cccc([C@H](C)NCc2ccco2)c1 ZINC000037184250 179195985 /nfs/dbraw/zinc/19/59/85/179195985.db2.gz VAARTRDOOZORTJ-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN C[C@H](NCc1ccco1)c1ccc2c(c1)CCO2 ZINC000037184278 383954671 /nfs/dbraw/zinc/95/46/71/383954671.db2.gz HGIOOIMXEFHQMP-NSHDSACASA-N 0 1 243.306 3.065 20 0 BGADMN C[C@@H](NCc1ccco1)c1ccc2c(c1)CCO2 ZINC000037184279 343338212 /nfs/dbraw/zinc/33/82/12/343338212.db2.gz HGIOOIMXEFHQMP-LLVKDONJSA-N 0 1 243.306 3.065 20 0 BGADMN Fc1ccc(F)c(CNCc2ccccc2)c1 ZINC000037228245 358470510 /nfs/dbraw/zinc/47/05/10/358470510.db2.gz QMVPHUFKXKHQEK-UHFFFAOYSA-N 0 1 233.261 3.255 20 0 BGADMN Fc1ccc(F)c(CNCc2cccs2)c1 ZINC000037233224 346679011 /nfs/dbraw/zinc/67/90/11/346679011.db2.gz CARLOXNEBNQKHQ-UHFFFAOYSA-N 0 1 239.290 3.316 20 0 BGADMN CCOCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000037269236 383968464 /nfs/dbraw/zinc/96/84/64/383968464.db2.gz YXGYUYQGIYVEPG-VIFPVBQESA-N 0 1 245.725 3.166 20 0 BGADMN CCOCCN[C@H](C)c1ccc(F)cc1Cl ZINC000037269238 383966629 /nfs/dbraw/zinc/96/66/29/383966629.db2.gz YXGYUYQGIYVEPG-SECBINFHSA-N 0 1 245.725 3.166 20 0 BGADMN Cc1ccc2nc(-c3cccc(O)c3)[nH]c2c1 ZINC000037289015 187392725 /nfs/dbraw/zinc/39/27/25/187392725.db2.gz QEGXUJVZLQOWPG-UHFFFAOYSA-N 0 1 224.263 3.244 20 0 BGADMN Cc1cc(C(=O)CN(C)C2CCCCC2)c(C)[nH]1 ZINC000037333208 358472560 /nfs/dbraw/zinc/47/25/60/358472560.db2.gz XGWHYUILXLBZJM-UHFFFAOYSA-N 0 1 248.370 3.079 20 0 BGADMN Cc1cc(C(=O)CN2[C@H](C)CCC[C@@H]2C)c(C)[nH]1 ZINC000037333336 358473182 /nfs/dbraw/zinc/47/31/82/358473182.db2.gz PJOBZXDWRHYNRY-TXEJJXNPSA-N 0 1 248.370 3.077 20 0 BGADMN Cc1cc(C(=O)CN2[C@@H](C)CCC[C@@H]2C)c(C)[nH]1 ZINC000037333338 358472467 /nfs/dbraw/zinc/47/24/67/358472467.db2.gz PJOBZXDWRHYNRY-RYUDHWBXSA-N 0 1 248.370 3.077 20 0 BGADMN Cc1cc(C(=O)CN2[C@H](C)CCC[C@H]2C)c(C)[nH]1 ZINC000037333340 358473273 /nfs/dbraw/zinc/47/32/73/358473273.db2.gz PJOBZXDWRHYNRY-VXGBXAGGSA-N 0 1 248.370 3.077 20 0 BGADMN CCN(CC(=O)c1c[nH]c2ccccc12)C(C)C ZINC000037334502 343343497 /nfs/dbraw/zinc/34/34/97/343343497.db2.gz SKPFVJADNDDDCY-UHFFFAOYSA-N 0 1 244.338 3.081 20 0 BGADMN CC[C@@H]1CCCCN1CC(=O)c1cc(C)[nH]c1C ZINC000037334607 358472697 /nfs/dbraw/zinc/47/26/97/358472697.db2.gz ZTWGLKKPFIGWQU-CYBMUJFWSA-N 0 1 248.370 3.079 20 0 BGADMN CC[C@H]1CCCCN1CC(=O)c1cc(C)[nH]c1C ZINC000037334610 358473099 /nfs/dbraw/zinc/47/30/99/358473099.db2.gz ZTWGLKKPFIGWQU-ZDUSSCGKSA-N 0 1 248.370 3.079 20 0 BGADMN CCCN(CC)CC(=O)c1c[nH]c2ccccc12 ZINC000037334978 169120403 /nfs/dbraw/zinc/12/04/03/169120403.db2.gz OUQSFHUPLOPEED-UHFFFAOYSA-N 0 1 244.338 3.083 20 0 BGADMN CC[C@@H](C)N(C)CC(=O)c1c[nH]c2ccccc12 ZINC000037336104 358473079 /nfs/dbraw/zinc/47/30/79/358473079.db2.gz NACRHBHJBSKWCH-LLVKDONJSA-N 0 1 244.338 3.081 20 0 BGADMN CC[C@H](C)N(C)CC(=O)c1c[nH]c2ccccc12 ZINC000037336106 171304698 /nfs/dbraw/zinc/30/46/98/171304698.db2.gz NACRHBHJBSKWCH-NSHDSACASA-N 0 1 244.338 3.081 20 0 BGADMN CCN(CC(=O)c1cc(C)[nH]c1C)C1CCCC1 ZINC000037337524 358472575 /nfs/dbraw/zinc/47/25/75/358472575.db2.gz CMPOJGLGUBPMDN-UHFFFAOYSA-N 0 1 248.370 3.079 20 0 BGADMN CCN(CC(=O)c1ccccc1F)C1CCCC1 ZINC000037337588 398315929 /nfs/dbraw/zinc/31/59/29/398315929.db2.gz WZRPPIJATVEOJG-UHFFFAOYSA-N 0 1 249.329 3.273 20 0 BGADMN CCCN(CCC)Cc1c(C)nn(C)c1Cl ZINC000037460277 169148353 /nfs/dbraw/zinc/14/83/53/169148353.db2.gz GMAJMPQJSWZKLQ-UHFFFAOYSA-N 0 1 243.782 3.004 20 0 BGADMN CCCCN(CC)Cc1c(C)nn(C)c1Cl ZINC000037460280 342931777 /nfs/dbraw/zinc/93/17/77/342931777.db2.gz OEDVVNZWQRKEKY-UHFFFAOYSA-N 0 1 243.782 3.004 20 0 BGADMN CCC(CC)N(C)Cc1c(C)nn(C)c1Cl ZINC000037460312 168368549 /nfs/dbraw/zinc/36/85/49/168368549.db2.gz OZTOXRSICBMHDT-UHFFFAOYSA-N 0 1 243.782 3.002 20 0 BGADMN CCC[C@@H](C)N(C)Cc1c(C)nn(C)c1Cl ZINC000037460313 169364809 /nfs/dbraw/zinc/36/48/09/169364809.db2.gz FJTNNJYWYOGTSB-SECBINFHSA-N 0 1 243.782 3.002 20 0 BGADMN CCC[C@H](C)N(C)Cc1c(C)nn(C)c1Cl ZINC000037460314 384499603 /nfs/dbraw/zinc/49/96/03/384499603.db2.gz FJTNNJYWYOGTSB-VIFPVBQESA-N 0 1 243.782 3.002 20 0 BGADMN Clc1ccc(CNCc2ccccc2)o1 ZINC000037486736 358474139 /nfs/dbraw/zinc/47/41/39/358474139.db2.gz HRLZBIQXMBGHIY-UHFFFAOYSA-N 0 1 221.687 3.223 20 0 BGADMN Clc1ccc(CNCc2cccs2)o1 ZINC000037487064 342938737 /nfs/dbraw/zinc/93/87/37/342938737.db2.gz JBIMMBWYGBETEE-UHFFFAOYSA-N 0 1 227.716 3.284 20 0 BGADMN Cc1ccc(CNCc2ccccc2C)o1 ZINC000037487169 343347347 /nfs/dbraw/zinc/34/73/47/343347347.db2.gz OIOWULVXEQLZPY-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN C[C@H](NCc1cccc(O)c1)c1ccccc1F ZINC000037493799 387564318 /nfs/dbraw/zinc/56/43/18/387564318.db2.gz XOHRKFCGIANXNI-NSHDSACASA-N 0 1 245.297 3.382 20 0 BGADMN C[C@@H](NCc1cccc(O)c1)c1ccccc1F ZINC000037493800 387564198 /nfs/dbraw/zinc/56/41/98/387564198.db2.gz XOHRKFCGIANXNI-LLVKDONJSA-N 0 1 245.297 3.382 20 0 BGADMN Clc1nc2ccccc2cc1CN1CCCC1 ZINC000037495060 712655341 /nfs/dbraw/zinc/65/53/41/712655341.db2.gz PHJBJLXKGBEYIG-UHFFFAOYSA-N 0 1 246.741 3.484 20 0 BGADMN COCc1ccccc1CNCc1ccc(C)o1 ZINC000037500124 712655977 /nfs/dbraw/zinc/65/59/77/712655977.db2.gz YLXBGQZSOSFOKH-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037505115 169364907 /nfs/dbraw/zinc/36/49/07/169364907.db2.gz ZBMMJSPULWPHNE-LLVKDONJSA-N 0 1 235.327 3.005 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037505116 383982242 /nfs/dbraw/zinc/98/22/42/383982242.db2.gz ZBMMJSPULWPHNE-NSHDSACASA-N 0 1 235.327 3.005 20 0 BGADMN Cc1ncc(CNCc2cccc(C)c2)s1 ZINC000037505508 179095777 /nfs/dbraw/zinc/09/57/77/179095777.db2.gz MORFPYCUBMWBSK-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1ncc(CN[C@@H]2CCCc3occc32)s1 ZINC000037505599 180156669 /nfs/dbraw/zinc/15/66/69/180156669.db2.gz ZPZXMZYIIOGMFM-GFCCVEGCSA-N 0 1 248.351 3.212 20 0 BGADMN Cc1ncc(CN[C@H]2CCCc3occc32)s1 ZINC000037505600 180158020 /nfs/dbraw/zinc/15/80/20/180158020.db2.gz ZPZXMZYIIOGMFM-LBPRGKRZSA-N 0 1 248.351 3.212 20 0 BGADMN CCCN(C)Cc1cc(C(C)=O)ccc1OCC ZINC000037641748 169081048 /nfs/dbraw/zinc/08/10/48/169081048.db2.gz FAFDTSIJOIRTCE-UHFFFAOYSA-N 0 1 249.354 3.130 20 0 BGADMN COc1ncccc1CN[C@@H](C)c1cccs1 ZINC000037650453 383992116 /nfs/dbraw/zinc/99/21/16/383992116.db2.gz ULDQBPZPFOUXOX-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1ncccc1CN[C@H](C)c1cccs1 ZINC000037650454 383991253 /nfs/dbraw/zinc/99/12/53/383991253.db2.gz ULDQBPZPFOUXOX-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN Cc1cccc(NCCc2ccc(F)cc2)n1 ZINC000037670516 179146030 /nfs/dbraw/zinc/14/60/30/179146030.db2.gz FPRPOVJMBATAPZ-UHFFFAOYSA-N 0 1 230.286 3.184 20 0 BGADMN COc1ccc(CCNc2cccc(C)n2)cc1 ZINC000037670533 175092532 /nfs/dbraw/zinc/09/25/32/175092532.db2.gz YWPKEAJCNSNTHA-UHFFFAOYSA-N 0 1 242.322 3.053 20 0 BGADMN Cc1cccc(NCCc2ccccc2F)n1 ZINC000037670545 179146918 /nfs/dbraw/zinc/14/69/18/179146918.db2.gz GAIOPUFIMTUFHA-UHFFFAOYSA-N 0 1 230.286 3.184 20 0 BGADMN Cc1cccc(NCCc2cccs2)n1 ZINC000037670587 179147050 /nfs/dbraw/zinc/14/70/50/179147050.db2.gz YPWWFGCZUNNUFB-UHFFFAOYSA-N 0 1 218.325 3.106 20 0 BGADMN Cc1cccc(NCC2CCCCC2)n1 ZINC000037670652 179143400 /nfs/dbraw/zinc/14/34/00/179143400.db2.gz FAMANFJVNSBYFD-UHFFFAOYSA-N 0 1 204.317 3.382 20 0 BGADMN Cc1cccc(NCCc2cccc(F)c2)n1 ZINC000037670731 179147349 /nfs/dbraw/zinc/14/73/49/179147349.db2.gz DWLTUBPEVDVBAI-UHFFFAOYSA-N 0 1 230.286 3.184 20 0 BGADMN Cc1cccc(NC[C@@H]2Cc3ccccc32)n1 ZINC000037670746 187293368 /nfs/dbraw/zinc/29/33/68/187293368.db2.gz XNNCEJMKFKITKO-ZDUSSCGKSA-N 0 1 224.307 3.142 20 0 BGADMN Cc1cccc(NC[C@H]2Cc3ccccc32)n1 ZINC000037670748 179148305 /nfs/dbraw/zinc/14/83/05/179148305.db2.gz XNNCEJMKFKITKO-CYBMUJFWSA-N 0 1 224.307 3.142 20 0 BGADMN Cc1cccc(NCCCc2ccccc2)n1 ZINC000037719633 179143641 /nfs/dbraw/zinc/14/36/41/179143641.db2.gz QNEHWOLTCYLVRG-UHFFFAOYSA-N 0 1 226.323 3.435 20 0 BGADMN Cc1cccc(NCCC2CCCC2)n1 ZINC000037741472 179143227 /nfs/dbraw/zinc/14/32/27/179143227.db2.gz SZGRIMUURHHBPC-UHFFFAOYSA-N 0 1 204.317 3.382 20 0 BGADMN CCOCc1ccccc1CNCc1ccco1 ZINC000037762189 384010202 /nfs/dbraw/zinc/01/02/02/384010202.db2.gz NJQIBEKJDVCWLI-UHFFFAOYSA-N 0 1 245.322 3.106 20 0 BGADMN COCc1ccccc1CN[C@@H](C)c1ccco1 ZINC000037762672 343354310 /nfs/dbraw/zinc/35/43/10/343354310.db2.gz GUASZFFHCVSVLV-LBPRGKRZSA-N 0 1 245.322 3.277 20 0 BGADMN COCc1ccccc1CN[C@H](C)c1ccco1 ZINC000037762673 343354042 /nfs/dbraw/zinc/35/40/42/343354042.db2.gz GUASZFFHCVSVLV-GFCCVEGCSA-N 0 1 245.322 3.277 20 0 BGADMN Cc1[nH]ncc1CNc1c(C)cc(C)cc1C ZINC000037763653 384011248 /nfs/dbraw/zinc/01/12/48/384011248.db2.gz KVKJRJYSOQDONC-UHFFFAOYSA-N 0 1 229.327 3.255 20 0 BGADMN Cc1noc(C)c1CN[C@H](C)c1ccc(C)cc1 ZINC000037770755 384014554 /nfs/dbraw/zinc/01/45/54/384014554.db2.gz NTTQLNIELGNYME-LLVKDONJSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1noc(C)c1CN[C@@H](C)c1ccc(C)cc1 ZINC000037770756 384015045 /nfs/dbraw/zinc/01/50/45/384015045.db2.gz NTTQLNIELGNYME-NSHDSACASA-N 0 1 244.338 3.451 20 0 BGADMN COc1cccc([C@H](C)NCc2ccc(C)o2)c1 ZINC000037771281 175293086 /nfs/dbraw/zinc/29/30/86/175293086.db2.gz PUKVEYDYVLENOK-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COc1cccc([C@@H](C)NCc2ccc(C)o2)c1 ZINC000037771282 175286667 /nfs/dbraw/zinc/28/66/67/175286667.db2.gz PUKVEYDYVLENOK-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN C[C@H](N[C@@H]1CCSC1)c1c(F)cccc1F ZINC000037771727 358477518 /nfs/dbraw/zinc/47/75/18/358477518.db2.gz RZIZRTRNWSEWLV-DTWKUNHWSA-N 0 1 243.322 3.121 20 0 BGADMN C[C@@H](N[C@@H]1CCSC1)c1c(F)cccc1F ZINC000037771728 358477588 /nfs/dbraw/zinc/47/75/88/358477588.db2.gz RZIZRTRNWSEWLV-RKDXNWHRSA-N 0 1 243.322 3.121 20 0 BGADMN C[C@H](N[C@H]1CCSC1)c1c(F)cccc1F ZINC000037771729 358477598 /nfs/dbraw/zinc/47/75/98/358477598.db2.gz RZIZRTRNWSEWLV-IUCAKERBSA-N 0 1 243.322 3.121 20 0 BGADMN C[C@@H](N[C@H]1CCSC1)c1c(F)cccc1F ZINC000037771730 358477444 /nfs/dbraw/zinc/47/74/44/358477444.db2.gz RZIZRTRNWSEWLV-BDAKNGLRSA-N 0 1 243.322 3.121 20 0 BGADMN CCOc1cc(C)ccc1NCc1cn[nH]c1C ZINC000037778077 343354803 /nfs/dbraw/zinc/35/48/03/343354803.db2.gz NTQMTAOEEAHSQH-UHFFFAOYSA-N 0 1 245.326 3.037 20 0 BGADMN CCOc1ccc(NCc2cn[nH]c2C)c(C)c1 ZINC000037781869 343355288 /nfs/dbraw/zinc/35/52/88/343355288.db2.gz CIGCDHLGHWABCR-UHFFFAOYSA-N 0 1 245.326 3.037 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2cccc(O)c2)s1 ZINC000037797583 180155421 /nfs/dbraw/zinc/15/54/21/180155421.db2.gz FLIOBOYGBABIBV-VIFPVBQESA-N 0 1 248.351 3.008 20 0 BGADMN Cc1ncc(CN[C@H](C)c2cccc(O)c2)s1 ZINC000037797584 180159128 /nfs/dbraw/zinc/15/91/28/180159128.db2.gz FLIOBOYGBABIBV-SECBINFHSA-N 0 1 248.351 3.008 20 0 BGADMN Cc1cccc(CNCc2ccco2)c1C ZINC000037854434 179096357 /nfs/dbraw/zinc/09/63/57/179096357.db2.gz PGDRZVINRGTEDI-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1ccc(C)c(CNCc2ccco2)c1 ZINC000037855227 384027483 /nfs/dbraw/zinc/02/74/83/384027483.db2.gz XOCXDAWCLUMBQL-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1cc(C)cc(CNCc2ccco2)c1 ZINC000037855229 188288016 /nfs/dbraw/zinc/28/80/16/188288016.db2.gz HBJDCIWROIUADO-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1ccc(CNCc2ccco2)cc1F ZINC000037855531 387910355 /nfs/dbraw/zinc/91/03/55/387910355.db2.gz NTTZWYUQNSXZGQ-UHFFFAOYSA-N 0 1 219.259 3.017 20 0 BGADMN Fc1cc(F)cc(CNCc2cccs2)c1 ZINC000037863399 358478781 /nfs/dbraw/zinc/47/87/81/358478781.db2.gz IQSMSBVIONLTCD-UHFFFAOYSA-N 0 1 239.290 3.316 20 0 BGADMN Cc1n[nH]cc1CN[C@@H](C)c1ccccc1Cl ZINC000037878778 343358776 /nfs/dbraw/zinc/35/87/76/343358776.db2.gz JVCDLAHMGHCESD-JTQLQIEISA-N 0 1 249.745 3.222 20 0 BGADMN Cc1n[nH]cc1CN[C@H](C)c1ccccc1Cl ZINC000037878779 384032346 /nfs/dbraw/zinc/03/23/46/384032346.db2.gz JVCDLAHMGHCESD-SNVBAGLBSA-N 0 1 249.745 3.222 20 0 BGADMN c1coc(CNCc2ccc3c(c2)CCC3)c1 ZINC000037897512 187770532 /nfs/dbraw/zinc/77/05/32/187770532.db2.gz BGTKFSZIWQGUNH-UHFFFAOYSA-N 0 1 227.307 3.058 20 0 BGADMN CCCCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918899 712786885 /nfs/dbraw/zinc/78/68/85/712786885.db2.gz ONIUHFSHPFGGSB-UHFFFAOYSA-N 0 1 249.354 3.397 20 0 BGADMN C[N@@H+](CCC(C)(C)C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918981 343361343 /nfs/dbraw/zinc/36/13/43/343361343.db2.gz ODWAHOOROSGRKB-UHFFFAOYSA-N 0 1 249.354 3.253 20 0 BGADMN CCc1ncc(CNCc2ccc(C)cc2)s1 ZINC000037923796 172018603 /nfs/dbraw/zinc/01/86/03/172018603.db2.gz KFOPUTYUIHQNOY-UHFFFAOYSA-N 0 1 246.379 3.304 20 0 BGADMN CCc1ncc(CNCc2cccc(C)c2)s1 ZINC000037923891 172019651 /nfs/dbraw/zinc/01/96/51/172019651.db2.gz WWUBRMJNRCOURK-UHFFFAOYSA-N 0 1 246.379 3.304 20 0 BGADMN CCc1ncc(CNCc2cccs2)s1 ZINC000037923906 172019638 /nfs/dbraw/zinc/01/96/38/172019638.db2.gz YTPMMZFXSGHFKR-UHFFFAOYSA-N 0 1 238.381 3.057 20 0 BGADMN Cc1cc(CNCc2cccs2)c(C)o1 ZINC000037927604 178025842 /nfs/dbraw/zinc/02/58/42/178025842.db2.gz GXTGPLOOOHLWDV-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN Cc1cc(CNCc2ccccc2)c(C)o1 ZINC000037927710 178026305 /nfs/dbraw/zinc/02/63/05/178026305.db2.gz VAOUZJOXAFXRSN-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1csc(CNCc2sccc2C)n1 ZINC000037988446 343363753 /nfs/dbraw/zinc/36/37/53/343363753.db2.gz VRMJDOTZZGHZDF-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN C[C@H](NCc1cn[nH]c1)c1cc2ccccc2o1 ZINC000038005911 388099861 /nfs/dbraw/zinc/09/98/61/388099861.db2.gz NFYHWWIMNGYUDH-JTQLQIEISA-N 0 1 241.294 3.007 20 0 BGADMN C[C@@H](NCc1cn[nH]c1)c1cc2ccccc2o1 ZINC000038005912 361661694 /nfs/dbraw/zinc/66/16/94/361661694.db2.gz NFYHWWIMNGYUDH-SNVBAGLBSA-N 0 1 241.294 3.007 20 0 BGADMN COCc1cccc(CNCc2ccc(C)o2)c1 ZINC000038010423 343365006 /nfs/dbraw/zinc/36/50/06/343365006.db2.gz ZXKOQQDVWFPHQY-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN COCc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000038010548 343364758 /nfs/dbraw/zinc/36/47/58/343364758.db2.gz QUOLYEUNSYFELN-LBPRGKRZSA-N 0 1 245.322 3.277 20 0 BGADMN COCc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000038010549 343364737 /nfs/dbraw/zinc/36/47/37/343364737.db2.gz QUOLYEUNSYFELN-GFCCVEGCSA-N 0 1 245.322 3.277 20 0 BGADMN CC[C@H](NCc1ccnc(C)n1)c1ccccc1 ZINC000038037442 358482267 /nfs/dbraw/zinc/48/22/67/358482267.db2.gz REZVOJOTUIFWAE-HNNXBMFYSA-N 0 1 241.338 3.026 20 0 BGADMN CC[C@@H](NCc1ccnc(C)n1)c1ccccc1 ZINC000038037443 358482352 /nfs/dbraw/zinc/48/23/52/358482352.db2.gz REZVOJOTUIFWAE-OAHLLOKOSA-N 0 1 241.338 3.026 20 0 BGADMN CC[C@H](NCc1ccnc(C)n1)c1cccs1 ZINC000038037535 358481589 /nfs/dbraw/zinc/48/15/89/358481589.db2.gz FYQASPZVLUBAPM-LBPRGKRZSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@@H](NCc1ccnc(C)n1)c1cccs1 ZINC000038037536 358482008 /nfs/dbraw/zinc/48/20/08/358482008.db2.gz FYQASPZVLUBAPM-GFCCVEGCSA-N 0 1 247.367 3.087 20 0 BGADMN CC(C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000038115671 167131375 /nfs/dbraw/zinc/13/13/75/167131375.db2.gz WMMVFAXSFLBHPV-JTQLQIEISA-N 0 1 248.153 3.025 20 0 BGADMN CC(C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000038115672 167140596 /nfs/dbraw/zinc/14/05/96/167140596.db2.gz WMMVFAXSFLBHPV-SNVBAGLBSA-N 0 1 248.153 3.025 20 0 BGADMN CCCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000038123312 169279016 /nfs/dbraw/zinc/27/90/16/169279016.db2.gz AWKHPQCTNQGTSM-JTQLQIEISA-N 0 1 248.153 3.026 20 0 BGADMN CCCN[C@H](CO)c1c(Cl)cccc1Cl ZINC000038123313 169289496 /nfs/dbraw/zinc/28/94/96/169289496.db2.gz AWKHPQCTNQGTSM-SNVBAGLBSA-N 0 1 248.153 3.026 20 0 BGADMN C/C=C/CNCc1ccccc1Br ZINC000038954014 344006345 /nfs/dbraw/zinc/00/63/45/344006345.db2.gz CDAJRLRFRGYKJU-NSCUHMNNSA-N 0 1 240.144 3.115 20 0 BGADMN Cc1ccccc1CN(C)C/C=C/Cl ZINC000038997140 640769962 /nfs/dbraw/zinc/76/99/62/640769962.db2.gz MRHATTZBOSYPMP-VMPITWQZSA-N 0 1 209.720 3.179 20 0 BGADMN O=c1nc(CC2CCCCC2)[nH]c2ccsc21 ZINC000039122219 344929444 /nfs/dbraw/zinc/92/94/44/344929444.db2.gz SKYADJMLJLCKBE-UHFFFAOYSA-N 0 1 248.351 3.107 20 0 BGADMN Clc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC000039221958 342957449 /nfs/dbraw/zinc/95/74/49/342957449.db2.gz UYEIBHLTQXPBRW-UHFFFAOYSA-N 0 1 229.670 3.278 20 0 BGADMN C[C@@H]1c2cccn2CCN1CCc1ccccc1 ZINC000039277752 358486134 /nfs/dbraw/zinc/48/61/34/358486134.db2.gz OFDJPDLGLBVGAX-CQSZACIVSA-N 0 1 240.350 3.107 20 0 BGADMN C[C@H]1c2cccn2CCN1CCc1ccccc1 ZINC000039277753 387575988 /nfs/dbraw/zinc/57/59/88/387575988.db2.gz OFDJPDLGLBVGAX-AWEZNQCLSA-N 0 1 240.350 3.107 20 0 BGADMN C[C@@H](c1ccccc1)N(C)Cc1ccccn1 ZINC000039424589 176020470 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/nfs/dbraw/zinc/29/11/76/169291176.db2.gz KSOBKVJMMUNIFX-GFCCVEGCSA-N 0 1 232.352 3.232 20 0 BGADMN CC(C)N[C@H](c1nccs1)c1ccccc1 ZINC000041061550 167135296 /nfs/dbraw/zinc/13/52/96/167135296.db2.gz VCFDSRYRKHEGPK-LBPRGKRZSA-N 0 1 232.352 3.231 20 0 BGADMN CC(C)N[C@@H](c1nccs1)c1ccccc1 ZINC000041061551 167140147 /nfs/dbraw/zinc/14/01/47/167140147.db2.gz VCFDSRYRKHEGPK-GFCCVEGCSA-N 0 1 232.352 3.231 20 0 BGADMN Cc1ccc(C)c(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000041123372 643493864 /nfs/dbraw/zinc/49/38/64/643493864.db2.gz MTRSGHYNXGQMIF-GFCCVEGCSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1ccc(C)c(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000041123374 643492906 /nfs/dbraw/zinc/49/29/06/643492906.db2.gz MTRSGHYNXGQMIF-LBPRGKRZSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1cc(C)cc(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000041123582 641542212 /nfs/dbraw/zinc/54/22/12/641542212.db2.gz LNFYZDRVHNBUDP-GFCCVEGCSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1cc(C)cc(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000041123584 641542800 /nfs/dbraw/zinc/54/28/00/641542800.db2.gz LNFYZDRVHNBUDP-LBPRGKRZSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)c(C)c1 ZINC000041123649 641541500 /nfs/dbraw/zinc/54/15/00/641541500.db2.gz JSMLZGPDUKQJFF-GFCCVEGCSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)c(C)c1 ZINC000041123651 641540977 /nfs/dbraw/zinc/54/09/77/641540977.db2.gz JSMLZGPDUKQJFF-LBPRGKRZSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1C ZINC000041123769 641543074 /nfs/dbraw/zinc/54/30/74/641543074.db2.gz BFRHQLVRNOXMNO-GFCCVEGCSA-N 0 1 245.326 3.009 20 0 BGADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1C ZINC000041123771 641541679 /nfs/dbraw/zinc/54/16/79/641541679.db2.gz BFRHQLVRNOXMNO-LBPRGKRZSA-N 0 1 245.326 3.009 20 0 BGADMN CCC[C@@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000041153399 169374325 /nfs/dbraw/zinc/37/43/25/169374325.db2.gz GNKFQZKUSUKMKF-SNVBAGLBSA-N 0 1 237.347 3.091 20 0 BGADMN CCC[C@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000041153402 387592183 /nfs/dbraw/zinc/59/21/83/387592183.db2.gz GNKFQZKUSUKMKF-JTQLQIEISA-N 0 1 237.347 3.091 20 0 BGADMN NC1(c2noc(C3CCCCC3)n2)CCCCC1 ZINC000041153539 181336260 /nfs/dbraw/zinc/33/62/60/181336260.db2.gz FQHIRMNOFHZFQC-UHFFFAOYSA-N 0 1 249.358 3.235 20 0 BGADMN CCC(CC)c1nc(C2(N)CCCCC2)no1 ZINC000041153633 387591610 /nfs/dbraw/zinc/59/16/10/387591610.db2.gz MFEPDESAMXJSBF-UHFFFAOYSA-N 0 1 237.347 3.091 20 0 BGADMN Cc1ccc(-c2cnc(CN3CCCC3)o2)cc1 ZINC000041362208 368278632 /nfs/dbraw/zinc/27/86/32/368278632.db2.gz MNFSEQFTPZKEGD-UHFFFAOYSA-N 0 1 242.322 3.246 20 0 BGADMN Fc1ccc(-c2cnc(CN3CCCC3)o2)cc1 ZINC000041362212 350937603 /nfs/dbraw/zinc/93/76/03/350937603.db2.gz XFNCQYNGNPVQIZ-UHFFFAOYSA-N 0 1 246.285 3.077 20 0 BGADMN CCN(CC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000041392005 357129327 /nfs/dbraw/zinc/12/93/27/357129327.db2.gz BPKDSENWCNHYLV-UHFFFAOYSA-N 0 1 244.338 3.492 20 0 BGADMN CCN(CC)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000041392009 351028353 /nfs/dbraw/zinc/02/83/53/351028353.db2.gz LJNRKQOAMIGFIR-UHFFFAOYSA-N 0 1 248.301 3.323 20 0 BGADMN Cc1cccc(CN(C)Cc2ccco2)c1 ZINC000041392362 179069802 /nfs/dbraw/zinc/06/98/02/179069802.db2.gz IPUAFGYHIAQOGX-UHFFFAOYSA-N 0 1 215.296 3.220 20 0 BGADMN Cc1ccccc1CN(C)Cc1ccco1 ZINC000041392374 357128909 /nfs/dbraw/zinc/12/89/09/357128909.db2.gz WJIDIQNHCAXOTC-UHFFFAOYSA-N 0 1 215.296 3.220 20 0 BGADMN CCN(CC)Cc1ncc(-c2cccs2)o1 ZINC000041646264 358512948 /nfs/dbraw/zinc/51/29/48/358512948.db2.gz OKZZQCSLLFHHCD-UHFFFAOYSA-N 0 1 236.340 3.245 20 0 BGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CCCC1 ZINC000042011574 384202644 /nfs/dbraw/zinc/20/26/44/384202644.db2.gz MKPNKLLICVUHPB-UHFFFAOYSA-N 0 1 247.338 3.007 20 0 BGADMN CCC(CC)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000042060041 168341279 /nfs/dbraw/zinc/34/12/79/168341279.db2.gz LSMNQXQLAANJGY-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN CN(Cc1cc(-c2ccc(F)cc2)no1)C1CC1 ZINC000042123778 368300296 /nfs/dbraw/zinc/30/02/96/368300296.db2.gz YTLIZWBYCJYYDT-UHFFFAOYSA-N 0 1 246.285 3.075 20 0 BGADMN 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/nfs/dbraw/zinc/27/40/83/388274083.db2.gz OLLBWZBHEIKQMM-UHFFFAOYSA-N 0 1 242.160 3.289 20 0 BGADMN Cc1ccnc(NCC2CCCCC2)c1 ZINC000042244052 384118039 /nfs/dbraw/zinc/11/80/39/384118039.db2.gz ASQTYLPCUJEFTP-UHFFFAOYSA-N 0 1 204.317 3.382 20 0 BGADMN CCCN(C)Cc1ccccc1Br ZINC000042295705 169081076 /nfs/dbraw/zinc/08/10/76/169081076.db2.gz PMDHILZFVKDKNU-UHFFFAOYSA-N 0 1 242.160 3.291 20 0 BGADMN CCC1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000042339674 712720576 /nfs/dbraw/zinc/72/05/76/712720576.db2.gz WYMJOKIWDYVZKA-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN CC[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042340587 361981877 /nfs/dbraw/zinc/98/18/77/361981877.db2.gz VHGHFXRZNWGGKY-UHFFFAOYSA-N 0 1 246.123 3.040 20 0 BGADMN Cc1ccc(OCCN(C)Cc2ccco2)cc1 ZINC000042366286 343765975 /nfs/dbraw/zinc/76/59/75/343765975.db2.gz LGCASQWGGPPTBZ-UHFFFAOYSA-N 0 1 245.322 3.099 20 0 BGADMN Cc1cccc(OCCN(C)Cc2ccco2)c1 ZINC000042366289 343766031 /nfs/dbraw/zinc/76/60/31/343766031.db2.gz DNRIFPFQXNJRDG-UHFFFAOYSA-N 0 1 245.322 3.099 20 0 BGADMN Cc1ccccc1OCCN(C)Cc1ccco1 ZINC000042366292 179311519 /nfs/dbraw/zinc/31/15/19/179311519.db2.gz WSEUESOLEUVUKN-UHFFFAOYSA-N 0 1 245.322 3.099 20 0 BGADMN CCC[N@H+](Cc1cccc(C(=O)[O-])c1)CC1CC1 ZINC000042490582 169174417 /nfs/dbraw/zinc/17/44/17/169174417.db2.gz WSDQLZKJFKXOTB-UHFFFAOYSA-N 0 1 247.338 3.007 20 0 BGADMN CCC[N@H+](Cc1ccccc1C(=O)[O-])CC1CC1 ZINC000042490589 169178042 /nfs/dbraw/zinc/17/80/42/169178042.db2.gz DZDXNTUHTMYVRS-UHFFFAOYSA-N 0 1 247.338 3.007 20 0 BGADMN CCCC[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000042490646 386686105 /nfs/dbraw/zinc/68/61/05/386686105.db2.gz MMSIZTKDTNYDCL-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN CCCC[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000042490658 358349511 /nfs/dbraw/zinc/34/95/11/358349511.db2.gz GCXXYMBFHLRSER-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN CCCCC[N@@H+](CCCCC(=O)[O-])C(C)C ZINC000042557853 637282401 /nfs/dbraw/zinc/28/24/01/637282401.db2.gz AHSBTSHLOFHLRG-UHFFFAOYSA-N 0 1 229.364 3.142 20 0 BGADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000042557934 352623577 /nfs/dbraw/zinc/62/35/77/352623577.db2.gz WYYOVGADLGWGLZ-UHFFFAOYSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)C[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000042557966 358351801 /nfs/dbraw/zinc/35/18/01/358351801.db2.gz UYEHCBSLONSCMW-UHFFFAOYSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000042585457 358352306 /nfs/dbraw/zinc/35/23/06/358352306.db2.gz VMXGBNPQWPPIRO-GFCCVEGCSA-N 0 1 249.354 3.251 20 0 BGADMN CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000042585460 358352322 /nfs/dbraw/zinc/35/23/22/358352322.db2.gz VMXGBNPQWPPIRO-LBPRGKRZSA-N 0 1 249.354 3.251 20 0 BGADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C(C)C ZINC000042585759 352623623 /nfs/dbraw/zinc/62/36/23/352623623.db2.gz QRDNTYKFYNSQNK-UHFFFAOYSA-N 0 1 249.354 3.251 20 0 BGADMN CC(C)C[N@@H+](Cc1ccccc1C(=O)[O-])C(C)C ZINC000042585797 358352289 /nfs/dbraw/zinc/35/22/89/358352289.db2.gz GHHSWMWBWNRWOR-UHFFFAOYSA-N 0 1 249.354 3.251 20 0 BGADMN CC(C)[N@H+](Cc1cccc(C(=O)[O-])c1)CC1CC1 ZINC000042585867 187947277 /nfs/dbraw/zinc/94/72/77/187947277.db2.gz QILAGFXECCLRET-UHFFFAOYSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000042585873 358352420 /nfs/dbraw/zinc/35/24/20/358352420.db2.gz IWKFDCWCXGGJEU-UHFFFAOYSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[N@H+](Cc1ccccc1C(=O)[O-])CC1CC1 ZINC000042585906 188293297 /nfs/dbraw/zinc/29/32/97/188293297.db2.gz UTPQOEPCIJKXFF-UHFFFAOYSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)N(CC(=O)c1ccccc1F)CC1CC1 ZINC000042588210 411021805 /nfs/dbraw/zinc/02/18/05/411021805.db2.gz FWKMWHTWTCTIFT-UHFFFAOYSA-N 0 1 249.329 3.129 20 0 BGADMN CCc1nc(CN2CCCCCC2)cs1 ZINC000042623830 368315680 /nfs/dbraw/zinc/31/56/80/368315680.db2.gz NBYWTVAUOQVTHD-UHFFFAOYSA-N 0 1 224.373 3.082 20 0 BGADMN CCc1nc(CN(C)C2CCCCC2)cs1 ZINC000042625754 368316068 /nfs/dbraw/zinc/31/60/68/368316068.db2.gz FLZNFLHSHPNHFL-UHFFFAOYSA-N 0 1 238.400 3.470 20 0 BGADMN CCc1nc(CN2CCCCCCC2)cs1 ZINC000042626241 641556040 /nfs/dbraw/zinc/55/60/40/641556040.db2.gz YPFDLCKILUKGAL-UHFFFAOYSA-N 0 1 238.400 3.472 20 0 BGADMN CCc1nc(CN(C)C2CCCC2)cs1 ZINC000042632084 323251643 /nfs/dbraw/zinc/25/16/43/323251643.db2.gz APVRQMOJYJEQQB-UHFFFAOYSA-N 0 1 224.373 3.080 20 0 BGADMN Cc1cc(CN(C)[C@@H]2CCc3ccccc32)on1 ZINC000042635282 344941828 /nfs/dbraw/zinc/94/18/28/344941828.db2.gz YLAKWJUKHSRBIZ-OAHLLOKOSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1cc(CN(C)[C@H]2CCc3ccccc32)on1 ZINC000042635283 344941975 /nfs/dbraw/zinc/94/19/75/344941975.db2.gz YLAKWJUKHSRBIZ-HNNXBMFYSA-N 0 1 242.322 3.102 20 0 BGADMN CN(C/C=C/Cl)[C@@H]1CCc2ccccc21 ZINC000042643893 641555758 /nfs/dbraw/zinc/55/57/58/641555758.db2.gz PWUFGYDUMYUWSN-QGQQYVBWSA-N 0 1 221.731 3.358 20 0 BGADMN CN(C/C=C/Cl)[C@H]1CCc2ccccc21 ZINC000042643894 641555463 /nfs/dbraw/zinc/55/54/63/641555463.db2.gz PWUFGYDUMYUWSN-FAFAAHBOSA-N 0 1 221.731 3.358 20 0 BGADMN CCCc1nc(CN2CCCCCC2)cs1 ZINC000042651691 346786423 /nfs/dbraw/zinc/78/64/23/346786423.db2.gz CIRMSOQOALGDLU-UHFFFAOYSA-N 0 1 238.400 3.472 20 0 BGADMN C[C@H]([N@@H+](C)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000042770960 358358782 /nfs/dbraw/zinc/35/87/82/358358782.db2.gz ASSYRBJUVXJYOC-NSHDSACASA-N 0 1 249.354 3.251 20 0 BGADMN C[C@@H]([N@@H+](C)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000042770964 358358619 /nfs/dbraw/zinc/35/86/19/358358619.db2.gz ASSYRBJUVXJYOC-LLVKDONJSA-N 0 1 249.354 3.251 20 0 BGADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000042770976 358358173 /nfs/dbraw/zinc/35/81/73/358358173.db2.gz ZYBASJPAYOUXEL-NSHDSACASA-N 0 1 249.354 3.251 20 0 BGADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000042770980 358358148 /nfs/dbraw/zinc/35/81/48/358358148.db2.gz ZYBASJPAYOUXEL-LLVKDONJSA-N 0 1 249.354 3.251 20 0 BGADMN C[C@H]([N@@H+](C)Cc1ccccc1C(=O)[O-])C(C)(C)C ZINC000042771070 358358603 /nfs/dbraw/zinc/35/86/03/358358603.db2.gz UBACEIHOOHKGOX-NSHDSACASA-N 0 1 249.354 3.251 20 0 BGADMN C[C@@H]([N@@H+](C)Cc1ccccc1C(=O)[O-])C(C)(C)C ZINC000042771073 358358658 /nfs/dbraw/zinc/35/86/58/358358658.db2.gz UBACEIHOOHKGOX-LLVKDONJSA-N 0 1 249.354 3.251 20 0 BGADMN COc1ccccc1CN(C)Cc1ccccc1 ZINC000042976654 348986033 /nfs/dbraw/zinc/98/60/33/348986033.db2.gz WHNLCPDKKOTCFM-UHFFFAOYSA-N 0 1 241.334 3.327 20 0 BGADMN Cc1noc(C)c1CN(C)Cc1ccccc1C ZINC000042977364 179270851 /nfs/dbraw/zinc/27/08/51/179270851.db2.gz HRAXRKIIVMQJFM-UHFFFAOYSA-N 0 1 244.338 3.232 20 0 BGADMN COc1cccc(CN(C)Cc2cccs2)c1 ZINC000042977435 348992227 /nfs/dbraw/zinc/99/22/27/348992227.db2.gz HEXAOYJKZYTZHV-UHFFFAOYSA-N 0 1 247.363 3.389 20 0 BGADMN Cc1noc(C)c1CN(C)Cc1ccc(C)cc1 ZINC000042977487 343461745 /nfs/dbraw/zinc/46/17/45/343461745.db2.gz CSVIAXFVRZSVPT-UHFFFAOYSA-N 0 1 244.338 3.232 20 0 BGADMN Cc1ccc(CN(C)Cc2ccc(F)cc2)o1 ZINC000042978240 348988851 /nfs/dbraw/zinc/98/88/51/348988851.db2.gz PSYCYNZWBNAFNP-UHFFFAOYSA-N 0 1 233.286 3.359 20 0 BGADMN COc1cccc(CN(C)Cc2ccc(C)o2)c1 ZINC000042978296 348988880 /nfs/dbraw/zinc/98/88/80/348988880.db2.gz QCYNYAHAHWMEOE-UHFFFAOYSA-N 0 1 245.322 3.229 20 0 BGADMN Cc1ccc(CN(C)CCOc2ccccc2)o1 ZINC000042978409 368386946 /nfs/dbraw/zinc/38/69/46/368386946.db2.gz WANVBNNQQKRJBU-UHFFFAOYSA-N 0 1 245.322 3.099 20 0 BGADMN C#CCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000043006913 358363855 /nfs/dbraw/zinc/36/38/55/358363855.db2.gz HCCWEMCYIGZDFD-UHFFFAOYSA-N 0 1 231.726 3.062 20 0 BGADMN C#CCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000043006916 637547585 /nfs/dbraw/zinc/54/75/85/637547585.db2.gz LSUNOPVOGVPSHV-UHFFFAOYSA-N 0 1 231.726 3.062 20 0 BGADMN CCCC[C@@H](CC)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000043455880 358376572 /nfs/dbraw/zinc/37/65/72/358376572.db2.gz NKIPWDAJGMIVRN-CHWSQXEVSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@H](CC)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000043455882 358376593 /nfs/dbraw/zinc/37/65/93/358376593.db2.gz NKIPWDAJGMIVRN-QWHCGFSZSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@@H](CC)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000043455918 487603587 /nfs/dbraw/zinc/60/35/87/487603587.db2.gz KSCLBWQLTVKQGI-CYBMUJFWSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@H](CC)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000043455920 487603428 /nfs/dbraw/zinc/60/34/28/487603428.db2.gz KSCLBWQLTVKQGI-ZDUSSCGKSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@@H](CC)C[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000043455938 358376507 /nfs/dbraw/zinc/37/65/07/358376507.db2.gz IAFQJGSWJAELET-QWHCGFSZSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@H](CC)C[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000043455940 358376266 /nfs/dbraw/zinc/37/62/66/358376266.db2.gz IAFQJGSWJAELET-STQMWFEESA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@@H](CC)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000043455964 384646813 /nfs/dbraw/zinc/64/68/13/384646813.db2.gz OLFIHHVQGJMNRY-CHWSQXEVSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@H](CC)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000043455966 384644799 /nfs/dbraw/zinc/64/47/99/384644799.db2.gz OLFIHHVQGJMNRY-QWHCGFSZSA-N 0 1 241.375 3.142 20 0 BGADMN [O-]c1ccc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000043476650 183270152 /nfs/dbraw/zinc/27/01/52/183270152.db2.gz HYMUTAZJZUHHJJ-UHFFFAOYSA-N 0 1 247.725 3.335 20 0 BGADMN Brc1ccsc1CN1CCCC1 ZINC000043501821 166103269 /nfs/dbraw/zinc/10/32/69/166103269.db2.gz BRYQQMKUFVACFX-UHFFFAOYSA-N 0 1 246.173 3.106 20 0 BGADMN Cc1ccnc(NCCc2ccc(F)cc2)c1 ZINC000043561401 386710394 /nfs/dbraw/zinc/71/03/94/386710394.db2.gz DJUUQEOXVJNHDV-UHFFFAOYSA-N 0 1 230.286 3.184 20 0 BGADMN COc1ccc(CCNc2cc(C)ccn2)cc1 ZINC000043561408 175092962 /nfs/dbraw/zinc/09/29/62/175092962.db2.gz OUGIEHSJLPRMHV-UHFFFAOYSA-N 0 1 242.322 3.053 20 0 BGADMN Cc1ccnc(NCCc2ccccc2F)c1 ZINC000043561411 386712255 /nfs/dbraw/zinc/71/22/55/386712255.db2.gz WHSQSVRJFFCSIP-UHFFFAOYSA-N 0 1 230.286 3.184 20 0 BGADMN Cc1ccnc(NCCc2cccs2)c1 ZINC000043561427 385167746 /nfs/dbraw/zinc/16/77/46/385167746.db2.gz JCTNZHFILCPTKK-UHFFFAOYSA-N 0 1 218.325 3.106 20 0 BGADMN Cc1ccnc(NCCc2cccc(F)c2)c1 ZINC000043561484 386711223 /nfs/dbraw/zinc/71/12/23/386711223.db2.gz FGVIUFFLLARJPJ-UHFFFAOYSA-N 0 1 230.286 3.184 20 0 BGADMN Cc1ccnc(NC[C@@H]2Cc3ccccc32)c1 ZINC000043561493 538982299 /nfs/dbraw/zinc/98/22/99/538982299.db2.gz NVALRSWYXCATLT-ZDUSSCGKSA-N 0 1 224.307 3.142 20 0 BGADMN Cc1ccnc(NC[C@H]2Cc3ccccc32)c1 ZINC000043561494 538982245 /nfs/dbraw/zinc/98/22/45/538982245.db2.gz NVALRSWYXCATLT-CYBMUJFWSA-N 0 1 224.307 3.142 20 0 BGADMN Cc1ccnc(NCCC2CCCC2)c1 ZINC000043561507 385167573 /nfs/dbraw/zinc/16/75/73/385167573.db2.gz HQAHXUDEZMIYFW-UHFFFAOYSA-N 0 1 204.317 3.382 20 0 BGADMN Cc1ccnc(NCCc2ccsc2)c1 ZINC000043561636 385167324 /nfs/dbraw/zinc/16/73/24/385167324.db2.gz WPBJKBPFAMORPP-UHFFFAOYSA-N 0 1 218.325 3.106 20 0 BGADMN Cc1cccc(OCCNc2cc(C)ccn2)c1 ZINC000043561701 179168822 /nfs/dbraw/zinc/16/88/22/179168822.db2.gz CMZXNGYZBVRZOC-UHFFFAOYSA-N 0 1 242.322 3.189 20 0 BGADMN CCCCCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585550 641568892 /nfs/dbraw/zinc/56/88/92/641568892.db2.gz XDAHBUFOKOBPHE-CYBMUJFWSA-N 0 1 241.375 3.144 20 0 BGADMN c1ccc(C[N@H+](C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000043643156 343479425 /nfs/dbraw/zinc/47/94/25/343479425.db2.gz IZTNZCILAVWOTQ-INIZCTEOSA-N 0 1 245.366 3.220 20 0 BGADMN CC(=O)CCCSc1nc2ccc(C)cc2[nH]1 ZINC000043665540 343480136 /nfs/dbraw/zinc/48/01/36/343480136.db2.gz HXZCJCDKGFMJMT-UHFFFAOYSA-N 0 1 248.351 3.333 20 0 BGADMN CN(Cc1ccc(Br)s1)C1CC1 ZINC000043677646 384993779 /nfs/dbraw/zinc/99/37/79/384993779.db2.gz UUUGQURDJFJLPU-UHFFFAOYSA-N 0 1 246.173 3.105 20 0 BGADMN CCCN(C)Cc1sccc1Br ZINC000043677677 169082741 /nfs/dbraw/zinc/08/27/41/169082741.db2.gz DSGAIFHJYNHQNZ-UHFFFAOYSA-N 0 1 248.189 3.352 20 0 BGADMN Cl/C=C/CN(Cc1ccccc1)C1CC1 ZINC000043689926 641573910 /nfs/dbraw/zinc/57/39/10/641573910.db2.gz JWNVAZUPFUYODB-RUDMXATFSA-N 0 1 221.731 3.404 20 0 BGADMN Cc1cc(CN[C@@H](C)CCc2ccccc2)no1 ZINC000044294875 178029719 /nfs/dbraw/zinc/02/97/19/178029719.db2.gz KWJNBKUOLVKYHQ-LBPRGKRZSA-N 0 1 244.338 3.094 20 0 BGADMN Cc1cc(CN[C@H](C)CCc2ccccc2)no1 ZINC000044294879 178037001 /nfs/dbraw/zinc/03/70/01/178037001.db2.gz KWJNBKUOLVKYHQ-GFCCVEGCSA-N 0 1 244.338 3.094 20 0 BGADMN CCCCC[C@@H](C)NCc1cc(C)on1 ZINC000044295792 631815476 /nfs/dbraw/zinc/81/54/76/631815476.db2.gz TYBUMQBQORYQNY-SNVBAGLBSA-N 0 1 210.321 3.041 20 0 BGADMN CCCCC[C@H](C)NCc1cc(C)on1 ZINC000044295796 631815461 /nfs/dbraw/zinc/81/54/61/631815461.db2.gz TYBUMQBQORYQNY-JTQLQIEISA-N 0 1 210.321 3.041 20 0 BGADMN CCCCCC[C@@H](C)NCc1cc(C)on1 ZINC000044295826 641595416 /nfs/dbraw/zinc/59/54/16/641595416.db2.gz VFGHLFLCDVBJNV-LLVKDONJSA-N 0 1 224.348 3.432 20 0 BGADMN CCCCCC[C@H](C)NCc1cc(C)on1 ZINC000044295830 641594915 /nfs/dbraw/zinc/59/49/15/641594915.db2.gz VFGHLFLCDVBJNV-NSHDSACASA-N 0 1 224.348 3.432 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccccc2C)on1 ZINC000044299370 178039096 /nfs/dbraw/zinc/03/90/96/178039096.db2.gz ZWHSLNSLEOMHQI-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc(CN[C@@H](C)c2ccccc2C)on1 ZINC000044299374 178032156 /nfs/dbraw/zinc/03/21/56/178032156.db2.gz ZWHSLNSLEOMHQI-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc(CN[C@@H](c2ccccc2)C2CC2)on1 ZINC000044299585 322841272 /nfs/dbraw/zinc/84/12/72/322841272.db2.gz NWDXBWDPDZWMAM-HNNXBMFYSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1cc(CN[C@H](c2ccccc2)C2CC2)on1 ZINC000044299589 384654830 /nfs/dbraw/zinc/65/48/30/384654830.db2.gz NWDXBWDPDZWMAM-OAHLLOKOSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1cc(CN[C@@H](c2cccs2)C2CC2)on1 ZINC000044299617 178032071 /nfs/dbraw/zinc/03/20/71/178032071.db2.gz UXAZCPNWBKUHLJ-CYBMUJFWSA-N 0 1 248.351 3.285 20 0 BGADMN Cc1cc(CN[C@H](c2cccs2)C2CC2)on1 ZINC000044299620 178038953 /nfs/dbraw/zinc/03/89/53/178038953.db2.gz UXAZCPNWBKUHLJ-ZDUSSCGKSA-N 0 1 248.351 3.285 20 0 BGADMN Cc1cc(CN[C@@H]2CCCc3ccccc32)on1 ZINC000044300491 322841100 /nfs/dbraw/zinc/84/11/00/322841100.db2.gz SSJCNLCWZZFEGN-OAHLLOKOSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1cc(CN[C@H]2CCCc3ccccc32)on1 ZINC000044300495 384654316 /nfs/dbraw/zinc/65/43/16/384654316.db2.gz SSJCNLCWZZFEGN-HNNXBMFYSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1cc(CN[C@H](C)c2cc(C)ccc2C)on1 ZINC000044300584 387675977 /nfs/dbraw/zinc/67/59/77/387675977.db2.gz XJSWTUIQELRQJH-CYBMUJFWSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc(CN[C@@H](C)c2cc(C)ccc2C)on1 ZINC000044300588 358548321 /nfs/dbraw/zinc/54/83/21/358548321.db2.gz XJSWTUIQELRQJH-ZDUSSCGKSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc(CN[C@@H](c2ccccc2)C(C)C)on1 ZINC000044315385 178030580 /nfs/dbraw/zinc/03/05/80/178030580.db2.gz LYHKZMLWQMKHOP-OAHLLOKOSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1cc(CN[C@H](c2ccccc2)C(C)C)on1 ZINC000044315387 178038984 /nfs/dbraw/zinc/03/89/84/178038984.db2.gz LYHKZMLWQMKHOP-HNNXBMFYSA-N 0 1 244.338 3.470 20 0 BGADMN CC1(C)C[C@@H]1NCc1c(F)cccc1Cl ZINC000044371744 344540048 /nfs/dbraw/zinc/54/00/48/344540048.db2.gz LKOJYZXDNRRRNU-NSHDSACASA-N 0 1 227.710 3.367 20 0 BGADMN CC1(C)C[C@H]1NCc1c(F)cccc1Cl ZINC000044371749 188152469 /nfs/dbraw/zinc/15/24/69/188152469.db2.gz LKOJYZXDNRRRNU-LLVKDONJSA-N 0 1 227.710 3.367 20 0 BGADMN CCC[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000044384051 169176040 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/nfs/dbraw/zinc/03/16/48/178031648.db2.gz NIESXBWPBBOSIW-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccccn2)ccc1F ZINC000050544676 178037878 /nfs/dbraw/zinc/03/78/78/178037878.db2.gz NIESXBWPBBOSIW-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN C[C@@H]1CCCN(Cc2ccc(Cl)nc2)[C@@H]1C ZINC000050564676 641178855 /nfs/dbraw/zinc/17/88/55/641178855.db2.gz HUSBGKWCHXAFCN-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)nc1 ZINC000050564677 711599437 /nfs/dbraw/zinc/59/94/37/711599437.db2.gz HUSBGKWCHXAFCN-WDEREUQCSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000050565427 176102290 /nfs/dbraw/zinc/10/22/90/176102290.db2.gz XXFZMQVAYWHJCB-VXGBXAGGSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000050565428 177101928 /nfs/dbraw/zinc/10/19/28/177101928.db2.gz XXFZMQVAYWHJCB-NWDGAFQWSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000050565435 176099656 /nfs/dbraw/zinc/09/96/56/176099656.db2.gz PIKULHAYKSNYHX-VXGBXAGGSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000050565436 177101731 /nfs/dbraw/zinc/10/17/31/177101731.db2.gz PIKULHAYKSNYHX-NWDGAFQWSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])[C@@H]1C ZINC000050565495 176101532 /nfs/dbraw/zinc/10/15/32/176101532.db2.gz SRNYLINZLXWXNQ-VXGBXAGGSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000050565496 177101489 /nfs/dbraw/zinc/10/14/89/177101489.db2.gz SRNYLINZLXWXNQ-NWDGAFQWSA-N 0 1 247.338 3.005 20 0 BGADMN Cc1cc(F)ccc1CNCc1ccco1 ZINC000050568989 178087271 /nfs/dbraw/zinc/08/72/71/178087271.db2.gz SOHCYGKOBBVRTN-UHFFFAOYSA-N 0 1 219.259 3.017 20 0 BGADMN Cc1cc(F)ccc1CN[C@@H](C)c1ccccn1 ZINC000050569161 178086654 /nfs/dbraw/zinc/08/66/54/178086654.db2.gz RQOACSDMYGRYJY-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cc(F)ccc1CN[C@H](C)c1ccccn1 ZINC000050569162 178087556 /nfs/dbraw/zinc/08/75/56/178087556.db2.gz RQOACSDMYGRYJY-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cc([C@@H](C)NCc2cccn2C)c(C)o1 ZINC000050596301 178229350 /nfs/dbraw/zinc/22/93/50/178229350.db2.gz OQLVBXYHWFBTMT-LLVKDONJSA-N 0 1 232.327 3.086 20 0 BGADMN Cc1cc([C@H](C)NCc2cccn2C)c(C)o1 ZINC000050596302 178251309 /nfs/dbraw/zinc/25/13/09/178251309.db2.gz OQLVBXYHWFBTMT-NSHDSACASA-N 0 1 232.327 3.086 20 0 BGADMN CCn1ccnc1NCc1ccc(Cl)cc1 ZINC000050608170 172226960 /nfs/dbraw/zinc/22/69/60/172226960.db2.gz DOVLQZTXFGVBQO-UHFFFAOYSA-N 0 1 235.718 3.169 20 0 BGADMN CCn1ccnc1NCc1ccccc1Cl ZINC000050608273 172228107 /nfs/dbraw/zinc/22/81/07/172228107.db2.gz UJJVXUTZJAXAKT-UHFFFAOYSA-N 0 1 235.718 3.169 20 0 BGADMN CCNc1cc(C)nc2ccc(F)cc21 ZINC000050870523 170172464 /nfs/dbraw/zinc/17/24/64/170172464.db2.gz JRAAYYKBJWCWAP-UHFFFAOYSA-N 0 1 204.248 3.114 20 0 BGADMN CCCCCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925240 168661619 /nfs/dbraw/zinc/66/16/19/168661619.db2.gz IYEBXMLVJOJKNN-CYBMUJFWSA-N 0 1 241.375 3.286 20 0 BGADMN CCCCCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000050925243 642369559 /nfs/dbraw/zinc/36/95/59/642369559.db2.gz IYEBXMLVJOJKNN-ZDUSSCGKSA-N 0 1 241.375 3.286 20 0 BGADMN CC(C)(C)CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925625 642372474 /nfs/dbraw/zinc/37/24/74/642372474.db2.gz JECDQIDJHBCBOB-GFCCVEGCSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)(C)CC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000050925627 642371143 /nfs/dbraw/zinc/37/11/43/642371143.db2.gz JECDQIDJHBCBOB-LBPRGKRZSA-N 0 1 241.375 3.142 20 0 BGADMN Fc1ccc(F)c(CN2CCCCCC2)c1 ZINC000051092748 398142227 /nfs/dbraw/zinc/14/22/27/398142227.db2.gz GSKDFEVOIZXGSQ-UHFFFAOYSA-N 0 1 225.282 3.341 20 0 BGADMN C[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000051149587 346957186 /nfs/dbraw/zinc/95/71/86/346957186.db2.gz LLACWYOEYQRRNW-SNVBAGLBSA-N 0 1 225.282 3.197 20 0 BGADMN C[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000051149589 346956698 /nfs/dbraw/zinc/95/66/98/346956698.db2.gz LLACWYOEYQRRNW-JTQLQIEISA-N 0 1 225.282 3.197 20 0 BGADMN CCCCN(C)Cc1cc(F)ccc1F ZINC000051179909 323173662 /nfs/dbraw/zinc/17/36/62/323173662.db2.gz XUQNMZLKAIBREX-UHFFFAOYSA-N 0 1 213.271 3.197 20 0 BGADMN CC1CCN(Cc2cc(F)ccc2F)CC1 ZINC000051208836 323182418 /nfs/dbraw/zinc/18/24/18/323182418.db2.gz QHOFPUCYUYIMNU-UHFFFAOYSA-N 0 1 225.282 3.197 20 0 BGADMN C[C@@H]1CCCCN1Cc1cc(F)ccc1F ZINC000051227638 323186277 /nfs/dbraw/zinc/18/62/77/323186277.db2.gz BCCHXSNLTSJUMI-SNVBAGLBSA-N 0 1 225.282 3.339 20 0 BGADMN C[C@H]1CCCCN1Cc1cc(F)ccc1F ZINC000051227639 323186274 /nfs/dbraw/zinc/18/62/74/323186274.db2.gz BCCHXSNLTSJUMI-JTQLQIEISA-N 0 1 225.282 3.339 20 0 BGADMN CCC[C@@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000051322619 169357508 /nfs/dbraw/zinc/35/75/08/169357508.db2.gz MAGZIWJULAAQSF-GFCCVEGCSA-N 0 1 249.354 3.253 20 0 BGADMN CCC[C@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000051322621 631466114 /nfs/dbraw/zinc/46/61/14/631466114.db2.gz MAGZIWJULAAQSF-LBPRGKRZSA-N 0 1 249.354 3.253 20 0 BGADMN CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000051322681 169358408 /nfs/dbraw/zinc/35/84/08/169358408.db2.gz SGIHMDSPLGTVSG-CHWSQXEVSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@H](C)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000051322683 631465247 /nfs/dbraw/zinc/46/52/47/631465247.db2.gz SGIHMDSPLGTVSG-QWHCGFSZSA-N 0 1 241.375 3.142 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2cccs2)n1 ZINC000051574062 179097112 /nfs/dbraw/zinc/09/71/12/179097112.db2.gz BTXOCDBEOBLLEY-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc(CN[C@H](C)c2cccs2)n1 ZINC000051574064 179099597 /nfs/dbraw/zinc/09/95/97/179099597.db2.gz BTXOCDBEOBLLEY-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2ccc(F)cc2)n1 ZINC000051574115 323189955 /nfs/dbraw/zinc/18/99/55/323189955.db2.gz ZDQFMPYIFFYZNH-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccc(F)cc2)n1 ZINC000051574118 323189960 /nfs/dbraw/zinc/18/99/60/323189960.db2.gz ZDQFMPYIFFYZNH-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(CN[C@@H]2CCc3ccccc32)n1 ZINC000051574138 323190006 /nfs/dbraw/zinc/19/00/06/323190006.db2.gz DKBJGJNHVMMGMB-MRXNPFEDSA-N 0 1 238.334 3.167 20 0 BGADMN Cc1cccc(CN[C@H]2CCc3ccccc32)n1 ZINC000051574140 323189912 /nfs/dbraw/zinc/18/99/12/323189912.db2.gz DKBJGJNHVMMGMB-INIZCTEOSA-N 0 1 238.334 3.167 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2ccsc2)n1 ZINC000051574351 179098849 /nfs/dbraw/zinc/09/88/49/179098849.db2.gz VHVILTCXIMUEJL-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccsc2)n1 ZINC000051574353 179099922 /nfs/dbraw/zinc/09/99/22/179099922.db2.gz VHVILTCXIMUEJL-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2cccc(F)c2)n1 ZINC000051574410 323189939 /nfs/dbraw/zinc/18/99/39/323189939.db2.gz YJPWHTVGSQIJOH-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(CN[C@H](C)c2cccc(F)c2)n1 ZINC000051574411 323189920 /nfs/dbraw/zinc/18/99/20/323189920.db2.gz YJPWHTVGSQIJOH-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(CNCc2ccc(F)cc2C)n1 ZINC000051575546 343259088 /nfs/dbraw/zinc/25/90/88/343259088.db2.gz QDSUMYHVMVCUSZ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cccc(CNCc2ccc(F)c(C)c2)n1 ZINC000051575548 179093841 /nfs/dbraw/zinc/09/38/41/179093841.db2.gz VFFLLCLEMDJSLJ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cc(CNCc2cccc(C)n2)c(C)s1 ZINC000051575720 179094403 /nfs/dbraw/zinc/09/44/03/179094403.db2.gz UKYVGZOELJJQEP-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN CCc1ccc(CNCc2cccc(C)n2)s1 ZINC000051576467 343259072 /nfs/dbraw/zinc/25/90/72/343259072.db2.gz FKEFIDXBTDHRCW-UHFFFAOYSA-N 0 1 246.379 3.304 20 0 BGADMN CC[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000051606253 632616248 /nfs/dbraw/zinc/61/62/48/632616248.db2.gz NBZSJPGZCTYBKQ-LLVKDONJSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000051606255 632617469 /nfs/dbraw/zinc/61/74/69/632617469.db2.gz NBZSJPGZCTYBKQ-NSHDSACASA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@H](c1ccccc1)N1CCC(=O)[C@H](C)C1 ZINC000051628300 343627296 /nfs/dbraw/zinc/62/72/96/343627296.db2.gz XPDCDLIOXLDHGO-OCCSQVGLSA-N 0 1 231.339 3.049 20 0 BGADMN CC[C@H](c1ccccc1)N1CCC(=O)[C@H](C)C1 ZINC000051628301 384674872 /nfs/dbraw/zinc/67/48/72/384674872.db2.gz XPDCDLIOXLDHGO-TZMCWYRMSA-N 0 1 231.339 3.049 20 0 BGADMN c1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000051666683 358045459 /nfs/dbraw/zinc/04/54/59/358045459.db2.gz OLWXMLLVQNDRSO-UHFFFAOYSA-N 0 1 223.279 3.175 20 0 BGADMN Cc1cccc(CCNc2cccc(C)n2)c1 ZINC000051670444 179061551 /nfs/dbraw/zinc/06/15/51/179061551.db2.gz GAWHXVHWEYFYTR-UHFFFAOYSA-N 0 1 226.323 3.353 20 0 BGADMN Cc1cccc(CCNc2cc(C)ccn2)c1 ZINC000051670488 179060664 /nfs/dbraw/zinc/06/06/64/179060664.db2.gz JKZPGRKEDORXNI-UHFFFAOYSA-N 0 1 226.323 3.353 20 0 BGADMN CCCCCN(Cc1nnc(CC)o1)C(C)C ZINC000051709062 358760176 /nfs/dbraw/zinc/76/01/76/358760176.db2.gz PYAVXCYVRUPQNA-UHFFFAOYSA-N 0 1 239.363 3.033 20 0 BGADMN CCCCC[N@@H+](Cc1cc(C)no1)C(C)C ZINC000051709140 350773402 /nfs/dbraw/zinc/77/34/02/350773402.db2.gz LRAMWLSEVQMNAD-UHFFFAOYSA-N 0 1 224.348 3.384 20 0 BGADMN CCc1ccc(CNCc2ccccc2)o1 ZINC000051721187 358760610 /nfs/dbraw/zinc/76/06/10/358760610.db2.gz LJZPUSRKLZJPAT-UHFFFAOYSA-N 0 1 215.296 3.132 20 0 BGADMN CCc1ccc(CNCc2ccc(OC)cc2)o1 ZINC000051721305 358760623 /nfs/dbraw/zinc/76/06/23/358760623.db2.gz AWMVOYWWDIBGAR-UHFFFAOYSA-N 0 1 245.322 3.140 20 0 BGADMN CCc1ccc(CNCc2ccc(F)cc2)o1 ZINC000051721432 398057805 /nfs/dbraw/zinc/05/78/05/398057805.db2.gz QHMLSKHKLWZQQD-UHFFFAOYSA-N 0 1 233.286 3.271 20 0 BGADMN CCc1ccc(CNCc2ccc(C)cc2)o1 ZINC000051721492 398057101 /nfs/dbraw/zinc/05/71/01/398057101.db2.gz JYJVSFVJEHAHQA-UHFFFAOYSA-N 0 1 229.323 3.440 20 0 BGADMN CCc1ccc(CNCc2cccc(C)c2)o1 ZINC000051721731 398056971 /nfs/dbraw/zinc/05/69/71/398056971.db2.gz OXGQGKIRPBCQCJ-UHFFFAOYSA-N 0 1 229.323 3.440 20 0 BGADMN CCc1ccc(CNCc2cccs2)o1 ZINC000051721762 384783542 /nfs/dbraw/zinc/78/35/42/384783542.db2.gz LTDPKQGHQJRJGJ-UHFFFAOYSA-N 0 1 221.325 3.193 20 0 BGADMN CCc1ccc(CNCc2cccc(F)c2)o1 ZINC000051722013 398057701 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371947918 /nfs/dbraw/zinc/94/79/18/371947918.db2.gz OPCNOUIZYWDAAF-CYBMUJFWSA-N 0 1 243.354 3.017 20 0 BGADMN CN(Cc1ccc(Cl)s1)C[C@@H]1CCCO1 ZINC000058013818 384980057 /nfs/dbraw/zinc/98/00/57/384980057.db2.gz IRKKCNYBMOGARV-VIFPVBQESA-N 0 1 245.775 3.012 20 0 BGADMN CN(Cc1ccc(Cl)s1)C[C@H]1CCCO1 ZINC000058013819 368505805 /nfs/dbraw/zinc/50/58/05/368505805.db2.gz IRKKCNYBMOGARV-SECBINFHSA-N 0 1 245.775 3.012 20 0 BGADMN CC(C)c1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000058337965 343699392 /nfs/dbraw/zinc/69/93/92/343699392.db2.gz LFZFVYXOVLAXBF-UHFFFAOYSA-N 0 1 248.370 3.089 20 0 BGADMN Cc1ccc(CNCc2cc3ccccc3[nH]2)o1 ZINC000058474023 358911090 /nfs/dbraw/zinc/91/10/90/358911090.db2.gz OCNNPFWFWYECNO-UHFFFAOYSA-N 0 1 240.306 3.359 20 0 BGADMN CC(C)C[C@@H](C)N(C)Cc1cscn1 ZINC000058517787 360078867 /nfs/dbraw/zinc/07/88/67/360078867.db2.gz QCCRACXWKQFBHF-SNVBAGLBSA-N 0 1 212.362 3.010 20 0 BGADMN CCC(CC)CN(CC)Cc1cscn1 ZINC000058518575 168349860 /nfs/dbraw/zinc/34/98/60/168349860.db2.gz 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CCCC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000058851620 398040911 /nfs/dbraw/zinc/04/09/11/398040911.db2.gz ZQKKNFGJAXEEBP-CYBMUJFWSA-N 0 1 249.354 3.009 20 0 BGADMN CCCC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000058851626 398041015 /nfs/dbraw/zinc/04/10/15/398041015.db2.gz ZQKKNFGJAXEEBP-ZDUSSCGKSA-N 0 1 249.354 3.009 20 0 BGADMN CCOc1ccccc1CNCc1ccsc1 ZINC000058872190 385032453 /nfs/dbraw/zinc/03/24/53/385032453.db2.gz FPXUSULGWSOHIF-UHFFFAOYSA-N 0 1 247.363 3.437 20 0 BGADMN CCOCCN(CC)Cc1ccccc1Cl ZINC000058933515 368525804 /nfs/dbraw/zinc/52/58/04/368525804.db2.gz MDKIJZRKXXXQNE-UHFFFAOYSA-N 0 1 241.762 3.198 20 0 BGADMN FC(F)(F)CCNCc1ccccc1Cl ZINC000059099699 324003302 /nfs/dbraw/zinc/00/33/02/324003302.db2.gz NMOZGPATXMKPNM-UHFFFAOYSA-N 0 1 237.652 3.382 20 0 BGADMN C[C@H](NCCC(F)(F)F)c1ccccc1F ZINC000059313268 358919276 /nfs/dbraw/zinc/91/92/76/358919276.db2.gz UEJSSTGWPCSAHR-QMMMGPOBSA-N 0 1 235.224 3.429 20 0 BGADMN C[C@@H](NCCC(F)(F)F)c1ccccc1F ZINC000059313269 358918871 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HJOQNOLTRZKZHR-JTQLQIEISA-N 0 1 249.339 3.003 20 0 BGADMN c1cc(-c2noc([C@H]3CCCCCN3)n2)cs1 ZINC000080989004 368563391 /nfs/dbraw/zinc/56/33/91/368563391.db2.gz HJOQNOLTRZKZHR-SNVBAGLBSA-N 0 1 249.339 3.003 20 0 BGADMN CCc1n[nH]c(SCCCC2CCCC2)n1 ZINC000081275684 388570749 /nfs/dbraw/zinc/57/07/49/388570749.db2.gz OAKBCYDFVWVTDM-UHFFFAOYSA-N 0 1 239.388 3.430 20 0 BGADMN CCc1nnc(SCCCC2CCCC2)[nH]1 ZINC000081275684 388570747 /nfs/dbraw/zinc/57/07/47/388570747.db2.gz OAKBCYDFVWVTDM-UHFFFAOYSA-N 0 1 239.388 3.430 20 0 BGADMN Clc1ccc(CN2CCC23CCC3)cc1 ZINC000081545643 345477758 /nfs/dbraw/zinc/47/77/58/345477758.db2.gz NPXKYDZLPUGDFI-UHFFFAOYSA-N 0 1 221.731 3.468 20 0 BGADMN CC[C@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000081556017 388009682 /nfs/dbraw/zinc/00/96/82/388009682.db2.gz QDDNAUADWGWBGR-HNNXBMFYSA-N 0 1 245.322 3.013 20 0 BGADMN CC[C@@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000081556019 359754968 /nfs/dbraw/zinc/75/49/68/359754968.db2.gz QDDNAUADWGWBGR-OAHLLOKOSA-N 0 1 245.322 3.013 20 0 BGADMN CCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605758 345487226 /nfs/dbraw/zinc/48/72/26/345487226.db2.gz JCCYRJYFOUQVQL-GFCCVEGCSA-N 0 1 209.720 3.497 20 0 BGADMN CCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605761 345487244 /nfs/dbraw/zinc/48/72/44/345487244.db2.gz JCCYRJYFOUQVQL-LBPRGKRZSA-N 0 1 209.720 3.497 20 0 BGADMN Cc1nc(CN2CCCC[C@@H]2C)sc1C ZINC000081644171 398270497 /nfs/dbraw/zinc/27/04/97/398270497.db2.gz JTVHAGLAMPIOEU-VIFPVBQESA-N 0 1 224.373 3.134 20 0 BGADMN Cc1nc(CN2CCCC[C@H]2C)sc1C ZINC000081644175 398270511 /nfs/dbraw/zinc/27/05/11/398270511.db2.gz JTVHAGLAMPIOEU-SECBINFHSA-N 0 1 224.373 3.134 20 0 BGADMN Cc1csc(CN(CCC(C)C)C2CC2)n1 ZINC000081648592 491135797 /nfs/dbraw/zinc/13/57/97/491135797.db2.gz SKMKYEOPAVVHJX-UHFFFAOYSA-N 0 1 238.400 3.462 20 0 BGADMN CCCCN(CC)Cc1nc(C)cs1 ZINC000081648749 384627821 /nfs/dbraw/zinc/62/78/21/384627821.db2.gz CZBNDEXZGGEIDV-UHFFFAOYSA-N 0 1 212.362 3.074 20 0 BGADMN CCCCN(CC)Cc1nc(C)c(C)s1 ZINC000081648756 384629540 /nfs/dbraw/zinc/62/95/40/384629540.db2.gz KFKNLMIFTFIDBU-UHFFFAOYSA-N 0 1 226.389 3.382 20 0 BGADMN CCC(CC)C(=O)Nc1cccc(Cl)c1O ZINC000081780892 168340858 /nfs/dbraw/zinc/34/08/58/168340858.db2.gz SPXMHOWIASNWOG-UHFFFAOYSA-N 0 1 241.718 3.420 20 0 BGADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CC(=O)[O-] ZINC000082249563 176013988 /nfs/dbraw/zinc/01/39/88/176013988.db2.gz YLCAUMZUAITRLN-NSHDSACASA-N 0 1 249.354 3.062 20 0 BGADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CC(=O)[O-] ZINC000082249564 177033277 /nfs/dbraw/zinc/03/32/77/177033277.db2.gz YLCAUMZUAITRLN-LLVKDONJSA-N 0 1 249.354 3.062 20 0 BGADMN CC(C)c1ccc([C@@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000082250067 643284165 /nfs/dbraw/zinc/28/41/65/643284165.db2.gz QTFOSUYVUYBNJE-GFCCVEGCSA-N 0 1 249.354 3.278 20 0 BGADMN CC(C)c1ccc([C@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000082250068 643283914 /nfs/dbraw/zinc/28/39/14/643283914.db2.gz QTFOSUYVUYBNJE-LBPRGKRZSA-N 0 1 249.354 3.278 20 0 BGADMN O=C(CC1CCCC1)Nc1ccc2nc[nH]c2c1 ZINC000082269343 345500107 /nfs/dbraw/zinc/50/01/07/345500107.db2.gz LEJUHZZNFUHMRD-UHFFFAOYSA-N 0 1 243.310 3.082 20 0 BGADMN C[C@@H]1CCCN(Cc2cccnc2Cl)CC1 ZINC000082384115 643508771 /nfs/dbraw/zinc/50/87/71/643508771.db2.gz DTWHFZKRVDEVDC-LLVKDONJSA-N 0 1 238.762 3.357 20 0 BGADMN C[C@H]1CCCN(Cc2cccnc2Cl)CC1 ZINC000082384116 643509399 /nfs/dbraw/zinc/50/93/99/643509399.db2.gz DTWHFZKRVDEVDC-NSHDSACASA-N 0 1 238.762 3.357 20 0 BGADMN CN(Cc1cccnc1Cl)CC1CCCC1 ZINC000082384117 384226153 /nfs/dbraw/zinc/22/61/53/384226153.db2.gz GIWDKKZOJCCGMZ-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1ccsc1C(=O)[O-] ZINC000082501634 487649638 /nfs/dbraw/zinc/64/96/38/487649638.db2.gz CZYPBSMGZNXRKF-SECBINFHSA-N 0 1 241.356 3.067 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1ccsc1C(=O)[O-] ZINC000082501635 487649696 /nfs/dbraw/zinc/64/96/96/487649696.db2.gz CZYPBSMGZNXRKF-VIFPVBQESA-N 0 1 241.356 3.067 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000082501662 362035992 /nfs/dbraw/zinc/03/59/92/362035992.db2.gz VKBQEJKMWOZUKR-SECBINFHSA-N 0 1 241.356 3.067 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000082501664 541460563 /nfs/dbraw/zinc/46/05/63/541460563.db2.gz VKBQEJKMWOZUKR-VIFPVBQESA-N 0 1 241.356 3.067 20 0 BGADMN CCCC[N@@H+](CC)Cc1ccsc1C(=O)[O-] ZINC000082509359 362039646 /nfs/dbraw/zinc/03/96/46/362039646.db2.gz UEWODDQSBCFDFO-UHFFFAOYSA-N 0 1 241.356 3.068 20 0 BGADMN Cc1cccc(NCC2(C)CCCC2)n1 ZINC000082625608 179143062 /nfs/dbraw/zinc/14/30/62/179143062.db2.gz BTIHOGJEFJJXLJ-UHFFFAOYSA-N 0 1 204.317 3.382 20 0 BGADMN Cc1ccnc(NCC2(C)CCCC2)c1 ZINC000082625616 136221879 /nfs/dbraw/zinc/22/18/79/136221879.db2.gz ZFSOVQRAUXSSMC-UHFFFAOYSA-N 0 1 204.317 3.382 20 0 BGADMN CC(C)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000082644391 385625481 /nfs/dbraw/zinc/62/54/81/385625481.db2.gz VMXAMMGAGIBZKL-UHFFFAOYSA-N 0 1 238.674 3.219 20 0 BGADMN CC(C)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000082644397 385625001 /nfs/dbraw/zinc/62/50/01/385625001.db2.gz UVXSPXDAIXWSMC-UHFFFAOYSA-N 0 1 238.674 3.219 20 0 BGADMN CC(C)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000082644405 385625609 /nfs/dbraw/zinc/62/56/09/385625609.db2.gz SRRQEICAKWDNFT-UHFFFAOYSA-N 0 1 238.674 3.219 20 0 BGADMN CC(C)CNc1nc2ccc(Cl)cc2[nH]1 ZINC000082741444 636416478 /nfs/dbraw/zinc/41/64/78/636416478.db2.gz XHLPWBFOVDQVRP-UHFFFAOYSA-N 0 1 223.707 3.284 20 0 BGADMN CCc1ccccc1CNCc1ccoc1 ZINC000082774599 643378247 /nfs/dbraw/zinc/37/82/47/643378247.db2.gz YARGYJQSMLJSJB-UHFFFAOYSA-N 0 1 215.296 3.132 20 0 BGADMN CC(C)=CCNC1(c2nccs2)CCCC1 ZINC000083214878 188295463 /nfs/dbraw/zinc/29/54/63/188295463.db2.gz MKJGYQGZPZPQPF-UHFFFAOYSA-N 0 1 236.384 3.468 20 0 BGADMN CCCCCN(C)Cc1nc2ccccc2n1C ZINC000083219653 388047161 /nfs/dbraw/zinc/04/71/61/388047161.db2.gz FYZIQVXKNVRHMM-UHFFFAOYSA-N 0 1 245.370 3.195 20 0 BGADMN Cc1cccc(C)c1CNCc1ccco1 ZINC000083348351 179037696 /nfs/dbraw/zinc/03/76/96/179037696.db2.gz STONOTBGTKOGSU-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN c1coc(CNCc2cccc3cc[nH]c32)c1 ZINC000083354696 388048933 /nfs/dbraw/zinc/04/89/33/388048933.db2.gz YWSPKHIZCMVOMN-UHFFFAOYSA-N 0 1 226.279 3.051 20 0 BGADMN Fc1ccc(/C=C/CNCc2ccco2)cc1 ZINC000083358069 384484592 /nfs/dbraw/zinc/48/45/92/384484592.db2.gz HJUTZMZYUCJQTG-HNQUOIGGSA-N 0 1 231.270 3.222 20 0 BGADMN CCCc1ccc(CNCc2ccccn2)cc1 ZINC000083368625 343589045 /nfs/dbraw/zinc/58/90/45/343589045.db2.gz CLEMLQCYSKDFGP-UHFFFAOYSA-N 0 1 240.350 3.324 20 0 BGADMN COc1ccc(CNCc2ccccc2)c(F)c1 ZINC000083374043 175108757 /nfs/dbraw/zinc/10/87/57/175108757.db2.gz YZPNNPRZDCHTCL-UHFFFAOYSA-N 0 1 245.297 3.124 20 0 BGADMN COC[C@H](C)NCc1cc(Cl)ccc1Cl ZINC000083377973 174548656 /nfs/dbraw/zinc/54/86/56/174548656.db2.gz SEXMGIFGDNZFHK-QMMMGPOBSA-N 0 1 248.153 3.118 20 0 BGADMN COC[C@@H](C)NCc1cc(Cl)ccc1Cl ZINC000083377974 174457695 /nfs/dbraw/zinc/45/76/95/174457695.db2.gz SEXMGIFGDNZFHK-MRVPVSSYSA-N 0 1 248.153 3.118 20 0 BGADMN CC1(C)CN(Cc2ccccc2F)CCS1 ZINC000083416671 388051029 /nfs/dbraw/zinc/05/10/29/388051029.db2.gz FQZPFWQDRQSHAW-UHFFFAOYSA-N 0 1 239.359 3.153 20 0 BGADMN FC(F)Oc1cccc(Cl)c1CNC1CC1 ZINC000083522941 343624168 /nfs/dbraw/zinc/62/41/68/343624168.db2.gz KTFYAGADDINHCV-UHFFFAOYSA-N 0 1 247.672 3.193 20 0 BGADMN CCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000083556446 170142777 /nfs/dbraw/zinc/14/27/77/170142777.db2.gz GNSMDPMEGJYSQV-JTQLQIEISA-N 0 1 216.284 3.012 20 0 BGADMN CCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000083556448 170160101 /nfs/dbraw/zinc/16/01/01/170160101.db2.gz GNSMDPMEGJYSQV-SNVBAGLBSA-N 0 1 216.284 3.012 20 0 BGADMN c1oc2ccccc2c1CNCc1ccccn1 ZINC000083601925 388056175 /nfs/dbraw/zinc/05/61/75/388056175.db2.gz XYWMNQJEFBNGOV-UHFFFAOYSA-N 0 1 238.290 3.118 20 0 BGADMN c1oc2ccccc2c1CNCc1cccnc1 ZINC000083601926 388056660 /nfs/dbraw/zinc/05/66/60/388056660.db2.gz FBYZBTNBLPZYGO-UHFFFAOYSA-N 0 1 238.290 3.118 20 0 BGADMN c1oc2ccccc2c1CNCc1ccncc1 ZINC000083601939 135452349 /nfs/dbraw/zinc/45/23/49/135452349.db2.gz XMRAAYWCHJEKRF-UHFFFAOYSA-N 0 1 238.290 3.118 20 0 BGADMN Cc1ccc([C@@H](C)[N@@H+](C)CCCC(=O)[O-])c(C)c1 ZINC000083662649 384789111 /nfs/dbraw/zinc/78/91/11/384789111.db2.gz KAQNGBLIKVJTTM-CYBMUJFWSA-N 0 1 249.354 3.161 20 0 BGADMN Cc1ccc([C@H](C)[N@@H+](C)CCCC(=O)[O-])c(C)c1 ZINC000083662650 384789409 /nfs/dbraw/zinc/78/94/09/384789409.db2.gz KAQNGBLIKVJTTM-ZDUSSCGKSA-N 0 1 249.354 3.161 20 0 BGADMN Cc1cc(C)c([C@@H](C)[N@@H+](C)CCC(=O)[O-])c(C)c1 ZINC000083662844 491162463 /nfs/dbraw/zinc/16/24/63/491162463.db2.gz VCWQOXRUZCCMHO-CYBMUJFWSA-N 0 1 249.354 3.079 20 0 BGADMN Cc1cc(C)c([C@H](C)[N@@H+](C)CCC(=O)[O-])c(C)c1 ZINC000083662845 491162455 /nfs/dbraw/zinc/16/24/55/491162455.db2.gz VCWQOXRUZCCMHO-ZDUSSCGKSA-N 0 1 249.354 3.079 20 0 BGADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCC(=O)[O-])c1 ZINC000083662848 388058129 /nfs/dbraw/zinc/05/81/29/388058129.db2.gz FNWLMXPMAIYMBN-CYBMUJFWSA-N 0 1 249.354 3.161 20 0 BGADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCC(=O)[O-])c1 ZINC000083662849 388057591 /nfs/dbraw/zinc/05/75/91/388057591.db2.gz FNWLMXPMAIYMBN-ZDUSSCGKSA-N 0 1 249.354 3.161 20 0 BGADMN CC(C)CC[N@@H+](CCCC(=O)[O-])C1CCCC1 ZINC000083663351 600227754 /nfs/dbraw/zinc/22/77/54/600227754.db2.gz CBXKNOWCBVKIOZ-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCC(=O)[O-] ZINC000083663498 384789751 /nfs/dbraw/zinc/78/97/51/384789751.db2.gz KTZPWZLMLRLAJQ-HNNXBMFYSA-N 0 1 249.354 3.180 20 0 BGADMN CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCC(=O)[O-] ZINC000083663499 384789258 /nfs/dbraw/zinc/78/92/58/384789258.db2.gz KTZPWZLMLRLAJQ-OAHLLOKOSA-N 0 1 249.354 3.180 20 0 BGADMN C[N@@H+](CCCCCC(=O)[O-])C1CCCCCC1 ZINC000083679417 368803153 /nfs/dbraw/zinc/80/31/53/368803153.db2.gz RZOKZHGIRVOGGY-UHFFFAOYSA-N 0 1 241.375 3.286 20 0 BGADMN CC1CCC([N@@H+](C)CCCCCC(=O)[O-])CC1 ZINC000083679461 387423848 /nfs/dbraw/zinc/42/38/48/387423848.db2.gz DVEASPJLHNDHFZ-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN C[N@@H+](CCCCCC(=O)[O-])CC1CCCCC1 ZINC000083679468 352338483 /nfs/dbraw/zinc/33/84/83/352338483.db2.gz 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c1csc(-c2noc([C@H]3CCCCCN3)n2)c1 ZINC000083883053 368833642 /nfs/dbraw/zinc/83/36/42/368833642.db2.gz BMHDMIXCJXBUHI-SECBINFHSA-N 0 1 249.339 3.003 20 0 BGADMN Cc1ccnc(NCC(C2CC2)C2CC2)c1 ZINC000083911285 322830449 /nfs/dbraw/zinc/83/04/49/322830449.db2.gz GHHPSMYPKUZVAY-UHFFFAOYSA-N 0 1 216.328 3.238 20 0 BGADMN Cc1cccc(NCC(C2CC2)C2CC2)n1 ZINC000083911311 384546661 /nfs/dbraw/zinc/54/66/61/384546661.db2.gz LLBPTGJJZZHXRI-UHFFFAOYSA-N 0 1 216.328 3.238 20 0 BGADMN C[C@@H]1CC[C@H](C)N(Cc2ccc(Cl)nc2)C1 ZINC000084047391 643546771 /nfs/dbraw/zinc/54/67/71/643546771.db2.gz IJLJYCHIHLEERK-MNOVXSKESA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CC[C@H](C)N(Cc2ccc(Cl)nc2)C1 ZINC000084047394 643642722 /nfs/dbraw/zinc/64/27/22/643642722.db2.gz IJLJYCHIHLEERK-QWRGUYRKSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@@H](C)N(Cc2ccc(Cl)nc2)C1 ZINC000084047398 643643726 /nfs/dbraw/zinc/64/37/26/643643726.db2.gz IJLJYCHIHLEERK-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@H](C)CN1Cc1ccc(Cl)nc1 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/nfs/dbraw/zinc/62/87/28/343628728.db2.gz XPJWDIBKVSRDCC-UHFFFAOYSA-N 0 1 218.753 3.027 20 0 BGADMN CCCN(CC)Cc1cnc(Cl)s1 ZINC000086776435 169129954 /nfs/dbraw/zinc/12/99/54/169129954.db2.gz KGLNKXBBIJIGBD-UHFFFAOYSA-N 0 1 218.753 3.028 20 0 BGADMN CCCN(Cc1cnc(Cl)s1)C1CC1 ZINC000086776438 169179485 /nfs/dbraw/zinc/17/94/85/169179485.db2.gz XYUMVXZQHOBTOR-UHFFFAOYSA-N 0 1 230.764 3.171 20 0 BGADMN CC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC000086776445 643639713 /nfs/dbraw/zinc/63/97/13/643639713.db2.gz AXIQMXGHRCHMRT-SSDOTTSWSA-N 0 1 218.753 3.027 20 0 BGADMN CC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC000086776446 644471241 /nfs/dbraw/zinc/47/12/41/644471241.db2.gz AXIQMXGHRCHMRT-ZETCQYMHSA-N 0 1 218.753 3.027 20 0 BGADMN CC[C@@H](C)CN(C)Cc1cnc(Cl)s1 ZINC000086776456 384683503 /nfs/dbraw/zinc/68/35/03/384683503.db2.gz PXAKUEGZZHGDIU-MRVPVSSYSA-N 0 1 232.780 3.274 20 0 BGADMN CC[C@H](C)CN(C)Cc1cnc(Cl)s1 ZINC000086776458 171274849 /nfs/dbraw/zinc/27/48/49/171274849.db2.gz PXAKUEGZZHGDIU-QMMMGPOBSA-N 0 1 232.780 3.274 20 0 BGADMN CCC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC000086776512 169364682 /nfs/dbraw/zinc/36/46/82/169364682.db2.gz JCFKDIKRWKMVJL-MRVPVSSYSA-N 0 1 232.780 3.417 20 0 BGADMN CCC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC000086776514 384684440 /nfs/dbraw/zinc/68/44/40/384684440.db2.gz JCFKDIKRWKMVJL-QMMMGPOBSA-N 0 1 232.780 3.417 20 0 BGADMN CC[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776555 644469181 /nfs/dbraw/zinc/46/91/81/644469181.db2.gz DYMNLKAGKOWRSH-MRVPVSSYSA-N 0 1 230.764 3.171 20 0 BGADMN CC[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776557 644468817 /nfs/dbraw/zinc/46/88/17/644468817.db2.gz DYMNLKAGKOWRSH-QMMMGPOBSA-N 0 1 230.764 3.171 20 0 BGADMN CC(C)CCN(C)Cc1cnc(Cl)s1 ZINC000086776599 644469586 /nfs/dbraw/zinc/46/95/86/644469586.db2.gz IKCXCMYDSWUWRT-UHFFFAOYSA-N 0 1 232.780 3.274 20 0 BGADMN CC(C)CN(Cc1cnc(Cl)s1)C1CC1 ZINC000086776721 343628549 /nfs/dbraw/zinc/62/85/49/343628549.db2.gz DYXJTMNUEQNQQH-UHFFFAOYSA-N 0 1 244.791 3.417 20 0 BGADMN CN(Cc1cnc(Cl)s1)CC(C)(C)C ZINC000086776779 384683370 /nfs/dbraw/zinc/68/33/70/384683370.db2.gz FBSLRHPCPSSSEO-UHFFFAOYSA-N 0 1 232.780 3.274 20 0 BGADMN CC1(C)CCCN1Cc1cnc(Cl)s1 ZINC000086776860 631471790 /nfs/dbraw/zinc/47/17/90/631471790.db2.gz YSJKWARHSDCKCJ-UHFFFAOYSA-N 0 1 230.764 3.171 20 0 BGADMN C[C@@H]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000086776891 176102505 /nfs/dbraw/zinc/10/25/05/176102505.db2.gz CDBYFTGIZLUPGN-SECBINFHSA-N 0 1 244.791 3.419 20 0 BGADMN C[C@H]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000086776893 177101527 /nfs/dbraw/zinc/10/15/27/177101527.db2.gz CDBYFTGIZLUPGN-VIFPVBQESA-N 0 1 244.791 3.419 20 0 BGADMN CC(C)[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776977 188318411 /nfs/dbraw/zinc/31/84/11/188318411.db2.gz LTVJCUBMZJVLGN-JTQLQIEISA-N 0 1 244.791 3.417 20 0 BGADMN CC(C)[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776979 385044245 /nfs/dbraw/zinc/04/42/45/385044245.db2.gz LTVJCUBMZJVLGN-SNVBAGLBSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(C)C ZINC000086778089 388108708 /nfs/dbraw/zinc/10/87/08/388108708.db2.gz 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BGADMN Cc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000087289535 322874209 /nfs/dbraw/zinc/87/42/09/322874209.db2.gz OTLUFUJYSIDSOW-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN C[C@H](N[C@@H](C)c1cccnc1)c1ccoc1 ZINC000087289588 322875023 /nfs/dbraw/zinc/87/50/23/322875023.db2.gz MEGSQDNZCXPRFJ-QWRGUYRKSA-N 0 1 216.284 3.086 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cccnc1 ZINC000087289589 491067638 /nfs/dbraw/zinc/06/76/38/491067638.db2.gz MEGSQDNZCXPRFJ-MNOVXSKESA-N 0 1 216.284 3.086 20 0 BGADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccoc1 ZINC000087289590 322874842 /nfs/dbraw/zinc/87/48/42/322874842.db2.gz MEGSQDNZCXPRFJ-WDEREUQCSA-N 0 1 216.284 3.086 20 0 BGADMN C[C@@H](N[C@H](C)c1cccnc1)c1ccoc1 ZINC000087289591 491067633 /nfs/dbraw/zinc/06/76/33/491067633.db2.gz MEGSQDNZCXPRFJ-GHMZBOCLSA-N 0 1 216.284 3.086 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000087289596 518190475 /nfs/dbraw/zinc/19/04/75/518190475.db2.gz GIWJKAAQXTUZIZ-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccoc2)c1 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0 1 241.375 3.142 20 0 BGADMN CCC(CC)C[N@@H+](CC)CCC(C)(C)C(=O)[O-] ZINC000087591603 640936033 /nfs/dbraw/zinc/93/60/33/640936033.db2.gz RMVQRTMLSGPGFD-UHFFFAOYSA-N 0 1 243.391 3.245 20 0 BGADMN CCCCC[N@@H+](CCC(C)(C)C(=O)[O-])C(C)C ZINC000087591629 640935519 /nfs/dbraw/zinc/93/55/19/640935519.db2.gz HOEUFZMWJVYYGA-UHFFFAOYSA-N 0 1 243.391 3.388 20 0 BGADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])C1CCCCC1 ZINC000087591736 640935981 /nfs/dbraw/zinc/93/59/81/640935981.db2.gz DREPNZLFJJHFEG-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN CC1(C)CCC[N@@H+](CCCCCC(=O)[O-])CC1 ZINC000087658273 383859516 /nfs/dbraw/zinc/85/95/16/383859516.db2.gz RCHOAMXPTXQBQD-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN C[C@H](NC[C@@H]1CCCCS1)c1nccs1 ZINC000087683820 343657341 /nfs/dbraw/zinc/65/73/41/343657341.db2.gz HGJJGAKMVMTPHX-UWVGGRQHSA-N 0 1 242.413 3.079 20 0 BGADMN C[C@@H](NC[C@@H]1CCCCS1)c1nccs1 ZINC000087683822 343657498 /nfs/dbraw/zinc/65/74/98/343657498.db2.gz HGJJGAKMVMTPHX-ZJUUUORDSA-N 0 1 242.413 3.079 20 0 BGADMN C[C@H](NC[C@H]1CCCCS1)c1nccs1 ZINC000087683825 343657361 /nfs/dbraw/zinc/65/73/61/343657361.db2.gz HGJJGAKMVMTPHX-VHSXEESVSA-N 0 1 242.413 3.079 20 0 BGADMN C[C@@H](NC[C@H]1CCCCS1)c1nccs1 ZINC000087683827 343657481 /nfs/dbraw/zinc/65/74/81/343657481.db2.gz HGJJGAKMVMTPHX-NXEZZACHSA-N 0 1 242.413 3.079 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCCCS2)c1 ZINC000087686004 386759519 /nfs/dbraw/zinc/75/95/19/386759519.db2.gz UTEVGORQHANYON-NSHDSACASA-N 0 1 222.357 3.088 20 0 BGADMN Cc1ccnc(NC[C@H]2CCCCS2)c1 ZINC000087686006 386760278 /nfs/dbraw/zinc/76/02/78/386760278.db2.gz UTEVGORQHANYON-LLVKDONJSA-N 0 1 222.357 3.088 20 0 BGADMN CCCN[C@H](C(F)F)C1CCCCC1 ZINC000087687457 343657641 /nfs/dbraw/zinc/65/76/41/343657641.db2.gz AMWFAWBTMRRYIW-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CCCN[C@@H](C(F)F)C1CCCCC1 ZINC000087687458 355769881 /nfs/dbraw/zinc/76/98/81/355769881.db2.gz AMWFAWBTMRRYIW-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN C[C@H](NCCF)c1cccc(Br)c1 ZINC000087774827 384845338 /nfs/dbraw/zinc/84/53/38/384845338.db2.gz LXJUWBWYENEIAS-QMMMGPOBSA-N 0 1 246.123 3.069 20 0 BGADMN C[C@@H](NCCF)c1cccc(Br)c1 ZINC000087774828 384845700 /nfs/dbraw/zinc/84/57/00/384845700.db2.gz LXJUWBWYENEIAS-MRVPVSSYSA-N 0 1 246.123 3.069 20 0 BGADMN C[C@H](NCCF)c1ccc(Cl)s1 ZINC000087774908 384846661 /nfs/dbraw/zinc/84/66/61/384846661.db2.gz KNVOYUVCBCEWLS-LURJTMIESA-N 0 1 207.701 3.022 20 0 BGADMN C[C@@H](NCCF)c1ccc(Cl)s1 ZINC000087774909 384846104 /nfs/dbraw/zinc/84/61/04/384846104.db2.gz KNVOYUVCBCEWLS-ZCFIWIBFSA-N 0 1 207.701 3.022 20 0 BGADMN C[C@H](NCCF)c1ccc(Br)cc1 ZINC000087774947 384844785 /nfs/dbraw/zinc/84/47/85/384844785.db2.gz AYHHTJHWPDZNQB-QMMMGPOBSA-N 0 1 246.123 3.069 20 0 BGADMN C[C@@H](NCCF)c1ccc(Br)cc1 ZINC000087774948 384846335 /nfs/dbraw/zinc/84/63/35/384846335.db2.gz AYHHTJHWPDZNQB-MRVPVSSYSA-N 0 1 246.123 3.069 20 0 BGADMN Cc1ccnc(NC[C@]2(C)CCCS2)c1 ZINC000087780969 179450457 /nfs/dbraw/zinc/45/04/57/179450457.db2.gz LUVJBPDSLCZCOD-LBPRGKRZSA-N 0 1 222.357 3.088 20 0 BGADMN Cc1ccnc(NC[C@@]2(C)CCCS2)c1 ZINC000087780972 384846902 /nfs/dbraw/zinc/84/69/02/384846902.db2.gz LUVJBPDSLCZCOD-GFCCVEGCSA-N 0 1 222.357 3.088 20 0 BGADMN Cc1ccc(CNCc2ccc(C)cn2)s1 ZINC000087782246 256573500 /nfs/dbraw/zinc/57/35/00/256573500.db2.gz CTKXPANFTNELOW-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1ccsc1CNCc1ccc(C)cn1 ZINC000087782332 359927710 /nfs/dbraw/zinc/92/77/10/359927710.db2.gz HTHDFFDFAGWPDK-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN C(NCC1CC1)c1nc(C2CCCCCC2)no1 ZINC000087945397 368900739 /nfs/dbraw/zinc/90/07/39/368900739.db2.gz NXBFEODPXNAWSD-UHFFFAOYSA-N 0 1 249.358 3.007 20 0 BGADMN NC1(c2nc(C3CCCCCC3)no2)CCCC1 ZINC000087945702 359931935 /nfs/dbraw/zinc/93/19/35/359931935.db2.gz ITWBOKAUFXAQLG-UHFFFAOYSA-N 0 1 249.358 3.235 20 0 BGADMN CCCCCC[C@@H](C)NCc1ccon1 ZINC000088052734 641281738 /nfs/dbraw/zinc/28/17/38/641281738.db2.gz DBDXFGROWGAGKR-LLVKDONJSA-N 0 1 210.321 3.123 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccsc2)nc1 ZINC000088135389 491094619 /nfs/dbraw/zinc/09/46/19/491094619.db2.gz VETNHPHRGRIMEJ-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccsc2)nc1 ZINC000088135391 491094593 /nfs/dbraw/zinc/09/45/93/491094593.db2.gz VETNHPHRGRIMEJ-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cscc1CNCc1ccc(C)cn1 ZINC000088135573 351624595 /nfs/dbraw/zinc/62/45/95/351624595.db2.gz ZZDXZTJUHLIYHS-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1cccc([C@@H](C)NCc2ccoc2)c1 ZINC000088162116 179182957 /nfs/dbraw/zinc/18/29/57/179182957.db2.gz WDZIIVPSIPRAPL-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1cccc([C@@H](C)NCc2cncs2)c1 ZINC000088162122 351669771 /nfs/dbraw/zinc/66/97/71/351669771.db2.gz HPFMJLYLCSAZEL-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc([C@H](C)NCc2ccoc2)c1 ZINC000088162162 179196629 /nfs/dbraw/zinc/19/66/29/179196629.db2.gz WDZIIVPSIPRAPL-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1cccc([C@H](C)NCc2cncs2)c1 ZINC000088162168 359939166 /nfs/dbraw/zinc/93/91/66/359939166.db2.gz HPFMJLYLCSAZEL-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN C[C@H](NCC(F)F)C1CCCCCC1 ZINC000088169152 384264754 /nfs/dbraw/zinc/26/47/54/384264754.db2.gz OLPSVGUGSBBNPG-VIFPVBQESA-N 0 1 205.292 3.200 20 0 BGADMN C[C@@H](NCC(F)F)C1CCCCCC1 ZINC000088169247 256547280 /nfs/dbraw/zinc/54/72/80/256547280.db2.gz OLPSVGUGSBBNPG-SECBINFHSA-N 0 1 205.292 3.200 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cccnc2)cc1F ZINC000088254683 359942513 /nfs/dbraw/zinc/94/25/13/359942513.db2.gz GHDRCBGVNSEINV-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc([C@H](C)NCc2cccnc2)cc1F ZINC000088254684 359942483 /nfs/dbraw/zinc/94/24/83/359942483.db2.gz GHDRCBGVNSEINV-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000088255001 359942466 /nfs/dbraw/zinc/94/24/66/359942466.db2.gz REYCTMOPNUIVLK-SNVBAGLBSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000088255002 359942407 /nfs/dbraw/zinc/94/24/07/359942407.db2.gz REYCTMOPNUIVLK-JTQLQIEISA-N 0 1 247.317 3.016 20 0 BGADMN CCCCC[N@@H+](CC1(CC(=O)[O-])CC1)C(C)C ZINC000088256064 368908473 /nfs/dbraw/zinc/90/84/73/368908473.db2.gz NAKYSMIEPOGLEC-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN CC(=O)[C@H](C)CSc1nc2ccc(C)cc2[nH]1 ZINC000088485158 388530656 /nfs/dbraw/zinc/53/06/56/388530656.db2.gz CDOIZVPWPMDNKT-SECBINFHSA-N 0 1 248.351 3.189 20 0 BGADMN CC(=O)[C@@H](C)CSc1nc2ccc(C)cc2[nH]1 ZINC000088485159 388530735 /nfs/dbraw/zinc/53/07/35/388530735.db2.gz CDOIZVPWPMDNKT-VIFPVBQESA-N 0 1 248.351 3.189 20 0 BGADMN CC[C@@H](C)CSc1nc(-c2ccccn2)n[nH]1 ZINC000088500535 359963160 /nfs/dbraw/zinc/96/31/60/359963160.db2.gz QCEXEUDGDLUXPA-SECBINFHSA-N 0 1 248.355 3.005 20 0 BGADMN CC[C@H](C)CSc1nc(-c2ccccn2)n[nH]1 ZINC000088500536 359963320 /nfs/dbraw/zinc/96/33/20/359963320.db2.gz QCEXEUDGDLUXPA-VIFPVBQESA-N 0 1 248.355 3.005 20 0 BGADMN CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C)nc1 ZINC000088521295 491127074 /nfs/dbraw/zinc/12/70/74/491127074.db2.gz AYVJZQILTNNXSN-ZDUSSCGKSA-N 0 1 248.370 3.245 20 0 BGADMN CCc1cnc(CN(C)C[C@@H](C)CC)s1 ZINC000088537478 344240618 /nfs/dbraw/zinc/24/06/18/344240618.db2.gz LMYDHRJVBBNVDV-JTQLQIEISA-N 0 1 226.389 3.183 20 0 BGADMN CCc1cnc(CN(C)C[C@H](C)CC)s1 ZINC000088537479 344240596 /nfs/dbraw/zinc/24/05/96/344240596.db2.gz LMYDHRJVBBNVDV-SNVBAGLBSA-N 0 1 226.389 3.183 20 0 BGADMN COCc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000088567218 174625517 /nfs/dbraw/zinc/62/55/17/174625517.db2.gz QABGSSQHLVZHEW-LBPRGKRZSA-N 0 1 245.322 3.277 20 0 BGADMN COCc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000088567219 383912528 /nfs/dbraw/zinc/91/25/28/383912528.db2.gz QABGSSQHLVZHEW-GFCCVEGCSA-N 0 1 245.322 3.277 20 0 BGADMN CC[C@@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000088576676 344240953 /nfs/dbraw/zinc/24/09/53/344240953.db2.gz HMYVEFHVHYITCA-LLVKDONJSA-N 0 1 224.373 3.074 20 0 BGADMN CC[C@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000088576677 383911858 /nfs/dbraw/zinc/91/18/58/383911858.db2.gz HMYVEFHVHYITCA-NSHDSACASA-N 0 1 224.373 3.074 20 0 BGADMN CCC[C@@H](C)N(C)Cc1nc(C)cs1 ZINC000088577525 169365649 /nfs/dbraw/zinc/36/56/49/169365649.db2.gz BSHXAQNWTCSLKQ-SNVBAGLBSA-N 0 1 212.362 3.072 20 0 BGADMN CCC[C@H](C)N(C)Cc1nc(C)cs1 ZINC000088577526 383910776 /nfs/dbraw/zinc/91/07/76/383910776.db2.gz BSHXAQNWTCSLKQ-JTQLQIEISA-N 0 1 212.362 3.072 20 0 BGADMN CCC[C@@H](C)N(C)Cc1nc(C)c(C)s1 ZINC000088577527 345542962 /nfs/dbraw/zinc/54/29/62/345542962.db2.gz YXSUBHJZSPUTKD-SECBINFHSA-N 0 1 226.389 3.380 20 0 BGADMN CCC[C@H](C)N(C)Cc1nc(C)c(C)s1 ZINC000088577528 345542654 /nfs/dbraw/zinc/54/26/54/345542654.db2.gz YXSUBHJZSPUTKD-VIFPVBQESA-N 0 1 226.389 3.380 20 0 BGADMN Cc1csc(CN(CC(C)C)C2CC2)n1 ZINC000088577618 383911400 /nfs/dbraw/zinc/91/14/00/383911400.db2.gz WUGSWFNGFVPPIJ-UHFFFAOYSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1csc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000088578074 359967143 /nfs/dbraw/zinc/96/71/43/359967143.db2.gz CPNYYYNNAQRNNL-JTQLQIEISA-N 0 1 236.384 3.214 20 0 BGADMN Cc1csc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000088578075 359966800 /nfs/dbraw/zinc/96/68/00/359966800.db2.gz CPNYYYNNAQRNNL-SNVBAGLBSA-N 0 1 236.384 3.214 20 0 BGADMN Cc1nc(CN(C)CC(C)(C)C)sc1C ZINC000088594310 345542594 /nfs/dbraw/zinc/54/25/94/345542594.db2.gz GWPXIDAVEMPPJW-UHFFFAOYSA-N 0 1 226.389 3.238 20 0 BGADMN Cc1csc(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000088598759 383915893 /nfs/dbraw/zinc/91/58/93/383915893.db2.gz IJXZTOGHNPRRRC-PHIMTYICSA-N 0 1 224.373 3.214 20 0 BGADMN Cc1csc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000088598760 383915087 /nfs/dbraw/zinc/91/50/87/383915087.db2.gz IJXZTOGHNPRRRC-QWRGUYRKSA-N 0 1 224.373 3.214 20 0 BGADMN Cc1csc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000088598761 383914680 /nfs/dbraw/zinc/91/46/80/383914680.db2.gz IJXZTOGHNPRRRC-GHMZBOCLSA-N 0 1 224.373 3.214 20 0 BGADMN Cc1csc(CN2CC[C@H](C)C[C@@H]2C)n1 ZINC000088601437 383916336 /nfs/dbraw/zinc/91/63/36/383916336.db2.gz QCFNTZAQYQSIOE-ONGXEEELSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1csc(CN2CC[C@@H](C)C[C@@H]2C)n1 ZINC000088601438 383915501 /nfs/dbraw/zinc/91/55/01/383915501.db2.gz QCFNTZAQYQSIOE-KOLCDFICSA-N 0 1 224.373 3.072 20 0 BGADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000088705763 177182585 /nfs/dbraw/zinc/18/25/85/177182585.db2.gz WHHXZSDCONQVAH-NEPJUHHUSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000088705764 177198451 /nfs/dbraw/zinc/19/84/51/177198451.db2.gz WHHXZSDCONQVAH-RYUDHWBXSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000088705765 176197692 /nfs/dbraw/zinc/19/76/92/176197692.db2.gz WHHXZSDCONQVAH-VXGBXAGGSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000088705766 177185028 /nfs/dbraw/zinc/18/50/28/177185028.db2.gz WHHXZSDCONQVAH-NWDGAFQWSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000088705859 359973166 /nfs/dbraw/zinc/97/31/66/359973166.db2.gz BIIMXIVZRYSLIF-NEPJUHHUSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000088705860 359973375 /nfs/dbraw/zinc/97/33/75/359973375.db2.gz BIIMXIVZRYSLIF-RYUDHWBXSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000088705861 359973515 /nfs/dbraw/zinc/97/35/15/359973515.db2.gz BIIMXIVZRYSLIF-VXGBXAGGSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000088705862 359973083 /nfs/dbraw/zinc/97/30/83/359973083.db2.gz BIIMXIVZRYSLIF-NWDGAFQWSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000088705867 368924653 /nfs/dbraw/zinc/92/46/53/368924653.db2.gz MVCZYGNJFCZYBS-NEPJUHHUSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000088705868 368924551 /nfs/dbraw/zinc/92/45/51/368924551.db2.gz MVCZYGNJFCZYBS-RYUDHWBXSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000088705869 368924945 /nfs/dbraw/zinc/92/49/45/368924945.db2.gz MVCZYGNJFCZYBS-VXGBXAGGSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000088705870 368925084 /nfs/dbraw/zinc/92/50/84/368925084.db2.gz MVCZYGNJFCZYBS-NWDGAFQWSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000088837547 383922316 /nfs/dbraw/zinc/92/23/16/383922316.db2.gz QMDFOLYEZUTDBI-AWEZNQCLSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000088837548 188144235 /nfs/dbraw/zinc/14/42/35/188144235.db2.gz QMDFOLYEZUTDBI-CQSZACIVSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000088837607 368929832 /nfs/dbraw/zinc/92/98/32/368929832.db2.gz RVDMQAJYUAPOHZ-AWEZNQCLSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000088837608 368930118 /nfs/dbraw/zinc/93/01/18/368930118.db2.gz RVDMQAJYUAPOHZ-CQSZACIVSA-N 0 1 247.338 3.005 20 0 BGADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000088837609 359980810 /nfs/dbraw/zinc/98/08/10/359980810.db2.gz JCXVIXJASLSQEP-AWEZNQCLSA-N 0 1 247.338 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0 1 238.400 3.498 20 0 BGADMN CC[C@H](C)C[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000091796792 384990057 /nfs/dbraw/zinc/99/00/57/384990057.db2.gz PUAJYGWBIDYFOP-JTQLQIEISA-N 0 1 238.400 3.498 20 0 BGADMN CCCCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091824834 384148945 /nfs/dbraw/zinc/14/89/45/384148945.db2.gz IABZJZSMIVGKFS-UHFFFAOYSA-N 0 1 231.299 3.000 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)C3CCCC3)ccc12 ZINC000091826360 384147631 /nfs/dbraw/zinc/14/76/31/384147631.db2.gz QSWVRPWLMDIKCK-UHFFFAOYSA-N 0 1 243.310 3.000 20 0 BGADMN CCC[C@@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826391 169352855 /nfs/dbraw/zinc/35/28/55/169352855.db2.gz NINRZGQJUIJDLX-SECBINFHSA-N 0 1 245.326 3.246 20 0 BGADMN CCC[C@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826392 384147971 /nfs/dbraw/zinc/14/79/71/384147971.db2.gz NINRZGQJUIJDLX-VIFPVBQESA-N 0 1 245.326 3.246 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)CCC(C)C)ccc12 ZINC000091826468 384146958 /nfs/dbraw/zinc/14/69/58/384146958.db2.gz AYFXBRKTAYOXJN-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN CCC(C)(C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826624 168269680 /nfs/dbraw/zinc/26/96/80/168269680.db2.gz VHVDYRXMOISHMY-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)CCC3CC3)ccc12 ZINC000091826840 345610582 /nfs/dbraw/zinc/61/05/82/345610582.db2.gz RKIRGTRGKFYINX-UHFFFAOYSA-N 0 1 243.310 3.000 20 0 BGADMN CCCCCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091827080 360131724 /nfs/dbraw/zinc/13/17/24/360131724.db2.gz KCSLNKKVUBXHLF-UHFFFAOYSA-N 0 1 245.326 3.390 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)CC(C)(C)C)ccc12 ZINC000091827767 384147549 /nfs/dbraw/zinc/14/75/49/384147549.db2.gz ITRDVIOMPPFRFQ-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)CC3CCC3)ccc12 ZINC000091828010 384148076 /nfs/dbraw/zinc/14/80/76/384148076.db2.gz NBGATCRBYSLWHM-UHFFFAOYSA-N 0 1 243.310 3.000 20 0 BGADMN CCC(CC)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091834181 168341683 /nfs/dbraw/zinc/34/16/83/168341683.db2.gz AVIVAUMVQSSEOB-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)C(C)C)ccc12 ZINC000091835091 384149007 /nfs/dbraw/zinc/14/90/07/384149007.db2.gz GMMSLGOWNVWUCH-VIFPVBQESA-N 0 1 245.326 3.102 20 0 BGADMN Cc1[nH]nc2cc(NC(=O)[C@H](C)C(C)C)ccc12 ZINC000091835096 384147755 /nfs/dbraw/zinc/14/77/55/384147755.db2.gz GMMSLGOWNVWUCH-SECBINFHSA-N 0 1 245.326 3.102 20 0 BGADMN CCN1CC=C(c2ccccc2Cl)CC1 ZINC000091843488 360132003 /nfs/dbraw/zinc/13/20/03/360132003.db2.gz CPDVGGHWURAGQK-UHFFFAOYSA-N 0 1 221.731 3.449 20 0 BGADMN C[C@@H]1CCN(Cc2c(F)cccc2F)[C@@H]1C ZINC000091860430 360133332 /nfs/dbraw/zinc/13/33/32/360133332.db2.gz OLTHCYRHANNCQN-NXEZZACHSA-N 0 1 225.282 3.195 20 0 BGADMN C[C@@H]1[C@@H](C)CCN1Cc1c(F)cccc1F ZINC000091860434 360132925 /nfs/dbraw/zinc/13/29/25/360132925.db2.gz OLTHCYRHANNCQN-VHSXEESVSA-N 0 1 225.282 3.195 20 0 BGADMN CC(C)=CCN1CCc2cc(F)ccc2C1 ZINC000091890817 384150850 /nfs/dbraw/zinc/15/08/50/384150850.db2.gz LOCZIEQOTQYLMS-UHFFFAOYSA-N 0 1 219.303 3.150 20 0 BGADMN FC(F)(F)CCN(Cc1ccco1)CC1CC1 ZINC000091901542 384154609 /nfs/dbraw/zinc/15/46/09/384154609.db2.gz ULQFXWGZBRXCBW-UHFFFAOYSA-N 0 1 247.260 3.444 20 0 BGADMN FC(F)(F)CCN(Cc1ccoc1)CC1CC1 ZINC000091901847 644642380 /nfs/dbraw/zinc/64/23/80/644642380.db2.gz WPCMMUNQHMCYQI-UHFFFAOYSA-N 0 1 247.260 3.444 20 0 BGADMN CC1(C)CN(Cc2coc3ccccc23)CCO1 ZINC000091917372 360136469 /nfs/dbraw/zinc/13/64/69/360136469.db2.gz CHQPXZXELDSZHI-UHFFFAOYSA-N 0 1 245.322 3.044 20 0 BGADMN C/C(=C/c1ccccc1)CN1CCOC(C)(C)C1 ZINC000091917718 384153780 /nfs/dbraw/zinc/15/37/80/384153780.db2.gz AFPMQLWVONLARF-KAMYIIQDSA-N 0 1 245.366 3.201 20 0 BGADMN CC[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000091929100 345613094 /nfs/dbraw/zinc/61/30/94/345613094.db2.gz LQQYQTNYJAQOCF-SECBINFHSA-N 0 1 213.708 3.165 20 0 BGADMN CC[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000091929102 345612680 /nfs/dbraw/zinc/61/26/80/345612680.db2.gz LQQYQTNYJAQOCF-VIFPVBQESA-N 0 1 213.708 3.165 20 0 BGADMN CC[C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000091930312 360137242 /nfs/dbraw/zinc/13/72/42/360137242.db2.gz HXAGXZWRBIVOPH-SNVBAGLBSA-N 0 1 225.282 3.197 20 0 BGADMN CC[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000091930314 360137927 /nfs/dbraw/zinc/13/79/27/360137927.db2.gz HXAGXZWRBIVOPH-JTQLQIEISA-N 0 1 225.282 3.197 20 0 BGADMN COc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c(OC)c1 ZINC000091937272 360137394 /nfs/dbraw/zinc/13/73/94/360137394.db2.gz UERKQNKWFXUCRJ-TXEJJXNPSA-N 0 1 249.354 3.077 20 0 BGADMN C[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)o1 ZINC000091937286 345612744 /nfs/dbraw/zinc/61/27/44/345612744.db2.gz WYDRPLLCVNDRKR-DTORHVGOSA-N 0 1 213.708 3.306 20 0 BGADMN C[C@H]1CC[C@H](C)N1Cc1ccc(Cl)o1 ZINC000091937287 345612701 /nfs/dbraw/zinc/61/27/01/345612701.db2.gz WYDRPLLCVNDRKR-IUCAKERBSA-N 0 1 213.708 3.306 20 0 BGADMN C[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)o1 ZINC000091937288 345612733 /nfs/dbraw/zinc/61/27/33/345612733.db2.gz WYDRPLLCVNDRKR-RKDXNWHRSA-N 0 1 213.708 3.306 20 0 BGADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000091937328 360137910 /nfs/dbraw/zinc/13/79/10/360137910.db2.gz CZYFDLZBBKFXAY-AOOOYVTPSA-N 0 1 225.282 3.338 20 0 BGADMN Cc1ccn2c(C[N@@H+]3[C@H](C)CC[C@@H]3C)cnc2c1 ZINC000091937567 360137325 /nfs/dbraw/zinc/13/73/25/360137325.db2.gz WMYXBVFTWGCUNW-BETUJISGSA-N 0 1 243.354 3.016 20 0 BGADMN COc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc(OC)c1 ZINC000091937604 360137961 /nfs/dbraw/zinc/13/79/61/360137961.db2.gz IRKSGTIVFNBOJR-TXEJJXNPSA-N 0 1 249.354 3.077 20 0 BGADMN COc1cccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1OC ZINC000091937669 360137370 /nfs/dbraw/zinc/13/73/70/360137370.db2.gz GDNIUSTXBSPLTM-TXEJJXNPSA-N 0 1 249.354 3.077 20 0 BGADMN Cc1cccn2c(C[N@@H+]3[C@H](C)CC[C@@H]3C)cnc12 ZINC000091937725 360137903 /nfs/dbraw/zinc/13/79/03/360137903.db2.gz MNTDBRWBNZKIIR-BETUJISGSA-N 0 1 243.354 3.016 20 0 BGADMN COc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1OC ZINC000091937749 360137716 /nfs/dbraw/zinc/13/77/16/360137716.db2.gz IYUYEYYDGFCLTM-TXEJJXNPSA-N 0 1 249.354 3.077 20 0 BGADMN C[C@@H]1CC[C@H](C)N1Cc1c(F)cccc1F ZINC000091937938 360137608 /nfs/dbraw/zinc/13/76/08/360137608.db2.gz IYLDPAPFBLCKLW-AOOOYVTPSA-N 0 1 225.282 3.338 20 0 BGADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cccc1F ZINC000091937938 360137603 /nfs/dbraw/zinc/13/76/03/360137603.db2.gz IYLDPAPFBLCKLW-AOOOYVTPSA-N 0 1 225.282 3.338 20 0 BGADMN C[C@H]1CC[C@H](C)N1Cc1c(F)cccc1F ZINC000091937939 360137068 /nfs/dbraw/zinc/13/70/68/360137068.db2.gz IYLDPAPFBLCKLW-UWVGGRQHSA-N 0 1 225.282 3.338 20 0 BGADMN C[C@@H]1CC[C@@H](C)N1Cc1c(F)cccc1F ZINC000091937940 360137838 /nfs/dbraw/zinc/13/78/38/360137838.db2.gz IYLDPAPFBLCKLW-NXEZZACHSA-N 0 1 225.282 3.338 20 0 BGADMN CC[C@@H]1COCCN1C/C(C)=C/c1ccccc1 ZINC000091981267 384095267 /nfs/dbraw/zinc/09/52/67/384095267.db2.gz WEBFKGYWFMFXIA-WSYSLRRZSA-N 0 1 245.366 3.201 20 0 BGADMN CC[C@H]1COCCN1C/C(C)=C/c1ccccc1 ZINC000091981268 384096338 /nfs/dbraw/zinc/09/63/38/384096338.db2.gz WEBFKGYWFMFXIA-UKYUDJEDSA-N 0 1 245.366 3.201 20 0 BGADMN CC(C)CCC1CCN(Cc2c[nH]cn2)CC1 ZINC000092012821 360146471 /nfs/dbraw/zinc/14/64/71/360146471.db2.gz VRAQOQXMRPJEKL-UHFFFAOYSA-N 0 1 235.375 3.058 20 0 BGADMN CC(C)CCC1CCN(Cc2ccnn2C)CC1 ZINC000092012856 360146031 /nfs/dbraw/zinc/14/60/31/360146031.db2.gz UAPOVECCIKTQPN-UHFFFAOYSA-N 0 1 249.402 3.068 20 0 BGADMN CC(C)CCC1CCN(Cc2cc[nH]n2)CC1 ZINC000092012883 360146379 /nfs/dbraw/zinc/14/63/79/360146379.db2.gz VHDQEJIPZCZDHN-UHFFFAOYSA-N 0 1 235.375 3.058 20 0 BGADMN C/C(=C\c1ccccc1)CN1C[C@H](C)OC[C@H]1C ZINC000092017867 384109815 /nfs/dbraw/zinc/10/98/15/384109815.db2.gz VBDMMUMBVZGCSB-UXHADMKASA-N 0 1 245.366 3.199 20 0 BGADMN C/C(=C\c1ccccc1)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000092017867 384109811 /nfs/dbraw/zinc/10/98/11/384109811.db2.gz VBDMMUMBVZGCSB-UXHADMKASA-N 0 1 245.366 3.199 20 0 BGADMN CC(C)CC1CCN(Cc2cncs2)CC1 ZINC000092020823 644646108 /nfs/dbraw/zinc/64/61/08/644646108.db2.gz NFQNADGJYUZFTN-UHFFFAOYSA-N 0 1 238.400 3.401 20 0 BGADMN CC(C)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092021169 632810280 /nfs/dbraw/zinc/81/02/80/632810280.db2.gz JEVHHIDSTYFYMY-UHFFFAOYSA-N 0 1 246.354 3.409 20 0 BGADMN C[N@@H+](CCC1CC1)CC1=Cc2ccccc2OC1 ZINC000092067152 384163049 /nfs/dbraw/zinc/16/30/49/384163049.db2.gz WWPPYMJAFITORI-UHFFFAOYSA-N 0 1 243.350 3.194 20 0 BGADMN CN(CCC1CC1)Cc1cc(F)c(F)cc1F ZINC000092067228 360150250 /nfs/dbraw/zinc/15/02/50/360150250.db2.gz DYTBAIQLPJIQMI-UHFFFAOYSA-N 0 1 243.272 3.336 20 0 BGADMN CN(CCC1CC1)Cc1c(F)cccc1F ZINC000092067232 388785143 /nfs/dbraw/zinc/78/51/43/388785143.db2.gz OXOQPKQRCDSZCQ-UHFFFAOYSA-N 0 1 225.282 3.197 20 0 BGADMN CC(C)c1ncc(CN2CCCCC2)s1 ZINC000092106894 345616262 /nfs/dbraw/zinc/61/62/62/345616262.db2.gz QDSJTXXZKRRMHP-UHFFFAOYSA-N 0 1 224.373 3.252 20 0 BGADMN COc1cccc(Cl)c1CN1CCCCC1 ZINC000092106979 384144539 /nfs/dbraw/zinc/14/45/39/384144539.db2.gz LUKXMXNGTMNKLO-UHFFFAOYSA-N 0 1 239.746 3.335 20 0 BGADMN CC(C)(C)c1ncc(CN2CCCCC2)s1 ZINC000092107309 360153466 /nfs/dbraw/zinc/15/34/66/360153466.db2.gz IYZZPKIQISUXPK-UHFFFAOYSA-N 0 1 238.400 3.427 20 0 BGADMN c1nc(C2CC2)sc1CN1CCCCC1 ZINC000092107409 345616034 /nfs/dbraw/zinc/61/60/34/345616034.db2.gz VMLWJXGPNRQGRG-UHFFFAOYSA-N 0 1 222.357 3.006 20 0 BGADMN c1nc(C2CCC2)sc1CN1CCCCC1 ZINC000092107412 345616243 /nfs/dbraw/zinc/61/62/43/345616243.db2.gz SRVBSYGWUNNGGE-UHFFFAOYSA-N 0 1 236.384 3.397 20 0 BGADMN CCC[N@H+](Cc1c[nH]cn1)CC1CCCCC1 ZINC000092187606 360156196 /nfs/dbraw/zinc/15/61/96/360156196.db2.gz JJQMFOIDQPRLAH-UHFFFAOYSA-N 0 1 235.375 3.202 20 0 BGADMN C[C@H](NCc1ccccc1)c1ccc(F)cn1 ZINC000092194971 360155481 /nfs/dbraw/zinc/15/54/81/360155481.db2.gz DLXMZTMBSJHUCU-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@@H](NCc1ccccc1)c1ccc(F)cn1 ZINC000092194973 360155859 /nfs/dbraw/zinc/15/58/59/360155859.db2.gz DLXMZTMBSJHUCU-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1ccc(F)cc1)c1ccc(F)cn1 ZINC000092195096 360155976 /nfs/dbraw/zinc/15/59/76/360155976.db2.gz DKNUERUALCLCKY-JTQLQIEISA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(F)cn1 ZINC000092195103 360155538 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VVLCAOMNEDDXDB-UHFFFAOYSA-N 0 1 232.352 3.084 20 0 BGADMN Cc1ccc(CN(C)Cc2ncccc2C)cc1 ZINC000093158359 384216212 /nfs/dbraw/zinc/21/62/12/384216212.db2.gz XMNGCWNQJCVSME-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN Cc1ccc(C[N@H+](C)Cc2ncccc2C)cc1 ZINC000093158359 384216202 /nfs/dbraw/zinc/21/62/02/384216202.db2.gz XMNGCWNQJCVSME-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN Cc1cccnc1CN(C)Cc1ccccc1 ZINC000093158381 179369780 /nfs/dbraw/zinc/36/97/80/179369780.db2.gz VAEUXNXRPVDIDC-UHFFFAOYSA-N 0 1 226.323 3.022 20 0 BGADMN Fc1cccc(CN2CCCC2)c1Cl ZINC000093158385 345657630 /nfs/dbraw/zinc/65/76/30/345657630.db2.gz KYUHYNVGJTZISF-UHFFFAOYSA-N 0 1 213.683 3.075 20 0 BGADMN CCN(Cc1cccc(F)c1Cl)C1CC1 ZINC000093158815 345657986 /nfs/dbraw/zinc/65/79/86/345657986.db2.gz GQKNUNZIKIAXFG-UHFFFAOYSA-N 0 1 227.710 3.463 20 0 BGADMN CCCN(C)Cc1cccc(F)c1Cl ZINC000093168772 345658261 /nfs/dbraw/zinc/65/82/61/345658261.db2.gz UWQDPMTZRXKYNA-UHFFFAOYSA-N 0 1 215.699 3.321 20 0 BGADMN C[C@@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000093170167 345657913 /nfs/dbraw/zinc/65/79/13/345657913.db2.gz APYIVLKUBNXVML-SECBINFHSA-N 0 1 227.710 3.321 20 0 BGADMN C[C@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000093170168 345658220 /nfs/dbraw/zinc/65/82/20/345658220.db2.gz APYIVLKUBNXVML-VIFPVBQESA-N 0 1 227.710 3.321 20 0 BGADMN Cc1ccc(CN(C)Cc2ncccc2C)s1 ZINC000093171624 387217259 /nfs/dbraw/zinc/21/72/59/387217259.db2.gz VDMGITDBHIVQRK-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN Cc1ccc(C[N@H+](C)Cc2ncccc2C)s1 ZINC000093171624 387217252 /nfs/dbraw/zinc/21/72/52/387217252.db2.gz VDMGITDBHIVQRK-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN CN(Cc1cccc(F)c1Cl)C1CCC1 ZINC000093176626 345658724 /nfs/dbraw/zinc/65/87/24/345658724.db2.gz OGWZFQCIFNPSMG-UHFFFAOYSA-N 0 1 227.710 3.463 20 0 BGADMN CC[C@]1(C)CCC[N@@H+](Cc2ncccc2C)C1 ZINC000093177314 387217050 /nfs/dbraw/zinc/21/70/50/387217050.db2.gz BMKDDJOYQUYEDB-OAHLLOKOSA-N 0 1 232.371 3.402 20 0 BGADMN Cc1cccnc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000093191648 345658885 /nfs/dbraw/zinc/65/88/85/345658885.db2.gz RRUUFDBMLHSKCY-OAHLLOKOSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1cccnc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000093191649 345658750 /nfs/dbraw/zinc/65/87/50/345658750.db2.gz RRUUFDBMLHSKCY-HNNXBMFYSA-N 0 1 241.338 3.055 20 0 BGADMN c1cc(C[N@@H+](C2CC2)[C@@H]2C=CCCC2)ccn1 ZINC000093222165 191036233 /nfs/dbraw/zinc/03/62/33/191036233.db2.gz DUWCISCUXXLHHC-CQSZACIVSA-N 0 1 228.339 3.155 20 0 BGADMN CC(C)=CCN(C)[C@@H](C)c1cccnc1 ZINC000093234243 384224170 /nfs/dbraw/zinc/22/41/70/384224170.db2.gz BGIYXRRJPJONEF-LBPRGKRZSA-N 0 1 204.317 3.041 20 0 BGADMN CC(C)=CCN(C)[C@H](C)c1cccnc1 ZINC000093234246 191035908 /nfs/dbraw/zinc/03/59/08/191035908.db2.gz BGIYXRRJPJONEF-GFCCVEGCSA-N 0 1 204.317 3.041 20 0 BGADMN CC(C)=CC[N@H+](C)[C@H](C)c1cccnc1 ZINC000093234246 191035906 /nfs/dbraw/zinc/03/59/06/191035906.db2.gz BGIYXRRJPJONEF-GFCCVEGCSA-N 0 1 204.317 3.041 20 0 BGADMN CC[C@@H](C)C[N@@H+](CC)Cc1cccc(C(=O)[O-])c1 ZINC000093251472 386400048 /nfs/dbraw/zinc/40/00/48/386400048.db2.gz YABUQWZUKGIBLA-GFCCVEGCSA-N 0 1 249.354 3.253 20 0 BGADMN CC[C@H](C)C[N@@H+](CC)Cc1cccc(C(=O)[O-])c1 ZINC000093251473 171278453 /nfs/dbraw/zinc/27/84/53/171278453.db2.gz YABUQWZUKGIBLA-LBPRGKRZSA-N 0 1 249.354 3.253 20 0 BGADMN CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000093251508 384224948 /nfs/dbraw/zinc/22/49/48/384224948.db2.gz MLSRQZNKNJTWFM-GFCCVEGCSA-N 0 1 249.354 3.253 20 0 BGADMN CC[C@H](C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000093251509 171277608 /nfs/dbraw/zinc/27/76/08/171277608.db2.gz MLSRQZNKNJTWFM-LBPRGKRZSA-N 0 1 249.354 3.253 20 0 BGADMN Fc1ccc2c(c1)CC[N@@H+](C1CCCC1)C2 ZINC000093257027 388830791 /nfs/dbraw/zinc/83/07/91/388830791.db2.gz VECNVYQMYOCEIR-UHFFFAOYSA-N 0 1 219.303 3.126 20 0 BGADMN CCC(CC)[N@@H+](CCCCC(=O)[O-])CC(C)C ZINC000093309287 168371768 /nfs/dbraw/zinc/37/17/68/168371768.db2.gz QVXURPVZHHMYEI-UHFFFAOYSA-N 0 1 243.391 3.388 20 0 BGADMN CCC(CC)[N@@H+](C/C=C(/C)C(=O)[O-])CC(C)C ZINC000093309316 601181052 /nfs/dbraw/zinc/18/10/52/601181052.db2.gz FQFNJRLFKGPTQE-WQLSENKSSA-N 0 1 241.375 3.164 20 0 BGADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccco1 ZINC000093315213 176018928 /nfs/dbraw/zinc/01/89/28/176018928.db2.gz SYGUDKZBHLGAKR-NSHDSACASA-N 0 1 231.295 3.178 20 0 BGADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccco1 ZINC000093315214 177037813 /nfs/dbraw/zinc/03/78/13/177037813.db2.gz SYGUDKZBHLGAKR-LLVKDONJSA-N 0 1 231.295 3.178 20 0 BGADMN Cc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)o1 ZINC000093315475 398310644 /nfs/dbraw/zinc/31/06/44/398310644.db2.gz NFGZCHBHVLWIQL-LBPRGKRZSA-N 0 1 245.322 3.487 20 0 BGADMN Cc1ccc(CN(C)[C@H](C)c2cccc(O)c2)o1 ZINC000093315477 398310501 /nfs/dbraw/zinc/31/05/01/398310501.db2.gz NFGZCHBHVLWIQL-GFCCVEGCSA-N 0 1 245.322 3.487 20 0 BGADMN Cc1ccoc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000093315987 398310563 /nfs/dbraw/zinc/31/05/63/398310563.db2.gz WOFPWNKQNFMNIW-LBPRGKRZSA-N 0 1 245.322 3.487 20 0 BGADMN Cc1ccoc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000093315989 398310594 /nfs/dbraw/zinc/31/05/94/398310594.db2.gz WOFPWNKQNFMNIW-GFCCVEGCSA-N 0 1 245.322 3.487 20 0 BGADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccoc1 ZINC000093316078 644687292 /nfs/dbraw/zinc/68/72/92/644687292.db2.gz CLCMNCZUHMDCKR-NSHDSACASA-N 0 1 231.295 3.178 20 0 BGADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccoc1 ZINC000093316080 644685973 /nfs/dbraw/zinc/68/59/73/644685973.db2.gz CLCMNCZUHMDCKR-LLVKDONJSA-N 0 1 231.295 3.178 20 0 BGADMN Cc1csc(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000093336181 345653882 /nfs/dbraw/zinc/65/38/82/345653882.db2.gz GYAJRPRIHISPKL-GXSJLCMTSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1csc(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000093336182 345653872 /nfs/dbraw/zinc/65/38/72/345653872.db2.gz GYAJRPRIHISPKL-ONGXEEELSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1csc(CN(C)C[C@H]2CC=CCC2)n1 ZINC000093336224 360232775 /nfs/dbraw/zinc/23/27/75/360232775.db2.gz POHDAXWEBFJGDA-LBPRGKRZSA-N 0 1 236.384 3.240 20 0 BGADMN Cc1csc(CN(C)C[C@@H]2CC=CCC2)n1 ZINC000093336225 360232193 /nfs/dbraw/zinc/23/21/93/360232193.db2.gz POHDAXWEBFJGDA-GFCCVEGCSA-N 0 1 236.384 3.240 20 0 BGADMN c1coc(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000093336545 345969961 /nfs/dbraw/zinc/96/99/61/345969961.db2.gz WHFZKFCHFNLMAA-UHFFFAOYSA-N 0 1 205.301 3.046 20 0 BGADMN CCN(Cc1ccc(C)s1)Cc1ccccn1 ZINC000093338722 344314448 /nfs/dbraw/zinc/31/44/48/344314448.db2.gz JCASMSJMVHMHOI-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN CCN(Cc1sccc1C)Cc1ccccn1 ZINC000093338766 344314208 /nfs/dbraw/zinc/31/42/08/344314208.db2.gz RWIUIZSKEUXKIV-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN CC1(C)CCN(Cc2ccc(Cl)o2)C1 ZINC000093339771 345653676 /nfs/dbraw/zinc/65/36/76/345653676.db2.gz GVWVQPGVKNEQFA-UHFFFAOYSA-N 0 1 213.708 3.165 20 0 BGADMN CC1(C)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000093339781 360234324 /nfs/dbraw/zinc/23/43/24/360234324.db2.gz VNJKPYQRVPGCSD-UHFFFAOYSA-N 0 1 225.282 3.197 20 0 BGADMN CC1(C)CCN(Cc2c(F)cccc2F)C1 ZINC000093339960 360233755 /nfs/dbraw/zinc/23/37/55/360233755.db2.gz NBINRWXCPXMFFG-UHFFFAOYSA-N 0 1 225.282 3.197 20 0 BGADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1c[nH]cn1 ZINC000093361642 384232463 /nfs/dbraw/zinc/23/24/63/384232463.db2.gz FOJLLMNQHBDLPY-HNNXBMFYSA-N 0 1 243.354 3.239 20 0 BGADMN CC(C)[C@@H](c1ccccc1)N(C)Cc1cc[nH]n1 ZINC000093361697 360236593 /nfs/dbraw/zinc/23/65/93/360236593.db2.gz SLOOQDBVINYWMU-HNNXBMFYSA-N 0 1 243.354 3.239 20 0 BGADMN CC(C)[C@H](c1ccccc1)N(C)Cc1cc[nH]n1 ZINC000093361698 360237279 /nfs/dbraw/zinc/23/72/79/360237279.db2.gz SLOOQDBVINYWMU-OAHLLOKOSA-N 0 1 243.354 3.239 20 0 BGADMN C/C(=C\c1ccccc1)CN1CCO[C@H](C)[C@H]1C ZINC000093418283 397988487 /nfs/dbraw/zinc/98/84/87/397988487.db2.gz JOOUYCZFSUJDAN-MLOLEURXSA-N 0 1 245.366 3.199 20 0 BGADMN C/C(=C\c1ccccc1)CN1CCO[C@H](C)[C@@H]1C ZINC000093418284 397988495 /nfs/dbraw/zinc/98/84/95/397988495.db2.gz JOOUYCZFSUJDAN-TZLBIFBXSA-N 0 1 245.366 3.199 20 0 BGADMN Cc1ccc([C@@H]2CCCCN2Cc2cnc[nH]2)o1 ZINC000093443915 384239007 /nfs/dbraw/zinc/23/90/07/384239007.db2.gz MZZIMHHAGADHNB-ZDUSSCGKSA-N 0 1 245.326 3.038 20 0 BGADMN Cc1ccc([C@H]2CCCCN2Cc2cnc[nH]2)o1 ZINC000093443916 384238711 /nfs/dbraw/zinc/23/87/11/384238711.db2.gz MZZIMHHAGADHNB-CYBMUJFWSA-N 0 1 245.326 3.038 20 0 BGADMN Cc1cccc([C@@H]2CCCN2Cc2ccco2)n1 ZINC000093444922 360244288 /nfs/dbraw/zinc/24/42/88/360244288.db2.gz HGRDRIZGCTXAAV-HNNXBMFYSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1cccc([C@H]2CCCN2Cc2ccco2)n1 ZINC000093444923 360244921 /nfs/dbraw/zinc/24/49/21/360244921.db2.gz HGRDRIZGCTXAAV-OAHLLOKOSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1cccc([C@@H]2CCCN2Cc2ccoc2)n1 ZINC000093453557 644691570 /nfs/dbraw/zinc/69/15/70/644691570.db2.gz KLHNUEZMZSZGPX-HNNXBMFYSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1cccc([C@H]2CCCN2Cc2ccoc2)n1 ZINC000093453558 644691969 /nfs/dbraw/zinc/69/19/69/644691969.db2.gz KLHNUEZMZSZGPX-OAHLLOKOSA-N 0 1 242.322 3.320 20 0 BGADMN Clc1ccc(CN2CCC3(CCC3)C2)o1 ZINC000093455759 360244095 /nfs/dbraw/zinc/24/40/95/360244095.db2.gz ASXUJEZMVFHTAG-UHFFFAOYSA-N 0 1 225.719 3.309 20 0 BGADMN Fc1cc(F)cc(CN2CCC3(CCC3)C2)c1 ZINC000093455770 360244270 /nfs/dbraw/zinc/24/42/70/360244270.db2.gz IDDSJBFRSZSBPI-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN Fc1cccc(F)c1CN1CCC2(CCC2)C1 ZINC000093456008 360245046 /nfs/dbraw/zinc/24/50/46/360245046.db2.gz FETBJCUGFNOVDZ-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN CC(C)c1ncc(CN2CCC2(C)C)s1 ZINC000093460218 345973152 /nfs/dbraw/zinc/97/31/52/345973152.db2.gz IAYWXEGYMVBNOZ-UHFFFAOYSA-N 0 1 224.373 3.251 20 0 BGADMN CC1(C)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093460311 644687766 /nfs/dbraw/zinc/68/77/66/644687766.db2.gz AKPDTIMIANRVHY-UHFFFAOYSA-N 0 1 225.719 3.030 20 0 BGADMN CC1(C)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093460311 644687759 /nfs/dbraw/zinc/68/77/59/644687759.db2.gz AKPDTIMIANRVHY-UHFFFAOYSA-N 0 1 225.719 3.030 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC2(C)C)o1 ZINC000093460354 345672133 /nfs/dbraw/zinc/67/21/33/345672133.db2.gz WFTFSSDWAVUVHL-PWSUYJOCSA-N 0 1 219.328 3.387 20 0 BGADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC2(C)C)o1 ZINC000093460355 345671958 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RRZZCEGXDKJUSL-UHFFFAOYSA-N 0 1 241.338 3.061 20 0 BGADMN CC(C)Cc1ncc(CN2CCC2(C)C)s1 ZINC000093460503 345673045 /nfs/dbraw/zinc/67/30/45/345673045.db2.gz WTOOUZNWUALANO-UHFFFAOYSA-N 0 1 238.400 3.326 20 0 BGADMN CN(Cc1cc(Cl)ccc1F)C1CCC1 ZINC000093475876 360247345 /nfs/dbraw/zinc/24/73/45/360247345.db2.gz NLEBOBQYUDEFMS-UHFFFAOYSA-N 0 1 227.710 3.463 20 0 BGADMN CN(Cc1cccc(Cl)c1F)C1CCC1 ZINC000093475934 360247245 /nfs/dbraw/zinc/24/72/45/360247245.db2.gz RPJWSSBIUBGIGP-UHFFFAOYSA-N 0 1 227.710 3.463 20 0 BGADMN CN(Cc1cc(F)c(F)cc1F)C1CCC1 ZINC000093475946 384241536 /nfs/dbraw/zinc/24/15/36/384241536.db2.gz YXJPLKPDKBRCSD-UHFFFAOYSA-N 0 1 229.245 3.088 20 0 BGADMN CCn1c2ccccc2nc1CN(C)C1CCC1 ZINC000093475970 345672487 /nfs/dbraw/zinc/67/24/87/345672487.db2.gz JDVSVEAPFBNBDX-UHFFFAOYSA-N 0 1 243.354 3.041 20 0 BGADMN Cc1ccccc1[C@@H]1CN(CC(C)(C)C)CCO1 ZINC000093478604 487770150 /nfs/dbraw/zinc/77/01/50/487770150.db2.gz JCKREPNVCAUPEL-HNNXBMFYSA-N 0 1 247.382 3.414 20 0 BGADMN 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/nfs/dbraw/zinc/84/19/58/388841958.db2.gz OFQDKHQPHNAWDJ-ACCUITESSA-N 0 1 235.396 3.385 20 0 BGADMN CSCCN(C)Cc1cc(Cl)ccc1F ZINC000093509583 360254183 /nfs/dbraw/zinc/25/41/83/360254183.db2.gz MDICZTLFOYJCAG-UHFFFAOYSA-N 0 1 247.766 3.274 20 0 BGADMN CSCCN(C)Cc1cccc(Cl)c1F ZINC000093509641 360254886 /nfs/dbraw/zinc/25/48/86/360254886.db2.gz GLUHUICTDCOPHD-UHFFFAOYSA-N 0 1 247.766 3.274 20 0 BGADMN Cc1cccc(CN2CCOCC23CCC3)c1C ZINC000093510079 360254722 /nfs/dbraw/zinc/25/47/22/360254722.db2.gz ICFBMLIGXVGMNU-UHFFFAOYSA-N 0 1 245.366 3.058 20 0 BGADMN Cc1ccc(CN2CCOCC23CCC3)c(C)c1 ZINC000093510199 360254319 /nfs/dbraw/zinc/25/43/19/360254319.db2.gz UYDJPTVWZKPPHF-UHFFFAOYSA-N 0 1 245.366 3.058 20 0 BGADMN Cc1ccc(CN2CCOCC23CCC3)cc1C ZINC000093510371 360254220 /nfs/dbraw/zinc/25/42/20/360254220.db2.gz OQZLDCODWNWCSB-UHFFFAOYSA-N 0 1 245.366 3.058 20 0 BGADMN c1csc(C2=CCN(Cc3cc[nH]c3)CC2)c1 ZINC000093533783 360255770 /nfs/dbraw/zinc/25/57/70/360255770.db2.gz NYCBGMNOBVISAP-UHFFFAOYSA-N 0 1 244.363 3.366 20 0 BGADMN Cc1cc(CN(C)Cc2cccn2C)ccc1F ZINC000093584558 360257119 /nfs/dbraw/zinc/25/71/19/360257119.db2.gz RLWGLYJKVZTGLT-UHFFFAOYSA-N 0 1 246.329 3.105 20 0 BGADMN Cc1cc(F)ccc1CN(C)Cc1cccn1C ZINC000093584641 360256618 /nfs/dbraw/zinc/25/66/18/360256618.db2.gz OIXZGFQAEKMZJJ-UHFFFAOYSA-N 0 1 246.329 3.105 20 0 BGADMN Cc1ccc(CN(C)Cc2cccn2C)cc1F ZINC000093584870 360257313 /nfs/dbraw/zinc/25/73/13/360257313.db2.gz PZMCEPDTVYZNIS-UHFFFAOYSA-N 0 1 246.329 3.105 20 0 BGADMN Cc1ccc(CN2CCOC3(CCC3)C2)c(C)c1 ZINC000093640304 360264378 /nfs/dbraw/zinc/26/43/78/360264378.db2.gz CCGGKKUWCOIYPE-UHFFFAOYSA-N 0 1 245.366 3.058 20 0 BGADMN Cc1ccc(CN2CCOC3(CCC3)C2)cc1C ZINC000093640419 360264401 /nfs/dbraw/zinc/26/44/01/360264401.db2.gz RGOZOOMRCYYNRS-UHFFFAOYSA-N 0 1 245.366 3.058 20 0 BGADMN CC1(C)[C@@H]2CN(Cc3ccc(Cl)o3)C[C@@H]21 ZINC000093660970 345663203 /nfs/dbraw/zinc/66/32/03/345663203.db2.gz KWNLLLQTWUOOBG-AOOOYVTPSA-N 0 1 225.719 3.021 20 0 BGADMN 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c1ccc2c(c1)[nH]c1c2CCN(C2CCCC2)C1 ZINC000093759046 388850719 /nfs/dbraw/zinc/85/07/19/388850719.db2.gz WEEOCYUZSXAYKE-UHFFFAOYSA-N 0 1 240.350 3.469 20 0 BGADMN CSC[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000093760567 345663570 /nfs/dbraw/zinc/66/35/70/345663570.db2.gz JSNIWCOYBZBICJ-VIFPVBQESA-N 0 1 245.775 3.260 20 0 BGADMN CSC[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000093760569 345663285 /nfs/dbraw/zinc/66/32/85/345663285.db2.gz JSNIWCOYBZBICJ-SECBINFHSA-N 0 1 245.775 3.260 20 0 BGADMN CCc1cnc(CN(C)[C@@H]2CC[C@H](C)C2)s1 ZINC000093807452 345664315 /nfs/dbraw/zinc/66/43/15/345664315.db2.gz DQYCIVBQDWELRL-WDEREUQCSA-N 0 1 238.400 3.326 20 0 BGADMN CCc1cnc(CN(C)[C@H]2CC[C@H](C)C2)s1 ZINC000093807453 345664496 /nfs/dbraw/zinc/66/44/96/345664496.db2.gz DQYCIVBQDWELRL-QWRGUYRKSA-N 0 1 238.400 3.326 20 0 BGADMN CCc1cnc(CN(C)CC(C)(C)C)s1 ZINC000093807746 344322500 /nfs/dbraw/zinc/32/25/00/344322500.db2.gz BFXZRMBTIKZRFQ-UHFFFAOYSA-N 0 1 226.389 3.183 20 0 BGADMN C#CCN(Cc1ccc(Cl)o1)C1CCCC1 ZINC000093819706 635125939 /nfs/dbraw/zinc/12/59/39/635125939.db2.gz GMBVINNLWVQEOH-UHFFFAOYSA-N 0 1 237.730 3.311 20 0 BGADMN C#CCN(Cc1sccc1OC)C1CCCC1 ZINC000093819736 644699634 /nfs/dbraw/zinc/69/96/34/644699634.db2.gz AAYZRHLVVBJNJT-UHFFFAOYSA-N 0 1 249.379 3.135 20 0 BGADMN Cc1cc(CN2CCOCC23CCCC3)c(C)o1 ZINC000093840685 644701851 /nfs/dbraw/zinc/70/18/51/644701851.db2.gz ZWIIDLPKNPUTFU-UHFFFAOYSA-N 0 1 249.354 3.041 20 0 BGADMN c1coc([C@@H]2CN(C[C@H]3CC=CCC3)CCO2)c1 ZINC000093841234 360283440 /nfs/dbraw/zinc/28/34/40/360283440.db2.gz VVRCLPUOWVIEDN-ZFWWWQNUSA-N 0 1 247.338 3.009 20 0 BGADMN c1coc([C@H]2CN(C[C@H]3CC=CCC3)CCO2)c1 ZINC000093841235 360283074 /nfs/dbraw/zinc/28/30/74/360283074.db2.gz VVRCLPUOWVIEDN-DZGCQCFKSA-N 0 1 247.338 3.009 20 0 BGADMN Cn1cccc1[C@@H]1CCCCN1Cc1ccco1 ZINC000093845294 360284832 /nfs/dbraw/zinc/28/48/32/360284832.db2.gz SNIUBOYYLGHWKO-HNNXBMFYSA-N 0 1 244.338 3.345 20 0 BGADMN Cn1cccc1[C@H]1CCCCN1Cc1ccco1 ZINC000093845295 360284596 /nfs/dbraw/zinc/28/45/96/360284596.db2.gz SNIUBOYYLGHWKO-OAHLLOKOSA-N 0 1 244.338 3.345 20 0 BGADMN Cn1cccc1[C@@H]1CCCCN1Cc1ccoc1 ZINC000093845522 644701071 /nfs/dbraw/zinc/70/10/71/644701071.db2.gz JZXVPUIELVPCQW-HNNXBMFYSA-N 0 1 244.338 3.345 20 0 BGADMN Cn1cccc1[C@H]1CCCCN1Cc1ccoc1 ZINC000093845523 644702159 /nfs/dbraw/zinc/70/21/59/644702159.db2.gz JZXVPUIELVPCQW-OAHLLOKOSA-N 0 1 244.338 3.345 20 0 BGADMN C[C@@H]1CN(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000093867400 360284416 /nfs/dbraw/zinc/28/44/16/360284416.db2.gz WYDOTPDEZBODPO-DOMZBBRYSA-N 0 1 227.307 3.473 20 0 BGADMN C[C@H]1CN(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000093867401 360284396 /nfs/dbraw/zinc/28/43/96/360284396.db2.gz WYDOTPDEZBODPO-WFASDCNBSA-N 0 1 227.307 3.473 20 0 BGADMN C[C@@H]1CN(Cc2ccoc2)[C@@H]1c1ccccc1 ZINC000093867566 644700829 /nfs/dbraw/zinc/70/08/29/644700829.db2.gz YHECUCJUCBGWLG-DOMZBBRYSA-N 0 1 227.307 3.473 20 0 BGADMN C[C@H]1CN(Cc2ccoc2)[C@@H]1c1ccccc1 ZINC000093867567 644702202 /nfs/dbraw/zinc/70/22/02/644702202.db2.gz YHECUCJUCBGWLG-WFASDCNBSA-N 0 1 227.307 3.473 20 0 BGADMN CCN(Cn1nc(Cl)c2ccccc21)C1CC1 ZINC000093911332 644701407 /nfs/dbraw/zinc/70/14/07/644701407.db2.gz DCWFYBWQMNUAPG-UHFFFAOYSA-N 0 1 249.745 3.132 20 0 BGADMN C[C@H](NCc1ccco1)c1ccccc1N(C)C ZINC000093941159 384283308 /nfs/dbraw/zinc/28/33/08/384283308.db2.gz FJCOWCDWKYNRMG-LBPRGKRZSA-N 0 1 244.338 3.196 20 0 BGADMN C[C@@H](NCc1ccco1)c1ccccc1N(C)C ZINC000093941160 384283396 /nfs/dbraw/zinc/28/33/96/384283396.db2.gz FJCOWCDWKYNRMG-GFCCVEGCSA-N 0 1 244.338 3.196 20 0 BGADMN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1ccco1 ZINC000094076586 487512471 /nfs/dbraw/zinc/51/24/71/487512471.db2.gz DUUOMPBRCZNYOO-IINYFYTJSA-N 0 1 242.322 3.200 20 0 BGADMN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1ccco1 ZINC000094076587 487512598 /nfs/dbraw/zinc/51/25/98/487512598.db2.gz DUUOMPBRCZNYOO-QMTHXVAHSA-N 0 1 242.322 3.200 20 0 BGADMN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1ccco1 ZINC000094076588 487512332 /nfs/dbraw/zinc/51/23/32/487512332.db2.gz DUUOMPBRCZNYOO-HZMBPMFUSA-N 0 1 242.322 3.200 20 0 BGADMN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1ccco1 ZINC000094076590 487512634 /nfs/dbraw/zinc/51/26/34/487512634.db2.gz DUUOMPBRCZNYOO-YGRLFVJLSA-N 0 1 242.322 3.200 20 0 BGADMN Cc1ccnc(NCCc2ccccc2C)c1 ZINC000094185792 323188541 /nfs/dbraw/zinc/18/85/41/323188541.db2.gz HPPAVVXKTFTSNA-UHFFFAOYSA-N 0 1 226.323 3.353 20 0 BGADMN Cc1cccc(NCCc2ccccc2C)n1 ZINC000094185808 179146535 /nfs/dbraw/zinc/14/65/35/179146535.db2.gz IDLTVLHTYAZGQS-UHFFFAOYSA-N 0 1 226.323 3.353 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCCC2(C)C)n1 ZINC000094324064 360303748 /nfs/dbraw/zinc/30/37/48/360303748.db2.gz BCETZQAIKUFCCU-CQSZACIVSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@H]2CCCCC2(C)C)n1 ZINC000094324065 360304125 /nfs/dbraw/zinc/30/41/25/360304125.db2.gz BCETZQAIKUFCCU-AWEZNQCLSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1nc(CN[C@@H]2CCCCC2(C)C)oc1C ZINC000094325328 135612611 /nfs/dbraw/zinc/61/26/11/135612611.db2.gz ALMAUFGIZWBZKD-GFCCVEGCSA-N 0 1 236.359 3.350 20 0 BGADMN Cc1nc(CN[C@H]2CCCCC2(C)C)oc1C ZINC000094325329 360304170 /nfs/dbraw/zinc/30/41/70/360304170.db2.gz ALMAUFGIZWBZKD-LBPRGKRZSA-N 0 1 236.359 3.350 20 0 BGADMN c1ccc(CNCc2ccccc2C2CC2)nc1 ZINC000094357514 537836376 /nfs/dbraw/zinc/83/63/76/537836376.db2.gz RIHGQSWABXRHNJ-UHFFFAOYSA-N 0 1 238.334 3.249 20 0 BGADMN c1coc(CNCc2ccccc2C2CC2)c1 ZINC000094357522 634608060 /nfs/dbraw/zinc/60/80/60/634608060.db2.gz UCNBKXNFVBRMKQ-UHFFFAOYSA-N 0 1 227.307 3.447 20 0 BGADMN c1coc(CNCc2cccc(C3CC3)c2)c1 ZINC000094517565 360310133 /nfs/dbraw/zinc/31/01/33/360310133.db2.gz QNOWFWSSLROYRX-UHFFFAOYSA-N 0 1 227.307 3.447 20 0 BGADMN c1coc(CNCc2ccc(C3CC3)cc2)c1 ZINC000094517566 387224398 /nfs/dbraw/zinc/22/43/98/387224398.db2.gz UUMVQSYXMLMMHH-UHFFFAOYSA-N 0 1 227.307 3.447 20 0 BGADMN c1ccc(CNCc2cccc(C3CC3)c2)nc1 ZINC000094517869 487538573 /nfs/dbraw/zinc/53/85/73/487538573.db2.gz GBVUUMKDCFJLNH-UHFFFAOYSA-N 0 1 238.334 3.249 20 0 BGADMN c1ccc(CNCc2ccc(C3CC3)cc2)nc1 ZINC000094517870 360310264 /nfs/dbraw/zinc/31/02/64/360310264.db2.gz YITRVHGAMBMHSB-UHFFFAOYSA-N 0 1 238.334 3.249 20 0 BGADMN C[C@H](NCc1cccnc1)c1cc(F)cc(F)c1 ZINC000094826265 360322184 /nfs/dbraw/zinc/32/21/84/360322184.db2.gz AWOPEFQYENVGAL-JTQLQIEISA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1cccnc1)c1cc(F)cc(F)c1 ZINC000094826266 360322088 /nfs/dbraw/zinc/32/20/88/360322088.db2.gz AWOPEFQYENVGAL-SNVBAGLBSA-N 0 1 248.276 3.211 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccccn2)cc1F ZINC000094836577 360322694 /nfs/dbraw/zinc/32/26/94/360322694.db2.gz TUUZAUVJDBJLFV-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN CC(C)C[N@@H+](CCCCC(=O)[O-])C1CCCC1 ZINC000094849660 632670925 /nfs/dbraw/zinc/67/09/25/632670925.db2.gz VHKBQCVLEGCPSL-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN C[N@@H+](CCCCC(=O)[O-])C1CCC(C)(C)CC1 ZINC000094860055 632671368 /nfs/dbraw/zinc/67/13/68/632671368.db2.gz KFYCWOOJHALDLQ-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN COc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000094867432 384991214 /nfs/dbraw/zinc/99/12/14/384991214.db2.gz OCHORYOGNYGPNN-NSHDSACASA-N 0 1 231.295 3.139 20 0 BGADMN COc1ccc(CN[C@H](C)c2ccoc2)cc1 ZINC000094867433 384989917 /nfs/dbraw/zinc/98/99/17/384989917.db2.gz OCHORYOGNYGPNN-LLVKDONJSA-N 0 1 231.295 3.139 20 0 BGADMN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccoc1 ZINC000094868430 360323767 /nfs/dbraw/zinc/32/37/67/360323767.db2.gz IOUYPXUGNWDOJB-SMDDNHRTSA-N 0 1 243.306 3.454 20 0 BGADMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccoc1 ZINC000094868431 360323684 /nfs/dbraw/zinc/32/36/84/360323684.db2.gz IOUYPXUGNWDOJB-BXUZGUMPSA-N 0 1 243.306 3.454 20 0 BGADMN C[C@H](N[C@H]1CCOc2ccccc21)c1ccoc1 ZINC000094868432 360323654 /nfs/dbraw/zinc/32/36/54/360323654.db2.gz IOUYPXUGNWDOJB-FZMZJTMJSA-N 0 1 243.306 3.454 20 0 BGADMN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccoc1 ZINC000094868433 360324081 /nfs/dbraw/zinc/32/40/81/360324081.db2.gz IOUYPXUGNWDOJB-RISCZKNCSA-N 0 1 243.306 3.454 20 0 BGADMN COc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000094868882 384990048 /nfs/dbraw/zinc/99/00/48/384990048.db2.gz PPPJMJBKGVKNBF-NSHDSACASA-N 0 1 231.295 3.139 20 0 BGADMN COc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000094868883 322977674 /nfs/dbraw/zinc/97/76/74/322977674.db2.gz PPPJMJBKGVKNBF-LLVKDONJSA-N 0 1 231.295 3.139 20 0 BGADMN COCc1ccccc1CN[C@@H](C)c1ccoc1 ZINC000094868894 388874168 /nfs/dbraw/zinc/87/41/68/388874168.db2.gz SDNFSKVHBNUJGD-LBPRGKRZSA-N 0 1 245.322 3.277 20 0 BGADMN COCc1ccccc1CN[C@H](C)c1ccoc1 ZINC000094868895 388875004 /nfs/dbraw/zinc/87/50/04/388875004.db2.gz SDNFSKVHBNUJGD-GFCCVEGCSA-N 0 1 245.322 3.277 20 0 BGADMN COCc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000094869088 388874563 /nfs/dbraw/zinc/87/45/63/388874563.db2.gz GJYGXFIYXTUMNR-LBPRGKRZSA-N 0 1 245.322 3.277 20 0 BGADMN COCc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000094869089 388874185 /nfs/dbraw/zinc/87/41/85/388874185.db2.gz GJYGXFIYXTUMNR-GFCCVEGCSA-N 0 1 245.322 3.277 20 0 BGADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccoc1 ZINC000094869182 322977729 /nfs/dbraw/zinc/97/77/29/322977729.db2.gz BLMDRSFRAJIOIG-VIFPVBQESA-N 0 1 237.249 3.409 20 0 BGADMN C[C@@H](NCc1ccc(F)c(F)c1)c1ccoc1 ZINC000094869183 384998670 /nfs/dbraw/zinc/99/86/70/384998670.db2.gz BLMDRSFRAJIOIG-SECBINFHSA-N 0 1 237.249 3.409 20 0 BGADMN COc1ccccc1CNCc1cscc1C ZINC000094877007 360324113 /nfs/dbraw/zinc/32/41/13/360324113.db2.gz IINMDFCSFYRJJD-UHFFFAOYSA-N 0 1 247.363 3.355 20 0 BGADMN Cc1cscc1CNCc1cncn1C(C)C ZINC000094877689 360323982 /nfs/dbraw/zinc/32/39/82/360323982.db2.gz CTSUJHBXTCZUBW-UHFFFAOYSA-N 0 1 249.383 3.124 20 0 BGADMN CCn1cc([C@@H](C)NCc2cscc2C)cn1 ZINC000094878360 360324939 /nfs/dbraw/zinc/32/49/39/360324939.db2.gz UTNVEZJDCYJGBV-LLVKDONJSA-N 0 1 249.383 3.124 20 0 BGADMN CCn1cc([C@H](C)NCc2cscc2C)cn1 ZINC000094878361 360325142 /nfs/dbraw/zinc/32/51/42/360325142.db2.gz UTNVEZJDCYJGBV-NSHDSACASA-N 0 1 249.383 3.124 20 0 BGADMN CCC1(c2nc(C3(N)CCCC3)no2)CCCC1 ZINC000094908488 386463485 /nfs/dbraw/zinc/46/34/85/386463485.db2.gz MUSSZVNLLFGABX-UHFFFAOYSA-N 0 1 249.358 3.019 20 0 BGADMN CC1(c2nc(C3(N)CCCCC3)no2)CCCC1 ZINC000094908489 168072749 /nfs/dbraw/zinc/07/27/49/168072749.db2.gz FINJQRBWRHGDCN-UHFFFAOYSA-N 0 1 249.358 3.019 20 0 BGADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])cc1)C1(C)CC1 ZINC000094954568 386474291 /nfs/dbraw/zinc/47/42/91/386474291.db2.gz YOEPYUBHXMLBKC-NSHDSACASA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])cc1)C1(C)CC1 ZINC000094954569 386472396 /nfs/dbraw/zinc/47/23/96/386472396.db2.gz YOEPYUBHXMLBKC-LLVKDONJSA-N 0 1 247.338 3.005 20 0 BGADMN Cc1ccnc(NCCc2ccc(F)cc2C)c1 ZINC000094957674 386973891 /nfs/dbraw/zinc/97/38/91/386973891.db2.gz BMAOVFXOOZRKAX-UHFFFAOYSA-N 0 1 244.313 3.492 20 0 BGADMN Cc1cccc(NCCc2ccc(F)cc2C)n1 ZINC000094957684 179146674 /nfs/dbraw/zinc/14/66/74/179146674.db2.gz SIWLXDAQDUWKCV-UHFFFAOYSA-N 0 1 244.313 3.492 20 0 BGADMN c1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1 ZINC000095783683 541453140 /nfs/dbraw/zinc/45/31/40/541453140.db2.gz FAHSVLWBYQHQPY-INIZCTEOSA-N 0 1 239.318 3.015 20 0 BGADMN c1ccc(-c2cccc([C@H]3COCCN3)c2)cc1 ZINC000095783816 541453120 /nfs/dbraw/zinc/45/31/20/541453120.db2.gz FAHSVLWBYQHQPY-MRXNPFEDSA-N 0 1 239.318 3.015 20 0 BGADMN CCCn1c2ccccc2nc1CN1CCCC1 ZINC000096285115 384449106 /nfs/dbraw/zinc/44/91/06/384449106.db2.gz SOCKLEPAROMQDN-UHFFFAOYSA-N 0 1 243.354 3.042 20 0 BGADMN CC(C)(C)[C@@H]1CCCC[C@@H]1NCC(F)F ZINC000096525998 343760011 /nfs/dbraw/zinc/76/00/11/343760011.db2.gz AVENWHFMGBZVNM-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)[C@H]1CCCC[C@@H]1NCC(F)F ZINC000096526001 343760050 /nfs/dbraw/zinc/76/00/50/343760050.db2.gz AVENWHFMGBZVNM-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)[C@@H]1CCCC[C@H]1NCC(F)F ZINC000096526004 343760111 /nfs/dbraw/zinc/76/01/11/343760111.db2.gz AVENWHFMGBZVNM-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)[C@H]1CCCC[C@H]1NCC(F)F ZINC000096526007 343759983 /nfs/dbraw/zinc/75/99/83/343759983.db2.gz AVENWHFMGBZVNM-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)CC[N@@H+](CCCCCC(=O)[O-])C1CC1 ZINC000096634948 344379353 /nfs/dbraw/zinc/37/93/53/344379353.db2.gz ULYZIVMSQXKZQR-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN C[C@@H](c1cccc(O)c1)N(C)CCC(F)(F)F ZINC000096867342 176019508 /nfs/dbraw/zinc/01/95/08/176019508.db2.gz JHWRYNCHUOGWSV-VIFPVBQESA-N 0 1 247.260 3.337 20 0 BGADMN C[C@H](c1cccc(O)c1)N(C)CCC(F)(F)F ZINC000096867343 177036604 /nfs/dbraw/zinc/03/66/04/177036604.db2.gz JHWRYNCHUOGWSV-SECBINFHSA-N 0 1 247.260 3.337 20 0 BGADMN CC(C)C[C@H](N)c1noc(C2CCCCC2)n1 ZINC000096893532 135629489 /nfs/dbraw/zinc/62/94/89/135629489.db2.gz DDROTXYDJCPROW-NSHDSACASA-N 0 1 237.347 3.163 20 0 BGADMN CC(C)C[C@@H](N)c1noc(C2CCCCC2)n1 ZINC000096893533 360356390 /nfs/dbraw/zinc/35/63/90/360356390.db2.gz DDROTXYDJCPROW-LLVKDONJSA-N 0 1 237.347 3.163 20 0 BGADMN Cc1cccc(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000096895466 360357858 /nfs/dbraw/zinc/35/78/58/360357858.db2.gz KBEZXKDMFFOGSQ-GFCCVEGCSA-N 0 1 245.326 3.091 20 0 BGADMN Cc1cccc(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000096895467 360357850 /nfs/dbraw/zinc/35/78/50/360357850.db2.gz KBEZXKDMFFOGSQ-LBPRGKRZSA-N 0 1 245.326 3.091 20 0 BGADMN Cc1ccccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000096895468 360357737 /nfs/dbraw/zinc/35/77/37/360357737.db2.gz FBORTZZRUMERCQ-GFCCVEGCSA-N 0 1 245.326 3.091 20 0 BGADMN Cc1ccccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000096895469 360357134 /nfs/dbraw/zinc/35/71/34/360357134.db2.gz FBORTZZRUMERCQ-LBPRGKRZSA-N 0 1 245.326 3.091 20 0 BGADMN Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)cc1 ZINC000096895470 360357460 /nfs/dbraw/zinc/35/74/60/360357460.db2.gz OENJKEMDUFUHNT-GFCCVEGCSA-N 0 1 245.326 3.091 20 0 BGADMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000096895471 360357688 /nfs/dbraw/zinc/35/76/88/360357688.db2.gz OENJKEMDUFUHNT-LBPRGKRZSA-N 0 1 245.326 3.091 20 0 BGADMN CSCCN(C)Cc1ccc(Cl)s1 ZINC000096954003 384485421 /nfs/dbraw/zinc/48/54/21/384485421.db2.gz LMCPKOQHZUIQPY-UHFFFAOYSA-N 0 1 235.805 3.196 20 0 BGADMN CSCCN(C)Cc1ccccc1Cl ZINC000096954271 387230619 /nfs/dbraw/zinc/23/06/19/387230619.db2.gz VNOVKPDLYNYPDT-UHFFFAOYSA-N 0 1 229.776 3.135 20 0 BGADMN CC(C)N(C)Cc1ccc(F)cc1Cl ZINC000096969896 386412146 /nfs/dbraw/zinc/41/21/46/386412146.db2.gz MNPVLNLDKAYLCS-UHFFFAOYSA-N 0 1 215.699 3.319 20 0 BGADMN CSCCN(C)[C@@H](C)c1ccccc1F ZINC000097475698 384524294 /nfs/dbraw/zinc/52/42/94/384524294.db2.gz VCXNYIFFLSZEKV-JTQLQIEISA-N 0 1 227.348 3.182 20 0 BGADMN CSCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000097475698 384524290 /nfs/dbraw/zinc/52/42/90/384524290.db2.gz VCXNYIFFLSZEKV-JTQLQIEISA-N 0 1 227.348 3.182 20 0 BGADMN CSCCN(C)[C@H](C)c1ccccc1F ZINC000097475699 384525970 /nfs/dbraw/zinc/52/59/70/384525970.db2.gz VCXNYIFFLSZEKV-SNVBAGLBSA-N 0 1 227.348 3.182 20 0 BGADMN CSCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000097475699 384525967 /nfs/dbraw/zinc/52/59/67/384525967.db2.gz VCXNYIFFLSZEKV-SNVBAGLBSA-N 0 1 227.348 3.182 20 0 BGADMN CSCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000097475707 384525947 /nfs/dbraw/zinc/52/59/47/384525947.db2.gz HKTCTKXLIXQRDC-VIFPVBQESA-N 0 1 245.338 3.321 20 0 BGADMN CSCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000097475707 384525945 /nfs/dbraw/zinc/52/59/45/384525945.db2.gz HKTCTKXLIXQRDC-VIFPVBQESA-N 0 1 245.338 3.321 20 0 BGADMN CSCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000097475708 384524160 /nfs/dbraw/zinc/52/41/60/384524160.db2.gz HKTCTKXLIXQRDC-SECBINFHSA-N 0 1 245.338 3.321 20 0 BGADMN CSCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000097475708 384524155 /nfs/dbraw/zinc/52/41/55/384524155.db2.gz HKTCTKXLIXQRDC-SECBINFHSA-N 0 1 245.338 3.321 20 0 BGADMN Cc1ccc(CNCc2cc(F)ccc2C)o1 ZINC000097848935 487704236 /nfs/dbraw/zinc/70/42/36/487704236.db2.gz GTOMDGSYQUCPFL-UHFFFAOYSA-N 0 1 233.286 3.325 20 0 BGADMN Cc1ccc(F)cc1CN[C@H](C)c1ccccn1 ZINC000097849140 384568660 /nfs/dbraw/zinc/56/86/60/384568660.db2.gz CWNHYQSAEPXDIO-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccncc1CNCc1cc(F)ccc1C ZINC000097849254 360381192 /nfs/dbraw/zinc/38/11/92/360381192.db2.gz SSMJTGRQMJURPK-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN C[C@H](NCc1cc(F)cc(F)c1)c1ccncc1 ZINC000097901383 360382678 /nfs/dbraw/zinc/38/26/78/360382678.db2.gz MFFYNWKULVPJMA-JTQLQIEISA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1cc(F)cc(F)c1)c1ccncc1 ZINC000097901384 360382770 /nfs/dbraw/zinc/38/27/70/360382770.db2.gz MFFYNWKULVPJMA-SNVBAGLBSA-N 0 1 248.276 3.211 20 0 BGADMN CCN(Cc1cc(Cl)nc(Cl)c1)C1CC1 ZINC000098132533 631683996 /nfs/dbraw/zinc/68/39/96/631683996.db2.gz YQCTXVYNISVYHW-UHFFFAOYSA-N 0 1 245.153 3.373 20 0 BGADMN Cc1nc(CN([C@@H](C)C2CC2)C2CC2)oc1C ZINC000098132649 360389828 /nfs/dbraw/zinc/38/98/28/360389828.db2.gz AENAYPPBYHNVJS-JTQLQIEISA-N 0 1 234.343 3.054 20 0 BGADMN Cc1nc(CN([C@H](C)C2CC2)C2CC2)oc1C ZINC000098132651 360389925 /nfs/dbraw/zinc/38/99/25/360389925.db2.gz AENAYPPBYHNVJS-SNVBAGLBSA-N 0 1 234.343 3.054 20 0 BGADMN Cc1ncc(CN2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000098133217 180144591 /nfs/dbraw/zinc/14/45/91/180144591.db2.gz LRKQMFXIGVPTCB-CYBMUJFWSA-N 0 1 247.367 3.117 20 0 BGADMN Cc1ncc(CN2CCC[C@H]2c2ccc[nH]2)s1 ZINC000098133219 180144123 /nfs/dbraw/zinc/14/41/23/180144123.db2.gz LRKQMFXIGVPTCB-ZDUSSCGKSA-N 0 1 247.367 3.117 20 0 BGADMN CCc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100216811 384624355 /nfs/dbraw/zinc/62/43/55/384624355.db2.gz FJZFMFSNYMBILI-LLVKDONJSA-N 0 1 236.702 3.089 20 0 BGADMN CCc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100216814 344409988 /nfs/dbraw/zinc/40/99/88/344409988.db2.gz FJZFMFSNYMBILI-NSHDSACASA-N 0 1 236.702 3.089 20 0 BGADMN CCc1c(C)[nH]n(-c2ccc(C)cc2C)c1=O ZINC000100216817 344409932 /nfs/dbraw/zinc/40/99/32/344409932.db2.gz PDBHWJRVHIPXPA-LBPRGKRZSA-N 0 1 230.311 3.052 20 0 BGADMN CCc1c(C)[nH]n(-c2ccc(C)cc2C)c1=O ZINC000100216820 384623424 /nfs/dbraw/zinc/62/34/24/384623424.db2.gz PDBHWJRVHIPXPA-GFCCVEGCSA-N 0 1 230.311 3.052 20 0 BGADMN CCCc1cc(=O)n(-c2ccccc2Cl)[nH]1 ZINC000100217472 384623590 /nfs/dbraw/zinc/62/35/90/384623590.db2.gz IXMWOTVYGCULHC-UHFFFAOYSA-N 0 1 236.702 3.233 20 0 BGADMN CC(C)c1cc(=O)n(-c2ccccc2Cl)[nH]1 ZINC000100235136 384625725 /nfs/dbraw/zinc/62/57/25/384625725.db2.gz OWYAZBGNPIAAPD-UHFFFAOYSA-N 0 1 236.702 3.089 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c(C(C)C)cc2=O)c1 ZINC000101407474 410135831 /nfs/dbraw/zinc/13/58/31/410135831.db2.gz RYSZUUHHSOQSNH-UHFFFAOYSA-N 0 1 230.311 3.052 20 0 BGADMN Cc1cccc(CN(C)Cc2ccccn2)c1 ZINC000101545254 179067659 /nfs/dbraw/zinc/06/76/59/179067659.db2.gz OZDWKZMLUHXGJO-UHFFFAOYSA-N 0 1 226.323 3.022 20 0 BGADMN c1[nH]c(-c2ccccc2)nc1CN1CCCCC1 ZINC000101577825 183383979 /nfs/dbraw/zinc/38/39/79/183383979.db2.gz OUZLFQBPFSUWLQ-UHFFFAOYSA-N 0 1 241.338 3.063 20 0 BGADMN c1[nH]c(-c2ccccc2)nc1C[NH+]1CCCCC1 ZINC000101577825 183383977 /nfs/dbraw/zinc/38/39/77/183383977.db2.gz OUZLFQBPFSUWLQ-UHFFFAOYSA-N 0 1 241.338 3.063 20 0 BGADMN Cc1ccc(-n2[nH]c(C(C)C)cc2=O)c(C)c1 ZINC000101633737 410780873 /nfs/dbraw/zinc/78/08/73/410780873.db2.gz SOOUONKGIOTIPN-UHFFFAOYSA-N 0 1 230.311 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c(C(C)C)cc2=O)c1 ZINC000102305237 410829154 /nfs/dbraw/zinc/82/91/54/410829154.db2.gz 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BFZOGIDJFQJYPP-ZDUSSCGKSA-N 0 1 230.311 3.052 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000103340472 585096454 /nfs/dbraw/zinc/09/64/54/585096454.db2.gz WWAZASPXFBWQHB-WCFLWFBJSA-N 0 1 248.370 3.010 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000103340477 585096268 /nfs/dbraw/zinc/09/62/68/585096268.db2.gz WWAZASPXFBWQHB-KGYLQXTDSA-N 0 1 248.370 3.010 20 0 BGADMN CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000103341715 346519363 /nfs/dbraw/zinc/51/93/63/346519363.db2.gz VQSMEHSGFMEXRQ-OLZOCXBDSA-N 0 1 248.370 3.154 20 0 BGADMN CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000103341718 384609837 /nfs/dbraw/zinc/60/98/37/384609837.db2.gz VQSMEHSGFMEXRQ-STQMWFEESA-N 0 1 248.370 3.154 20 0 BGADMN CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000103341720 346519431 /nfs/dbraw/zinc/51/94/31/346519431.db2.gz VQSMEHSGFMEXRQ-CHWSQXEVSA-N 0 1 248.370 3.154 20 0 BGADMN CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000103341723 384608084 /nfs/dbraw/zinc/60/80/84/384608084.db2.gz VQSMEHSGFMEXRQ-QWHCGFSZSA-N 0 1 248.370 3.154 20 0 BGADMN CCc1c(C)[nH]n(-c2ccccc2Cl)c1=O ZINC000103464180 410899273 /nfs/dbraw/zinc/89/92/73/410899273.db2.gz QLWAFULKVDMDAA-SECBINFHSA-N 0 1 236.702 3.089 20 0 BGADMN CCc1c(C)[nH]n(-c2ccccc2Cl)c1=O ZINC000103464182 411441809 /nfs/dbraw/zinc/44/18/09/411441809.db2.gz QLWAFULKVDMDAA-VIFPVBQESA-N 0 1 236.702 3.089 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000103465642 410899033 /nfs/dbraw/zinc/89/90/33/410899033.db2.gz VWUFCNRKVKSVDH-CYBMUJFWSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccc(N2N=C3CCCCC[C@H]3C2=O)cc1 ZINC000103465642 410899027 /nfs/dbraw/zinc/89/90/27/410899027.db2.gz VWUFCNRKVKSVDH-CYBMUJFWSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCCC3)cc1 ZINC000103465645 410898613 /nfs/dbraw/zinc/89/86/13/410898613.db2.gz VWUFCNRKVKSVDH-ZDUSSCGKSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccc(N2N=C3CCCCC[C@@H]3C2=O)cc1 ZINC000103465645 410898610 /nfs/dbraw/zinc/89/86/10/410898610.db2.gz VWUFCNRKVKSVDH-ZDUSSCGKSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1nc(CN(C2CC2)C2CCCC2)oc1C ZINC000103465988 323250307 /nfs/dbraw/zinc/25/03/07/323250307.db2.gz RFQWSMUQQRHMRY-UHFFFAOYSA-N 0 1 234.343 3.198 20 0 BGADMN CCCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000104058978 169276503 /nfs/dbraw/zinc/27/65/03/169276503.db2.gz DLPIOVWWDOMTCY-JTQLQIEISA-N 0 1 237.347 3.178 20 0 BGADMN CCCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000104058983 169288024 /nfs/dbraw/zinc/28/80/24/169288024.db2.gz DLPIOVWWDOMTCY-SNVBAGLBSA-N 0 1 237.347 3.178 20 0 BGADMN O=c1c2c([nH]n1-c1cccc(F)c1)CCCCC2 ZINC000104060653 182838489 /nfs/dbraw/zinc/83/84/89/182838489.db2.gz RXZGAEBWMZRZFY-GFCCVEGCSA-N 0 1 246.285 3.109 20 0 BGADMN O=C1[C@@H]2CCCCCC2=NN1c1cccc(F)c1 ZINC000104060653 182838486 /nfs/dbraw/zinc/83/84/86/182838486.db2.gz RXZGAEBWMZRZFY-GFCCVEGCSA-N 0 1 246.285 3.109 20 0 BGADMN O=c1c2c([nH]n1-c1cccc(F)c1)CCCCC2 ZINC000104060656 410922742 /nfs/dbraw/zinc/92/27/42/410922742.db2.gz RXZGAEBWMZRZFY-LBPRGKRZSA-N 0 1 246.285 3.109 20 0 BGADMN O=C1[C@H]2CCCCCC2=NN1c1cccc(F)c1 ZINC000104060656 410922737 /nfs/dbraw/zinc/92/27/37/410922737.db2.gz RXZGAEBWMZRZFY-LBPRGKRZSA-N 0 1 246.285 3.109 20 0 BGADMN Cc1nc(CN2[C@H](C)CCC[C@@H]2C)oc1C ZINC000104078776 384660953 /nfs/dbraw/zinc/66/09/53/384660953.db2.gz AHAAIEYRKYJBSY-AOOOYVTPSA-N 0 1 222.332 3.054 20 0 BGADMN Cc1nc(CN2[C@@H](C)CCC[C@@H]2C)oc1C ZINC000104078779 384661281 /nfs/dbraw/zinc/66/12/81/384661281.db2.gz AHAAIEYRKYJBSY-UWVGGRQHSA-N 0 1 222.332 3.054 20 0 BGADMN Cc1nc(CN2[C@H](C)CCC[C@H]2C)oc1C ZINC000104078782 384660207 /nfs/dbraw/zinc/66/02/07/384660207.db2.gz AHAAIEYRKYJBSY-NXEZZACHSA-N 0 1 222.332 3.054 20 0 BGADMN CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C ZINC000104148681 410926575 /nfs/dbraw/zinc/92/65/75/410926575.db2.gz PPGKFIOADOVCQP-MRVPVSSYSA-N 0 1 236.702 3.089 20 0 BGADMN CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C ZINC000104148685 410927082 /nfs/dbraw/zinc/92/70/82/410927082.db2.gz PPGKFIOADOVCQP-QMMMGPOBSA-N 0 1 236.702 3.089 20 0 BGADMN CCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C ZINC000104149317 410927056 /nfs/dbraw/zinc/92/70/56/410927056.db2.gz ZBGVYMMWAVSRTP-MRVPVSSYSA-N 0 1 236.702 3.089 20 0 BGADMN CCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C ZINC000104149322 410925351 /nfs/dbraw/zinc/92/53/51/410925351.db2.gz ZBGVYMMWAVSRTP-QMMMGPOBSA-N 0 1 236.702 3.089 20 0 BGADMN CCc1[nH]n(-c2cc(C)ccc2C)c(=O)c1C ZINC000104159149 410926917 /nfs/dbraw/zinc/92/69/17/410926917.db2.gz LOUBWFCGOLZKTJ-LLVKDONJSA-N 0 1 230.311 3.052 20 0 BGADMN CCc1[nH]n(-c2cc(C)ccc2C)c(=O)c1C ZINC000104159152 410925759 /nfs/dbraw/zinc/92/57/59/410925759.db2.gz LOUBWFCGOLZKTJ-NSHDSACASA-N 0 1 230.311 3.052 20 0 BGADMN CCc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1C ZINC000104159155 410926676 /nfs/dbraw/zinc/92/66/76/410926676.db2.gz HAZBPARLCHFACL-LLVKDONJSA-N 0 1 230.311 3.052 20 0 BGADMN CCc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1C ZINC000104159159 410926615 /nfs/dbraw/zinc/92/66/15/410926615.db2.gz HAZBPARLCHFACL-NSHDSACASA-N 0 1 230.311 3.052 20 0 BGADMN CCCc1cc(=O)n(C2CCCCCC2)[nH]1 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/nfs/dbraw/zinc/79/34/69/582793469.db2.gz CHXYNNHMVMRARU-VMPITWQZSA-N 0 1 243.350 3.001 20 0 BGADMN Cc1cc(F)ccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000104428803 178088654 /nfs/dbraw/zinc/08/86/54/178088654.db2.gz VWZGXYZJRLIZHA-LLVKDONJSA-N 0 1 246.285 3.027 20 0 BGADMN Cc1cc(F)ccc1N1N=C2CCCC[C@H]2C1=O ZINC000104428803 178088650 /nfs/dbraw/zinc/08/86/50/178088650.db2.gz VWZGXYZJRLIZHA-LLVKDONJSA-N 0 1 246.285 3.027 20 0 BGADMN Cc1cc(F)ccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000104428809 178088283 /nfs/dbraw/zinc/08/82/83/178088283.db2.gz VWZGXYZJRLIZHA-NSHDSACASA-N 0 1 246.285 3.027 20 0 BGADMN Cc1cc(F)ccc1N1N=C2CCCC[C@@H]2C1=O ZINC000104428809 178088281 /nfs/dbraw/zinc/08/82/81/178088281.db2.gz VWZGXYZJRLIZHA-NSHDSACASA-N 0 1 246.285 3.027 20 0 BGADMN CC[C@@H](C)N(C)Cc1csc(C(C)C)n1 ZINC000104686044 323285485 /nfs/dbraw/zinc/28/54/85/323285485.db2.gz RXYMUUXYKUEBST-SNVBAGLBSA-N 0 1 226.389 3.497 20 0 BGADMN CC[C@H](C)N(C)Cc1csc(C(C)C)n1 ZINC000104686048 323285469 /nfs/dbraw/zinc/28/54/69/323285469.db2.gz 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0 1 248.713 3.233 20 0 BGADMN O=C1[C@@H]2CCCCC2=NN1c1ccc(Cl)cc1 ZINC000104708840 410947939 /nfs/dbraw/zinc/94/79/39/410947939.db2.gz WCNCJSZPIXYVJQ-LLVKDONJSA-N 0 1 248.713 3.233 20 0 BGADMN O=c1c2c([nH]n1-c1ccc(Cl)cc1)CCCC2 ZINC000104708843 410948788 /nfs/dbraw/zinc/94/87/88/410948788.db2.gz WCNCJSZPIXYVJQ-NSHDSACASA-N 0 1 248.713 3.233 20 0 BGADMN O=C1[C@H]2CCCCC2=NN1c1ccc(Cl)cc1 ZINC000104708843 410948783 /nfs/dbraw/zinc/94/87/83/410948783.db2.gz WCNCJSZPIXYVJQ-NSHDSACASA-N 0 1 248.713 3.233 20 0 BGADMN O=c1c2c([nH]n1-c1cccc(Cl)c1)CCCC2 ZINC000104708947 410948508 /nfs/dbraw/zinc/94/85/08/410948508.db2.gz ROCUYJMMYBPAGW-LLVKDONJSA-N 0 1 248.713 3.233 20 0 BGADMN O=C1[C@@H]2CCCCC2=NN1c1cccc(Cl)c1 ZINC000104708947 410948501 /nfs/dbraw/zinc/94/85/01/410948501.db2.gz ROCUYJMMYBPAGW-LLVKDONJSA-N 0 1 248.713 3.233 20 0 BGADMN O=c1c2c([nH]n1-c1cccc(Cl)c1)CCCC2 ZINC000104708951 410948049 /nfs/dbraw/zinc/94/80/49/410948049.db2.gz ROCUYJMMYBPAGW-NSHDSACASA-N 0 1 248.713 3.233 20 0 BGADMN O=C1[C@H]2CCCCC2=NN1c1cccc(Cl)c1 ZINC000104708951 410948044 /nfs/dbraw/zinc/94/80/44/410948044.db2.gz ROCUYJMMYBPAGW-NSHDSACASA-N 0 1 248.713 3.233 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CCCC3)c1 ZINC000104708966 410947039 /nfs/dbraw/zinc/94/70/39/410947039.db2.gz YWQBAMZVNDKAHF-GFCCVEGCSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(C)c(N2N=C3CCCC[C@H]3C2=O)c1 ZINC000104708966 410947034 /nfs/dbraw/zinc/94/70/34/410947034.db2.gz YWQBAMZVNDKAHF-GFCCVEGCSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CCCC3)c1 ZINC000104708972 410948190 /nfs/dbraw/zinc/94/81/90/410948190.db2.gz YWQBAMZVNDKAHF-LBPRGKRZSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(C)c(N2N=C3CCCC[C@@H]3C2=O)c1 ZINC000104708972 410948187 /nfs/dbraw/zinc/94/81/87/410948187.db2.gz YWQBAMZVNDKAHF-LBPRGKRZSA-N 0 1 242.322 3.196 20 0 BGADMN O=c1c2c([nH]n1-c1ccccc1Cl)CCCC2 ZINC000104708993 410948209 /nfs/dbraw/zinc/94/82/09/410948209.db2.gz MVURRXICUPCKFB-SECBINFHSA-N 0 1 248.713 3.233 20 0 BGADMN O=C1[C@@H]2CCCCC2=NN1c1ccccc1Cl ZINC000104708993 410948201 /nfs/dbraw/zinc/94/82/01/410948201.db2.gz MVURRXICUPCKFB-SECBINFHSA-N 0 1 248.713 3.233 20 0 BGADMN O=c1c2c([nH]n1-c1ccccc1Cl)CCCC2 ZINC000104708996 410947823 /nfs/dbraw/zinc/94/78/23/410947823.db2.gz MVURRXICUPCKFB-VIFPVBQESA-N 0 1 248.713 3.233 20 0 BGADMN O=C1[C@H]2CCCCC2=NN1c1ccccc1Cl ZINC000104708996 410947816 /nfs/dbraw/zinc/94/78/16/410947816.db2.gz MVURRXICUPCKFB-VIFPVBQESA-N 0 1 248.713 3.233 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCC3)c(C)c1 ZINC000104709001 410948566 /nfs/dbraw/zinc/94/85/66/410948566.db2.gz GWXBOOKQRDBVKK-GFCCVEGCSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(N2N=C3CCCC[C@H]3C2=O)c(C)c1 ZINC000104709001 410948561 /nfs/dbraw/zinc/94/85/61/410948561.db2.gz GWXBOOKQRDBVKK-GFCCVEGCSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CCCC3)c(C)c1 ZINC000104709005 410948172 /nfs/dbraw/zinc/94/81/72/410948172.db2.gz GWXBOOKQRDBVKK-LBPRGKRZSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(N2N=C3CCCC[C@@H]3C2=O)c(C)c1 ZINC000104709005 410948164 /nfs/dbraw/zinc/94/81/64/410948164.db2.gz GWXBOOKQRDBVKK-LBPRGKRZSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CCCC3)c1 ZINC000104709019 410947600 /nfs/dbraw/zinc/94/76/00/410947600.db2.gz DNLNRJJAQLCVIA-CYBMUJFWSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1cc(C)cc(N2N=C3CCCC[C@H]3C2=O)c1 ZINC000104709019 410947596 /nfs/dbraw/zinc/94/75/96/410947596.db2.gz DNLNRJJAQLCVIA-CYBMUJFWSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CCCC3)c1 ZINC000104709021 410948281 /nfs/dbraw/zinc/94/82/81/410948281.db2.gz DNLNRJJAQLCVIA-ZDUSSCGKSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1cc(C)cc(N2N=C3CCCC[C@@H]3C2=O)c1 ZINC000104709021 410948277 /nfs/dbraw/zinc/94/82/77/410948277.db2.gz DNLNRJJAQLCVIA-ZDUSSCGKSA-N 0 1 242.322 3.196 20 0 BGADMN CCc1c(C)[nH]n(-c2cc(C)ccc2C)c1=O ZINC000104742385 410955310 /nfs/dbraw/zinc/95/53/10/410955310.db2.gz YHDWXQFBWLANLA-GFCCVEGCSA-N 0 1 230.311 3.052 20 0 BGADMN CCc1c(C)[nH]n(-c2cc(C)ccc2C)c1=O ZINC000104742388 410955657 /nfs/dbraw/zinc/95/56/57/410955657.db2.gz YHDWXQFBWLANLA-LBPRGKRZSA-N 0 1 230.311 3.052 20 0 BGADMN CCN(Cc1cccs1)Cc1ccccn1 ZINC000104944040 344462391 /nfs/dbraw/zinc/46/23/91/344462391.db2.gz MWFCGKLQDZGHIK-UHFFFAOYSA-N 0 1 232.352 3.165 20 0 BGADMN Cc1ccc(CN(Cc2ccccn2)C(C)C)o1 ZINC000104948564 368345389 /nfs/dbraw/zinc/34/53/89/368345389.db2.gz NQDIJZLOWQRCEJ-UHFFFAOYSA-N 0 1 244.338 3.394 20 0 BGADMN CC[C@@H](C)[C@@H](C)N(Cc1cc(C)on1)C1CC1 ZINC000104966120 384726823 /nfs/dbraw/zinc/72/68/23/384726823.db2.gz DNHPSYZGFRZJEB-ZYHUDNBSSA-N 0 1 236.359 3.382 20 0 BGADMN CC[C@H](C)[C@@H](C)N(Cc1cc(C)on1)C1CC1 ZINC000104966123 171361651 /nfs/dbraw/zinc/36/16/51/171361651.db2.gz DNHPSYZGFRZJEB-CMPLNLGQSA-N 0 1 236.359 3.382 20 0 BGADMN CC[C@@H](C)[C@H](C)N(Cc1cc(C)on1)C1CC1 ZINC000104966127 170788370 /nfs/dbraw/zinc/78/83/70/170788370.db2.gz DNHPSYZGFRZJEB-PWSUYJOCSA-N 0 1 236.359 3.382 20 0 BGADMN CC[C@H](C)[C@H](C)N(Cc1cc(C)on1)C1CC1 ZINC000104966130 171386320 /nfs/dbraw/zinc/38/63/20/171386320.db2.gz DNHPSYZGFRZJEB-JQWIXIFHSA-N 0 1 236.359 3.382 20 0 BGADMN C[C@@H]1c2cccn2CCN1CC1CCCCC1 ZINC000105031811 384853181 /nfs/dbraw/zinc/85/31/81/384853181.db2.gz LPSXVRRLZDZJCU-CYBMUJFWSA-N 0 1 232.371 3.445 20 0 BGADMN C[C@H]1c2cccn2CCN1CC1CCCCC1 ZINC000105031813 323344911 /nfs/dbraw/zinc/34/49/11/323344911.db2.gz LPSXVRRLZDZJCU-ZDUSSCGKSA-N 0 1 232.371 3.445 20 0 BGADMN c1sc(CN2CCCC2)nc1-c1ccccc1 ZINC000105416303 183381751 /nfs/dbraw/zinc/38/17/51/183381751.db2.gz YJHBLFUPTKDGPR-UHFFFAOYSA-N 0 1 244.363 3.406 20 0 BGADMN c1cc(CN[C@@H](c2ccccc2)C2CCC2)n[nH]1 ZINC000105430620 384870085 /nfs/dbraw/zinc/87/00/85/384870085.db2.gz GKDUSUPJZJXUBX-HNNXBMFYSA-N 0 1 241.338 3.041 20 0 BGADMN c1cc(CN[C@H](c2ccccc2)C2CCC2)n[nH]1 ZINC000105430623 384867635 /nfs/dbraw/zinc/86/76/35/384867635.db2.gz GKDUSUPJZJXUBX-OAHLLOKOSA-N 0 1 241.338 3.041 20 0 BGADMN C/C(=C/c1ccccc1)CNCc1cc(C)no1 ZINC000105455361 384783546 /nfs/dbraw/zinc/78/35/46/384783546.db2.gz JEBYGEQBOMYNTB-WQLSENKSSA-N 0 1 242.322 3.176 20 0 BGADMN c1nc(CNC2CC(c3ccccc3)C2)cs1 ZINC000105492413 183390773 /nfs/dbraw/zinc/39/07/73/183390773.db2.gz RRPYDMJGQISEIM-UHFFFAOYSA-N 0 1 244.363 3.179 20 0 BGADMN Cc1cccc2c1CC[C@@H]2NCc1ccco1 ZINC000105496984 179214124 /nfs/dbraw/zinc/21/41/24/179214124.db2.gz KGFVANUUOQOMPF-HNNXBMFYSA-N 0 1 227.307 3.365 20 0 BGADMN Cc1cccc2c1CC[C@H]2NCc1ccco1 ZINC000105496987 179216186 /nfs/dbraw/zinc/21/61/86/179216186.db2.gz KGFVANUUOQOMPF-OAHLLOKOSA-N 0 1 227.307 3.365 20 0 BGADMN Cc1ccccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000105668686 369061272 /nfs/dbraw/zinc/06/12/72/369061272.db2.gz GJWIMPZZIWEOKX-GFCCVEGCSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccccc1N1N=C2CCCCC[C@H]2C1=O ZINC000105668686 369061267 /nfs/dbraw/zinc/06/12/67/369061267.db2.gz GJWIMPZZIWEOKX-GFCCVEGCSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000105668689 369061693 /nfs/dbraw/zinc/06/16/93/369061693.db2.gz GJWIMPZZIWEOKX-LBPRGKRZSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccccc1N1N=C2CCCCC[C@@H]2C1=O ZINC000105668689 369061689 /nfs/dbraw/zinc/06/16/89/369061689.db2.gz GJWIMPZZIWEOKX-LBPRGKRZSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1cccc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000105668796 369061873 /nfs/dbraw/zinc/06/18/73/369061873.db2.gz GZPAZGLBLRHCMS-CYBMUJFWSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1cccc(N2N=C3CCCCC[C@H]3C2=O)c1 ZINC000105668796 369061870 /nfs/dbraw/zinc/06/18/70/369061870.db2.gz GZPAZGLBLRHCMS-CYBMUJFWSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1cccc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000105668799 369062176 /nfs/dbraw/zinc/06/21/76/369062176.db2.gz GZPAZGLBLRHCMS-ZDUSSCGKSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1cccc(N2N=C3CCCCC[C@@H]3C2=O)c1 ZINC000105668799 369062173 /nfs/dbraw/zinc/06/21/73/369062173.db2.gz GZPAZGLBLRHCMS-ZDUSSCGKSA-N 0 1 242.322 3.278 20 0 BGADMN O=c1c2c([nH]n1-c1ccc(F)cc1)CCCCC2 ZINC000105668890 369061450 /nfs/dbraw/zinc/06/14/50/369061450.db2.gz PKUYEXLZDASRID-GFCCVEGCSA-N 0 1 246.285 3.109 20 0 BGADMN O=C1[C@@H]2CCCCCC2=NN1c1ccc(F)cc1 ZINC000105668890 369061444 /nfs/dbraw/zinc/06/14/44/369061444.db2.gz PKUYEXLZDASRID-GFCCVEGCSA-N 0 1 246.285 3.109 20 0 BGADMN O=c1c2c([nH]n1-c1ccc(F)cc1)CCCCC2 ZINC000105668894 369061633 /nfs/dbraw/zinc/06/16/33/369061633.db2.gz PKUYEXLZDASRID-LBPRGKRZSA-N 0 1 246.285 3.109 20 0 BGADMN O=C1[C@H]2CCCCCC2=NN1c1ccc(F)cc1 ZINC000105668894 369061630 /nfs/dbraw/zinc/06/16/30/369061630.db2.gz PKUYEXLZDASRID-LBPRGKRZSA-N 0 1 246.285 3.109 20 0 BGADMN CC(C)c1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000106123522 387944864 /nfs/dbraw/zinc/94/48/64/387944864.db2.gz UCAUQRZPCOTVDY-UHFFFAOYSA-N 0 1 247.382 3.421 20 0 BGADMN c1ccc(OCCN2Cc3ccccc3C2)cc1 ZINC000106303855 384908530 /nfs/dbraw/zinc/90/85/30/384908530.db2.gz RAJJEHNDAICXFF-UHFFFAOYSA-N 0 1 239.318 3.081 20 0 BGADMN CCC(CC)CN(CC)Cc1nccn1CC ZINC000106382762 168350172 /nfs/dbraw/zinc/35/01/72/168350172.db2.gz YPIMCODMJPWINY-UHFFFAOYSA-N 0 1 237.391 3.161 20 0 BGADMN CC[C@@H](C)[C@@H](C)N(Cc1nccn1CC)C1CC1 ZINC000106386300 385507155 /nfs/dbraw/zinc/50/71/55/385507155.db2.gz ZJVZPOWJIYZMRL-CHWSQXEVSA-N 0 1 249.402 3.302 20 0 BGADMN CC[C@H](C)[C@@H](C)N(Cc1nccn1CC)C1CC1 ZINC000106386302 171361747 /nfs/dbraw/zinc/36/17/47/171361747.db2.gz ZJVZPOWJIYZMRL-QWHCGFSZSA-N 0 1 249.402 3.302 20 0 BGADMN CC[C@@H](C)[C@H](C)N(Cc1nccn1CC)C1CC1 ZINC000106386304 385507145 /nfs/dbraw/zinc/50/71/45/385507145.db2.gz ZJVZPOWJIYZMRL-OLZOCXBDSA-N 0 1 249.402 3.302 20 0 BGADMN CC[C@H](C)[C@H](C)N(Cc1nccn1CC)C1CC1 ZINC000106386306 171385772 /nfs/dbraw/zinc/38/57/72/171385772.db2.gz ZJVZPOWJIYZMRL-STQMWFEESA-N 0 1 249.402 3.302 20 0 BGADMN Cc1ccc2nc(SCC(F)F)[nH]c2c1 ZINC000106404873 385507715 /nfs/dbraw/zinc/50/77/15/385507715.db2.gz YKDLJXZHQQCTNU-UHFFFAOYSA-N 0 1 228.267 3.229 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccccn2)cc1F ZINC000106409807 384915417 /nfs/dbraw/zinc/91/54/17/384915417.db2.gz DGIUGRDSIGBKOV-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccccn2)cc1F ZINC000106409810 384916576 /nfs/dbraw/zinc/91/65/76/384916576.db2.gz DGIUGRDSIGBKOV-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc(CNCc2ccc(C)c(F)c2)cn1 ZINC000106410247 384917227 /nfs/dbraw/zinc/91/72/27/384917227.db2.gz IXRATEOTRZNEAQ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Fc1ccc2c(c1)[C@H](NCc1ccco1)CC2 ZINC000106478103 384921052 /nfs/dbraw/zinc/92/10/52/384921052.db2.gz ZFMSCZHCNRWXPK-CQSZACIVSA-N 0 1 231.270 3.196 20 0 BGADMN Fc1ccc2c(c1)[C@@H](NCc1ccco1)CC2 ZINC000106478107 384921995 /nfs/dbraw/zinc/92/19/95/384921995.db2.gz ZFMSCZHCNRWXPK-AWEZNQCLSA-N 0 1 231.270 3.196 20 0 BGADMN C[C@@H]1c2ccccc2CCN1C/C=C/Cl ZINC000106935393 588316944 /nfs/dbraw/zinc/31/69/44/588316944.db2.gz ZKJSWSYTWXWGRT-SOZJPDODSA-N 0 1 221.731 3.358 20 0 BGADMN C[C@H]1c2ccccc2CCN1C/C=C/Cl ZINC000106935394 588316544 /nfs/dbraw/zinc/31/65/44/588316544.db2.gz ZKJSWSYTWXWGRT-VUQUXZKVSA-N 0 1 221.731 3.358 20 0 BGADMN CC(C)(C)c1nc(CNC2CCC2)cs1 ZINC000107322782 385195504 /nfs/dbraw/zinc/19/55/04/385195504.db2.gz 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ZINC000132749814 325242899 /nfs/dbraw/zinc/24/28/99/325242899.db2.gz UQGPVHKXLAWNSI-UHFFFAOYSA-N 0 1 247.338 3.446 20 0 BGADMN Fc1ccc(CN2CCc3ccsc3C2)cc1 ZINC000132808748 325246716 /nfs/dbraw/zinc/24/67/16/325246716.db2.gz HJLJIVOZWFQJQE-UHFFFAOYSA-N 0 1 247.338 3.446 20 0 BGADMN O=c1cc(C2CCCC2)[nH]n1-c1ccc(F)cc1 ZINC000132844202 591742912 /nfs/dbraw/zinc/74/29/12/591742912.db2.gz LKOAVLFRIANPKV-UHFFFAOYSA-N 0 1 246.285 3.109 20 0 BGADMN Cc1ccccc1-n1[nH]c(C2CCCC2)cc1=O ZINC000132844869 591743395 /nfs/dbraw/zinc/74/33/95/591743395.db2.gz FDOXTGAHTFAXLL-UHFFFAOYSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1cccc(-n2[nH]c(C3CCCC3)cc2=O)c1 ZINC000132845557 591743387 /nfs/dbraw/zinc/74/33/87/591743387.db2.gz YHVMSWZMTHVKCE-UHFFFAOYSA-N 0 1 242.322 3.278 20 0 BGADMN Cc1ccc(-n2[nH]c(C3CCCC3)cc2=O)cc1 ZINC000132846834 591743094 /nfs/dbraw/zinc/74/30/94/591743094.db2.gz BKHSEALNJNVKHD-UHFFFAOYSA-N 0 1 242.322 3.278 20 0 BGADMN O=c1cc(C2CCCC2)[nH]n1C1CCCCC1 ZINC000132859145 591742947 /nfs/dbraw/zinc/74/29/47/591742947.db2.gz IRGQDJQSILQTIC-UHFFFAOYSA-N 0 1 234.343 3.098 20 0 BGADMN O=c1cc(C2CCCC2)[nH]n1C1CCCCCC1 ZINC000132859786 591743287 /nfs/dbraw/zinc/74/32/87/591743287.db2.gz HHKWUUDBIVYEDK-UHFFFAOYSA-N 0 1 248.370 3.488 20 0 BGADMN O=c1cc(C2CCCC2)[nH]n1-c1cccc(F)c1 ZINC000132864985 591742870 /nfs/dbraw/zinc/74/28/70/591742870.db2.gz ITFFLEOQNHCVAP-UHFFFAOYSA-N 0 1 246.285 3.109 20 0 BGADMN COc1cccc(Cl)c1CN[C@H]1CC1(C)C ZINC000132927090 358739590 /nfs/dbraw/zinc/73/95/90/358739590.db2.gz ZQVBGDHSVQQXPT-LBPRGKRZSA-N 0 1 239.746 3.237 20 0 BGADMN COc1cccc(Cl)c1CN[C@@H]1CC1(C)C ZINC000132927278 358739381 /nfs/dbraw/zinc/73/93/81/358739381.db2.gz ZQVBGDHSVQQXPT-GFCCVEGCSA-N 0 1 239.746 3.237 20 0 BGADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nccs1 ZINC000132932459 177080705 /nfs/dbraw/zinc/08/07/05/177080705.db2.gz KRZINUVWDGZYHP-QWRGUYRKSA-N 0 1 224.373 3.154 20 0 BGADMN FC(F)(F)CCN1CCc2ccsc2C1 ZINC000132942484 384263253 /nfs/dbraw/zinc/26/32/53/384263253.db2.gz DSTWOFSZYNTBEF-UHFFFAOYSA-N 0 1 235.274 3.059 20 0 BGADMN Cc1ccc(CN(C)Cc2ccccc2C)nc1 ZINC000133031382 325261382 /nfs/dbraw/zinc/26/13/82/325261382.db2.gz AVEICIOXJFLQBQ-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN CCCN(C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000133068742 591761001 /nfs/dbraw/zinc/76/10/01/591761001.db2.gz BOZJSELNIHVPAX-UHFFFAOYSA-N 0 1 243.354 3.158 20 0 BGADMN Fc1cccc2c1CC[C@@H]2NCc1cncs1 ZINC000133075061 181005732 /nfs/dbraw/zinc/00/57/32/181005732.db2.gz OCBOXNSWKBILNZ-ZDUSSCGKSA-N 0 1 248.326 3.059 20 0 BGADMN Fc1cccc2c1CC[C@H]2NCc1cncs1 ZINC000133075292 181007357 /nfs/dbraw/zinc/00/73/57/181007357.db2.gz OCBOXNSWKBILNZ-CYBMUJFWSA-N 0 1 248.326 3.059 20 0 BGADMN Cc1ccc2c(c1)[C@H](NCc1cncs1)CC2 ZINC000133098805 491146590 /nfs/dbraw/zinc/14/65/90/491146590.db2.gz JMCGTVBMJGXVAB-CQSZACIVSA-N 0 1 244.363 3.229 20 0 BGADMN Cc1ccc2c(c1)[C@@H](NCc1cncs1)CC2 ZINC000133099023 491146566 /nfs/dbraw/zinc/14/65/66/491146566.db2.gz JMCGTVBMJGXVAB-AWEZNQCLSA-N 0 1 244.363 3.229 20 0 BGADMN c1ncc(CNCc2coc3ccccc23)s1 ZINC000133110678 358745425 /nfs/dbraw/zinc/74/54/25/358745425.db2.gz AWVARFJIPORMMK-UHFFFAOYSA-N 0 1 244.319 3.179 20 0 BGADMN CC(C)C[C@@H]1CCCCC[N@H+]1CCCC(=O)[O-] ZINC000133169567 187361238 /nfs/dbraw/zinc/36/12/38/187361238.db2.gz XJZSCFGHIBTHBC-ZDUSSCGKSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)C[C@H]1CCCCC[N@H+]1CCCC(=O)[O-] ZINC000133169760 188050131 /nfs/dbraw/zinc/05/01/31/188050131.db2.gz XJZSCFGHIBTHBC-CYBMUJFWSA-N 0 1 241.375 3.142 20 0 BGADMN C[C@H](NCCCF)c1ncc(-c2ccccc2)o1 ZINC000133235438 384278932 /nfs/dbraw/zinc/27/89/32/384278932.db2.gz CHLREPIRJCKUDZ-NSHDSACASA-N 0 1 248.301 3.352 20 0 BGADMN C[C@@H](NCCCF)c1ncc(-c2ccccc2)o1 ZINC000133235639 384278995 /nfs/dbraw/zinc/27/89/95/384278995.db2.gz CHLREPIRJCKUDZ-LLVKDONJSA-N 0 1 248.301 3.352 20 0 BGADMN FCCCN1CCc2c(Cl)cccc2C1 ZINC000133241219 384278419 /nfs/dbraw/zinc/27/84/19/384278419.db2.gz XXJWWWNWZWWLAB-UHFFFAOYSA-N 0 1 227.710 3.058 20 0 BGADMN CCCN(Cc1cc(F)c(F)cc1F)C1CC1 ZINC000133255496 325279911 /nfs/dbraw/zinc/27/99/11/325279911.db2.gz ZJZAVDXTLSSQSE-UHFFFAOYSA-N 0 1 243.272 3.478 20 0 BGADMN CCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133279095 325281567 /nfs/dbraw/zinc/28/15/67/325281567.db2.gz HAJUFJMIAWPQJP-NSHDSACASA-N 0 1 239.746 3.203 20 0 BGADMN CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133279095 325281564 /nfs/dbraw/zinc/28/15/64/325281564.db2.gz HAJUFJMIAWPQJP-NSHDSACASA-N 0 1 239.746 3.203 20 0 BGADMN CCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133279287 323018346 /nfs/dbraw/zinc/01/83/46/323018346.db2.gz HAJUFJMIAWPQJP-LLVKDONJSA-N 0 1 239.746 3.203 20 0 BGADMN CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133279287 323018345 /nfs/dbraw/zinc/01/83/45/323018345.db2.gz HAJUFJMIAWPQJP-LLVKDONJSA-N 0 1 239.746 3.203 20 0 BGADMN CC[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000133318408 345369977 /nfs/dbraw/zinc/36/99/77/345369977.db2.gz JTGQGTMGZJYZKR-UHFFFAOYSA-N 0 1 229.245 3.088 20 0 BGADMN CCN(Cc1cc(Cl)ccc1F)C1CC1 ZINC000133326555 325286352 /nfs/dbraw/zinc/28/63/52/325286352.db2.gz 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/nfs/dbraw/zinc/78/56/70/358785670.db2.gz TUIADOOKZXZUCU-UHFFFAOYSA-N 0 1 242.297 3.322 20 0 BGADMN Fc1cccc(CNc2ccc3c(n2)CCC3)c1 ZINC000134286364 358785646 /nfs/dbraw/zinc/78/56/46/358785646.db2.gz UKDHYFJFNQMYCD-UHFFFAOYSA-N 0 1 242.297 3.322 20 0 BGADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccoc1 ZINC000134287371 384345474 /nfs/dbraw/zinc/34/54/74/384345474.db2.gz QVVWLASUTIUNJR-AWEZNQCLSA-N 0 1 231.270 3.196 20 0 BGADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccoc1 ZINC000134287395 384346583 /nfs/dbraw/zinc/34/65/83/384346583.db2.gz QVVWLASUTIUNJR-CQSZACIVSA-N 0 1 231.270 3.196 20 0 BGADMN Fc1cccc2c1CC[C@@H]2NCc1ccoc1 ZINC000134287724 181005612 /nfs/dbraw/zinc/00/56/12/181005612.db2.gz HONZDQSMWYQXPD-AWEZNQCLSA-N 0 1 231.270 3.196 20 0 BGADMN Fc1cccc2c1CC[C@H]2NCc1ccoc1 ZINC000134287747 181007293 /nfs/dbraw/zinc/00/72/93/181007293.db2.gz HONZDQSMWYQXPD-CQSZACIVSA-N 0 1 231.270 3.196 20 0 BGADMN c1cc(CN[C@H]2CSCc3ccccc32)co1 ZINC000134287877 591912103 /nfs/dbraw/zinc/91/21/03/591912103.db2.gz 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C[C@H](c1cccc(F)c1)N(C)Cc1cccnc1 ZINC000171146618 177036521 /nfs/dbraw/zinc/03/65/21/177036521.db2.gz YJLYCXFDUXULHX-GFCCVEGCSA-N 0 1 244.313 3.414 20 0 BGADMN CCN(Cc1ccn(-c2ccccc2)n1)C(C)C ZINC000171296269 346814115 /nfs/dbraw/zinc/81/41/15/346814115.db2.gz KOVOBLBYBVNAFH-UHFFFAOYSA-N 0 1 243.354 3.103 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cccnc2C)o1 ZINC000171415908 205515441 /nfs/dbraw/zinc/51/54/41/205515441.db2.gz DFVLBZVNSHNSFT-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ccc([C@H](C)NCc2cccnc2C)o1 ZINC000171415915 384587324 /nfs/dbraw/zinc/58/73/24/384587324.db2.gz DFVLBZVNSHNSFT-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ccc(C[N@H+](C)CCCOC(C)C)s1 ZINC000171501800 384594176 /nfs/dbraw/zinc/59/41/76/384594176.db2.gz RIOBGEGQNNLOMK-UHFFFAOYSA-N 0 1 241.400 3.303 20 0 BGADMN CSCCN(C)Cc1ccc(Cl)cc1F ZINC000171530504 365210831 /nfs/dbraw/zinc/21/08/31/365210831.db2.gz XCZBKPANKILALS-UHFFFAOYSA-N 0 1 247.766 3.274 20 0 BGADMN Cc1cccc2c1CC[N@@H+](CCOC(C)(C)C)C2 ZINC000171609092 640995216 /nfs/dbraw/zinc/99/52/16/640995216.db2.gz HBZLRGLQABHLMY-UHFFFAOYSA-N 0 1 247.382 3.168 20 0 BGADMN CC(C)CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171620832 384617669 /nfs/dbraw/zinc/61/76/69/384617669.db2.gz WQQCUZKRXLPPTI-UHFFFAOYSA-N 0 1 246.329 3.321 20 0 BGADMN c1nc(CN(C2CC2)C2CCCC2)cs1 ZINC000171670388 365224922 /nfs/dbraw/zinc/22/49/22/365224922.db2.gz CVDMBSJCIPWUOA-UHFFFAOYSA-N 0 1 222.357 3.050 20 0 BGADMN Fc1ccc2c(c1)[C@H](NCc1ccoc1)CC2 ZINC000171676515 388405683 /nfs/dbraw/zinc/40/56/83/388405683.db2.gz LRQYBLLRLHYCKS-CQSZACIVSA-N 0 1 231.270 3.196 20 0 BGADMN Fc1ccc2c(c1)[C@@H](NCc1ccoc1)CC2 ZINC000171676520 180988619 /nfs/dbraw/zinc/98/86/19/180988619.db2.gz LRQYBLLRLHYCKS-AWEZNQCLSA-N 0 1 231.270 3.196 20 0 BGADMN CCCN(Cc1cc(F)ccc1F)C1CC1 ZINC000171679478 365225416 /nfs/dbraw/zinc/22/54/16/365225416.db2.gz ILOXTOVMJZMDIF-UHFFFAOYSA-N 0 1 225.282 3.339 20 0 BGADMN CCCN(Cc1cccc(F)c1F)C1CC1 ZINC000171680826 487845855 /nfs/dbraw/zinc/84/58/55/487845855.db2.gz PPUSKAFMLOOLET-UHFFFAOYSA-N 0 1 225.282 3.339 20 0 BGADMN CCCN(Cc1cc(-c2ccco2)on1)C1CC1 ZINC000171681027 169173703 /nfs/dbraw/zinc/17/37/03/169173703.db2.gz RWCIXDYJHWUTKN-UHFFFAOYSA-N 0 1 246.310 3.309 20 0 BGADMN C[C@H]1CCC[C@H](C)N1Cc1cn2ccsc2n1 ZINC000171695059 134259820 /nfs/dbraw/zinc/25/98/20/134259820.db2.gz XBSKWMFXHOKGIW-QWRGUYRKSA-N 0 1 249.383 3.159 20 0 BGADMN C[C@@H]1CCC[C@@H](C)N1Cc1cn2ccsc2n1 ZINC000171695065 134260183 /nfs/dbraw/zinc/26/01/83/134260183.db2.gz XBSKWMFXHOKGIW-GHMZBOCLSA-N 0 1 249.383 3.159 20 0 BGADMN CC(C)CN(Cc1noc2c1CCCC2)C1CC1 ZINC000171731830 372744288 /nfs/dbraw/zinc/74/42/88/372744288.db2.gz HCYBGHYAALLQLH-UHFFFAOYSA-N 0 1 248.370 3.174 20 0 BGADMN CC(C)CCN(C)Cc1noc2c1CCCC2 ZINC000171733828 372747776 /nfs/dbraw/zinc/74/77/76/372747776.db2.gz CYROQTYNXWCVQQ-UHFFFAOYSA-N 0 1 236.359 3.031 20 0 BGADMN C[C@@H]1CCCN(Cc2noc3c2CCCC3)CC1 ZINC000171735227 372748160 /nfs/dbraw/zinc/74/81/60/372748160.db2.gz BQZLAHFEMCPPCM-GFCCVEGCSA-N 0 1 248.370 3.175 20 0 BGADMN C[C@H]1CCCN(Cc2noc3c2CCCC3)CC1 ZINC000171735231 372747601 /nfs/dbraw/zinc/74/76/01/372747601.db2.gz BQZLAHFEMCPPCM-LBPRGKRZSA-N 0 1 248.370 3.175 20 0 BGADMN C/C(=C\c1ccccc1)CNCc1cc(C)no1 ZINC000171765754 385515594 /nfs/dbraw/zinc/51/55/94/385515594.db2.gz JEBYGEQBOMYNTB-XYOKQWHBSA-N 0 1 242.322 3.176 20 0 BGADMN CCN(Cc1noc2c1CCCC2)CC(C)C ZINC000171772799 372761224 /nfs/dbraw/zinc/76/12/24/372761224.db2.gz IQSOWCOMQZHQOV-UHFFFAOYSA-N 0 1 236.359 3.031 20 0 BGADMN CC(C)(C)c1n[nH]c(S[C@H]2C=CCCC2)n1 ZINC000171792700 385517296 /nfs/dbraw/zinc/51/72/96/385517296.db2.gz HYFCKGLZDHOICQ-VIFPVBQESA-N 0 1 237.372 3.303 20 0 BGADMN CC(C)(C)c1n[nH]c(S[C@@H]2C=CCCC2)n1 ZINC000171792702 385517057 /nfs/dbraw/zinc/51/70/57/385517057.db2.gz HYFCKGLZDHOICQ-SECBINFHSA-N 0 1 237.372 3.303 20 0 BGADMN CC(C)(C)c1nc(SC[Si](C)(C)C)n[nH]1 ZINC000171792707 641013427 /nfs/dbraw/zinc/01/34/27/641013427.db2.gz GRZPBHHTGWXOJO-UHFFFAOYSA-N 0 1 243.452 3.072 20 0 BGADMN CC(C)(C)c1n[nH]c(SC[Si](C)(C)C)n1 ZINC000171792707 641013424 /nfs/dbraw/zinc/01/34/24/641013424.db2.gz GRZPBHHTGWXOJO-UHFFFAOYSA-N 0 1 243.452 3.072 20 0 BGADMN COc1cccc(C[N@@H+](C)CC2CCCCC2)n1 ZINC000171823420 134260776 /nfs/dbraw/zinc/26/07/76/134260776.db2.gz JTEXDBZBAWRPKS-UHFFFAOYSA-N 0 1 248.370 3.102 20 0 BGADMN CC(C)n1ccnc1CN1CCCC(C)(C)C1 ZINC000171834513 365244763 /nfs/dbraw/zinc/24/47/63/365244763.db2.gz QVCBMRQAYLZCGK-UHFFFAOYSA-N 0 1 235.375 3.086 20 0 BGADMN CC(C)CN(Cc1cscn1)C(C)C ZINC000171883533 134259611 /nfs/dbraw/zinc/25/96/11/134259611.db2.gz AQCDSZCYCFYILU-UHFFFAOYSA-N 0 1 212.362 3.010 20 0 BGADMN C[C@@H](c1ccncc1)N(C)Cc1cccs1 ZINC000171912040 176036093 /nfs/dbraw/zinc/03/60/93/176036093.db2.gz OGIFRSOCHDKSFI-NSHDSACASA-N 0 1 232.352 3.336 20 0 BGADMN C[C@H](c1ccncc1)N(C)Cc1cccs1 ZINC000171912043 177050351 /nfs/dbraw/zinc/05/03/51/177050351.db2.gz OGIFRSOCHDKSFI-LLVKDONJSA-N 0 1 232.352 3.336 20 0 BGADMN C[C@@H](c1ccncc1)[N@@H+](C)CCc1ccccc1 ZINC000171918399 176033969 /nfs/dbraw/zinc/03/39/69/176033969.db2.gz LFOLJRVFLGGTKL-AWEZNQCLSA-N 0 1 240.350 3.317 20 0 BGADMN C[C@@H](c1ccncc1)N(C)Cc1ccc(F)cc1 ZINC000171946745 176035638 /nfs/dbraw/zinc/03/56/38/176035638.db2.gz CDYZXYBNDNFSLR-LBPRGKRZSA-N 0 1 244.313 3.414 20 0 BGADMN C[C@H](c1ccncc1)N(C)Cc1ccc(F)cc1 ZINC000171946750 177050269 /nfs/dbraw/zinc/05/02/69/177050269.db2.gz CDYZXYBNDNFSLR-GFCCVEGCSA-N 0 1 244.313 3.414 20 0 BGADMN CC[C@@H](C)CN(C)[C@@H](C)c1nc(C(C)C)no1 ZINC000171950262 365261617 /nfs/dbraw/zinc/26/16/17/365261617.db2.gz OFJUWUDJUIYDDG-MNOVXSKESA-N 0 1 239.363 3.232 20 0 BGADMN CC[C@H](C)CN(C)[C@@H](C)c1nc(C(C)C)no1 ZINC000171950264 365260757 /nfs/dbraw/zinc/26/07/57/365260757.db2.gz OFJUWUDJUIYDDG-QWRGUYRKSA-N 0 1 239.363 3.232 20 0 BGADMN CCc1nc(CN(C)C[C@@H](C)CC)cs1 ZINC000171952174 346844504 /nfs/dbraw/zinc/84/45/04/346844504.db2.gz ZNQZZNJNPRKQFN-JTQLQIEISA-N 0 1 226.389 3.183 20 0 BGADMN CCc1nc(CN(C)C[C@H](C)CC)cs1 ZINC000171952176 346844467 /nfs/dbraw/zinc/84/44/67/346844467.db2.gz ZNQZZNJNPRKQFN-SNVBAGLBSA-N 0 1 226.389 3.183 20 0 BGADMN FC(F)CN1CCC[C@H]1C1CCCCC1 ZINC000171990802 344271352 /nfs/dbraw/zinc/27/13/52/344271352.db2.gz IQJIWEQRSBJZFP-NSHDSACASA-N 0 1 217.303 3.296 20 0 BGADMN FC(F)CN1CCC[C@@H]1C1CCCCC1 ZINC000171990803 344271645 /nfs/dbraw/zinc/27/16/45/344271645.db2.gz IQJIWEQRSBJZFP-LLVKDONJSA-N 0 1 217.303 3.296 20 0 BGADMN CC(C)N(CC(F)F)C1CCCCC1 ZINC000171991775 372848541 /nfs/dbraw/zinc/84/85/41/372848541.db2.gz BIARRPLOOQQWGJ-UHFFFAOYSA-N 0 1 205.292 3.295 20 0 BGADMN FC(F)CN1CCC2(CCCCC2)CC1 ZINC000171991900 344274388 /nfs/dbraw/zinc/27/43/88/344274388.db2.gz NAWKYQIXSZIHEO-UHFFFAOYSA-N 0 1 217.303 3.298 20 0 BGADMN FC(F)CN(CC1CC1)C1CCCCC1 ZINC000171992037 372848658 /nfs/dbraw/zinc/84/86/58/372848658.db2.gz WAQKHNYHXMXMST-UHFFFAOYSA-N 0 1 217.303 3.296 20 0 BGADMN CC(C)n1ccc(CN(C)CC2CCCCC2)n1 ZINC000172011460 372855569 /nfs/dbraw/zinc/85/55/69/372855569.db2.gz CBWCFYWUIQVZEN-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN CC(C)CCN(Cc1ccn(C(C)C)n1)C1CC1 ZINC000172011645 384941257 /nfs/dbraw/zinc/94/12/57/384941257.db2.gz HFJLKXJLCAJIBB-UHFFFAOYSA-N 0 1 249.402 3.475 20 0 BGADMN CCCCN(CC)Cc1ccn(C(C)C)n1 ZINC000172011708 384940567 /nfs/dbraw/zinc/94/05/67/384940567.db2.gz MBOJZJOXLILSLU-UHFFFAOYSA-N 0 1 223.364 3.086 20 0 BGADMN CC(C)n1ccc(CN(C2CC2)C2CCCC2)n1 ZINC000172011759 372857497 /nfs/dbraw/zinc/85/74/97/372857497.db2.gz RBEYNNCPEOFDIE-UHFFFAOYSA-N 0 1 247.386 3.371 20 0 BGADMN CC(C)n1ccc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000172011802 372857924 /nfs/dbraw/zinc/85/79/24/372857924.db2.gz AAHJGHXGWHAONF-LBPRGKRZSA-N 0 1 247.386 3.227 20 0 BGADMN CC(C)n1ccc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000172011804 372857533 /nfs/dbraw/zinc/85/75/33/372857533.db2.gz AAHJGHXGWHAONF-GFCCVEGCSA-N 0 1 247.386 3.227 20 0 BGADMN CC[C@@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000172011937 384939898 /nfs/dbraw/zinc/93/98/98/384939898.db2.gz UNHXGDZIIAYOFI-CYBMUJFWSA-N 0 1 235.375 3.086 20 0 BGADMN CC[C@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000172011939 384942140 /nfs/dbraw/zinc/94/21/40/384942140.db2.gz UNHXGDZIIAYOFI-ZDUSSCGKSA-N 0 1 235.375 3.086 20 0 BGADMN CC(C)n1ccc(CN2CCC[C@@H](C)CC2)n1 ZINC000172012961 372857894 /nfs/dbraw/zinc/85/78/94/372857894.db2.gz BDXIUTYEFMASRB-CYBMUJFWSA-N 0 1 235.375 3.086 20 0 BGADMN CC(C)n1ccc(CN2CCC[C@H](C)CC2)n1 ZINC000172012962 372857629 /nfs/dbraw/zinc/85/76/29/372857629.db2.gz BDXIUTYEFMASRB-ZDUSSCGKSA-N 0 1 235.375 3.086 20 0 BGADMN CC(C)n1ccc(CN(C)CC2CCCC2)n1 ZINC000172012991 384939300 /nfs/dbraw/zinc/93/93/00/384939300.db2.gz GIAXNDPPCRHVFK-UHFFFAOYSA-N 0 1 235.375 3.086 20 0 BGADMN CC(C)n1ccc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000172013897 134264581 /nfs/dbraw/zinc/26/45/81/134264581.db2.gz URGQIVPRSVKQMC-STQMWFEESA-N 0 1 235.375 3.227 20 0 BGADMN CC(C)n1ccc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000172013899 134264325 /nfs/dbraw/zinc/26/43/25/134264325.db2.gz URGQIVPRSVKQMC-CHWSQXEVSA-N 0 1 235.375 3.227 20 0 BGADMN Cc1cc(CN2CCC(C(C)(C)C)CC2)no1 ZINC000172031272 372859101 /nfs/dbraw/zinc/85/91/01/372859101.db2.gz YJTYXWCGMUKYEZ-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN CCn1ccnc1CN1CCC(C(C)(C)C)CC1 ZINC000172032124 134264511 /nfs/dbraw/zinc/26/45/11/134264511.db2.gz TYFWHVADBVESGB-UHFFFAOYSA-N 0 1 249.402 3.161 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCCCC1 ZINC000172068272 372861978 /nfs/dbraw/zinc/86/19/78/372861978.db2.gz LNUBWCJKDOBEFV-UHFFFAOYSA-N 0 1 230.286 3.364 20 0 BGADMN COC[C@@H](C)CNc1ccnc2cc(F)ccc21 ZINC000172068521 134261334 /nfs/dbraw/zinc/26/13/34/134261334.db2.gz HAXLOPGAPIOKQG-JTQLQIEISA-N 0 1 248.301 3.068 20 0 BGADMN COC[C@H](C)CNc1ccnc2cc(F)ccc21 ZINC000172068523 134261576 /nfs/dbraw/zinc/26/15/76/134261576.db2.gz HAXLOPGAPIOKQG-SNVBAGLBSA-N 0 1 248.301 3.068 20 0 BGADMN C[C@@H]1c2ccccc2CCN1Cc1ccccn1 ZINC000172094758 385548368 /nfs/dbraw/zinc/54/83/68/385548368.db2.gz ZWGJFHFQPOTIQH-CYBMUJFWSA-N 0 1 238.334 3.201 20 0 BGADMN C[C@H]1c2ccccc2CCN1Cc1ccccn1 ZINC000172094760 177437757 /nfs/dbraw/zinc/43/77/57/177437757.db2.gz ZWGJFHFQPOTIQH-ZDUSSCGKSA-N 0 1 238.334 3.201 20 0 BGADMN CC(C)CCC(=O)Nc1cccc(Cl)c1O ZINC000172109418 385550192 /nfs/dbraw/zinc/55/01/92/385550192.db2.gz QKLSGMYHGDGRIV-UHFFFAOYSA-N 0 1 241.718 3.420 20 0 BGADMN CC(C)(C)CC(=O)Nc1cccc(Cl)c1O ZINC000172112238 385550968 /nfs/dbraw/zinc/55/09/68/385550968.db2.gz GANDMJGIRZOAIZ-UHFFFAOYSA-N 0 1 241.718 3.420 20 0 BGADMN CCCCC(=O)Nc1cccc(Cl)c1O ZINC000172112430 168628460 /nfs/dbraw/zinc/62/84/60/168628460.db2.gz YBKMRXOAEIESMA-UHFFFAOYSA-N 0 1 227.691 3.174 20 0 BGADMN CCc1n[nH]c(SCc2ccc(CC)cc2)n1 ZINC000172158729 385554141 /nfs/dbraw/zinc/55/41/41/385554141.db2.gz IZJFUHFOEJCMFW-UHFFFAOYSA-N 0 1 247.367 3.222 20 0 BGADMN CCc1nnc(SCc2ccc(CC)cc2)[nH]1 ZINC000172158729 385554138 /nfs/dbraw/zinc/55/41/38/385554138.db2.gz IZJFUHFOEJCMFW-UHFFFAOYSA-N 0 1 247.367 3.222 20 0 BGADMN CCCN(Cc1nccn1C(C)C)CC1CC1 ZINC000172167696 385524648 /nfs/dbraw/zinc/52/46/48/385524648.db2.gz BBUHSXPCFJLEQU-UHFFFAOYSA-N 0 1 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20 0 BGADMN c1csc(SCc2n[nH]c(C3CC3)n2)c1 ZINC000179652232 134910627 /nfs/dbraw/zinc/91/06/27/134910627.db2.gz VQCNVBILUAWVAZ-UHFFFAOYSA-N 0 1 237.353 3.036 20 0 BGADMN Cc1ccccc1SCc1n[nH]c(C2CC2)n1 ZINC000179652341 134322754 /nfs/dbraw/zinc/32/27/54/134322754.db2.gz LMMYQIHOHQNLNT-UHFFFAOYSA-N 0 1 245.351 3.283 20 0 BGADMN Cc1cccc(SCc2n[nH]c(C3CC3)n2)c1 ZINC000179652493 134322816 /nfs/dbraw/zinc/32/28/16/134322816.db2.gz GEPUMBIFDOVOQS-UHFFFAOYSA-N 0 1 245.351 3.283 20 0 BGADMN CC(C)=CCNC1(c2ccccc2F)CC1 ZINC000179660622 642738209 /nfs/dbraw/zinc/73/82/09/642738209.db2.gz WGHZPEGHZVFJHV-UHFFFAOYSA-N 0 1 219.303 3.371 20 0 BGADMN Cc1ccc(F)c(CN2CCSC[C@@H]2C)c1 ZINC000179661353 134322811 /nfs/dbraw/zinc/32/28/11/134322811.db2.gz PYFVQXQQPXCTNJ-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN Cc1ccc(F)c(CN2CCSC[C@H]2C)c1 ZINC000179661368 346992588 /nfs/dbraw/zinc/99/25/88/346992588.db2.gz PYFVQXQQPXCTNJ-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN CC[C@@H]1CN(CC(C)(C)c2ccccc2)CCO1 ZINC000179663462 538955443 /nfs/dbraw/zinc/95/54/43/538955443.db2.gz HKVPWSNSRWIJHD-OAHLLOKOSA-N 0 1 247.382 3.075 20 0 BGADMN Cc1cc(CN2CCSC[C@@H]2C)ccc1F ZINC000179663467 134323032 /nfs/dbraw/zinc/32/30/32/134323032.db2.gz BBRDWGRERANRMG-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN CC[C@H]1CN(CC(C)(C)c2ccccc2)CCO1 ZINC000179663477 538955626 /nfs/dbraw/zinc/95/56/26/538955626.db2.gz HKVPWSNSRWIJHD-HNNXBMFYSA-N 0 1 247.382 3.075 20 0 BGADMN Cc1cc(CN2CCSC[C@H]2C)ccc1F ZINC000179663483 346992279 /nfs/dbraw/zinc/99/22/79/346992279.db2.gz BBRDWGRERANRMG-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN Cc1cc(F)ccc1CN1CCSC[C@@H]1C ZINC000179664045 366282129 /nfs/dbraw/zinc/28/21/29/366282129.db2.gz AVRQZWVOACIBHH-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN Cc1cc(F)ccc1CN1CCSC[C@H]1C ZINC000179664059 366282810 /nfs/dbraw/zinc/28/28/10/366282810.db2.gz AVRQZWVOACIBHH-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN Cc1ccc(CN2CCSC[C@@H]2C)cc1F ZINC000179665849 134322906 /nfs/dbraw/zinc/32/29/06/134322906.db2.gz PHMACBRGLGCYFN-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN Cc1ccc(CN2CCSC[C@H]2C)cc1F ZINC000179665864 346992725 /nfs/dbraw/zinc/99/27/25/346992725.db2.gz PHMACBRGLGCYFN-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN C[C@@H]1CCN(Cc2noc3c2CCCC3)C[C@@H]1C ZINC000179690833 538956345 /nfs/dbraw/zinc/95/63/45/538956345.db2.gz BEHCSVUYPFBQPK-NEPJUHHUSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@H]1CN(Cc2noc3c2CCCC3)CC[C@@H]1C ZINC000179690846 538956176 /nfs/dbraw/zinc/95/61/76/538956176.db2.gz BEHCSVUYPFBQPK-RYUDHWBXSA-N 0 1 248.370 3.031 20 0 BGADMN CC[C@@H](C)N(Cc1c[nH]cn1)Cc1ccccc1 ZINC000179695235 385484030 /nfs/dbraw/zinc/48/40/30/385484030.db2.gz QFPHKHWPAHGRJB-CYBMUJFWSA-N 0 1 243.354 3.210 20 0 BGADMN CC[C@@H](C)[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000179695235 385484017 /nfs/dbraw/zinc/48/40/17/385484017.db2.gz QFPHKHWPAHGRJB-CYBMUJFWSA-N 0 1 243.354 3.210 20 0 BGADMN CC[C@H](C)N(Cc1c[nH]cn1)Cc1ccccc1 ZINC000179695249 171316584 /nfs/dbraw/zinc/31/65/84/171316584.db2.gz QFPHKHWPAHGRJB-ZDUSSCGKSA-N 0 1 243.354 3.210 20 0 BGADMN C[C@@H](c1ccccc1)N(C)Cc1cncs1 ZINC000179701121 384336104 /nfs/dbraw/zinc/33/61/04/384336104.db2.gz VXQSILCBYRSPAF-NSHDSACASA-N 0 1 232.352 3.336 20 0 BGADMN C[C@H](c1ccccc1)N(C)Cc1cncs1 ZINC000179701131 384335309 /nfs/dbraw/zinc/33/53/09/384335309.db2.gz VXQSILCBYRSPAF-LLVKDONJSA-N 0 1 232.352 3.336 20 0 BGADMN CCn1nccc1CN(C)[C@@H](C)c1ccccc1 ZINC000179701598 172264545 /nfs/dbraw/zinc/26/45/45/172264545.db2.gz VXMMYXZWVBCMBM-ZDUSSCGKSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1nccc1CN(C)[C@H](C)c1ccccc1 ZINC000179701612 172264666 /nfs/dbraw/zinc/26/46/66/172264666.db2.gz VXMMYXZWVBCMBM-CYBMUJFWSA-N 0 1 243.354 3.096 20 0 BGADMN C[C@H](c1ccccc1)[N@@H+](C)CC1=CCCOC1 ZINC000179702016 177037434 /nfs/dbraw/zinc/03/74/34/177037434.db2.gz YGJYGRWFNFMVMC-CYBMUJFWSA-N 0 1 231.339 3.026 20 0 BGADMN Fc1cccc(C2(NC/C=C/Cl)CC2)c1 ZINC000179702902 385382024 /nfs/dbraw/zinc/38/20/24/385382024.db2.gz VYILLRIMKQHCMX-FARCUNLSSA-N 0 1 225.694 3.157 20 0 BGADMN CCC[C@@H](C)CN(C)Cc1nccn1C(F)F ZINC000179704926 169358119 /nfs/dbraw/zinc/35/81/19/169358119.db2.gz JVMHNVSCLODBCC-SNVBAGLBSA-N 0 1 245.317 3.146 20 0 BGADMN CCC[C@H](C)CN(C)Cc1nccn1C(F)F ZINC000179704940 385485225 /nfs/dbraw/zinc/48/52/25/385485225.db2.gz JVMHNVSCLODBCC-JTQLQIEISA-N 0 1 245.317 3.146 20 0 BGADMN Cc1ccc(CN2CCC[C@@H]2c2cccn2C)o1 ZINC000179705600 134320197 /nfs/dbraw/zinc/32/01/97/134320197.db2.gz IUFSBBKNZAGVKX-OAHLLOKOSA-N 0 1 244.338 3.264 20 0 BGADMN Cc1ccc(CN2CCC[C@H]2c2cccn2C)o1 ZINC000179705611 134320266 /nfs/dbraw/zinc/32/02/66/134320266.db2.gz IUFSBBKNZAGVKX-HNNXBMFYSA-N 0 1 244.338 3.264 20 0 BGADMN CCN(Cc1cccs1)Cc1cccc(O)c1 ZINC000179720805 346994212 /nfs/dbraw/zinc/99/42/12/346994212.db2.gz PIVRESIAKDSMKK-UHFFFAOYSA-N 0 1 247.363 3.476 20 0 BGADMN CCN(Cc1cccs1)Cc1cccnc1C ZINC000179721087 259304986 /nfs/dbraw/zinc/30/49/86/259304986.db2.gz GPQKWXXCVSISSW-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN CC/C=C(\C)C(=O)Nc1cccc(Cl)c1O ZINC000179724063 385487750 /nfs/dbraw/zinc/48/77/50/385487750.db2.gz BXGWXXJJUMSMPU-VMPITWQZSA-N 0 1 239.702 3.340 20 0 BGADMN O=C(C=C1CCC1)Nc1cccc(Cl)c1O ZINC000179726461 642742438 /nfs/dbraw/zinc/74/24/38/642742438.db2.gz SWVKXUVJYQVTII-UHFFFAOYSA-N 0 1 237.686 3.094 20 0 BGADMN C/C=C/C=C/C(=O)Nc1cccc(Cl)c1O ZINC000179726558 384335171 /nfs/dbraw/zinc/33/51/71/384335171.db2.gz IAMSDHHZNPXASU-CRBCFSCISA-N 0 1 237.686 3.116 20 0 BGADMN C/C(=C\c1ccccc1)CN1CCOC(C)(C)C1 ZINC000179767981 384350888 /nfs/dbraw/zinc/35/08/88/384350888.db2.gz AFPMQLWVONLARF-SDNWHVSQSA-N 0 1 245.366 3.201 20 0 BGADMN C/C(=C\c1ccccc1)C[N@H+]1CCOC(C)(C)C1 ZINC000179767981 384350880 /nfs/dbraw/zinc/35/08/80/384350880.db2.gz AFPMQLWVONLARF-SDNWHVSQSA-N 0 1 245.366 3.201 20 0 BGADMN CCCCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179812545 366312849 /nfs/dbraw/zinc/31/28/49/366312849.db2.gz BSLFOMRDEPCXEF-LLVKDONJSA-N 0 1 237.347 3.034 20 0 BGADMN CCCCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000179812555 366312188 /nfs/dbraw/zinc/31/21/88/366312188.db2.gz BSLFOMRDEPCXEF-NSHDSACASA-N 0 1 237.347 3.034 20 0 BGADMN CC(C)[C@H](NCC1CCC1)c1nc(C2CC2)no1 ZINC000179817345 538956862 /nfs/dbraw/zinc/95/68/62/538956862.db2.gz ROWLFGFTFBJWJD-LBPRGKRZSA-N 0 1 249.358 3.034 20 0 BGADMN CC(C)[C@@H](NCC1CCC1)c1nc(C2CC2)no1 ZINC000179817358 538956808 /nfs/dbraw/zinc/95/68/08/538956808.db2.gz ROWLFGFTFBJWJD-GFCCVEGCSA-N 0 1 249.358 3.034 20 0 BGADMN CC1(C)CCCN1Cc1c(F)cccc1F ZINC000179818360 346998513 /nfs/dbraw/zinc/99/85/13/346998513.db2.gz ACPIVBJARPMJCS-UHFFFAOYSA-N 0 1 225.282 3.339 20 0 BGADMN CCCC1CCC(N(C)Cc2ccon2)CC1 ZINC000179826724 534925093 /nfs/dbraw/zinc/92/50/93/534925093.db2.gz RVEOJPQEFLUCTC-UHFFFAOYSA-N 0 1 236.359 3.465 20 0 BGADMN CC(C)n1cc(C[N@@H+](C(C)C)C2CCC2)cn1 ZINC000179860727 347000099 /nfs/dbraw/zinc/00/00/99/347000099.db2.gz SZZONVLROAVPFB-UHFFFAOYSA-N 0 1 235.375 3.227 20 0 BGADMN CCC[C@@H](C)CN(C)Cc1cscn1 ZINC000179865546 169357653 /nfs/dbraw/zinc/35/76/53/169357653.db2.gz NFAJOZXLVXPXRL-SNVBAGLBSA-N 0 1 212.362 3.011 20 0 BGADMN CCC[C@H](C)CN(C)Cc1cscn1 ZINC000179865556 385495445 /nfs/dbraw/zinc/49/54/45/385495445.db2.gz NFAJOZXLVXPXRL-JTQLQIEISA-N 0 1 212.362 3.011 20 0 BGADMN CCC(CC)CN1CCn2cccc2[C@@H]1C ZINC000179885642 385381822 /nfs/dbraw/zinc/38/18/22/385381822.db2.gz LWLKLZFTDDTXNE-LBPRGKRZSA-N 0 1 220.360 3.301 20 0 BGADMN CCC(CC)CN1CCn2cccc2[C@H]1C ZINC000179885654 385380879 /nfs/dbraw/zinc/38/08/79/385380879.db2.gz LWLKLZFTDDTXNE-GFCCVEGCSA-N 0 1 220.360 3.301 20 0 BGADMN Cc1ccc(F)cc1CN(C)Cc1ccco1 ZINC000179885959 347001876 /nfs/dbraw/zinc/00/18/76/347001876.db2.gz ROSCSRPJODBVRI-UHFFFAOYSA-N 0 1 233.286 3.359 20 0 BGADMN CN(Cc1cncs1)[C@@H]1CCc2ccccc21 ZINC000179906212 385500361 /nfs/dbraw/zinc/50/03/61/385500361.db2.gz ZWQVNWBTHXFYGB-CQSZACIVSA-N 0 1 244.363 3.262 20 0 BGADMN CN(Cc1cncs1)[C@H]1CCc2ccccc21 ZINC000179906231 385499369 /nfs/dbraw/zinc/49/93/69/385499369.db2.gz ZWQVNWBTHXFYGB-AWEZNQCLSA-N 0 1 244.363 3.262 20 0 BGADMN C[C@@H]1Cc2ccccc2CN1Cc1ccco1 ZINC000179909303 134325516 /nfs/dbraw/zinc/32/55/16/134325516.db2.gz GEQSYZBIMPHYQP-GFCCVEGCSA-N 0 1 227.307 3.226 20 0 BGADMN C[C@H]1Cc2ccccc2CN1Cc1ccco1 ZINC000179909319 347002755 /nfs/dbraw/zinc/00/27/55/347002755.db2.gz GEQSYZBIMPHYQP-LBPRGKRZSA-N 0 1 227.307 3.226 20 0 BGADMN C[C@@H]1Cc2ccccc2CN1Cc1cncs1 ZINC000179909402 398246186 /nfs/dbraw/zinc/24/61/86/398246186.db2.gz YECKBORUYFOEJJ-LLVKDONJSA-N 0 1 244.363 3.090 20 0 BGADMN C[C@H]1Cc2ccccc2CN1Cc1cncs1 ZINC000179909420 398246104 /nfs/dbraw/zinc/24/61/04/398246104.db2.gz YECKBORUYFOEJJ-NSHDSACASA-N 0 1 244.363 3.090 20 0 BGADMN C[C@H](NCc1cc[nH]c1)c1cccc(F)c1F ZINC000179912635 259305751 /nfs/dbraw/zinc/30/57/51/259305751.db2.gz ZBUVNOXPXAPTDW-VIFPVBQESA-N 0 1 236.265 3.144 20 0 BGADMN C[C@@H](NCc1cc[nH]c1)c1cccc(F)c1F ZINC000179912644 259305384 /nfs/dbraw/zinc/30/53/84/259305384.db2.gz ZBUVNOXPXAPTDW-SECBINFHSA-N 0 1 236.265 3.144 20 0 BGADMN COc1cccc(F)c1[C@H](C)NCC=C(C)C ZINC000179937257 385385517 /nfs/dbraw/zinc/38/55/17/385385517.db2.gz UVGVKAIZEOSTDK-NSHDSACASA-N 0 1 237.318 3.451 20 0 BGADMN COc1cccc(F)c1[C@@H](C)NCC=C(C)C ZINC000179937267 385385898 /nfs/dbraw/zinc/38/58/98/385385898.db2.gz UVGVKAIZEOSTDK-LLVKDONJSA-N 0 1 237.318 3.451 20 0 BGADMN COc1ccc(F)cc1[C@H](C)NC/C=C/Cl ZINC000179955796 175133627 /nfs/dbraw/zinc/13/36/27/175133627.db2.gz MWNBOMHTWFVTNA-SWTNXBIASA-N 0 1 243.709 3.237 20 0 BGADMN COc1ccc(F)cc1[C@@H](C)NC/C=C/Cl ZINC000179955805 175132275 /nfs/dbraw/zinc/13/22/75/175132275.db2.gz MWNBOMHTWFVTNA-BSPAPZMXSA-N 0 1 243.709 3.237 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1Cl ZINC000179957805 538956613 /nfs/dbraw/zinc/95/66/13/538956613.db2.gz VZXLFGSPQCZKBC-SECBINFHSA-N 0 1 249.745 3.222 20 0 BGADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1Cl ZINC000179957822 538956883 /nfs/dbraw/zinc/95/68/83/538956883.db2.gz VZXLFGSPQCZKBC-VIFPVBQESA-N 0 1 249.745 3.222 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)NCc1cccc(Cl)c1 ZINC000179958119 538956898 /nfs/dbraw/zinc/95/68/98/538956898.db2.gz JFHJZLJPYYLKCL-SECBINFHSA-N 0 1 249.745 3.222 20 0 BGADMN Cc1n[nH]cc1[C@H](C)NCc1cccc(Cl)c1 ZINC000179958138 538956857 /nfs/dbraw/zinc/95/68/57/538956857.db2.gz JFHJZLJPYYLKCL-VIFPVBQESA-N 0 1 249.745 3.222 20 0 BGADMN CCCN(C)Cc1c(Cl)cccc1OC ZINC000179971353 384411536 /nfs/dbraw/zinc/41/15/36/384411536.db2.gz OSMLCAHVNPPRFZ-UHFFFAOYSA-N 0 1 227.735 3.190 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(Cl)cc1 ZINC000179975453 538956987 /nfs/dbraw/zinc/95/69/87/538956987.db2.gz DJDFGDOKSUUXJE-SECBINFHSA-N 0 1 249.745 3.222 20 0 BGADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(Cl)cc1 ZINC000179975466 538956975 /nfs/dbraw/zinc/95/69/75/538956975.db2.gz DJDFGDOKSUUXJE-VIFPVBQESA-N 0 1 249.745 3.222 20 0 BGADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C)c(F)c1 ZINC000180026843 633877716 /nfs/dbraw/zinc/87/77/16/633877716.db2.gz MECXWRRGYLARLC-JTQLQIEISA-N 0 1 247.317 3.016 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C)c(F)c1 ZINC000180026856 633876668 /nfs/dbraw/zinc/87/66/68/633876668.db2.gz MECXWRRGYLARLC-SNVBAGLBSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(F)c(C)c1 ZINC000180027976 541507116 /nfs/dbraw/zinc/50/71/16/541507116.db2.gz JDCSCCSDBPPQFZ-JTQLQIEISA-N 0 1 247.317 3.016 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000180027990 541507185 /nfs/dbraw/zinc/50/71/85/541507185.db2.gz JDCSCCSDBPPQFZ-SNVBAGLBSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1[nH]ncc1C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000180034417 384431670 /nfs/dbraw/zinc/43/16/70/384431670.db2.gz CRWHEZFAEPWEPQ-UHFFFAOYSA-N 0 1 247.386 3.261 20 0 BGADMN CCC1CCC([N@@H+](Cc2cnc[nH]2)C2CC2)CC1 ZINC000180035008 134325768 /nfs/dbraw/zinc/32/57/68/134325768.db2.gz GWMHRLJEGBLRHF-UHFFFAOYSA-N 0 1 247.386 3.343 20 0 BGADMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cnc[nH]1 ZINC000180036973 176016872 /nfs/dbraw/zinc/01/68/72/176016872.db2.gz PPWMTZODZOJKRT-JTQLQIEISA-N 0 1 249.745 3.256 20 0 BGADMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cnc[nH]1 ZINC000180036989 177036999 /nfs/dbraw/zinc/03/69/99/177036999.db2.gz PPWMTZODZOJKRT-SNVBAGLBSA-N 0 1 249.745 3.256 20 0 BGADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cnc[nH]1 ZINC000180049583 176014170 /nfs/dbraw/zinc/01/41/70/176014170.db2.gz AZZWPYAURZEOIP-JTQLQIEISA-N 0 1 249.745 3.256 20 0 BGADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cnc[nH]1 ZINC000180049598 177032633 /nfs/dbraw/zinc/03/26/33/177032633.db2.gz AZZWPYAURZEOIP-SNVBAGLBSA-N 0 1 249.745 3.256 20 0 BGADMN C[C@@H](c1ccccc1Cl)N(C)Cc1cnc[nH]1 ZINC000180049948 176023591 /nfs/dbraw/zinc/02/35/91/176023591.db2.gz HVLMWYRWFQOTEE-JTQLQIEISA-N 0 1 249.745 3.256 20 0 BGADMN C[C@H](c1ccccc1Cl)N(C)Cc1cnc[nH]1 ZINC000180049964 177041477 /nfs/dbraw/zinc/04/14/77/177041477.db2.gz HVLMWYRWFQOTEE-SNVBAGLBSA-N 0 1 249.745 3.256 20 0 BGADMN Cc1ccc(F)cc1CN1CCS[C@H](C)C1 ZINC000180069529 134325700 /nfs/dbraw/zinc/32/57/00/134325700.db2.gz HRUUQVYBXQRHGS-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCCc2occc21 ZINC000180094073 538957450 /nfs/dbraw/zinc/95/74/50/538957450.db2.gz IGOZIIVJDSVQMS-NOZJJQNGSA-N 0 1 245.326 3.039 20 0 BGADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCc2occc21 ZINC000180094094 538957576 /nfs/dbraw/zinc/95/75/76/538957576.db2.gz IGOZIIVJDSVQMS-TVQRCGJNSA-N 0 1 245.326 3.039 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCCc2occc21 ZINC000180094111 538957678 /nfs/dbraw/zinc/95/76/78/538957678.db2.gz IGOZIIVJDSVQMS-RNCFNFMXSA-N 0 1 245.326 3.039 20 0 BGADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCCc2occc21 ZINC000180094129 538957199 /nfs/dbraw/zinc/95/71/99/538957199.db2.gz IGOZIIVJDSVQMS-ZANVPECISA-N 0 1 245.326 3.039 20 0 BGADMN CCN(Cc1c[nH]c(-c2ccccc2)n1)C1CC1 ZINC000180101593 347013980 /nfs/dbraw/zinc/01/39/80/347013980.db2.gz KWQGVZZROCIYII-UHFFFAOYSA-N 0 1 241.338 3.061 20 0 BGADMN CCN(Cc1cnc(C(C)(C)C)s1)C1CC1 ZINC000180102582 262713390 /nfs/dbraw/zinc/71/33/90/262713390.db2.gz OKXBMNWGXBETIU-UHFFFAOYSA-N 0 1 238.400 3.425 20 0 BGADMN CCN(Cc1cccc(Cl)c1F)C1CC1 ZINC000180103176 384441422 /nfs/dbraw/zinc/44/14/22/384441422.db2.gz RCVPDKOFDSUJGL-UHFFFAOYSA-N 0 1 227.710 3.463 20 0 BGADMN Cc1ccc(F)cc1CN1CCSC[C@@H]1C ZINC000180154294 134327562 /nfs/dbraw/zinc/32/75/62/134327562.db2.gz QZGMVYGSMLHUQI-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN Cc1ccc(F)cc1CN1CCSC[C@H]1C ZINC000180154314 134327895 /nfs/dbraw/zinc/32/78/95/134327895.db2.gz QZGMVYGSMLHUQI-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN Cc1cccc([C@@H]2CCCN2Cc2c[nH]cn2)c1 ZINC000180156577 179189669 /nfs/dbraw/zinc/18/96/69/179189669.db2.gz OBUTZDBIDDZUDH-HNNXBMFYSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1cccc([C@H]2CCCN2Cc2c[nH]cn2)c1 ZINC000180156593 179204554 /nfs/dbraw/zinc/20/45/54/179204554.db2.gz OBUTZDBIDDZUDH-OAHLLOKOSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1ccc(CN(C)Cc2ccc[nH]2)s1 ZINC000180173628 134327595 /nfs/dbraw/zinc/32/75/95/134327595.db2.gz HARFPCQNQNQOCU-UHFFFAOYSA-N 0 1 220.341 3.017 20 0 BGADMN CCC(CC)N(Cc1csnn1)CC(C)C ZINC000180201567 134327953 /nfs/dbraw/zinc/32/79/53/134327953.db2.gz AKMBUGUEQQSSNM-UHFFFAOYSA-N 0 1 241.404 3.185 20 0 BGADMN CC[C@@H](C)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000180241407 385516223 /nfs/dbraw/zinc/51/62/23/385516223.db2.gz ZROIXZUPDSVTKW-ZJUUUORDSA-N 0 1 239.363 3.064 20 0 BGADMN CC[C@H](C)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000180241424 171286526 /nfs/dbraw/zinc/28/65/26/171286526.db2.gz ZROIXZUPDSVTKW-UWVGGRQHSA-N 0 1 239.363 3.064 20 0 BGADMN CC[C@@H](C)CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000180241439 386240445 /nfs/dbraw/zinc/24/04/45/386240445.db2.gz ZROIXZUPDSVTKW-NXEZZACHSA-N 0 1 239.363 3.064 20 0 BGADMN CC[C@H](C)CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000180241455 171287187 /nfs/dbraw/zinc/28/71/87/171287187.db2.gz ZROIXZUPDSVTKW-VHSXEESVSA-N 0 1 239.363 3.064 20 0 BGADMN CC[C@@H](C)CNc1ccc2c(c1)CN(C)C2 ZINC000180247587 385387270 /nfs/dbraw/zinc/38/72/70/385387270.db2.gz JJPGHDUQOZKUIH-LLVKDONJSA-N 0 1 218.344 3.090 20 0 BGADMN CC[C@@H](C)CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000180247587 385387268 /nfs/dbraw/zinc/38/72/68/385387268.db2.gz JJPGHDUQOZKUIH-LLVKDONJSA-N 0 1 218.344 3.090 20 0 BGADMN CC[C@H](C)CNc1ccc2c(c1)CN(C)C2 ZINC000180247604 171287759 /nfs/dbraw/zinc/28/77/59/171287759.db2.gz JJPGHDUQOZKUIH-NSHDSACASA-N 0 1 218.344 3.090 20 0 BGADMN CC(C)(C)CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000180267870 366408528 /nfs/dbraw/zinc/40/85/28/366408528.db2.gz VNNZVFKFWKHKOR-UHFFFAOYSA-N 0 1 232.371 3.482 20 0 BGADMN CC(C)=CCN(Cc1cccnc1)C1CC1 ZINC000180277864 385518357 /nfs/dbraw/zinc/51/83/57/385518357.db2.gz BXSLLWJDUYNIJV-UHFFFAOYSA-N 0 1 216.328 3.012 20 0 BGADMN CC[C@@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000180290607 366410299 /nfs/dbraw/zinc/41/02/99/366410299.db2.gz YXVMHSNILSFTFO-SNVBAGLBSA-N 0 1 238.400 3.252 20 0 BGADMN CC[C@H](C)N(C)Cc1nc2c(s1)CCCC2 ZINC000180290617 366410896 /nfs/dbraw/zinc/41/08/96/366410896.db2.gz YXVMHSNILSFTFO-JTQLQIEISA-N 0 1 238.400 3.252 20 0 BGADMN CCC=C(C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180322093 385519833 /nfs/dbraw/zinc/51/98/33/385519833.db2.gz IRVQSPUPXPMGAT-WEVVVXLNSA-N 0 1 243.310 3.166 20 0 BGADMN C=CCCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180343104 642788753 /nfs/dbraw/zinc/78/87/53/642788753.db2.gz CJUMMPHQZUFKBS-UHFFFAOYSA-N 0 1 239.746 3.444 20 0 BGADMN CCC[C@@H](C)CN(C)Cc1nccs1 ZINC000180371077 169358231 /nfs/dbraw/zinc/35/82/31/169358231.db2.gz RZKOMCILNQQIHK-SNVBAGLBSA-N 0 1 212.362 3.011 20 0 BGADMN CCC[C@H](C)CN(C)Cc1nccs1 ZINC000180371092 385519360 /nfs/dbraw/zinc/51/93/60/385519360.db2.gz RZKOMCILNQQIHK-JTQLQIEISA-N 0 1 212.362 3.011 20 0 BGADMN Cc1cnc(CN(C)CC2CCCCC2)s1 ZINC000180408998 134327254 /nfs/dbraw/zinc/32/72/54/134327254.db2.gz DWRJSRUUTWQSRD-UHFFFAOYSA-N 0 1 238.400 3.464 20 0 BGADMN CCCCN(CC)Cc1ncc(C)s1 ZINC000180411745 385521216 /nfs/dbraw/zinc/52/12/16/385521216.db2.gz RMYHUHFJEZSTRZ-UHFFFAOYSA-N 0 1 212.362 3.074 20 0 BGADMN Cc1cnc(CN(C)C2CCC(C)CC2)s1 ZINC000180417346 134327418 /nfs/dbraw/zinc/32/74/18/134327418.db2.gz RTYAEJFJSXFDME-UHFFFAOYSA-N 0 1 238.400 3.462 20 0 BGADMN CC[C@@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000180420090 134327061 /nfs/dbraw/zinc/32/70/61/134327061.db2.gz MESGKXAXUSJIHF-LLVKDONJSA-N 0 1 224.373 3.074 20 0 BGADMN CC[C@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000180420108 134327113 /nfs/dbraw/zinc/32/71/13/134327113.db2.gz MESGKXAXUSJIHF-NSHDSACASA-N 0 1 224.373 3.074 20 0 BGADMN CC[C@@H]1CCCCN1Cc1ncc(C)s1 ZINC000180421756 170965260 /nfs/dbraw/zinc/96/52/60/170965260.db2.gz OEKOOVUMQPTNMH-LLVKDONJSA-N 0 1 224.373 3.216 20 0 BGADMN CC[C@H]1CCCCN1Cc1ncc(C)s1 ZINC000180421773 385521791 /nfs/dbraw/zinc/52/17/91/385521791.db2.gz OEKOOVUMQPTNMH-NSHDSACASA-N 0 1 224.373 3.216 20 0 BGADMN Cc1cnc(CN(CC(C)C)C2CC2)s1 ZINC000180430145 385523405 /nfs/dbraw/zinc/52/34/05/385523405.db2.gz QLKSGAWGMDWBMY-UHFFFAOYSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1cnc(C[N@H+](CC(C)C)C2CC2)s1 ZINC000180430145 385523401 /nfs/dbraw/zinc/52/34/01/385523401.db2.gz QLKSGAWGMDWBMY-UHFFFAOYSA-N 0 1 224.373 3.072 20 0 BGADMN CCCN(CCC)Cc1ncc(C)s1 ZINC000180432616 134327408 /nfs/dbraw/zinc/32/74/08/134327408.db2.gz IPDPJZRRNIKIFQ-UHFFFAOYSA-N 0 1 212.362 3.074 20 0 BGADMN Cc1cnc(CN([C@@H](C)C2CC2)C2CC2)s1 ZINC000180434864 347028785 /nfs/dbraw/zinc/02/87/85/347028785.db2.gz 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ZINC000181544160 178883469 /nfs/dbraw/zinc/88/34/69/178883469.db2.gz VAVTVDJJCWFXLF-ZDUSSCGKSA-N 0 1 249.354 3.243 20 0 BGADMN CC[N@@H+](CCCCC(=O)[O-])Cc1ccccc1C ZINC000181545541 385582992 /nfs/dbraw/zinc/58/29/92/385582992.db2.gz QIHSZOXZPVKKIX-UHFFFAOYSA-N 0 1 249.354 3.072 20 0 BGADMN C[N@@H+](CCCCC(=O)[O-])C1CCCCCCC1 ZINC000181552136 642883176 /nfs/dbraw/zinc/88/31/76/642883176.db2.gz MQZRRXSFKOSGQX-UHFFFAOYSA-N 0 1 241.375 3.286 20 0 BGADMN C[N@@H+](CCCCC(=O)[O-])CCC1CCCCC1 ZINC000181552693 347063449 /nfs/dbraw/zinc/06/34/49/347063449.db2.gz JYZAAALWCZAGGD-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN CC[C@@H](C)[C@@H](C)[N@@H+](CCCCC(=O)[O-])C1CC1 ZINC000181556500 642882163 /nfs/dbraw/zinc/88/21/63/642882163.db2.gz BXRYEGRKAMXHNU-VXGBXAGGSA-N 0 1 241.375 3.140 20 0 BGADMN CC[C@H](C)[C@@H](C)[N@@H+](CCCCC(=O)[O-])C1CC1 ZINC000181556521 171361823 /nfs/dbraw/zinc/36/18/23/171361823.db2.gz BXRYEGRKAMXHNU-NWDGAFQWSA-N 0 1 241.375 3.140 20 0 BGADMN CC[C@@H](C)[C@H](C)[N@@H+](CCCCC(=O)[O-])C1CC1 ZINC000181556537 642883118 /nfs/dbraw/zinc/88/31/18/642883118.db2.gz BXRYEGRKAMXHNU-NEPJUHHUSA-N 0 1 241.375 3.140 20 0 BGADMN CC[C@H](C)[C@H](C)[N@@H+](CCCCC(=O)[O-])C1CC1 ZINC000181556554 171386394 /nfs/dbraw/zinc/38/63/94/171386394.db2.gz BXRYEGRKAMXHNU-RYUDHWBXSA-N 0 1 241.375 3.140 20 0 BGADMN CCC[C@]1(C)CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000181565329 642884186 /nfs/dbraw/zinc/88/41/86/642884186.db2.gz NZQKHVMKUZBAMM-CQSZACIVSA-N 0 1 241.375 3.144 20 0 BGADMN CCC[C@@]1(C)CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000181565349 642884012 /nfs/dbraw/zinc/88/40/12/642884012.db2.gz NZQKHVMKUZBAMM-AWEZNQCLSA-N 0 1 241.375 3.144 20 0 BGADMN CC(C)C[C@@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000181568399 187360783 /nfs/dbraw/zinc/36/07/83/187360783.db2.gz MMSHTZBFYBWNOI-ZDUSSCGKSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)C[C@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000181568414 188223016 /nfs/dbraw/zinc/22/30/16/188223016.db2.gz MMSHTZBFYBWNOI-CYBMUJFWSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCCC(=O)[O-] ZINC000181571564 642883665 /nfs/dbraw/zinc/88/36/65/642883665.db2.gz WQXANWZVROBLGJ-CHWSQXEVSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CCCCC(=O)[O-] ZINC000181571581 642884732 /nfs/dbraw/zinc/88/47/32/642884732.db2.gz WQXANWZVROBLGJ-OLZOCXBDSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCCC(=O)[O-] ZINC000181571596 169445675 /nfs/dbraw/zinc/44/56/75/169445675.db2.gz WQXANWZVROBLGJ-QWHCGFSZSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCCC(=O)[O-] ZINC000181571615 169540787 /nfs/dbraw/zinc/54/07/87/169540787.db2.gz WQXANWZVROBLGJ-STQMWFEESA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)CC[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181590476 642886394 /nfs/dbraw/zinc/88/63/94/642886394.db2.gz RZASEDTYPBRBCW-ZDUSSCGKSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)CC[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181590491 642886890 /nfs/dbraw/zinc/88/68/90/642886890.db2.gz RZASEDTYPBRBCW-CYBMUJFWSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181590525 169373434 /nfs/dbraw/zinc/37/34/34/169373434.db2.gz LHMFSUMKQQTWNX-OLZOCXBDSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181590540 642886848 /nfs/dbraw/zinc/88/68/48/642886848.db2.gz LHMFSUMKQQTWNX-STQMWFEESA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181590554 169374290 /nfs/dbraw/zinc/37/42/90/169374290.db2.gz LHMFSUMKQQTWNX-CHWSQXEVSA-N 0 1 241.375 3.142 20 0 BGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000181590572 642886899 /nfs/dbraw/zinc/88/68/99/642886899.db2.gz LHMFSUMKQQTWNX-QWHCGFSZSA-N 0 1 241.375 3.142 20 0 BGADMN C[C@H](NC/C=C/Cl)c1ccc(F)cc1F ZINC000181592293 385410134 /nfs/dbraw/zinc/41/01/34/385410134.db2.gz NWGJQMHYAHYRNQ-NCJLJLRUSA-N 0 1 231.673 3.368 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1ccc(F)cc1F ZINC000181592311 642884252 /nfs/dbraw/zinc/88/42/52/642884252.db2.gz NWGJQMHYAHYRNQ-IBDUZEINSA-N 0 1 231.673 3.368 20 0 BGADMN COc1cc(C)cc(CN[C@@H](C)c2ccoc2)c1 ZINC000181615094 345024816 /nfs/dbraw/zinc/02/48/16/345024816.db2.gz REQPCGFLZKWSKG-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COc1cc(C)cc(CN[C@H](C)c2ccoc2)c1 ZINC000181615115 366835422 /nfs/dbraw/zinc/83/54/22/366835422.db2.gz REQPCGFLZKWSKG-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN C[C@H](NC/C=C/Cl)c1ccc(F)c(F)c1 ZINC000181639073 385411540 /nfs/dbraw/zinc/41/15/40/385411540.db2.gz QVXNQYDPTAVOTA-NCJLJLRUSA-N 0 1 231.673 3.368 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1ccc(F)c(F)c1 ZINC000181639088 385411795 /nfs/dbraw/zinc/41/17/95/385411795.db2.gz QVXNQYDPTAVOTA-IBDUZEINSA-N 0 1 231.673 3.368 20 0 BGADMN Cc1ccc(C[N@@H+](C)Cc2ccncc2)c(C)c1 ZINC000181644699 385590674 /nfs/dbraw/zinc/59/06/74/385590674.db2.gz CDDGWKKFJKZIHL-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN CCc1nc(CSCc2ccccc2C)n[nH]1 ZINC000181707115 384595455 /nfs/dbraw/zinc/59/54/55/384595455.db2.gz XZFJKEILAHAWRE-UHFFFAOYSA-N 0 1 247.367 3.109 20 0 BGADMN CCc1nc(CSc2ccc(C)c(C)c2)n[nH]1 ZINC000181725785 366843051 /nfs/dbraw/zinc/84/30/51/366843051.db2.gz TXQPZHAYOZTOQK-UHFFFAOYSA-N 0 1 247.367 3.276 20 0 BGADMN CCc1nc(CSc2cc(C)ccc2C)n[nH]1 ZINC000181726305 366842560 /nfs/dbraw/zinc/84/25/60/366842560.db2.gz MEBSHIIDRFRJLV-UHFFFAOYSA-N 0 1 247.367 3.276 20 0 BGADMN CCc1nc(CSc2ccc(C)cc2C)n[nH]1 ZINC000181726526 366842220 /nfs/dbraw/zinc/84/22/20/366842220.db2.gz LNHKJBJFBHRRGX-UHFFFAOYSA-N 0 1 247.367 3.276 20 0 BGADMN Cc1oncc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000181732273 134338759 /nfs/dbraw/zinc/33/87/59/134338759.db2.gz UFSKRGUUVKOUQJ-XHDPSFHLSA-N 0 1 242.322 3.176 20 0 BGADMN Cc1oncc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000181732295 134338506 /nfs/dbraw/zinc/33/85/06/134338506.db2.gz UFSKRGUUVKOUQJ-IAQYHMDHSA-N 0 1 242.322 3.176 20 0 BGADMN CCOCCN[C@@H](C)c1c(F)cccc1Cl ZINC000181734779 397812694 /nfs/dbraw/zinc/81/26/94/397812694.db2.gz GDFDNUJVRYONNH-VIFPVBQESA-N 0 1 245.725 3.166 20 0 BGADMN CCOCCN[C@H](C)c1c(F)cccc1Cl ZINC000181734798 397812533 /nfs/dbraw/zinc/81/25/33/397812533.db2.gz GDFDNUJVRYONNH-SECBINFHSA-N 0 1 245.725 3.166 20 0 BGADMN CSCCN[C@@H](C)c1c(F)cccc1Cl ZINC000181745487 385414089 /nfs/dbraw/zinc/41/40/89/385414089.db2.gz HYTRYRJCHAAKGF-QMMMGPOBSA-N 0 1 247.766 3.493 20 0 BGADMN CSCCN[C@H](C)c1c(F)cccc1Cl ZINC000181745506 385413304 /nfs/dbraw/zinc/41/33/04/385413304.db2.gz HYTRYRJCHAAKGF-MRVPVSSYSA-N 0 1 247.766 3.493 20 0 BGADMN Cc1cncc(CN[C@@H](C)c2ccsc2)c1 ZINC000181844923 259365167 /nfs/dbraw/zinc/36/51/67/259365167.db2.gz CNKTUNCGMODJCB-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cncc(CN[C@H](C)c2ccsc2)c1 ZINC000181844939 259365178 /nfs/dbraw/zinc/36/51/78/259365178.db2.gz CNKTUNCGMODJCB-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1ncc([C@H](C)NCc2cncc(C)c2)s1 ZINC000181845742 538961533 /nfs/dbraw/zinc/96/15/33/538961533.db2.gz PVZRPIFRKAFDCM-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ncc([C@@H](C)NCc2cncc(C)c2)s1 ZINC000181845763 538961523 /nfs/dbraw/zinc/96/15/23/538961523.db2.gz PVZRPIFRKAFDCM-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN CC(C)OCCN[C@@H](C)c1cccc(F)c1F ZINC000181951508 167244117 /nfs/dbraw/zinc/24/41/17/167244117.db2.gz UMAYKZGSHYOYBG-JTQLQIEISA-N 0 1 243.297 3.040 20 0 BGADMN CC(C)OCCN[C@H](C)c1cccc(F)c1F ZINC000181951530 167244797 /nfs/dbraw/zinc/24/47/97/167244797.db2.gz UMAYKZGSHYOYBG-SNVBAGLBSA-N 0 1 243.297 3.040 20 0 BGADMN Cc1ccc(F)cc1CN(C)Cc1cccnc1 ZINC000182027665 385629524 /nfs/dbraw/zinc/62/95/24/385629524.db2.gz ULDNCIVIHWBGOV-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN COc1ccc([C@H](C)NC/C=C/Cl)cc1F ZINC000182030577 642945738 /nfs/dbraw/zinc/94/57/38/642945738.db2.gz OZMKOZHEEXRYOV-SWTNXBIASA-N 0 1 243.709 3.237 20 0 BGADMN COc1ccc([C@@H](C)NC/C=C/Cl)cc1F ZINC000182030597 642946882 /nfs/dbraw/zinc/94/68/82/642946882.db2.gz OZMKOZHEEXRYOV-BSPAPZMXSA-N 0 1 243.709 3.237 20 0 BGADMN Cc1cc(F)ccc1CN(C)Cc1cccnc1 ZINC000182030673 134341325 /nfs/dbraw/zinc/34/13/25/134341325.db2.gz KVRLFXYYDRVYPK-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN Cc1cccc(CN(C)Cc2cccnc2)c1C ZINC000182034273 179065719 /nfs/dbraw/zinc/06/57/19/179065719.db2.gz QLRHHHKGDZBWGC-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN CCN(Cc1ccccc1Cl)C[C@@H](C)OC ZINC000182052601 134341234 /nfs/dbraw/zinc/34/12/34/134341234.db2.gz PCCIIRZUVNTSHY-LLVKDONJSA-N 0 1 241.762 3.197 20 0 BGADMN CCN(Cc1ccccc1Cl)C[C@H](C)OC ZINC000182052623 134341290 /nfs/dbraw/zinc/34/12/90/134341290.db2.gz PCCIIRZUVNTSHY-NSHDSACASA-N 0 1 241.762 3.197 20 0 BGADMN C[C@H](NCc1cocn1)C(C)(C)c1ccccc1 ZINC000182062866 385632651 /nfs/dbraw/zinc/63/26/51/385632651.db2.gz ZGAQUPWEFYXVBZ-LBPRGKRZSA-N 0 1 244.338 3.131 20 0 BGADMN C[C@@H](NCc1cocn1)C(C)(C)c1ccccc1 ZINC000182062880 385632253 /nfs/dbraw/zinc/63/22/53/385632253.db2.gz ZGAQUPWEFYXVBZ-GFCCVEGCSA-N 0 1 244.338 3.131 20 0 BGADMN CO[C@@H](C)CN(C)[C@@H](C)c1ccccc1Cl ZINC000182071617 134341488 /nfs/dbraw/zinc/34/14/88/134341488.db2.gz XGZPEXWDZCAILD-QWRGUYRKSA-N 0 1 241.762 3.368 20 0 BGADMN CO[C@H](C)CN(C)[C@@H](C)c1ccccc1Cl ZINC000182071636 134341417 /nfs/dbraw/zinc/34/14/17/134341417.db2.gz XGZPEXWDZCAILD-MNOVXSKESA-N 0 1 241.762 3.368 20 0 BGADMN CCCCCC[C@@H](C)NCc1cocn1 ZINC000182076730 385428027 /nfs/dbraw/zinc/42/80/27/385428027.db2.gz BRPOINVGJACYKT-LLVKDONJSA-N 0 1 210.321 3.123 20 0 BGADMN CCCCCC[C@H](C)NCc1cocn1 ZINC000182076755 385429195 /nfs/dbraw/zinc/42/91/95/385429195.db2.gz BRPOINVGJACYKT-NSHDSACASA-N 0 1 210.321 3.123 20 0 BGADMN CO[C@@H](C)CN[C@@H](C)c1c(F)cccc1Cl ZINC000182443759 385447190 /nfs/dbraw/zinc/44/71/90/385447190.db2.gz RNHTWRMZSGVTBB-IUCAKERBSA-N 0 1 245.725 3.165 20 0 BGADMN CO[C@H](C)CN[C@@H](C)c1c(F)cccc1Cl ZINC000182443775 385447620 /nfs/dbraw/zinc/44/76/20/385447620.db2.gz RNHTWRMZSGVTBB-BDAKNGLRSA-N 0 1 245.725 3.165 20 0 BGADMN CO[C@@H](C)CN[C@H](C)c1c(F)cccc1Cl ZINC000182443798 174706600 /nfs/dbraw/zinc/70/66/00/174706600.db2.gz RNHTWRMZSGVTBB-DTWKUNHWSA-N 0 1 245.725 3.165 20 0 BGADMN CO[C@H](C)CN[C@H](C)c1c(F)cccc1Cl ZINC000182443817 385447904 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/nfs/dbraw/zinc/06/62/08/367066208.db2.gz DEPCLEMETVNOPC-UHFFFAOYSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1nnc(SCC2CCC(C)CC2)[nH]1 ZINC000184142493 367066204 /nfs/dbraw/zinc/06/62/04/367066204.db2.gz DEPCLEMETVNOPC-UHFFFAOYSA-N 0 1 239.388 3.286 20 0 BGADMN Cc1csc([C@@H](C)N[C@H]2C=CCCC2)n1 ZINC000184180978 367067536 /nfs/dbraw/zinc/06/75/36/367067536.db2.gz SKSKTTGBKRZMHI-MNOVXSKESA-N 0 1 222.357 3.211 20 0 BGADMN Cc1csc([C@H](C)N[C@H]2C=CCCC2)n1 ZINC000184180991 367067679 /nfs/dbraw/zinc/06/76/79/367067679.db2.gz SKSKTTGBKRZMHI-QWRGUYRKSA-N 0 1 222.357 3.211 20 0 BGADMN Cc1csc([C@@H](C)N[C@@H]2C=CCCC2)n1 ZINC000184181010 367067545 /nfs/dbraw/zinc/06/75/45/367067545.db2.gz SKSKTTGBKRZMHI-GHMZBOCLSA-N 0 1 222.357 3.211 20 0 BGADMN Cc1csc([C@H](C)N[C@@H]2C=CCCC2)n1 ZINC000184181026 367067581 /nfs/dbraw/zinc/06/75/81/367067581.db2.gz SKSKTTGBKRZMHI-WDEREUQCSA-N 0 1 222.357 3.211 20 0 BGADMN CC(C)=CCN[C@H](C)c1nc(C)cs1 ZINC000184212804 411183566 /nfs/dbraw/zinc/18/35/66/411183566.db2.gz NBQBKKODJXEOLG-SNVBAGLBSA-N 0 1 210.346 3.068 20 0 BGADMN CC(C)=CCN[C@@H](C)c1nc(C)cs1 ZINC000184212823 411183438 /nfs/dbraw/zinc/18/34/38/411183438.db2.gz NBQBKKODJXEOLG-JTQLQIEISA-N 0 1 210.346 3.068 20 0 BGADMN Cc1cncc([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000184252344 384586473 /nfs/dbraw/zinc/58/64/73/384586473.db2.gz HNDSPBNZHZJVPO-OLZOCXBDSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000184252363 179687190 /nfs/dbraw/zinc/68/71/90/179687190.db2.gz HNDSPBNZHZJVPO-STQMWFEESA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000184252375 384586063 /nfs/dbraw/zinc/58/60/63/384586063.db2.gz HNDSPBNZHZJVPO-CHWSQXEVSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000184252393 384585248 /nfs/dbraw/zinc/58/52/48/384585248.db2.gz HNDSPBNZHZJVPO-QWHCGFSZSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@@H](C)NCc2ccccc2F)c1 ZINC000184254059 384585041 /nfs/dbraw/zinc/58/50/41/384585041.db2.gz FNJZVTQHAQLCDM-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cncc([C@H](C)NCc2ccccc2F)c1 ZINC000184254074 384585452 /nfs/dbraw/zinc/58/54/52/384585452.db2.gz FNJZVTQHAQLCDM-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cncc([C@@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000184258589 384584685 /nfs/dbraw/zinc/58/46/85/384584685.db2.gz OSUXITAWUPMTGJ-QWHCGFSZSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000184258605 384586456 /nfs/dbraw/zinc/58/64/56/384586456.db2.gz OSUXITAWUPMTGJ-STQMWFEESA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@@H](C)N[C@H](C)c2cccnc2)c1 ZINC000184258619 384585116 /nfs/dbraw/zinc/58/51/16/384585116.db2.gz OSUXITAWUPMTGJ-CHWSQXEVSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@H](C)N[C@H](C)c2cccnc2)c1 ZINC000184258633 384585795 /nfs/dbraw/zinc/58/57/95/384585795.db2.gz OSUXITAWUPMTGJ-OLZOCXBDSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cncc([C@@H](C)NCc2cccc(F)c2)c1 ZINC000184267853 384589867 /nfs/dbraw/zinc/58/98/67/384589867.db2.gz ZDPBUJQWQRTWCK-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cncc([C@H](C)NCc2cccc(F)c2)c1 ZINC000184267870 384589375 /nfs/dbraw/zinc/58/93/75/384589375.db2.gz ZDPBUJQWQRTWCK-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cncc([C@@H](C)NCc2ccsc2)c1 ZINC000184278528 385680883 /nfs/dbraw/zinc/68/08/83/385680883.db2.gz KOFJZTHPGIWBRS-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cncc([C@H](C)NCc2ccsc2)c1 ZINC000184278543 385680857 /nfs/dbraw/zinc/68/08/57/385680857.db2.gz KOFJZTHPGIWBRS-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN CC[C@H](NCC=C(C)C)c1nc(C)cs1 ZINC000184389683 387947541 /nfs/dbraw/zinc/94/75/41/387947541.db2.gz IDAKBIHQEQQZHF-NSHDSACASA-N 0 1 224.373 3.458 20 0 BGADMN CC[C@@H](NCC=C(C)C)c1nc(C)cs1 ZINC000184389701 398038678 /nfs/dbraw/zinc/03/86/78/398038678.db2.gz IDAKBIHQEQQZHF-LLVKDONJSA-N 0 1 224.373 3.458 20 0 BGADMN CCN(Cc1ccccc1)[C@@H](C)c1cnccn1 ZINC000184397524 347160850 /nfs/dbraw/zinc/16/08/50/347160850.db2.gz PILCFDSGBFEVOR-ZDUSSCGKSA-N 0 1 241.338 3.060 20 0 BGADMN CCN(Cc1ccccc1)[C@H](C)c1cnccn1 ZINC000184397545 347160864 /nfs/dbraw/zinc/16/08/64/347160864.db2.gz PILCFDSGBFEVOR-CYBMUJFWSA-N 0 1 241.338 3.060 20 0 BGADMN CC/C=C/CCN1CCn2cccc2[C@@H]1C ZINC000184412875 388577200 /nfs/dbraw/zinc/57/72/00/388577200.db2.gz TZUMHVABKMONDW-IHVVCDCBSA-N 0 1 218.344 3.221 20 0 BGADMN CC/C=C/CCN1CCn2cccc2[C@H]1C ZINC000184412896 388577242 /nfs/dbraw/zinc/57/72/42/388577242.db2.gz TZUMHVABKMONDW-MUBLQREKSA-N 0 1 218.344 3.221 20 0 BGADMN CC/C=C/CCOc1ccccc1-c1nnc[nH]1 ZINC000184439400 384604606 /nfs/dbraw/zinc/60/46/06/384604606.db2.gz LXABRUALCHUWAD-ONEGZZNKSA-N 0 1 243.310 3.207 20 0 BGADMN CC/C=C/CC[N@@H+](C)Cc1ccoc1C ZINC000184469991 388578077 /nfs/dbraw/zinc/57/80/77/388578077.db2.gz JCDPPMHHFQTQNY-AATRIKPKSA-N 0 1 207.317 3.376 20 0 BGADMN CC/C=C/CC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000184614898 388580983 /nfs/dbraw/zinc/58/09/83/388580983.db2.gz AUYKIIMUMBRBHL-AATRIKPKSA-N 0 1 240.778 3.467 20 0 BGADMN CCC[C@@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000184615244 388580394 /nfs/dbraw/zinc/58/03/94/388580394.db2.gz ZPTDBBCYBMKUSM-QWHCGFSZSA-N 0 1 233.359 3.050 20 0 BGADMN CCC[C@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000184615259 388580418 /nfs/dbraw/zinc/58/04/18/388580418.db2.gz ZPTDBBCYBMKUSM-STQMWFEESA-N 0 1 233.359 3.050 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000184652553 176031818 /nfs/dbraw/zinc/03/18/18/176031818.db2.gz MEWQHWYNIWSRIX-RYUDHWBXSA-N 0 1 237.343 3.230 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000184652581 177047183 /nfs/dbraw/zinc/04/71/83/177047183.db2.gz MEWQHWYNIWSRIX-NEPJUHHUSA-N 0 1 237.343 3.230 20 0 BGADMN CCc1nc([C@@H](C)N[C@H]2C=CCCC2)cs1 ZINC000184695713 172002262 /nfs/dbraw/zinc/00/22/62/172002262.db2.gz ILERBHDDRNGJET-MNOVXSKESA-N 0 1 236.384 3.465 20 0 BGADMN CCc1nc([C@H](C)N[C@H]2C=CCCC2)cs1 ZINC000184695731 172007315 /nfs/dbraw/zinc/00/73/15/172007315.db2.gz ILERBHDDRNGJET-QWRGUYRKSA-N 0 1 236.384 3.465 20 0 BGADMN CCc1nc([C@@H](C)N[C@@H]2C=CCCC2)cs1 ZINC000184695748 172002442 /nfs/dbraw/zinc/00/24/42/172002442.db2.gz ILERBHDDRNGJET-GHMZBOCLSA-N 0 1 236.384 3.465 20 0 BGADMN CCc1nc([C@H](C)N[C@@H]2C=CCCC2)cs1 ZINC000184695764 172006899 /nfs/dbraw/zinc/00/68/99/172006899.db2.gz ILERBHDDRNGJET-WDEREUQCSA-N 0 1 236.384 3.465 20 0 BGADMN CC/C=C/CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000184697691 384641510 /nfs/dbraw/zinc/64/15/10/384641510.db2.gz CMUPRQCNIMYECL-GFUIURDCSA-N 0 1 218.344 3.431 20 0 BGADMN CCCC[C@@H]1CCC[C@@H]1NCc1ncc(C)o1 ZINC000184707284 534947882 /nfs/dbraw/zinc/94/78/82/534947882.db2.gz RVLKDHIPPIRFKW-OLZOCXBDSA-N 0 1 236.359 3.432 20 0 BGADMN CCCC[C@H]1CCC[C@@H]1NCc1ncc(C)o1 ZINC000184707302 134368597 /nfs/dbraw/zinc/36/85/97/134368597.db2.gz RVLKDHIPPIRFKW-STQMWFEESA-N 0 1 236.359 3.432 20 0 BGADMN CCCC[C@@H]1CCC[C@H]1NCc1ncc(C)o1 ZINC000184707324 134368495 /nfs/dbraw/zinc/36/84/95/134368495.db2.gz RVLKDHIPPIRFKW-CHWSQXEVSA-N 0 1 236.359 3.432 20 0 BGADMN CCCC[C@H]1CCC[C@H]1NCc1ncc(C)o1 ZINC000184707345 134368524 /nfs/dbraw/zinc/36/85/24/134368524.db2.gz RVLKDHIPPIRFKW-QWHCGFSZSA-N 0 1 236.359 3.432 20 0 BGADMN CCSCCN[C@H](C)c1csc(CC)n1 ZINC000184732780 398053487 /nfs/dbraw/zinc/05/34/87/398053487.db2.gz OJQOKJVTQVTBMM-SECBINFHSA-N 0 1 244.429 3.109 20 0 BGADMN CCSCCN[C@@H](C)c1csc(CC)n1 ZINC000184732795 398053719 /nfs/dbraw/zinc/05/37/19/398053719.db2.gz OJQOKJVTQVTBMM-VIFPVBQESA-N 0 1 244.429 3.109 20 0 BGADMN Cc1[nH]ncc1CN(C)c1cccc(C(C)C)c1 ZINC000184749046 134366307 /nfs/dbraw/zinc/36/63/07/134366307.db2.gz OIGCBCYQNOHDSQ-UHFFFAOYSA-N 0 1 243.354 3.478 20 0 BGADMN CSc1cccc(N(C)Cc2cn[nH]c2C)c1 ZINC000184750522 134366319 /nfs/dbraw/zinc/36/63/19/134366319.db2.gz FWOBKYUFOXBFGL-UHFFFAOYSA-N 0 1 247.367 3.076 20 0 BGADMN CCc1ccc([C@@H](COC)N[C@H]2C=CCCC2)o1 ZINC000184804150 384650117 /nfs/dbraw/zinc/65/01/17/384650117.db2.gz DGASJSCDRNVPCZ-GXTWGEPZSA-N 0 1 249.354 3.228 20 0 BGADMN CCc1ccc([C@H](COC)N[C@H]2C=CCCC2)o1 ZINC000184804170 384650345 /nfs/dbraw/zinc/65/03/45/384650345.db2.gz DGASJSCDRNVPCZ-JSGCOSHPSA-N 0 1 249.354 3.228 20 0 BGADMN CCc1ccc([C@@H](COC)N[C@@H]2C=CCCC2)o1 ZINC000184804189 384649440 /nfs/dbraw/zinc/64/94/40/384649440.db2.gz DGASJSCDRNVPCZ-TZMCWYRMSA-N 0 1 249.354 3.228 20 0 BGADMN CCc1ccc([C@H](COC)N[C@@H]2C=CCCC2)o1 ZINC000184804209 384649266 /nfs/dbraw/zinc/64/92/66/384649266.db2.gz DGASJSCDRNVPCZ-OCCSQVGLSA-N 0 1 249.354 3.228 20 0 BGADMN CCc1ccc([C@@H](COC)NCC=C(C)C)o1 ZINC000184826457 384654025 /nfs/dbraw/zinc/65/40/25/384654025.db2.gz HFDCESBKDHDMND-CYBMUJFWSA-N 0 1 237.343 3.085 20 0 BGADMN CCc1ccc([C@H](COC)NCC=C(C)C)o1 ZINC000184826472 384653504 /nfs/dbraw/zinc/65/35/04/384653504.db2.gz HFDCESBKDHDMND-ZDUSSCGKSA-N 0 1 237.343 3.085 20 0 BGADMN CCC[C@H](NCc1cccnc1)c1cccnc1 ZINC000184836865 367101020 /nfs/dbraw/zinc/10/10/20/367101020.db2.gz GECZCHZQCGHJSF-HNNXBMFYSA-N 0 1 241.338 3.108 20 0 BGADMN CCC[C@@H](NCc1cccnc1)c1cccnc1 ZINC000184836882 367100860 /nfs/dbraw/zinc/10/08/60/367100860.db2.gz GECZCHZQCGHJSF-OAHLLOKOSA-N 0 1 241.338 3.108 20 0 BGADMN CCC[C@H](NCc1ccco1)c1cccnc1 ZINC000184843204 384657197 /nfs/dbraw/zinc/65/71/97/384657197.db2.gz MPGDADCXFPFQNK-AWEZNQCLSA-N 0 1 230.311 3.306 20 0 BGADMN CCC[C@@H](NCc1ccco1)c1cccnc1 ZINC000184843220 384657798 /nfs/dbraw/zinc/65/77/98/384657798.db2.gz MPGDADCXFPFQNK-CQSZACIVSA-N 0 1 230.311 3.306 20 0 BGADMN CCCC[C@H](NCC(F)F)C1CCC1 ZINC000184869052 538969841 /nfs/dbraw/zinc/96/98/41/538969841.db2.gz ANDCFFPILOASNK-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CCCC[C@@H](NCC(F)F)C1CCC1 ZINC000184869067 538969371 /nfs/dbraw/zinc/96/93/71/538969371.db2.gz ANDCFFPILOASNK-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN Cc1cnc([C@@H](C)N[C@H]2C=CCCC2)s1 ZINC000184992742 490229540 /nfs/dbraw/zinc/22/95/40/490229540.db2.gz PNYCMPVOJHMKKT-MNOVXSKESA-N 0 1 222.357 3.211 20 0 BGADMN Cc1cnc([C@H](C)N[C@H]2C=CCCC2)s1 ZINC000184992758 490229683 /nfs/dbraw/zinc/22/96/83/490229683.db2.gz PNYCMPVOJHMKKT-QWRGUYRKSA-N 0 1 222.357 3.211 20 0 BGADMN Cc1cnc([C@@H](C)N[C@@H]2C=CCCC2)s1 ZINC000184992777 490229630 /nfs/dbraw/zinc/22/96/30/490229630.db2.gz PNYCMPVOJHMKKT-GHMZBOCLSA-N 0 1 222.357 3.211 20 0 BGADMN Cc1cnc([C@H](C)N[C@@H]2C=CCCC2)s1 ZINC000184992795 411394846 /nfs/dbraw/zinc/39/48/46/411394846.db2.gz PNYCMPVOJHMKKT-WDEREUQCSA-N 0 1 222.357 3.211 20 0 BGADMN CC(C)=CCN[C@H](C)c1ncc(C)s1 ZINC000185008714 188224504 /nfs/dbraw/zinc/22/45/04/188224504.db2.gz UKROXWLHQBIBPT-SNVBAGLBSA-N 0 1 210.346 3.068 20 0 BGADMN CC(C)=CCN[C@@H](C)c1ncc(C)s1 ZINC000185008733 384673353 /nfs/dbraw/zinc/67/33/53/384673353.db2.gz UKROXWLHQBIBPT-JTQLQIEISA-N 0 1 210.346 3.068 20 0 BGADMN CC[C@H](N[C@H]1C=CCCC1)c1nccs1 ZINC000185065828 205709421 /nfs/dbraw/zinc/70/94/21/205709421.db2.gz YPJNYPVATVTXIA-QWRGUYRKSA-N 0 1 222.357 3.293 20 0 BGADMN CC[C@@H](N[C@H]1C=CCCC1)c1nccs1 ZINC000185065843 385719486 /nfs/dbraw/zinc/71/94/86/385719486.db2.gz YPJNYPVATVTXIA-WDEREUQCSA-N 0 1 222.357 3.293 20 0 BGADMN CC[C@H](N[C@@H]1C=CCCC1)c1nccs1 ZINC000185065864 385719619 /nfs/dbraw/zinc/71/96/19/385719619.db2.gz YPJNYPVATVTXIA-MNOVXSKESA-N 0 1 222.357 3.293 20 0 BGADMN CC[C@@H](N[C@@H]1C=CCCC1)c1nccs1 ZINC000185065885 385719205 /nfs/dbraw/zinc/71/92/05/385719205.db2.gz YPJNYPVATVTXIA-GHMZBOCLSA-N 0 1 222.357 3.293 20 0 BGADMN CC[C@H](NCC=C(C)C)c1nccs1 ZINC000185085307 205707258 /nfs/dbraw/zinc/70/72/58/205707258.db2.gz KVYJVHOUUBUNJT-JTQLQIEISA-N 0 1 210.346 3.150 20 0 BGADMN CC[C@@H](NCC=C(C)C)c1nccs1 ZINC000185085323 385719606 /nfs/dbraw/zinc/71/96/06/385719606.db2.gz KVYJVHOUUBUNJT-SNVBAGLBSA-N 0 1 210.346 3.150 20 0 BGADMN CCC[C@H](NCc1ccoc1)c1cccnc1 ZINC000185106551 487728652 /nfs/dbraw/zinc/72/86/52/487728652.db2.gz YHDPLXYDRZIPFL-AWEZNQCLSA-N 0 1 230.311 3.306 20 0 BGADMN CCC[C@@H](NCc1ccoc1)c1cccnc1 ZINC000185106569 487728099 /nfs/dbraw/zinc/72/80/99/487728099.db2.gz YHDPLXYDRZIPFL-CQSZACIVSA-N 0 1 230.311 3.306 20 0 BGADMN CCCN(Cc1cnoc1C)Cc1ccccc1 ZINC000185146723 367121336 /nfs/dbraw/zinc/12/13/36/367121336.db2.gz IEXBYQADBQVYET-UHFFFAOYSA-N 0 1 244.338 3.395 20 0 BGADMN CCN(Cc1cnoc1C)Cc1ccccc1 ZINC000185147791 367121822 /nfs/dbraw/zinc/12/18/22/367121822.db2.gz CCRGLLQSLYILTI-UHFFFAOYSA-N 0 1 230.311 3.005 20 0 BGADMN CCN(Cc1cnoc1C)Cc1ccccc1C ZINC000185164065 367122742 /nfs/dbraw/zinc/12/27/42/367122742.db2.gz KCHXINJHWGRZPR-UHFFFAOYSA-N 0 1 244.338 3.314 20 0 BGADMN Cc1oncc1CN(C)[C@@H](C)c1ccccc1 ZINC000185169451 367123968 /nfs/dbraw/zinc/12/39/68/367123968.db2.gz PWQUEJMTBAHHBZ-NSHDSACASA-N 0 1 230.311 3.176 20 0 BGADMN Cc1oncc1CN(C)[C@H](C)c1ccccc1 ZINC000185169468 367122999 /nfs/dbraw/zinc/12/29/99/367122999.db2.gz PWQUEJMTBAHHBZ-LLVKDONJSA-N 0 1 230.311 3.176 20 0 BGADMN Cc1oncc1CN(Cc1ccccc1)C(C)C ZINC000185175768 367122537 /nfs/dbraw/zinc/12/25/37/367122537.db2.gz KMFNIQBIOLGLIU-UHFFFAOYSA-N 0 1 244.338 3.394 20 0 BGADMN Cc1oncc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000185175768 367122533 /nfs/dbraw/zinc/12/25/33/367122533.db2.gz KMFNIQBIOLGLIU-UHFFFAOYSA-N 0 1 244.338 3.394 20 0 BGADMN Cc1oncc1CN(C)[C@@H]1CCc2ccccc21 ZINC000185175899 367123756 /nfs/dbraw/zinc/12/37/56/367123756.db2.gz LWNDUUGNHCCKPK-OAHLLOKOSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1oncc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000185175899 367123750 /nfs/dbraw/zinc/12/37/50/367123750.db2.gz LWNDUUGNHCCKPK-OAHLLOKOSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1oncc1CN(C)[C@H]1CCc2ccccc21 ZINC000185175918 367123189 /nfs/dbraw/zinc/12/31/89/367123189.db2.gz LWNDUUGNHCCKPK-HNNXBMFYSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1oncc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000185175918 367123188 /nfs/dbraw/zinc/12/31/88/367123188.db2.gz LWNDUUGNHCCKPK-HNNXBMFYSA-N 0 1 242.322 3.102 20 0 BGADMN CCCCC[N@@H+](Cc1cnoc1C)C(C)C ZINC000185179153 367122703 /nfs/dbraw/zinc/12/27/03/367122703.db2.gz MPUMKWLGQJUCOM-UHFFFAOYSA-N 0 1 224.348 3.384 20 0 BGADMN Cc1oncc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000185185531 367125154 /nfs/dbraw/zinc/12/51/54/367125154.db2.gz LTFKBUMXDBZAKZ-GFCCVEGCSA-N 0 1 244.338 3.484 20 0 BGADMN Cc1oncc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000185185551 367125402 /nfs/dbraw/zinc/12/54/02/367125402.db2.gz LTFKBUMXDBZAKZ-LBPRGKRZSA-N 0 1 244.338 3.484 20 0 BGADMN CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328387 388586591 /nfs/dbraw/zinc/58/65/91/388586591.db2.gz PJGXBVINESNCOH-JTQLQIEISA-N 0 1 225.282 3.164 20 0 BGADMN CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185328402 388586373 /nfs/dbraw/zinc/58/63/73/388586373.db2.gz PJGXBVINESNCOH-SNVBAGLBSA-N 0 1 225.282 3.164 20 0 BGADMN CC(C)=CCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185331194 385727531 /nfs/dbraw/zinc/72/75/31/385727531.db2.gz MBUUCHDJXJOZNS-GFCCVEGCSA-N 0 1 236.384 3.458 20 0 BGADMN CC(C)=CCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185331213 385726212 /nfs/dbraw/zinc/72/62/12/385726212.db2.gz MBUUCHDJXJOZNS-LBPRGKRZSA-N 0 1 236.384 3.458 20 0 BGADMN CSCCN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000185395163 367130097 /nfs/dbraw/zinc/13/00/97/367130097.db2.gz ODLDBEMUMFFEMF-PWSUYJOCSA-N 0 1 239.384 3.198 20 0 BGADMN CSCC[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000185395163 367130093 /nfs/dbraw/zinc/13/00/93/367130093.db2.gz ODLDBEMUMFFEMF-PWSUYJOCSA-N 0 1 239.384 3.198 20 0 BGADMN CSCCN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000185395178 367130677 /nfs/dbraw/zinc/13/06/77/367130677.db2.gz ODLDBEMUMFFEMF-JQWIXIFHSA-N 0 1 239.384 3.198 20 0 BGADMN CSCC[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000185395178 367130671 /nfs/dbraw/zinc/13/06/71/367130671.db2.gz ODLDBEMUMFFEMF-JQWIXIFHSA-N 0 1 239.384 3.198 20 0 BGADMN CSCCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000185395197 347199496 /nfs/dbraw/zinc/19/94/96/347199496.db2.gz ODLDBEMUMFFEMF-ZYHUDNBSSA-N 0 1 239.384 3.198 20 0 BGADMN CSCCN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000185395215 367130715 /nfs/dbraw/zinc/13/07/15/367130715.db2.gz ODLDBEMUMFFEMF-CMPLNLGQSA-N 0 1 239.384 3.198 20 0 BGADMN CSCC[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000185395215 367130710 /nfs/dbraw/zinc/13/07/10/367130710.db2.gz ODLDBEMUMFFEMF-CMPLNLGQSA-N 0 1 239.384 3.198 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)C[C@@H]2CCCO2)o1 ZINC000185396725 384716214 /nfs/dbraw/zinc/71/62/14/384716214.db2.gz IKJLDGXNWTWJMW-DYEKYZERSA-N 0 1 249.354 3.014 20 0 BGADMN C[C@H]1C[C@@H]1c1ccc(CN(C)C[C@@H]2CCCO2)o1 ZINC000185396741 177351316 /nfs/dbraw/zinc/35/13/16/177351316.db2.gz IKJLDGXNWTWJMW-OBJOEFQTSA-N 0 1 249.354 3.014 20 0 BGADMN C[C@@H]1C[C@H]1c1ccc(CN(C)C[C@@H]2CCCO2)o1 ZINC000185396761 188346693 /nfs/dbraw/zinc/34/66/93/188346693.db2.gz IKJLDGXNWTWJMW-MBNYWOFBSA-N 0 1 249.354 3.014 20 0 BGADMN C[C@H]1C[C@H]1c1ccc(CN(C)C[C@@H]2CCCO2)o1 ZINC000185396778 384716591 /nfs/dbraw/zinc/71/65/91/384716591.db2.gz IKJLDGXNWTWJMW-SGMGOOAPSA-N 0 1 249.354 3.014 20 0 BGADMN C[C@@H](NCC(F)F)[C@@H](C)C1CCCCC1 ZINC000185498473 385728906 /nfs/dbraw/zinc/72/89/06/385728906.db2.gz MZBCQQQTKHRHJA-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](NCC(F)F)[C@H](C)C1CCCCC1 ZINC000185498492 385728857 /nfs/dbraw/zinc/72/88/57/385728857.db2.gz MZBCQQQTKHRHJA-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H](NCC(F)F)[C@@H](C)C1CCCCC1 ZINC000185498509 385729315 /nfs/dbraw/zinc/72/93/15/385729315.db2.gz MZBCQQQTKHRHJA-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]([C@H](C)NCC(F)F)C1CCCCC1 ZINC000185498527 385728040 /nfs/dbraw/zinc/72/80/40/385728040.db2.gz MZBCQQQTKHRHJA-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN CCC(CC)Sc1n[nH]c(C(C)(C)C)n1 ZINC000185511000 367134384 /nfs/dbraw/zinc/13/43/84/367134384.db2.gz YVZGBSLHUUBGOO-UHFFFAOYSA-N 0 1 227.377 3.383 20 0 BGADMN CCC(CC)Sc1nc(C(C)(C)C)n[nH]1 ZINC000185511000 367134383 /nfs/dbraw/zinc/13/43/83/367134383.db2.gz YVZGBSLHUUBGOO-UHFFFAOYSA-N 0 1 227.377 3.383 20 0 BGADMN CCC(CC)Sc1nc(-c2cccnc2)n[nH]1 ZINC000185531709 535089637 /nfs/dbraw/zinc/08/96/37/535089637.db2.gz PAWXXPZWNVWSNP-UHFFFAOYSA-N 0 1 248.355 3.147 20 0 BGADMN CCC(CC)Sc1nc(-c2ccccn2)n[nH]1 ZINC000185554577 535088862 /nfs/dbraw/zinc/08/88/62/535088862.db2.gz MXFSRRWLGKIQLU-UHFFFAOYSA-N 0 1 248.355 3.147 20 0 BGADMN CC[C@@H]1[C@H](C)CCN1Cc1cnc(Cl)s1 ZINC000185616218 171160509 /nfs/dbraw/zinc/16/05/09/171160509.db2.gz ZHALKKUJTMTJMT-PSASIEDQSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@H]1[C@H](C)CCN1Cc1cnc(Cl)s1 ZINC000185616237 386711906 /nfs/dbraw/zinc/71/19/06/386711906.db2.gz ZHALKKUJTMTJMT-SCZZXKLOSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H]1[C@@H](C)CCN1Cc1cnc(Cl)s1 ZINC000185616257 171155718 /nfs/dbraw/zinc/15/57/18/171155718.db2.gz ZHALKKUJTMTJMT-WCBMZHEXSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@H]1[C@@H](C)CCN1Cc1cnc(Cl)s1 ZINC000185616275 386713158 /nfs/dbraw/zinc/71/31/58/386713158.db2.gz ZHALKKUJTMTJMT-WPRPVWTQSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cn2ccsc2n1 ZINC000185650736 347207895 /nfs/dbraw/zinc/20/78/95/347207895.db2.gz SCNQHQGZHWQZNJ-JQWIXIFHSA-N 0 1 249.383 3.016 20 0 BGADMN CC/C=C/CCSc1n[nH]c(C2CC2)n1 ZINC000185691320 388590453 /nfs/dbraw/zinc/59/04/53/388590453.db2.gz FFPHCMMJINPCME-ONEGZZNKSA-N 0 1 223.345 3.131 20 0 BGADMN CC/C=C/CCSc1nc(C2CC2)n[nH]1 ZINC000185691320 388590451 /nfs/dbraw/zinc/59/04/51/388590451.db2.gz FFPHCMMJINPCME-ONEGZZNKSA-N 0 1 223.345 3.131 20 0 BGADMN CCC[C@@H]1CCCCN1Cc1cscn1 ZINC000185852840 384774177 /nfs/dbraw/zinc/77/41/77/384774177.db2.gz BLXPICZMYNBKTA-GFCCVEGCSA-N 0 1 224.373 3.298 20 0 BGADMN CCC[C@H]1CCCCN1Cc1cscn1 ZINC000185852861 384775072 /nfs/dbraw/zinc/77/50/72/384775072.db2.gz BLXPICZMYNBKTA-LBPRGKRZSA-N 0 1 224.373 3.298 20 0 BGADMN COCC1=CCN([C@@H](C)c2ccccc2F)CC1 ZINC000185856032 134397672 /nfs/dbraw/zinc/39/76/72/134397672.db2.gz WTRAQXONIKHCGQ-LBPRGKRZSA-N 0 1 249.329 3.165 20 0 BGADMN COCC1=CCN([C@H](C)c2ccccc2F)CC1 ZINC000185856050 134397767 /nfs/dbraw/zinc/39/77/67/134397767.db2.gz WTRAQXONIKHCGQ-GFCCVEGCSA-N 0 1 249.329 3.165 20 0 BGADMN CCC[C@@H]1CCCCN1Cc1nccs1 ZINC000185880136 343305779 /nfs/dbraw/zinc/30/57/79/343305779.db2.gz ZUQTUZRGIKIRDB-LLVKDONJSA-N 0 1 224.373 3.298 20 0 BGADMN CCC[C@H]1CCCCN1Cc1nccs1 ZINC000185880154 343305605 /nfs/dbraw/zinc/30/56/05/343305605.db2.gz ZUQTUZRGIKIRDB-NSHDSACASA-N 0 1 224.373 3.298 20 0 BGADMN CCN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185948557 170144371 /nfs/dbraw/zinc/14/43/71/170144371.db2.gz ZKADWWVQPHTHTP-LURJTMIESA-N 0 1 238.278 3.223 20 0 BGADMN CCN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185948572 170161921 /nfs/dbraw/zinc/16/19/21/170161921.db2.gz ZKADWWVQPHTHTP-ZCFIWIBFSA-N 0 1 238.278 3.223 20 0 BGADMN CC[C@@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186055773 384815564 /nfs/dbraw/zinc/81/55/64/384815564.db2.gz NFLGFRMLAOAVCZ-GFCCVEGCSA-N 0 1 241.338 3.032 20 0 BGADMN CC[C@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186055790 171344572 /nfs/dbraw/zinc/34/45/72/171344572.db2.gz NFLGFRMLAOAVCZ-LBPRGKRZSA-N 0 1 241.338 3.032 20 0 BGADMN COc1ccsc1[C@H](C)NCc1cccnc1 ZINC000186074795 175379518 /nfs/dbraw/zinc/37/95/18/175379518.db2.gz RONYKTXIJXYTEZ-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1ccsc1[C@@H](C)NCc1cccnc1 ZINC000186074816 175379428 /nfs/dbraw/zinc/37/94/28/175379428.db2.gz RONYKTXIJXYTEZ-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN COc1ccsc1[C@H](C)NCc1ccoc1 ZINC000186121592 175379701 /nfs/dbraw/zinc/37/97/01/175379701.db2.gz UHJUYVWOONPCBV-VIFPVBQESA-N 0 1 237.324 3.201 20 0 BGADMN COc1ccsc1[C@@H](C)NCc1ccoc1 ZINC000186121611 175379696 /nfs/dbraw/zinc/37/96/96/175379696.db2.gz UHJUYVWOONPCBV-SECBINFHSA-N 0 1 237.324 3.201 20 0 BGADMN CN(Cc1ccccc1)Cc1cc(O)cc(F)c1 ZINC000186149711 387074368 /nfs/dbraw/zinc/07/43/68/387074368.db2.gz BAWPGFKRHFHENH-UHFFFAOYSA-N 0 1 245.297 3.163 20 0 BGADMN CCSCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186172986 387073475 /nfs/dbraw/zinc/07/34/75/387073475.db2.gz BIFXNNGJVAKZIO-UHFFFAOYSA-N 0 1 247.407 3.287 20 0 BGADMN Cl/C=C/CN1Cc2ccccc2C2(CC2)C1 ZINC000186174757 643637893 /nfs/dbraw/zinc/63/78/93/643637893.db2.gz XSIXAYCGPNXVCD-FPYGCLRLSA-N 0 1 233.742 3.286 20 0 BGADMN CCSc1cccc(C[N@@H+](C)CC)c1 ZINC000186174956 387074593 /nfs/dbraw/zinc/07/45/93/387074593.db2.gz NXXXEAICZUMTTH-UHFFFAOYSA-N 0 1 209.358 3.250 20 0 BGADMN CCSc1cccc(C[N@@H+](C)C2CC2)c1 ZINC000186182356 387073822 /nfs/dbraw/zinc/07/38/22/387073822.db2.gz RSMZFULWXAEFIX-UHFFFAOYSA-N 0 1 221.369 3.393 20 0 BGADMN CC(C)C[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000186187118 387073435 /nfs/dbraw/zinc/07/34/35/387073435.db2.gz BDHHAFKCYWBWNR-UHFFFAOYSA-N 0 1 237.318 3.152 20 0 BGADMN C[C@@H](C1CC1)[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000186187195 387074477 /nfs/dbraw/zinc/07/44/77/387074477.db2.gz XUDWJEUXYUFXLK-JTQLQIEISA-N 0 1 249.329 3.294 20 0 BGADMN C[C@H](C1CC1)[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000186187211 387073204 /nfs/dbraw/zinc/07/32/04/387073204.db2.gz XUDWJEUXYUFXLK-SNVBAGLBSA-N 0 1 249.329 3.294 20 0 BGADMN CC(C)C1(C)CCN(Cc2nccs2)CC1 ZINC000186193731 385751268 /nfs/dbraw/zinc/75/12/68/385751268.db2.gz XDDVUFFFGODJSO-UHFFFAOYSA-N 0 1 238.400 3.401 20 0 BGADMN CC(C)C1(C)CCN(Cc2cscn2)CC1 ZINC000186194916 385752763 /nfs/dbraw/zinc/75/27/63/385752763.db2.gz HKZYDLMKWGSNOP-UHFFFAOYSA-N 0 1 238.400 3.401 20 0 BGADMN CCn1ccnc1CN1CCC(C)(C(C)C)CC1 ZINC000186195659 385752962 /nfs/dbraw/zinc/75/29/62/385752962.db2.gz HFMIFUDNCNDREM-UHFFFAOYSA-N 0 1 249.402 3.161 20 0 BGADMN CC(C)c1nc([C@@H](C)NC2CC2)cs1 ZINC000186195900 386732858 /nfs/dbraw/zinc/73/28/58/386732858.db2.gz HMOZZSJVJNJLPS-MRVPVSSYSA-N 0 1 210.346 3.080 20 0 BGADMN CC(C)c1nc([C@H](C)NC2CC2)cs1 ZINC000186195918 385752871 /nfs/dbraw/zinc/75/28/71/385752871.db2.gz HMOZZSJVJNJLPS-QMMMGPOBSA-N 0 1 210.346 3.080 20 0 BGADMN Cc1cc(CN2CCC(C)(C(C)C)CC2)no1 ZINC000186202014 219873217 /nfs/dbraw/zinc/87/32/17/219873217.db2.gz XHMMWUXFSWERJM-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN Cc1cnc(CN2CCC(C)(C(C)C)CC2)o1 ZINC000186203688 385748083 /nfs/dbraw/zinc/74/80/83/385748083.db2.gz FICYNFUQZPITMB-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN Oc1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000186229661 385750676 /nfs/dbraw/zinc/75/06/76/385750676.db2.gz GRAXIBMPYFLEIZ-BETUJISGSA-N 0 1 249.329 3.153 20 0 BGADMN CC(C)[N@@H+](Cc1cc(O)cc(F)c1)C1CCC1 ZINC000186238834 387083713 /nfs/dbraw/zinc/08/37/13/387083713.db2.gz GRUQAROUUXMMPC-UHFFFAOYSA-N 0 1 237.318 3.294 20 0 BGADMN CCC1(CC)CCN(Cc2cc(C)on2)CC1 ZINC000186538045 411410095 /nfs/dbraw/zinc/41/00/95/411410095.db2.gz QTTXEQFWZGVXMP-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN CCC1(CC)CCN(Cc2ncc(C)o2)CC1 ZINC000186539255 411410431 /nfs/dbraw/zinc/41/04/31/411410431.db2.gz VEMWHKOQMVBXLG-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN C[C@H](N[C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186544778 384855494 /nfs/dbraw/zinc/85/54/94/384855494.db2.gz CPFAGVDHXXPRNK-JSGCOSHPSA-N 0 1 245.322 3.054 20 0 BGADMN C[C@@H](N[C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186544798 175910604 /nfs/dbraw/zinc/91/06/04/175910604.db2.gz CPFAGVDHXXPRNK-OCCSQVGLSA-N 0 1 245.322 3.054 20 0 BGADMN C[C@H](N[C@H](CCO)c1ccco1)c1ccccc1 ZINC000186544819 384854498 /nfs/dbraw/zinc/85/44/98/384854498.db2.gz CPFAGVDHXXPRNK-GXTWGEPZSA-N 0 1 245.322 3.054 20 0 BGADMN C[C@@H](N[C@H](CCO)c1ccco1)c1ccccc1 ZINC000186544834 384854701 /nfs/dbraw/zinc/85/47/01/384854701.db2.gz CPFAGVDHXXPRNK-TZMCWYRMSA-N 0 1 245.322 3.054 20 0 BGADMN CCC1(CC)CCN(Cc2ccon2)CC1 ZINC000186550240 398055102 /nfs/dbraw/zinc/05/51/02/398055102.db2.gz IAWLOYQDXCOJMO-UHFFFAOYSA-N 0 1 222.332 3.077 20 0 BGADMN CCn1ccnc1CN1CCC(CC)(CC)CC1 ZINC000186551201 398055153 /nfs/dbraw/zinc/05/51/53/398055153.db2.gz VNUMEIMLHHOADW-UHFFFAOYSA-N 0 1 249.402 3.305 20 0 BGADMN Cc1ccc(CN(C)Cc2ccccc2)c(C)n1 ZINC000186559188 387110982 /nfs/dbraw/zinc/11/09/82/387110982.db2.gz DDRFVIQQGGCUEZ-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN CCc1nc(CSCC2CCCCC2)n[nH]1 ZINC000186597671 387111853 /nfs/dbraw/zinc/11/18/53/387111853.db2.gz YSQCRYTZRLBYSJ-UHFFFAOYSA-N 0 1 239.388 3.181 20 0 BGADMN Fc1ccc(F)c(CN2CCCC3(CC3)C2)c1 ZINC000186612674 387115815 /nfs/dbraw/zinc/11/58/15/387115815.db2.gz DHDJGLRLXKAPMX-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN CC(C)(C)n1cc(CN2CCCC3(CC3)C2)cn1 ZINC000186615034 387116955 /nfs/dbraw/zinc/11/69/55/387116955.db2.gz LNLMBIYSKWQYCD-UHFFFAOYSA-N 0 1 247.386 3.014 20 0 BGADMN Fc1cc(F)cc(CN2CCCC3(CC3)C2)c1 ZINC000186615830 387117361 /nfs/dbraw/zinc/11/73/61/387117361.db2.gz GWXCGDJKBIEZJN-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN Fc1ccc(CN2CCCC3(CC3)C2)cc1F ZINC000186625506 387117423 /nfs/dbraw/zinc/11/74/23/387117423.db2.gz SLZMGLBNOBIJDY-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN Fc1ccc(CN2CCCC3(CC3)C2)c(F)c1 ZINC000186627423 387117314 /nfs/dbraw/zinc/11/73/14/387117314.db2.gz AQNDLNAWFHQTFN-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN Fc1cccc(CN2CCCC3(CC3)C2)c1F ZINC000186628099 387116981 /nfs/dbraw/zinc/11/69/81/387116981.db2.gz VIHWSCGSESLQHU-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN C#C[C@H](C)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000186846926 644151179 /nfs/dbraw/zinc/15/11/79/644151179.db2.gz UCYGNIQWSFQGHI-GYXDYACRSA-N 0 1 242.105 3.140 20 0 BGADMN C#C[C@@H](C)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000186846944 644150544 /nfs/dbraw/zinc/15/05/44/644150544.db2.gz UCYGNIQWSFQGHI-IOCLVDNSSA-N 0 1 242.105 3.140 20 0 BGADMN Cc1nc(CN2CCCC3(CC3)C2)sc1C ZINC000186954061 346550005 /nfs/dbraw/zinc/55/00/05/346550005.db2.gz QPCXKRWAVCTJRV-UHFFFAOYSA-N 0 1 236.384 3.136 20 0 BGADMN Clc1cnccc1CN1CCCC2(CC2)C1 ZINC000186969005 346549862 /nfs/dbraw/zinc/54/98/62/346549862.db2.gz FSSWLESLYXKTSK-UHFFFAOYSA-N 0 1 236.746 3.111 20 0 BGADMN c1ccc2oc(CN3CCCC4(CC4)C3)nc2c1 ZINC000186975893 387156966 /nfs/dbraw/zinc/15/69/66/387156966.db2.gz PDCDLWAQGMNLGE-UHFFFAOYSA-N 0 1 242.322 3.204 20 0 BGADMN Clc1cc(CN2CCCC3(CC3)C2)ccn1 ZINC000186983250 384903458 /nfs/dbraw/zinc/90/34/58/384903458.db2.gz NYCQSMNRPCJYSH-UHFFFAOYSA-N 0 1 236.746 3.111 20 0 BGADMN COCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187132769 174377975 /nfs/dbraw/zinc/37/79/75/174377975.db2.gz WFPLCWKMXDBQHO-UHFFFAOYSA-N 0 1 248.351 3.124 20 0 BGADMN CCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187134560 388605794 /nfs/dbraw/zinc/60/57/94/388605794.db2.gz BNZJSLFYFGSQPY-UHFFFAOYSA-N 0 1 218.325 3.497 20 0 BGADMN CC(C)(C)CCOc1ccccc1-c1nnc[nH]1 ZINC000187179526 384921113 /nfs/dbraw/zinc/92/11/13/384921113.db2.gz MEQUBAOTHXECSL-UHFFFAOYSA-N 0 1 245.326 3.287 20 0 BGADMN CCCCCCOc1ccccc1-c1nnc[nH]1 ZINC000187179574 384921671 /nfs/dbraw/zinc/92/16/71/384921671.db2.gz JWESPTXCXCLOMQ-UHFFFAOYSA-N 0 1 245.326 3.431 20 0 BGADMN c1nc(CNC2(Cc3ccccc3)CC2)cs1 ZINC000187493757 183390534 /nfs/dbraw/zinc/39/05/34/183390534.db2.gz HOVBNFSEOZVUOQ-UHFFFAOYSA-N 0 1 244.363 3.008 20 0 BGADMN Cc1ccc(C[N@H+]2CCCC3(CC3)C2)c(C)n1 ZINC000187567958 387206151 /nfs/dbraw/zinc/20/61/51/387206151.db2.gz MJGGPNAJJCXSOD-UHFFFAOYSA-N 0 1 230.355 3.074 20 0 BGADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000187582169 387205978 /nfs/dbraw/zinc/20/59/78/387205978.db2.gz LEMQSQWTAPHHDC-TZMCWYRMSA-N 0 1 249.402 3.259 20 0 BGADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000187582189 387205945 /nfs/dbraw/zinc/20/59/45/387205945.db2.gz LEMQSQWTAPHHDC-OCCSQVGLSA-N 0 1 249.402 3.259 20 0 BGADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000187582215 387204928 /nfs/dbraw/zinc/20/49/28/387204928.db2.gz LEMQSQWTAPHHDC-GXTWGEPZSA-N 0 1 249.402 3.259 20 0 BGADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000187582236 387206414 /nfs/dbraw/zinc/20/64/14/387206414.db2.gz LEMQSQWTAPHHDC-JSGCOSHPSA-N 0 1 249.402 3.259 20 0 BGADMN CCC[C@@H](C)N1CCO[C@H](c2cccs2)C1 ZINC000187663197 169367161 /nfs/dbraw/zinc/36/71/61/169367161.db2.gz AULIFRBSLAJHSD-NEPJUHHUSA-N 0 1 239.384 3.310 20 0 BGADMN CCC[C@H](C)N1CCO[C@H](c2cccs2)C1 ZINC000187663219 384969435 /nfs/dbraw/zinc/96/94/35/384969435.db2.gz AULIFRBSLAJHSD-RYUDHWBXSA-N 0 1 239.384 3.310 20 0 BGADMN CCCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187676317 384971888 /nfs/dbraw/zinc/97/18/88/384971888.db2.gz GWKILIBEYBLUDH-ZDUSSCGKSA-N 0 1 247.317 3.028 20 0 BGADMN CCCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187676334 384972616 /nfs/dbraw/zinc/97/26/16/384972616.db2.gz GWKILIBEYBLUDH-CYBMUJFWSA-N 0 1 247.317 3.028 20 0 BGADMN c1coc(CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000187677670 387223771 /nfs/dbraw/zinc/22/37/71/387223771.db2.gz ZWRKXXRWMHFEBO-UHFFFAOYSA-N 0 1 239.318 3.327 20 0 BGADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000187684052 180281718 /nfs/dbraw/zinc/28/17/18/180281718.db2.gz JYJFAJDWERPVGV-WCQYABFASA-N 0 1 241.338 3.197 20 0 BGADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000187684076 180284463 /nfs/dbraw/zinc/28/44/63/180284463.db2.gz JYJFAJDWERPVGV-AAEUAGOBSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000187684095 180281889 /nfs/dbraw/zinc/28/18/89/180281889.db2.gz JYJFAJDWERPVGV-DGCLKSJQSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccccc1 ZINC000187684115 180283486 /nfs/dbraw/zinc/28/34/86/180283486.db2.gz JYJFAJDWERPVGV-YPMHNXCESA-N 0 1 241.338 3.197 20 0 BGADMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cccs1 ZINC000187689699 180282219 /nfs/dbraw/zinc/28/22/19/180282219.db2.gz QOUYNWZXLGWJRK-GXSJLCMTSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1nccnc1[C@H](C)N[C@@H](C)c1cccs1 ZINC000187689716 180284395 /nfs/dbraw/zinc/28/43/95/180284395.db2.gz QOUYNWZXLGWJRK-ONGXEEELSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1nccnc1[C@@H](C)N[C@H](C)c1cccs1 ZINC000187689739 180281556 /nfs/dbraw/zinc/28/15/56/180281556.db2.gz QOUYNWZXLGWJRK-MWLCHTKSSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1nccnc1[C@H](C)N[C@H](C)c1cccs1 ZINC000187689756 180283621 /nfs/dbraw/zinc/28/36/21/180283621.db2.gz QOUYNWZXLGWJRK-KOLCDFICSA-N 0 1 247.367 3.258 20 0 BGADMN CCC[C@@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000187706789 169367253 /nfs/dbraw/zinc/36/72/53/169367253.db2.gz LZWHISMJTRZSNH-YPMHNXCESA-N 0 1 239.384 3.310 20 0 BGADMN CCC[C@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000187706806 384977500 /nfs/dbraw/zinc/97/75/00/384977500.db2.gz LZWHISMJTRZSNH-AAEUAGOBSA-N 0 1 239.384 3.310 20 0 BGADMN CCCC1CCC(N(C)Cc2nccn2C)CC1 ZINC000187718092 387230953 /nfs/dbraw/zinc/23/09/53/387230953.db2.gz NTUBTMDPTNPIIR-UHFFFAOYSA-N 0 1 249.402 3.211 20 0 BGADMN CCCC1CCC([N@@H+](C)Cc2nccn2C)CC1 ZINC000187718092 387230946 /nfs/dbraw/zinc/23/09/46/387230946.db2.gz NTUBTMDPTNPIIR-UHFFFAOYSA-N 0 1 249.402 3.211 20 0 BGADMN Fc1cccc(F)c1[C@@H]1CC[N@H+](C2CCC2)C1 ZINC000187727681 387231759 /nfs/dbraw/zinc/23/17/59/387231759.db2.gz OXDUHMRZNBTUHY-SNVBAGLBSA-N 0 1 237.293 3.307 20 0 BGADMN Fc1cccc(F)c1[C@H]1CC[N@H+](C2CCC2)C1 ZINC000187727698 387231795 /nfs/dbraw/zinc/23/17/95/387231795.db2.gz OXDUHMRZNBTUHY-JTQLQIEISA-N 0 1 237.293 3.307 20 0 BGADMN CC(C)(C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000187844870 384988446 /nfs/dbraw/zinc/98/84/46/384988446.db2.gz YQMTZUBNVAWURC-ZDUSSCGKSA-N 0 1 243.354 3.135 20 0 BGADMN CC(C)(C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000187844900 384988842 /nfs/dbraw/zinc/98/88/42/384988842.db2.gz YQMTZUBNVAWURC-CYBMUJFWSA-N 0 1 243.354 3.135 20 0 BGADMN Cc1nc(CN2CCCC[C@H](C)C2)cs1 ZINC000187914999 384996054 /nfs/dbraw/zinc/99/60/54/384996054.db2.gz FSGUVJWCKJFRJW-JTQLQIEISA-N 0 1 224.373 3.074 20 0 BGADMN Cc1nc(CN2CCCC[C@@H](C)C2)cs1 ZINC000187915031 384996427 /nfs/dbraw/zinc/99/64/27/384996427.db2.gz FSGUVJWCKJFRJW-SNVBAGLBSA-N 0 1 224.373 3.074 20 0 BGADMN CC(C)n1ccc(CN2CCCC[C@@H](C)C2)n1 ZINC000187933443 387219870 /nfs/dbraw/zinc/21/98/70/387219870.db2.gz RETBFQWDZODMMY-CYBMUJFWSA-N 0 1 235.375 3.086 20 0 BGADMN CC(C)n1ccc(CN2CCCC[C@H](C)C2)n1 ZINC000187933474 387220917 /nfs/dbraw/zinc/22/09/17/387220917.db2.gz RETBFQWDZODMMY-ZDUSSCGKSA-N 0 1 235.375 3.086 20 0 BGADMN C[C@@H]1CCCCN(Cc2cnc(Cl)s2)C1 ZINC000187934805 176065690 /nfs/dbraw/zinc/06/56/90/176065690.db2.gz IPKVYTGRXNLVLV-SECBINFHSA-N 0 1 244.791 3.419 20 0 BGADMN C[C@H]1CCCCN(Cc2cnc(Cl)s2)C1 ZINC000187934837 177070776 /nfs/dbraw/zinc/07/07/76/177070776.db2.gz IPKVYTGRXNLVLV-VIFPVBQESA-N 0 1 244.791 3.419 20 0 BGADMN Cc1csc(C[N@@H+]2CCCC[C@H](C)C2)n1 ZINC000187945616 384999030 /nfs/dbraw/zinc/99/90/30/384999030.db2.gz VDZGWDGBLZNYCL-JTQLQIEISA-N 0 1 224.373 3.074 20 0 BGADMN Cc1csc(C[N@@H+]2CCCC[C@@H](C)C2)n1 ZINC000187945638 384999764 /nfs/dbraw/zinc/99/97/64/384999764.db2.gz VDZGWDGBLZNYCL-SNVBAGLBSA-N 0 1 224.373 3.074 20 0 BGADMN CCc1nc(CN2CCCC[C@H](C)C2)cs1 ZINC000187951820 387221303 /nfs/dbraw/zinc/22/13/03/387221303.db2.gz 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AXWNNAPUZYJWEX-HNNXBMFYSA-N 0 1 238.334 3.167 20 0 BGADMN Cc1ccccc1CN[C@H]1CCc2cccnc21 ZINC000226813562 635440910 /nfs/dbraw/zinc/44/09/10/635440910.db2.gz HLCHQEVSIIEFOJ-HNNXBMFYSA-N 0 1 238.334 3.167 20 0 BGADMN Cc1ccc(CN[C@@H]2CCc3cccnc32)s1 ZINC000226818428 640794722 /nfs/dbraw/zinc/79/47/22/640794722.db2.gz MNNRTTSGUYMNFA-CYBMUJFWSA-N 0 1 244.363 3.229 20 0 BGADMN Cc1ccc(CN[C@H]2CCc3cccnc32)s1 ZINC000226818435 640794917 /nfs/dbraw/zinc/79/49/17/640794917.db2.gz MNNRTTSGUYMNFA-ZDUSSCGKSA-N 0 1 244.363 3.229 20 0 BGADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1ccsc1 ZINC000226819436 640794245 /nfs/dbraw/zinc/79/42/45/640794245.db2.gz VAISEBUXDVALSQ-ZWNOBZJWSA-N 0 1 244.363 3.481 20 0 BGADMN C[C@H](N[C@@H]1CCc2cccnc21)c1ccsc1 ZINC000226819447 640793178 /nfs/dbraw/zinc/79/31/78/640793178.db2.gz VAISEBUXDVALSQ-GXFFZTMASA-N 0 1 244.363 3.481 20 0 BGADMN C[C@@H](N[C@H]1CCc2cccnc21)c1ccsc1 ZINC000226819452 640794433 /nfs/dbraw/zinc/79/44/33/640794433.db2.gz VAISEBUXDVALSQ-MFKMUULPSA-N 0 1 244.363 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/nfs/dbraw/zinc/03/87/31/372038731.db2.gz OMIHTHWEGPJEEX-QMMMGPOBSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H](NC1C[C@H](C)C[C@@H](C)C1)C(F)F ZINC000228514907 487669916 /nfs/dbraw/zinc/66/99/16/487669916.db2.gz CNCFNNBSZIRMBQ-IWSPIJDZSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@H](NC1C[C@H](C)C[C@@H](C)C1)C(F)F ZINC000228514911 487669718 /nfs/dbraw/zinc/66/97/18/487669718.db2.gz CNCFNNBSZIRMBQ-HLTSFMKQSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@@H](N[C@H]1CC[C@@H](C)[C@@H](C)C1)C(F)F ZINC000228514924 487669982 /nfs/dbraw/zinc/66/99/82/487669982.db2.gz YNFSCXCECNQAKQ-RGOKHQFPSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@H](N[C@H]1CC[C@@H](C)[C@@H](C)C1)C(F)F ZINC000228514927 487669731 /nfs/dbraw/zinc/66/97/31/487669731.db2.gz YNFSCXCECNQAKQ-KATARQTJSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@@H]1CCC[C@@H](N[C@@H](C)C(F)F)C1 ZINC000228514931 487669579 /nfs/dbraw/zinc/66/95/79/487669579.db2.gz KTPZINGBVYNMAX-IVZWLZJFSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H]1CCC[C@H](N[C@@H](C)C(F)F)C1 ZINC000228514937 488020037 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ZINC000263818278 187331990 /nfs/dbraw/zinc/33/19/90/187331990.db2.gz YWOMKCMOVRYUCM-UHFFFAOYSA-N 0 1 230.311 3.085 20 0 BGADMN CC(C)[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000263818278 187331989 /nfs/dbraw/zinc/33/19/89/187331989.db2.gz YWOMKCMOVRYUCM-UHFFFAOYSA-N 0 1 230.311 3.085 20 0 BGADMN C[C@@H](NCc1ccccc1N(C)C)c1ccco1 ZINC000263842928 386183209 /nfs/dbraw/zinc/18/32/09/386183209.db2.gz IMBNCWWHJKIRLB-GFCCVEGCSA-N 0 1 244.338 3.196 20 0 BGADMN C[C@H](NCc1ccccc1N(C)C)c1ccco1 ZINC000263842929 386183550 /nfs/dbraw/zinc/18/35/50/386183550.db2.gz IMBNCWWHJKIRLB-LBPRGKRZSA-N 0 1 244.338 3.196 20 0 BGADMN C[C@H](c1ccccc1)N(C)Cc1ccco1 ZINC000263846675 177039095 /nfs/dbraw/zinc/03/90/95/177039095.db2.gz SYKSDPSRZHFFQH-GFCCVEGCSA-N 0 1 215.296 3.473 20 0 BGADMN C[C@@H](c1ccccc1)N(C)Cc1ccco1 ZINC000263846680 176021124 /nfs/dbraw/zinc/02/11/24/176021124.db2.gz SYKSDPSRZHFFQH-LBPRGKRZSA-N 0 1 215.296 3.473 20 0 BGADMN c1cc(CN[C@@H](c2ccccc2)C2CCC2)on1 ZINC000264215723 386217885 /nfs/dbraw/zinc/21/78/85/386217885.db2.gz UFGGHWICEWCNHE-HNNXBMFYSA-N 0 1 242.322 3.306 20 0 BGADMN c1cc(CN[C@H](c2ccccc2)C2CCC2)on1 ZINC000264215725 386216707 /nfs/dbraw/zinc/21/67/07/386216707.db2.gz UFGGHWICEWCNHE-OAHLLOKOSA-N 0 1 242.322 3.306 20 0 BGADMN CCN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000264274950 351230794 /nfs/dbraw/zinc/23/07/94/351230794.db2.gz NECAHLVYYQRKBT-UHFFFAOYSA-N 0 1 240.350 3.412 20 0 BGADMN CC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000264274950 351230789 /nfs/dbraw/zinc/23/07/89/351230789.db2.gz NECAHLVYYQRKBT-UHFFFAOYSA-N 0 1 240.350 3.412 20 0 BGADMN CC(C)(C)[C@H]1CCCN1Cc1cscn1 ZINC000264277762 386223793 /nfs/dbraw/zinc/22/37/93/386223793.db2.gz NZOOYQUHSOFRQR-LLVKDONJSA-N 0 1 224.373 3.154 20 0 BGADMN CC(C)(C)[C@@H]1CCCN1Cc1cscn1 ZINC000264277763 188021899 /nfs/dbraw/zinc/02/18/99/188021899.db2.gz NZOOYQUHSOFRQR-NSHDSACASA-N 0 1 224.373 3.154 20 0 BGADMN CCN(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000264301925 351232283 /nfs/dbraw/zinc/23/22/83/351232283.db2.gz VVQKHQWZHUZPFB-UHFFFAOYSA-N 0 1 244.313 3.243 20 0 BGADMN C[C@H](c1cccc(F)c1)N(C)Cc1ccccn1 ZINC000264310461 177036885 /nfs/dbraw/zinc/03/68/85/177036885.db2.gz YHAXCCAZCHWYJL-GFCCVEGCSA-N 0 1 244.313 3.414 20 0 BGADMN C[C@@H](c1cccc(F)c1)N(C)Cc1ccccn1 ZINC000264310462 176018227 /nfs/dbraw/zinc/01/82/27/176018227.db2.gz YHAXCCAZCHWYJL-LBPRGKRZSA-N 0 1 244.313 3.414 20 0 BGADMN CCOc1ccc(CNCc2ccoc2)cc1F ZINC000264350442 386228909 /nfs/dbraw/zinc/22/89/09/386228909.db2.gz CUYQQLKDAKMFNK-UHFFFAOYSA-N 0 1 249.285 3.107 20 0 BGADMN COc1ccnc(C[N@@H+](C)C2CCC(C)CC2)c1 ZINC000264392532 187332016 /nfs/dbraw/zinc/33/20/16/187332016.db2.gz FDPUFHWYMWJVFL-UHFFFAOYSA-N 0 1 248.370 3.101 20 0 BGADMN C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCOC1 ZINC000264407402 386234117 /nfs/dbraw/zinc/23/41/17/386234117.db2.gz ILNMLGHSHAYDLS-INIZCTEOSA-N 0 1 241.334 3.061 20 0 BGADMN C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCOC1 ZINC000264407404 386234685 /nfs/dbraw/zinc/23/46/85/386234685.db2.gz ILNMLGHSHAYDLS-MRXNPFEDSA-N 0 1 241.334 3.061 20 0 BGADMN CC[C@H](O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000264464437 386240137 /nfs/dbraw/zinc/24/01/37/386240137.db2.gz QGVGJSWTSGMPIR-LBPRGKRZSA-N 0 1 249.379 3.104 20 0 BGADMN C[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000264473629 177167261 /nfs/dbraw/zinc/16/72/61/177167261.db2.gz ODGPQXRRAMJAAC-JTQLQIEISA-N 0 1 248.351 3.245 20 0 BGADMN C[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000264473630 176177879 /nfs/dbraw/zinc/17/78/79/176177879.db2.gz ODGPQXRRAMJAAC-SNVBAGLBSA-N 0 1 248.351 3.245 20 0 BGADMN CC1(C(=O)Nc2ccc3nc[nH]c3c2)CCCC1 ZINC000264546550 398323873 /nfs/dbraw/zinc/32/38/73/398323873.db2.gz VBFNAKDXAHROPP-UHFFFAOYSA-N 0 1 243.310 3.082 20 0 BGADMN C[C@H](c1ccccc1)N(Cc1ccno1)C1CC1 ZINC000264679138 177038718 /nfs/dbraw/zinc/03/87/18/177038718.db2.gz BXUYCQDPZWNCJI-GFCCVEGCSA-N 0 1 242.322 3.400 20 0 BGADMN C[C@@H](c1ccccc1)N(Cc1ccno1)C1CC1 ZINC000264679139 176020085 /nfs/dbraw/zinc/02/00/85/176020085.db2.gz BXUYCQDPZWNCJI-LBPRGKRZSA-N 0 1 242.322 3.400 20 0 BGADMN CC(C)N(Cc1ccno1)Cc1ccc(F)cc1 ZINC000264686038 188371411 /nfs/dbraw/zinc/37/14/11/188371411.db2.gz FKMKRMPXABRWHB-UHFFFAOYSA-N 0 1 248.301 3.224 20 0 BGADMN Cc1ccc([C@@H](C)N(C)Cc2ccno2)c(C)c1 ZINC000264687228 397923879 /nfs/dbraw/zinc/92/38/79/397923879.db2.gz GAUDGCCQYAVRDZ-CYBMUJFWSA-N 0 1 244.338 3.484 20 0 BGADMN Cc1ccc([C@H](C)N(C)Cc2ccno2)c(C)c1 ZINC000264687229 397923789 /nfs/dbraw/zinc/92/37/89/397923789.db2.gz GAUDGCCQYAVRDZ-ZDUSSCGKSA-N 0 1 244.338 3.484 20 0 BGADMN C[C@H](c1ccncc1)N(C)CCC(F)(F)F ZINC000264687233 177049701 /nfs/dbraw/zinc/04/97/01/177049701.db2.gz GBCZHFLPXATKNO-SECBINFHSA-N 0 1 232.249 3.027 20 0 BGADMN C[C@@H](c1ccncc1)N(C)CCC(F)(F)F ZINC000264688313 176034089 /nfs/dbraw/zinc/03/40/89/176034089.db2.gz GBCZHFLPXATKNO-VIFPVBQESA-N 0 1 232.249 3.027 20 0 BGADMN C[C@@H](c1ccncc1)[N@@H+](C)CCC(F)(F)F ZINC000264688313 176034088 /nfs/dbraw/zinc/03/40/88/176034088.db2.gz GBCZHFLPXATKNO-VIFPVBQESA-N 0 1 232.249 3.027 20 0 BGADMN CCCN(Cc1ccno1)Cc1ccc(F)cc1 ZINC000264696904 169174808 /nfs/dbraw/zinc/17/48/08/169174808.db2.gz IUTQICXVGYIQNI-UHFFFAOYSA-N 0 1 248.301 3.226 20 0 BGADMN Cc1ccccc1[C@@H](C)N(C)Cc1ccno1 ZINC000264702036 179318566 /nfs/dbraw/zinc/31/85/66/179318566.db2.gz KCBCXOLAOMEGQQ-GFCCVEGCSA-N 0 1 230.311 3.176 20 0 BGADMN Cc1ccccc1[C@H](C)N(C)Cc1ccno1 ZINC000264702039 179334284 /nfs/dbraw/zinc/33/42/84/179334284.db2.gz KCBCXOLAOMEGQQ-LBPRGKRZSA-N 0 1 230.311 3.176 20 0 BGADMN CC(C)N(Cc1ccno1)Cc1cccs1 ZINC000264753443 187331572 /nfs/dbraw/zinc/33/15/72/187331572.db2.gz XFSDARZGOYKMHG-UHFFFAOYSA-N 0 1 236.340 3.147 20 0 BGADMN CC(C)[N@@H+](Cc1ccno1)Cc1cccs1 ZINC000264753443 187331571 /nfs/dbraw/zinc/33/15/71/187331571.db2.gz XFSDARZGOYKMHG-UHFFFAOYSA-N 0 1 236.340 3.147 20 0 BGADMN CCN(Cc1ccco1)[C@H](C)c1cccnc1 ZINC000264996957 351260393 /nfs/dbraw/zinc/26/03/93/351260393.db2.gz OGAGJIWJQNQJAB-GFCCVEGCSA-N 0 1 230.311 3.258 20 0 BGADMN CCN(Cc1ccco1)[C@@H](C)c1cccnc1 ZINC000264996959 351260448 /nfs/dbraw/zinc/26/04/48/351260448.db2.gz OGAGJIWJQNQJAB-LBPRGKRZSA-N 0 1 230.311 3.258 20 0 BGADMN CC(C)(C)C(=O)Nc1cccc(Cl)c1O ZINC000265156242 386313672 /nfs/dbraw/zinc/31/36/72/386313672.db2.gz HYSMVBYQVWQCBF-UHFFFAOYSA-N 0 1 227.691 3.030 20 0 BGADMN CCc1nc(CN(C)C(C)(C)CC)cs1 ZINC000265170399 351264206 /nfs/dbraw/zinc/26/42/06/351264206.db2.gz DOTQROLUZFGHAI-UHFFFAOYSA-N 0 1 226.389 3.326 20 0 BGADMN O=C(Nc1cccc(Cl)c1O)C1CCCC1 ZINC000265180927 182369732 /nfs/dbraw/zinc/36/97/32/182369732.db2.gz RGKLSSMBNHEGMQ-UHFFFAOYSA-N 0 1 239.702 3.174 20 0 BGADMN CC(C)CC(=O)Nc1cccc(Cl)c1O ZINC000265185708 386315772 /nfs/dbraw/zinc/31/57/72/386315772.db2.gz SLEFIPAYCDIALB-UHFFFAOYSA-N 0 1 227.691 3.030 20 0 BGADMN C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)C(C)(C)C ZINC000265232176 386318536 /nfs/dbraw/zinc/31/85/36/386318536.db2.gz OSAXNBPVORWXJF-SECBINFHSA-N 0 1 245.326 3.184 20 0 BGADMN C[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)C(C)(C)C ZINC000265232180 386317992 /nfs/dbraw/zinc/31/79/92/386317992.db2.gz OSAXNBPVORWXJF-VIFPVBQESA-N 0 1 245.326 3.184 20 0 BGADMN Cc1csc(CNC(C)(C)c2ccccc2)n1 ZINC000265332664 397932506 /nfs/dbraw/zinc/93/25/06/397932506.db2.gz MZUOLLTVDJZDMM-UHFFFAOYSA-N 0 1 246.379 3.476 20 0 BGADMN O=C(CCC1CC1)Nc1cccc(Cl)c1O ZINC000265488232 386344660 /nfs/dbraw/zinc/34/46/60/386344660.db2.gz AOLDNIDKLFKQDM-UHFFFAOYSA-N 0 1 239.702 3.174 20 0 BGADMN CCC(C)(C)N(C)Cc1csc(C)n1 ZINC000265488643 168289079 /nfs/dbraw/zinc/28/90/79/168289079.db2.gz BQFCQZORWHWEHN-UHFFFAOYSA-N 0 1 212.362 3.072 20 0 BGADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccn2C)o1 ZINC000265647960 386356835 /nfs/dbraw/zinc/35/68/35/386356835.db2.gz MAVIVAINDZIHRX-BXUZGUMPSA-N 0 1 244.338 3.031 20 0 BGADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccn2C)o1 ZINC000265647962 177351945 /nfs/dbraw/zinc/35/19/45/177351945.db2.gz MAVIVAINDZIHRX-FZMZJTMJSA-N 0 1 244.338 3.031 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccn2C)o1 ZINC000265648741 386357369 /nfs/dbraw/zinc/35/73/69/386357369.db2.gz MAVIVAINDZIHRX-RISCZKNCSA-N 0 1 244.338 3.031 20 0 BGADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccn2C)o1 ZINC000265648744 386357353 /nfs/dbraw/zinc/35/73/53/386357353.db2.gz MAVIVAINDZIHRX-SMDDNHRTSA-N 0 1 244.338 3.031 20 0 BGADMN FC(F)(F)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000265816751 386373258 /nfs/dbraw/zinc/37/32/58/386373258.db2.gz HFWCFJAHUDCJRN-JTQLQIEISA-N 0 1 232.249 3.104 20 0 BGADMN FC(F)(F)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000265816757 386373646 /nfs/dbraw/zinc/37/36/46/386373646.db2.gz HFWCFJAHUDCJRN-SNVBAGLBSA-N 0 1 232.249 3.104 20 0 BGADMN CC(C)N(CCC(F)(F)F)Cc1ccco1 ZINC000265863773 187332577 /nfs/dbraw/zinc/33/25/77/187332577.db2.gz SZHXBSKKIKZAIJ-UHFFFAOYSA-N 0 1 235.249 3.442 20 0 BGADMN Cc1nc(CN2CC[C@@H](C)C[C@H]2C)cs1 ZINC000265882926 326132681 /nfs/dbraw/zinc/13/26/81/326132681.db2.gz YXTHGZUAPJHZKG-NXEZZACHSA-N 0 1 224.373 3.072 20 0 BGADMN CSCCCN(C)Cc1ccc(F)cc1F ZINC000265984467 386389941 /nfs/dbraw/zinc/38/99/41/386389941.db2.gz GPOSPFMGAHKHFK-UHFFFAOYSA-N 0 1 245.338 3.150 20 0 BGADMN CC(C)N(Cc1ccco1)Cc1ccncc1 ZINC000265989851 386390082 /nfs/dbraw/zinc/39/00/82/386390082.db2.gz FHCNOHMBDHAVMV-UHFFFAOYSA-N 0 1 230.311 3.085 20 0 BGADMN Cc1ccoc1CN[C@@H]1CCc2c1cccc2O ZINC000266166684 388995082 /nfs/dbraw/zinc/99/50/82/388995082.db2.gz AYBMBVYKKYTCAY-CYBMUJFWSA-N 0 1 243.306 3.071 20 0 BGADMN Cc1ccoc1CN[C@H]1CCc2c1cccc2O ZINC000266166686 388995499 /nfs/dbraw/zinc/99/54/99/388995499.db2.gz AYBMBVYKKYTCAY-ZDUSSCGKSA-N 0 1 243.306 3.071 20 0 BGADMN Cc1ccoc1CNCc1ccc(C)cc1C ZINC000266169174 386253065 /nfs/dbraw/zinc/25/30/65/386253065.db2.gz BLYLLJGFCKWYGF-UHFFFAOYSA-N 0 1 229.323 3.495 20 0 BGADMN COCc1ccc(CNCc2occc2C)cc1 ZINC000266180803 388995438 /nfs/dbraw/zinc/99/54/38/388995438.db2.gz GFRBWOFVFKYECA-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN CC[C@@H](NCc1occc1C)c1ccncc1 ZINC000266185964 351283856 /nfs/dbraw/zinc/28/38/56/351283856.db2.gz XAONATJEDVKFEF-CYBMUJFWSA-N 0 1 230.311 3.224 20 0 BGADMN CC[C@H](NCc1occc1C)c1ccncc1 ZINC000266185965 386407232 /nfs/dbraw/zinc/40/72/32/386407232.db2.gz XAONATJEDVKFEF-ZDUSSCGKSA-N 0 1 230.311 3.224 20 0 BGADMN Cc1ccoc1CNC1(c2ccccc2)CC1 ZINC000266191918 386410199 /nfs/dbraw/zinc/41/01/99/386410199.db2.gz IVNICLYQLAYTKL-UHFFFAOYSA-N 0 1 227.307 3.367 20 0 BGADMN Cc1ncsc1CNC1(c2ccccc2)CC1 ZINC000266193740 180319908 /nfs/dbraw/zinc/31/99/08/180319908.db2.gz JBSUQVXRGQEUPZ-UHFFFAOYSA-N 0 1 244.363 3.230 20 0 BGADMN COc1ccc(CNCc2occc2C)cc1F ZINC000266208341 175108117 /nfs/dbraw/zinc/10/81/17/175108117.db2.gz NKNOOQQCADFOTP-UHFFFAOYSA-N 0 1 249.285 3.026 20 0 BGADMN Cc1ccoc1CNCc1ccc(C)c(F)c1 ZINC000266219519 388994208 /nfs/dbraw/zinc/99/42/08/388994208.db2.gz QPYLKNZFOHNCJH-UHFFFAOYSA-N 0 1 233.286 3.325 20 0 BGADMN Cc1ccoc1CNCc1ccc(F)c(C)c1 ZINC000266221532 178028761 /nfs/dbraw/zinc/02/87/61/178028761.db2.gz RMYCPZLPZMUCQJ-UHFFFAOYSA-N 0 1 233.286 3.325 20 0 BGADMN COc1cc(CNCc2occc2C)ccc1C ZINC000266238421 386417638 /nfs/dbraw/zinc/41/76/38/386417638.db2.gz WHKIMPGFLGIBDY-UHFFFAOYSA-N 0 1 245.322 3.195 20 0 BGADMN CCOc1ccc(CNCc2occc2C)cc1 ZINC000266241955 388995634 /nfs/dbraw/zinc/99/56/34/388995634.db2.gz XHGYNJWCUOWEIX-UHFFFAOYSA-N 0 1 245.322 3.277 20 0 BGADMN CC(C)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000266511559 167138965 /nfs/dbraw/zinc/13/89/65/167138965.db2.gz XNRXJKPSWGJICJ-LLVKDONJSA-N 0 1 230.311 3.401 20 0 BGADMN CC(C)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000266511560 167133114 /nfs/dbraw/zinc/13/31/14/167133114.db2.gz XNRXJKPSWGJICJ-NSHDSACASA-N 0 1 230.311 3.401 20 0 BGADMN Cc1cnc(CN(C)C[C@@H](C)c2ccccc2)o1 ZINC000266518911 386445861 /nfs/dbraw/zinc/44/58/61/386445861.db2.gz HPJHOBHEVQEGEB-GFCCVEGCSA-N 0 1 244.338 3.219 20 0 BGADMN Cc1cnc(CN(C)C[C@H](C)c2ccccc2)o1 ZINC000266518913 386447305 /nfs/dbraw/zinc/44/73/05/386447305.db2.gz HPJHOBHEVQEGEB-LBPRGKRZSA-N 0 1 244.338 3.219 20 0 BGADMN CCSCCN[C@](C)(CC)c1nccs1 ZINC000266757689 388996918 /nfs/dbraw/zinc/99/69/18/388996918.db2.gz SBNLUFVPKOLKGU-LLVKDONJSA-N 0 1 244.429 3.111 20 0 BGADMN CCSCCN[C@@](C)(CC)c1nccs1 ZINC000266757691 388996116 /nfs/dbraw/zinc/99/61/16/388996116.db2.gz SBNLUFVPKOLKGU-NSHDSACASA-N 0 1 244.429 3.111 20 0 BGADMN C[C@H](c1ccc(Cl)cc1)N(C)CCF ZINC000266873230 177033415 /nfs/dbraw/zinc/03/34/15/177033415.db2.gz LJAQCCBRNGBXCY-SECBINFHSA-N 0 1 215.699 3.302 20 0 BGADMN C[C@@H](c1ccc(Cl)cc1)N(C)CCF ZINC000266873231 176014685 /nfs/dbraw/zinc/01/46/85/176014685.db2.gz LJAQCCBRNGBXCY-VIFPVBQESA-N 0 1 215.699 3.302 20 0 BGADMN CN(CCF)Cc1ccc2ccccc2c1 ZINC000266897348 397939736 /nfs/dbraw/zinc/93/97/36/397939736.db2.gz VNIYTJHNLBMGBG-UHFFFAOYSA-N 0 1 217.287 3.241 20 0 BGADMN CN(Cc1ccsc1)Cc1cccs1 ZINC000266981018 397942232 /nfs/dbraw/zinc/94/22/32/397942232.db2.gz ABUNHDJUGMUQSU-UHFFFAOYSA-N 0 1 223.366 3.442 20 0 BGADMN C[C@@H]1c2ccsc2CCN1Cc1cccn1C ZINC000267001503 386486575 /nfs/dbraw/zinc/48/65/75/386486575.db2.gz CLNKZBFWUCULHG-LLVKDONJSA-N 0 1 246.379 3.206 20 0 BGADMN C[C@H]1c2ccsc2CCN1Cc1cccn1C ZINC000267001505 386486345 /nfs/dbraw/zinc/48/63/45/386486345.db2.gz CLNKZBFWUCULHG-NSHDSACASA-N 0 1 246.379 3.206 20 0 BGADMN C[C@H](c1ccccn1)N(C)Cc1ccccc1 ZINC000267020785 177043024 /nfs/dbraw/zinc/04/30/24/177043024.db2.gz BHCWDMADVCTLCC-CYBMUJFWSA-N 0 1 226.323 3.275 20 0 BGADMN C[C@@H](c1ccccn1)N(C)Cc1ccccc1 ZINC000267020787 176026748 /nfs/dbraw/zinc/02/67/48/176026748.db2.gz BHCWDMADVCTLCC-ZDUSSCGKSA-N 0 1 226.323 3.275 20 0 BGADMN Cn1cccc1[C@@H]1CCCCN1C/C=C/Cl ZINC000267067130 386492559 /nfs/dbraw/zinc/49/25/59/386492559.db2.gz VBHSMLMBIPUKOR-LJLILKBBSA-N 0 1 238.762 3.305 20 0 BGADMN Cn1cccc1[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000267067130 386492552 /nfs/dbraw/zinc/49/25/52/386492552.db2.gz VBHSMLMBIPUKOR-LJLILKBBSA-N 0 1 238.762 3.305 20 0 BGADMN Cn1cccc1[C@H]1CCCCN1C/C=C/Cl ZINC000267067133 386491723 /nfs/dbraw/zinc/49/17/23/386491723.db2.gz VBHSMLMBIPUKOR-OQHXTRMZSA-N 0 1 238.762 3.305 20 0 BGADMN Cn1cccc1[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000267067133 386491716 /nfs/dbraw/zinc/49/17/16/386491716.db2.gz VBHSMLMBIPUKOR-OQHXTRMZSA-N 0 1 238.762 3.305 20 0 BGADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccn(C)c2)o1 ZINC000267146480 386500667 /nfs/dbraw/zinc/50/06/67/386500667.db2.gz YWJXSDJJWXXRAP-BXUZGUMPSA-N 0 1 244.338 3.031 20 0 BGADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccn(C)c2)o1 ZINC000267146481 177351457 /nfs/dbraw/zinc/35/14/57/177351457.db2.gz YWJXSDJJWXXRAP-FZMZJTMJSA-N 0 1 244.338 3.031 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccn(C)c2)o1 ZINC000267146482 386501491 /nfs/dbraw/zinc/50/14/91/386501491.db2.gz YWJXSDJJWXXRAP-RISCZKNCSA-N 0 1 244.338 3.031 20 0 BGADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccn(C)c2)o1 ZINC000267146483 386499790 /nfs/dbraw/zinc/49/97/90/386499790.db2.gz YWJXSDJJWXXRAP-SMDDNHRTSA-N 0 1 244.338 3.031 20 0 BGADMN CC(C)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267152815 188373095 /nfs/dbraw/zinc/37/30/95/188373095.db2.gz CRLZDJONIPPWOA-GFCCVEGCSA-N 0 1 209.720 3.495 20 0 BGADMN CC(C)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000267152816 167028710 /nfs/dbraw/zinc/02/87/10/167028710.db2.gz CRLZDJONIPPWOA-LBPRGKRZSA-N 0 1 209.720 3.495 20 0 BGADMN CSCCN1CC[C@@H]1c1ccc(Cl)cc1 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KVZDFGGBKNJIFL-VIFPVBQESA-N 0 1 213.321 3.029 20 0 BGADMN C[C@@H](NCCF)c1cccc(C(F)(F)F)c1 ZINC000271668099 385842906 /nfs/dbraw/zinc/84/29/06/385842906.db2.gz MKUJFUFGQOFWNE-MRVPVSSYSA-N 0 1 235.224 3.326 20 0 BGADMN C[C@H](NCCF)c1cccc(C(F)(F)F)c1 ZINC000271668100 385843257 /nfs/dbraw/zinc/84/32/57/385843257.db2.gz MKUJFUFGQOFWNE-QMMMGPOBSA-N 0 1 235.224 3.326 20 0 BGADMN CC[C@@H](NCc1sccc1C)c1nccn1C ZINC000271713719 351428834 /nfs/dbraw/zinc/42/88/34/351428834.db2.gz OUQGESCYGQWFMA-LLVKDONJSA-N 0 1 249.383 3.031 20 0 BGADMN CC[C@H](NCc1sccc1C)c1nccn1C ZINC000271713721 385847530 /nfs/dbraw/zinc/84/75/30/385847530.db2.gz OUQGESCYGQWFMA-NSHDSACASA-N 0 1 249.383 3.031 20 0 BGADMN CSc1cccc(NCc2cn[nH]c2C)c1C ZINC000271718741 397970911 /nfs/dbraw/zinc/97/09/11/397970911.db2.gz WKQVEOMZCLFSOR-UHFFFAOYSA-N 0 1 247.367 3.361 20 0 BGADMN C[C@@H](NCCF)c1ccc(C(F)(F)F)cc1 ZINC000271727437 397971065 /nfs/dbraw/zinc/97/10/65/397971065.db2.gz XWXCQYJQEOWNQK-MRVPVSSYSA-N 0 1 235.224 3.326 20 0 BGADMN C[C@H](NCCF)c1ccc(C(F)(F)F)cc1 ZINC000271727442 397971163 /nfs/dbraw/zinc/97/11/63/397971163.db2.gz XWXCQYJQEOWNQK-QMMMGPOBSA-N 0 1 235.224 3.326 20 0 BGADMN COc1ccc(C)cc1[C@@H](C)NC/C=C/Cl ZINC000271735798 175078844 /nfs/dbraw/zinc/07/88/44/175078844.db2.gz ZNYCILNKQPVFJO-TZOMUSMUSA-N 0 1 239.746 3.407 20 0 BGADMN COc1ccc(C)cc1[C@H](C)NC/C=C/Cl ZINC000271735801 175081290 /nfs/dbraw/zinc/08/12/90/175081290.db2.gz ZNYCILNKQPVFJO-ZPMKCOPCSA-N 0 1 239.746 3.407 20 0 BGADMN Cc1cc(CNC(C)(C)c2cccc(C)c2)on1 ZINC000271743059 179028036 /nfs/dbraw/zinc/02/80/36/179028036.db2.gz CTFVHDCWQOIZCV-UHFFFAOYSA-N 0 1 244.338 3.316 20 0 BGADMN C[C@@H](NCCF)c1ccccc1C(F)(F)F ZINC000271744413 385848187 /nfs/dbraw/zinc/84/81/87/385848187.db2.gz QQAMQQBPRWQGOR-MRVPVSSYSA-N 0 1 235.224 3.326 20 0 BGADMN C[C@H](NCCF)c1ccccc1C(F)(F)F ZINC000271744414 385848275 /nfs/dbraw/zinc/84/82/75/385848275.db2.gz QQAMQQBPRWQGOR-QMMMGPOBSA-N 0 1 235.224 3.326 20 0 BGADMN COc1cccc(C2(NC/C=C/Cl)CC2)c1 ZINC000271744836 175247987 /nfs/dbraw/zinc/24/79/87/175247987.db2.gz XDYPYRFVSCDTAJ-FPYGCLRLSA-N 0 1 237.730 3.026 20 0 BGADMN CC[C@@H](NCc1ccc(C)s1)c1nccn1C ZINC000271749462 351432927 /nfs/dbraw/zinc/43/29/27/351432927.db2.gz XFRRGBPSHCJJMZ-GFCCVEGCSA-N 0 1 249.383 3.031 20 0 BGADMN CC[C@H](NCc1ccc(C)s1)c1nccn1C ZINC000271749468 385848206 /nfs/dbraw/zinc/84/82/06/385848206.db2.gz XFRRGBPSHCJJMZ-LBPRGKRZSA-N 0 1 249.383 3.031 20 0 BGADMN CCCC[N@@H+](Cc1cccc2nccn21)C1CC1 ZINC000271749964 385848259 /nfs/dbraw/zinc/84/82/59/385848259.db2.gz UVNBYTUWJJRDFC-UHFFFAOYSA-N 0 1 243.354 3.099 20 0 BGADMN Cc1ccccc1[C@@H](NCc1ccno1)C(C)C ZINC000271756842 179326249 /nfs/dbraw/zinc/32/62/49/179326249.db2.gz YUGKLTMBXPMHTK-HNNXBMFYSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1ccccc1[C@H](NCc1ccno1)C(C)C ZINC000271756845 179345316 /nfs/dbraw/zinc/34/53/16/179345316.db2.gz YUGKLTMBXPMHTK-OAHLLOKOSA-N 0 1 244.338 3.470 20 0 BGADMN CC[C@H](NCCF)c1ccccc1OC(F)F ZINC000271758330 397972919 /nfs/dbraw/zinc/97/29/19/397972919.db2.gz MAIBHALNFIAARK-JTQLQIEISA-N 0 1 247.260 3.298 20 0 BGADMN CC[C@@H](NCCF)c1ccccc1OC(F)F ZINC000271758331 397973278 /nfs/dbraw/zinc/97/32/78/397973278.db2.gz MAIBHALNFIAARK-SNVBAGLBSA-N 0 1 247.260 3.298 20 0 BGADMN Cc1cccc([C@@H](C)NCc2ccno2)c1C ZINC000271761923 179181999 /nfs/dbraw/zinc/18/19/99/179181999.db2.gz HZEIFNRMHZLMQS-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cccc([C@H](C)NCc2ccno2)c1C ZINC000271761924 179195915 /nfs/dbraw/zinc/19/59/15/179195915.db2.gz HZEIFNRMHZLMQS-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN Fc1ccccc1C1(NCCC(F)(F)F)CC1 ZINC000271769051 632616987 /nfs/dbraw/zinc/61/69/87/632616987.db2.gz JKXZHGUBKFHSOK-UHFFFAOYSA-N 0 1 247.235 3.357 20 0 BGADMN CCc1ccc(C(C)(C)NCc2ccno2)cc1 ZINC000271776876 397974587 /nfs/dbraw/zinc/97/45/87/397974587.db2.gz YKPVIMPZPVIRFP-UHFFFAOYSA-N 0 1 244.338 3.262 20 0 BGADMN Cc1ccccc1[C@@H](NCc1ccno1)C1CC1 ZINC000271799308 179326427 /nfs/dbraw/zinc/32/64/27/179326427.db2.gz BTPSRKSAAMKXLR-HNNXBMFYSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1ccccc1[C@H](NCc1ccno1)C1CC1 ZINC000271799310 179345435 /nfs/dbraw/zinc/34/54/35/179345435.db2.gz BTPSRKSAAMKXLR-OAHLLOKOSA-N 0 1 242.322 3.224 20 0 BGADMN CC(C)COc1ccc([C@@H](C)NCCF)cc1 ZINC000271802890 490217394 /nfs/dbraw/zinc/21/73/94/490217394.db2.gz PQYUWSYFYMPFSX-GFCCVEGCSA-N 0 1 239.334 3.342 20 0 BGADMN CC(C)COc1ccc([C@H](C)NCCF)cc1 ZINC000271802892 187237272 /nfs/dbraw/zinc/23/72/72/187237272.db2.gz PQYUWSYFYMPFSX-LBPRGKRZSA-N 0 1 239.334 3.342 20 0 BGADMN Cc1cccc(C(C)(C)NCc2ccno2)c1 ZINC000271810776 179028247 /nfs/dbraw/zinc/02/82/47/179028247.db2.gz QVHHUHPDUNCMIB-UHFFFAOYSA-N 0 1 230.311 3.008 20 0 BGADMN Cc1cccnc1CNC1(c2ccccc2)CC1 ZINC000271818388 179383165 /nfs/dbraw/zinc/38/31/65/179383165.db2.gz NFFZKYKAYNWQSJ-UHFFFAOYSA-N 0 1 238.334 3.169 20 0 BGADMN CCOc1ccccc1[C@H](C)NC/C=C/Cl ZINC000271850761 170599481 /nfs/dbraw/zinc/59/94/81/170599481.db2.gz ZSKRTKGHSVOSDQ-LAHYYIKRSA-N 0 1 239.746 3.488 20 0 BGADMN CCOc1ccccc1[C@@H](C)NC/C=C/Cl ZINC000271850762 384646583 /nfs/dbraw/zinc/64/65/83/384646583.db2.gz ZSKRTKGHSVOSDQ-OALRPVAKSA-N 0 1 239.746 3.488 20 0 BGADMN CCSCCN[C@H](C)c1c(F)cccc1F ZINC000271850925 384647098 /nfs/dbraw/zinc/64/70/98/384647098.db2.gz ZXJZRYCOYUUAMT-SECBINFHSA-N 0 1 245.338 3.369 20 0 BGADMN CCSCCN[C@@H](C)c1c(F)cccc1F ZINC000271850927 384648154 /nfs/dbraw/zinc/64/81/54/384648154.db2.gz ZXJZRYCOYUUAMT-VIFPVBQESA-N 0 1 245.338 3.369 20 0 BGADMN Cc1ccncc1CNC1(c2ccccc2)CC1 ZINC000271875306 385857171 /nfs/dbraw/zinc/85/71/71/385857171.db2.gz XMSADISTTCXCEK-UHFFFAOYSA-N 0 1 238.334 3.169 20 0 BGADMN Cl/C=C/CNC1(c2ccccc2)CC1 ZINC000271880102 389025509 /nfs/dbraw/zinc/02/55/09/389025509.db2.gz YZNAMEHEDAXJES-RUDMXATFSA-N 0 1 207.704 3.018 20 0 BGADMN C[C@@H](NC1(c2ccccc2)CC1)c1cncs1 ZINC000271952799 385863250 /nfs/dbraw/zinc/86/32/50/385863250.db2.gz FBBHHIQLNCOJQC-LLVKDONJSA-N 0 1 244.363 3.483 20 0 BGADMN C[C@H](NC1(c2ccccc2)CC1)c1cncs1 ZINC000271952800 385863357 /nfs/dbraw/zinc/86/33/57/385863357.db2.gz FBBHHIQLNCOJQC-NSHDSACASA-N 0 1 244.363 3.483 20 0 BGADMN CSc1ccc(C)c(NCc2cn[nH]c2C)c1 ZINC000271990361 188377290 /nfs/dbraw/zinc/37/72/90/188377290.db2.gz RPFBUJNPMXKSRT-UHFFFAOYSA-N 0 1 247.367 3.361 20 0 BGADMN C[C@@H](NC1(c2ccccc2)CC1)c1ccccn1 ZINC000272035925 385870148 /nfs/dbraw/zinc/87/01/48/385870148.db2.gz VAZCTSUJOOMQQZ-CYBMUJFWSA-N 0 1 238.334 3.422 20 0 BGADMN C[C@H](NC1(c2ccccc2)CC1)c1ccccn1 ZINC000272035927 385869741 /nfs/dbraw/zinc/86/97/41/385869741.db2.gz VAZCTSUJOOMQQZ-ZDUSSCGKSA-N 0 1 238.334 3.422 20 0 BGADMN COc1ccc(CN(C)CCC(F)(F)F)cc1 ZINC000272146509 385878968 /nfs/dbraw/zinc/87/89/68/385878968.db2.gz BBOCLQJGJCIICX-UHFFFAOYSA-N 0 1 247.260 3.079 20 0 BGADMN CC1=CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000272237217 168111232 /nfs/dbraw/zinc/11/12/32/168111232.db2.gz IVFIANDWCFCBKW-UHFFFAOYSA-N 0 1 247.313 3.051 20 0 BGADMN Cc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1Cl ZINC000272360125 178031780 /nfs/dbraw/zinc/03/17/80/178031780.db2.gz BRKXECBGPQQTRD-JTQLQIEISA-N 0 1 249.745 3.222 20 0 BGADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)ccc1Cl ZINC000272360130 178038414 /nfs/dbraw/zinc/03/84/14/178038414.db2.gz BRKXECBGPQQTRD-SNVBAGLBSA-N 0 1 249.745 3.222 20 0 BGADMN CC[C@H](NCc1cccn1C)c1ccccc1F ZINC000272419371 488141997 /nfs/dbraw/zinc/14/19/97/488141997.db2.gz LRKRGQXJPDZWOX-HNNXBMFYSA-N 0 1 246.329 3.405 20 0 BGADMN CC[C@@H](NCc1cccn1C)c1ccccc1F ZINC000272419374 488141872 /nfs/dbraw/zinc/14/18/72/488141872.db2.gz LRKRGQXJPDZWOX-OAHLLOKOSA-N 0 1 246.329 3.405 20 0 BGADMN COCC[C@H](NCc1ccccc1)c1ccco1 ZINC000272608217 385916836 /nfs/dbraw/zinc/91/68/36/385916836.db2.gz UDRHYCUPIDDTFT-AWEZNQCLSA-N 0 1 245.322 3.147 20 0 BGADMN COCC[C@@H](NCc1ccccc1)c1ccco1 ZINC000272608219 174393875 /nfs/dbraw/zinc/39/38/75/174393875.db2.gz UDRHYCUPIDDTFT-CQSZACIVSA-N 0 1 245.322 3.147 20 0 BGADMN CCC1(CNc2cc(C)ccn2)CCOCC1 ZINC000272699582 389033009 /nfs/dbraw/zinc/03/30/09/389033009.db2.gz RRVOUFJIBFHLNJ-UHFFFAOYSA-N 0 1 234.343 3.009 20 0 BGADMN CO[C@@H](C)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000272785875 385934964 /nfs/dbraw/zinc/93/49/64/385934964.db2.gz IKNAONIGLUNVIZ-GWCFXTLKSA-N 0 1 239.746 3.122 20 0 BGADMN CO[C@@H](C)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000272785880 385935397 /nfs/dbraw/zinc/93/53/97/385935397.db2.gz IKNAONIGLUNVIZ-GXFFZTMASA-N 0 1 239.746 3.122 20 0 BGADMN CO[C@H](C)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000272785884 385935381 /nfs/dbraw/zinc/93/53/81/385935381.db2.gz IKNAONIGLUNVIZ-MFKMUULPSA-N 0 1 239.746 3.122 20 0 BGADMN CO[C@H](C)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000272785888 385934880 /nfs/dbraw/zinc/93/48/80/385934880.db2.gz IKNAONIGLUNVIZ-ZWNOBZJWSA-N 0 1 239.746 3.122 20 0 BGADMN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000272877174 385945059 /nfs/dbraw/zinc/94/50/59/385945059.db2.gz XCRDTJVYEUXPME-NXEZZACHSA-N 0 1 245.326 3.184 20 0 BGADMN CC[C@H](C)[C@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000272877175 171385288 /nfs/dbraw/zinc/38/52/88/171385288.db2.gz XCRDTJVYEUXPME-UWVGGRQHSA-N 0 1 245.326 3.184 20 0 BGADMN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000272877176 171360967 /nfs/dbraw/zinc/36/09/67/171360967.db2.gz XCRDTJVYEUXPME-VHSXEESVSA-N 0 1 245.326 3.184 20 0 BGADMN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000272877177 385946005 /nfs/dbraw/zinc/94/60/05/385946005.db2.gz XCRDTJVYEUXPME-ZJUUUORDSA-N 0 1 245.326 3.184 20 0 BGADMN COc1ccc([C@@H](C)NCc2ccoc2)cc1C ZINC000273035667 175176807 /nfs/dbraw/zinc/17/68/07/175176807.db2.gz GMMORFSHBVRHNV-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@H](C)NCc2ccoc2)cc1C ZINC000273035668 175189046 /nfs/dbraw/zinc/18/90/46/175189046.db2.gz GMMORFSHBVRHNV-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@@H](C)NCc2ccco2)cc1C ZINC000273049861 175176712 /nfs/dbraw/zinc/17/67/12/175176712.db2.gz JMCREQOSWGZGBP-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@H](C)NCc2ccco2)cc1C ZINC000273049864 175189804 /nfs/dbraw/zinc/18/98/04/175189804.db2.gz JMCREQOSWGZGBP-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN Cc1cnc([C@@H](C)CNc2cc(C)ccn2)s1 ZINC000273181440 397993489 /nfs/dbraw/zinc/99/34/89/397993489.db2.gz BAXSRQQEPZSGCG-JTQLQIEISA-N 0 1 247.367 3.371 20 0 BGADMN Cc1cnc([C@H](C)CNc2cc(C)ccn2)s1 ZINC000273181441 397993815 /nfs/dbraw/zinc/99/38/15/397993815.db2.gz BAXSRQQEPZSGCG-SNVBAGLBSA-N 0 1 247.367 3.371 20 0 BGADMN Cc1ccnc(NCC[C@@H]2CCO[C@H](C)C2)c1 ZINC000273192000 385977013 /nfs/dbraw/zinc/97/70/13/385977013.db2.gz RJDNPZGAXFLDAR-CHWSQXEVSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1ccnc(NCC[C@H]2CCO[C@H](C)C2)c1 ZINC000273192002 385977112 /nfs/dbraw/zinc/97/71/12/385977112.db2.gz RJDNPZGAXFLDAR-OLZOCXBDSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1ccnc(NCC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273192005 385977451 /nfs/dbraw/zinc/97/74/51/385977451.db2.gz RJDNPZGAXFLDAR-QWHCGFSZSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1ccnc(NCC[C@H]2CCO[C@@H](C)C2)c1 ZINC000273192007 385977260 /nfs/dbraw/zinc/97/72/60/385977260.db2.gz RJDNPZGAXFLDAR-STQMWFEESA-N 0 1 234.343 3.007 20 0 BGADMN C[C@@H](NCCF)c1cc2ccccc2o1 ZINC000273305261 389038917 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BGADMN CCC1(C(=O)Nc2cc3cn[nH]c3cc2C)CC1 ZINC000276688151 386366047 /nfs/dbraw/zinc/36/60/47/386366047.db2.gz JBDMDNQSHLWLHT-UHFFFAOYSA-N 0 1 243.310 3.000 20 0 BGADMN C/C=C(\CC)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276693366 187851962 /nfs/dbraw/zinc/85/19/62/187851962.db2.gz JUPXLDSNCSZSLJ-ONNFQVAWSA-N 0 1 243.310 3.166 20 0 BGADMN CC[C@@H](C)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276712547 386368539 /nfs/dbraw/zinc/36/85/39/386368539.db2.gz LZTZSNPDPAMRMC-SECBINFHSA-N 0 1 245.326 3.246 20 0 BGADMN CC[C@H](C)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276712551 171262382 /nfs/dbraw/zinc/26/23/82/171262382.db2.gz LZTZSNPDPAMRMC-VIFPVBQESA-N 0 1 245.326 3.246 20 0 BGADMN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1ccon1 ZINC000276755983 168101817 /nfs/dbraw/zinc/10/18/17/168101817.db2.gz MHZJGTLMEGUKCV-GXTWGEPZSA-N 0 1 234.343 3.099 20 0 BGADMN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1ccon1 ZINC000276755984 168103396 /nfs/dbraw/zinc/10/33/96/168103396.db2.gz MHZJGTLMEGUKCV-JSGCOSHPSA-N 0 1 234.343 3.099 20 0 BGADMN 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ZINC000276806283 168341997 /nfs/dbraw/zinc/34/19/97/168341997.db2.gz SRZOSHQRJOMBGR-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN CC[C@H](C)CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000276813883 171262535 /nfs/dbraw/zinc/26/25/35/171262535.db2.gz MKCBNBRLBRLFBS-LURJTMIESA-N 0 1 245.273 3.030 20 0 BGADMN CC[C@@H](C)CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000276813885 386377236 /nfs/dbraw/zinc/37/72/36/386377236.db2.gz MKCBNBRLBRLFBS-ZCFIWIBFSA-N 0 1 245.273 3.030 20 0 BGADMN CCCCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276819730 386381143 /nfs/dbraw/zinc/38/11/43/386381143.db2.gz VAYJFAUARVXWAW-UHFFFAOYSA-N 0 1 231.299 3.000 20 0 BGADMN CCOC1CC(CCNc2cc(C)ccn2)C1 ZINC000276827692 170323273 /nfs/dbraw/zinc/32/32/73/170323273.db2.gz DUCPPJIPBZOAGL-UHFFFAOYSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)C(C)C ZINC000276860479 178277219 /nfs/dbraw/zinc/27/72/19/178277219.db2.gz ZWPGMDJWSSJOQQ-JTQLQIEISA-N 0 1 245.326 3.102 20 0 BGADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)C(C)C ZINC000276860482 178277028 /nfs/dbraw/zinc/27/70/28/178277028.db2.gz ZWPGMDJWSSJOQQ-SNVBAGLBSA-N 0 1 245.326 3.102 20 0 BGADMN CCC(=O)CCN1CCc2sccc2[C@@H]1C ZINC000276869366 168203602 /nfs/dbraw/zinc/20/36/02/168203602.db2.gz LJYKKVWHRZXMJZ-JTQLQIEISA-N 0 1 237.368 3.036 20 0 BGADMN CCC(=O)CCN1CCc2sccc2[C@H]1C ZINC000276869368 168201900 /nfs/dbraw/zinc/20/19/00/168201900.db2.gz LJYKKVWHRZXMJZ-SNVBAGLBSA-N 0 1 237.368 3.036 20 0 BGADMN CC(C)=CCCN[C@@H](C)c1cscn1 ZINC000276886477 188266721 /nfs/dbraw/zinc/26/67/21/188266721.db2.gz LNJZHTICUDOFTQ-JTQLQIEISA-N 0 1 210.346 3.150 20 0 BGADMN CC(C)=CCCN[C@H](C)c1cscn1 ZINC000276886479 188267074 /nfs/dbraw/zinc/26/70/74/188267074.db2.gz LNJZHTICUDOFTQ-SNVBAGLBSA-N 0 1 210.346 3.150 20 0 BGADMN CCc1ccc([C@@H]2CN(C(C)C)CCO2)cc1 ZINC000276890192 386386669 /nfs/dbraw/zinc/38/66/69/386386669.db2.gz YOOCUZMIIVPPDB-HNNXBMFYSA-N 0 1 233.355 3.031 20 0 BGADMN CCc1ccc([C@H]2CN(C(C)C)CCO2)cc1 ZINC000276890194 386386907 /nfs/dbraw/zinc/38/69/07/386386907.db2.gz 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C[C@@H](NC1CC(F)(F)C1)c1ccccc1F ZINC000277032472 388352371 /nfs/dbraw/zinc/35/23/71/388352371.db2.gz FINJCMVMUUNRPI-MRVPVSSYSA-N 0 1 229.245 3.274 20 0 BGADMN C[C@H](NC1CC(F)(F)C1)c1ccccc1F ZINC000277032473 388352391 /nfs/dbraw/zinc/35/23/91/388352391.db2.gz FINJCMVMUUNRPI-QMMMGPOBSA-N 0 1 229.245 3.274 20 0 BGADMN C[C@@H](NC1CC(F)(F)C1)c1ccc(F)cc1F ZINC000277050943 386402756 /nfs/dbraw/zinc/40/27/56/386402756.db2.gz HBWXIJCVROEPHU-SSDOTTSWSA-N 0 1 247.235 3.413 20 0 BGADMN C[C@H](NC1CC(F)(F)C1)c1ccc(F)cc1F ZINC000277050947 386402969 /nfs/dbraw/zinc/40/29/69/386402969.db2.gz HBWXIJCVROEPHU-ZETCQYMHSA-N 0 1 247.235 3.413 20 0 BGADMN C[C@@H](NC1CC(F)(F)C1)c1ccc(Cl)cn1 ZINC000277067696 388352314 /nfs/dbraw/zinc/35/23/14/388352314.db2.gz INUOFNUSMUZPOH-SSDOTTSWSA-N 0 1 246.688 3.183 20 0 BGADMN C[C@H](NC1CC(F)(F)C1)c1ccc(Cl)cn1 ZINC000277067699 388352515 /nfs/dbraw/zinc/35/25/15/388352515.db2.gz INUOFNUSMUZPOH-ZETCQYMHSA-N 0 1 246.688 3.183 20 0 BGADMN C[C@@H](NC1CC(F)(F)C1)c1cccc(F)c1F ZINC000277108148 386408999 /nfs/dbraw/zinc/40/89/99/386408999.db2.gz MERKSHOWBKKUTI-SSDOTTSWSA-N 0 1 247.235 3.413 20 0 BGADMN C[C@H](NC1CC(F)(F)C1)c1cccc(F)c1F ZINC000277108152 386408351 /nfs/dbraw/zinc/40/83/51/386408351.db2.gz MERKSHOWBKKUTI-ZETCQYMHSA-N 0 1 247.235 3.413 20 0 BGADMN CCc1ccc([C@@H](C)NC2CC(F)(F)C2)o1 ZINC000277117591 388352793 /nfs/dbraw/zinc/35/27/93/388352793.db2.gz NDUKRAFBODMDRV-MRVPVSSYSA-N 0 1 229.270 3.290 20 0 BGADMN CCc1ccc([C@H](C)NC2CC(F)(F)C2)o1 ZINC000277117594 388352094 /nfs/dbraw/zinc/35/20/94/388352094.db2.gz NDUKRAFBODMDRV-QMMMGPOBSA-N 0 1 229.270 3.290 20 0 BGADMN C[C@@H](NC1CC(F)(F)C1)c1cccnc1Cl ZINC000277236631 388353643 /nfs/dbraw/zinc/35/36/43/388353643.db2.gz ZKAVNOJWKYXXJN-SSDOTTSWSA-N 0 1 246.688 3.183 20 0 BGADMN C[C@H](NC1CC(F)(F)C1)c1cccnc1Cl ZINC000277236637 388353567 /nfs/dbraw/zinc/35/35/67/388353567.db2.gz ZKAVNOJWKYXXJN-ZETCQYMHSA-N 0 1 246.688 3.183 20 0 BGADMN Cc1cccc2c1CN(Cc1cncs1)CC2 ZINC000277519207 179217681 /nfs/dbraw/zinc/21/76/81/179217681.db2.gz PAVBHVMTUATXTB-UHFFFAOYSA-N 0 1 244.363 3.010 20 0 BGADMN FC1(F)CC(NCc2cc3ccccc3o2)C1 ZINC000277647815 386456232 /nfs/dbraw/zinc/45/62/32/386456232.db2.gz MKTFNBVEQOFKIH-UHFFFAOYSA-N 0 1 237.249 3.320 20 0 BGADMN Fc1cc(Cl)ccc1CNC1CC(F)(F)C1 ZINC000277720379 388354392 /nfs/dbraw/zinc/35/43/92/388354392.db2.gz SZEIDNOBBZYUBW-UHFFFAOYSA-N 0 1 249.663 3.366 20 0 BGADMN C[C@H]1C[C@H]1c1ccc(CNC2CC(F)(F)C2)o1 ZINC000277741057 188381536 /nfs/dbraw/zinc/38/15/36/188381536.db2.gz VKJRMUCDNXSTIO-GZMMTYOYSA-N 0 1 241.281 3.290 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CNC2CC(F)(F)C2)o1 ZINC000277741061 582824239 /nfs/dbraw/zinc/82/42/39/582824239.db2.gz VKJRMUCDNXSTIO-KCJUWKMLSA-N 0 1 241.281 3.290 20 0 BGADMN C[C@H]1C[C@@H]1c1ccc(CNC2CC(F)(F)C2)o1 ZINC000277741065 177351659 /nfs/dbraw/zinc/35/16/59/177351659.db2.gz VKJRMUCDNXSTIO-KWQFWETISA-N 0 1 241.281 3.290 20 0 BGADMN C[C@@H]1C[C@H]1c1ccc(CNC2CC(F)(F)C2)o1 ZINC000277741069 582824304 /nfs/dbraw/zinc/82/43/04/582824304.db2.gz VKJRMUCDNXSTIO-LDYMZIIASA-N 0 1 241.281 3.290 20 0 BGADMN Fc1ccc(Cl)cc1CNC1CC(F)(F)C1 ZINC000277756665 180972476 /nfs/dbraw/zinc/97/24/76/180972476.db2.gz WUESUZLZSGSUAG-UHFFFAOYSA-N 0 1 249.663 3.366 20 0 BGADMN Fc1c(Cl)cccc1CNC1CC(F)(F)C1 ZINC000277763559 384820510 /nfs/dbraw/zinc/82/05/10/384820510.db2.gz XMGYZNBTBXXVEH-UHFFFAOYSA-N 0 1 249.663 3.366 20 0 BGADMN FC1(F)CC(NCc2ccccc2Cl)C1 ZINC000277783500 398178056 /nfs/dbraw/zinc/17/80/56/398178056.db2.gz ZMJRDCZEVWOURU-UHFFFAOYSA-N 0 1 231.673 3.227 20 0 BGADMN Cc1ccc(F)c(CNC2CC(F)(F)C2)c1 ZINC000277785747 398178597 /nfs/dbraw/zinc/17/85/97/398178597.db2.gz ZRCSMKVWVYYQED-UHFFFAOYSA-N 0 1 229.245 3.021 20 0 BGADMN FC(F)(F)C[C@H]1CCN(Cc2ccco2)C1 ZINC000278118165 386491365 /nfs/dbraw/zinc/49/13/65/386491365.db2.gz AQJMVESUPAFUNO-SECBINFHSA-N 0 1 233.233 3.054 20 0 BGADMN FC(F)(F)C[C@@H]1CCN(Cc2ccco2)C1 ZINC000278118167 386491696 /nfs/dbraw/zinc/49/16/96/386491696.db2.gz AQJMVESUPAFUNO-VIFPVBQESA-N 0 1 233.233 3.054 20 0 BGADMN Cn1ccc(CNCc2sccc2Cl)c1 ZINC000278344124 388355455 /nfs/dbraw/zinc/35/54/55/388355455.db2.gz HDNZJRANSCNVLC-UHFFFAOYSA-N 0 1 240.759 3.030 20 0 BGADMN COC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000278374598 174028274 /nfs/dbraw/zinc/02/82/74/174028274.db2.gz CCUZCKQHYVWLRX-UHFFFAOYSA-N 0 1 245.775 3.012 20 0 BGADMN Cc1nc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000278415086 188381760 /nfs/dbraw/zinc/38/17/60/188381760.db2.gz HPTUYTWMIAGQJR-TZMCWYRMSA-N 0 1 248.345 3.294 20 0 BGADMN Cc1nc(F)ccc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000278440291 187341218 /nfs/dbraw/zinc/34/12/18/187341218.db2.gz LKHYZZALQDOWCX-LLVKDONJSA-N 0 1 248.345 3.292 20 0 BGADMN Cc1nc(F)ccc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000278440292 187340732 /nfs/dbraw/zinc/34/07/32/187340732.db2.gz LKHYZZALQDOWCX-NSHDSACASA-N 0 1 248.345 3.292 20 0 BGADMN COC1CCN(Cc2sccc2Cl)CC1 ZINC000278454793 174030945 /nfs/dbraw/zinc/03/09/45/174030945.db2.gz NVFQIZYTVAFQFJ-UHFFFAOYSA-N 0 1 245.775 3.012 20 0 BGADMN Cc1nc(F)ccc1C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000278455759 187340499 /nfs/dbraw/zinc/34/04/99/187340499.db2.gz OADAHMOHKSZKRB-JTQLQIEISA-N 0 1 236.334 3.150 20 0 BGADMN Cc1nc(F)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000278458995 187340935 /nfs/dbraw/zinc/34/09/35/187340935.db2.gz OOJPYCJFQBOLOJ-AWEZNQCLSA-N 0 1 248.345 3.294 20 0 BGADMN Cc1cccc(CN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278502574 179076016 /nfs/dbraw/zinc/07/60/16/179076016.db2.gz ALRHZUZCEFJXKO-HNNXBMFYSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1cccc(CN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278502575 179077878 /nfs/dbraw/zinc/07/78/78/179077878.db2.gz ALRHZUZCEFJXKO-OAHLLOKOSA-N 0 1 241.338 3.055 20 0 BGADMN CC(C)(C)NCc1ncc(C(F)(F)F)s1 ZINC000278545171 166637397 /nfs/dbraw/zinc/63/73/97/166637397.db2.gz AOVCFMDPFLGJIV-UHFFFAOYSA-N 0 1 238.278 3.050 20 0 BGADMN Clc1ccsc1CN1CCCSCC1 ZINC000278666382 386564468 /nfs/dbraw/zinc/56/44/68/386564468.db2.gz MYRQNDUSOXSRJF-UHFFFAOYSA-N 0 1 247.816 3.340 20 0 BGADMN Cc1ccccc1CN1CCC[C@H]1c1cc[nH]n1 ZINC000278725158 179273102 /nfs/dbraw/zinc/27/31/02/179273102.db2.gz VLDWSALSEBBNRK-HNNXBMFYSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1ccccc1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000278725161 179274629 /nfs/dbraw/zinc/27/46/29/179274629.db2.gz VLDWSALSEBBNRK-OAHLLOKOSA-N 0 1 241.338 3.055 20 0 BGADMN CCCCNCc1ncc(C(F)(F)F)s1 ZINC000278772085 384193972 /nfs/dbraw/zinc/19/39/72/384193972.db2.gz YKDJHZSLYCZGAU-UHFFFAOYSA-N 0 1 238.278 3.052 20 0 BGADMN Clc1csc(CN2CCCSCC2)c1 ZINC000278826830 386592962 /nfs/dbraw/zinc/59/29/62/386592962.db2.gz YKWSUYSXPXSJLZ-UHFFFAOYSA-N 0 1 247.816 3.340 20 0 BGADMN FC1(F)CC(NCc2sccc2Cl)C1 ZINC000278849749 386597781 /nfs/dbraw/zinc/59/77/81/386597781.db2.gz WUGBCYSQCMRSGF-UHFFFAOYSA-N 0 1 237.702 3.289 20 0 BGADMN Cc1cc(CN(C)C[C@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000278932366 168123312 /nfs/dbraw/zinc/12/33/12/168123312.db2.gz LIJKKDDKTRPJFL-BXUZGUMPSA-N 0 1 248.370 3.407 20 0 BGADMN Cc1cc(CN(C)C[C@@H]2CC(C)=C[C@H](C)C2)no1 ZINC000278932369 168129853 /nfs/dbraw/zinc/12/98/53/168129853.db2.gz LIJKKDDKTRPJFL-FZMZJTMJSA-N 0 1 248.370 3.407 20 0 BGADMN Cc1cc(CN(C)C[C@@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000278932371 168124916 /nfs/dbraw/zinc/12/49/16/168124916.db2.gz LIJKKDDKTRPJFL-RISCZKNCSA-N 0 1 248.370 3.407 20 0 BGADMN Cc1cc(C[N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000278932371 168124913 /nfs/dbraw/zinc/12/49/13/168124913.db2.gz LIJKKDDKTRPJFL-RISCZKNCSA-N 0 1 248.370 3.407 20 0 BGADMN Cc1cc(CN(C)C[C@H]2CC(C)=C[C@H](C)C2)no1 ZINC000278932373 168127175 /nfs/dbraw/zinc/12/71/75/168127175.db2.gz LIJKKDDKTRPJFL-SMDDNHRTSA-N 0 1 248.370 3.407 20 0 BGADMN CC(C)=CCNCc1ncc(C(C)(C)C)s1 ZINC000279083585 188203980 /nfs/dbraw/zinc/20/39/80/188203980.db2.gz HJJRTYWRCLAYKL-UHFFFAOYSA-N 0 1 238.400 3.496 20 0 BGADMN Cc1nc(F)ccc1CN(C)Cc1ccccc1 ZINC000279533437 386693026 /nfs/dbraw/zinc/69/30/26/386693026.db2.gz PLEGWPOIYFMWCB-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CC[C@H]1CCCC[N@H+]1Cc1ccc(F)nc1C ZINC000279606551 386705215 /nfs/dbraw/zinc/70/52/15/386705215.db2.gz WVSZMKKDHYHVSG-ZDUSSCGKSA-N 0 1 236.334 3.294 20 0 BGADMN Cc1cc([C@@H](C)NCCc2ccccc2F)no1 ZINC000279706660 178224146 /nfs/dbraw/zinc/22/41/46/178224146.db2.gz XCTRIDLAJHIVDA-LLVKDONJSA-N 0 1 248.301 3.015 20 0 BGADMN Cc1cc([C@H](C)NCCc2ccccc2F)no1 ZINC000279706661 178248370 /nfs/dbraw/zinc/24/83/70/178248370.db2.gz XCTRIDLAJHIVDA-NSHDSACASA-N 0 1 248.301 3.015 20 0 BGADMN CCC(CC)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000279789484 168339672 /nfs/dbraw/zinc/33/96/72/168339672.db2.gz IIUILXZDGOFYKV-UHFFFAOYSA-N 0 1 245.273 3.030 20 0 BGADMN Cc1cccc(CNCc2ccnn2C(C)C)c1 ZINC000279821323 179096706 /nfs/dbraw/zinc/09/67/06/179096706.db2.gz GHYUQXVNZVNZEN-UHFFFAOYSA-N 0 1 243.354 3.062 20 0 BGADMN Cc1ccc(CNCc2ccnn2C(C)C)s1 ZINC000279864065 385218268 /nfs/dbraw/zinc/21/82/68/385218268.db2.gz JDVGNSMEIHDXPU-UHFFFAOYSA-N 0 1 249.383 3.124 20 0 BGADMN Cc1ccccc1CNCc1ccnn1C(C)C ZINC000279914276 179282903 /nfs/dbraw/zinc/28/29/03/179282903.db2.gz MEEHQWKGSWSZOO-UHFFFAOYSA-N 0 1 243.354 3.062 20 0 BGADMN Cc1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000279949385 178615794 /nfs/dbraw/zinc/61/57/94/178615794.db2.gz OIHHVKCIWORXPD-UHFFFAOYSA-N 0 1 243.354 3.062 20 0 BGADMN CC1=C(C)CN(Cc2cnn(C(C)C)c2)CC1 ZINC000280178919 168084053 /nfs/dbraw/zinc/08/40/53/168084053.db2.gz AAPATTWQOWEKEO-UHFFFAOYSA-N 0 1 233.359 3.006 20 0 BGADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cncc(F)c1 ZINC000280212115 177081086 /nfs/dbraw/zinc/08/10/86/177081086.db2.gz KEOQDIAFRDSLCL-FZMZJTMJSA-N 0 1 236.334 3.231 20 0 BGADMN c1coc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000280215797 386789336 /nfs/dbraw/zinc/78/93/36/386789336.db2.gz FXZUVVPXTTUQJN-HNNXBMFYSA-N 0 1 242.322 3.306 20 0 BGADMN c1coc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280215802 386791992 /nfs/dbraw/zinc/79/19/92/386791992.db2.gz FXZUVVPXTTUQJN-OAHLLOKOSA-N 0 1 242.322 3.306 20 0 BGADMN CCN(Cc1cnc[nH]1)Cc1ccc(Cl)cc1 ZINC000280355883 351840802 /nfs/dbraw/zinc/84/08/02/351840802.db2.gz CKIIOOPTFDAYII-UHFFFAOYSA-N 0 1 249.745 3.085 20 0 BGADMN Cc1ccc([C@@H](C)N(C)Cc2c[nH]cn2)c(C)c1 ZINC000280414515 386811390 /nfs/dbraw/zinc/81/13/90/386811390.db2.gz IGJQKRXMEWYNCR-CYBMUJFWSA-N 0 1 243.354 3.220 20 0 BGADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnc[nH]2)c(C)c1 ZINC000280414515 386811384 /nfs/dbraw/zinc/81/13/84/386811384.db2.gz IGJQKRXMEWYNCR-CYBMUJFWSA-N 0 1 243.354 3.220 20 0 BGADMN Cc1ccc([C@H](C)N(C)Cc2c[nH]cn2)c(C)c1 ZINC000280414518 386810613 /nfs/dbraw/zinc/81/06/13/386810613.db2.gz IGJQKRXMEWYNCR-ZDUSSCGKSA-N 0 1 243.354 3.220 20 0 BGADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2cnc[nH]2)c(C)c1 ZINC000280414518 386810608 /nfs/dbraw/zinc/81/06/08/386810608.db2.gz IGJQKRXMEWYNCR-ZDUSSCGKSA-N 0 1 243.354 3.220 20 0 BGADMN CC[C@@H](c1ccccc1)N(CC)Cc1c[nH]cn1 ZINC000280580609 351851557 /nfs/dbraw/zinc/85/15/57/351851557.db2.gz WUIAOWNRYAFAEW-HNNXBMFYSA-N 0 1 243.354 3.383 20 0 BGADMN CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cnc[nH]1 ZINC000280580609 351851550 /nfs/dbraw/zinc/85/15/50/351851550.db2.gz WUIAOWNRYAFAEW-HNNXBMFYSA-N 0 1 243.354 3.383 20 0 BGADMN CC[C@H](c1ccccc1)N(CC)Cc1c[nH]cn1 ZINC000280580611 386825832 /nfs/dbraw/zinc/82/58/32/386825832.db2.gz WUIAOWNRYAFAEW-OAHLLOKOSA-N 0 1 243.354 3.383 20 0 BGADMN CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cnc[nH]1 ZINC000280580611 386825816 /nfs/dbraw/zinc/82/58/16/386825816.db2.gz WUIAOWNRYAFAEW-OAHLLOKOSA-N 0 1 243.354 3.383 20 0 BGADMN CC(C)(C)c1ccc(CNCCF)s1 ZINC000280615021 385341700 /nfs/dbraw/zinc/34/17/00/385341700.db2.gz DYDYZODHMPUNQC-UHFFFAOYSA-N 0 1 215.337 3.105 20 0 BGADMN CCc1oc2ccccc2c1CNCCF ZINC000280618567 172112882 /nfs/dbraw/zinc/11/28/82/172112882.db2.gz FJNZYKHWWFOGBT-UHFFFAOYSA-N 0 1 221.275 3.054 20 0 BGADMN FCCNCc1ccc(SC(F)F)cc1 ZINC000280621542 385343541 /nfs/dbraw/zinc/34/35/41/385343541.db2.gz FVASHFSNYYTGHT-UHFFFAOYSA-N 0 1 235.274 3.060 20 0 BGADMN FCCNCc1cccc(OC2CCCC2)c1 ZINC000280657773 386832049 /nfs/dbraw/zinc/83/20/49/386832049.db2.gz KTTDPVPRSXKMPS-UHFFFAOYSA-N 0 1 237.318 3.067 20 0 BGADMN c1nc(CN[C@@H]2C[C@@H](c3ccccc3)C2)cs1 ZINC000280692600 386837671 /nfs/dbraw/zinc/83/76/71/386837671.db2.gz RRPYDMJGQISEIM-JOCQHMNTSA-N 0 1 244.363 3.179 20 0 BGADMN Cc1cc(NCCF)c2cc(F)ccc2n1 ZINC000280740014 178159750 /nfs/dbraw/zinc/15/97/50/178159750.db2.gz LBEMACAFQPUMNA-UHFFFAOYSA-N 0 1 222.238 3.064 20 0 BGADMN FCCNCc1cc(Cl)cc(Cl)c1 ZINC000280794454 180933442 /nfs/dbraw/zinc/93/34/42/180933442.db2.gz RJNCQUHHHVAPME-UHFFFAOYSA-N 0 1 222.090 3.053 20 0 BGADMN FCCNCc1ccc(Cl)c(Cl)c1 ZINC000280844795 397750855 /nfs/dbraw/zinc/75/08/55/397750855.db2.gz YVUULOIBCODISU-UHFFFAOYSA-N 0 1 222.090 3.053 20 0 BGADMN CC1=C(C)CN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000280873455 168086072 /nfs/dbraw/zinc/08/60/72/168086072.db2.gz NVQQMPOXJLQCGW-UHFFFAOYSA-N 0 1 247.386 3.180 20 0 BGADMN CCC[C@H](NCCF)c1ccsc1 ZINC000280881389 385379926 /nfs/dbraw/zinc/37/99/26/385379926.db2.gz AWSOMUIXYSZXAW-JTQLQIEISA-N 0 1 201.310 3.148 20 0 BGADMN CCC[C@@H](NCCF)c1ccsc1 ZINC000280881392 385379863 /nfs/dbraw/zinc/37/98/63/385379863.db2.gz AWSOMUIXYSZXAW-SNVBAGLBSA-N 0 1 201.310 3.148 20 0 BGADMN Cc1ccc(CNc2nccn2CC(C)C)o1 ZINC000280901638 385617044 /nfs/dbraw/zinc/61/70/44/385617044.db2.gz DWKWGPFOJNYANP-UHFFFAOYSA-N 0 1 233.315 3.053 20 0 BGADMN CC1=C(C)CN(Cc2ccnn2C(C)C)CC1 ZINC000280912541 168084140 /nfs/dbraw/zinc/08/41/40/168084140.db2.gz QMWOLQBBDNPIFT-UHFFFAOYSA-N 0 1 233.359 3.006 20 0 BGADMN CSc1ccc([C@@H](C)NCCF)cc1F ZINC000280925907 188095749 /nfs/dbraw/zinc/09/57/49/188095749.db2.gz DYKOYGRXALLPNO-MRVPVSSYSA-N 0 1 231.311 3.168 20 0 BGADMN CSc1ccc([C@H](C)NCCF)cc1F ZINC000280925911 385384296 /nfs/dbraw/zinc/38/42/96/385384296.db2.gz DYKOYGRXALLPNO-QMMMGPOBSA-N 0 1 231.311 3.168 20 0 BGADMN c1cc(CN[C@H](c2cccnc2)C2CCC2)co1 ZINC000280925951 385620129 /nfs/dbraw/zinc/62/01/29/385620129.db2.gz RLBDTRNQRVYOOS-HNNXBMFYSA-N 0 1 242.322 3.306 20 0 BGADMN c1cc(CN[C@@H](c2cccnc2)C2CCC2)co1 ZINC000280925955 385620358 /nfs/dbraw/zinc/62/03/58/385620358.db2.gz RLBDTRNQRVYOOS-OAHLLOKOSA-N 0 1 242.322 3.306 20 0 BGADMN COc1cc([C@@H](C)NCCF)ccc1SC ZINC000280944511 175014396 /nfs/dbraw/zinc/01/43/96/175014396.db2.gz GMSKNLQCWMTQMO-SECBINFHSA-N 0 1 243.347 3.037 20 0 BGADMN COc1cc([C@H](C)NCCF)ccc1SC ZINC000280946449 175015855 /nfs/dbraw/zinc/01/58/55/175015855.db2.gz GMSKNLQCWMTQMO-VIFPVBQESA-N 0 1 243.347 3.037 20 0 BGADMN CCc1ncc(CN2CCC(C)=C(C)C2)s1 ZINC000280958323 172017981 /nfs/dbraw/zinc/01/79/81/172017981.db2.gz UOJKPRFKQZPYEC-UHFFFAOYSA-N 0 1 236.384 3.248 20 0 BGADMN Cc1cc2c(cc1C)[C@H](NCCF)CCS2 ZINC000280973202 178287765 /nfs/dbraw/zinc/28/77/65/178287765.db2.gz INFRIJQHUPSYBL-GFCCVEGCSA-N 0 1 239.359 3.399 20 0 BGADMN Cc1cc2c(cc1C)[C@@H](NCCF)CCS2 ZINC000280973212 178286111 /nfs/dbraw/zinc/28/61/11/178286111.db2.gz INFRIJQHUPSYBL-LBPRGKRZSA-N 0 1 239.359 3.399 20 0 BGADMN Cc1nc(F)ccc1CN1CCC(C)=C(C)C1 ZINC000280976950 168083788 /nfs/dbraw/zinc/08/37/88/168083788.db2.gz VVCVDIMUUKVURB-UHFFFAOYSA-N 0 1 234.318 3.071 20 0 BGADMN Cc1cc(C)c2c(c1)[C@H](NCCF)CCCO2 ZINC000281010568 188383601 /nfs/dbraw/zinc/38/36/01/188383601.db2.gz LLBYDMMPMLUXNM-CYBMUJFWSA-N 0 1 237.318 3.076 20 0 BGADMN Cc1cc(C)c2c(c1)[C@@H](NCCF)CCCO2 ZINC000281010570 385628286 /nfs/dbraw/zinc/62/82/86/385628286.db2.gz LLBYDMMPMLUXNM-ZDUSSCGKSA-N 0 1 237.318 3.076 20 0 BGADMN CCCOc1ccc([C@@H](C)NCCF)cc1 ZINC000281037389 169321117 /nfs/dbraw/zinc/32/11/17/169321117.db2.gz NNXQYTWLKLAEKN-LLVKDONJSA-N 0 1 225.307 3.096 20 0 BGADMN CCCOc1ccc([C@H](C)NCCF)cc1 ZINC000281037392 169321820 /nfs/dbraw/zinc/32/18/20/169321820.db2.gz NNXQYTWLKLAEKN-NSHDSACASA-N 0 1 225.307 3.096 20 0 BGADMN CC(C)n1nccc1CN[C@H](C)c1ccccc1 ZINC000281047693 385389642 /nfs/dbraw/zinc/38/96/42/385389642.db2.gz ZYGVYWIGZHTSGX-CYBMUJFWSA-N 0 1 243.354 3.315 20 0 BGADMN CC(C)n1nccc1CN[C@@H](C)c1ccccc1 ZINC000281047696 385389779 /nfs/dbraw/zinc/38/97/79/385389779.db2.gz ZYGVYWIGZHTSGX-ZDUSSCGKSA-N 0 1 243.354 3.315 20 0 BGADMN C[C@H]1C[C@H](NCCF)c2ccsc2S1 ZINC000281086070 177369511 /nfs/dbraw/zinc/36/95/11/177369511.db2.gz PQMSWXBWKNBKEC-CBAPKCEASA-N 0 1 231.361 3.233 20 0 BGADMN C[C@H]1C[C@@H](NCCF)c2ccsc2S1 ZINC000281086073 177332126 /nfs/dbraw/zinc/33/21/26/177332126.db2.gz PQMSWXBWKNBKEC-IONNQARKSA-N 0 1 231.361 3.233 20 0 BGADMN CC[C@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000281131342 171342146 /nfs/dbraw/zinc/34/21/46/171342146.db2.gz NJYYULHHWQKSTQ-LURJTMIESA-N 0 1 235.224 3.131 20 0 BGADMN CC[C@@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000281131346 385402877 /nfs/dbraw/zinc/40/28/77/385402877.db2.gz NJYYULHHWQKSTQ-ZCFIWIBFSA-N 0 1 235.224 3.131 20 0 BGADMN FCCN[C@H]1CCSc2ccc(Cl)cc21 ZINC000281131584 387573101 /nfs/dbraw/zinc/57/31/01/387573101.db2.gz TUXMOEHTDDKBIC-JTQLQIEISA-N 0 1 245.750 3.436 20 0 BGADMN FCCN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000281131589 385400444 /nfs/dbraw/zinc/40/04/44/385400444.db2.gz TUXMOEHTDDKBIC-SNVBAGLBSA-N 0 1 245.750 3.436 20 0 BGADMN Cc1nc(C(C)C)sc1[C@@H](C)NCCF ZINC000281137371 385401201 /nfs/dbraw/zinc/40/12/01/385401201.db2.gz UIWKSDIIRLYQIE-MRVPVSSYSA-N 0 1 230.352 3.195 20 0 BGADMN Cc1nc(C(C)C)sc1[C@H](C)NCCF ZINC000281137372 385400377 /nfs/dbraw/zinc/40/03/77/385400377.db2.gz UIWKSDIIRLYQIE-QMMMGPOBSA-N 0 1 230.352 3.195 20 0 BGADMN Cc1ccc2nc(-c3ccnn3C(C)C)[nH]c2c1 ZINC000281159305 187343293 /nfs/dbraw/zinc/34/32/93/187343293.db2.gz PAFVHGVGJBTHIM-UHFFFAOYSA-N 0 1 240.310 3.316 20 0 BGADMN CC[C@@H](NCCF)c1cc(C)ccc1OC ZINC000281164003 385405319 /nfs/dbraw/zinc/40/53/19/385405319.db2.gz VYTHMFXYFWCNOF-GFCCVEGCSA-N 0 1 225.307 3.014 20 0 BGADMN CC[C@H](NCCF)c1cc(C)ccc1OC ZINC000281164006 385405364 /nfs/dbraw/zinc/40/53/64/385405364.db2.gz VYTHMFXYFWCNOF-LBPRGKRZSA-N 0 1 225.307 3.014 20 0 BGADMN C[C@H](NCCF)c1csc(Cl)c1 ZINC000281213122 385414553 /nfs/dbraw/zinc/41/45/53/385414553.db2.gz YZPMIHGKCXAKLB-LURJTMIESA-N 0 1 207.701 3.022 20 0 BGADMN C[C@@H](NCCF)c1csc(Cl)c1 ZINC000281213123 385414411 /nfs/dbraw/zinc/41/44/11/385414411.db2.gz YZPMIHGKCXAKLB-ZCFIWIBFSA-N 0 1 207.701 3.022 20 0 BGADMN FCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000281227452 385416998 /nfs/dbraw/zinc/41/69/98/385416998.db2.gz ZYUOLVUNEXUURV-LLVKDONJSA-N 0 1 243.709 3.113 20 0 BGADMN FCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000281227454 385416152 /nfs/dbraw/zinc/41/61/52/385416152.db2.gz ZYUOLVUNEXUURV-NSHDSACASA-N 0 1 243.709 3.113 20 0 BGADMN CSCCCN(C)Cc1cc(F)ccc1F ZINC000281237475 385647837 /nfs/dbraw/zinc/64/78/37/385647837.db2.gz LNURUGJDZOJABM-UHFFFAOYSA-N 0 1 245.338 3.150 20 0 BGADMN Cc1nn(C(C)C)cc1CNCc1ccsc1 ZINC000281362195 188032308 /nfs/dbraw/zinc/03/23/08/188032308.db2.gz NJIBSQCBIDAXQO-UHFFFAOYSA-N 0 1 249.383 3.124 20 0 BGADMN Cc1nn(C(C)C)cc1CNCc1cccs1 ZINC000281370441 187342915 /nfs/dbraw/zinc/34/29/15/187342915.db2.gz NSDXKTNTOJIBMU-UHFFFAOYSA-N 0 1 249.383 3.124 20 0 BGADMN Fc1cncc([C@@H](NCc2ccoc2)C2CC2)c1 ZINC000281376265 181021103 /nfs/dbraw/zinc/02/11/03/181021103.db2.gz XAAZJNSOVPBHHX-AWEZNQCLSA-N 0 1 246.285 3.055 20 0 BGADMN Fc1cncc([C@H](NCc2ccoc2)C2CC2)c1 ZINC000281376269 181020913 /nfs/dbraw/zinc/02/09/13/181020913.db2.gz 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20 0 BGADMN Cc1cc([C@H](C)NCc2ccc(C)nc2)oc1C ZINC000282101807 385731806 /nfs/dbraw/zinc/73/18/06/385731806.db2.gz IRQIUOQNWYYSQV-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc([C@@H](C)NCc2ccn(C)c2)oc1C ZINC000282360598 178229867 /nfs/dbraw/zinc/22/98/67/178229867.db2.gz WCJUANILFGTJEJ-LLVKDONJSA-N 0 1 232.327 3.086 20 0 BGADMN Cc1cc([C@H](C)NCc2ccn(C)c2)oc1C ZINC000282360600 178251769 /nfs/dbraw/zinc/25/17/69/178251769.db2.gz WCJUANILFGTJEJ-NSHDSACASA-N 0 1 232.327 3.086 20 0 BGADMN Cc1cc([C@H](C)NCCSC(C)(C)C)no1 ZINC000282704009 178249299 /nfs/dbraw/zinc/24/92/99/178249299.db2.gz BAXFQSRGMHLULH-JTQLQIEISA-N 0 1 242.388 3.165 20 0 BGADMN Cc1cc([C@@H](C)NCCSC(C)(C)C)no1 ZINC000282704010 178224830 /nfs/dbraw/zinc/22/48/30/178224830.db2.gz BAXFQSRGMHLULH-SNVBAGLBSA-N 0 1 242.388 3.165 20 0 BGADMN CCCCCCN[C@H](C)c1cc(C)on1 ZINC000282747886 385970129 /nfs/dbraw/zinc/97/01/29/385970129.db2.gz NNTBJVQMWIBBBZ-LLVKDONJSA-N 0 1 210.321 3.214 20 0 BGADMN CCCCCCN[C@@H](C)c1cc(C)on1 ZINC000282747889 385972071 /nfs/dbraw/zinc/97/20/71/385972071.db2.gz NNTBJVQMWIBBBZ-NSHDSACASA-N 0 1 210.321 3.214 20 0 BGADMN Cc1cc([C@@H](C)NCCc2ccc(C)cc2)no1 ZINC000282772243 385785857 /nfs/dbraw/zinc/78/58/57/385785857.db2.gz OZNAZQIZCNMWBP-CYBMUJFWSA-N 0 1 244.338 3.185 20 0 BGADMN Cc1cc([C@H](C)NCCc2ccc(C)cc2)no1 ZINC000282772247 385784700 /nfs/dbraw/zinc/78/47/00/385784700.db2.gz OZNAZQIZCNMWBP-ZDUSSCGKSA-N 0 1 244.338 3.185 20 0 BGADMN CC(C)COCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000282783235 188033346 /nfs/dbraw/zinc/03/33/46/188033346.db2.gz VXDIRSGKEHLOCH-GFCCVEGCSA-N 0 1 241.400 3.414 20 0 BGADMN Cc1cc([C@@H](C)NCCCc2ccccc2)no1 ZINC000282791622 178225512 /nfs/dbraw/zinc/22/55/12/178225512.db2.gz QFBUXEFLQJQITA-CYBMUJFWSA-N 0 1 244.338 3.266 20 0 BGADMN Cc1cc([C@H](C)NCCCc2ccccc2)no1 ZINC000282791624 178246823 /nfs/dbraw/zinc/24/68/23/178246823.db2.gz QFBUXEFLQJQITA-ZDUSSCGKSA-N 0 1 244.338 3.266 20 0 BGADMN Cc1cc([C@@H](C)NCCCC(C)C)no1 ZINC000282887331 178224541 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BGADMN Cc1cn[nH]c1CNc1cccc(Cl)c1C ZINC000289411598 177678168 /nfs/dbraw/zinc/67/81/68/177678168.db2.gz BNHFZHNBDCSLAD-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN CSc1ccc(C)c(NCc2[nH]ncc2C)c1 ZINC000289420384 188388942 /nfs/dbraw/zinc/38/89/42/188388942.db2.gz CMJLEKXKTFGGCS-UHFFFAOYSA-N 0 1 247.367 3.361 20 0 BGADMN CCCN(Cc1csc(Cl)n1)CC1CC1 ZINC000289430965 169181278 /nfs/dbraw/zinc/18/12/78/169181278.db2.gz VPWCHDZJCAOQDA-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN CCCOc1ccc(NCc2[nH]ncc2C)cc1 ZINC000289438830 169319843 /nfs/dbraw/zinc/31/98/43/169319843.db2.gz FSTFCHZDKVFNBH-UHFFFAOYSA-N 0 1 245.326 3.119 20 0 BGADMN CCC(CC)N(CC)Cc1nccn1C(F)F ZINC000289440845 168373217 /nfs/dbraw/zinc/37/32/17/168373217.db2.gz OKOSTTXHRIILLW-UHFFFAOYSA-N 0 1 245.317 3.289 20 0 BGADMN Cc1c[nH]nc1CNC(C)(C)c1cccc(C)c1 ZINC000289441474 179028168 /nfs/dbraw/zinc/02/81/68/179028168.db2.gz FXXACVUMEGOKRN-UHFFFAOYSA-N 0 1 243.354 3.051 20 0 BGADMN Cc1c[nH]nc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000289443010 386306506 /nfs/dbraw/zinc/30/65/06/386306506.db2.gz GEGWVDSIWIPPGC-CYBMUJFWSA-N 0 1 243.354 3.186 20 0 BGADMN Cc1c[nH]nc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000289443012 386306974 /nfs/dbraw/zinc/30/69/74/386306974.db2.gz GEGWVDSIWIPPGC-ZDUSSCGKSA-N 0 1 243.354 3.186 20 0 BGADMN Cc1c[nH]nc1CN[C@H](C)c1cccc(C)c1C ZINC000289445495 386307064 /nfs/dbraw/zinc/30/70/64/386307064.db2.gz GKPPNOGCWRRUPT-CYBMUJFWSA-N 0 1 243.354 3.186 20 0 BGADMN Cc1c[nH]nc1CN[C@@H](C)c1cccc(C)c1C ZINC000289445499 386307888 /nfs/dbraw/zinc/30/78/88/386307888.db2.gz GKPPNOGCWRRUPT-ZDUSSCGKSA-N 0 1 243.354 3.186 20 0 BGADMN CCCOc1ccccc1NCc1[nH]ncc1C ZINC000289447234 169327503 /nfs/dbraw/zinc/32/75/03/169327503.db2.gz GQOIWISOPHYISJ-UHFFFAOYSA-N 0 1 245.326 3.119 20 0 BGADMN CCOc1cc(C)ccc1NCc1[nH]ncc1C ZINC000289456087 386307838 /nfs/dbraw/zinc/30/78/38/386307838.db2.gz HMZIERJTAXAOOX-UHFFFAOYSA-N 0 1 245.326 3.037 20 0 BGADMN Cc1cn[nH]c1CNc1ccccc1OC(C)C ZINC000289479065 386312691 /nfs/dbraw/zinc/31/26/91/386312691.db2.gz JVXXSPNXZLGNLB-UHFFFAOYSA-N 0 1 245.326 3.117 20 0 BGADMN CCSc1cccc(NCc2[nH]ncc2C)c1 ZINC000289499774 386317758 /nfs/dbraw/zinc/31/77/58/386317758.db2.gz LVRDNQCMCAGIOL-UHFFFAOYSA-N 0 1 247.367 3.442 20 0 BGADMN CSc1ccccc1NCc1[nH]ncc1C ZINC000289505350 384436920 /nfs/dbraw/zinc/43/69/20/384436920.db2.gz MKRDHNRDQDIYEQ-UHFFFAOYSA-N 0 1 233.340 3.052 20 0 BGADMN Cc1cn[nH]c1CNc1cccc(C)c1Cl ZINC000289505364 384437210 /nfs/dbraw/zinc/43/72/10/384437210.db2.gz MLMFQWMMGIQARH-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN CSc1cccc(NCc2[nH]ncc2C)c1C ZINC000289508147 386320938 /nfs/dbraw/zinc/32/09/38/386320938.db2.gz MURGXNPWMBIULB-UHFFFAOYSA-N 0 1 247.367 3.361 20 0 BGADMN CCOc1cc(NCc2[nH]ncc2C)ccc1C ZINC000289543456 386326185 /nfs/dbraw/zinc/32/61/85/386326185.db2.gz PMBCQUJYWLKWFJ-UHFFFAOYSA-N 0 1 245.326 3.037 20 0 BGADMN Cc1cn[nH]c1CNc1ccc(C)cc1Cl ZINC000289547574 384688060 /nfs/dbraw/zinc/68/80/60/384688060.db2.gz PXIARAMLWGCMOX-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN c1coc(C2=CCCN(Cc3cncs3)C2)c1 ZINC000289596285 386332974 /nfs/dbraw/zinc/33/29/74/386332974.db2.gz UZJCEDBOGXPREM-UHFFFAOYSA-N 0 1 246.335 3.025 20 0 BGADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000289615928 178228900 /nfs/dbraw/zinc/22/89/00/178228900.db2.gz VXYZLBGXZJQEDD-LLVKDONJSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1cn[nH]c1CNc1ccccc1C(C)C ZINC000289629256 386334429 /nfs/dbraw/zinc/33/44/29/386334429.db2.gz WXZYIEWYHPIRSB-UHFFFAOYSA-N 0 1 229.327 3.454 20 0 BGADMN Cc1cn[nH]c1CNc1ccc(Cl)cc1C ZINC000289638422 178068702 /nfs/dbraw/zinc/06/87/02/178068702.db2.gz XJSAHZNUMYQYMX-UHFFFAOYSA-N 0 1 235.718 3.292 20 0 BGADMN Cc1ccc(CN2CCC[C@H]2c2ccncc2)o1 ZINC000289664338 386338480 /nfs/dbraw/zinc/33/84/80/386338480.db2.gz CYVUQRKJTJGBQW-HNNXBMFYSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1ccc(CN2CCC[C@@H]2c2ccncc2)o1 ZINC000289664343 386339210 /nfs/dbraw/zinc/33/92/10/386339210.db2.gz CYVUQRKJTJGBQW-OAHLLOKOSA-N 0 1 242.322 3.320 20 0 BGADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cocn2)C1 ZINC000289681565 538945773 /nfs/dbraw/zinc/94/57/73/538945773.db2.gz NYHLKCYVPCXIEY-DOMZBBRYSA-N 0 1 242.322 3.258 20 0 BGADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cocn2)C1 ZINC000289681567 538945828 /nfs/dbraw/zinc/94/58/28/538945828.db2.gz NYHLKCYVPCXIEY-IUODEOHRSA-N 0 1 242.322 3.258 20 0 BGADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cocn2)C1 ZINC000289681570 538945718 /nfs/dbraw/zinc/94/57/18/538945718.db2.gz NYHLKCYVPCXIEY-SWLSCSKDSA-N 0 1 242.322 3.258 20 0 BGADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cocn2)C1 ZINC000289681572 538945736 /nfs/dbraw/zinc/94/57/36/538945736.db2.gz NYHLKCYVPCXIEY-WFASDCNBSA-N 0 1 242.322 3.258 20 0 BGADMN CSc1cccc(NCc2[nH]ncc2C)c1 ZINC000289682590 385187131 /nfs/dbraw/zinc/18/71/31/385187131.db2.gz AWQXQOKQBAQJBF-UHFFFAOYSA-N 0 1 233.340 3.052 20 0 BGADMN C[C@H](c1cccnc1)N1CCC(F)(F)[C@H](C)C1 ZINC000289699370 177044642 /nfs/dbraw/zinc/04/46/42/177044642.db2.gz HJVYAEODPJHODH-GHMZBOCLSA-N 0 1 240.297 3.120 20 0 BGADMN C[C@@H](c1cccnc1)N1CCC(F)(F)[C@H](C)C1 ZINC000289699373 176029480 /nfs/dbraw/zinc/02/94/80/176029480.db2.gz HJVYAEODPJHODH-MNOVXSKESA-N 0 1 240.297 3.120 20 0 BGADMN C[C@@H](c1cccnc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000289699375 176029533 /nfs/dbraw/zinc/02/95/33/176029533.db2.gz HJVYAEODPJHODH-QWRGUYRKSA-N 0 1 240.297 3.120 20 0 BGADMN C[C@H](c1cccnc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000289699376 177276800 /nfs/dbraw/zinc/27/68/00/177276800.db2.gz HJVYAEODPJHODH-WDEREUQCSA-N 0 1 240.297 3.120 20 0 BGADMN CC(C)C(=O)CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000289725539 188035848 /nfs/dbraw/zinc/03/58/48/188035848.db2.gz GJBLUXGCVUMBRZ-LBPRGKRZSA-N 0 1 249.354 3.000 20 0 BGADMN C[C@H]1CN(Cc2ccccc2F)CCC1(F)F ZINC000289749765 177266064 /nfs/dbraw/zinc/26/60/64/177266064.db2.gz KCFMTLMPHZLBFL-JTQLQIEISA-N 0 1 243.272 3.303 20 0 BGADMN C[C@@H]1CN(Cc2ccccc2F)CCC1(F)F ZINC000289749776 176307056 /nfs/dbraw/zinc/30/70/56/176307056.db2.gz KCFMTLMPHZLBFL-SNVBAGLBSA-N 0 1 243.272 3.303 20 0 BGADMN Cc1cc([C@H](C)NCc2n[nH]cc2C)c(C)s1 ZINC000289766052 178252322 /nfs/dbraw/zinc/25/23/22/178252322.db2.gz GEVCXOKQXMFPAJ-JTQLQIEISA-N 0 1 249.383 3.247 20 0 BGADMN Cc1cc([C@@H](C)NCc2n[nH]cc2C)c(C)s1 ZINC000289766061 178228407 /nfs/dbraw/zinc/22/84/07/178228407.db2.gz GEVCXOKQXMFPAJ-SNVBAGLBSA-N 0 1 249.383 3.247 20 0 BGADMN C[C@H]1CN(Cc2ccc(F)cc2)CCC1(F)F ZINC000289770639 177263708 /nfs/dbraw/zinc/26/37/08/177263708.db2.gz LGWAQDADVJFCRK-JTQLQIEISA-N 0 1 243.272 3.303 20 0 BGADMN C[C@@H]1CN(Cc2ccc(F)cc2)CCC1(F)F ZINC000289770642 176304957 /nfs/dbraw/zinc/30/49/57/176304957.db2.gz LGWAQDADVJFCRK-SNVBAGLBSA-N 0 1 243.272 3.303 20 0 BGADMN Cc1cn[nH]c1CNc1cccc(C(C)C)c1 ZINC000289779828 386355979 /nfs/dbraw/zinc/35/59/79/386355979.db2.gz HBHOWFHTNPKBKC-UHFFFAOYSA-N 0 1 229.327 3.454 20 0 BGADMN Cc1ccoc1CN1CCC[C@H]1c1ccncc1 ZINC000289802434 386358801 /nfs/dbraw/zinc/35/88/01/386358801.db2.gz MWZMPZHFWMAKKQ-AWEZNQCLSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1ccoc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289802434 386358798 /nfs/dbraw/zinc/35/87/98/386358798.db2.gz MWZMPZHFWMAKKQ-AWEZNQCLSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1ccoc1CN1CCC[C@@H]1c1ccncc1 ZINC000289802438 386358573 /nfs/dbraw/zinc/35/85/73/386358573.db2.gz MWZMPZHFWMAKKQ-CQSZACIVSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1ccoc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289802438 386358569 /nfs/dbraw/zinc/35/85/69/386358569.db2.gz MWZMPZHFWMAKKQ-CQSZACIVSA-N 0 1 242.322 3.320 20 0 BGADMN C[C@H]1CN(Cc2cccc(F)c2)CCC1(F)F ZINC000289808735 177264270 /nfs/dbraw/zinc/26/42/70/177264270.db2.gz NJQQFFOXDPCQIQ-JTQLQIEISA-N 0 1 243.272 3.303 20 0 BGADMN C[C@@H]1CN(Cc2cccc(F)c2)CCC1(F)F ZINC000289808740 176306357 /nfs/dbraw/zinc/30/63/57/176306357.db2.gz NJQQFFOXDPCQIQ-SNVBAGLBSA-N 0 1 243.272 3.303 20 0 BGADMN CCCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cn1 ZINC000289810295 352199106 /nfs/dbraw/zinc/19/91/06/352199106.db2.gz IUIYQGHXUVOGCW-LLVKDONJSA-N 0 1 224.323 3.231 20 0 BGADMN CCCC[C@H](C)[N@@H+](C)Cc1ccc(F)cn1 ZINC000289810298 352199164 /nfs/dbraw/zinc/19/91/64/352199164.db2.gz IUIYQGHXUVOGCW-NSHDSACASA-N 0 1 224.323 3.231 20 0 BGADMN c1coc(CN2CCC[C@H]2c2ccncc2)c1 ZINC000289824001 386359186 /nfs/dbraw/zinc/35/91/86/386359186.db2.gz OHUWFDUWQXQWBS-AWEZNQCLSA-N 0 1 228.295 3.012 20 0 BGADMN c1coc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000289824004 386359139 /nfs/dbraw/zinc/35/91/39/386359139.db2.gz OHUWFDUWQXQWBS-CQSZACIVSA-N 0 1 228.295 3.012 20 0 BGADMN CCCC[C@H](C)N(C)Cc1ncc(C)s1 ZINC000289840701 352200184 /nfs/dbraw/zinc/20/01/84/352200184.db2.gz KDDDQRDKDYDGKR-JTQLQIEISA-N 0 1 226.389 3.462 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1ncc(C)s1 ZINC000289840705 352200107 /nfs/dbraw/zinc/20/01/07/352200107.db2.gz KDDDQRDKDYDGKR-SNVBAGLBSA-N 0 1 226.389 3.462 20 0 BGADMN Cc1c[nH]nc1CN[C@H](c1ccccc1)C(C)C ZINC000289855761 386363933 /nfs/dbraw/zinc/36/39/33/386363933.db2.gz KXBDXTXGWOAZLP-HNNXBMFYSA-N 0 1 243.354 3.205 20 0 BGADMN Cc1c[nH]nc1CN[C@@H](c1ccccc1)C(C)C ZINC000289855764 386364498 /nfs/dbraw/zinc/36/44/98/386364498.db2.gz KXBDXTXGWOAZLP-OAHLLOKOSA-N 0 1 243.354 3.205 20 0 BGADMN CCN(Cc1ccsc1)Cc1ccncc1 ZINC000289864547 352200645 /nfs/dbraw/zinc/20/06/45/352200645.db2.gz QUSOCWJDWMGYCK-UHFFFAOYSA-N 0 1 232.352 3.165 20 0 BGADMN CCC[C@@H](NCc1cncn1C)c1ccsc1 ZINC000289873203 538946459 /nfs/dbraw/zinc/94/64/59/538946459.db2.gz ROPXDMTZXCJDAI-CYBMUJFWSA-N 0 1 249.383 3.113 20 0 BGADMN CCC[C@H](NCc1cncn1C)c1ccsc1 ZINC000289873207 538946297 /nfs/dbraw/zinc/94/62/97/538946297.db2.gz ROPXDMTZXCJDAI-ZDUSSCGKSA-N 0 1 249.383 3.113 20 0 BGADMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000289879028 386367745 /nfs/dbraw/zinc/36/77/45/386367745.db2.gz MFKXOKANIGEOLI-JTQLQIEISA-N 0 1 249.745 3.222 20 0 BGADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000289879032 386367443 /nfs/dbraw/zinc/36/74/43/386367443.db2.gz MFKXOKANIGEOLI-SNVBAGLBSA-N 0 1 249.745 3.222 20 0 BGADMN CCC[C@H](NCc1n[nH]cc1C)c1ccccc1 ZINC000289881194 386366970 /nfs/dbraw/zinc/36/69/70/386366970.db2.gz MHYOISCDLNYNPE-AWEZNQCLSA-N 0 1 243.354 3.349 20 0 BGADMN CCC[C@@H](NCc1n[nH]cc1C)c1ccccc1 ZINC000289881200 386367306 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0 BGADMN Cc1cc(F)ccc1CN1CCC[C@H]1CF ZINC000293020797 178086279 /nfs/dbraw/zinc/08/62/79/178086279.db2.gz KMGAKFCJPORRBU-ZDUSSCGKSA-N 0 1 225.282 3.068 20 0 BGADMN Cc1cc(CNC(C)(C)c2ccccc2C)on1 ZINC000293029773 178017610 /nfs/dbraw/zinc/01/76/10/178017610.db2.gz PQHYCYYWCVPHNS-UHFFFAOYSA-N 0 1 244.338 3.316 20 0 BGADMN Cc1cc(CN2CCC[C@@H]2CF)c(C)s1 ZINC000293046682 386770155 /nfs/dbraw/zinc/77/01/55/386770155.db2.gz MNVPXMPLJABIGD-GFCCVEGCSA-N 0 1 227.348 3.299 20 0 BGADMN Cc1cc(CN2CCC[C@H]2CF)c(C)s1 ZINC000293046684 386770326 /nfs/dbraw/zinc/77/03/26/386770326.db2.gz MNVPXMPLJABIGD-LBPRGKRZSA-N 0 1 227.348 3.299 20 0 BGADMN Cc1ccoc1CNCc1ccsc1C ZINC000293095590 387775853 /nfs/dbraw/zinc/77/58/53/387775853.db2.gz XKBOHAZTYDWDBA-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN CSc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000293128029 188037883 /nfs/dbraw/zinc/03/78/83/188037883.db2.gz RYOWZQNLOZVCDC-GFCCVEGCSA-N 0 1 239.359 3.342 20 0 BGADMN CSc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000293128034 386781497 /nfs/dbraw/zinc/78/14/97/386781497.db2.gz RYOWZQNLOZVCDC-LBPRGKRZSA-N 0 1 239.359 3.342 20 0 BGADMN C[C@H]1c2ccc(Cl)n2CCN1CCCCF ZINC000293132189 386781372 /nfs/dbraw/zinc/78/13/72/386781372.db2.gz LIIANEYJVJRTGF-JTQLQIEISA-N 0 1 244.741 3.268 20 0 BGADMN C[C@@H]1c2ccc(Cl)n2CCN1CCCCF ZINC000293132195 386781564 /nfs/dbraw/zinc/78/15/64/386781564.db2.gz LIIANEYJVJRTGF-SNVBAGLBSA-N 0 1 244.741 3.268 20 0 BGADMN FC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC000293140680 398112674 /nfs/dbraw/zinc/11/26/74/398112674.db2.gz STZQCPUZFOQECZ-GFCCVEGCSA-N 0 1 233.286 3.367 20 0 BGADMN FC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000293140682 398112639 /nfs/dbraw/zinc/11/26/39/398112639.db2.gz STZQCPUZFOQECZ-LBPRGKRZSA-N 0 1 233.286 3.367 20 0 BGADMN CCOc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000293172523 386785776 /nfs/dbraw/zinc/78/57/76/386785776.db2.gz VMIAUXQVJKXENU-CYBMUJFWSA-N 0 1 237.318 3.019 20 0 BGADMN CCOc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000293172527 386785516 /nfs/dbraw/zinc/78/55/16/386785516.db2.gz VMIAUXQVJKXENU-ZDUSSCGKSA-N 0 1 237.318 3.019 20 0 BGADMN C[C@@H]1CN(Cc2ccccc2OC(F)F)[C@@H]1C ZINC000293204957 176307675 /nfs/dbraw/zinc/30/76/75/176307675.db2.gz XWNRKYHEABNBSU-NXEZZACHSA-N 0 1 241.281 3.128 20 0 BGADMN C[C@H]1CN(Cc2ccccc2OC(F)F)[C@H]1C ZINC000293204959 177266360 /nfs/dbraw/zinc/26/63/60/177266360.db2.gz XWNRKYHEABNBSU-UWVGGRQHSA-N 0 1 241.281 3.128 20 0 BGADMN C[C@@H]1[C@@H](C)CN1Cc1ccccc1OC(F)F ZINC000293204961 177265911 /nfs/dbraw/zinc/26/59/11/177265911.db2.gz XWNRKYHEABNBSU-VHSXEESVSA-N 0 1 241.281 3.128 20 0 BGADMN C[C@@H]1CN(Cc2ccccc2OC(F)F)[C@H]1C ZINC000293204965 386786427 /nfs/dbraw/zinc/78/64/27/386786427.db2.gz XWNRKYHEABNBSU-ZJUUUORDSA-N 0 1 241.281 3.128 20 0 BGADMN Cc1c[nH]nc1CNC(C)(C)c1ccccc1C ZINC000293217148 179255838 /nfs/dbraw/zinc/25/58/38/179255838.db2.gz YLEGOCWNPGPOAL-UHFFFAOYSA-N 0 1 243.354 3.051 20 0 BGADMN Cc1nocc1CNC(C)(C)c1ccccc1C ZINC000293232343 179255626 /nfs/dbraw/zinc/25/56/26/179255626.db2.gz ZIJVTSOGXXBTSI-UHFFFAOYSA-N 0 1 244.338 3.316 20 0 BGADMN CSCc1cnc(CNC2(C)CCC2)s1 ZINC000293278370 386798841 /nfs/dbraw/zinc/79/88/41/386798841.db2.gz OAWHQJFFJDEKKE-UHFFFAOYSA-N 0 1 242.413 3.038 20 0 BGADMN CC1([NH2+]Cc2cccc([O-])c2Cl)CCC1 ZINC000293291661 168064216 /nfs/dbraw/zinc/06/42/16/168064216.db2.gz OUBQOCPCMNNFKI-UHFFFAOYSA-N 0 1 225.719 3.078 20 0 BGADMN Cc1ccoc1CN[C@H](C)c1cncc(C)c1 ZINC000293297752 386800964 /nfs/dbraw/zinc/80/09/64/386800964.db2.gz DPIHUYUJJFFKCW-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ccoc1CN[C@@H](C)c1cncc(C)c1 ZINC000293297757 386799396 /nfs/dbraw/zinc/79/93/96/386799396.db2.gz DPIHUYUJJFFKCW-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN COc1ccnc(NCc2ccsc2C)c1 ZINC000293315661 175365718 /nfs/dbraw/zinc/36/57/18/175365718.db2.gz QOJLUSKVNPTVAY-UHFFFAOYSA-N 0 1 234.324 3.072 20 0 BGADMN CC/C=C/CCN(C)Cc1conc1CC ZINC000293320441 386802664 /nfs/dbraw/zinc/80/26/64/386802664.db2.gz FXTKMKWFXBFUJY-VOTSOKGWSA-N 0 1 222.332 3.025 20 0 BGADMN CC(C)=CCNCc1cccc(O)c1Cl ZINC000293353853 187241463 /nfs/dbraw/zinc/24/14/63/187241463.db2.gz UASXULJIDXFVRX-UHFFFAOYSA-N 0 1 225.719 3.101 20 0 BGADMN Cc1nnsc1CN[C@@H](C)c1cccc(C)c1 ZINC000293369149 179195800 /nfs/dbraw/zinc/19/58/00/179195800.db2.gz HUFCFFJPXRLTIV-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1nnsc1CN[C@H](C)c1cccc(C)c1 ZINC000293369165 179182385 /nfs/dbraw/zinc/18/23/85/179182385.db2.gz HUFCFFJPXRLTIV-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN CCc1nocc1CN(C)[C@H](C)c1ccccc1 ZINC000293390644 172096091 /nfs/dbraw/zinc/09/60/91/172096091.db2.gz KPEFNHMEWBIVSM-GFCCVEGCSA-N 0 1 244.338 3.430 20 0 BGADMN CCc1nocc1CN(C)[C@@H](C)c1ccccc1 ZINC000293390647 172095284 /nfs/dbraw/zinc/09/52/84/172095284.db2.gz KPEFNHMEWBIVSM-LBPRGKRZSA-N 0 1 244.338 3.430 20 0 BGADMN CC(C)(C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293434896 387588335 /nfs/dbraw/zinc/58/83/35/387588335.db2.gz BLYFSRURKHFYNR-UHFFFAOYSA-N 0 1 227.735 3.181 20 0 BGADMN CC[C@H](NCc1conc1C)c1ccccc1 ZINC000293436807 385601958 /nfs/dbraw/zinc/60/19/58/385601958.db2.gz BOZVVGYDABAITK-AWEZNQCLSA-N 0 1 230.311 3.224 20 0 BGADMN CC[C@@H](NCc1conc1C)c1ccccc1 ZINC000293436810 350882479 /nfs/dbraw/zinc/88/24/79/350882479.db2.gz BOZVVGYDABAITK-CQSZACIVSA-N 0 1 230.311 3.224 20 0 BGADMN Cc1nocc1CNC(C)(C)c1cccc(F)c1 ZINC000293472183 386822256 /nfs/dbraw/zinc/82/22/56/386822256.db2.gz FAYYLXLPAONHAQ-UHFFFAOYSA-N 0 1 248.301 3.147 20 0 BGADMN Cc1nocc1CNC1(c2ccccc2)CCC1 ZINC000293473833 386823336 /nfs/dbraw/zinc/82/33/36/386823336.db2.gz FDDDDYJIJUIMLG-UHFFFAOYSA-N 0 1 242.322 3.152 20 0 BGADMN CCC1([NH2+]Cc2cccc([O-])c2Cl)CCC1 ZINC000293485491 388388896 /nfs/dbraw/zinc/38/88/96/388388896.db2.gz GEGSLTCUGMCPET-UHFFFAOYSA-N 0 1 239.746 3.468 20 0 BGADMN [O-]c1cccc(C[NH2+][C@@H]2CC=CCC2)c1Cl ZINC000293535093 183291730 /nfs/dbraw/zinc/29/17/30/183291730.db2.gz JTESKPMLJPLDPI-LLVKDONJSA-N 0 1 237.730 3.244 20 0 BGADMN [O-]c1cccc(C[NH2+][C@H]2CC=CCC2)c1Cl ZINC000293535094 183291803 /nfs/dbraw/zinc/29/18/03/183291803.db2.gz JTESKPMLJPLDPI-NSHDSACASA-N 0 1 237.730 3.244 20 0 BGADMN Cc1sccc1CN(C)Cc1cccnc1 ZINC000293564367 386839216 /nfs/dbraw/zinc/83/92/16/386839216.db2.gz IJOFHMZKLRNFAL-UHFFFAOYSA-N 0 1 232.352 3.084 20 0 BGADMN Cc1sccc1C[N@H+](C)Cc1cccnc1 ZINC000293564367 386839213 /nfs/dbraw/zinc/83/92/13/386839213.db2.gz IJOFHMZKLRNFAL-UHFFFAOYSA-N 0 1 232.352 3.084 20 0 BGADMN CN(CCF)Cc1cc2ccccc2s1 ZINC000293565804 386839567 /nfs/dbraw/zinc/83/95/67/386839567.db2.gz GNXJPCRVASCRRT-UHFFFAOYSA-N 0 1 223.316 3.303 20 0 BGADMN C[N@@H+](CCF)Cc1cc2ccccc2s1 ZINC000293565804 386839559 /nfs/dbraw/zinc/83/95/59/386839559.db2.gz GNXJPCRVASCRRT-UHFFFAOYSA-N 0 1 223.316 3.303 20 0 BGADMN Cc1nocc1CN[C@H]1CCc2cc(C)ccc21 ZINC000293598049 188037672 /nfs/dbraw/zinc/03/76/72/188037672.db2.gz OTSVFHVCRKMUQI-HNNXBMFYSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1nocc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000293598051 187860979 /nfs/dbraw/zinc/86/09/79/187860979.db2.gz OTSVFHVCRKMUQI-OAHLLOKOSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1nocc1CN[C@H](C)c1ccc(C)cc1 ZINC000293633669 389001847 /nfs/dbraw/zinc/00/18/47/389001847.db2.gz RFLSQSHMSRBDPP-LLVKDONJSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1nocc1CN[C@@H](C)c1ccc(C)cc1 ZINC000293633673 389002361 /nfs/dbraw/zinc/00/23/61/389002361.db2.gz RFLSQSHMSRBDPP-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN Cc1nocc1CNCc1c(C)cc(C)cc1C ZINC000293642752 389042040 /nfs/dbraw/zinc/04/20/40/389042040.db2.gz RUKZTSNJKNMDPY-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN Cc1nocc1CNC(C)(C)c1ccccc1 ZINC000293647051 386853885 /nfs/dbraw/zinc/85/38/85/386853885.db2.gz SDDJICKLNOBPKR-UHFFFAOYSA-N 0 1 230.311 3.008 20 0 BGADMN COc1ccc(CN(C)CCF)c2ccccc12 ZINC000293648393 187350485 /nfs/dbraw/zinc/35/04/85/187350485.db2.gz MTFJNYQJOWFPGP-UHFFFAOYSA-N 0 1 247.313 3.250 20 0 BGADMN Cc1nocc1CN[C@H](C)c1cccc(C)c1C ZINC000293654622 179183389 /nfs/dbraw/zinc/18/33/89/179183389.db2.gz SRIXEBJFOUOYCO-CYBMUJFWSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1nocc1CN[C@@H](C)c1cccc(C)c1C ZINC000293654634 179196793 /nfs/dbraw/zinc/19/67/93/179196793.db2.gz SRIXEBJFOUOYCO-ZDUSSCGKSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1nocc1CNCc1ccc(C(C)C)cc1 ZINC000293658654 388356764 /nfs/dbraw/zinc/35/67/64/388356764.db2.gz TVSRAZCXBJZTTN-UHFFFAOYSA-N 0 1 244.338 3.396 20 0 BGADMN Cc1sccc1CNCc1ncccc1C ZINC000293660028 179383172 /nfs/dbraw/zinc/38/31/72/179383172.db2.gz TXUNABVXQOWAPZ-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1nocc1CNC(C)(C)c1cccc(C)c1 ZINC000293661591 179027749 /nfs/dbraw/zinc/02/77/49/179027749.db2.gz UCBUEJQWDBUJDV-UHFFFAOYSA-N 0 1 244.338 3.316 20 0 BGADMN CC[C@@H](NCc1snnc1C)c1ccccc1 ZINC000293663017 364765657 /nfs/dbraw/zinc/76/56/57/364765657.db2.gz MCRDJJHRRYBDBW-GFCCVEGCSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1snnc1C)c1ccccc1 ZINC000293663019 388357188 /nfs/dbraw/zinc/35/71/88/388357188.db2.gz MCRDJJHRRYBDBW-LBPRGKRZSA-N 0 1 247.367 3.087 20 0 BGADMN Cc1ncc(CNCc2ccsc2C)s1 ZINC000293668432 180154560 /nfs/dbraw/zinc/15/45/60/180154560.db2.gz UQIKDHCGIMXYAQ-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN Cc1nocc1CN[C@H]1CCCc2ccccc21 ZINC000293685133 388358153 /nfs/dbraw/zinc/35/81/53/388358153.db2.gz AVFBGAOTANOTDJ-HNNXBMFYSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1nocc1CN[C@@H]1CCCc2ccccc21 ZINC000293685140 388358109 /nfs/dbraw/zinc/35/81/09/388358109.db2.gz AVFBGAOTANOTDJ-OAHLLOKOSA-N 0 1 242.322 3.150 20 0 BGADMN CCC(C)(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293720883 168299578 /nfs/dbraw/zinc/29/95/78/168299578.db2.gz YLVQQUIZZLGYHJ-UHFFFAOYSA-N 0 1 227.735 3.324 20 0 BGADMN Cc1nnsc1CN[C@@H](C)c1ccccc1C ZINC000293722201 179339001 /nfs/dbraw/zinc/33/90/01/179339001.db2.gz PQMZFFOYICYEJJ-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1nnsc1CN[C@H](C)c1ccccc1C ZINC000293722205 179322135 /nfs/dbraw/zinc/32/21/35/179322135.db2.gz PQMZFFOYICYEJJ-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1sccc1CN(C)Cc1ccncc1 ZINC000293733093 386869486 /nfs/dbraw/zinc/86/94/86/386869486.db2.gz WMZOQGBJIFEYTC-UHFFFAOYSA-N 0 1 232.352 3.084 20 0 BGADMN Cc1nocc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000293738589 178229166 /nfs/dbraw/zinc/22/91/66/178229166.db2.gz ZYDRSNLDNUTXPK-SNVBAGLBSA-N 0 1 248.301 3.281 20 0 BGADMN Cc1nnsc1CN[C@@H](C)c1ccc(C)cc1 ZINC000293751055 384704583 /nfs/dbraw/zinc/70/45/83/384704583.db2.gz RIKJIMPTQKNNHX-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1nnsc1CN[C@H](C)c1ccc(C)cc1 ZINC000293751057 384708224 /nfs/dbraw/zinc/70/82/24/384708224.db2.gz RIKJIMPTQKNNHX-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN CN(CCF)Cc1cccc(-c2ccccn2)c1 ZINC000293789299 386880406 /nfs/dbraw/zinc/88/04/06/386880406.db2.gz ZRJVMJHMLHCANU-UHFFFAOYSA-N 0 1 244.313 3.150 20 0 BGADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccsc1 ZINC000293818625 386884726 /nfs/dbraw/zinc/88/47/26/386884726.db2.gz WETHUDOJTZYBBE-UHFFFAOYSA-N 0 1 249.339 3.021 20 0 BGADMN Cc1nocc1CN1CC=C(C(C)(C)C)CC1 ZINC000293832578 386886931 /nfs/dbraw/zinc/88/69/31/386886931.db2.gz DWKKPVHGERDPOD-UHFFFAOYSA-N 0 1 234.343 3.161 20 0 BGADMN C[N@@H+](Cc1cccnc1)[C@H]1C=CCCCCC1 ZINC000293883410 386895851 /nfs/dbraw/zinc/89/58/51/386895851.db2.gz UICHZIYHEKLETB-HNNXBMFYSA-N 0 1 230.355 3.402 20 0 BGADMN C[N@@H+](Cc1cccnc1)[C@@H]1C=CCCCCC1 ZINC000293883413 386896919 /nfs/dbraw/zinc/89/69/19/386896919.db2.gz UICHZIYHEKLETB-OAHLLOKOSA-N 0 1 230.355 3.402 20 0 BGADMN CC(C)=CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293941568 187350531 /nfs/dbraw/zinc/35/05/31/187350531.db2.gz OIUGSINGPOEYGY-AWEZNQCLSA-N 0 1 230.355 3.431 20 0 BGADMN CC(C)=CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000293941572 386907574 /nfs/dbraw/zinc/90/75/74/386907574.db2.gz OIUGSINGPOEYGY-CQSZACIVSA-N 0 1 230.355 3.431 20 0 BGADMN [O-]c1cccc(C[NH2+]C2CCCC2)c1Cl ZINC000293958772 183289912 /nfs/dbraw/zinc/28/99/12/183289912.db2.gz CGIBAJBBIZSWFD-UHFFFAOYSA-N 0 1 225.719 3.078 20 0 BGADMN CC(C)[C@H]1N(Cc2cncs2)CC1(C)C ZINC000293983641 398119675 /nfs/dbraw/zinc/11/96/75/398119675.db2.gz RLNDSYQMUPANPX-LLVKDONJSA-N 0 1 224.373 3.010 20 0 BGADMN CC(C)[C@@H]1N(Cc2cncs2)CC1(C)C ZINC000293983644 398119721 /nfs/dbraw/zinc/11/97/21/398119721.db2.gz RLNDSYQMUPANPX-NSHDSACASA-N 0 1 224.373 3.010 20 0 BGADMN FC[C@H]1CCCN1Cc1ccc2occc2c1 ZINC000293995709 180938346 /nfs/dbraw/zinc/93/83/46/180938346.db2.gz LXZVZURQDDSWDU-CYBMUJFWSA-N 0 1 233.286 3.367 20 0 BGADMN FC[C@@H]1CCCN1Cc1ccc2occc2c1 ZINC000293995710 385782718 /nfs/dbraw/zinc/78/27/18/385782718.db2.gz LXZVZURQDDSWDU-ZDUSSCGKSA-N 0 1 233.286 3.367 20 0 BGADMN CCN(Cc1ccsc1C)Cc1ccncc1 ZINC000294063556 385797956 /nfs/dbraw/zinc/79/79/56/385797956.db2.gz XYXXXBGQUCIDMP-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN CCOc1cccc(CN2CCC[C@@H]2CF)c1 ZINC000294071355 385799005 /nfs/dbraw/zinc/79/90/05/385799005.db2.gz QONVMOSTLPPPCU-CYBMUJFWSA-N 0 1 237.318 3.019 20 0 BGADMN CCOc1cccc(CN2CCC[C@H]2CF)c1 ZINC000294071357 385800086 /nfs/dbraw/zinc/80/00/86/385800086.db2.gz QONVMOSTLPPPCU-ZDUSSCGKSA-N 0 1 237.318 3.019 20 0 BGADMN Cc1sccc1CN[C@@H](C)c1ccccn1 ZINC000294076977 384622382 /nfs/dbraw/zinc/62/23/82/384622382.db2.gz LAXDMEKQCGDOLA-JTQLQIEISA-N 0 1 232.352 3.302 20 0 BGADMN Cc1sccc1CN[C@H](C)c1ccccn1 ZINC000294076982 384622053 /nfs/dbraw/zinc/62/20/53/384622053.db2.gz LAXDMEKQCGDOLA-SNVBAGLBSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1nocc1CN[C@H](c1ccccc1)C(C)C ZINC000294101413 384648978 /nfs/dbraw/zinc/64/89/78/384648978.db2.gz MJYNMEDJZUWDFG-HNNXBMFYSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1nocc1CN[C@@H](c1ccccc1)C(C)C ZINC000294101420 384649077 /nfs/dbraw/zinc/64/90/77/384649077.db2.gz MJYNMEDJZUWDFG-OAHLLOKOSA-N 0 1 244.338 3.470 20 0 BGADMN FC[C@H]1CCCN1C/C=C/c1ccc(F)cc1 ZINC000294102886 385806256 /nfs/dbraw/zinc/80/62/56/385806256.db2.gz SEUUFUUNJJNSFH-XYHHVPKHSA-N 0 1 237.293 3.273 20 0 BGADMN FC[C@@H]1CCCN1C/C=C/c1ccc(F)cc1 ZINC000294102899 385806593 /nfs/dbraw/zinc/80/65/93/385806593.db2.gz SEUUFUUNJJNSFH-YOUVMVQBSA-N 0 1 237.293 3.273 20 0 BGADMN [O-]c1ccc(F)c(C[NH2+]C2CCCCC2)c1F ZINC000294138321 183274100 /nfs/dbraw/zinc/27/41/00/183274100.db2.gz HHJQMUOELSOILL-UHFFFAOYSA-N 0 1 241.281 3.093 20 0 BGADMN CCC(CC)[NH2+]Cc1cccc([O-])c1Cl ZINC000294149326 168390076 /nfs/dbraw/zinc/39/00/76/168390076.db2.gz OTQBSODUOWFQAP-UHFFFAOYSA-N 0 1 227.735 3.324 20 0 BGADMN CC(F)(F)CCNCc1c(F)cccc1F ZINC000294158758 387591653 /nfs/dbraw/zinc/59/16/53/387591653.db2.gz IFVWDGNLJSAUJQ-UHFFFAOYSA-N 0 1 235.224 3.100 20 0 BGADMN Cc1cc([C@@H](C)NCc2cccnc2)cs1 ZINC000294165727 178228276 /nfs/dbraw/zinc/22/82/76/178228276.db2.gz IUTFOWXILAISTA-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cc([C@H](C)NCc2cccnc2)cs1 ZINC000294165732 178252369 /nfs/dbraw/zinc/25/23/69/178252369.db2.gz IUTFOWXILAISTA-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1nocc1CN[C@@H](c1ccccc1)C1CC1 ZINC000294193797 384389136 /nfs/dbraw/zinc/38/91/36/384389136.db2.gz RBSBQHUEPKOOIG-HNNXBMFYSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1nocc1CN[C@H](c1ccccc1)C1CC1 ZINC000294193805 384390285 /nfs/dbraw/zinc/39/02/85/384390285.db2.gz RBSBQHUEPKOOIG-OAHLLOKOSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1cc([C@@H](C)N[C@H](C)c2cnn(C)c2)cs1 ZINC000294233345 178232343 /nfs/dbraw/zinc/23/23/43/178232343.db2.gz OKBWJLUVHIPNNZ-GHMZBOCLSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cs1 ZINC000294233348 178231780 /nfs/dbraw/zinc/23/17/80/178231780.db2.gz OKBWJLUVHIPNNZ-MNOVXSKESA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@H](C)N[C@@H](C)c2cnn(C)c2)cs1 ZINC000294233349 178254458 /nfs/dbraw/zinc/25/44/58/178254458.db2.gz OKBWJLUVHIPNNZ-QWRGUYRKSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@H](C)N[C@H](C)c2cnn(C)c2)cs1 ZINC000294233351 178258579 /nfs/dbraw/zinc/25/85/79/178258579.db2.gz OKBWJLUVHIPNNZ-WDEREUQCSA-N 0 1 249.383 3.202 20 0 BGADMN CC(F)(F)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000294238050 388390309 /nfs/dbraw/zinc/39/03/09/388390309.db2.gz OXCPOBWBGHJESE-UHFFFAOYSA-N 0 1 249.688 3.181 20 0 BGADMN Cc1nc([C@@H](C)NCCC(C)(F)F)cs1 ZINC000294285207 180035110 /nfs/dbraw/zinc/03/51/10/180035110.db2.gz SYTUQDAWTDEDBR-SSDOTTSWSA-N 0 1 234.315 3.147 20 0 BGADMN Cc1nc([C@H](C)NCCC(C)(F)F)cs1 ZINC000294285210 180048368 /nfs/dbraw/zinc/04/83/68/180048368.db2.gz SYTUQDAWTDEDBR-ZETCQYMHSA-N 0 1 234.315 3.147 20 0 BGADMN CN(CCC1CC1)Cc1cccc(O)c1Cl ZINC000294290704 385833140 /nfs/dbraw/zinc/83/31/40/385833140.db2.gz PIXFBZUUCIOYEN-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN C[N@@H+](CCC1CC1)Cc1cccc([O-])c1Cl ZINC000294290704 385833137 /nfs/dbraw/zinc/83/31/37/385833137.db2.gz PIXFBZUUCIOYEN-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN C[N@H+](CCC1CC1)Cc1cccc([O-])c1Cl ZINC000294290704 385833133 /nfs/dbraw/zinc/83/31/33/385833133.db2.gz PIXFBZUUCIOYEN-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN CC[C@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000294296822 384739973 /nfs/dbraw/zinc/73/99/73/384739973.db2.gz ZMFRKJIYPVUNSD-KBPBESRZSA-N 0 1 241.338 3.069 20 0 BGADMN CC[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000294296826 345906313 /nfs/dbraw/zinc/90/63/13/345906313.db2.gz ZMFRKJIYPVUNSD-KGLIPLIRSA-N 0 1 241.338 3.069 20 0 BGADMN CC[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000294296831 384739432 /nfs/dbraw/zinc/73/94/32/384739432.db2.gz ZMFRKJIYPVUNSD-UONOGXRCSA-N 0 1 241.338 3.069 20 0 BGADMN CC[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000294296837 170910079 /nfs/dbraw/zinc/91/00/79/170910079.db2.gz ZMFRKJIYPVUNSD-ZIAGYGMSSA-N 0 1 241.338 3.069 20 0 BGADMN Cc1nocc1CN[C@H](C)c1ccccc1C ZINC000294298585 179322146 /nfs/dbraw/zinc/32/21/46/179322146.db2.gz WULFTUUFZMLLLP-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN CCn1cc([C@@H](C)NCc2csc(C)c2)cn1 ZINC000294323369 172194505 /nfs/dbraw/zinc/19/45/05/172194505.db2.gz WXMXLSLXTCUUNW-LLVKDONJSA-N 0 1 249.383 3.124 20 0 BGADMN CCn1cc([C@H](C)NCc2csc(C)c2)cn1 ZINC000294323371 172197047 /nfs/dbraw/zinc/19/70/47/172197047.db2.gz WXMXLSLXTCUUNW-NSHDSACASA-N 0 1 249.383 3.124 20 0 BGADMN COc1ccccc1CNCc1ccsc1C ZINC000294333852 175330095 /nfs/dbraw/zinc/33/00/95/175330095.db2.gz YRFGBYNMDIFTBZ-UHFFFAOYSA-N 0 1 247.363 3.355 20 0 BGADMN CC[C@H](NCc1c[nH]nc1C)c1ccsc1 ZINC000294480187 384881144 /nfs/dbraw/zinc/88/11/44/384881144.db2.gz XALPMNGQXDAWAB-LBPRGKRZSA-N 0 1 235.356 3.021 20 0 BGADMN CSCCC[N@@H+](C)Cc1ccsc1C ZINC000294492799 385857931 /nfs/dbraw/zinc/85/79/31/385857931.db2.gz BEGHWTGQWLTSOO-UHFFFAOYSA-N 0 1 229.414 3.241 20 0 BGADMN CN(Cc1cc(F)ncc1F)C1CCCCC1 ZINC000294509649 385859289 /nfs/dbraw/zinc/85/92/89/385859289.db2.gz CTLJOTFGVIJEAQ-UHFFFAOYSA-N 0 1 240.297 3.124 20 0 BGADMN Cc1cnccc1CN(C)Cc1cccs1 ZINC000294527377 385863669 /nfs/dbraw/zinc/86/36/69/385863669.db2.gz GMUVUQCLSOICIY-UHFFFAOYSA-N 0 1 232.352 3.084 20 0 BGADMN Cc1cnccc1CN(C)Cc1cccc(F)c1 ZINC000294540579 385864602 /nfs/dbraw/zinc/86/46/02/385864602.db2.gz ISLVFQAAVPOLBT-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CCN(Cc1cc(F)ncc1F)C1CCCC1 ZINC000294567228 352380533 /nfs/dbraw/zinc/38/05/33/352380533.db2.gz NNVYLNOHDMILKX-UHFFFAOYSA-N 0 1 240.297 3.124 20 0 BGADMN Cc1cnccc1CN(C)[C@H](C)c1ccco1 ZINC000294571225 385869443 /nfs/dbraw/zinc/86/94/43/385869443.db2.gz ONDGJZDTNUBBGF-GFCCVEGCSA-N 0 1 230.311 3.176 20 0 BGADMN Cc1cnccc1CN(C)[C@@H](C)c1ccco1 ZINC000294571232 385868433 /nfs/dbraw/zinc/86/84/33/385868433.db2.gz ONDGJZDTNUBBGF-LBPRGKRZSA-N 0 1 230.311 3.176 20 0 BGADMN CCN(Cc1cccs1)Cc1ccncc1C ZINC000294575444 352380581 /nfs/dbraw/zinc/38/05/81/352380581.db2.gz PDGDTPBBPYBLQV-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN FCCNCc1ccc(C2CCC2)cc1 ZINC000294589296 385872673 /nfs/dbraw/zinc/87/26/73/385872673.db2.gz HIZLHVWMBSEDIX-UHFFFAOYSA-N 0 1 207.292 3.013 20 0 BGADMN Cc1cnccc1C[N@@H+](C)CCc1ccccc1 ZINC000294591549 385872064 /nfs/dbraw/zinc/87/20/64/385872064.db2.gz SDOHTLJZHUZAEO-UHFFFAOYSA-N 0 1 240.350 3.065 20 0 BGADMN Cc1cnccc1CN1CCc2sccc2C1 ZINC000294605356 385873246 /nfs/dbraw/zinc/87/32/46/385873246.db2.gz VAYHRVVADSBOSS-UHFFFAOYSA-N 0 1 244.363 3.010 20 0 BGADMN Cc1cnccc1CN(Cc1ccco1)C(C)C ZINC000294620473 385875963 /nfs/dbraw/zinc/87/59/63/385875963.db2.gz YEZWLVVBTFCQDM-UHFFFAOYSA-N 0 1 244.338 3.394 20 0 BGADMN CCn1cc([C@H](C)NCc2ccsc2C)cn1 ZINC000294711388 172197816 /nfs/dbraw/zinc/19/78/16/172197816.db2.gz AGTVPXFLFQPFTR-JTQLQIEISA-N 0 1 249.383 3.124 20 0 BGADMN CCn1cc([C@@H](C)NCc2ccsc2C)cn1 ZINC000294711390 172194004 /nfs/dbraw/zinc/19/40/04/172194004.db2.gz AGTVPXFLFQPFTR-SNVBAGLBSA-N 0 1 249.383 3.124 20 0 BGADMN Cc1cccc(CN[C@H](C)c2cccnc2)c1F ZINC000294718781 179100201 /nfs/dbraw/zinc/10/02/01/179100201.db2.gz HVCSZPHTXAIHIP-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2cccnc2)c1F ZINC000294718785 179098418 /nfs/dbraw/zinc/09/84/18/179098418.db2.gz HVCSZPHTXAIHIP-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN CCC1([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000294719996 385887985 /nfs/dbraw/zinc/88/79/85/385887985.db2.gz FIJYMIOOACNWOP-UHFFFAOYSA-N 0 1 241.338 3.109 20 0 BGADMN CCC1([NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000294724163 388403229 /nfs/dbraw/zinc/40/32/29/388403229.db2.gz FTPGRWXETYEPEM-UHFFFAOYSA-N 0 1 225.719 3.078 20 0 BGADMN CCC1(NCc2ncc(CSC)s2)CC1 ZINC000294759497 385891583 /nfs/dbraw/zinc/89/15/83/385891583.db2.gz IZHYMXXUAAKHEX-UHFFFAOYSA-N 0 1 242.413 3.038 20 0 BGADMN Cc1cc(C[N@@H+](C)C[C@H]2CCCCO2)cs1 ZINC000294763875 385894346 /nfs/dbraw/zinc/89/43/46/385894346.db2.gz IYLMXQFYRIYJQU-CYBMUJFWSA-N 0 1 239.384 3.057 20 0 BGADMN Cc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)cs1 ZINC000294763878 385894533 /nfs/dbraw/zinc/89/45/33/385894533.db2.gz IYLMXQFYRIYJQU-ZDUSSCGKSA-N 0 1 239.384 3.057 20 0 BGADMN CC(=O)c1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000294782296 385895144 /nfs/dbraw/zinc/89/51/44/385895144.db2.gz APKAISDKAGFHHK-UHFFFAOYSA-N 0 1 231.339 3.262 20 0 BGADMN Cc1[nH]ncc1CNc1ccc2c(c1)CCCC2 ZINC000294804085 388404491 /nfs/dbraw/zinc/40/44/91/388404491.db2.gz NEZGYOSOEDEJGK-UHFFFAOYSA-N 0 1 241.338 3.209 20 0 BGADMN Cc1cnccc1CN1CCc2ccsc2C1 ZINC000294809074 385898004 /nfs/dbraw/zinc/89/80/04/385898004.db2.gz LXMDRILKDKVCTD-UHFFFAOYSA-N 0 1 244.363 3.010 20 0 BGADMN Cc1nocc1CN(C)[C@H]1CCc2ccccc21 ZINC000294813865 385900185 /nfs/dbraw/zinc/90/01/85/385900185.db2.gz FITJNDCCPIQQAD-HNNXBMFYSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1nocc1CN(C)[C@@H]1CCc2ccccc21 ZINC000294813866 385899909 /nfs/dbraw/zinc/89/99/09/385899909.db2.gz FITJNDCCPIQQAD-OAHLLOKOSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1nocc1CN1CCC[C@@H]1c1cccs1 ZINC000294817382 385900012 /nfs/dbraw/zinc/90/00/12/385900012.db2.gz FRBLMPUUYNYGTH-GFCCVEGCSA-N 0 1 248.351 3.382 20 0 BGADMN Cc1nocc1CN1CCC[C@H]1c1cccs1 ZINC000294817385 385899066 /nfs/dbraw/zinc/89/90/66/385899066.db2.gz FRBLMPUUYNYGTH-LBPRGKRZSA-N 0 1 248.351 3.382 20 0 BGADMN CCN(Cc1conc1C)Cc1ccccc1 ZINC000294832282 352385835 /nfs/dbraw/zinc/38/58/35/352385835.db2.gz HFKLCEXNGWOKFF-UHFFFAOYSA-N 0 1 230.311 3.005 20 0 BGADMN CC(=O)c1cccc(CN2CC=C(C)CC2)c1 ZINC000294846967 385903004 /nfs/dbraw/zinc/90/30/04/385903004.db2.gz AONCZIIOZTYHEK-UHFFFAOYSA-N 0 1 229.323 3.041 20 0 BGADMN Cc1cccc(NCCCC(C)(F)F)n1 ZINC000294853905 179143155 /nfs/dbraw/zinc/14/31/55/179143155.db2.gz CLBTWCMVESSIHX-UHFFFAOYSA-N 0 1 214.259 3.237 20 0 BGADMN C[N@@H+](Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000294864617 385275875 /nfs/dbraw/zinc/27/58/75/385275875.db2.gz JRTQZTLVNCMBAR-UHFFFAOYSA-N 0 1 239.746 3.420 20 0 BGADMN C[N@H+](Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000294864617 385275868 /nfs/dbraw/zinc/27/58/68/385275868.db2.gz JRTQZTLVNCMBAR-UHFFFAOYSA-N 0 1 239.746 3.420 20 0 BGADMN Cc1cn[nH]c1CNc1ccc2c(c1)CCCC2 ZINC000294864857 385906285 /nfs/dbraw/zinc/90/62/85/385906285.db2.gz UCQJOFMNFCQRTA-UHFFFAOYSA-N 0 1 241.338 3.209 20 0 BGADMN Cc1ccc(CN(C)Cc2ccncc2C)s1 ZINC000294872911 385907139 /nfs/dbraw/zinc/90/71/39/385907139.db2.gz QGGNONGULMLNQN-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN CC(C)C[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000294889126 353798015 /nfs/dbraw/zinc/79/80/15/353798015.db2.gz LNYGRSUHLZQWTM-UHFFFAOYSA-N 0 1 227.735 3.133 20 0 BGADMN CC(C)C[N@H+](C)Cc1cccc([O-])c1Cl ZINC000294889126 353798011 /nfs/dbraw/zinc/79/80/11/353798011.db2.gz LNYGRSUHLZQWTM-UHFFFAOYSA-N 0 1 227.735 3.133 20 0 BGADMN CC(=O)c1ccc(CN2CC=C(C)CC2)cc1 ZINC000294891762 188038236 /nfs/dbraw/zinc/03/82/36/188038236.db2.gz GGQRVDFLUBQHJY-UHFFFAOYSA-N 0 1 229.323 3.041 20 0 BGADMN CCn1cccc1CNc1ccc2c(n1)CCC2 ZINC000294894150 172208780 /nfs/dbraw/zinc/20/87/80/172208780.db2.gz RCWQZBUFPCRSHB-UHFFFAOYSA-N 0 1 241.338 3.004 20 0 BGADMN CCN(C)Cc1ccc(Sc2ccccn2)o1 ZINC000294904120 385914336 /nfs/dbraw/zinc/91/43/36/385914336.db2.gz MVMRKMLSLWLQFW-UHFFFAOYSA-N 0 1 248.351 3.278 20 0 BGADMN CC/C=C/CNCc1ccc(Br)o1 ZINC000294917406 385310478 /nfs/dbraw/zinc/31/04/78/385310478.db2.gz FJKBQMSZJGMZTQ-ONEGZZNKSA-N 0 1 244.132 3.098 20 0 BGADMN CCC(C)=CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000294918613 385917263 /nfs/dbraw/zinc/91/72/63/385917263.db2.gz JRDUOYPDVQLQGO-VQHVLOKHSA-N 0 1 243.310 3.166 20 0 BGADMN CC[C@H](C)CN(CC)Cc1cc(F)ncc1F ZINC000294920266 171278371 /nfs/dbraw/zinc/27/83/71/171278371.db2.gz TWWTUJUCRMRXFA-JTQLQIEISA-N 0 1 242.313 3.228 20 0 BGADMN CC[C@@H](C)CN(CC)Cc1cc(F)ncc1F ZINC000294920268 385917603 /nfs/dbraw/zinc/91/76/03/385917603.db2.gz TWWTUJUCRMRXFA-SNVBAGLBSA-N 0 1 242.313 3.228 20 0 BGADMN Cc1[nH]ncc1CNc1cccc(OC(C)C)c1 ZINC000294923577 385916079 /nfs/dbraw/zinc/91/60/79/385916079.db2.gz FTRLETSKBFVKTI-UHFFFAOYSA-N 0 1 245.326 3.117 20 0 BGADMN CC[N@@H+](Cc1cccc([O-])c1Cl)C(C)C ZINC000294925998 346321574 /nfs/dbraw/zinc/32/15/74/346321574.db2.gz OJLOONOEHONGLX-UHFFFAOYSA-N 0 1 227.735 3.276 20 0 BGADMN CC[N@H+](Cc1cccc([O-])c1Cl)C(C)C ZINC000294925998 346321572 /nfs/dbraw/zinc/32/15/72/346321572.db2.gz OJLOONOEHONGLX-UHFFFAOYSA-N 0 1 227.735 3.276 20 0 BGADMN CC(=O)c1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC000294926787 187351529 /nfs/dbraw/zinc/35/15/29/187351529.db2.gz JTTSGFOJOOITRX-UHFFFAOYSA-N 0 1 231.339 3.121 20 0 BGADMN CS[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000294946007 385922804 /nfs/dbraw/zinc/92/28/04/385922804.db2.gz CQOPSYGIWXZMSI-MRVPVSSYSA-N 0 1 247.816 3.339 20 0 BGADMN CS[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000294946012 385922791 /nfs/dbraw/zinc/92/27/91/385922791.db2.gz CQOPSYGIWXZMSI-QMMMGPOBSA-N 0 1 247.816 3.339 20 0 BGADMN CC/C=C/CNCc1nn(CC)c2ccccc12 ZINC000294947779 385323422 /nfs/dbraw/zinc/32/34/22/385323422.db2.gz HHERKPJHSFZNFD-VMPITWQZSA-N 0 1 243.354 3.112 20 0 BGADMN CCCN(Cc1conc1C)Cc1ccccc1 ZINC000294970579 169177573 /nfs/dbraw/zinc/17/75/73/169177573.db2.gz RMADIJXLGYGCEB-UHFFFAOYSA-N 0 1 244.338 3.395 20 0 BGADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccco1 ZINC000294980109 385935027 /nfs/dbraw/zinc/93/50/27/385935027.db2.gz JRJFBLJETHAEFC-NXEZZACHSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccco1 ZINC000294980111 177309386 /nfs/dbraw/zinc/30/93/86/177309386.db2.gz JRJFBLJETHAEFC-UWVGGRQHSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccco1 ZINC000294980113 177355108 /nfs/dbraw/zinc/35/51/08/177355108.db2.gz JRJFBLJETHAEFC-VHSXEESVSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccco1 ZINC000294980115 176359653 /nfs/dbraw/zinc/35/96/53/176359653.db2.gz JRJFBLJETHAEFC-ZJUUUORDSA-N 0 1 247.260 3.442 20 0 BGADMN CS[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000294991219 385936558 /nfs/dbraw/zinc/93/65/58/385936558.db2.gz HPGGASOMVJJCKN-GPAKFWEMSA-N 0 1 233.380 3.137 20 0 BGADMN CS[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000294991222 385937826 /nfs/dbraw/zinc/93/78/26/385937826.db2.gz HPGGASOMVJJCKN-LHRNQBEKSA-N 0 1 233.380 3.137 20 0 BGADMN C[C@H](NCC1=CCCCC1)c1nccs1 ZINC000294991250 385365298 /nfs/dbraw/zinc/36/52/98/385365298.db2.gz NARXFFJBWQBEBY-JTQLQIEISA-N 0 1 222.357 3.294 20 0 BGADMN C[C@@H](NCC1=CCCCC1)c1nccs1 ZINC000294991253 385363871 /nfs/dbraw/zinc/36/38/71/385363871.db2.gz NARXFFJBWQBEBY-SNVBAGLBSA-N 0 1 222.357 3.294 20 0 BGADMN CC/C=C/CNCc1cccc(O)c1Cl ZINC000295003820 388406584 /nfs/dbraw/zinc/40/65/84/388406584.db2.gz LOYQTEYDSFYRSN-ONEGZZNKSA-N 0 1 225.719 3.101 20 0 BGADMN CS[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000295015556 385944040 /nfs/dbraw/zinc/94/40/40/385944040.db2.gz JZMUXUUIBTVLGS-MRVPVSSYSA-N 0 1 247.816 3.339 20 0 BGADMN CS[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000295015559 385943637 /nfs/dbraw/zinc/94/36/37/385943637.db2.gz JZMUXUUIBTVLGS-QMMMGPOBSA-N 0 1 247.816 3.339 20 0 BGADMN FCC1CCN(Cc2ccc(F)cc2F)CC1 ZINC000295019641 180921943 /nfs/dbraw/zinc/92/19/43/180921943.db2.gz KLPDMNXQABKDFM-UHFFFAOYSA-N 0 1 243.272 3.146 20 0 BGADMN Cc1ccnc(NCCCc2ncccc2C)c1 ZINC000295035877 385951833 /nfs/dbraw/zinc/95/18/33/385951833.db2.gz SHWKVFNKUXHQFA-UHFFFAOYSA-N 0 1 241.338 3.138 20 0 BGADMN CC/C=C/CNCc1c(Cl)nc2ccccn21 ZINC000295038119 385951533 /nfs/dbraw/zinc/95/15/33/385951533.db2.gz MJQGISPBSNOUFZ-HWKANZROSA-N 0 1 249.745 3.044 20 0 BGADMN Cc1nocc1CN(C)[C@H](C)c1ccccc1 ZINC000295039101 385950080 /nfs/dbraw/zinc/95/00/80/385950080.db2.gz YEGGHSUPEJESOZ-GFCCVEGCSA-N 0 1 230.311 3.176 20 0 BGADMN Cc1nocc1CN(C)[C@@H](C)c1ccccc1 ZINC000295039105 385952022 /nfs/dbraw/zinc/95/20/22/385952022.db2.gz YEGGHSUPEJESOZ-LBPRGKRZSA-N 0 1 230.311 3.176 20 0 BGADMN Clc1ncccc1CNCC1=CCCCC1 ZINC000295047057 180602205 /nfs/dbraw/zinc/60/22/05/180602205.db2.gz FLXXYWJRBRZMHV-UHFFFAOYSA-N 0 1 236.746 3.325 20 0 BGADMN CC(=O)c1ccc(CN2CCC(CF)CC2)cc1 ZINC000295050758 398132120 /nfs/dbraw/zinc/13/21/20/398132120.db2.gz BJHPAPVVPYEEDB-UHFFFAOYSA-N 0 1 249.329 3.071 20 0 BGADMN C[C@@H](c1ccccn1)[N@@H+](C)CC1CC(F)(F)C1 ZINC000295053257 176026907 /nfs/dbraw/zinc/02/69/07/176026907.db2.gz XWQVOOBGAPSDFD-JTQLQIEISA-N 0 1 240.297 3.120 20 0 BGADMN Cc1ccnc(NCC(C)(C)c2ccccn2)c1 ZINC000295065299 385957087 /nfs/dbraw/zinc/95/70/87/385957087.db2.gz ZDLGFEUFZWUEOI-UHFFFAOYSA-N 0 1 241.338 3.175 20 0 BGADMN FC1(F)CCCC[C@@H]1CNCc1cscn1 ZINC000295072516 388408198 /nfs/dbraw/zinc/40/81/98/388408198.db2.gz HKPDGUXMGPSBGN-SECBINFHSA-N 0 1 246.326 3.058 20 0 BGADMN FC1(F)CCCC[C@H]1CNCc1cscn1 ZINC000295072521 388407799 /nfs/dbraw/zinc/40/77/99/388407799.db2.gz HKPDGUXMGPSBGN-VIFPVBQESA-N 0 1 246.326 3.058 20 0 BGADMN CC/C=C/CNCc1ccnc(Cl)c1Cl ZINC000295085747 385964788 /nfs/dbraw/zinc/96/47/88/385964788.db2.gz SNXPLDINLGAVAU-ONEGZZNKSA-N 0 1 245.153 3.444 20 0 BGADMN Fc1ccc(C2CC2)cc1CNCc1cc[nH]c1 ZINC000295095474 385964554 /nfs/dbraw/zinc/96/45/54/385964554.db2.gz JTEBMPRKQWNXQI-UHFFFAOYSA-N 0 1 244.313 3.321 20 0 BGADMN Cc1cnc(CNCC2=CCCCC2)s1 ZINC000295095586 388408531 /nfs/dbraw/zinc/40/85/31/388408531.db2.gz JVTHMIZGGLRHNP-UHFFFAOYSA-N 0 1 222.357 3.042 20 0 BGADMN Cc1nc(CNCC2=CCCCC2)cs1 ZINC000295103610 388408691 /nfs/dbraw/zinc/40/86/91/388408691.db2.gz KSZIAUGBLHAEPH-UHFFFAOYSA-N 0 1 222.357 3.042 20 0 BGADMN FCC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000295109361 385970109 /nfs/dbraw/zinc/97/01/09/385970109.db2.gz UUYCBVUDWLUAML-UHFFFAOYSA-N 0 1 243.272 3.146 20 0 BGADMN Cc1cn[nH]c1CNc1cccc(OC(C)C)c1 ZINC000295110925 385969618 /nfs/dbraw/zinc/96/96/18/385969618.db2.gz WDGIGZIWHCQZPT-UHFFFAOYSA-N 0 1 245.326 3.117 20 0 BGADMN CC/C=C/CNCc1cn2cc(Cl)ccc2n1 ZINC000295114589 388409303 /nfs/dbraw/zinc/40/93/03/388409303.db2.gz VPTFQCMKCTZANJ-ONEGZZNKSA-N 0 1 249.745 3.044 20 0 BGADMN CC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000295120971 188213792 /nfs/dbraw/zinc/21/37/92/188213792.db2.gz WSRYHOXGLNKZTC-NEPJUHHUSA-N 0 1 231.339 3.120 20 0 BGADMN CC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000295120974 187351683 /nfs/dbraw/zinc/35/16/83/187351683.db2.gz WSRYHOXGLNKZTC-NWDGAFQWSA-N 0 1 231.339 3.120 20 0 BGADMN CCc1ccccc1CN(C)Cc1ccccn1 ZINC000295132509 385975504 /nfs/dbraw/zinc/97/55/04/385975504.db2.gz JZNUXTYNIMHCKP-UHFFFAOYSA-N 0 1 240.350 3.276 20 0 BGADMN FCC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000295136159 385975775 /nfs/dbraw/zinc/97/57/75/385975775.db2.gz YUUXAMCTNHGVHX-UHFFFAOYSA-N 0 1 243.272 3.146 20 0 BGADMN CS[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000295140836 188394072 /nfs/dbraw/zinc/39/40/72/188394072.db2.gz ZOQJLFNVFIFMDS-SECBINFHSA-N 0 1 247.816 3.339 20 0 BGADMN CS[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000295140838 385978565 /nfs/dbraw/zinc/97/85/65/385978565.db2.gz ZOQJLFNVFIFMDS-VIFPVBQESA-N 0 1 247.816 3.339 20 0 BGADMN CS[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000295140838 385978558 /nfs/dbraw/zinc/97/85/58/385978558.db2.gz ZOQJLFNVFIFMDS-VIFPVBQESA-N 0 1 247.816 3.339 20 0 BGADMN CCc1nc(CNCC2=CCCCC2)cs1 ZINC000295144451 364778862 /nfs/dbraw/zinc/77/88/62/364778862.db2.gz QFWSJTVXEGMCOO-UHFFFAOYSA-N 0 1 236.384 3.296 20 0 BGADMN Cc1csc(CNCC2=CCCCC2)n1 ZINC000295153596 385980678 /nfs/dbraw/zinc/98/06/78/385980678.db2.gz RIDIFMCMHKOBED-UHFFFAOYSA-N 0 1 222.357 3.042 20 0 BGADMN CN(CCSC(C)(C)C)Cc1ccccn1 ZINC000295169369 385983645 /nfs/dbraw/zinc/98/36/45/385983645.db2.gz ODXAHYDMPMCKEV-UHFFFAOYSA-N 0 1 238.400 3.045 20 0 BGADMN CCc1cccc(CN(C)Cc2ccccn2)c1 ZINC000295180429 385983600 /nfs/dbraw/zinc/98/36/00/385983600.db2.gz POJOXQLUHSGKQF-UHFFFAOYSA-N 0 1 240.350 3.276 20 0 BGADMN Cc1ccc(CC[N@H+](C)Cc2ccccn2)cc1 ZINC000295199276 187351463 /nfs/dbraw/zinc/35/14/63/187351463.db2.gz SGXPGTZZUHDIIJ-UHFFFAOYSA-N 0 1 240.350 3.065 20 0 BGADMN Cc1cnc(CNCCSC(C)(C)C)s1 ZINC000295203517 385491060 /nfs/dbraw/zinc/49/10/60/385491060.db2.gz PJQISFASSYIWHA-UHFFFAOYSA-N 0 1 244.429 3.073 20 0 BGADMN CC(=O)c1cccc(CN2CCC(CF)CC2)c1 ZINC000295205785 385990953 /nfs/dbraw/zinc/99/09/53/385990953.db2.gz VZDGNIZLWFPDSU-UHFFFAOYSA-N 0 1 249.329 3.071 20 0 BGADMN Cc1nocc1CN1CCC[C@@H]1c1ccsc1 ZINC000295215999 385993992 /nfs/dbraw/zinc/99/39/92/385993992.db2.gz BDVDEEKUGDJDES-CYBMUJFWSA-N 0 1 248.351 3.382 20 0 BGADMN Cc1nocc1CN1CCC[C@H]1c1ccsc1 ZINC000295216000 385994042 /nfs/dbraw/zinc/99/40/42/385994042.db2.gz BDVDEEKUGDJDES-ZDUSSCGKSA-N 0 1 248.351 3.382 20 0 BGADMN CCn1ccnc1[C@@H](C)NCc1sccc1C ZINC000295223031 172228606 /nfs/dbraw/zinc/22/86/06/172228606.db2.gz MZSPYCLZRSPTAZ-LLVKDONJSA-N 0 1 249.383 3.124 20 0 BGADMN CCn1ccnc1[C@H](C)NCc1sccc1C ZINC000295223034 172229349 /nfs/dbraw/zinc/22/93/49/172229349.db2.gz MZSPYCLZRSPTAZ-NSHDSACASA-N 0 1 249.383 3.124 20 0 BGADMN CC/C(C)=C/C(=O)Nc1cc2cn[nH]c2cc1C ZINC000295225070 385994787 /nfs/dbraw/zinc/99/47/87/385994787.db2.gz WDEKJVDRCKPMBK-WEVVVXLNSA-N 0 1 243.310 3.166 20 0 BGADMN Cc1nocc1CN(C)[C@H](C)c1ccccc1C ZINC000295253295 179318173 /nfs/dbraw/zinc/31/81/73/179318173.db2.gz GGKWUTNNXQEOCO-CYBMUJFWSA-N 0 1 244.338 3.484 20 0 BGADMN Cc1nocc1CN(C)[C@@H](C)c1ccccc1C ZINC000295253296 179334450 /nfs/dbraw/zinc/33/44/50/179334450.db2.gz GGKWUTNNXQEOCO-ZDUSSCGKSA-N 0 1 244.338 3.484 20 0 BGADMN Cc1nocc1CN1CCc2ccccc2[C@H]1C ZINC000295274216 386002080 /nfs/dbraw/zinc/00/20/80/386002080.db2.gz HXSMTWNVZOLCLR-GFCCVEGCSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1nocc1CN1CCc2ccccc2[C@@H]1C ZINC000295274223 386003043 /nfs/dbraw/zinc/00/30/43/386003043.db2.gz HXSMTWNVZOLCLR-LBPRGKRZSA-N 0 1 242.322 3.102 20 0 BGADMN CCC(=O)CCCN1CCC=C(c2ccco2)C1 ZINC000295276862 168198253 /nfs/dbraw/zinc/19/82/53/168198253.db2.gz KBKWOQRYYGLDAO-UHFFFAOYSA-N 0 1 247.338 3.128 20 0 BGADMN CC(C)N(Cc1cccc(O)c1Cl)C1CC1 ZINC000295299859 188039272 /nfs/dbraw/zinc/03/92/72/188039272.db2.gz JUEYCMPWBGLHPB-UHFFFAOYSA-N 0 1 239.746 3.418 20 0 BGADMN C[C@H](C1CC1)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000295314409 386012421 /nfs/dbraw/zinc/01/24/21/386012421.db2.gz KVZPCVOMJWVYPD-SECBINFHSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@H](C1CC1)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000295314409 386012415 /nfs/dbraw/zinc/01/24/15/386012415.db2.gz KVZPCVOMJWVYPD-SECBINFHSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H](C1CC1)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000295314412 386012583 /nfs/dbraw/zinc/01/25/83/386012583.db2.gz KVZPCVOMJWVYPD-VIFPVBQESA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H](C1CC1)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000295314412 386012580 /nfs/dbraw/zinc/01/25/80/386012580.db2.gz KVZPCVOMJWVYPD-VIFPVBQESA-N 0 1 239.746 3.276 20 0 BGADMN CN(Cc1cccc(O)c1Cl)C1CCC1 ZINC000295348891 386018419 /nfs/dbraw/zinc/01/84/19/386018419.db2.gz NEAJZSHYFCHYPG-UHFFFAOYSA-N 0 1 225.719 3.030 20 0 BGADMN Cc1cc(CN(C)Cc2ccncc2)cs1 ZINC000295363682 386020303 /nfs/dbraw/zinc/02/03/03/386020303.db2.gz JHXQYZVYMADIFF-UHFFFAOYSA-N 0 1 232.352 3.084 20 0 BGADMN CC[N@H+](Cc1cccc([O-])c1Cl)CC1CC1 ZINC000295429484 352412705 /nfs/dbraw/zinc/41/27/05/352412705.db2.gz SWKHCMGZYOZNHR-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN CC[N@@H+](Cc1cccc([O-])c1Cl)CC1CC1 ZINC000295429484 352412701 /nfs/dbraw/zinc/41/27/01/352412701.db2.gz SWKHCMGZYOZNHR-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN CCC[C@@H](C(=O)NOC(C)C)c1ccccc1 ZINC000295442173 169345083 /nfs/dbraw/zinc/34/50/83/169345083.db2.gz 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BGADMN C[C@H]1CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000295494980 177110113 /nfs/dbraw/zinc/11/01/13/177110113.db2.gz XWVXUVDPDRPDPQ-VIFPVBQESA-N 0 1 225.719 3.030 20 0 BGADMN CCN(Cc1conc1C)Cc1ccccc1C ZINC000295497155 352415130 /nfs/dbraw/zinc/41/51/30/352415130.db2.gz YAYVFXRTUXNSJL-UHFFFAOYSA-N 0 1 244.338 3.314 20 0 BGADMN CCN(Cc1csc(C)c1)Cc1ccncc1 ZINC000295592086 386058364 /nfs/dbraw/zinc/05/83/64/386058364.db2.gz CCLDXTPTASATSG-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN CCCC[C@H](C)N(C)Cc1cc(F)ncc1F ZINC000295611669 352419447 /nfs/dbraw/zinc/41/94/47/352419447.db2.gz DTFNUBTZNMGQQV-JTQLQIEISA-N 0 1 242.313 3.370 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1cc(F)ncc1F ZINC000295611675 352419139 /nfs/dbraw/zinc/41/91/39/352419139.db2.gz DTFNUBTZNMGQQV-SNVBAGLBSA-N 0 1 242.313 3.370 20 0 BGADMN CC(=O)c1ccc(CN2CCC=C(C)C2)cc1 ZINC000295657901 187350951 /nfs/dbraw/zinc/35/09/51/187350951.db2.gz AMKPWQLFQQEDJR-UHFFFAOYSA-N 0 1 229.323 3.041 20 0 BGADMN CC(=O)c1ccc(C[N@H+]2CCC=C(C)C2)cc1 ZINC000295657901 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C[C@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000307300686 490659661 /nfs/dbraw/zinc/65/96/61/490659661.db2.gz WGWSLWCEDQXLHY-DTWKUNHWSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000307300688 490659430 /nfs/dbraw/zinc/65/94/30/490659430.db2.gz WGWSLWCEDQXLHY-IUCAKERBSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000307300690 490659318 /nfs/dbraw/zinc/65/93/18/490659318.db2.gz WGWSLWCEDQXLHY-RKDXNWHRSA-N 0 1 205.292 3.198 20 0 BGADMN CC1(C)SC[C@H]1NCc1cscc1Cl ZINC000307353913 487793164 /nfs/dbraw/zinc/79/31/64/487793164.db2.gz RZJPNIPGONTWKD-SECBINFHSA-N 0 1 247.816 3.385 20 0 BGADMN CC1(C)SC[C@@H]1NCc1cscc1Cl ZINC000307353915 487792814 /nfs/dbraw/zinc/79/28/14/487792814.db2.gz RZJPNIPGONTWKD-VIFPVBQESA-N 0 1 247.816 3.385 20 0 BGADMN CN(Cc1ccsc1Cl)C1CCC1 ZINC000307359348 385681229 /nfs/dbraw/zinc/68/12/29/385681229.db2.gz DMFJELQWSROZNP-UHFFFAOYSA-N 0 1 215.749 3.386 20 0 BGADMN Cc1nccc(NCC[C@@H](C)F)c1Cl ZINC000307369760 180199478 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HZTINECFHBJMBM-OPRDCNLKSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H]1CCC[C@H](NCC(C)(F)F)[C@H]1C ZINC000307422359 323181347 /nfs/dbraw/zinc/18/13/47/323181347.db2.gz HZTINECFHBJMBM-UTLUCORTSA-N 0 1 205.292 3.056 20 0 BGADMN CC1(C)CCCN1C/C(Cl)=C/Cl ZINC000307427185 635989074 /nfs/dbraw/zinc/98/90/74/635989074.db2.gz QZXQTQXHKWGWSN-VURMDHGXSA-N 0 1 208.132 3.180 20 0 BGADMN C[C@H]1CCCCN(C/C(Cl)=C/Cl)C1 ZINC000307439841 635989086 /nfs/dbraw/zinc/98/90/86/635989086.db2.gz XGMWDXGQCOBNSO-LKJZUNMESA-N 0 1 222.159 3.427 20 0 BGADMN C[C@@H]1CCCCN(C/C(Cl)=C/Cl)C1 ZINC000307439842 635989499 /nfs/dbraw/zinc/98/94/99/635989499.db2.gz XGMWDXGQCOBNSO-WPVMNKCKSA-N 0 1 222.159 3.427 20 0 BGADMN CC1CCC(NC(C)(C)C(F)F)CC1 ZINC000307443279 491133530 /nfs/dbraw/zinc/13/35/30/491133530.db2.gz BGSCIKIFIUNKQE-UHFFFAOYSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H]1[C@H](C)CN(Cc2cnc(Cl)s2)[C@H]1C ZINC000307460116 643480728 /nfs/dbraw/zinc/48/07/28/643480728.db2.gz FCUKAFYPLIYPRM-HLTSFMKQSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnc(Cl)s1 ZINC000307460117 643479215 /nfs/dbraw/zinc/47/92/15/643479215.db2.gz FCUKAFYPLIYPRM-HRDYMLBCSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@H]1[C@@H](C)N(Cc2cnc(Cl)s2)C[C@H]1C ZINC000307460119 643480117 /nfs/dbraw/zinc/48/01/17/643480117.db2.gz FCUKAFYPLIYPRM-IWSPIJDZSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@@H]1CN(Cc2cnc(Cl)s2)[C@@H](C)[C@H]1C ZINC000307460120 643480857 /nfs/dbraw/zinc/48/08/57/643480857.db2.gz FCUKAFYPLIYPRM-VGMNWLOBSA-N 0 1 244.791 3.273 20 0 BGADMN Clc1ncc(CN2CC[C@@H](C3CC3)C2)s1 ZINC000307464471 387530161 /nfs/dbraw/zinc/53/01/61/387530161.db2.gz ITRNYOJTYSQXDL-SECBINFHSA-N 0 1 242.775 3.028 20 0 BGADMN Clc1ncc(CN2CC[C@H](C3CC3)C2)s1 ZINC000307464478 387529336 /nfs/dbraw/zinc/52/93/36/387529336.db2.gz ITRNYOJTYSQXDL-VIFPVBQESA-N 0 1 242.775 3.028 20 0 BGADMN CC1=C(Br)CN(C[C@H]2C[C@H]2C)CC1 ZINC000307495715 635989551 /nfs/dbraw/zinc/98/95/51/635989551.db2.gz BRKBILJRLCJWOR-NXEZZACHSA-N 0 1 244.176 3.017 20 0 BGADMN CC1=C(Br)CN(C[C@@H]2C[C@@H]2C)CC1 ZINC000307495718 643487696 /nfs/dbraw/zinc/48/76/96/643487696.db2.gz BRKBILJRLCJWOR-UWVGGRQHSA-N 0 1 244.176 3.017 20 0 BGADMN CC1=C(Br)CN(C[C@H]2C[C@@H]2C)CC1 ZINC000307495719 643488774 /nfs/dbraw/zinc/48/87/74/643488774.db2.gz BRKBILJRLCJWOR-VHSXEESVSA-N 0 1 244.176 3.017 20 0 BGADMN CC1=C(Br)CN(C[C@@H]2C[C@H]2C)CC1 ZINC000307495722 643489041 /nfs/dbraw/zinc/48/90/41/643489041.db2.gz BRKBILJRLCJWOR-ZJUUUORDSA-N 0 1 244.176 3.017 20 0 BGADMN C[C@@H](NC1CCCCCC1)C(C)(F)F ZINC000307500744 411514343 /nfs/dbraw/zinc/51/43/43/411514343.db2.gz ULZJLBBOYMBBTF-SECBINFHSA-N 0 1 205.292 3.343 20 0 BGADMN C[C@H](NC1CCCCCC1)C(C)(F)F ZINC000307500745 388424378 /nfs/dbraw/zinc/42/43/78/388424378.db2.gz ULZJLBBOYMBBTF-VIFPVBQESA-N 0 1 205.292 3.343 20 0 BGADMN CSC[C@@H](C)Nc1ccnc(C)c1Cl ZINC000307521804 386703021 /nfs/dbraw/zinc/70/30/21/386703021.db2.gz WLYHOKGNOJZMFZ-SSDOTTSWSA-N 0 1 230.764 3.207 20 0 BGADMN CSC[C@H](C)Nc1ccnc(C)c1Cl ZINC000307521805 386702389 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OFNWVRITQPYNNH-KYHHOPLUSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H]1CCN1Cc1ccc(Cl)s1 ZINC000307635160 171025540 /nfs/dbraw/zinc/02/55/40/171025540.db2.gz UUXXSRKHISLWMC-MRVPVSSYSA-N 0 1 215.749 3.386 20 0 BGADMN CC[C@H]1CCN1Cc1ccc(Cl)s1 ZINC000307635161 487980602 /nfs/dbraw/zinc/98/06/02/487980602.db2.gz UUXXSRKHISLWMC-QMMMGPOBSA-N 0 1 215.749 3.386 20 0 BGADMN CC1(C)SC[C@H]1NCc1ccsc1Cl ZINC000307637324 385746891 /nfs/dbraw/zinc/74/68/91/385746891.db2.gz YGMPJTTWOMTVGA-MRVPVSSYSA-N 0 1 247.816 3.385 20 0 BGADMN CC1(C)SC[C@@H]1NCc1ccsc1Cl ZINC000307637325 187318495 /nfs/dbraw/zinc/31/84/95/187318495.db2.gz YGMPJTTWOMTVGA-QMMMGPOBSA-N 0 1 247.816 3.385 20 0 BGADMN CCCCN1CCC(C)=C(Br)C1 ZINC000307668744 635992883 /nfs/dbraw/zinc/99/28/83/635992883.db2.gz QXQFCPKIIIARQJ-UHFFFAOYSA-N 0 1 232.165 3.161 20 0 BGADMN CC[C@@H]1CCN(C/C(Cl)=C/Cl)C1 ZINC000307671205 643567322 /nfs/dbraw/zinc/56/73/22/643567322.db2.gz WLQNSLITXMFDNT-CPJBWDMUSA-N 0 1 208.132 3.037 20 0 BGADMN CC[C@H]1CCN(C/C(Cl)=C/Cl)C1 ZINC000307671206 643566740 /nfs/dbraw/zinc/56/67/40/643566740.db2.gz WLQNSLITXMFDNT-HXOPTJOXSA-N 0 1 208.132 3.037 20 0 BGADMN CC1=C(Br)CN(CC2CCC2)CC1 ZINC000307674394 643566474 /nfs/dbraw/zinc/56/64/74/643566474.db2.gz DVHGQAWTEDVVTI-UHFFFAOYSA-N 0 1 244.176 3.161 20 0 BGADMN C[C@@H]1CC[C@H](NCC(C)(F)F)[C@H](C)C1 ZINC000307695346 323340702 /nfs/dbraw/zinc/34/07/02/323340702.db2.gz JIBMOXLQLLOWPX-BBBLOLIVSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H]1CC[C@@H](NCC(C)(F)F)[C@@H](C)C1 ZINC000307695347 323340692 /nfs/dbraw/zinc/34/06/92/323340692.db2.gz JIBMOXLQLLOWPX-KXUCPTDWSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H]1CC[C@@H](NCC(C)(F)F)[C@H](C)C1 ZINC000307695543 323340768 /nfs/dbraw/zinc/34/07/68/323340768.db2.gz JIBMOXLQLLOWPX-OPRDCNLKSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H]1CC[C@H](NCC(C)(F)F)[C@@H](C)C1 ZINC000307695545 323340458 /nfs/dbraw/zinc/34/04/58/323340458.db2.gz JIBMOXLQLLOWPX-UTLUCORTSA-N 0 1 205.292 3.056 20 0 BGADMN FC1(F)CC(NCc2ccsc2Cl)C1 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BGADMN CC(C)c1ccc(N2N=C3CCC[C@H]3C2=O)cc1 ZINC000307987058 397976841 /nfs/dbraw/zinc/97/68/41/397976841.db2.gz PJHYPMOVDWITQV-CYBMUJFWSA-N 0 1 242.322 3.313 20 0 BGADMN CC(C)c1ccc(-n2[nH]c3c(c2=O)CCC3)cc1 ZINC000307987059 397976801 /nfs/dbraw/zinc/97/68/01/397976801.db2.gz PJHYPMOVDWITQV-ZDUSSCGKSA-N 0 1 242.322 3.313 20 0 BGADMN CC(C)c1ccc(N2N=C3CCC[C@@H]3C2=O)cc1 ZINC000307987059 397976797 /nfs/dbraw/zinc/97/67/97/397976797.db2.gz PJHYPMOVDWITQV-ZDUSSCGKSA-N 0 1 242.322 3.313 20 0 BGADMN CCCCCN1CCC=C(Br)C1 ZINC000307987964 642328701 /nfs/dbraw/zinc/32/87/01/642328701.db2.gz RTXZGQYLYPNFCD-UHFFFAOYSA-N 0 1 232.165 3.161 20 0 BGADMN CCCCC[N@H+]1CCC=C(Br)C1 ZINC000307987964 642328695 /nfs/dbraw/zinc/32/86/95/642328695.db2.gz RTXZGQYLYPNFCD-UHFFFAOYSA-N 0 1 232.165 3.161 20 0 BGADMN CCc1ccc(-n2[nH]c3c(c2=O)CCCC3)cc1 ZINC000307988134 385608075 /nfs/dbraw/zinc/60/80/75/385608075.db2.gz SACJQGJWRABEJC-CYBMUJFWSA-N 0 1 242.322 3.142 20 0 BGADMN CCc1ccc(N2N=C3CCCC[C@H]3C2=O)cc1 ZINC000307988134 385608068 /nfs/dbraw/zinc/60/80/68/385608068.db2.gz SACJQGJWRABEJC-CYBMUJFWSA-N 0 1 242.322 3.142 20 0 BGADMN CCc1ccc(-n2[nH]c3c(c2=O)CCCC3)cc1 ZINC000307988136 385370892 /nfs/dbraw/zinc/37/08/92/385370892.db2.gz SACJQGJWRABEJC-ZDUSSCGKSA-N 0 1 242.322 3.142 20 0 BGADMN CCc1ccc(N2N=C3CCCC[C@@H]3C2=O)cc1 ZINC000307988136 385370889 /nfs/dbraw/zinc/37/08/89/385370889.db2.gz SACJQGJWRABEJC-ZDUSSCGKSA-N 0 1 242.322 3.142 20 0 BGADMN CC[C@@H]1CCCN1C/C(Cl)=C\Cl ZINC000308010451 711503122 /nfs/dbraw/zinc/50/31/22/711503122.db2.gz MHZLCFKUPOLBCH-BNICOGTQSA-N 0 1 208.132 3.180 20 0 BGADMN CC[C@H]1CCCN1C/C(Cl)=C\Cl ZINC000308010452 711503245 /nfs/dbraw/zinc/50/32/45/711503245.db2.gz MHZLCFKUPOLBCH-ORZBULNSSA-N 0 1 208.132 3.180 20 0 BGADMN CC[C@H](CC(C)C)c1nc([C@H]2CCCN2)no1 ZINC000308063948 411494838 /nfs/dbraw/zinc/49/48/38/411494838.db2.gz VCFRGWDBYBDZQL-GHMZBOCLSA-N 0 1 237.347 3.034 20 0 BGADMN CC[C@H](CC(C)C)c1nc([C@@H]2CCCN2)no1 ZINC000308063949 411495486 /nfs/dbraw/zinc/49/54/86/411495486.db2.gz VCFRGWDBYBDZQL-MNOVXSKESA-N 0 1 237.347 3.034 20 0 BGADMN CC[C@@H](CC(C)C)c1nc([C@@H]2CCCN2)no1 ZINC000308063950 411495364 /nfs/dbraw/zinc/49/53/64/411495364.db2.gz VCFRGWDBYBDZQL-QWRGUYRKSA-N 0 1 237.347 3.034 20 0 BGADMN CC[C@@H](CC(C)C)c1nc([C@H]2CCCN2)no1 ZINC000308063951 411495497 /nfs/dbraw/zinc/49/54/97/411495497.db2.gz VCFRGWDBYBDZQL-WDEREUQCSA-N 0 1 237.347 3.034 20 0 BGADMN CC(C)CN(C/C=C/Cl)C/C=C\Cl ZINC000308142560 642435107 /nfs/dbraw/zinc/43/51/07/642435107.db2.gz JPQOLTCBAWCAQY-CIIODKQPSA-N 0 1 222.159 3.449 20 0 BGADMN CC(C)CN(C/C=C/Cl)C/C=C/Cl ZINC000308142561 642433977 /nfs/dbraw/zinc/43/39/77/642433977.db2.gz JPQOLTCBAWCAQY-GGWOSOGESA-N 0 1 222.159 3.449 20 0 BGADMN CC(C)CN(C/C=C\Cl)C/C=C\Cl ZINC000308142562 642433354 /nfs/dbraw/zinc/43/33/54/642433354.db2.gz JPQOLTCBAWCAQY-GLIMQPGKSA-N 0 1 222.159 3.449 20 0 BGADMN CC(C)CN(C)Cc1cscc1Cl ZINC000308161581 491135100 /nfs/dbraw/zinc/13/51/00/491135100.db2.gz VGJSASINIJVPJD-UHFFFAOYSA-N 0 1 217.765 3.489 20 0 BGADMN CC(C)C[N@@H+](C)Cc1cscc1Cl ZINC000308161581 491135099 /nfs/dbraw/zinc/13/50/99/491135099.db2.gz VGJSASINIJVPJD-UHFFFAOYSA-N 0 1 217.765 3.489 20 0 BGADMN CC(C)(CF)NCc1ccc(Cl)s1 ZINC000308165205 188186205 /nfs/dbraw/zinc/18/62/05/188186205.db2.gz XGSDYFNKEGCCRA-UHFFFAOYSA-N 0 1 221.728 3.239 20 0 BGADMN CC(C)[C@H]1CCCN1C/C(Cl)=C\Cl ZINC000308167975 642476073 /nfs/dbraw/zinc/47/60/73/642476073.db2.gz YJYLMSMWBFOCCY-OLKPEBQYSA-N 0 1 222.159 3.426 20 0 BGADMN CC(C)[C@@H]1CCCN1C/C(Cl)=C\Cl ZINC000308168475 642476107 /nfs/dbraw/zinc/47/61/07/642476107.db2.gz YJYLMSMWBFOCCY-ZKXNXJMVSA-N 0 1 222.159 3.426 20 0 BGADMN Cl/C=C(\Cl)CN1CCCC12CCC2 ZINC000308192700 636093804 /nfs/dbraw/zinc/09/38/04/636093804.db2.gz PJCKOQKRSGATHC-CLFYSBASSA-N 0 1 220.143 3.324 20 0 BGADMN CC(C)[C@@H]1CCN(C/C(Cl)=C\Cl)C1 ZINC000308228579 354962933 /nfs/dbraw/zinc/96/29/33/354962933.db2.gz FSJPVQKXEUHFKP-RAJVOEEQSA-N 0 1 222.159 3.283 20 0 BGADMN 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/nfs/dbraw/zinc/29/55/46/631295546.db2.gz KIPGAURHAJCIPE-QCHKVSTKSA-N 0 1 222.159 3.426 20 0 BGADMN CC[C@@H]1C[C@H](C)CN1C/C(Cl)=C\Cl ZINC000308355043 711517033 /nfs/dbraw/zinc/51/70/33/711517033.db2.gz KIPGAURHAJCIPE-UHHLUOIISA-N 0 1 222.159 3.426 20 0 BGADMN CC[C@@H]1C[C@H](C)C[N@H+]1C/C(Cl)=C\Cl ZINC000308355043 711517032 /nfs/dbraw/zinc/51/70/32/711517032.db2.gz KIPGAURHAJCIPE-UHHLUOIISA-N 0 1 222.159 3.426 20 0 BGADMN Cl/C=C(\Cl)CN1CC[C@@H]2CCC[C@@H]21 ZINC000308375527 631312367 /nfs/dbraw/zinc/31/23/67/631312367.db2.gz NDCSFAFADSVQOC-ABUIULPASA-N 0 1 220.143 3.180 20 0 BGADMN CC[C@@H]1[C@H](C)CCN1C/C(Cl)=C\Cl ZINC000308407760 355440657 /nfs/dbraw/zinc/44/06/57/355440657.db2.gz KLLGVXRFZRLEOE-GCWOIFJASA-N 0 1 222.159 3.426 20 0 BGADMN CC[C@@H]1[C@@H](C)CCN1C/C(Cl)=C\Cl ZINC000308407761 355440631 /nfs/dbraw/zinc/44/06/31/355440631.db2.gz KLLGVXRFZRLEOE-YSPXFBHJSA-N 0 1 222.159 3.426 20 0 BGADMN CCN(C/C(Cl)=C/Cl)CC1CCC1 ZINC000308485861 631392339 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IVNYSJBIEZQHTD-NXEZZACHSA-N 0 1 205.292 3.198 20 0 BGADMN CC(C)C[C@H](C)N[C@H]1CCCC1(F)F ZINC000308506382 538116854 /nfs/dbraw/zinc/11/68/54/538116854.db2.gz IVNYSJBIEZQHTD-UWVGGRQHSA-N 0 1 205.292 3.198 20 0 BGADMN CC(C)C[C@H](C)N[C@@H]1CCCC1(F)F ZINC000308506384 538116848 /nfs/dbraw/zinc/11/68/48/538116848.db2.gz IVNYSJBIEZQHTD-VHSXEESVSA-N 0 1 205.292 3.198 20 0 BGADMN CC(C)C[C@@H](C)N[C@H]1CCCC1(F)F ZINC000308506385 491136683 /nfs/dbraw/zinc/13/66/83/491136683.db2.gz IVNYSJBIEZQHTD-ZJUUUORDSA-N 0 1 205.292 3.198 20 0 BGADMN CC(C)(C)CCN[C@@H]1CCCC1(F)F ZINC000308513133 491136765 /nfs/dbraw/zinc/13/67/65/491136765.db2.gz LOHHSCWDXSFJON-SECBINFHSA-N 0 1 205.292 3.200 20 0 BGADMN CC(C)(C)CCN[C@H]1CCCC1(F)F ZINC000308513134 491136777 /nfs/dbraw/zinc/13/67/77/491136777.db2.gz LOHHSCWDXSFJON-VIFPVBQESA-N 0 1 205.292 3.200 20 0 BGADMN CCC(C)(C)OCCNc1cc(C)ccn1 ZINC000308514097 256799060 /nfs/dbraw/zinc/79/90/60/256799060.db2.gz QQAQHQKOPXIAAU-UHFFFAOYSA-N 0 1 222.332 3.007 20 0 BGADMN CC(C)(CF)NCc1ccc(Cl)cc1 ZINC000308514603 386542535 /nfs/dbraw/zinc/54/25/35/386542535.db2.gz MFOUVXXFIYQBBE-UHFFFAOYSA-N 0 1 215.699 3.178 20 0 BGADMN CC(C)(NCC1CCCCC1)C(F)F ZINC000308514612 538116876 /nfs/dbraw/zinc/11/68/76/538116876.db2.gz MFTPPKWBYLTPQQ-UHFFFAOYSA-N 0 1 205.292 3.200 20 0 BGADMN CC(C)(CF)NCc1cccc(Cl)c1 ZINC000308521028 188191990 /nfs/dbraw/zinc/19/19/90/188191990.db2.gz OVGBIXCISHSWPV-UHFFFAOYSA-N 0 1 215.699 3.178 20 0 BGADMN Cc1cc(CN[C@@H](C)CF)ccc1Cl ZINC000308522359 384774500 /nfs/dbraw/zinc/77/45/00/384774500.db2.gz ULOWWSWLWHGGQZ-VIFPVBQESA-N 0 1 215.699 3.096 20 0 BGADMN CCC(CC)CN[C@H]1CCCC1(F)F ZINC000308523737 491136871 /nfs/dbraw/zinc/13/68/71/491136871.db2.gz QCFPTHJNLIYKSO-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CCC(CC)CN[C@@H]1CCCC1(F)F ZINC000308523739 583013405 /nfs/dbraw/zinc/01/34/05/583013405.db2.gz QCFPTHJNLIYKSO-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN FC(F)(F)CCNCc1ccsc1Cl ZINC000308527762 384784908 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3.200 20 0 BGADMN CCC[C@H]1CCCC[C@@H]1NCC(F)F ZINC000308579759 491137180 /nfs/dbraw/zinc/13/71/80/491137180.db2.gz GAFLYGYMONVKFW-UWVGGRQHSA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@H]1CCCC[C@H]1NCC(F)F ZINC000308579760 491137159 /nfs/dbraw/zinc/13/71/59/491137159.db2.gz GAFLYGYMONVKFW-VHSXEESVSA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@@H]1CCCC[C@@H]1NCC(F)F ZINC000308579761 491137165 /nfs/dbraw/zinc/13/71/65/491137165.db2.gz GAFLYGYMONVKFW-ZJUUUORDSA-N 0 1 205.292 3.200 20 0 BGADMN CC(C)(NCCF)c1cccc(Cl)c1 ZINC000308641112 383844265 /nfs/dbraw/zinc/84/42/65/383844265.db2.gz DTSXYWZWXBLGIE-UHFFFAOYSA-N 0 1 215.699 3.134 20 0 BGADMN Cc1cc(Cl)ccc1CN[C@H](C)CF ZINC000308643414 178066435 /nfs/dbraw/zinc/06/64/35/178066435.db2.gz GBYGTIDQLNVMJO-SECBINFHSA-N 0 1 215.699 3.096 20 0 BGADMN Cc1cc(Cl)ccc1CN[C@@H](C)CF ZINC000308643415 178067111 /nfs/dbraw/zinc/06/71/11/178067111.db2.gz GBYGTIDQLNVMJO-VIFPVBQESA-N 0 1 215.699 3.096 20 0 BGADMN CSCCCNc1ccnc(C)c1Cl ZINC000308648915 384888853 /nfs/dbraw/zinc/88/88/53/384888853.db2.gz IWIWUUYWLVZQLN-UHFFFAOYSA-N 0 1 230.764 3.208 20 0 BGADMN C[C@@H](NC(C)(C)C(F)F)C1CCCC1 ZINC000308649069 491137614 /nfs/dbraw/zinc/13/76/14/491137614.db2.gz JGQNDLCUVDZVPQ-MRVPVSSYSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@H](NC(C)(C)C(F)F)C1CCCC1 ZINC000308649070 491137617 /nfs/dbraw/zinc/13/76/17/491137617.db2.gz JGQNDLCUVDZVPQ-QMMMGPOBSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@H](NCC(F)F)[C@@H]1CCC[C@@H](C)C1 ZINC000308650459 409899973 /nfs/dbraw/zinc/89/99/73/409899973.db2.gz KCCLWRXQFDNQEY-KXUCPTDWSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H](NCC(F)F)[C@H]1CCC[C@@H](C)C1 ZINC000308650461 410729565 /nfs/dbraw/zinc/72/95/65/410729565.db2.gz KCCLWRXQFDNQEY-UTLUCORTSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1ccc(Cl)nc1 ZINC000308657691 631468152 /nfs/dbraw/zinc/46/81/52/631468152.db2.gz OTTTZRFUEOLMDK-ZTHSNPKKSA-N 0 1 231.126 3.138 20 0 BGADMN CC(C)=CCCNCc1ncc(Cl)s1 ZINC000308677886 384917308 /nfs/dbraw/zinc/91/73/08/384917308.db2.gz WSHLYVXCTAPBOC-UHFFFAOYSA-N 0 1 230.764 3.242 20 0 BGADMN CSc1ccccc1[C@@H](C)NCCF ZINC000308689784 384033898 /nfs/dbraw/zinc/03/38/98/384033898.db2.gz GFBPMYCVYWDOAL-SECBINFHSA-N 0 1 213.321 3.029 20 0 BGADMN CSc1ccccc1[C@H](C)NCCF ZINC000308689785 384916086 /nfs/dbraw/zinc/91/60/86/384916086.db2.gz GFBPMYCVYWDOAL-VIFPVBQESA-N 0 1 213.321 3.029 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@@]2(C)CCCC[C@H]2C)n1 ZINC000308714747 534197723 /nfs/dbraw/zinc/19/77/23/534197723.db2.gz OBKXZJBIAHWAHW-ABAIWWIYSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@]2(C)CCCC[C@H]2C)n1 ZINC000308714748 534198840 /nfs/dbraw/zinc/19/88/40/534198840.db2.gz OBKXZJBIAHWAHW-IAQYHMDHSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@@]2(C)CCCC[C@@H]2C)n1 ZINC000308714749 534197710 /nfs/dbraw/zinc/19/77/10/534197710.db2.gz OBKXZJBIAHWAHW-NHYWBVRUSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1ccc([O-])c(C[NH2+][C@]2(C)CCCC[C@@H]2C)n1 ZINC000308714751 534197735 /nfs/dbraw/zinc/19/77/35/534197735.db2.gz OBKXZJBIAHWAHW-XHDPSFHLSA-N 0 1 248.370 3.154 20 0 BGADMN CCc1ccc(CNCCOC(C)(C)CC)o1 ZINC000308725324 529651824 /nfs/dbraw/zinc/65/18/24/529651824.db2.gz GHOKEZDNOZMWGT-UHFFFAOYSA-N 0 1 239.359 3.137 20 0 BGADMN Cc1cc(Cl)cc(C)c1CNCCF ZINC000308747551 178064102 /nfs/dbraw/zinc/06/41/02/178064102.db2.gz SCMJZHXKDZHETA-UHFFFAOYSA-N 0 1 215.699 3.016 20 0 BGADMN COc1ccccc1[C@@H](C)NC/C=C\Cl ZINC000308773066 631640256 /nfs/dbraw/zinc/64/02/56/631640256.db2.gz UNTYSXSFFMWVID-DAGBOUIGSA-N 0 1 225.719 3.098 20 0 BGADMN Cc1nccc(NCc2nccs2)c1Cl ZINC000308789431 180202936 /nfs/dbraw/zinc/20/29/36/180202936.db2.gz ARYPRXIXBPPUBL-UHFFFAOYSA-N 0 1 239.731 3.112 20 0 BGADMN CSC1(CNc2ccnc(C)c2Cl)CC1 ZINC000308806249 175455262 /nfs/dbraw/zinc/45/52/62/175455262.db2.gz GCCWPEMZHSVVAR-UHFFFAOYSA-N 0 1 242.775 3.351 20 0 BGADMN Fc1ccc(CN2CCCCC2)cc1Cl ZINC000308809866 385178684 /nfs/dbraw/zinc/17/86/84/385178684.db2.gz BYSARSKYIJYRRU-UHFFFAOYSA-N 0 1 227.710 3.465 20 0 BGADMN CC(C)N(Cc1csc(Cl)n1)CC1CC1 ZINC000308820189 631708991 /nfs/dbraw/zinc/70/89/91/631708991.db2.gz QILPPOIKOLEDIA-UHFFFAOYSA-N 0 1 244.791 3.417 20 0 BGADMN CC(C)c1cnc(CN[C@H]2CC2(C)C)s1 ZINC000308822733 385191369 /nfs/dbraw/zinc/19/13/69/385191369.db2.gz CPSCJYLYXKZKOX-JTQLQIEISA-N 0 1 224.373 3.155 20 0 BGADMN CC(C)c1cnc(CN[C@@H]2CC2(C)C)s1 ZINC000308822734 187994263 /nfs/dbraw/zinc/99/42/63/187994263.db2.gz CPSCJYLYXKZKOX-SNVBAGLBSA-N 0 1 224.373 3.155 20 0 BGADMN Cc1nccc(NCc2cscn2)c1Cl ZINC000308824452 582895597 /nfs/dbraw/zinc/89/55/97/582895597.db2.gz KNCVMEJPSVCPTH-UHFFFAOYSA-N 0 1 239.731 3.112 20 0 BGADMN CC(C)(CF)NCc1ccc(Cl)c(F)c1 ZINC000308826539 385194836 /nfs/dbraw/zinc/19/48/36/385194836.db2.gz AJNZTFYDUVCHOE-UHFFFAOYSA-N 0 1 233.689 3.317 20 0 BGADMN C[C@@H]1C[C@]1(NCCF)c1ccc(Cl)cc1 ZINC000308829676 229252041 /nfs/dbraw/zinc/25/20/41/229252041.db2.gz FVELNJRSKWPJCN-BXKDBHETSA-N 0 1 227.710 3.134 20 0 BGADMN C[C@H]1C[C@@]1(NCCF)c1ccc(Cl)cc1 ZINC000308829677 229251211 /nfs/dbraw/zinc/25/12/11/229251211.db2.gz FVELNJRSKWPJCN-CABZTGNLSA-N 0 1 227.710 3.134 20 0 BGADMN C[C@H]1C[C@]1(NCCF)c1ccc(Cl)cc1 ZINC000308829678 229250865 /nfs/dbraw/zinc/25/08/65/229250865.db2.gz FVELNJRSKWPJCN-JOYOIKCWSA-N 0 1 227.710 3.134 20 0 BGADMN C[C@@H]1C[C@@]1(NCCF)c1ccc(Cl)cc1 ZINC000308829679 533759743 /nfs/dbraw/zinc/75/97/43/533759743.db2.gz FVELNJRSKWPJCN-SKDRFNHKSA-N 0 1 227.710 3.134 20 0 BGADMN Cc1ccnc(NC[C@@H](C)C(F)(F)F)c1 ZINC000308834454 385200439 /nfs/dbraw/zinc/20/04/39/385200439.db2.gz HNXJPURKCUURCF-MRVPVSSYSA-N 0 1 218.222 3.000 20 0 BGADMN Cc1ccnc(NC[C@H](C)C(F)(F)F)c1 ZINC000308834455 385201580 /nfs/dbraw/zinc/20/15/80/385201580.db2.gz HNXJPURKCUURCF-QMMMGPOBSA-N 0 1 218.222 3.000 20 0 BGADMN C[C@H](CF)NCc1ccc(C(F)F)cc1 ZINC000308834490 491138662 /nfs/dbraw/zinc/13/86/62/491138662.db2.gz HOSPDRAHGCNXBR-MRVPVSSYSA-N 0 1 217.234 3.072 20 0 BGADMN C[C@@H](CF)NCc1ccc(C(F)F)cc1 ZINC000308834491 409909985 /nfs/dbraw/zinc/90/99/85/409909985.db2.gz HOSPDRAHGCNXBR-QMMMGPOBSA-N 0 1 217.234 3.072 20 0 BGADMN Cc1csc([C@H](C)NCCSC(C)C)n1 ZINC000308839074 385212076 /nfs/dbraw/zinc/21/20/76/385212076.db2.gz XWJLJSMQWUBIOP-JTQLQIEISA-N 0 1 244.429 3.244 20 0 BGADMN Cc1csc([C@@H](C)NCCSC(C)C)n1 ZINC000308839076 384341067 /nfs/dbraw/zinc/34/10/67/384341067.db2.gz XWJLJSMQWUBIOP-SNVBAGLBSA-N 0 1 244.429 3.244 20 0 BGADMN Cc1ccc(CNCc2csc(C)c2)o1 ZINC000308839400 491049043 /nfs/dbraw/zinc/04/90/43/491049043.db2.gz MTNOAJITJMOAQT-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN CC[C@@H](F)CN[C@@H](C)c1cc(C)oc1C ZINC000308846025 385207350 /nfs/dbraw/zinc/20/73/50/385207350.db2.gz AEUZHPBTCNMHSB-GXSJLCMTSA-N 0 1 213.296 3.295 20 0 BGADMN CC[C@H](F)CN[C@H](C)c1cc(C)oc1C ZINC000308846026 385208341 /nfs/dbraw/zinc/20/83/41/385208341.db2.gz AEUZHPBTCNMHSB-KOLCDFICSA-N 0 1 213.296 3.295 20 0 BGADMN CC[C@@H](F)CN[C@H](C)c1cc(C)oc1C ZINC000308846027 385206410 /nfs/dbraw/zinc/20/64/10/385206410.db2.gz AEUZHPBTCNMHSB-MWLCHTKSSA-N 0 1 213.296 3.295 20 0 BGADMN CC[C@H](F)CN[C@@H](C)c1cc(C)oc1C ZINC000308846028 171475356 /nfs/dbraw/zinc/47/53/56/171475356.db2.gz AEUZHPBTCNMHSB-ONGXEEELSA-N 0 1 213.296 3.295 20 0 BGADMN C[C@@H](CCC1CC1)N[C@@H]1CCCC1(F)F ZINC000308858277 491139141 /nfs/dbraw/zinc/13/91/41/491139141.db2.gz QRKAYAKBTCVBQI-GXSJLCMTSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](CCC1CC1)N[C@H]1CCCC1(F)F ZINC000308858280 491139147 /nfs/dbraw/zinc/13/91/47/491139147.db2.gz QRKAYAKBTCVBQI-KOLCDFICSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](CCC1CC1)N[C@@H]1CCCC1(F)F ZINC000308858282 491139162 /nfs/dbraw/zinc/13/91/62/491139162.db2.gz QRKAYAKBTCVBQI-MWLCHTKSSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@@H](CCC1CC1)N[C@H]1CCCC1(F)F ZINC000308858285 491049173 /nfs/dbraw/zinc/04/91/73/491049173.db2.gz QRKAYAKBTCVBQI-ONGXEEELSA-N 0 1 217.303 3.343 20 0 BGADMN Cc1nccc(N2CCCCCC2)c1Cl ZINC000308859615 385223100 /nfs/dbraw/zinc/22/31/00/385223100.db2.gz OZNLPGCPNUCCQS-UHFFFAOYSA-N 0 1 224.735 3.424 20 0 BGADMN C[C@H](N[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000308873856 491139509 /nfs/dbraw/zinc/13/95/09/491139509.db2.gz RUKVBPAMLQPNNQ-GXSJLCMTSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@@H](N[C@H]1CCCC1(F)F)C1CCCC1 ZINC000308873869 491139501 /nfs/dbraw/zinc/13/95/01/491139501.db2.gz RUKVBPAMLQPNNQ-KOLCDFICSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@@H](N[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000308873884 491139512 /nfs/dbraw/zinc/13/95/12/491139512.db2.gz RUKVBPAMLQPNNQ-MWLCHTKSSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](N[C@H]1CCCC1(F)F)C1CCCC1 ZINC000308873897 491139486 /nfs/dbraw/zinc/13/94/86/491139486.db2.gz RUKVBPAMLQPNNQ-ONGXEEELSA-N 0 1 217.303 3.343 20 0 BGADMN Cc1nccc(NCc2ccco2)c1Cl ZINC000308874697 180203369 /nfs/dbraw/zinc/20/33/69/180203369.db2.gz UGBKZFUTMRHIGC-UHFFFAOYSA-N 0 1 222.675 3.249 20 0 BGADMN FC1(F)CCC[C@H]1NC1CCCCCC1 ZINC000308881579 491139574 /nfs/dbraw/zinc/13/95/74/491139574.db2.gz QLDARKDDFTZXNW-LLVKDONJSA-N 0 1 217.303 3.487 20 0 BGADMN FC1(F)CCC[C@@H]1NC1CCCCCC1 ZINC000308881581 491139553 /nfs/dbraw/zinc/13/95/53/491139553.db2.gz QLDARKDDFTZXNW-NSHDSACASA-N 0 1 217.303 3.487 20 0 BGADMN Cn1cccc1CNCc1cscc1Cl ZINC000308883695 631717272 /nfs/dbraw/zinc/71/72/72/631717272.db2.gz RJPIGXRJCPRLSM-UHFFFAOYSA-N 0 1 240.759 3.030 20 0 BGADMN FC1(F)CCC[C@H]1NC[C@@H]1CC=CCC1 ZINC000308887293 491139703 /nfs/dbraw/zinc/13/97/03/491139703.db2.gz UQQGGHMKWWCHNW-GHMZBOCLSA-N 0 1 215.287 3.120 20 0 BGADMN FC1(F)CCC[C@@H]1NC[C@@H]1CC=CCC1 ZINC000308887294 491139736 /nfs/dbraw/zinc/13/97/36/491139736.db2.gz UQQGGHMKWWCHNW-MNOVXSKESA-N 0 1 215.287 3.120 20 0 BGADMN FC1(F)CCC[C@@H]1NC[C@H]1CC=CCC1 ZINC000308887295 491139714 /nfs/dbraw/zinc/13/97/14/491139714.db2.gz UQQGGHMKWWCHNW-QWRGUYRKSA-N 0 1 215.287 3.120 20 0 BGADMN FC1(F)CCC[C@H]1NC[C@H]1CC=CCC1 ZINC000308887296 491139698 /nfs/dbraw/zinc/13/96/98/491139698.db2.gz UQQGGHMKWWCHNW-WDEREUQCSA-N 0 1 215.287 3.120 20 0 BGADMN FC1(F)CCC[C@H]1N[C@@H]1CCC12CCC2 ZINC000308888469 491139767 /nfs/dbraw/zinc/13/97/67/491139767.db2.gz VHUHMDAVMGHHGC-NXEZZACHSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@H]1CCC12CCC2 ZINC000308888472 491139740 /nfs/dbraw/zinc/13/97/40/491139740.db2.gz VHUHMDAVMGHHGC-UWVGGRQHSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@H]1N[C@H]1CCC12CCC2 ZINC000308888474 491139753 /nfs/dbraw/zinc/13/97/53/491139753.db2.gz VHUHMDAVMGHHGC-VHSXEESVSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC12CCC2 ZINC000308888477 491139769 /nfs/dbraw/zinc/13/97/69/491139769.db2.gz VHUHMDAVMGHHGC-ZJUUUORDSA-N 0 1 215.287 3.097 20 0 BGADMN Clc1cnc(CN[C@@H]2CC23CCCC3)s1 ZINC000308888975 385245164 /nfs/dbraw/zinc/24/51/64/385245164.db2.gz VRDKNSYSNZOHHM-MRVPVSSYSA-N 0 1 242.775 3.219 20 0 BGADMN Clc1cnc(CN[C@H]2CC23CCCC3)s1 ZINC000308888976 385244387 /nfs/dbraw/zinc/24/43/87/385244387.db2.gz VRDKNSYSNZOHHM-QMMMGPOBSA-N 0 1 242.775 3.219 20 0 BGADMN C[C@H](CCC1CC1)NCc1ncc(Cl)s1 ZINC000308889556 176616646 /nfs/dbraw/zinc/61/66/46/176616646.db2.gz XAZVEYVFHWZFIN-MRVPVSSYSA-N 0 1 244.791 3.465 20 0 BGADMN C[C@@H](CCC1CC1)NCc1ncc(Cl)s1 ZINC000308889558 385244734 /nfs/dbraw/zinc/24/47/34/385244734.db2.gz XAZVEYVFHWZFIN-QMMMGPOBSA-N 0 1 244.791 3.465 20 0 BGADMN C[C@H](CN[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000308891354 491139806 /nfs/dbraw/zinc/13/98/06/491139806.db2.gz XSHQASFXTMBBQY-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](CN[C@H]1CCCC1(F)F)C(C)(C)C ZINC000308891356 491139830 /nfs/dbraw/zinc/13/98/30/491139830.db2.gz XSHQASFXTMBBQY-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](CN[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000308891358 491139804 /nfs/dbraw/zinc/13/98/04/491139804.db2.gz XSHQASFXTMBBQY-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H](CN[C@H]1CCCC1(F)F)C(C)(C)C ZINC000308891360 491139822 /nfs/dbraw/zinc/13/98/22/491139822.db2.gz XSHQASFXTMBBQY-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN Cn1ccc(CNCc2ccsc2Cl)c1 ZINC000308893545 385248138 /nfs/dbraw/zinc/24/81/38/385248138.db2.gz YGCDLCLCURZDCZ-UHFFFAOYSA-N 0 1 240.759 3.030 20 0 BGADMN FCCCCNC1(C(F)F)CCCCC1 ZINC000308893648 385248238 /nfs/dbraw/zinc/24/82/38/385248238.db2.gz YNOXGKFJMAUKFT-UHFFFAOYSA-N 0 1 223.282 3.294 20 0 BGADMN Cc1nccc(NCCC(F)(F)F)c1Cl ZINC000308894484 385246988 /nfs/dbraw/zinc/24/69/88/385246988.db2.gz YYLQMCZLKXKAOW-UHFFFAOYSA-N 0 1 238.640 3.408 20 0 BGADMN C[C@@H](CF)NCc1ccc(C(F)(F)F)s1 ZINC000308895064 385247585 /nfs/dbraw/zinc/24/75/85/385247585.db2.gz ZBRCYGVXLCSBCI-LURJTMIESA-N 0 1 241.253 3.215 20 0 BGADMN C[C@H](CF)NCc1ccc(C(F)(F)F)s1 ZINC000308895065 385247912 /nfs/dbraw/zinc/24/79/12/385247912.db2.gz ZBRCYGVXLCSBCI-ZCFIWIBFSA-N 0 1 241.253 3.215 20 0 BGADMN Clc1cnc(CN[C@H]2CC[C@@H]2C2CC2)s1 ZINC000308895150 631716587 /nfs/dbraw/zinc/71/65/87/631716587.db2.gz ZKIMBTGPVPHSJH-BDAKNGLRSA-N 0 1 242.775 3.075 20 0 BGADMN Clc1cnc(CN[C@@H]2CC[C@H]2C2CC2)s1 ZINC000308895151 631717281 /nfs/dbraw/zinc/71/72/81/631717281.db2.gz ZKIMBTGPVPHSJH-DTWKUNHWSA-N 0 1 242.775 3.075 20 0 BGADMN Clc1cnc(CN[C@H]2CC[C@H]2C2CC2)s1 ZINC000308895152 632103276 /nfs/dbraw/zinc/10/32/76/632103276.db2.gz ZKIMBTGPVPHSJH-IUCAKERBSA-N 0 1 242.775 3.075 20 0 BGADMN Clc1cnc(CN[C@@H]2CC[C@@H]2C2CC2)s1 ZINC000308895153 631716099 /nfs/dbraw/zinc/71/60/99/631716099.db2.gz ZKIMBTGPVPHSJH-RKDXNWHRSA-N 0 1 242.775 3.075 20 0 BGADMN FC1(F)CCC[C@H]1NCC1CCCCC1 ZINC000308895164 491049541 /nfs/dbraw/zinc/04/95/41/491049541.db2.gz ZKTOXHJHWUDOAB-LLVKDONJSA-N 0 1 217.303 3.344 20 0 BGADMN FC1(F)CCC[C@@H]1NCC1CCCCC1 ZINC000308895165 491049547 /nfs/dbraw/zinc/04/95/47/491049547.db2.gz ZKTOXHJHWUDOAB-NSHDSACASA-N 0 1 217.303 3.344 20 0 BGADMN FCCN[C@H]1CCSc2c(Cl)cccc21 ZINC000308898228 491139918 /nfs/dbraw/zinc/13/99/18/491139918.db2.gz AWISUPANTBOMAM-JTQLQIEISA-N 0 1 245.750 3.436 20 0 BGADMN FCCN[C@@H]1CCSc2c(Cl)cccc21 ZINC000308898230 491139921 /nfs/dbraw/zinc/13/99/21/491139921.db2.gz AWISUPANTBOMAM-SNVBAGLBSA-N 0 1 245.750 3.436 20 0 BGADMN CC[C@@H](F)CNC1(c2ccccc2)CC1 ZINC000308906286 170858696 /nfs/dbraw/zinc/85/86/96/170858696.db2.gz COVJBIWTBATOIU-GFCCVEGCSA-N 0 1 207.292 3.013 20 0 BGADMN CC[C@H](F)CNC1(c2ccccc2)CC1 ZINC000308906288 385282179 /nfs/dbraw/zinc/28/21/79/385282179.db2.gz COVJBIWTBATOIU-LBPRGKRZSA-N 0 1 207.292 3.013 20 0 BGADMN FC1(CCNCc2ncc(Cl)s2)CCC1 ZINC000308908929 385284464 /nfs/dbraw/zinc/28/44/64/385284464.db2.gz RKILLJLEGLADAT-UHFFFAOYSA-N 0 1 248.754 3.168 20 0 BGADMN CCSc1cccc(CN[C@@H](C)CF)c1 ZINC000308911860 385286280 /nfs/dbraw/zinc/28/62/80/385286280.db2.gz XLXKOHHIMDORQJ-JTQLQIEISA-N 0 1 227.348 3.246 20 0 BGADMN Cc1ccnc(NCCSCC(C)C)c1 ZINC000308917425 385290285 /nfs/dbraw/zinc/29/02/85/385290285.db2.gz BLRJYVVEUPLAFQ-UHFFFAOYSA-N 0 1 224.373 3.191 20 0 BGADMN C[C@@H](F)CCNC1(C(F)F)CCCCC1 ZINC000308918636 229258285 /nfs/dbraw/zinc/25/82/85/229258285.db2.gz BQZKIXAKLBYBQI-SECBINFHSA-N 0 1 223.282 3.292 20 0 BGADMN C[C@H](F)CCNC1(C(F)F)CCCCC1 ZINC000308918637 229258294 /nfs/dbraw/zinc/25/82/94/229258294.db2.gz BQZKIXAKLBYBQI-VIFPVBQESA-N 0 1 223.282 3.292 20 0 BGADMN CC(C)[C@@H]1CC[C@H]1N[C@H]1CCCC1(F)F ZINC000308920491 631743439 /nfs/dbraw/zinc/74/34/39/631743439.db2.gz CDHKDOIPRJCWTF-AXFHLTTASA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)[C@@H]1CC[C@@H]1N[C@H]1CCCC1(F)F ZINC000308920494 632443608 /nfs/dbraw/zinc/44/36/08/632443608.db2.gz CDHKDOIPRJCWTF-DCAQKATOSA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000308920496 632443365 /nfs/dbraw/zinc/44/33/65/632443365.db2.gz CDHKDOIPRJCWTF-GARJFASQSA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)[C@@H]1CC[C@H]1N[C@@H]1CCCC1(F)F ZINC000308920498 632442785 /nfs/dbraw/zinc/44/27/85/632442785.db2.gz CDHKDOIPRJCWTF-HBNTYKKESA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)(C)CNc1ccc2nc[nH]c2c1 ZINC000308930068 385301206 /nfs/dbraw/zinc/30/12/06/385301206.db2.gz FDMRBNAPVTUJOC-UHFFFAOYSA-N 0 1 203.289 3.021 20 0 BGADMN CC[C@H](CC(F)(F)F)NCc1ccco1 ZINC000308936575 385305420 /nfs/dbraw/zinc/30/54/20/385305420.db2.gz KYNKHLGKHNXYMJ-MRVPVSSYSA-N 0 1 221.222 3.100 20 0 BGADMN CC[C@@H](CC(F)(F)F)NCc1ccco1 ZINC000308936577 385305330 /nfs/dbraw/zinc/30/53/30/385305330.db2.gz KYNKHLGKHNXYMJ-QMMMGPOBSA-N 0 1 221.222 3.100 20 0 BGADMN C[C@@H](CF)NCc1cscc1C(F)(F)F ZINC000308943429 385298490 /nfs/dbraw/zinc/29/84/90/385298490.db2.gz REFKFLMWOTZIQC-LURJTMIESA-N 0 1 241.253 3.215 20 0 BGADMN CCC1CC(N[C@H](C)c2csc(C)n2)C1 ZINC000308948837 385309319 /nfs/dbraw/zinc/30/93/19/385309319.db2.gz ONLBNWXMKFXCSZ-MFAVDMRSSA-N 0 1 224.373 3.291 20 0 BGADMN CCC1CC(N[C@@H](C)c2csc(C)n2)C1 ZINC000308948838 385309119 /nfs/dbraw/zinc/30/91/19/385309119.db2.gz ONLBNWXMKFXCSZ-PUSIOWJLSA-N 0 1 224.373 3.291 20 0 BGADMN COc1ccccc1[C@H](C)NC/C=C\Cl ZINC000308964691 632593920 /nfs/dbraw/zinc/59/39/20/632593920.db2.gz UNTYSXSFFMWVID-NVDWLVSRSA-N 0 1 225.719 3.098 20 0 BGADMN Cc1nccc(NCc2ccoc2)c1Cl ZINC000308971853 385328474 /nfs/dbraw/zinc/32/84/74/385328474.db2.gz AQTYCFMFYQITRP-UHFFFAOYSA-N 0 1 222.675 3.249 20 0 BGADMN C[C@@H](N[C@@H]1CC12CCCC2)c1nccs1 ZINC000308974863 385329226 /nfs/dbraw/zinc/32/92/26/385329226.db2.gz GIFUHXDYEQHOGG-NXEZZACHSA-N 0 1 222.357 3.126 20 0 BGADMN C[C@H](N[C@H]1CC12CCCC2)c1nccs1 ZINC000308974866 385329804 /nfs/dbraw/zinc/32/98/04/385329804.db2.gz GIFUHXDYEQHOGG-UWVGGRQHSA-N 0 1 222.357 3.126 20 0 BGADMN C[C@H](N[C@@H]1CC12CCCC2)c1nccs1 ZINC000308974868 385329959 /nfs/dbraw/zinc/32/99/59/385329959.db2.gz GIFUHXDYEQHOGG-VHSXEESVSA-N 0 1 222.357 3.126 20 0 BGADMN C[C@@H](N[C@H]1CC12CCCC2)c1nccs1 ZINC000308974871 385330485 /nfs/dbraw/zinc/33/04/85/385330485.db2.gz GIFUHXDYEQHOGG-ZJUUUORDSA-N 0 1 222.357 3.126 20 0 BGADMN Cc1nccc(NC[C@H]2CCCS2)c1Cl ZINC000308975064 180200343 /nfs/dbraw/zinc/20/03/43/180200343.db2.gz BSCSYQUEBNYYAP-SECBINFHSA-N 0 1 242.775 3.351 20 0 BGADMN Cc1nccc(NC[C@@H]2CCCS2)c1Cl ZINC000308975065 180201825 /nfs/dbraw/zinc/20/18/25/180201825.db2.gz BSCSYQUEBNYYAP-VIFPVBQESA-N 0 1 242.775 3.351 20 0 BGADMN CC(C)(N[C@@H]1CC[C@@H]1C1CCC1)C(F)F ZINC000308981811 487604476 /nfs/dbraw/zinc/60/44/76/487604476.db2.gz IKCFORJJGKXOSP-NXEZZACHSA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)(N[C@H]1CC[C@H]1C1CCC1)C(F)F ZINC000308981812 487604266 /nfs/dbraw/zinc/60/42/66/487604266.db2.gz IKCFORJJGKXOSP-UWVGGRQHSA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)(N[C@@H]1CC[C@H]1C1CCC1)C(F)F ZINC000308981813 487604529 /nfs/dbraw/zinc/60/45/29/487604529.db2.gz IKCFORJJGKXOSP-VHSXEESVSA-N 0 1 217.303 3.198 20 0 BGADMN CC(C)(N[C@H]1CC[C@@H]1C1CCC1)C(F)F ZINC000308981814 487604382 /nfs/dbraw/zinc/60/43/82/487604382.db2.gz IKCFORJJGKXOSP-ZJUUUORDSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@@H](NC(C)(C)C(F)F)C1CCSCC1 ZINC000308985246 491141855 /nfs/dbraw/zinc/14/18/55/491141855.db2.gz JLRRCQJKWBIEDK-MRVPVSSYSA-N 0 1 237.359 3.151 20 0 BGADMN C[C@H](NC(C)(C)C(F)F)C1CCSCC1 ZINC000308985248 491141852 /nfs/dbraw/zinc/14/18/52/491141852.db2.gz JLRRCQJKWBIEDK-QMMMGPOBSA-N 0 1 237.359 3.151 20 0 BGADMN Cc1nc([C@@H](C)NC2(C3CC3)CC2)cs1 ZINC000308988036 349266995 /nfs/dbraw/zinc/26/69/95/349266995.db2.gz KGHUNSCEQRKXCL-MRVPVSSYSA-N 0 1 222.357 3.045 20 0 BGADMN Cc1nc([C@H](C)NC2(C3CC3)CC2)cs1 ZINC000308988037 349267276 /nfs/dbraw/zinc/26/72/76/349267276.db2.gz KGHUNSCEQRKXCL-QMMMGPOBSA-N 0 1 222.357 3.045 20 0 BGADMN Cc1nccc(NCc2cncs2)c1Cl ZINC000308989135 491141891 /nfs/dbraw/zinc/14/18/91/491141891.db2.gz HOESFYMAOZFLQO-UHFFFAOYSA-N 0 1 239.731 3.112 20 0 BGADMN C[C@@H](NC1CSC1)c1ccc(F)cc1Cl ZINC000308989261 488001898 /nfs/dbraw/zinc/00/18/98/488001898.db2.gz KPWHAONFRCKBIR-SSDOTTSWSA-N 0 1 245.750 3.245 20 0 BGADMN C[C@H](NC1CSC1)c1ccc(F)cc1Cl ZINC000308989263 410835900 /nfs/dbraw/zinc/83/59/00/410835900.db2.gz KPWHAONFRCKBIR-ZETCQYMHSA-N 0 1 245.750 3.245 20 0 BGADMN C[C@@H](CCC(F)(F)F)NC(C)(C)C(F)F ZINC000308996693 491142039 /nfs/dbraw/zinc/14/20/39/491142039.db2.gz MUEDOZOUUHQYER-LURJTMIESA-N 0 1 233.224 3.351 20 0 BGADMN C[C@H](CCC(F)(F)F)NC(C)(C)C(F)F ZINC000308996694 491051143 /nfs/dbraw/zinc/05/11/43/491051143.db2.gz MUEDOZOUUHQYER-ZCFIWIBFSA-N 0 1 233.224 3.351 20 0 BGADMN CC(C)(NCc1cncs1)c1cccs1 ZINC000308997577 385337648 /nfs/dbraw/zinc/33/76/48/385337648.db2.gz NBAZCDVOSKWUGD-UHFFFAOYSA-N 0 1 238.381 3.230 20 0 BGADMN CC(C)(NC1CCC2(CC2)CC1)C(F)F ZINC000309004347 491142156 /nfs/dbraw/zinc/14/21/56/491142156.db2.gz PCLNBROAUYKKRP-UHFFFAOYSA-N 0 1 217.303 3.343 20 0 BGADMN CC(C)(CF)NCc1ccc(F)c(Cl)c1 ZINC000309007211 187651429 /nfs/dbraw/zinc/65/14/29/187651429.db2.gz QGPLOFBUBNMBBI-UHFFFAOYSA-N 0 1 233.689 3.317 20 0 BGADMN CC(C)C1CC(NCc2ncc(Cl)s2)C1 ZINC000309007746 631799358 /nfs/dbraw/zinc/79/93/58/631799358.db2.gz QMWPIYRUMGJLDP-UHFFFAOYSA-N 0 1 244.791 3.321 20 0 BGADMN CC(C)CC[C@H]1CCC[C@H]1NCC(F)F ZINC000309010533 527860052 /nfs/dbraw/zinc/86/00/52/527860052.db2.gz RSPHQULFFQJCSI-GHMZBOCLSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)CC[C@H]1CCC[C@@H]1NCC(F)F ZINC000309010535 527858428 /nfs/dbraw/zinc/85/84/28/527858428.db2.gz RSPHQULFFQJCSI-MNOVXSKESA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)CC[C@@H]1CCC[C@@H]1NCC(F)F ZINC000309010537 527824068 /nfs/dbraw/zinc/82/40/68/527824068.db2.gz RSPHQULFFQJCSI-QWRGUYRKSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)CC[C@@H]1CCC[C@H]1NCC(F)F ZINC000309010538 527826873 /nfs/dbraw/zinc/82/68/73/527826873.db2.gz RSPHQULFFQJCSI-WDEREUQCSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](N[C@H](C)c1ccc[nH]1)c1ccoc1 ZINC000309014436 631799482 /nfs/dbraw/zinc/79/94/82/631799482.db2.gz TVQOTLPCFUJXEA-NXEZZACHSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@H](N[C@@H](C)c1ccc[nH]1)c1ccoc1 ZINC000309014438 631799823 /nfs/dbraw/zinc/79/98/23/631799823.db2.gz TVQOTLPCFUJXEA-UWVGGRQHSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccc[nH]1 ZINC000309014440 631798676 /nfs/dbraw/zinc/79/86/76/631798676.db2.gz TVQOTLPCFUJXEA-VHSXEESVSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccoc1 ZINC000309014441 631799496 /nfs/dbraw/zinc/79/94/96/631799496.db2.gz TVQOTLPCFUJXEA-ZJUUUORDSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@@H](NC1(C(F)F)CC1)C1CCCCC1 ZINC000309024411 533328512 /nfs/dbraw/zinc/32/85/12/533328512.db2.gz ZATGWKSSFKABHG-SECBINFHSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](NC1(C(F)F)CC1)C1CCCCC1 ZINC000309024413 533789584 /nfs/dbraw/zinc/78/95/84/533789584.db2.gz ZATGWKSSFKABHG-VIFPVBQESA-N 0 1 217.303 3.343 20 0 BGADMN C[C@@H](N[C@H](C)c1ccco1)c1ccc[nH]1 ZINC000309024479 631803902 /nfs/dbraw/zinc/80/39/02/631803902.db2.gz ZCEHFEGALPATGP-NXEZZACHSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@H](N[C@@H](C)c1ccco1)c1ccc[nH]1 ZINC000309024483 631804076 /nfs/dbraw/zinc/80/40/76/631804076.db2.gz ZCEHFEGALPATGP-UWVGGRQHSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccco1 ZINC000309024486 631805007 /nfs/dbraw/zinc/80/50/07/631805007.db2.gz ZCEHFEGALPATGP-VHSXEESVSA-N 0 1 204.273 3.020 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc[nH]1 ZINC000309024488 631804736 /nfs/dbraw/zinc/80/47/36/631804736.db2.gz ZCEHFEGALPATGP-ZJUUUORDSA-N 0 1 204.273 3.020 20 0 BGADMN C/C=C/CN[C@H](C)c1cc(F)ccc1F ZINC000309028541 491142648 /nfs/dbraw/zinc/14/26/48/491142648.db2.gz CEYLNJZVHIFXJE-CDAZIORVSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C/CN[C@@H](C)c1cc(F)ccc1F ZINC000309028543 491142641 /nfs/dbraw/zinc/14/26/41/491142641.db2.gz CEYLNJZVHIFXJE-NWALNABHSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C\CN[C@@H](C)c1cc(F)ccc1F ZINC000309028545 491051977 /nfs/dbraw/zinc/05/19/77/491051977.db2.gz CEYLNJZVHIFXJE-TYRPZCRBSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C\CN[C@H](C)c1cc(F)ccc1F ZINC000309028547 491142599 /nfs/dbraw/zinc/14/25/99/491142599.db2.gz CEYLNJZVHIFXJE-ZBJFTSOASA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C/CN[C@H](C)c1ccc(F)cc1F ZINC000309032535 410852895 /nfs/dbraw/zinc/85/28/95/410852895.db2.gz FURAQGWUOXOXRW-CDAZIORVSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C\CN[C@H](C)c1ccc(F)cc1F ZINC000309032536 410203725 /nfs/dbraw/zinc/20/37/25/410203725.db2.gz FURAQGWUOXOXRW-ZBJFTSOASA-N 0 1 211.255 3.192 20 0 BGADMN CCSc1ccc([C@H](C)NCCF)cc1 ZINC000309033879 385380866 /nfs/dbraw/zinc/38/08/66/385380866.db2.gz GUIFBXHCCAANEO-JTQLQIEISA-N 0 1 227.348 3.419 20 0 BGADMN CCSc1ccc([C@@H](C)NCCF)cc1 ZINC000309033881 385380802 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ZINC000309361300 385553137 /nfs/dbraw/zinc/55/31/37/385553137.db2.gz ALXBWDGVYVSESF-SECBINFHSA-N 0 1 241.404 3.323 20 0 BGADMN Cc1nnc([C@H](C)NCCCC(C)(C)C)s1 ZINC000309361302 385552951 /nfs/dbraw/zinc/55/29/51/385552951.db2.gz ALXBWDGVYVSESF-VIFPVBQESA-N 0 1 241.404 3.323 20 0 BGADMN CC(C)c1nnc(CNCCC(C)(C)C)s1 ZINC000309363892 385551604 /nfs/dbraw/zinc/55/16/04/385551604.db2.gz PDDVCHAPKRVXGD-UHFFFAOYSA-N 0 1 241.404 3.187 20 0 BGADMN CC(C)c1cnc(CN[C@H](C)C(C)(C)C)o1 ZINC000309365744 632980712 /nfs/dbraw/zinc/98/07/12/632980712.db2.gz PMYDGOBUMNANNE-SNVBAGLBSA-N 0 1 224.348 3.322 20 0 BGADMN CCC[C@@](C)(O)CNc1ccnc(C)c1Cl ZINC000309376017 385555979 /nfs/dbraw/zinc/55/59/79/385555979.db2.gz QFXKGYMEHOITLL-GFCCVEGCSA-N 0 1 242.750 3.006 20 0 BGADMN CCC[C@](C)(O)CNc1ccnc(C)c1Cl ZINC000309376408 385555870 /nfs/dbraw/zinc/55/58/70/385555870.db2.gz QFXKGYMEHOITLL-LBPRGKRZSA-N 0 1 242.750 3.006 20 0 BGADMN C[C@@H](NCCCC1CCCC1)c1ccon1 ZINC000309381947 385556626 /nfs/dbraw/zinc/55/66/26/385556626.db2.gz DKYRXYJAVGDBAH-LLVKDONJSA-N 0 1 222.332 3.296 20 0 BGADMN C[C@H](NCCCC1CCCC1)c1ccon1 ZINC000309381949 385557013 /nfs/dbraw/zinc/55/70/13/385557013.db2.gz DKYRXYJAVGDBAH-NSHDSACASA-N 0 1 222.332 3.296 20 0 BGADMN Cc1nccc(NC[C@@H]2CCCCO2)c1Cl ZINC000309382959 180201223 /nfs/dbraw/zinc/20/12/23/180201223.db2.gz RDVUTZMNBXLJIL-JTQLQIEISA-N 0 1 240.734 3.024 20 0 BGADMN Cc1nccc(NC[C@H]2CCCCO2)c1Cl ZINC000309382960 180200529 /nfs/dbraw/zinc/20/05/29/180200529.db2.gz RDVUTZMNBXLJIL-SNVBAGLBSA-N 0 1 240.734 3.024 20 0 BGADMN CC(C)=CCCNCc1csc(C2CC2)n1 ZINC000309394687 385560976 /nfs/dbraw/zinc/56/09/76/385560976.db2.gz VBGUNATYYSPIRV-UHFFFAOYSA-N 0 1 236.384 3.466 20 0 BGADMN CC[C@H]1C[C@]1(NCCF)c1cccc(C)c1 ZINC000309409878 383976774 /nfs/dbraw/zinc/97/67/74/383976774.db2.gz BOXSKNHLBQBKHX-GXTWGEPZSA-N 0 1 221.319 3.179 20 0 BGADMN CC[C@H]1C[C@@]1(NCCF)c1cccc(C)c1 ZINC000309409879 383977767 /nfs/dbraw/zinc/97/77/67/383977767.db2.gz BOXSKNHLBQBKHX-JSGCOSHPSA-N 0 1 221.319 3.179 20 0 BGADMN CC[C@@H]1C[C@@]1(NCCF)c1cccc(C)c1 ZINC000309409880 383976498 /nfs/dbraw/zinc/97/64/98/383976498.db2.gz BOXSKNHLBQBKHX-OCCSQVGLSA-N 0 1 221.319 3.179 20 0 BGADMN CC[C@@H]1C[C@]1(NCCF)c1cccc(C)c1 ZINC000309409881 383977728 /nfs/dbraw/zinc/97/77/28/383977728.db2.gz BOXSKNHLBQBKHX-TZMCWYRMSA-N 0 1 221.319 3.179 20 0 BGADMN CC1CC(N[C@H]2COc3cccc(Cl)c32)C1 ZINC000309420064 168147889 /nfs/dbraw/zinc/14/78/89/168147889.db2.gz JTTYDCMYHALEDN-AMUVOQDHSA-N 0 1 237.730 3.162 20 0 BGADMN CC1CC(N[C@@H]2COc3cccc(Cl)c32)C1 ZINC000309420066 168148589 /nfs/dbraw/zinc/14/85/89/168148589.db2.gz JTTYDCMYHALEDN-NWGYLPEXSA-N 0 1 237.730 3.162 20 0 BGADMN CCc1cnc(CN[C@@H]2CC23CCCC3)s1 ZINC000309424358 398213529 /nfs/dbraw/zinc/21/35/29/398213529.db2.gz FCEVUBLXCWARCI-LLVKDONJSA-N 0 1 236.384 3.128 20 0 BGADMN CCc1cnc(CN[C@H]2CC23CCCC3)s1 ZINC000309424362 347059702 /nfs/dbraw/zinc/05/97/02/347059702.db2.gz FCEVUBLXCWARCI-NSHDSACASA-N 0 1 236.384 3.128 20 0 BGADMN CCOc1ccccc1[C@@H](CC)NCCF ZINC000309432367 385580573 /nfs/dbraw/zinc/58/05/73/385580573.db2.gz GMDJVIGBALWTNQ-GFCCVEGCSA-N 0 1 225.307 3.096 20 0 BGADMN CCOc1ccccc1[C@H](CC)NCCF ZINC000309432369 384554561 /nfs/dbraw/zinc/55/45/61/384554561.db2.gz GMDJVIGBALWTNQ-LBPRGKRZSA-N 0 1 225.307 3.096 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccccc1Cl ZINC000309443086 350497674 /nfs/dbraw/zinc/49/76/74/350497674.db2.gz JBIVUWXNFBTXCY-JIMOISOXSA-N 0 1 239.746 3.168 20 0 BGADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccccc1Cl ZINC000309443087 347063400 /nfs/dbraw/zinc/06/34/00/347063400.db2.gz JBIVUWXNFBTXCY-OASPWFOLSA-N 0 1 239.746 3.168 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccccc1Cl ZINC000309443088 347063443 /nfs/dbraw/zinc/06/34/43/347063443.db2.gz JBIVUWXNFBTXCY-TVYUQYBPSA-N 0 1 239.746 3.168 20 0 BGADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccccc1Cl ZINC000309443089 347063427 /nfs/dbraw/zinc/06/34/27/347063427.db2.gz JBIVUWXNFBTXCY-ZWKOPEQDSA-N 0 1 239.746 3.168 20 0 BGADMN CC[C@@H](C)[C@@H](C)NCc1ncc(C2CC2)o1 ZINC000309444697 385583808 /nfs/dbraw/zinc/58/38/08/385583808.db2.gz JLRHNQNODBSTKB-NXEZZACHSA-N 0 1 222.332 3.076 20 0 BGADMN CC[C@H](C)[C@H](C)NCc1ncc(C2CC2)o1 ZINC000309444699 171389932 /nfs/dbraw/zinc/38/99/32/171389932.db2.gz JLRHNQNODBSTKB-UWVGGRQHSA-N 0 1 222.332 3.076 20 0 BGADMN CC[C@H](C)[C@@H](C)NCc1ncc(C2CC2)o1 ZINC000309444700 171365856 /nfs/dbraw/zinc/36/58/56/171365856.db2.gz JLRHNQNODBSTKB-VHSXEESVSA-N 0 1 222.332 3.076 20 0 BGADMN CC[C@@H](C)[C@H](C)NCc1ncc(C2CC2)o1 ZINC000309444702 385584244 /nfs/dbraw/zinc/58/42/44/385584244.db2.gz JLRHNQNODBSTKB-ZJUUUORDSA-N 0 1 222.332 3.076 20 0 BGADMN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1nccs1 ZINC000309446830 385586383 /nfs/dbraw/zinc/58/63/83/385586383.db2.gz LONCACKBGDKFEW-BDAKNGLRSA-N 0 1 246.326 3.372 20 0 BGADMN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1nccs1 ZINC000309446831 385586907 /nfs/dbraw/zinc/58/69/07/385586907.db2.gz LONCACKBGDKFEW-DTWKUNHWSA-N 0 1 246.326 3.372 20 0 BGADMN 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/nfs/dbraw/zinc/93/40/67/180934067.db2.gz AYEDVSIGOKULPP-LLVKDONJSA-N 0 1 243.709 3.113 20 0 BGADMN FCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000309519449 385652363 /nfs/dbraw/zinc/65/23/63/385652363.db2.gz AYEDVSIGOKULPP-NSHDSACASA-N 0 1 243.709 3.113 20 0 BGADMN Cc1cc(CN[C@H](C)CCCC(C)C)no1 ZINC000309524225 178036986 /nfs/dbraw/zinc/03/69/86/178036986.db2.gz AVZAPQAQOHBPHQ-LLVKDONJSA-N 0 1 224.348 3.287 20 0 BGADMN Cc1cc(CN[C@@H](C)CCCC(C)C)no1 ZINC000309524237 178030134 /nfs/dbraw/zinc/03/01/34/178030134.db2.gz AVZAPQAQOHBPHQ-NSHDSACASA-N 0 1 224.348 3.287 20 0 BGADMN Cc1nccc(N[C@H]2CCCOCC2)c1Cl ZINC000309525865 180204889 /nfs/dbraw/zinc/20/48/89/180204889.db2.gz BVDDNURYNDNTTF-JTQLQIEISA-N 0 1 240.734 3.024 20 0 BGADMN Cc1nccc(N[C@@H]2CCCOCC2)c1Cl ZINC000309525867 180203301 /nfs/dbraw/zinc/20/33/01/180203301.db2.gz BVDDNURYNDNTTF-SNVBAGLBSA-N 0 1 240.734 3.024 20 0 BGADMN FCCNCc1ccc(C2CCCC2)cc1 ZINC000309528688 388455822 /nfs/dbraw/zinc/45/58/22/388455822.db2.gz CRDJIQKYQUPSCM-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/32/11/89/385321189.db2.gz LLDKPSZXQLCTRJ-UHFFFAOYSA-N 0 1 240.306 3.359 20 0 BGADMN Cc1nc(C)c(CNC/C=C/c2ccccc2)o1 ZINC000311675038 633151258 /nfs/dbraw/zinc/15/12/58/633151258.db2.gz KIBGNCPSTAJXLD-RMKNXTFCSA-N 0 1 242.322 3.094 20 0 BGADMN Cc1nc(C)c(CNC/C=C\c2ccccc2)o1 ZINC000311675039 633149788 /nfs/dbraw/zinc/14/97/88/633149788.db2.gz KIBGNCPSTAJXLD-TWGQIWQCSA-N 0 1 242.322 3.094 20 0 BGADMN Cc1nc(C)c(CN[C@@H](C)c2ccccc2)o1 ZINC000311721339 541361660 /nfs/dbraw/zinc/36/16/60/541361660.db2.gz YRXNBQWMIZNDMT-JTQLQIEISA-N 0 1 230.311 3.142 20 0 BGADMN Cc1nc(C)c(CN[C@H](C)c2ccccc2)o1 ZINC000311721341 541362142 /nfs/dbraw/zinc/36/21/42/541362142.db2.gz YRXNBQWMIZNDMT-SNVBAGLBSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1nc(C)c(CN[C@@H]2CCc3ccccc32)o1 ZINC000311746821 350000672 /nfs/dbraw/zinc/00/06/72/350000672.db2.gz CDKLITAXRMKVLU-CQSZACIVSA-N 0 1 242.322 3.069 20 0 BGADMN CCc1ccccc1CNCc1oc(C)nc1C ZINC000311777513 346182246 /nfs/dbraw/zinc/18/22/46/346182246.db2.gz OFXLPNXCFHTKNU-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN Cc1nc(C)c(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000311787333 538114781 /nfs/dbraw/zinc/11/47/81/538114781.db2.gz QDTCNOKGLXKXDS-LLVKDONJSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1nc(C)c(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000311787857 538114784 /nfs/dbraw/zinc/11/47/84/538114784.db2.gz QDTCNOKGLXKXDS-NSHDSACASA-N 0 1 244.338 3.451 20 0 BGADMN CC/C=C\CNCc1ccsc1Cl ZINC000312593812 322903922 /nfs/dbraw/zinc/90/39/22/322903922.db2.gz BMOKUHOGUOCUPH-ARJAWSKDSA-N 0 1 215.749 3.457 20 0 BGADMN CC/C=C/CNCc1ccsc1Cl ZINC000312593813 322903926 /nfs/dbraw/zinc/90/39/26/322903926.db2.gz BMOKUHOGUOCUPH-ONEGZZNKSA-N 0 1 215.749 3.457 20 0 BGADMN C[C@@H]1C[C@@H](NCc2ccsc2Cl)[C@H](C)O1 ZINC000312596761 386697506 /nfs/dbraw/zinc/69/75/06/386697506.db2.gz GKPKVNARBSMOHO-KHQFGBGNSA-N 0 1 245.775 3.057 20 0 BGADMN C[C@@H]1C[C@H](NCc2ccsc2Cl)[C@@H](C)O1 ZINC000312596762 386696614 /nfs/dbraw/zinc/69/66/14/386696614.db2.gz GKPKVNARBSMOHO-MRTMQBJTSA-N 0 1 245.775 3.057 20 0 BGADMN C[C@@H]1C[C@@H](NCc2ccsc2Cl)[C@@H](C)O1 ZINC000312596763 386696590 /nfs/dbraw/zinc/69/65/90/386696590.db2.gz GKPKVNARBSMOHO-NQMVMOMDSA-N 0 1 245.775 3.057 20 0 BGADMN C[C@@H]1C[C@H](NCc2ccsc2Cl)[C@H](C)O1 ZINC000312596765 386697555 /nfs/dbraw/zinc/69/75/55/386697555.db2.gz GKPKVNARBSMOHO-WEDXCCLWSA-N 0 1 245.775 3.057 20 0 BGADMN C/C=C\CNCc1ccsc1Cl ZINC000312604470 346584971 /nfs/dbraw/zinc/58/49/71/346584971.db2.gz PFHHPMYHWCJSNE-IHWYPQMZSA-N 0 1 201.722 3.067 20 0 BGADMN C/C=C/CNCc1ccsc1Cl ZINC000312604475 346584922 /nfs/dbraw/zinc/58/49/22/346584922.db2.gz PFHHPMYHWCJSNE-NSCUHMNNSA-N 0 1 201.722 3.067 20 0 BGADMN CCn1ccnc1NCc1ccsc1Cl ZINC000312750670 322920673 /nfs/dbraw/zinc/92/06/73/322920673.db2.gz VRIBEWYOZXRYCJ-UHFFFAOYSA-N 0 1 241.747 3.230 20 0 BGADMN CCCCCN(CC(=O)OC(C)(C)C)C(C)C ZINC000312972743 384974288 /nfs/dbraw/zinc/97/42/88/384974288.db2.gz ANZZVRHKRQARNB-UHFFFAOYSA-N 0 1 243.391 3.229 20 0 BGADMN CCC(CC)CN(CC)CC(=O)OC(C)(C)C ZINC000312979593 370557411 /nfs/dbraw/zinc/55/74/11/370557411.db2.gz NTCJHBOTJJCHCO-UHFFFAOYSA-N 0 1 243.391 3.086 20 0 BGADMN CCCCN(CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000312980289 326253615 /nfs/dbraw/zinc/25/36/15/326253615.db2.gz PEXUWWQHUCNILD-GFCCVEGCSA-N 0 1 243.391 3.229 20 0 BGADMN CCCCN(CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000312980290 326253531 /nfs/dbraw/zinc/25/35/31/326253531.db2.gz PEXUWWQHUCNILD-LBPRGKRZSA-N 0 1 243.391 3.229 20 0 BGADMN FC(F)CN[C@H]1CCCC12CCCCC2 ZINC000312995355 385066598 /nfs/dbraw/zinc/06/65/98/385066598.db2.gz RCNVRAPFJBXYLP-JTQLQIEISA-N 0 1 217.303 3.344 20 0 BGADMN FC(F)CN[C@@H]1CCCC12CCCCC2 ZINC000312995358 385065632 /nfs/dbraw/zinc/06/56/32/385065632.db2.gz RCNVRAPFJBXYLP-SNVBAGLBSA-N 0 1 217.303 3.344 20 0 BGADMN c1cnc(CN[C@@H]2CCCC23CCCCC3)nc1 ZINC000313021015 370563074 /nfs/dbraw/zinc/56/30/74/370563074.db2.gz MCDOGAODXAJHPM-CYBMUJFWSA-N 0 1 245.370 3.069 20 0 BGADMN c1cnc(CN[C@H]2CCCC23CCCCC3)nc1 ZINC000313021016 343975074 /nfs/dbraw/zinc/97/50/74/343975074.db2.gz MCDOGAODXAJHPM-ZDUSSCGKSA-N 0 1 245.370 3.069 20 0 BGADMN CC[C@@H](O)[C@H](CC)Nc1ccnc(C)c1Cl ZINC000313165596 383977804 /nfs/dbraw/zinc/97/78/04/383977804.db2.gz SVGAGXKKOVQZSL-GXSJLCMTSA-N 0 1 242.750 3.005 20 0 BGADMN CC[C@@H](Nc1ccnc(C)c1Cl)[C@@H](O)CC ZINC000313165598 383979188 /nfs/dbraw/zinc/97/91/88/383979188.db2.gz SVGAGXKKOVQZSL-KOLCDFICSA-N 0 1 242.750 3.005 20 0 BGADMN CC[C@@H](O)[C@@H](CC)Nc1ccnc(C)c1Cl ZINC000313165600 383978856 /nfs/dbraw/zinc/97/88/56/383978856.db2.gz SVGAGXKKOVQZSL-MWLCHTKSSA-N 0 1 242.750 3.005 20 0 BGADMN CC[C@H](O)[C@H](CC)Nc1ccnc(C)c1Cl ZINC000313165603 383979578 /nfs/dbraw/zinc/97/95/78/383979578.db2.gz SVGAGXKKOVQZSL-ONGXEEELSA-N 0 1 242.750 3.005 20 0 BGADMN CCC[C@H](NCC(F)F)C1CCCC1 ZINC000313412629 398230773 /nfs/dbraw/zinc/23/07/73/398230773.db2.gz QAJJGSIGTRCUNO-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@@H](NCC(F)F)C1CCCC1 ZINC000313412631 398230650 /nfs/dbraw/zinc/23/06/50/398230650.db2.gz QAJJGSIGTRCUNO-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN Cc1ccnc(NCCOCC2CCCC2)c1 ZINC000313477143 384413579 /nfs/dbraw/zinc/41/35/79/384413579.db2.gz AFIIUXNCPBZZQI-UHFFFAOYSA-N 0 1 234.343 3.009 20 0 BGADMN Cc1ccc(CNCc2ccc(F)cc2)nc1C ZINC000313792966 259365993 /nfs/dbraw/zinc/36/59/93/259365993.db2.gz DHOXAFZJQOHVMQ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(CNCc2ccsc2)nc1C ZINC000314095529 259366631 /nfs/dbraw/zinc/36/66/31/259366631.db2.gz DGBLEUDOFNGXBL-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1ccc(CNCc2ccc(C)c(C)n2)s1 ZINC000314109489 384799108 /nfs/dbraw/zinc/79/91/08/384799108.db2.gz FQYHDRFEAIIIEI-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN Cc1ccsc1CNCc1ccc(C)c(C)n1 ZINC000314113617 384806320 /nfs/dbraw/zinc/80/63/20/384806320.db2.gz GFHNVLQRAFQLHO-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN Cc1ccc(CNCc2cccc(F)c2)nc1C ZINC000314166682 384839119 /nfs/dbraw/zinc/83/91/19/384839119.db2.gz JAZFHABBSKEPSU-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(CNCc2cccs2)nc1C ZINC000314181471 384843808 /nfs/dbraw/zinc/84/38/08/384843808.db2.gz ONNQHNZEIAECAD-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1cc(CNCc2ccc(C)c(C)n2)cs1 ZINC000314188450 323080621 /nfs/dbraw/zinc/08/06/21/323080621.db2.gz PMFMPFLZDHKFCN-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN Cc1sccc1CNCc1ccc(C)c(C)n1 ZINC000314255567 384881229 /nfs/dbraw/zinc/88/12/29/384881229.db2.gz YWHFVGYZKCOFDH-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN Cc1cccc(CNCc2ccc(C)c(C)n2)c1 ZINC000314717375 386958367 /nfs/dbraw/zinc/95/83/67/386958367.db2.gz DTPDRBNPORUELI-UHFFFAOYSA-N 0 1 240.350 3.297 20 0 BGADMN Cc1ccc(CNCc2ccc(C)c(C)n2)cc1 ZINC000314795534 256682411 /nfs/dbraw/zinc/68/24/11/256682411.db2.gz NPBZFSFRTBGJHG-UHFFFAOYSA-N 0 1 240.350 3.297 20 0 BGADMN Cc1ccc(CNCc2ccccc2C)nc1C ZINC000314833120 387278163 /nfs/dbraw/zinc/27/81/63/387278163.db2.gz SMOGXJQCJYCYLO-UHFFFAOYSA-N 0 1 240.350 3.297 20 0 BGADMN Cc1cc(CN2CCC[C@H](C)C2)cc(Cl)n1 ZINC000320688315 636354023 /nfs/dbraw/zinc/35/40/23/636354023.db2.gz BUASJBAEPBAHNE-JTQLQIEISA-N 0 1 238.762 3.275 20 0 BGADMN Cc1cc(CN2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000320688329 636354508 /nfs/dbraw/zinc/35/45/08/636354508.db2.gz BUASJBAEPBAHNE-SNVBAGLBSA-N 0 1 238.762 3.275 20 0 BGADMN Cc1cc(CN2CCCC[C@H]2C)cc(Cl)n1 ZINC000320930346 636542738 /nfs/dbraw/zinc/54/27/38/636542738.db2.gz QWSLTCNNQZSQQY-LLVKDONJSA-N 0 1 238.762 3.418 20 0 BGADMN Cc1cc(CN2CCCC[C@@H]2C)cc(Cl)n1 ZINC000320930349 636543421 /nfs/dbraw/zinc/54/34/21/636543421.db2.gz QWSLTCNNQZSQQY-NSHDSACASA-N 0 1 238.762 3.418 20 0 BGADMN Cc1cc(CN2CCCCCC2)cc(Cl)n1 ZINC000320993157 636554272 /nfs/dbraw/zinc/55/42/72/636554272.db2.gz YCXYCKMXKGBJSV-UHFFFAOYSA-N 0 1 238.762 3.419 20 0 BGADMN COc1ccc([C@@H](C)NCc2ccoc2C)cc1 ZINC000321056545 175176916 /nfs/dbraw/zinc/17/69/16/175176916.db2.gz KYXLOZGPKMPEIB-LLVKDONJSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@H](C)NCc2ccoc2C)cc1 ZINC000321056546 175189025 /nfs/dbraw/zinc/18/90/25/175189025.db2.gz KYXLOZGPKMPEIB-NSHDSACASA-N 0 1 245.322 3.447 20 0 BGADMN Cc1occc1CN[C@@H](C)c1cccc(O)c1 ZINC000321084523 387945871 /nfs/dbraw/zinc/94/58/71/387945871.db2.gz PKILYFOACKHXQB-JTQLQIEISA-N 0 1 231.295 3.144 20 0 BGADMN Cc1occc1CN[C@H](C)c1cccc(O)c1 ZINC000321084524 387945599 /nfs/dbraw/zinc/94/55/99/387945599.db2.gz PKILYFOACKHXQB-SNVBAGLBSA-N 0 1 231.295 3.144 20 0 BGADMN COc1ccccc1[C@@H](C)NCc1ccoc1C ZINC000321098876 175345320 /nfs/dbraw/zinc/34/53/20/175345320.db2.gz RXBORFPTZKLWKJ-LLVKDONJSA-N 0 1 245.322 3.447 20 0 BGADMN Cc1cc(CNCc2ccoc2C)cs1 ZINC000321104468 488127781 /nfs/dbraw/zinc/12/77/81/488127781.db2.gz SXVNGORHSYKJQE-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN CCc1ccc(CNCc2ccoc2C)cc1 ZINC000321107302 344498058 /nfs/dbraw/zinc/49/80/58/344498058.db2.gz UCIHRPYWXDUSNF-UHFFFAOYSA-N 0 1 229.323 3.440 20 0 BGADMN COCc1cccc(CNCc2ccoc2C)c1 ZINC000321168478 387955077 /nfs/dbraw/zinc/95/50/77/387955077.db2.gz CKDNEFWVGGAKMS-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN CCc1ccccc1CNCc1ccoc1C ZINC000321260862 387063709 /nfs/dbraw/zinc/06/37/09/387063709.db2.gz QMKFQRSSORLYQP-UHFFFAOYSA-N 0 1 229.323 3.440 20 0 BGADMN COc1ccccc1[C@H](C)NCc1ccoc1C ZINC000321272448 175351837 /nfs/dbraw/zinc/35/18/37/175351837.db2.gz RXBORFPTZKLWKJ-NSHDSACASA-N 0 1 245.322 3.447 20 0 BGADMN COc1cccc([C@@H](C)NCc2ccoc2C)c1 ZINC000321302602 175286391 /nfs/dbraw/zinc/28/63/91/175286391.db2.gz VSASTLCVTHMFFU-LLVKDONJSA-N 0 1 245.322 3.447 20 0 BGADMN Cc1occc1CN[C@@H]1CCCc2occc21 ZINC000321306765 387093937 /nfs/dbraw/zinc/09/39/37/387093937.db2.gz WCDHCKATBBTBQP-CYBMUJFWSA-N 0 1 231.295 3.348 20 0 BGADMN Cc1occc1CN[C@H]1CCCc2occc21 ZINC000321306769 387092870 /nfs/dbraw/zinc/09/28/70/387092870.db2.gz WCDHCKATBBTBQP-ZDUSSCGKSA-N 0 1 231.295 3.348 20 0 BGADMN Cc1cc(CN2CCC(C)(C)C2)cc(Cl)n1 ZINC000321318919 636620656 /nfs/dbraw/zinc/62/06/56/636620656.db2.gz NQEWQQGQYMAPIN-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN COCc1ccccc1CNCc1ccoc1C ZINC000321465215 387207447 /nfs/dbraw/zinc/20/74/47/387207447.db2.gz GZICVTLYZYQTOH-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN Cc1cscc1CNCc1ccoc1C ZINC000321503674 387266908 /nfs/dbraw/zinc/26/69/08/387266908.db2.gz LZXABHZGZMPUDF-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN COc1cccc([C@H](C)NCc2ccoc2C)c1 ZINC000321580636 175293021 /nfs/dbraw/zinc/29/30/21/175293021.db2.gz VSASTLCVTHMFFU-NSHDSACASA-N 0 1 245.322 3.447 20 0 BGADMN CC[C@H](N[C@H](C)C(C)(F)F)[C@H]1C[C@H]1C ZINC000321904885 387313252 /nfs/dbraw/zinc/31/32/52/387313252.db2.gz OHSCFZWNTJXZHO-IMSYWVGJSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@H](N[C@H](C)C(C)(F)F)[C@@H]1C[C@@H]1C ZINC000321904886 387313412 /nfs/dbraw/zinc/31/34/12/387313412.db2.gz OHSCFZWNTJXZHO-JLIMGVALSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@H](N[C@H](C)C(C)(F)F)[C@H]1C[C@@H]1C ZINC000321904887 387313914 /nfs/dbraw/zinc/31/39/14/387313914.db2.gz OHSCFZWNTJXZHO-JXUBOQSCSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@H](N[C@H](C)C(C)(F)F)[C@@H]1C[C@H]1C ZINC000321904888 387313389 /nfs/dbraw/zinc/31/33/89/387313389.db2.gz OHSCFZWNTJXZHO-KYXWUPHJSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@](C)(CNc1ccnc(C)c1Cl)OC ZINC000323194648 386553751 /nfs/dbraw/zinc/55/37/51/386553751.db2.gz DJYCUFOIRTVLAS-GFCCVEGCSA-N 0 1 242.750 3.270 20 0 BGADMN CC[C@@](C)(CNc1ccnc(C)c1Cl)OC ZINC000323194651 384401523 /nfs/dbraw/zinc/40/15/23/384401523.db2.gz DJYCUFOIRTVLAS-LBPRGKRZSA-N 0 1 242.750 3.270 20 0 BGADMN C[C@H]1CN(CC/C=C/c2ccccc2)CCC1=O ZINC000323746745 386595268 /nfs/dbraw/zinc/59/52/68/386595268.db2.gz UCRWPAGGCMZJAC-KVEVGEHQSA-N 0 1 243.350 3.001 20 0 BGADMN C[C@H]1CN(CC/C=C\c2ccccc2)CCC1=O ZINC000323746746 386594904 /nfs/dbraw/zinc/59/49/04/386594904.db2.gz UCRWPAGGCMZJAC-UQYHUFHVSA-N 0 1 243.350 3.001 20 0 BGADMN C[C@@H]1CN(CC/C=C\c2ccccc2)CCC1=O ZINC000323746747 386595221 /nfs/dbraw/zinc/59/52/21/386595221.db2.gz UCRWPAGGCMZJAC-VYLZPFMQSA-N 0 1 243.350 3.001 20 0 BGADMN C[C@@H]1CN(CC/C=C/c2ccccc2)CCC1=O ZINC000323746748 386595207 /nfs/dbraw/zinc/59/52/07/386595207.db2.gz UCRWPAGGCMZJAC-VZUFXWRPSA-N 0 1 243.350 3.001 20 0 BGADMN CC[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000324427370 487609562 /nfs/dbraw/zinc/60/95/62/487609562.db2.gz HJAAWSQSUYAKPE-LLVKDONJSA-N 0 1 239.746 3.324 20 0 BGADMN CC[C@H]([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000324427373 487609394 /nfs/dbraw/zinc/60/93/94/487609394.db2.gz HJAAWSQSUYAKPE-NSHDSACASA-N 0 1 239.746 3.324 20 0 BGADMN C[C@H](C1CCC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000324649650 387492073 /nfs/dbraw/zinc/49/20/73/387492073.db2.gz AVFPVWMLBVOBRP-LLVKDONJSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H](C1CCC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000324649652 387491874 /nfs/dbraw/zinc/49/18/74/387491874.db2.gz AVFPVWMLBVOBRP-NSHDSACASA-N 0 1 247.338 3.005 20 0 BGADMN CCC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCC1 ZINC000324901221 323300900 /nfs/dbraw/zinc/30/09/00/323300900.db2.gz HXQQFJCUHJKMML-CYBMUJFWSA-N 0 1 248.370 3.154 20 0 BGADMN CCC[C@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCC1 ZINC000324901223 323301202 /nfs/dbraw/zinc/30/12/02/323301202.db2.gz HXQQFJCUHJKMML-ZDUSSCGKSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1ccnc(CN[C@H](C)c2ccccc2)c1 ZINC000328053813 537824812 /nfs/dbraw/zinc/82/48/12/537824812.db2.gz ZTRGTMCWKGHWRK-CYBMUJFWSA-N 0 1 226.323 3.241 20 0 BGADMN Cc1ccnc(CN[C@@H](C)c2ccccc2)c1 ZINC000328053814 537824546 /nfs/dbraw/zinc/82/45/46/537824546.db2.gz ZTRGTMCWKGHWRK-ZDUSSCGKSA-N 0 1 226.323 3.241 20 0 BGADMN [O-]c1cccc(C[NH2+]CC2CCCC2)c1Cl ZINC000328072560 387846599 /nfs/dbraw/zinc/84/65/99/387846599.db2.gz AFROOMKYCIMSOY-UHFFFAOYSA-N 0 1 239.746 3.325 20 0 BGADMN CC1(C[NH2+]Cc2cccc([O-])c2Cl)CCC1 ZINC000328176135 168043086 /nfs/dbraw/zinc/04/30/86/168043086.db2.gz ATWWSEIRHWCKCC-UHFFFAOYSA-N 0 1 239.746 3.325 20 0 BGADMN CCC[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328214617 388586454 /nfs/dbraw/zinc/58/64/54/388586454.db2.gz JNBPGOQIOKLQLR-SECBINFHSA-N 0 1 227.735 3.324 20 0 BGADMN CCC[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328214618 388407127 /nfs/dbraw/zinc/40/71/27/388407127.db2.gz JNBPGOQIOKLQLR-VIFPVBQESA-N 0 1 227.735 3.324 20 0 BGADMN CC[C@@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000328218840 388586475 /nfs/dbraw/zinc/58/64/75/388586475.db2.gz KYBQNDXCWVNUBE-SECBINFHSA-N 0 1 227.735 3.181 20 0 BGADMN CC[C@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000328218842 171286203 /nfs/dbraw/zinc/28/62/03/171286203.db2.gz KYBQNDXCWVNUBE-VIFPVBQESA-N 0 1 227.735 3.181 20 0 BGADMN CCc1cnc(CN2CCCCCC2)s1 ZINC000328237064 363862705 /nfs/dbraw/zinc/86/27/05/363862705.db2.gz HCCUYHUJUGYDJJ-UHFFFAOYSA-N 0 1 224.373 3.082 20 0 BGADMN CC1(C)CCN(Cc2cccc(O)c2Cl)C1 ZINC000328239389 363862722 /nfs/dbraw/zinc/86/27/22/363862722.db2.gz QPJSMZUXBUOFEJ-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN CC1(C)CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328239389 363862720 /nfs/dbraw/zinc/86/27/20/363862720.db2.gz QPJSMZUXBUOFEJ-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN CC1(C)CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328239389 363862718 /nfs/dbraw/zinc/86/27/18/363862718.db2.gz QPJSMZUXBUOFEJ-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN CC[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328239856 363862971 /nfs/dbraw/zinc/86/29/71/363862971.db2.gz QRFSTFDATKVHNZ-JTQLQIEISA-N 0 1 239.746 3.278 20 0 BGADMN CC[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328239856 363862966 /nfs/dbraw/zinc/86/29/66/363862966.db2.gz QRFSTFDATKVHNZ-JTQLQIEISA-N 0 1 239.746 3.278 20 0 BGADMN CC[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328239857 363863103 /nfs/dbraw/zinc/86/31/03/363863103.db2.gz QRFSTFDATKVHNZ-SNVBAGLBSA-N 0 1 239.746 3.278 20 0 BGADMN CC[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328239857 363863097 /nfs/dbraw/zinc/86/30/97/363863097.db2.gz QRFSTFDATKVHNZ-SNVBAGLBSA-N 0 1 239.746 3.278 20 0 BGADMN C[C@H](C[NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000328242186 388408456 /nfs/dbraw/zinc/40/84/56/388408456.db2.gz RBHQRXLLDHIWQL-SECBINFHSA-N 0 1 239.746 3.181 20 0 BGADMN C[C@@H](C[NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000328242188 388408578 /nfs/dbraw/zinc/40/85/78/388408578.db2.gz RBHQRXLLDHIWQL-VIFPVBQESA-N 0 1 239.746 3.181 20 0 BGADMN [O-]c1cccc(C[NH2+]CCC2CCC2)c1Cl ZINC000328286764 633753278 /nfs/dbraw/zinc/75/32/78/633753278.db2.gz ZSWPLYALGKTZNU-UHFFFAOYSA-N 0 1 239.746 3.325 20 0 BGADMN CC(C)([NH2+]Cc1cccc([O-])c1Cl)C1CC1 ZINC000328318935 388410961 /nfs/dbraw/zinc/41/09/61/388410961.db2.gz DLQGKHNUXFNKIZ-UHFFFAOYSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@H]1CCCCN1Cc1cccc(O)c1Cl ZINC000328332540 177076242 /nfs/dbraw/zinc/07/62/42/177076242.db2.gz IVYINLVDKBQVKQ-JTQLQIEISA-N 0 1 239.746 3.420 20 0 BGADMN C[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000328332540 177076240 /nfs/dbraw/zinc/07/62/40/177076240.db2.gz IVYINLVDKBQVKQ-JTQLQIEISA-N 0 1 239.746 3.420 20 0 BGADMN C[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328332540 177076239 /nfs/dbraw/zinc/07/62/39/177076239.db2.gz IVYINLVDKBQVKQ-JTQLQIEISA-N 0 1 239.746 3.420 20 0 BGADMN C[C@@H]1CCCCN1Cc1cccc(O)c1Cl ZINC000328332541 176073459 /nfs/dbraw/zinc/07/34/59/176073459.db2.gz IVYINLVDKBQVKQ-SNVBAGLBSA-N 0 1 239.746 3.420 20 0 BGADMN C[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000328332541 176073457 /nfs/dbraw/zinc/07/34/57/176073457.db2.gz IVYINLVDKBQVKQ-SNVBAGLBSA-N 0 1 239.746 3.420 20 0 BGADMN C[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000328332541 176073454 /nfs/dbraw/zinc/07/34/54/176073454.db2.gz IVYINLVDKBQVKQ-SNVBAGLBSA-N 0 1 239.746 3.420 20 0 BGADMN C[C@H](CC1CC1)[NH2+]Cc1cccc([O-])c1Cl ZINC000328343088 388624772 /nfs/dbraw/zinc/62/47/72/388624772.db2.gz LPJNYAUWSBWXCY-SECBINFHSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H](CC1CC1)[NH2+]Cc1cccc([O-])c1Cl ZINC000328343089 388624452 /nfs/dbraw/zinc/62/44/52/388624452.db2.gz LPJNYAUWSBWXCY-VIFPVBQESA-N 0 1 239.746 3.324 20 0 BGADMN CCC[N@@H+](CC)Cc1cccc([O-])c1Cl ZINC000328347368 136364053 /nfs/dbraw/zinc/36/40/53/136364053.db2.gz OKCKGSPZIMFDID-UHFFFAOYSA-N 0 1 227.735 3.278 20 0 BGADMN CCC[N@H+](CC)Cc1cccc([O-])c1Cl ZINC000328347368 136364052 /nfs/dbraw/zinc/36/40/52/136364052.db2.gz OKCKGSPZIMFDID-UHFFFAOYSA-N 0 1 227.735 3.278 20 0 BGADMN CC1CCN(Cc2cccc(O)c2Cl)CC1 ZINC000328354104 168183919 /nfs/dbraw/zinc/18/39/19/168183919.db2.gz QOHFFDDIZOXBSI-UHFFFAOYSA-N 0 1 239.746 3.278 20 0 BGADMN c1sc(CN2CCCCCC2)nc1C1CC1 ZINC000328357642 388641876 /nfs/dbraw/zinc/64/18/76/388641876.db2.gz PEULUPAVUFUZJN-UHFFFAOYSA-N 0 1 236.384 3.397 20 0 BGADMN [O-]c1cccc(C[NH+]2CCCCCC2)c1Cl ZINC000328364822 324566570 /nfs/dbraw/zinc/56/65/70/324566570.db2.gz UMJJZGWTNWZJST-UHFFFAOYSA-N 0 1 239.746 3.422 20 0 BGADMN Cc1nccc(N[C@H]2CCOC2(C)C)c1Cl ZINC000328413037 180208313 /nfs/dbraw/zinc/20/83/13/180208313.db2.gz VUMPCTKNCGRIHX-JTQLQIEISA-N 0 1 240.734 3.023 20 0 BGADMN Cc1nccc(N[C@@H]2CCOC2(C)C)c1Cl ZINC000328413038 180203177 /nfs/dbraw/zinc/20/31/77/180203177.db2.gz VUMPCTKNCGRIHX-SNVBAGLBSA-N 0 1 240.734 3.023 20 0 BGADMN CC1([NH2+]Cc2cccc([O-])c2Cl)CCCC1 ZINC000328479137 323267515 /nfs/dbraw/zinc/26/75/15/323267515.db2.gz PHWCCSFEKWKLNS-UHFFFAOYSA-N 0 1 239.746 3.468 20 0 BGADMN Cc1cc(CNCc2scnc2C)cs1 ZINC000328551793 178028335 /nfs/dbraw/zinc/02/83/35/178028335.db2.gz USLNGCKSTBVDHD-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN C[C@H]1CCC[C@H]1NCc1nc(C2CCCC2)no1 ZINC000328638038 177143094 /nfs/dbraw/zinc/14/30/94/177143094.db2.gz BFFZCSVESHIHDA-CMPLNLGQSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@H]1CCC[C@@H]1NCc1nc(C2CCCC2)no1 ZINC000328638039 177126531 /nfs/dbraw/zinc/12/65/31/177126531.db2.gz BFFZCSVESHIHDA-JQWIXIFHSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@@H]1CCC[C@@H]1NCc1nc(C2CCCC2)no1 ZINC000328638040 176131793 /nfs/dbraw/zinc/13/17/93/176131793.db2.gz BFFZCSVESHIHDA-PWSUYJOCSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@@H]1CCC[C@H]1NCc1nc(C2CCCC2)no1 ZINC000328638041 176150466 /nfs/dbraw/zinc/15/04/66/176150466.db2.gz BFFZCSVESHIHDA-ZYHUDNBSSA-N 0 1 249.358 3.005 20 0 BGADMN Cc1noc([C@H](C)N[C@@H]2CCCC23CCCC3)n1 ZINC000329209184 386632880 /nfs/dbraw/zinc/63/28/80/386632880.db2.gz YYPVHVVWVOCJQM-CMPLNLGQSA-N 0 1 249.358 3.142 20 0 BGADMN Cc1noc([C@H](C)N[C@H]2CCCC23CCCC3)n1 ZINC000329209185 386634136 /nfs/dbraw/zinc/63/41/36/386634136.db2.gz YYPVHVVWVOCJQM-JQWIXIFHSA-N 0 1 249.358 3.142 20 0 BGADMN Cc1noc([C@@H](C)N[C@H]2CCCC23CCCC3)n1 ZINC000329209186 386634823 /nfs/dbraw/zinc/63/48/23/386634823.db2.gz YYPVHVVWVOCJQM-PWSUYJOCSA-N 0 1 249.358 3.142 20 0 BGADMN Cc1noc([C@@H](C)N[C@@H]2CCCC23CCCC3)n1 ZINC000329209187 386634453 /nfs/dbraw/zinc/63/44/53/386634453.db2.gz YYPVHVVWVOCJQM-ZYHUDNBSSA-N 0 1 249.358 3.142 20 0 BGADMN c1cc(NC2CCC3(CC3)CC2)cc2n[nH]nc12 ZINC000330196951 183377499 /nfs/dbraw/zinc/37/74/99/183377499.db2.gz RCYRCCZUXDWXCJ-UHFFFAOYSA-N 0 1 242.326 3.093 20 0 BGADMN c1cc(NC2CCC3(CC3)CC2)cc2[nH]nnc12 ZINC000330196951 183377495 /nfs/dbraw/zinc/37/74/95/183377495.db2.gz RCYRCCZUXDWXCJ-UHFFFAOYSA-N 0 1 242.326 3.093 20 0 BGADMN CC(C)[C@@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000330492497 167357450 /nfs/dbraw/zinc/35/74/50/167357450.db2.gz KEQSLHSJNPRXPX-JTQLQIEISA-N 0 1 245.326 3.184 20 0 BGADMN CC(C)[C@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000330492498 188399892 /nfs/dbraw/zinc/39/98/92/188399892.db2.gz KEQSLHSJNPRXPX-SNVBAGLBSA-N 0 1 245.326 3.184 20 0 BGADMN Cc1nc2ccc(NC(=O)CCC(C)C)cc2[nH]1 ZINC000330504088 180094244 /nfs/dbraw/zinc/09/42/44/180094244.db2.gz DIAWPRNWYCCVGM-UHFFFAOYSA-N 0 1 245.326 3.246 20 0 BGADMN CC(C)(C)CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000330609558 386787884 /nfs/dbraw/zinc/78/78/84/386787884.db2.gz OBZMQZLOFVAUBA-UHFFFAOYSA-N 0 1 245.326 3.328 20 0 BGADMN CCC[C@@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000330680158 169353393 /nfs/dbraw/zinc/35/33/93/169353393.db2.gz NOXLZRNBWYULCI-SECBINFHSA-N 0 1 245.326 3.246 20 0 BGADMN CCC[C@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000330680159 386827480 /nfs/dbraw/zinc/82/74/80/386827480.db2.gz NOXLZRNBWYULCI-VIFPVBQESA-N 0 1 245.326 3.246 20 0 BGADMN CCC(C)(C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000330942529 168274299 /nfs/dbraw/zinc/27/42/99/168274299.db2.gz ZUGZZTAXWZWORC-UHFFFAOYSA-N 0 1 245.326 3.328 20 0 BGADMN CC[C@@H](C)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000331067205 386953579 /nfs/dbraw/zinc/95/35/79/386953579.db2.gz 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KVHBZIMZMSAMNQ-UHFFFAOYSA-N 0 1 247.342 3.145 20 0 BGADMN CC1=C(c2nc(C3(N)CCCCC3)no2)CCC1 ZINC000333582719 168089313 /nfs/dbraw/zinc/08/93/13/168089313.db2.gz ODHKQNDDCSTGPF-UHFFFAOYSA-N 0 1 247.342 3.145 20 0 BGADMN Cc1nc(CN(C)[C@@H]2CC[C@@H](C)C2)cs1 ZINC000334150430 385057198 /nfs/dbraw/zinc/05/71/98/385057198.db2.gz JBILDKQIMUFWIO-BXKDBHETSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1nc(CN(C)[C@H]2CC[C@@H](C)C2)cs1 ZINC000334150433 385056642 /nfs/dbraw/zinc/05/66/42/385056642.db2.gz JBILDKQIMUFWIO-SKDRFNHKSA-N 0 1 224.373 3.072 20 0 BGADMN Cc1ccncc1CN1CC[C@H]1c1ccccc1 ZINC000334152692 385087894 /nfs/dbraw/zinc/08/78/94/385087894.db2.gz YEXDJXGAFINAFR-INIZCTEOSA-N 0 1 238.334 3.337 20 0 BGADMN Cc1ccncc1CN1CC[C@@H]1c1ccccc1 ZINC000334152693 385087292 /nfs/dbraw/zinc/08/72/92/385087292.db2.gz YEXDJXGAFINAFR-MRXNPFEDSA-N 0 1 238.334 3.337 20 0 BGADMN Cc1nocc1CN[C@@H]1CCCc2sccc21 ZINC000334153336 384351988 /nfs/dbraw/zinc/35/19/88/384351988.db2.gz OBYALIVUJDMUMR-GFCCVEGCSA-N 0 1 248.351 3.212 20 0 BGADMN Cc1nocc1CN[C@H]1CCCc2sccc21 ZINC000334153337 384350806 /nfs/dbraw/zinc/35/08/06/384350806.db2.gz OBYALIVUJDMUMR-LBPRGKRZSA-N 0 1 248.351 3.212 20 0 BGADMN Cc1nocc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000334166207 135323876 /nfs/dbraw/zinc/32/38/76/135323876.db2.gz ACLFBRBUGSFFFP-BMIGLBTASA-N 0 1 242.322 3.006 20 0 BGADMN Cc1nocc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000334166223 135323833 /nfs/dbraw/zinc/32/38/33/135323833.db2.gz ACLFBRBUGSFFFP-BONVTDFDSA-N 0 1 242.322 3.006 20 0 BGADMN Cc1nocc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000334166227 135323674 /nfs/dbraw/zinc/32/36/74/135323674.db2.gz ACLFBRBUGSFFFP-MEBBXXQBSA-N 0 1 242.322 3.006 20 0 BGADMN Cc1nocc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000334166238 135323800 /nfs/dbraw/zinc/32/38/00/135323800.db2.gz ACLFBRBUGSFFFP-ZUZCIYMTSA-N 0 1 242.322 3.006 20 0 BGADMN Cc1cc([C@H]2CCCN2Cc2cccs2)on1 ZINC000334167832 135324669 /nfs/dbraw/zinc/32/46/69/135324669.db2.gz AONQSLONACQRQE-GFCCVEGCSA-N 0 1 248.351 3.382 20 0 BGADMN Cc1cc([C@@H]2CCCN2Cc2cccs2)on1 ZINC000334167843 135324495 /nfs/dbraw/zinc/32/44/95/135324495.db2.gz AONQSLONACQRQE-LBPRGKRZSA-N 0 1 248.351 3.382 20 0 BGADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C)CC2)s1 ZINC000334168672 135324349 /nfs/dbraw/zinc/32/43/49/135324349.db2.gz ASCUTSTXEHYTML-NXEZZACHSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@H](C)N2CCC[C@H](C)CC2)s1 ZINC000334168715 135324324 /nfs/dbraw/zinc/32/43/24/135324324.db2.gz ASCUTSTXEHYTML-UWVGGRQHSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@@H](C)N2CCC[C@H](C)CC2)s1 ZINC000334168734 135324700 /nfs/dbraw/zinc/32/47/00/135324700.db2.gz ASCUTSTXEHYTML-VHSXEESVSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@H](C)N2CCC[C@@H](C)CC2)s1 ZINC000334168738 135324447 /nfs/dbraw/zinc/32/44/47/135324447.db2.gz ASCUTSTXEHYTML-ZJUUUORDSA-N 0 1 239.388 3.030 20 0 BGADMN CCC1(C)CCN(Cc2nc(C)c(C)o2)CC1 ZINC000334174800 352759454 /nfs/dbraw/zinc/75/94/54/352759454.db2.gz BTNCGCGLIXLGDQ-UHFFFAOYSA-N 0 1 236.359 3.304 20 0 BGADMN C[C@@H](Nc1cc2c(cn1)CCC2)c1ccccn1 ZINC000334176501 352761986 /nfs/dbraw/zinc/76/19/86/352761986.db2.gz CACKGXVZFHVSIQ-LLVKDONJSA-N 0 1 239.322 3.138 20 0 BGADMN C[C@H](Nc1cc2c(cn1)CCC2)c1ccccn1 ZINC000334176507 352761777 /nfs/dbraw/zinc/76/17/77/352761777.db2.gz CACKGXVZFHVSIQ-NSHDSACASA-N 0 1 239.322 3.138 20 0 BGADMN Fc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000334181051 634455354 /nfs/dbraw/zinc/45/53/54/634455354.db2.gz DTPUOGDZNOPGLG-GFCCVEGCSA-N 0 1 249.264 3.177 20 0 BGADMN Fc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1F ZINC000334181058 634455116 /nfs/dbraw/zinc/45/51/16/634455116.db2.gz DTPUOGDZNOPGLG-LBPRGKRZSA-N 0 1 249.264 3.177 20 0 BGADMN C[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000334181541 491071382 /nfs/dbraw/zinc/07/13/82/491071382.db2.gz BKGFOKFDVIXYGC-AAEUAGOBSA-N 0 1 246.354 3.036 20 0 BGADMN C[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000334181546 491071366 /nfs/dbraw/zinc/07/13/66/491071366.db2.gz BKGFOKFDVIXYGC-YPMHNXCESA-N 0 1 246.354 3.036 20 0 BGADMN CCC1CCN([C@H](C)c2ncc(C)o2)CC1 ZINC000334195310 352787886 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352827856 /nfs/dbraw/zinc/82/78/56/352827856.db2.gz OEZFHJZZCDESLK-BXKDBHETSA-N 0 1 222.332 3.054 20 0 BGADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc(C)c(C)o1 ZINC000334240144 352827775 /nfs/dbraw/zinc/82/77/75/352827775.db2.gz OEZFHJZZCDESLK-CABZTGNLSA-N 0 1 222.332 3.054 20 0 BGADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C)c(C)o1 ZINC000334240145 352827669 /nfs/dbraw/zinc/82/76/69/352827669.db2.gz OEZFHJZZCDESLK-JOYOIKCWSA-N 0 1 222.332 3.054 20 0 BGADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc(C)c(C)o1 ZINC000334240146 352828070 /nfs/dbraw/zinc/82/80/70/352828070.db2.gz OEZFHJZZCDESLK-SKDRFNHKSA-N 0 1 222.332 3.054 20 0 BGADMN CC(C)(C)c1cnc(CN2CC[C@H]3CCC[C@@H]32)o1 ZINC000334245756 352835745 /nfs/dbraw/zinc/83/57/45/352835745.db2.gz SDVPYFBPYNVFRR-NEPJUHHUSA-N 0 1 248.370 3.347 20 0 BGADMN CC(C)(C)c1cnc(CN2CC[C@@H]3CCC[C@H]32)o1 ZINC000334245758 352835610 /nfs/dbraw/zinc/83/56/10/352835610.db2.gz SDVPYFBPYNVFRR-NWDGAFQWSA-N 0 1 248.370 3.347 20 0 BGADMN CC(C)(C)c1cnc(CN2CC[C@@H]3CCC[C@@H]32)o1 ZINC000334245760 352835417 /nfs/dbraw/zinc/83/54/17/352835417.db2.gz SDVPYFBPYNVFRR-RYUDHWBXSA-N 0 1 248.370 3.347 20 0 BGADMN CC(C)(C)c1cnc(CN2CC[C@H]3CCC[C@H]32)o1 ZINC000334245761 352835074 /nfs/dbraw/zinc/83/50/74/352835074.db2.gz SDVPYFBPYNVFRR-VXGBXAGGSA-N 0 1 248.370 3.347 20 0 BGADMN Cc1nnc([C@@H](C)N2CCCC[C@@H](C)C2)s1 ZINC000334265345 352900391 /nfs/dbraw/zinc/90/03/91/352900391.db2.gz YBLOBXYCHCOKLH-NXEZZACHSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@H](C)N2CCCC[C@H](C)C2)s1 ZINC000334265348 352900371 /nfs/dbraw/zinc/90/03/71/352900371.db2.gz YBLOBXYCHCOKLH-UWVGGRQHSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@@H](C)N2CCCC[C@H](C)C2)s1 ZINC000334265351 352900710 /nfs/dbraw/zinc/90/07/10/352900710.db2.gz YBLOBXYCHCOKLH-VHSXEESVSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@H](C)N2CCCC[C@@H](C)C2)s1 ZINC000334265354 352900474 /nfs/dbraw/zinc/90/04/74/352900474.db2.gz YBLOBXYCHCOKLH-ZJUUUORDSA-N 0 1 239.388 3.030 20 0 BGADMN C[C@@H](NC1CC(C)(C)C1)c1c(F)cncc1F ZINC000334268182 352903650 /nfs/dbraw/zinc/90/36/50/352903650.db2.gz PONBCJWXWPQJPW-MRVPVSSYSA-N 0 1 240.297 3.199 20 0 BGADMN C[C@H](NC1CC(C)(C)C1)c1c(F)cncc1F ZINC000334268183 352903910 /nfs/dbraw/zinc/90/39/10/352903910.db2.gz PONBCJWXWPQJPW-QMMMGPOBSA-N 0 1 240.297 3.199 20 0 BGADMN Cc1cnc([C@@H](C)N2CCCC(C)(C)C2)o1 ZINC000334268454 352904725 /nfs/dbraw/zinc/90/47/25/352904725.db2.gz BWXRQAMZFWPUDL-LLVKDONJSA-N 0 1 222.332 3.166 20 0 BGADMN Cc1cnc([C@H](C)N2CCCC(C)(C)C2)o1 ZINC000334268461 352904983 /nfs/dbraw/zinc/90/49/83/352904983.db2.gz BWXRQAMZFWPUDL-NSHDSACASA-N 0 1 222.332 3.166 20 0 BGADMN Cc1nc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)oc1C ZINC000334273385 135331955 /nfs/dbraw/zinc/33/19/55/135331955.db2.gz ZAGSUSNQFYKDJR-GFCCVEGCSA-N 0 1 236.359 3.159 20 0 BGADMN Cc1nc(C[N@H+]2CC[C@H](C(C)(C)C)C2)oc1C ZINC000334273387 135331666 /nfs/dbraw/zinc/33/16/66/135331666.db2.gz ZAGSUSNQFYKDJR-LBPRGKRZSA-N 0 1 236.359 3.159 20 0 BGADMN Cc1ccc(N[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000334296976 711715125 /nfs/dbraw/zinc/71/51/25/711715125.db2.gz ACYSUXWROBIVMF-CYBMUJFWSA-N 0 1 245.301 3.347 20 0 BGADMN Cc1ccc(N[C@H]2CCCc3[nH]ncc32)cc1F ZINC000334296979 711714868 /nfs/dbraw/zinc/71/48/68/711714868.db2.gz ACYSUXWROBIVMF-ZDUSSCGKSA-N 0 1 245.301 3.347 20 0 BGADMN CCn1ccnc1CN1CCC2(CCCC2)CC1 ZINC000334312104 352943535 /nfs/dbraw/zinc/94/35/35/352943535.db2.gz KQIVKUMSAVDXOP-UHFFFAOYSA-N 0 1 247.386 3.059 20 0 BGADMN Cc1cnc([C@@H](C)N2CC[C@H](C)C(C)(C)C2)o1 ZINC000334313577 135351810 /nfs/dbraw/zinc/35/18/10/135351810.db2.gz NRNKVAIPFMETIB-CMPLNLGQSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)o1 ZINC000334313577 135351809 /nfs/dbraw/zinc/35/18/09/135351809.db2.gz NRNKVAIPFMETIB-CMPLNLGQSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@H](C)N2CC[C@H](C)C(C)(C)C2)o1 ZINC000334313579 135352012 /nfs/dbraw/zinc/35/20/12/135352012.db2.gz NRNKVAIPFMETIB-JQWIXIFHSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)o1 ZINC000334313579 135352011 /nfs/dbraw/zinc/35/20/11/135352011.db2.gz NRNKVAIPFMETIB-JQWIXIFHSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@H](C)N2CC[C@@H](C)C(C)(C)C2)o1 ZINC000334313581 135351948 /nfs/dbraw/zinc/35/19/48/135351948.db2.gz NRNKVAIPFMETIB-PWSUYJOCSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)o1 ZINC000334313581 135351947 /nfs/dbraw/zinc/35/19/47/135351947.db2.gz NRNKVAIPFMETIB-PWSUYJOCSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@@H](C)N2CC[C@@H](C)C(C)(C)C2)o1 ZINC000334313582 135351552 /nfs/dbraw/zinc/35/15/52/135351552.db2.gz NRNKVAIPFMETIB-ZYHUDNBSSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)o1 ZINC000334313582 135351551 /nfs/dbraw/zinc/35/15/51/135351551.db2.gz NRNKVAIPFMETIB-ZYHUDNBSSA-N 0 1 236.359 3.412 20 0 BGADMN Cc1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000334330146 135354314 /nfs/dbraw/zinc/35/43/14/135354314.db2.gz KBCKCMHIJZEPAV-UHFFFAOYSA-N 0 1 229.270 3.065 20 0 BGADMN [O-]c1cccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1Cl ZINC000334349797 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ZINC000334838114 386880369 /nfs/dbraw/zinc/88/03/69/386880369.db2.gz RIHNYQLLURCNIY-UHFFFAOYSA-N 0 1 249.358 3.091 20 0 BGADMN Cc1cc([C@H]2CCCN2Cc2ccoc2C)on1 ZINC000334842903 386887905 /nfs/dbraw/zinc/88/79/05/386887905.db2.gz ZNAKONPSPPQVQW-CYBMUJFWSA-N 0 1 246.310 3.222 20 0 BGADMN Cc1cc([C@@H]2CCCN2Cc2ccoc2C)on1 ZINC000334842904 386888813 /nfs/dbraw/zinc/88/88/13/386888813.db2.gz ZNAKONPSPPQVQW-ZDUSSCGKSA-N 0 1 246.310 3.222 20 0 BGADMN Cc1nc(CN2CCC(C)(C3CC3)CC2)oc1C ZINC000334844286 386890424 /nfs/dbraw/zinc/89/04/24/386890424.db2.gz IBUMDQUDQSGWQM-UHFFFAOYSA-N 0 1 248.370 3.304 20 0 BGADMN C[C@@H](NC1CCC(C)(C)CC1)c1csnn1 ZINC000334846330 384745657 /nfs/dbraw/zinc/74/56/57/384745657.db2.gz HEPLJMBNORRNNA-SECBINFHSA-N 0 1 239.388 3.158 20 0 BGADMN C[C@H](NC1CCC(C)(C)CC1)c1csnn1 ZINC000334846332 384584477 /nfs/dbraw/zinc/58/44/77/384584477.db2.gz HEPLJMBNORRNNA-VIFPVBQESA-N 0 1 239.388 3.158 20 0 BGADMN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1csnn1 ZINC000334847056 384745672 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ZINC000336114210 134087925 /nfs/dbraw/zinc/08/79/25/134087925.db2.gz YTJYYEWKZDYCEO-MNOVXSKESA-N 0 1 234.343 3.030 20 0 BGADMN C[C@H]1CN(Cc2ncc(C3CC3)o2)CC[C@@H]1C ZINC000336114211 134087711 /nfs/dbraw/zinc/08/77/11/134087711.db2.gz YTJYYEWKZDYCEO-QWRGUYRKSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@H]1CCN(Cc2ncc(C3CC3)o2)C[C@H]1C ZINC000336114212 134087810 /nfs/dbraw/zinc/08/78/10/134087810.db2.gz YTJYYEWKZDYCEO-WDEREUQCSA-N 0 1 234.343 3.030 20 0 BGADMN Cc1nc(C(C)C)oc1CN1CCCCC1 ZINC000336118301 134089706 /nfs/dbraw/zinc/08/97/06/134089706.db2.gz PQSBHVAONXHDDJ-UHFFFAOYSA-N 0 1 222.332 3.092 20 0 BGADMN Cc1nc(C(C)C)oc1CN1CCC=C(C)C1 ZINC000336124050 134092236 /nfs/dbraw/zinc/09/22/36/134092236.db2.gz DZJVFYIEBCZGTK-UHFFFAOYSA-N 0 1 234.343 3.258 20 0 BGADMN c1ccc(-c2n[nH]c(SC3CCC3)n2)cc1 ZINC000336127114 134093508 /nfs/dbraw/zinc/09/35/08/134093508.db2.gz KZGYEVMHBWHPFV-UHFFFAOYSA-N 0 1 231.324 3.116 20 0 BGADMN c1cc(CN2CCC[C@H](c3ccccc3)C2)no1 ZINC000336130644 134094057 /nfs/dbraw/zinc/09/40/57/134094057.db2.gz PRXPVYQKZDWFJA-AWEZNQCLSA-N 0 1 242.322 3.054 20 0 BGADMN c1cc(CN2CCC[C@@H](c3ccccc3)C2)no1 ZINC000336130645 134094154 /nfs/dbraw/zinc/09/41/54/134094154.db2.gz PRXPVYQKZDWFJA-CQSZACIVSA-N 0 1 242.322 3.054 20 0 BGADMN Cc1cnc(CN2CC3(CCC3)C[C@@H]2C)s1 ZINC000336131315 134094788 /nfs/dbraw/zinc/09/47/88/134094788.db2.gz DJAQUOBPWUKHRM-JTQLQIEISA-N 0 1 236.384 3.216 20 0 BGADMN Cc1cnc(CN2CC3(CCC3)C[C@H]2C)s1 ZINC000336131316 134094575 /nfs/dbraw/zinc/09/45/75/134094575.db2.gz DJAQUOBPWUKHRM-SNVBAGLBSA-N 0 1 236.384 3.216 20 0 BGADMN Cc1nc(CN2CC3(CCC3)C[C@@H]2C)cs1 ZINC000336136685 134096438 /nfs/dbraw/zinc/09/64/38/134096438.db2.gz MVICQANAWOESRL-JTQLQIEISA-N 0 1 236.384 3.216 20 0 BGADMN Cc1nc(CN2CC3(CCC3)C[C@H]2C)cs1 ZINC000336136686 134096226 /nfs/dbraw/zinc/09/62/26/134096226.db2.gz MVICQANAWOESRL-SNVBAGLBSA-N 0 1 236.384 3.216 20 0 BGADMN CC1(CN2CCCC[C@@H]2c2ncc[nH]2)CCC1 ZINC000336138983 538103186 /nfs/dbraw/zinc/10/31/86/538103186.db2.gz NTUWXUUAMNAIPX-GFCCVEGCSA-N 0 1 233.359 3.127 20 0 BGADMN CC1(CN2CCCC[C@H]2c2ncc[nH]2)CCC1 ZINC000336138984 538103189 /nfs/dbraw/zinc/10/31/89/538103189.db2.gz NTUWXUUAMNAIPX-LBPRGKRZSA-N 0 1 233.359 3.127 20 0 BGADMN c1sc(C2CC2)nc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000336139362 134097119 /nfs/dbraw/zinc/09/71/19/134097119.db2.gz ODDYXDURNPYLCY-GWCFXTLKSA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000336139362 134097118 /nfs/dbraw/zinc/09/71/18/134097118.db2.gz ODDYXDURNPYLCY-GWCFXTLKSA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1CN1CC[C@@H]2CCC[C@H]21 ZINC000336139363 134097418 /nfs/dbraw/zinc/09/74/18/134097418.db2.gz ODDYXDURNPYLCY-GXFFZTMASA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000336139363 134097417 /nfs/dbraw/zinc/09/74/17/134097417.db2.gz ODDYXDURNPYLCY-GXFFZTMASA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1CN1CC[C@H]2CCC[C@@H]21 ZINC000336139364 134097238 /nfs/dbraw/zinc/09/72/38/134097238.db2.gz ODDYXDURNPYLCY-MFKMUULPSA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000336139364 134097237 /nfs/dbraw/zinc/09/72/37/134097237.db2.gz ODDYXDURNPYLCY-MFKMUULPSA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1CN1CC[C@H]2CCC[C@H]21 ZINC000336139365 134097323 /nfs/dbraw/zinc/09/73/23/134097323.db2.gz ODDYXDURNPYLCY-ZWNOBZJWSA-N 0 1 248.395 3.395 20 0 BGADMN c1sc(C2CC2)nc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000336139365 134097322 /nfs/dbraw/zinc/09/73/22/134097322.db2.gz ODDYXDURNPYLCY-ZWNOBZJWSA-N 0 1 248.395 3.395 20 0 BGADMN Cc1ccc([C@@H]2CCCN2Cc2c[nH]cn2)cc1 ZINC000336141918 134100559 /nfs/dbraw/zinc/10/05/59/134100559.db2.gz WAQYNLVHJOTYRM-HNNXBMFYSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)cc1 ZINC000336141918 134100556 /nfs/dbraw/zinc/10/05/56/134100556.db2.gz WAQYNLVHJOTYRM-HNNXBMFYSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1ccc([C@H]2CCCN2Cc2c[nH]cn2)cc1 ZINC000336141919 134100695 /nfs/dbraw/zinc/10/06/95/134100695.db2.gz WAQYNLVHJOTYRM-OAHLLOKOSA-N 0 1 241.338 3.055 20 0 BGADMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)cc1 ZINC000336141919 134100692 /nfs/dbraw/zinc/10/06/92/134100692.db2.gz WAQYNLVHJOTYRM-OAHLLOKOSA-N 0 1 241.338 3.055 20 0 BGADMN C[C@]1(NCc2ccno2)CCCc2ccccc21 ZINC000336148628 134102946 /nfs/dbraw/zinc/10/29/46/134102946.db2.gz CSGHRNKVLVCWOV-HNNXBMFYSA-N 0 1 242.322 3.016 20 0 BGADMN C[C@@]1(NCc2ccno2)CCCc2ccccc21 ZINC000336148629 134103102 /nfs/dbraw/zinc/10/31/02/134103102.db2.gz CSGHRNKVLVCWOV-OAHLLOKOSA-N 0 1 242.322 3.016 20 0 BGADMN Cc1cc([C@H]2CCCN2Cc2ccsc2)on1 ZINC000336160154 134110505 /nfs/dbraw/zinc/11/05/05/134110505.db2.gz QRPFHKKGBGAVSD-GFCCVEGCSA-N 0 1 248.351 3.382 20 0 BGADMN Cc1cc([C@@H]2CCCN2Cc2ccsc2)on1 ZINC000336160155 134110366 /nfs/dbraw/zinc/11/03/66/134110366.db2.gz QRPFHKKGBGAVSD-LBPRGKRZSA-N 0 1 248.351 3.382 20 0 BGADMN Cc1cnc(CN2CCC3(CCCC3)CC2)o1 ZINC000336173428 134115866 /nfs/dbraw/zinc/11/58/66/134115866.db2.gz LCAZQARXPXMESV-UHFFFAOYSA-N 0 1 234.343 3.139 20 0 BGADMN Cc1nc(CN2CCCC3(CCCC3)C2)oc1C ZINC000336180368 134119370 /nfs/dbraw/zinc/11/93/70/134119370.db2.gz WDMMWAXBHOLKQN-UHFFFAOYSA-N 0 1 248.370 3.448 20 0 BGADMN Cc1nc(CN2CCC[C@@H](C(C)C)C2)oc1C ZINC000336183829 134120802 /nfs/dbraw/zinc/12/08/02/134120802.db2.gz ZKHACSHXAHAEQU-CYBMUJFWSA-N 0 1 236.359 3.159 20 0 BGADMN Cc1nc(CN2CCC[C@H](C(C)C)C2)oc1C ZINC000336183830 134120718 /nfs/dbraw/zinc/12/07/18/134120718.db2.gz ZKHACSHXAHAEQU-ZDUSSCGKSA-N 0 1 236.359 3.159 20 0 BGADMN CCc1cnc(CN2CCCC23CCC3)s1 ZINC000336184568 536034093 /nfs/dbraw/zinc/03/40/93/536034093.db2.gz ICAZACGPIQBPBM-UHFFFAOYSA-N 0 1 236.384 3.224 20 0 BGADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCC1(F)F ZINC000336191120 134123243 /nfs/dbraw/zinc/12/32/43/134123243.db2.gz ZQTVYRJLESLEKU-GHMZBOCLSA-N 0 1 215.287 3.072 20 0 BGADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCC1(F)F ZINC000336191121 134123289 /nfs/dbraw/zinc/12/32/89/134123289.db2.gz ZQTVYRJLESLEKU-MNOVXSKESA-N 0 1 215.287 3.072 20 0 BGADMN C[C@H]1C[N@H+]([C@H]2C=CCCC2)CCC1(F)F ZINC000336191122 134123396 /nfs/dbraw/zinc/12/33/96/134123396.db2.gz ZQTVYRJLESLEKU-QWRGUYRKSA-N 0 1 215.287 3.072 20 0 BGADMN C[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCC1(F)F ZINC000336191123 134123325 /nfs/dbraw/zinc/12/33/25/134123325.db2.gz ZQTVYRJLESLEKU-WDEREUQCSA-N 0 1 215.287 3.072 20 0 BGADMN FC1(F)CC(CN2Cc3ccccc3C2)C1 ZINC000336198491 134127491 /nfs/dbraw/zinc/12/74/91/134127491.db2.gz JJCAWYITFDJCPN-UHFFFAOYSA-N 0 1 223.266 3.048 20 0 BGADMN C[C@@H]1c2ccccc2CN1CCc1cscn1 ZINC000336199808 134128657 /nfs/dbraw/zinc/12/86/57/134128657.db2.gz TVIOAYLWWOGILE-LLVKDONJSA-N 0 1 244.363 3.262 20 0 BGADMN C[C@H]1c2ccccc2CN1CCc1cscn1 ZINC000336199809 134128687 /nfs/dbraw/zinc/12/86/87/134128687.db2.gz TVIOAYLWWOGILE-NSHDSACASA-N 0 1 244.363 3.262 20 0 BGADMN CC1=CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000336206894 134132260 /nfs/dbraw/zinc/13/22/60/134132260.db2.gz MHZKBUVZRNQPCD-UHFFFAOYSA-N 0 1 245.370 3.150 20 0 BGADMN CC1=CC[C@@H](N[C@H](C)C(C)(F)F)CC1 ZINC000336210093 134133841 /nfs/dbraw/zinc/13/38/41/134133841.db2.gz FPGOMUFCDUCLKR-NXEZZACHSA-N 0 1 203.276 3.119 20 0 BGADMN CC1=CC[C@H](N[C@@H](C)C(C)(F)F)CC1 ZINC000336210094 134133845 /nfs/dbraw/zinc/13/38/45/134133845.db2.gz FPGOMUFCDUCLKR-UWVGGRQHSA-N 0 1 203.276 3.119 20 0 BGADMN CC1=CC[C@@H](N[C@@H](C)C(C)(F)F)CC1 ZINC000336210095 134134002 /nfs/dbraw/zinc/13/40/02/134134002.db2.gz FPGOMUFCDUCLKR-VHSXEESVSA-N 0 1 203.276 3.119 20 0 BGADMN CC1=CC[C@H](N[C@H](C)C(C)(F)F)CC1 ZINC000336210096 134133720 /nfs/dbraw/zinc/13/37/20/134133720.db2.gz FPGOMUFCDUCLKR-ZJUUUORDSA-N 0 1 203.276 3.119 20 0 BGADMN Cc1cnccc1CN1CC[C@H]1c1ccccc1 ZINC000336211419 134134646 /nfs/dbraw/zinc/13/46/46/134134646.db2.gz UVSBKLMTGDYQIX-INIZCTEOSA-N 0 1 238.334 3.337 20 0 BGADMN Cc1cnccc1CN1CC[C@@H]1c1ccccc1 ZINC000336211420 134134704 /nfs/dbraw/zinc/13/47/04/134134704.db2.gz UVSBKLMTGDYQIX-MRXNPFEDSA-N 0 1 238.334 3.337 20 0 BGADMN CC1(F)CC([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000336215461 134137037 /nfs/dbraw/zinc/13/70/37/134137037.db2.gz OVJMPOLSKQFDRO-UHFFFAOYSA-N 0 1 243.709 3.026 20 0 BGADMN Oc1cccc(CN2CC[C@@H]2C2CC2)c1Cl ZINC000336216334 134137359 /nfs/dbraw/zinc/13/73/59/134137359.db2.gz SUFISRBAZAXHGE-LLVKDONJSA-N 0 1 237.730 3.030 20 0 BGADMN Oc1cccc(CN2CC[C@H]2C2CC2)c1Cl ZINC000336216335 134137213 /nfs/dbraw/zinc/13/72/13/134137213.db2.gz SUFISRBAZAXHGE-NSHDSACASA-N 0 1 237.730 3.030 20 0 BGADMN Cc1cnc(CN[C@@H]2CCCC(F)(F)C2)s1 ZINC000336217529 134137688 /nfs/dbraw/zinc/13/76/88/134137688.db2.gz GMGHNBJFTGSRAY-SECBINFHSA-N 0 1 246.326 3.119 20 0 BGADMN Cc1cnc(CN[C@H]2CCCC(F)(F)C2)s1 ZINC000336217530 134138151 /nfs/dbraw/zinc/13/81/51/134138151.db2.gz GMGHNBJFTGSRAY-VIFPVBQESA-N 0 1 246.326 3.119 20 0 BGADMN Cc1cc(CN2CC[C@@H](F)C2)c2ccccc2n1 ZINC000336223074 178002010 /nfs/dbraw/zinc/00/20/10/178002010.db2.gz AHYLQSYNDKWWMW-CYBMUJFWSA-N 0 1 244.313 3.087 20 0 BGADMN Cc1cc(CN2CC[C@H](F)C2)c2ccccc2n1 ZINC000336223075 178002778 /nfs/dbraw/zinc/00/27/78/178002778.db2.gz AHYLQSYNDKWWMW-ZDUSSCGKSA-N 0 1 244.313 3.087 20 0 BGADMN c1cc(CN2CCC23CCC3)n(C2CCCC2)n1 ZINC000336227001 183340224 /nfs/dbraw/zinc/34/02/24/183340224.db2.gz BLKOANOSWSYUJY-UHFFFAOYSA-N 0 1 245.370 3.127 20 0 BGADMN Cc1cc(CN2CC3(CCC3(F)F)C2)cs1 ZINC000336228993 387068424 /nfs/dbraw/zinc/06/84/24/387068424.db2.gz FDDFLCAYWVLHEI-UHFFFAOYSA-N 0 1 243.322 3.288 20 0 BGADMN Cc1nc(CN2CCC3(CCC3)C2)c(C)s1 ZINC000336230058 384173336 /nfs/dbraw/zinc/17/33/36/384173336.db2.gz GSTDBPJMFFKCAU-UHFFFAOYSA-N 0 1 236.384 3.136 20 0 BGADMN Cc1cncc(CN2CC[C@H]2c2ccccc2)c1 ZINC000336232863 387071469 /nfs/dbraw/zinc/07/14/69/387071469.db2.gz AIHORXQUSBAEPH-INIZCTEOSA-N 0 1 238.334 3.337 20 0 BGADMN Cc1cncc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000336232864 387071012 /nfs/dbraw/zinc/07/10/12/387071012.db2.gz AIHORXQUSBAEPH-MRXNPFEDSA-N 0 1 238.334 3.337 20 0 BGADMN Cc1cc(CN[C@H]2CCCc3occc32)ccn1 ZINC000336233768 178040505 /nfs/dbraw/zinc/04/05/05/178040505.db2.gz HFXZCVQIYZSSPS-AWEZNQCLSA-N 0 1 242.322 3.150 20 0 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REFKFLMWOTZIQC-ZCFIWIBFSA-N 0 1 241.253 3.215 20 0 BGADMN CN(C)Cc1cc(NCC2CC2)ccc1Cl ZINC000336765872 387097998 /nfs/dbraw/zinc/09/79/98/387097998.db2.gz OITYTACRVYZFTM-UHFFFAOYSA-N 0 1 238.762 3.224 20 0 BGADMN C[C@@H](CNCc1ccc(Cl)o1)C(F)(F)F ZINC000336766080 387100086 /nfs/dbraw/zinc/10/00/86/387100086.db2.gz RVSTXCIJFPTPAA-LURJTMIESA-N 0 1 241.640 3.221 20 0 BGADMN C[C@H](CNCc1ccc(Cl)o1)C(F)(F)F ZINC000336766081 387099947 /nfs/dbraw/zinc/09/99/47/387099947.db2.gz RVSTXCIJFPTPAA-ZCFIWIBFSA-N 0 1 241.640 3.221 20 0 BGADMN Cc1cccc(NC[C@@H](C)C(F)(F)F)n1 ZINC000336767403 136221382 /nfs/dbraw/zinc/22/13/82/136221382.db2.gz TUJWLHBEWWVASI-SSDOTTSWSA-N 0 1 218.222 3.000 20 0 BGADMN Cc1cccc(NC[C@H](C)C(F)(F)F)n1 ZINC000336767404 136221278 /nfs/dbraw/zinc/22/12/78/136221278.db2.gz TUJWLHBEWWVASI-ZETCQYMHSA-N 0 1 218.222 3.000 20 0 BGADMN C[C@H](CN[C@H](C)c1ccco1)C(F)(F)F ZINC000336768350 188176737 /nfs/dbraw/zinc/17/67/37/188176737.db2.gz UNQNFGFBPHPELN-HTQZYQBOSA-N 0 1 221.222 3.129 20 0 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/nfs/dbraw/zinc/98/88/73/171988873.db2.gz KHEXTWAEVWQQAR-NSHDSACASA-N 0 1 236.384 3.128 20 0 BGADMN CCc1nc(CNCCC2(F)CCC2)cs1 ZINC000336781394 353648195 /nfs/dbraw/zinc/64/81/95/353648195.db2.gz UNYCCMJYVRXQCW-UHFFFAOYSA-N 0 1 242.363 3.077 20 0 BGADMN CCc1nc(CNC2CC3(CCC3)C2)cs1 ZINC000336781703 398254027 /nfs/dbraw/zinc/25/40/27/398254027.db2.gz VIMXVDNYDKRBTH-UHFFFAOYSA-N 0 1 236.384 3.128 20 0 BGADMN C[C@H](Nc1cc2c(cn1)CCCC2)C1CC1 ZINC000336782760 386651088 /nfs/dbraw/zinc/65/10/88/386651088.db2.gz YSLWLJYLYZKUHT-JTQLQIEISA-N 0 1 216.328 3.171 20 0 BGADMN C[C@@H](Nc1cc2c(cn1)CCCC2)C1CC1 ZINC000336782761 386651744 /nfs/dbraw/zinc/65/17/44/386651744.db2.gz YSLWLJYLYZKUHT-SNVBAGLBSA-N 0 1 216.328 3.171 20 0 BGADMN CC1(C)CC[C@H]1NCc1csc(C2CC2)n1 ZINC000336783168 188084172 /nfs/dbraw/zinc/08/41/72/188084172.db2.gz ZPAZAQIJFSDSNZ-LLVKDONJSA-N 0 1 236.384 3.299 20 0 BGADMN CC1(C)CC[C@@H]1NCc1csc(C2CC2)n1 ZINC000336783169 353746989 /nfs/dbraw/zinc/74/69/89/353746989.db2.gz ZPAZAQIJFSDSNZ-NSHDSACASA-N 0 1 236.384 3.299 20 0 BGADMN CCN(CC1CCC1)[C@@H](C)c1nc(C2CC2)no1 ZINC000336783376 386509003 /nfs/dbraw/zinc/50/90/03/386509003.db2.gz JXZKXUQQMJVDKV-JTQLQIEISA-N 0 1 249.358 3.130 20 0 BGADMN CCN(CC1CCC1)[C@H](C)c1nc(C2CC2)no1 ZINC000336783377 386507166 /nfs/dbraw/zinc/50/71/66/386507166.db2.gz JXZKXUQQMJVDKV-SNVBAGLBSA-N 0 1 249.358 3.130 20 0 BGADMN c1cn(C2CCCC2)nc1CN1CCCCCC1 ZINC000336788218 387042905 /nfs/dbraw/zinc/04/29/05/387042905.db2.gz GOYUXTSMRKITCR-UHFFFAOYSA-N 0 1 247.386 3.374 20 0 BGADMN Cc1ccoc1CNCc1cccc2[nH]ccc21 ZINC000336790093 387654932 /nfs/dbraw/zinc/65/49/32/387654932.db2.gz KMBBYWVBOXSCPU-UHFFFAOYSA-N 0 1 240.306 3.359 20 0 BGADMN Cc1ccc(CNC(C)(C)c2ccccc2)nc1 ZINC000336790832 387582543 /nfs/dbraw/zinc/58/25/43/387582543.db2.gz YINXZTJUOZZYIF-UHFFFAOYSA-N 0 1 240.350 3.415 20 0 BGADMN CCc1nc(C)c(CNCc2ccccc2C)o1 ZINC000336813822 361238057 /nfs/dbraw/zinc/23/80/57/361238057.db2.gz DGKBWDPRONGDNU-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN CCc1nc(C)c(CNCc2cccc(C)c2)o1 ZINC000336818163 364882171 /nfs/dbraw/zinc/88/21/71/364882171.db2.gz UIWUEHUOQOWBRB-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN CC[C@@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000336887284 388428770 /nfs/dbraw/zinc/42/87/70/388428770.db2.gz CUSQIYHQAXGNPH-SECBINFHSA-N 0 1 227.735 3.276 20 0 BGADMN CC[C@@H](C)[N@@H+](C)Cc1cccc(O)c1Cl ZINC000336887284 388428766 /nfs/dbraw/zinc/42/87/66/388428766.db2.gz CUSQIYHQAXGNPH-SECBINFHSA-N 0 1 227.735 3.276 20 0 BGADMN CC[C@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000336887285 171308468 /nfs/dbraw/zinc/30/84/68/171308468.db2.gz CUSQIYHQAXGNPH-VIFPVBQESA-N 0 1 227.735 3.276 20 0 BGADMN CC[C@H](C)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000336887285 171308466 /nfs/dbraw/zinc/30/84/66/171308466.db2.gz CUSQIYHQAXGNPH-VIFPVBQESA-N 0 1 227.735 3.276 20 0 BGADMN C[C@H]1C[N@@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000336888657 176305810 /nfs/dbraw/zinc/30/58/10/176305810.db2.gz FJISJYIXXRQOBQ-AOOOYVTPSA-N 0 1 239.746 3.133 20 0 BGADMN C[C@H]1C[N@H+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000336888657 176305809 /nfs/dbraw/zinc/30/58/09/176305809.db2.gz FJISJYIXXRQOBQ-AOOOYVTPSA-N 0 1 239.746 3.133 20 0 BGADMN C[C@@H]1C[NH+](Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000336888660 176306241 /nfs/dbraw/zinc/30/62/41/176306241.db2.gz FJISJYIXXRQOBQ-NXEZZACHSA-N 0 1 239.746 3.133 20 0 BGADMN C[C@H]1C[NH+](Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC000336888661 177264587 /nfs/dbraw/zinc/26/45/87/177264587.db2.gz FJISJYIXXRQOBQ-UWVGGRQHSA-N 0 1 239.746 3.133 20 0 BGADMN CCCc1csc(CN2CCCCCC2)n1 ZINC000336888695 388430872 /nfs/dbraw/zinc/43/08/72/388430872.db2.gz FKJNZBPHXKNDLM-UHFFFAOYSA-N 0 1 238.400 3.472 20 0 BGADMN C[C@H]1CC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000336889629 177193722 /nfs/dbraw/zinc/19/37/22/177193722.db2.gz GNFQEACKBDPANE-GXSJLCMTSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H]1CC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000336889630 176233980 /nfs/dbraw/zinc/23/39/80/176233980.db2.gz GNFQEACKBDPANE-KOLCDFICSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000336889631 176213106 /nfs/dbraw/zinc/21/31/06/176213106.db2.gz GNFQEACKBDPANE-MWLCHTKSSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@H]1CC[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000336889632 177205517 /nfs/dbraw/zinc/20/55/17/177205517.db2.gz GNFQEACKBDPANE-ONGXEEELSA-N 0 1 239.746 3.324 20 0 BGADMN CC1(C)CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000336894097 365380810 /nfs/dbraw/zinc/38/08/10/365380810.db2.gz LMRVYDLAPIKBCO-UHFFFAOYSA-N 0 1 239.746 3.420 20 0 BGADMN CC1(C)CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000336894097 365380808 /nfs/dbraw/zinc/38/08/08/365380808.db2.gz LMRVYDLAPIKBCO-UHFFFAOYSA-N 0 1 239.746 3.420 20 0 BGADMN CC1(C)C[C@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000336897136 364848017 /nfs/dbraw/zinc/84/80/17/364848017.db2.gz OUAHCEVXOGVPFE-JTQLQIEISA-N 0 1 239.746 3.181 20 0 BGADMN CC1(C)C[C@@H]1C[NH2+]Cc1cccc([O-])c1Cl ZINC000336897139 136376410 /nfs/dbraw/zinc/37/64/10/136376410.db2.gz OUAHCEVXOGVPFE-SNVBAGLBSA-N 0 1 239.746 3.181 20 0 BGADMN CCC1(C[NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000336904326 388441470 /nfs/dbraw/zinc/44/14/70/388441470.db2.gz VXMPLEQWKQEGQJ-UHFFFAOYSA-N 0 1 239.746 3.325 20 0 BGADMN CC[C@@H]1CCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000336904700 364884861 /nfs/dbraw/zinc/88/48/61/364884861.db2.gz WBOGGJQXFZPRTM-LLVKDONJSA-N 0 1 239.746 3.420 20 0 BGADMN CC[C@@H]1CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000336904700 364884856 /nfs/dbraw/zinc/88/48/56/364884856.db2.gz WBOGGJQXFZPRTM-LLVKDONJSA-N 0 1 239.746 3.420 20 0 BGADMN CC[C@H]1CCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000336904701 388442382 /nfs/dbraw/zinc/44/23/82/388442382.db2.gz WBOGGJQXFZPRTM-NSHDSACASA-N 0 1 239.746 3.420 20 0 BGADMN CC[C@H]1CCC[N@H+]1Cc1cccc(O)c1Cl ZINC000336904701 388442380 /nfs/dbraw/zinc/44/23/80/388442380.db2.gz WBOGGJQXFZPRTM-NSHDSACASA-N 0 1 239.746 3.420 20 0 BGADMN C[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000336905779 177101450 /nfs/dbraw/zinc/10/14/50/177101450.db2.gz XEFURPWVIUCBPF-JTQLQIEISA-N 0 1 239.746 3.278 20 0 BGADMN C[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000336905779 177101449 /nfs/dbraw/zinc/10/14/49/177101449.db2.gz XEFURPWVIUCBPF-JTQLQIEISA-N 0 1 239.746 3.278 20 0 BGADMN C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000336905780 176101058 /nfs/dbraw/zinc/10/10/58/176101058.db2.gz XEFURPWVIUCBPF-SNVBAGLBSA-N 0 1 239.746 3.278 20 0 BGADMN C[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000336905780 176101056 /nfs/dbraw/zinc/10/10/56/176101056.db2.gz XEFURPWVIUCBPF-SNVBAGLBSA-N 0 1 239.746 3.278 20 0 BGADMN CC(C)C[C@@H](C)CN(C)Cc1cscn1 ZINC000337137176 188361761 /nfs/dbraw/zinc/36/17/61/188361761.db2.gz NXNKCMMDLDGAPR-LLVKDONJSA-N 0 1 226.389 3.257 20 0 BGADMN CC(C)C[C@H](C)CN(C)Cc1cscn1 ZINC000337137177 386623302 /nfs/dbraw/zinc/62/33/02/386623302.db2.gz NXNKCMMDLDGAPR-NSHDSACASA-N 0 1 226.389 3.257 20 0 BGADMN Cc1cc(CN(C)C[C@H](C)CC(C)C)no1 ZINC000337138205 386623867 /nfs/dbraw/zinc/62/38/67/386623867.db2.gz QMERMWHCEBMVBN-LLVKDONJSA-N 0 1 224.348 3.097 20 0 BGADMN Cc1cc(CN(C)C[C@@H](C)CC(C)C)no1 ZINC000337138206 386622481 /nfs/dbraw/zinc/62/24/81/386622481.db2.gz QMERMWHCEBMVBN-NSHDSACASA-N 0 1 224.348 3.097 20 0 BGADMN CC(C)C[C@@H](C)CN(C)Cc1nccs1 ZINC000337173907 187835113 /nfs/dbraw/zinc/83/51/13/187835113.db2.gz HLHZYTZZMJPBBT-LLVKDONJSA-N 0 1 226.389 3.257 20 0 BGADMN CC(C)C[C@H](C)CN(C)Cc1nccs1 ZINC000337173909 188185106 /nfs/dbraw/zinc/18/51/06/188185106.db2.gz HLHZYTZZMJPBBT-NSHDSACASA-N 0 1 226.389 3.257 20 0 BGADMN CC(C)(C)CCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000337179273 386637519 /nfs/dbraw/zinc/63/75/19/386637519.db2.gz LBSRTVDKXRUSIK-GFCCVEGCSA-N 0 1 235.375 3.373 20 0 BGADMN CC(C)(C)CCCN1CCC[C@H]1c1ncc[nH]1 ZINC000337179274 386637616 /nfs/dbraw/zinc/63/76/16/386637616.db2.gz LBSRTVDKXRUSIK-LBPRGKRZSA-N 0 1 235.375 3.373 20 0 BGADMN FC1=CCCN(CCCCC2CCOCC2)C1 ZINC000337195500 386645781 /nfs/dbraw/zinc/64/57/81/386645781.db2.gz WUGXJKYOWBQNGH-UHFFFAOYSA-N 0 1 241.350 3.142 20 0 BGADMN CC[C@@H](C)N1CCc2c(F)ccc(F)c2C1 ZINC000337210788 386669245 /nfs/dbraw/zinc/66/92/45/386669245.db2.gz DACFTIKPYXJUID-SECBINFHSA-N 0 1 225.282 3.121 20 0 BGADMN CC[C@H](C)N1CCc2c(F)ccc(F)c2C1 ZINC000337210789 171320956 /nfs/dbraw/zinc/32/09/56/171320956.db2.gz DACFTIKPYXJUID-VIFPVBQESA-N 0 1 225.282 3.121 20 0 BGADMN CC[C@@H](C)N1CCc2ccc(F)c(F)c2C1 ZINC000337258563 386692466 /nfs/dbraw/zinc/69/24/66/386692466.db2.gz VBNMDHRJMVCFHH-SECBINFHSA-N 0 1 225.282 3.121 20 0 BGADMN CC[C@H](C)N1CCc2ccc(F)c(F)c2C1 ZINC000337258564 171320885 /nfs/dbraw/zinc/32/08/85/171320885.db2.gz VBNMDHRJMVCFHH-VIFPVBQESA-N 0 1 225.282 3.121 20 0 BGADMN CC[C@@H](C)N1CCc2c(F)cc(F)cc2C1 ZINC000337259540 386691079 /nfs/dbraw/zinc/69/10/79/386691079.db2.gz WCLUGDRBXHLFPM-SECBINFHSA-N 0 1 225.282 3.121 20 0 BGADMN CC[C@H](C)N1CCc2c(F)cc(F)cc2C1 ZINC000337259541 171321020 /nfs/dbraw/zinc/32/10/20/171321020.db2.gz WCLUGDRBXHLFPM-VIFPVBQESA-N 0 1 225.282 3.121 20 0 BGADMN CCC[C@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000337301668 385589683 /nfs/dbraw/zinc/58/96/83/385589683.db2.gz ORLRXMCQCSOIRU-JTQLQIEISA-N 0 1 222.332 3.172 20 0 BGADMN CCC[C@@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000337301669 169365525 /nfs/dbraw/zinc/36/55/25/169365525.db2.gz ORLRXMCQCSOIRU-SNVBAGLBSA-N 0 1 222.332 3.172 20 0 BGADMN CC(C)n1ccnc1CN(C)C1CCC(C)CC1 ZINC000337315546 168160525 /nfs/dbraw/zinc/16/05/25/168160525.db2.gz CIMCIAIKTFDBDM-UHFFFAOYSA-N 0 1 249.402 3.475 20 0 BGADMN CCc1cc(OC)ccc1CNCc1ccoc1 ZINC000337342196 171772732 /nfs/dbraw/zinc/77/27/32/171772732.db2.gz QYYOEZLJTSMQBG-UHFFFAOYSA-N 0 1 245.322 3.140 20 0 BGADMN CCc1cc(OC)ccc1CNCc1ccco1 ZINC000337345403 385612573 /nfs/dbraw/zinc/61/25/73/385612573.db2.gz UYYQOPUSXXKBRR-UHFFFAOYSA-N 0 1 245.322 3.140 20 0 BGADMN CCCC[C@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000337447306 350585793 /nfs/dbraw/zinc/58/57/93/350585793.db2.gz GGAAREVMHQSEFA-JTQLQIEISA-N 0 1 245.326 3.328 20 0 BGADMN CCCC[C@@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000337447308 350585942 /nfs/dbraw/zinc/58/59/42/350585942.db2.gz GGAAREVMHQSEFA-SNVBAGLBSA-N 0 1 245.326 3.328 20 0 BGADMN CCC[C@@H](C)N1CCOc2c(F)cccc2C1 ZINC000337459022 169367387 /nfs/dbraw/zinc/36/73/87/169367387.db2.gz JHRCUTSSXUEMSF-LLVKDONJSA-N 0 1 237.318 3.209 20 0 BGADMN CCC[C@H](C)N1CCOc2c(F)cccc2C1 ZINC000337459023 385670015 /nfs/dbraw/zinc/67/00/15/385670015.db2.gz JHRCUTSSXUEMSF-NSHDSACASA-N 0 1 237.318 3.209 20 0 BGADMN Cc1cc([C@@H](C)NCc2cncc(C)c2)oc1C ZINC000337472785 385676221 /nfs/dbraw/zinc/67/62/21/385676221.db2.gz OCOBMAMKXUSJEW-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc([C@H](C)NCc2cncc(C)c2)oc1C ZINC000337472786 385677880 /nfs/dbraw/zinc/67/78/80/385677880.db2.gz OCOBMAMKXUSJEW-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN CCN(CCOC)[C@H](C)c1ccccc1Cl ZINC000337496820 385684035 /nfs/dbraw/zinc/68/40/35/385684035.db2.gz GKUYVBRMDYCLSC-LLVKDONJSA-N 0 1 241.762 3.369 20 0 BGADMN CCN(CCOC)[C@@H](C)c1ccccc1Cl ZINC000337496828 385683728 /nfs/dbraw/zinc/68/37/28/385683728.db2.gz GKUYVBRMDYCLSC-NSHDSACASA-N 0 1 241.762 3.369 20 0 BGADMN CC1(C)C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000337516316 385700097 /nfs/dbraw/zinc/70/00/97/385700097.db2.gz IUYGYXUVLBWNHW-ZETCQYMHSA-N 0 1 239.702 3.030 20 0 BGADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](C)C1 ZINC000337626179 176179975 /nfs/dbraw/zinc/17/99/75/176179975.db2.gz AONQSKXNUYMFSM-NXEZZACHSA-N 0 1 225.282 3.368 20 0 BGADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](C)C1 ZINC000337626568 177169726 /nfs/dbraw/zinc/16/97/26/177169726.db2.gz AONQSKXNUYMFSM-UWVGGRQHSA-N 0 1 225.282 3.368 20 0 BGADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](C)C1 ZINC000337626570 177170242 /nfs/dbraw/zinc/17/02/42/177170242.db2.gz AONQSKXNUYMFSM-VHSXEESVSA-N 0 1 225.282 3.368 20 0 BGADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C)C1 ZINC000337626572 176012689 /nfs/dbraw/zinc/01/26/89/176012689.db2.gz AONQSKXNUYMFSM-ZJUUUORDSA-N 0 1 225.282 3.368 20 0 BGADMN CCC1CCC(N(C)Cc2nccn2CC)CC1 ZINC000337633601 385730862 /nfs/dbraw/zinc/73/08/62/385730862.db2.gz QRXHJJPYBRHAQJ-UHFFFAOYSA-N 0 1 249.402 3.304 20 0 BGADMN CCN(Cc1c(F)cccc1F)CC(C)C ZINC000337637701 350601215 /nfs/dbraw/zinc/60/12/15/350601215.db2.gz CXJYUZMMUVVABK-UHFFFAOYSA-N 0 1 227.298 3.443 20 0 BGADMN CCCN(CC)Cc1c(F)cccc1F ZINC000337639294 169130662 /nfs/dbraw/zinc/13/06/62/169130662.db2.gz DQQHTMVGTNZZKQ-UHFFFAOYSA-N 0 1 213.271 3.197 20 0 BGADMN CCC1(C)CCN(Cc2nccn2C(C)C)CC1 ZINC000337675039 385749991 /nfs/dbraw/zinc/74/99/91/385749991.db2.gz FNAVTAXZXCTVFP-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN CC(C)c1nc(CN2CC[C@H](C)C2)cs1 ZINC000337685917 385747573 /nfs/dbraw/zinc/74/75/73/385747573.db2.gz KSYQOJMNFNKCCC-JTQLQIEISA-N 0 1 224.373 3.108 20 0 BGADMN CC(C)c1nc(CN2CC[C@@H](C)C2)cs1 ZINC000337685918 385748052 /nfs/dbraw/zinc/74/80/52/385748052.db2.gz KSYQOJMNFNKCCC-SNVBAGLBSA-N 0 1 224.373 3.108 20 0 BGADMN CCCCc1nc(CN2CC[C@@H](C)C2)cs1 ZINC000337704869 169025850 /nfs/dbraw/zinc/02/58/50/169025850.db2.gz ZFNFBZGUQPPWNE-LLVKDONJSA-N 0 1 238.400 3.328 20 0 BGADMN CCCCc1nc(CN2CC[C@H](C)C2)cs1 ZINC000337704870 169026314 /nfs/dbraw/zinc/02/63/14/169026314.db2.gz ZFNFBZGUQPPWNE-NSHDSACASA-N 0 1 238.400 3.328 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccncc2F)c1 ZINC000337944617 179099382 /nfs/dbraw/zinc/09/93/82/179099382.db2.gz PDZKLPPXQGMVQU-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2ccncc2F)c1 ZINC000337944713 179098464 /nfs/dbraw/zinc/09/84/64/179098464.db2.gz PDZKLPPXQGMVQU-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccccc1CN[C@H](C)c1ccncc1F ZINC000337952048 179284421 /nfs/dbraw/zinc/28/44/21/179284421.db2.gz WOXPKCJMALIXPI-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccccc1CN[C@@H](C)c1ccncc1F ZINC000337952050 179282280 /nfs/dbraw/zinc/28/22/80/179282280.db2.gz WOXPKCJMALIXPI-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN C[C@@H](NCc1ccccc1)c1ccncc1F ZINC000337952480 385860192 /nfs/dbraw/zinc/86/01/92/385860192.db2.gz AHTFACFGQWHMPB-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1ccccc1)c1ccncc1F ZINC000337952481 385860682 /nfs/dbraw/zinc/86/06/82/385860682.db2.gz AHTFACFGQWHMPB-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccncc2F)cc1 ZINC000337954040 385861399 /nfs/dbraw/zinc/86/13/99/385861399.db2.gz OOLLFZAMZMTEIE-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccncc2F)cc1 ZINC000337954041 385861422 /nfs/dbraw/zinc/86/14/22/385861422.db2.gz OOLLFZAMZMTEIE-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1nnc([C@@H](C)N(C)CC2CCCC2)s1 ZINC000338233135 385922929 /nfs/dbraw/zinc/92/29/29/385922929.db2.gz GOLRZBRZDOPXIW-SECBINFHSA-N 0 1 239.388 3.030 20 0 BGADMN Cc1nnc([C@H](C)N(C)CC2CCCC2)s1 ZINC000338233137 385922490 /nfs/dbraw/zinc/92/24/90/385922490.db2.gz GOLRZBRZDOPXIW-VIFPVBQESA-N 0 1 239.388 3.030 20 0 BGADMN CC(C)SCCN(C)Cc1ccccc1F ZINC000338234975 167324241 /nfs/dbraw/zinc/32/42/41/167324241.db2.gz GBYCVIPYPNUZJK-UHFFFAOYSA-N 0 1 241.375 3.399 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000338256548 176174371 /nfs/dbraw/zinc/17/43/71/176174371.db2.gz KZJHTGMTMUAHFZ-SECBINFHSA-N 0 1 227.710 3.321 20 0 BGADMN C[C@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000338256554 177163902 /nfs/dbraw/zinc/16/39/02/177163902.db2.gz KZJHTGMTMUAHFZ-VIFPVBQESA-N 0 1 227.710 3.321 20 0 BGADMN C[C@@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000338257771 176174399 /nfs/dbraw/zinc/17/43/99/176174399.db2.gz QXYJUSNGAOKUMW-SECBINFHSA-N 0 1 227.710 3.321 20 0 BGADMN C[C@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000338257773 177164044 /nfs/dbraw/zinc/16/40/44/177164044.db2.gz QXYJUSNGAOKUMW-VIFPVBQESA-N 0 1 227.710 3.321 20 0 BGADMN FC1=CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338290082 385941981 /nfs/dbraw/zinc/94/19/81/385941981.db2.gz TVVFZWYQJARIJS-JTQLQIEISA-N 0 1 233.277 3.371 20 0 BGADMN FC1=CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338290083 385944268 /nfs/dbraw/zinc/94/42/68/385944268.db2.gz TVVFZWYQJARIJS-SNVBAGLBSA-N 0 1 233.277 3.371 20 0 BGADMN CC[C@@H](C)CN(CC)[C@H](C)c1nnc(C)s1 ZINC000338304011 385952111 /nfs/dbraw/zinc/95/21/11/385952111.db2.gz HOBVEEQJJFUCBD-NXEZZACHSA-N 0 1 241.404 3.276 20 0 BGADMN CC[C@H](C)CN(CC)[C@@H](C)c1nnc(C)s1 ZINC000338304013 171277929 /nfs/dbraw/zinc/27/79/29/171277929.db2.gz HOBVEEQJJFUCBD-UWVGGRQHSA-N 0 1 241.404 3.276 20 0 BGADMN CC[C@H](C)CN(CC)[C@H](C)c1nnc(C)s1 ZINC000338304014 171277994 /nfs/dbraw/zinc/27/79/94/171277994.db2.gz HOBVEEQJJFUCBD-VHSXEESVSA-N 0 1 241.404 3.276 20 0 BGADMN CC[C@@H](C)CN(CC)[C@@H](C)c1nnc(C)s1 ZINC000338304016 385952402 /nfs/dbraw/zinc/95/24/02/385952402.db2.gz HOBVEEQJJFUCBD-ZJUUUORDSA-N 0 1 241.404 3.276 20 0 BGADMN CC[C@@H](C)CN1CCOc2cccc(F)c2C1 ZINC000338317181 385966783 /nfs/dbraw/zinc/96/67/83/385966783.db2.gz HSWAMAQPEBPDDS-LLVKDONJSA-N 0 1 237.318 3.066 20 0 BGADMN CC[C@H](C)CN1CCOc2cccc(F)c2C1 ZINC000338317183 171280618 /nfs/dbraw/zinc/28/06/18/171280618.db2.gz HSWAMAQPEBPDDS-NSHDSACASA-N 0 1 237.318 3.066 20 0 BGADMN CCC[C@@H](C)N1CCOc2cccc(F)c2C1 ZINC000338317328 169367817 /nfs/dbraw/zinc/36/78/17/169367817.db2.gz KJKVMNNXIHNMKR-LLVKDONJSA-N 0 1 237.318 3.209 20 0 BGADMN CCC[C@H](C)N1CCOc2cccc(F)c2C1 ZINC000338317330 385966049 /nfs/dbraw/zinc/96/60/49/385966049.db2.gz KJKVMNNXIHNMKR-NSHDSACASA-N 0 1 237.318 3.209 20 0 BGADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccc(OC)cn1 ZINC000338323333 350678008 /nfs/dbraw/zinc/67/80/08/350678008.db2.gz YEKNRVUTTLKXAW-CQSZACIVSA-N 0 1 248.370 3.245 20 0 BGADMN CC(C)CCN1CCOc2cccc(F)c2C1 ZINC000338326125 385959439 /nfs/dbraw/zinc/95/94/39/385959439.db2.gz KMGSQGHJWGMUHY-UHFFFAOYSA-N 0 1 237.318 3.066 20 0 BGADMN Cc1cnc(CN(C)[C@H](C)C2CCCCC2)nc1 ZINC000338338124 385969369 /nfs/dbraw/zinc/96/93/69/385969369.db2.gz ALOVAYMWRCZSLF-CYBMUJFWSA-N 0 1 247.386 3.186 20 0 BGADMN Cc1cnc(CN(C)[C@@H](C)C2CCCCC2)nc1 ZINC000338338125 385970882 /nfs/dbraw/zinc/97/08/82/385970882.db2.gz ALOVAYMWRCZSLF-ZDUSSCGKSA-N 0 1 247.386 3.186 20 0 BGADMN CCn1ccnc1CN(C)[C@H](C)C1CCCCC1 ZINC000338340506 172220904 /nfs/dbraw/zinc/22/09/04/172220904.db2.gz JAIYHWUQYBUTDJ-CYBMUJFWSA-N 0 1 249.402 3.304 20 0 BGADMN CCn1ccnc1CN(C)[C@@H](C)C1CCCCC1 ZINC000338340508 172221202 /nfs/dbraw/zinc/22/12/02/172221202.db2.gz JAIYHWUQYBUTDJ-ZDUSSCGKSA-N 0 1 249.402 3.304 20 0 BGADMN C[C@H](C1CCCCC1)N(C)Cc1ccon1 ZINC000338342038 385974482 /nfs/dbraw/zinc/97/44/82/385974482.db2.gz DYMJZRKWRPVZCT-LLVKDONJSA-N 0 1 222.332 3.075 20 0 BGADMN C[C@@H](C1CCCCC1)N(C)Cc1ccon1 ZINC000338342040 385973358 /nfs/dbraw/zinc/97/33/58/385973358.db2.gz DYMJZRKWRPVZCT-NSHDSACASA-N 0 1 222.332 3.075 20 0 BGADMN Cc1cc(CN(C)[C@H](C)C2CCCCC2)no1 ZINC000338349571 385975035 /nfs/dbraw/zinc/97/50/35/385975035.db2.gz OFQAYBVJUDWNPX-GFCCVEGCSA-N 0 1 236.359 3.384 20 0 BGADMN Cc1cc(CN(C)[C@@H](C)C2CCCCC2)no1 ZINC000338349573 385974418 /nfs/dbraw/zinc/97/44/18/385974418.db2.gz OFQAYBVJUDWNPX-LBPRGKRZSA-N 0 1 236.359 3.384 20 0 BGADMN Cc1ccnc(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000338355555 385978265 /nfs/dbraw/zinc/97/82/65/385978265.db2.gz GPHKWJZFUHNNMI-CYBMUJFWSA-N 0 1 247.386 3.186 20 0 BGADMN Cc1ccnc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000338355556 188016714 /nfs/dbraw/zinc/01/67/14/188016714.db2.gz GPHKWJZFUHNNMI-ZDUSSCGKSA-N 0 1 247.386 3.186 20 0 BGADMN Cc1cnc(CN(C)[C@H](C)C2CCCCC2)o1 ZINC000338361482 385971640 /nfs/dbraw/zinc/97/16/40/385971640.db2.gz UAAQETWFSIANPV-GFCCVEGCSA-N 0 1 236.359 3.384 20 0 BGADMN Cc1cnc(C[N@H+](C)[C@H](C)C2CCCCC2)o1 ZINC000338361482 385971633 /nfs/dbraw/zinc/97/16/33/385971633.db2.gz UAAQETWFSIANPV-GFCCVEGCSA-N 0 1 236.359 3.384 20 0 BGADMN Cc1cnc(CN(C)[C@@H](C)C2CCCCC2)o1 ZINC000338361483 385969529 /nfs/dbraw/zinc/96/95/29/385969529.db2.gz UAAQETWFSIANPV-LBPRGKRZSA-N 0 1 236.359 3.384 20 0 BGADMN Cc1cnc(C[N@H+](C)[C@@H](C)C2CCCCC2)o1 ZINC000338361483 385969521 /nfs/dbraw/zinc/96/95/21/385969521.db2.gz UAAQETWFSIANPV-LBPRGKRZSA-N 0 1 236.359 3.384 20 0 BGADMN CCN(CC1CCC1)[C@H](C)c1nnc(C)s1 ZINC000338368011 169813961 /nfs/dbraw/zinc/81/39/61/169813961.db2.gz ZMHLIPZLWVRDCT-SECBINFHSA-N 0 1 239.388 3.030 20 0 BGADMN CCN(CC1CCC1)[C@@H](C)c1nnc(C)s1 ZINC000338368012 385980057 /nfs/dbraw/zinc/98/00/57/385980057.db2.gz ZMHLIPZLWVRDCT-VIFPVBQESA-N 0 1 239.388 3.030 20 0 BGADMN CCN(Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000338387565 350681321 /nfs/dbraw/zinc/68/13/21/350681321.db2.gz XQWQEIGQZJTGJK-UHFFFAOYSA-N 0 1 242.322 3.326 20 0 BGADMN Cc1ccc2c(c1)CN(CCSC(C)C)C2 ZINC000338389928 188188316 /nfs/dbraw/zinc/18/83/16/188188316.db2.gz SPYGQMSZLUUNQM-UHFFFAOYSA-N 0 1 235.396 3.452 20 0 BGADMN C[C@@H]1CCC[C@H](CCSc2cn[nH]n2)C1 ZINC000338405142 176137308 /nfs/dbraw/zinc/13/73/08/176137308.db2.gz BWLQFOWXDLPTCB-NXEZZACHSA-N 0 1 225.361 3.113 20 0 BGADMN C[C@H]1CCC[C@@H](CCSc2cn[nH]n2)C1 ZINC000338405144 177119089 /nfs/dbraw/zinc/11/90/89/177119089.db2.gz BWLQFOWXDLPTCB-UWVGGRQHSA-N 0 1 225.361 3.113 20 0 BGADMN C[C@H]1CCC[C@H](CCSc2cn[nH]n2)C1 ZINC000338405145 177133482 /nfs/dbraw/zinc/13/34/82/177133482.db2.gz BWLQFOWXDLPTCB-VHSXEESVSA-N 0 1 225.361 3.113 20 0 BGADMN C[C@@H]1CCC[C@@H](CCSc2cn[nH]n2)C1 ZINC000338405147 176117713 /nfs/dbraw/zinc/11/77/13/176117713.db2.gz BWLQFOWXDLPTCB-ZJUUUORDSA-N 0 1 225.361 3.113 20 0 BGADMN Cc1ccnc(NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000338484464 386017370 /nfs/dbraw/zinc/01/73/70/386017370.db2.gz LTTSEPHFLMGKJG-BTTYYORXSA-N 0 1 248.370 3.396 20 0 BGADMN Cc1ccnc(NCCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000338484465 386017165 /nfs/dbraw/zinc/01/71/65/386017165.db2.gz LTTSEPHFLMGKJG-CHWSQXEVSA-N 0 1 248.370 3.396 20 0 BGADMN Cc1ccnc(NCCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000338484466 386016743 /nfs/dbraw/zinc/01/67/43/386016743.db2.gz LTTSEPHFLMGKJG-STQMWFEESA-N 0 1 248.370 3.396 20 0 BGADMN Cc1cccc(NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000338485393 386019240 /nfs/dbraw/zinc/01/92/40/386019240.db2.gz SFPYNXGZQFIGJP-BTTYYORXSA-N 0 1 248.370 3.396 20 0 BGADMN Cc1cccc(NCCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000338485394 179144234 /nfs/dbraw/zinc/14/42/34/179144234.db2.gz SFPYNXGZQFIGJP-CHWSQXEVSA-N 0 1 248.370 3.396 20 0 BGADMN Cc1cccc(NCCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000338485395 179143580 /nfs/dbraw/zinc/14/35/80/179143580.db2.gz SFPYNXGZQFIGJP-STQMWFEESA-N 0 1 248.370 3.396 20 0 BGADMN CO[C@@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000338548668 386042528 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ZINC000339567944 176292574 /nfs/dbraw/zinc/29/25/74/176292574.db2.gz IHYCZVYRCSPBEB-GHMZBOCLSA-N 0 1 239.359 3.258 20 0 BGADMN C[C@@H]1CN(CCSc2ccccc2F)[C@H]1C ZINC000339567946 386466481 /nfs/dbraw/zinc/46/64/81/386466481.db2.gz IHYCZVYRCSPBEB-MNOVXSKESA-N 0 1 239.359 3.258 20 0 BGADMN C[C@H]1CN(CCSc2ccccc2F)[C@H]1C ZINC000339567949 177254664 /nfs/dbraw/zinc/25/46/64/177254664.db2.gz IHYCZVYRCSPBEB-QWRGUYRKSA-N 0 1 239.359 3.258 20 0 BGADMN C[C@@H]1[C@@H](C)CN1CCSc1ccccc1F ZINC000339567950 177253732 /nfs/dbraw/zinc/25/37/32/177253732.db2.gz IHYCZVYRCSPBEB-WDEREUQCSA-N 0 1 239.359 3.258 20 0 BGADMN C[C@@H]1CN(Cc2cccc(C(F)F)c2)[C@@H]1C ZINC000339569178 176305244 /nfs/dbraw/zinc/30/52/44/176305244.db2.gz QNCZXIXAVOMDKV-NXEZZACHSA-N 0 1 225.282 3.464 20 0 BGADMN C[C@H]1CN(Cc2cccc(C(F)F)c2)[C@H]1C ZINC000339569179 177264324 /nfs/dbraw/zinc/26/43/24/177264324.db2.gz QNCZXIXAVOMDKV-UWVGGRQHSA-N 0 1 225.282 3.464 20 0 BGADMN C[C@@H]1[C@@H](C)CN1Cc1cccc(C(F)F)c1 ZINC000339569180 177265344 /nfs/dbraw/zinc/26/53/44/177265344.db2.gz QNCZXIXAVOMDKV-VHSXEESVSA-N 0 1 225.282 3.464 20 0 BGADMN C[C@@H]1CN(Cc2cccc(C(F)F)c2)[C@H]1C ZINC000339569181 386466950 /nfs/dbraw/zinc/46/69/50/386466950.db2.gz QNCZXIXAVOMDKV-ZJUUUORDSA-N 0 1 225.282 3.464 20 0 BGADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@H]1C ZINC000339569230 176014557 /nfs/dbraw/zinc/01/45/57/176014557.db2.gz SIUSYHJFANAVFN-BBBLOLIVSA-N 0 1 225.282 3.366 20 0 BGADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@@H]1C ZINC000339569231 177432046 /nfs/dbraw/zinc/43/20/46/177432046.db2.gz SIUSYHJFANAVFN-KXUCPTDWSA-N 0 1 225.282 3.366 20 0 BGADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@H]1C ZINC000339569232 176317204 /nfs/dbraw/zinc/31/72/04/176317204.db2.gz SIUSYHJFANAVFN-OPRDCNLKSA-N 0 1 225.282 3.366 20 0 BGADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@@H]1C ZINC000339569233 176014268 /nfs/dbraw/zinc/01/42/68/176014268.db2.gz SIUSYHJFANAVFN-UTLUCORTSA-N 0 1 225.282 3.366 20 0 BGADMN C[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H]1C ZINC000339571180 176305701 /nfs/dbraw/zinc/30/57/01/176305701.db2.gz CFBFUMDZCUDISR-NXEZZACHSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@H]1CN(Cc2cccc(Cl)c2)[C@H]1C ZINC000339571181 177265464 /nfs/dbraw/zinc/26/54/64/177265464.db2.gz CFBFUMDZCUDISR-UWVGGRQHSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1[C@@H](C)CN1Cc1cccc(Cl)c1 ZINC000339571182 177265031 /nfs/dbraw/zinc/26/50/31/177265031.db2.gz CFBFUMDZCUDISR-VHSXEESVSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1CN(Cc2cccc(Cl)c2)[C@H]1C ZINC000339571183 386470097 /nfs/dbraw/zinc/47/00/97/386470097.db2.gz CFBFUMDZCUDISR-ZJUUUORDSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1CN(Cc2ccccc2Cl)[C@@H]1C ZINC000339571832 176306828 /nfs/dbraw/zinc/30/68/28/176306828.db2.gz OJZGHWGJYXNLDU-NXEZZACHSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@H]1CN(Cc2ccccc2Cl)[C@H]1C ZINC000339571833 177266687 /nfs/dbraw/zinc/26/66/87/177266687.db2.gz OJZGHWGJYXNLDU-UWVGGRQHSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1[C@@H](C)CN1Cc1ccccc1Cl ZINC000339571834 177266559 /nfs/dbraw/zinc/26/65/59/177266559.db2.gz OJZGHWGJYXNLDU-VHSXEESVSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1CN(Cc2ccccc2Cl)[C@H]1C ZINC000339571835 386470436 /nfs/dbraw/zinc/47/04/36/386470436.db2.gz OJZGHWGJYXNLDU-ZJUUUORDSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@H]1C ZINC000339571873 176303396 /nfs/dbraw/zinc/30/33/96/176303396.db2.gz QQUXMRYRDNRJNH-NXEZZACHSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000339571874 177262315 /nfs/dbraw/zinc/26/23/15/177262315.db2.gz QQUXMRYRDNRJNH-UWVGGRQHSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(Cl)cc1 ZINC000339571875 177261708 /nfs/dbraw/zinc/26/17/08/177261708.db2.gz QQUXMRYRDNRJNH-VHSXEESVSA-N 0 1 209.720 3.180 20 0 BGADMN C[C@@H]1CN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000339571876 386471058 /nfs/dbraw/zinc/47/10/58/386471058.db2.gz QQUXMRYRDNRJNH-ZJUUUORDSA-N 0 1 209.720 3.180 20 0 BGADMN COc1ccc(CN2C[C@@H](C)[C@H]2C)cc1Cl ZINC000339575533 188192400 /nfs/dbraw/zinc/19/24/00/188192400.db2.gz GXPFBUAJIDONIV-NXEZZACHSA-N 0 1 239.746 3.189 20 0 BGADMN COc1ccc(CN2C[C@H](C)[C@@H]2C)cc1Cl ZINC000339575535 187329909 /nfs/dbraw/zinc/32/99/09/187329909.db2.gz GXPFBUAJIDONIV-UWVGGRQHSA-N 0 1 239.746 3.189 20 0 BGADMN COc1ccc(CN2C[C@H](C)[C@H]2C)cc1Cl ZINC000339575537 188019932 /nfs/dbraw/zinc/01/99/32/188019932.db2.gz GXPFBUAJIDONIV-VHSXEESVSA-N 0 1 239.746 3.189 20 0 BGADMN COc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1Cl ZINC000339575538 386472501 /nfs/dbraw/zinc/47/25/01/386472501.db2.gz GXPFBUAJIDONIV-ZJUUUORDSA-N 0 1 239.746 3.189 20 0 BGADMN C[C@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@H]1C ZINC000339576313 176318385 /nfs/dbraw/zinc/31/83/85/176318385.db2.gz MWNMREUPKKBFBV-GMTAPVOTSA-N 0 1 230.311 3.229 20 0 BGADMN C[C@@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@H]1C ZINC000339576314 176039442 /nfs/dbraw/zinc/03/94/42/176039442.db2.gz MWNMREUPKKBFBV-MXWKQRLJSA-N 0 1 230.311 3.229 20 0 BGADMN C[C@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@@H]1C ZINC000339576315 386473656 /nfs/dbraw/zinc/47/36/56/386473656.db2.gz MWNMREUPKKBFBV-OUAUKWLOSA-N 0 1 230.311 3.229 20 0 BGADMN C[C@@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@@H]1C ZINC000339576316 176039256 /nfs/dbraw/zinc/03/92/56/176039256.db2.gz MWNMREUPKKBFBV-VWYCJHECSA-N 0 1 230.311 3.229 20 0 BGADMN C[C@@H]1CN(Cc2cccc(OC(C)(C)C)n2)[C@H]1C ZINC000339577903 386471771 /nfs/dbraw/zinc/47/17/71/386471771.db2.gz JDZBKLRFHLDQBR-NEPJUHHUSA-N 0 1 248.370 3.099 20 0 BGADMN C[C@@H]1[C@@H](C)CN1Cc1cccc(OC(C)(C)C)n1 ZINC000339577904 177265167 /nfs/dbraw/zinc/26/51/67/177265167.db2.gz JDZBKLRFHLDQBR-NWDGAFQWSA-N 0 1 248.370 3.099 20 0 BGADMN C[C@H]1CN(Cc2cccc(OC(C)(C)C)n2)[C@H]1C ZINC000339577905 177264993 /nfs/dbraw/zinc/26/49/93/177264993.db2.gz JDZBKLRFHLDQBR-RYUDHWBXSA-N 0 1 248.370 3.099 20 0 BGADMN C[C@@H]1CN(Cc2cccc(OC(C)(C)C)n2)[C@@H]1C ZINC000339577906 176306524 /nfs/dbraw/zinc/30/65/24/176306524.db2.gz JDZBKLRFHLDQBR-VXGBXAGGSA-N 0 1 248.370 3.099 20 0 BGADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccccc1F ZINC000339582525 388485982 /nfs/dbraw/zinc/48/59/82/388485982.db2.gz GANRTBUYBITOBV-BIMULSAOSA-N 0 1 225.282 3.367 20 0 BGADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1F ZINC000339582526 388485951 /nfs/dbraw/zinc/48/59/51/388485951.db2.gz GANRTBUYBITOBV-TVYUQYBPSA-N 0 1 225.282 3.367 20 0 BGADMN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccccc1F ZINC000339582527 582485485 /nfs/dbraw/zinc/48/54/85/582485485.db2.gz GANRTBUYBITOBV-XDTLVQLUSA-N 0 1 225.282 3.367 20 0 BGADMN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccccc1F ZINC000339582528 582485393 /nfs/dbraw/zinc/48/53/93/582485393.db2.gz GANRTBUYBITOBV-ZWKOPEQDSA-N 0 1 225.282 3.367 20 0 BGADMN F[C@@H]1CCC[C@H]1NCc1cc2ccccc2o1 ZINC000339583305 487471264 /nfs/dbraw/zinc/47/12/64/487471264.db2.gz IOWZEHWMSPZVSR-CHWSQXEVSA-N 0 1 233.286 3.413 20 0 BGADMN F[C@@H]1CCC[C@@H]1NCc1cc2ccccc2o1 ZINC000339583306 487471220 /nfs/dbraw/zinc/47/12/20/487471220.db2.gz IOWZEHWMSPZVSR-OLZOCXBDSA-N 0 1 233.286 3.413 20 0 BGADMN F[C@H]1CCC[C@H]1NCc1cc2ccccc2o1 ZINC000339583307 487471376 /nfs/dbraw/zinc/47/13/76/487471376.db2.gz IOWZEHWMSPZVSR-QWHCGFSZSA-N 0 1 233.286 3.413 20 0 BGADMN F[C@H]1CCC[C@@H]1NCc1cc2ccccc2o1 ZINC000339583308 487471365 /nfs/dbraw/zinc/47/13/65/487471365.db2.gz IOWZEHWMSPZVSR-STQMWFEESA-N 0 1 233.286 3.413 20 0 BGADMN Fc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1Cl ZINC000339583322 388486846 /nfs/dbraw/zinc/48/68/46/388486846.db2.gz IWCDJHIUCPTFNU-CMPLNLGQSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(CN[C@H]2CCC[C@@H]2F)ccc1Cl ZINC000339583323 487471237 /nfs/dbraw/zinc/47/12/37/487471237.db2.gz IWCDJHIUCPTFNU-JQWIXIFHSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(CN[C@H]2CCC[C@H]2F)ccc1Cl ZINC000339583821 385020721 /nfs/dbraw/zinc/02/07/21/385020721.db2.gz IWCDJHIUCPTFNU-PWSUYJOCSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(CN[C@@H]2CCC[C@H]2F)ccc1Cl ZINC000339583822 487471322 /nfs/dbraw/zinc/47/13/22/487471322.db2.gz IWCDJHIUCPTFNU-ZYHUDNBSSA-N 0 1 245.700 3.459 20 0 BGADMN Cc1ccc(F)c(CN[C@@H]2CCC[C@H]2F)c1 ZINC000339583918 386489824 /nfs/dbraw/zinc/48/98/24/386489824.db2.gz KPRKFERHKVANQL-CHWSQXEVSA-N 0 1 225.282 3.114 20 0 BGADMN Cc1ccc(F)c(CN[C@H]2CCC[C@H]2F)c1 ZINC000339583919 385021977 /nfs/dbraw/zinc/02/19/77/385021977.db2.gz KPRKFERHKVANQL-OLZOCXBDSA-N 0 1 225.282 3.114 20 0 BGADMN Cc1ccc(F)c(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000339583920 385021289 /nfs/dbraw/zinc/02/12/89/385021289.db2.gz KPRKFERHKVANQL-QWHCGFSZSA-N 0 1 225.282 3.114 20 0 BGADMN Cc1ccc(F)c(CN[C@H]2CCC[C@@H]2F)c1 ZINC000339584308 386487663 /nfs/dbraw/zinc/48/76/63/386487663.db2.gz KPRKFERHKVANQL-STQMWFEESA-N 0 1 225.282 3.114 20 0 BGADMN F[C@H]1CCC[C@H]1NCc1scnc1C1CC1 ZINC000339584815 384862873 /nfs/dbraw/zinc/86/28/73/384862873.db2.gz QCFQMVYZUDPQAJ-VHSXEESVSA-N 0 1 240.347 3.001 20 0 BGADMN F[C@@H]1CCC[C@@H]1NCc1scnc1C1CC1 ZINC000339584816 384861643 /nfs/dbraw/zinc/86/16/43/384861643.db2.gz QCFQMVYZUDPQAJ-ZJUUUORDSA-N 0 1 240.347 3.001 20 0 BGADMN Fc1ccc(CN[C@H]2CCC[C@H]2F)cc1Cl ZINC000339585255 385020871 /nfs/dbraw/zinc/02/08/71/385020871.db2.gz UPTMFYWQGYZHRO-NEPJUHHUSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1Cl ZINC000339585256 385020092 /nfs/dbraw/zinc/02/00/92/385020092.db2.gz UPTMFYWQGYZHRO-NWDGAFQWSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1ccc(CN[C@H]2CCC[C@@H]2F)cc1Cl ZINC000339585257 386487479 /nfs/dbraw/zinc/48/74/79/386487479.db2.gz UPTMFYWQGYZHRO-RYUDHWBXSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1ccc(CN[C@@H]2CCC[C@H]2F)cc1Cl ZINC000339585258 386489180 /nfs/dbraw/zinc/48/91/80/386489180.db2.gz UPTMFYWQGYZHRO-VXGBXAGGSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(CN[C@@H]2CCC[C@@H]2F)cc(F)c1F ZINC000339585534 386487648 /nfs/dbraw/zinc/48/76/48/386487648.db2.gz XLBSTGWWYIVYAH-GZMMTYOYSA-N 0 1 247.235 3.084 20 0 BGADMN Fc1cc(CN[C@H]2CCC[C@H]2F)cc(F)c1F ZINC000339585535 386489647 /nfs/dbraw/zinc/48/96/47/386489647.db2.gz XLBSTGWWYIVYAH-KCJUWKMLSA-N 0 1 247.235 3.084 20 0 BGADMN Fc1cc(CN[C@H]2CCC[C@@H]2F)cc(F)c1F ZINC000339585536 386488903 /nfs/dbraw/zinc/48/89/03/386488903.db2.gz XLBSTGWWYIVYAH-KWQFWETISA-N 0 1 247.235 3.084 20 0 BGADMN Fc1cc(CN[C@@H]2CCC[C@H]2F)cc(F)c1F ZINC000339585537 386490042 /nfs/dbraw/zinc/49/00/42/386490042.db2.gz XLBSTGWWYIVYAH-LDYMZIIASA-N 0 1 247.235 3.084 20 0 BGADMN Fc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1F ZINC000339586049 388486585 /nfs/dbraw/zinc/48/65/85/388486585.db2.gz FJUXGXGDNDLHAT-CMPLNLGQSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(Cl)ccc1CN[C@H]1CCC[C@@H]1F ZINC000339586050 386489694 /nfs/dbraw/zinc/48/96/94/386489694.db2.gz FJUXGXGDNDLHAT-JQWIXIFHSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(Cl)ccc1CN[C@H]1CCC[C@H]1F ZINC000339586052 388486318 /nfs/dbraw/zinc/48/63/18/388486318.db2.gz FJUXGXGDNDLHAT-PWSUYJOCSA-N 0 1 245.700 3.459 20 0 BGADMN Fc1cc(Cl)ccc1CN[C@@H]1CCC[C@H]1F ZINC000339586053 386487030 /nfs/dbraw/zinc/48/70/30/386487030.db2.gz FJUXGXGDNDLHAT-ZYHUDNBSSA-N 0 1 245.700 3.459 20 0 BGADMN CC(C)c1ncc(CN[C@@H]2CCC[C@H]2F)s1 ZINC000339586307 188368606 /nfs/dbraw/zinc/36/86/06/188368606.db2.gz HLABCWYIJCBMAJ-GHMZBOCLSA-N 0 1 242.363 3.247 20 0 BGADMN CC(C)c1ncc(CN[C@H]2CCC[C@H]2F)s1 ZINC000339586308 388486385 /nfs/dbraw/zinc/48/63/85/388486385.db2.gz HLABCWYIJCBMAJ-MNOVXSKESA-N 0 1 242.363 3.247 20 0 BGADMN CC(C)c1ncc(CN[C@H]2CCC[C@@H]2F)s1 ZINC000339586309 188019113 /nfs/dbraw/zinc/01/91/13/188019113.db2.gz HLABCWYIJCBMAJ-QWRGUYRKSA-N 0 1 242.363 3.247 20 0 BGADMN CC(C)c1ncc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000339586310 188084038 /nfs/dbraw/zinc/08/40/38/188084038.db2.gz HLABCWYIJCBMAJ-WDEREUQCSA-N 0 1 242.363 3.247 20 0 BGADMN F[C@H]1CCC[C@@H]1NCc1sccc1Cl ZINC000339586865 386480279 /nfs/dbraw/zinc/48/02/79/386480279.db2.gz MOZPEECFZCCUIJ-IUCAKERBSA-N 0 1 233.739 3.382 20 0 BGADMN F[C@@H]1CCC[C@H]1NCc1sccc1Cl ZINC000339586866 386480096 /nfs/dbraw/zinc/48/00/96/386480096.db2.gz MOZPEECFZCCUIJ-RKDXNWHRSA-N 0 1 233.739 3.382 20 0 BGADMN F[C@H]1CCC[C@@H]1NCc1ccc(Cl)s1 ZINC000339587246 386480018 /nfs/dbraw/zinc/48/00/18/386480018.db2.gz OFEXPZQFLQXOPL-IUCAKERBSA-N 0 1 233.739 3.382 20 0 BGADMN F[C@@H]1CCC[C@H]1NCc1ccc(Cl)s1 ZINC000339587247 386480442 /nfs/dbraw/zinc/48/04/42/386480442.db2.gz OFEXPZQFLQXOPL-RKDXNWHRSA-N 0 1 233.739 3.382 20 0 BGADMN CCOc1ccccc1CN[C@@H]1CCC[C@H]1F ZINC000339587248 386480832 /nfs/dbraw/zinc/48/08/32/386480832.db2.gz OGDLXBHBDHQCGI-CHWSQXEVSA-N 0 1 237.318 3.066 20 0 BGADMN CCOc1ccccc1CN[C@H]1CCC[C@H]1F ZINC000339587249 386480800 /nfs/dbraw/zinc/48/08/00/386480800.db2.gz OGDLXBHBDHQCGI-OLZOCXBDSA-N 0 1 237.318 3.066 20 0 BGADMN CCOc1ccccc1CN[C@@H]1CCC[C@@H]1F ZINC000339587250 386480199 /nfs/dbraw/zinc/48/01/99/386480199.db2.gz OGDLXBHBDHQCGI-QWHCGFSZSA-N 0 1 237.318 3.066 20 0 BGADMN CCOc1ccccc1CN[C@H]1CCC[C@@H]1F ZINC000339587251 386480450 /nfs/dbraw/zinc/48/04/50/386480450.db2.gz OGDLXBHBDHQCGI-STQMWFEESA-N 0 1 237.318 3.066 20 0 BGADMN Fc1cc(Cl)cc(CN[C@H]2CCC[C@H]2F)c1 ZINC000339587299 388486755 /nfs/dbraw/zinc/48/67/55/388486755.db2.gz PYLNBDKVWIYJCU-NEPJUHHUSA-N 0 1 245.700 3.459 20 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/nfs/dbraw/zinc/77/80/72/385778072.db2.gz ABXVXVSTZYGUBX-MNOVXSKESA-N 0 1 246.310 3.100 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H](C)c2cc[nH]c(=O)c2)o1 ZINC000340446665 188212800 /nfs/dbraw/zinc/21/28/00/188212800.db2.gz ABXVXVSTZYGUBX-QWRGUYRKSA-N 0 1 246.310 3.100 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc[nH]c(=O)c2)o1 ZINC000340446666 385778515 /nfs/dbraw/zinc/77/85/15/385778515.db2.gz ABXVXVSTZYGUBX-WDEREUQCSA-N 0 1 246.310 3.100 20 0 BGADMN Cc1cc([C@H](C)NC2CC(C(C)(C)C)C2)no1 ZINC000340452590 178245346 /nfs/dbraw/zinc/24/53/46/178245346.db2.gz XIXRDQMDLHPEEG-UNXYVOJBSA-N 0 1 236.359 3.458 20 0 BGADMN Cc1cc([C@@H](C)NC2CC(C(C)(C)C)C2)no1 ZINC000340452591 178222443 /nfs/dbraw/zinc/22/24/43/178222443.db2.gz XIXRDQMDLHPEEG-VOMCLLRMSA-N 0 1 236.359 3.458 20 0 BGADMN CCC1CC(NCc2c(F)cc(F)cc2F)C1 ZINC000340484570 385912170 /nfs/dbraw/zinc/91/21/70/385912170.db2.gz BNUZKCCHXYETSA-UHFFFAOYSA-N 0 1 243.272 3.382 20 0 BGADMN CC1(C)CC[C@H]1NCc1c(F)cc(F)cc1F ZINC000340486200 188571064 /nfs/dbraw/zinc/57/10/64/188571064.db2.gz JKAFWFWNKBDCCB-GFCCVEGCSA-N 0 1 243.272 3.382 20 0 BGADMN CC1(C)CC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000340486201 352388536 /nfs/dbraw/zinc/38/85/36/352388536.db2.gz JKAFWFWNKBDCCB-LBPRGKRZSA-N 0 1 243.272 3.382 20 0 BGADMN CC1(C)CC(NCc2c(F)cc(F)cc2F)C1 ZINC000340493557 385974571 /nfs/dbraw/zinc/97/45/71/385974571.db2.gz YBUYGCKSKBWJKE-UHFFFAOYSA-N 0 1 243.272 3.382 20 0 BGADMN Cc1cc([C@H](C)N[C@H]2CCC[C@H]2F)c(C)o1 ZINC000340521408 178257723 /nfs/dbraw/zinc/25/77/23/178257723.db2.gz DSWYYTNFQGATCS-BIMULSAOSA-N 0 1 225.307 3.438 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2F)c(C)o1 ZINC000340521409 178253801 /nfs/dbraw/zinc/25/38/01/178253801.db2.gz DSWYYTNFQGATCS-TVYUQYBPSA-N 0 1 225.307 3.438 20 0 BGADMN Cc1cc([C@H](C)N[C@H]2CCC[C@@H]2F)c(C)o1 ZINC000340521410 178258823 /nfs/dbraw/zinc/25/88/23/178258823.db2.gz DSWYYTNFQGATCS-XDTLVQLUSA-N 0 1 225.307 3.438 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@H]2F)c(C)o1 ZINC000340521411 178253449 /nfs/dbraw/zinc/25/34/49/178253449.db2.gz DSWYYTNFQGATCS-ZWKOPEQDSA-N 0 1 225.307 3.438 20 0 BGADMN COc1ccccc1[C@H](C)N[C@@H]1CCC[C@H]1F ZINC000340521586 175351862 /nfs/dbraw/zinc/35/18/62/175351862.db2.gz ACCHHOLQPRJDBQ-CYZMBNFOSA-N 0 1 237.318 3.236 20 0 BGADMN COc1ccccc1[C@H](C)N[C@H]1CCC[C@@H]1F ZINC000340521587 175352427 /nfs/dbraw/zinc/35/24/27/175352427.db2.gz ACCHHOLQPRJDBQ-DRZSPHRISA-N 0 1 237.318 3.236 20 0 BGADMN COc1ccccc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000340521588 175352324 /nfs/dbraw/zinc/35/23/24/175352324.db2.gz ACCHHOLQPRJDBQ-UHTWSYAYSA-N 0 1 237.318 3.236 20 0 BGADMN COc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000340521589 175352031 /nfs/dbraw/zinc/35/20/31/175352031.db2.gz ACCHHOLQPRJDBQ-WCFLWFBJSA-N 0 1 237.318 3.236 20 0 BGADMN Cc1cc([C@H](C)N[C@H]2CCC[C@@H]2F)oc1C ZINC000340521981 178257659 /nfs/dbraw/zinc/25/76/59/178257659.db2.gz HVTUZXXPOMBSCX-DLOVCJGASA-N 0 1 225.307 3.438 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@H]2F)oc1C ZINC000340521982 178253713 /nfs/dbraw/zinc/25/37/13/178253713.db2.gz HVTUZXXPOMBSCX-MVWJERBFSA-N 0 1 225.307 3.438 20 0 BGADMN Cc1cc([C@H](C)N[C@H]2CCC[C@H]2F)oc1C ZINC000340521983 178258189 /nfs/dbraw/zinc/25/81/89/178258189.db2.gz HVTUZXXPOMBSCX-WCQGTBRESA-N 0 1 225.307 3.438 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2F)oc1C ZINC000340522341 178253320 /nfs/dbraw/zinc/25/33/20/178253320.db2.gz HVTUZXXPOMBSCX-ZMLRMANQSA-N 0 1 225.307 3.438 20 0 BGADMN F[C@@H]1CCC[C@H]1N[C@H]1CCCOc2ccccc21 ZINC000340524088 180941382 /nfs/dbraw/zinc/94/13/82/180941382.db2.gz BTDDCOMFIYRMSH-HZSPNIEDSA-N 0 1 249.329 3.381 20 0 BGADMN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCOc2ccccc21 ZINC000340524091 398136925 /nfs/dbraw/zinc/13/69/25/398136925.db2.gz BTDDCOMFIYRMSH-MCIONIFRSA-N 0 1 249.329 3.381 20 0 BGADMN F[C@@H]1CCC[C@H]1N[C@@H]1CCCOc2ccccc21 ZINC000340524096 398136857 /nfs/dbraw/zinc/13/68/57/398136857.db2.gz BTDDCOMFIYRMSH-MGPQQGTHSA-N 0 1 249.329 3.381 20 0 BGADMN F[C@@H]1CCC[C@@H]1N[C@H]1CCCOc2ccccc21 ZINC000340524099 398136730 /nfs/dbraw/zinc/13/67/30/398136730.db2.gz BTDDCOMFIYRMSH-RDBSUJKOSA-N 0 1 249.329 3.381 20 0 BGADMN CC[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(F)cn1 ZINC000340524402 386120900 /nfs/dbraw/zinc/12/09/00/386120900.db2.gz RFSIOWLYBNIMBB-GRYCIOLGSA-N 0 1 240.297 3.152 20 0 BGADMN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cn1 ZINC000340524403 386120548 /nfs/dbraw/zinc/12/05/48/386120548.db2.gz RFSIOWLYBNIMBB-SDDRHHMPSA-N 0 1 240.297 3.152 20 0 BGADMN CC[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(F)cn1 ZINC000340524404 386121722 /nfs/dbraw/zinc/12/17/22/386121722.db2.gz RFSIOWLYBNIMBB-SRVKXCTJSA-N 0 1 240.297 3.152 20 0 BGADMN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cn1 ZINC000340524405 398136776 /nfs/dbraw/zinc/13/67/76/398136776.db2.gz RFSIOWLYBNIMBB-WOPDTQHZSA-N 0 1 240.297 3.152 20 0 BGADMN CCC[C@H](N[C@@H]1CCC[C@H]1F)c1ccccn1 ZINC000340524440 386121371 /nfs/dbraw/zinc/12/13/71/386121371.db2.gz SDKOROUFAXHIIP-BZPMIXESSA-N 0 1 236.334 3.403 20 0 BGADMN CCC[C@H](N[C@H]1CCC[C@H]1F)c1ccccn1 ZINC000340524441 386120693 /nfs/dbraw/zinc/12/06/93/386120693.db2.gz SDKOROUFAXHIIP-DYEKYZERSA-N 0 1 236.334 3.403 20 0 BGADMN CCC[C@H](N[C@H]1CCC[C@@H]1F)c1ccccn1 ZINC000340524442 386120199 /nfs/dbraw/zinc/12/01/99/386120199.db2.gz SDKOROUFAXHIIP-OBJOEFQTSA-N 0 1 236.334 3.403 20 0 BGADMN CCC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccn1 ZINC000340524443 386121406 /nfs/dbraw/zinc/12/14/06/386121406.db2.gz SDKOROUFAXHIIP-SCRDCRAPSA-N 0 1 236.334 3.403 20 0 BGADMN Cc1nc(C)c([C@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000340524989 385084898 /nfs/dbraw/zinc/08/48/98/385084898.db2.gz CVAAUVJQZHEPGX-GDPRMGEGSA-N 0 1 242.363 3.301 20 0 BGADMN Cc1nc(C)c([C@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000340524994 385085201 /nfs/dbraw/zinc/08/52/01/385085201.db2.gz CVAAUVJQZHEPGX-INTQDDNPSA-N 0 1 242.363 3.301 20 0 BGADMN Cc1nc(C)c([C@H](C)N[C@@H]2CCC[C@H]2F)s1 ZINC000340524999 386126259 /nfs/dbraw/zinc/12/62/59/386126259.db2.gz CVAAUVJQZHEPGX-JMJZKYOTSA-N 0 1 242.363 3.301 20 0 BGADMN Cc1nc(C)c([C@H](C)N[C@H]2CCC[C@@H]2F)s1 ZINC000340525003 386126918 /nfs/dbraw/zinc/12/69/18/386126918.db2.gz CVAAUVJQZHEPGX-LSJOCFKGSA-N 0 1 242.363 3.301 20 0 BGADMN Cc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)o1 ZINC000340525319 388491677 /nfs/dbraw/zinc/49/16/77/388491677.db2.gz GMKVSPWVVLWTNP-AXFHLTTASA-N 0 1 211.280 3.129 20 0 BGADMN Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]2F)o1 ZINC000340525320 386126962 /nfs/dbraw/zinc/12/69/62/386126962.db2.gz GMKVSPWVVLWTNP-DCAQKATOSA-N 0 1 211.280 3.129 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)o1 ZINC000340525323 178897170 /nfs/dbraw/zinc/89/71/70/178897170.db2.gz GMKVSPWVVLWTNP-GARJFASQSA-N 0 1 211.280 3.129 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]2F)o1 ZINC000340525325 386127461 /nfs/dbraw/zinc/12/74/61/386127461.db2.gz GMKVSPWVVLWTNP-HBNTYKKESA-N 0 1 211.280 3.129 20 0 BGADMN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(Cl)cn1 ZINC000340525501 386126241 /nfs/dbraw/zinc/12/62/41/386126241.db2.gz MQZZXMYLAVAQHK-MKPLZMMCSA-N 0 1 242.725 3.276 20 0 BGADMN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(Cl)cn1 ZINC000340525508 386125992 /nfs/dbraw/zinc/12/59/92/386125992.db2.gz MQZZXMYLAVAQHK-PEXQALLHSA-N 0 1 242.725 3.276 20 0 BGADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)cn1 ZINC000340525509 385084272 /nfs/dbraw/zinc/08/42/72/385084272.db2.gz MQZZXMYLAVAQHK-PTOFAABTSA-N 0 1 242.725 3.276 20 0 BGADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)cn1 ZINC000340525510 385082837 /nfs/dbraw/zinc/08/28/37/385082837.db2.gz MQZZXMYLAVAQHK-XRNSZHNASA-N 0 1 242.725 3.276 20 0 BGADMN CC(C)n1cc([C@H](C)N[C@@H]2CCC[C@H]2F)cn1 ZINC000340526207 386128606 /nfs/dbraw/zinc/12/86/06/386128606.db2.gz ZYGZHUUPUPKVHI-CYZMBNFOSA-N 0 1 239.338 3.005 20 0 BGADMN CC(C)n1cc([C@H](C)N[C@H]2CCC[C@@H]2F)cn1 ZINC000340526208 386128944 /nfs/dbraw/zinc/12/89/44/386128944.db2.gz ZYGZHUUPUPKVHI-DRZSPHRISA-N 0 1 239.338 3.005 20 0 BGADMN CC(C)n1cc([C@H](C)N[C@H]2CCC[C@H]2F)cn1 ZINC000340526211 386129210 /nfs/dbraw/zinc/12/92/10/386129210.db2.gz ZYGZHUUPUPKVHI-UHTWSYAYSA-N 0 1 239.338 3.005 20 0 BGADMN CC(C)n1cc([C@H](C)N[C@@H]2CCC[C@@H]2F)cn1 ZINC000340526212 386129073 /nfs/dbraw/zinc/12/90/73/386129073.db2.gz ZYGZHUUPUPKVHI-WCFLWFBJSA-N 0 1 239.338 3.005 20 0 BGADMN CCc1cccnc1[C@H](C)N[C@@H]1CCC[C@H]1F ZINC000340529485 352434629 /nfs/dbraw/zinc/43/46/29/352434629.db2.gz KEMKTBIOSRMDRK-CYZMBNFOSA-N 0 1 236.334 3.185 20 0 BGADMN CCc1cccnc1[C@H](C)N[C@H]1CCC[C@@H]1F ZINC000340529490 352434272 /nfs/dbraw/zinc/43/42/72/352434272.db2.gz KEMKTBIOSRMDRK-DRZSPHRISA-N 0 1 236.334 3.185 20 0 BGADMN CCc1cccnc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000340529494 352434449 /nfs/dbraw/zinc/43/44/49/352434449.db2.gz KEMKTBIOSRMDRK-UHTWSYAYSA-N 0 1 236.334 3.185 20 0 BGADMN CCc1cccnc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000340529499 352434465 /nfs/dbraw/zinc/43/44/65/352434465.db2.gz KEMKTBIOSRMDRK-WCFLWFBJSA-N 0 1 236.334 3.185 20 0 BGADMN COc1ccsc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000340530332 175380726 /nfs/dbraw/zinc/38/07/26/175380726.db2.gz MQLIFCLSXXPAJQ-AEJSXWLSSA-N 0 1 243.347 3.298 20 0 BGADMN COc1ccsc1[C@H](C)N[C@H]1CCC[C@@H]1F ZINC000340530335 175380685 /nfs/dbraw/zinc/38/06/85/175380685.db2.gz MQLIFCLSXXPAJQ-GUBZILKMSA-N 0 1 243.347 3.298 20 0 BGADMN COc1ccsc1[C@H](C)N[C@@H]1CCC[C@H]1F ZINC000340530336 175380375 /nfs/dbraw/zinc/38/03/75/175380375.db2.gz MQLIFCLSXXPAJQ-IVZWLZJFSA-N 0 1 243.347 3.298 20 0 BGADMN COc1ccsc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000340530338 175380764 /nfs/dbraw/zinc/38/07/64/175380764.db2.gz MQLIFCLSXXPAJQ-LPEHRKFASA-N 0 1 243.347 3.298 20 0 BGADMN F[C@@H]1CCC[C@H]1N[C@H]1CCCc2occc21 ZINC000340531648 386152392 /nfs/dbraw/zinc/15/23/92/386152392.db2.gz PMEIIAGKEVHKPR-GRYCIOLGSA-N 0 1 223.291 3.137 20 0 BGADMN F[C@@H]1CCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000340531654 180941794 /nfs/dbraw/zinc/94/17/94/180941794.db2.gz PMEIIAGKEVHKPR-IJLUTSLNSA-N 0 1 223.291 3.137 20 0 BGADMN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000340531667 385088523 /nfs/dbraw/zinc/08/85/23/385088523.db2.gz PMEIIAGKEVHKPR-UTUOFQBUSA-N 0 1 223.291 3.137 20 0 BGADMN F[C@@H]1CCC[C@@H]1N[C@H]1CCCc2occc21 ZINC000340531669 385087496 /nfs/dbraw/zinc/08/74/96/385087496.db2.gz PMEIIAGKEVHKPR-WOPDTQHZSA-N 0 1 223.291 3.137 20 0 BGADMN CCc1ccc([C@H](C)N[C@H]2CCC[C@@H]2F)o1 ZINC000340532775 386147640 /nfs/dbraw/zinc/14/76/40/386147640.db2.gz TWZKXIXLUWYDOK-DLOVCJGASA-N 0 1 225.307 3.383 20 0 BGADMN CCc1ccc([C@H](C)N[C@@H]2CCC[C@H]2F)o1 ZINC000340532777 386147706 /nfs/dbraw/zinc/14/77/06/386147706.db2.gz TWZKXIXLUWYDOK-MVWJERBFSA-N 0 1 225.307 3.383 20 0 BGADMN CCc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)o1 ZINC000340532779 388492765 /nfs/dbraw/zinc/49/27/65/388492765.db2.gz TWZKXIXLUWYDOK-WCQGTBRESA-N 0 1 225.307 3.383 20 0 BGADMN CCc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)o1 ZINC000340532780 388493139 /nfs/dbraw/zinc/49/31/39/388493139.db2.gz TWZKXIXLUWYDOK-ZMLRMANQSA-N 0 1 225.307 3.383 20 0 BGADMN CSc1cccc(N(C)Cc2[nH]ncc2C)c1 ZINC000340574982 386265297 /nfs/dbraw/zinc/26/52/97/386265297.db2.gz SKOIZJMQTMDKQK-UHFFFAOYSA-N 0 1 247.367 3.076 20 0 BGADMN FCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000340579750 386275449 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/nfs/dbraw/zinc/91/97/77/386919777.db2.gz PRTQSVRULFPEAQ-UHFFFAOYSA-N 0 1 245.301 3.347 20 0 BGADMN CC/C=C\CCSc1n[nH]c(C2CC2)n1 ZINC000341580059 346526144 /nfs/dbraw/zinc/52/61/44/346526144.db2.gz FFPHCMMJINPCME-ARJAWSKDSA-N 0 1 223.345 3.131 20 0 BGADMN CC/C=C\CCSc1nc(C2CC2)n[nH]1 ZINC000341580059 346526141 /nfs/dbraw/zinc/52/61/41/346526141.db2.gz FFPHCMMJINPCME-ARJAWSKDSA-N 0 1 223.345 3.131 20 0 BGADMN CN(Cc1nc2cccnc2s1)CC(C)(C)C ZINC000341581188 386924792 /nfs/dbraw/zinc/92/47/92/386924792.db2.gz ZHAGJAAMWASGIS-UHFFFAOYSA-N 0 1 249.383 3.169 20 0 BGADMN CC(C)N(Cc1nc2cccnc2s1)C1CC1 ZINC000341591237 191689622 /nfs/dbraw/zinc/68/96/22/191689622.db2.gz WZTAXHDWPQUJSU-UHFFFAOYSA-N 0 1 247.367 3.064 20 0 BGADMN Cc1cccnc1CNC(C)(C)c1cccs1 ZINC000341592749 179382609 /nfs/dbraw/zinc/38/26/09/179382609.db2.gz NIOWJYUNPNIJOE-UHFFFAOYSA-N 0 1 246.379 3.476 20 0 BGADMN CCCN(Cc1nc2cccnc2s1)C1CC1 ZINC000341623328 169181513 /nfs/dbraw/zinc/18/15/13/169181513.db2.gz SKFKRBMXKATJNC-UHFFFAOYSA-N 0 1 247.367 3.066 20 0 BGADMN C[C@H](c1ccccc1)[N@@H+](C)CCOCC1CCC1 ZINC000341677723 177038105 /nfs/dbraw/zinc/03/81/05/177038105.db2.gz POCLXEJNIMNIHF-CQSZACIVSA-N 0 1 247.382 3.496 20 0 BGADMN FC(F)CN(CC1CCC1)CC1CCC1 ZINC000341755744 386961184 /nfs/dbraw/zinc/96/11/84/386961184.db2.gz IQQQSBBPXOUFGF-UHFFFAOYSA-N 0 1 217.303 3.154 20 0 BGADMN CC(C)CN(CC(F)F)CC1CCC1 ZINC000341757506 386960479 /nfs/dbraw/zinc/96/04/79/386960479.db2.gz XOBNLAUXGVXGMX-UHFFFAOYSA-N 0 1 205.292 3.010 20 0 BGADMN C[C@@H]1c2cccn2CCN1CCC(C)(C)C ZINC000341835120 386971822 /nfs/dbraw/zinc/97/18/22/386971822.db2.gz LRWXDIXNDUVVBW-GFCCVEGCSA-N 0 1 220.360 3.301 20 0 BGADMN C[C@H]1c2cccn2CCN1CCC(C)(C)C ZINC000341835121 386970441 /nfs/dbraw/zinc/97/04/41/386970441.db2.gz LRWXDIXNDUVVBW-LBPRGKRZSA-N 0 1 220.360 3.301 20 0 BGADMN CCc1cnc(CN(C)CCCCCF)s1 ZINC000341878831 352730678 /nfs/dbraw/zinc/73/06/78/352730678.db2.gz WBROTIAALQIPHD-UHFFFAOYSA-N 0 1 244.379 3.277 20 0 BGADMN FCCCCCN1CCc2cccc(F)c2C1 ZINC000341919068 386992533 /nfs/dbraw/zinc/99/25/33/386992533.db2.gz ZRADGEMBMIUJFR-UHFFFAOYSA-N 0 1 239.309 3.324 20 0 BGADMN Cc1ccnc(NC[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000341981277 387006634 /nfs/dbraw/zinc/00/66/34/387006634.db2.gz HTKOESQTBILMEY-CABCVRRESA-N 0 1 246.354 3.007 20 0 BGADMN Cc1ccnc(NC[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000341981278 387006685 /nfs/dbraw/zinc/00/66/85/387006685.db2.gz HTKOESQTBILMEY-GJZGRUSLSA-N 0 1 246.354 3.007 20 0 BGADMN Cc1ccnc(NC[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000341981279 387006595 /nfs/dbraw/zinc/00/65/95/387006595.db2.gz HTKOESQTBILMEY-HUUCEWRRSA-N 0 1 246.354 3.007 20 0 BGADMN Cc1ccnc(NC[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000341981280 387006707 /nfs/dbraw/zinc/00/67/07/387006707.db2.gz HTKOESQTBILMEY-LSDHHAIUSA-N 0 1 246.354 3.007 20 0 BGADMN C[C@@H](NCCF)c1ccc(-c2ccncc2)cc1 ZINC000342042233 385917315 /nfs/dbraw/zinc/91/73/15/385917315.db2.gz DYWDZGXZLIGXLZ-GFCCVEGCSA-N 0 1 244.313 3.369 20 0 BGADMN C[C@H](NCCF)c1ccc(-c2ccncc2)cc1 ZINC000342042236 385917510 /nfs/dbraw/zinc/91/75/10/385917510.db2.gz DYWDZGXZLIGXLZ-LBPRGKRZSA-N 0 1 244.313 3.369 20 0 BGADMN C[C@@H](Sc1c[nH]nn1)c1ccc(Cl)cc1 ZINC000342076332 176010371 /nfs/dbraw/zinc/01/03/71/176010371.db2.gz OCGPBSKPGNAZHM-SSDOTTSWSA-N 0 1 239.731 3.311 20 0 BGADMN C[C@H](Sc1c[nH]nn1)c1ccc(Cl)cc1 ZINC000342076333 177030054 /nfs/dbraw/zinc/03/00/54/177030054.db2.gz OCGPBSKPGNAZHM-ZETCQYMHSA-N 0 1 239.731 3.311 20 0 BGADMN C[C@@H](Sc1c[nH]nn1)c1cccc(Cl)c1 ZINC000342102427 176010096 /nfs/dbraw/zinc/01/00/96/176010096.db2.gz SGCJMFJOVGROKA-SSDOTTSWSA-N 0 1 239.731 3.311 20 0 BGADMN C[C@H](Sc1c[nH]nn1)c1cccc(Cl)c1 ZINC000342102429 177030076 /nfs/dbraw/zinc/03/00/76/177030076.db2.gz SGCJMFJOVGROKA-ZETCQYMHSA-N 0 1 239.731 3.311 20 0 BGADMN CC(C)(C)C[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000342120351 385933266 /nfs/dbraw/zinc/93/32/66/385933266.db2.gz HYIPBGICWSFBEJ-GFCCVEGCSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)(C)C[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000342120353 385932089 /nfs/dbraw/zinc/93/20/89/385932089.db2.gz HYIPBGICWSFBEJ-LBPRGKRZSA-N 0 1 241.375 3.142 20 0 BGADMN CCCCC[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000342123641 385932597 /nfs/dbraw/zinc/93/25/97/385932597.db2.gz HVNHRFRUMKRPFM-CYBMUJFWSA-N 0 1 241.375 3.286 20 0 BGADMN CCCCC[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000342123644 385931887 /nfs/dbraw/zinc/93/18/87/385931887.db2.gz HVNHRFRUMKRPFM-ZDUSSCGKSA-N 0 1 241.375 3.286 20 0 BGADMN Cc1ccncc1C[N@@H+](C)CCC(C)(C)C ZINC000342130046 385934649 /nfs/dbraw/zinc/93/46/49/385934649.db2.gz NLFNWGICQDBTCT-UHFFFAOYSA-N 0 1 220.360 3.258 20 0 BGADMN CCc1oc2ccccc2c1CN[C@@H](C)CF ZINC000342193928 172112942 /nfs/dbraw/zinc/11/29/42/172112942.db2.gz BABAREJPOTYSLM-JTQLQIEISA-N 0 1 235.302 3.443 20 0 BGADMN CCc1oc2ccccc2c1CN[C@H](C)CF ZINC000342193929 172112764 /nfs/dbraw/zinc/11/27/64/172112764.db2.gz BABAREJPOTYSLM-SNVBAGLBSA-N 0 1 235.302 3.443 20 0 BGADMN Cc1cc2cc(CN[C@H](C)CF)oc2cc1C ZINC000342198788 178294433 /nfs/dbraw/zinc/29/44/33/178294433.db2.gz ISNFWCMXAKRJGT-LLVKDONJSA-N 0 1 235.302 3.497 20 0 BGADMN Cc1cc2cc(CN[C@@H](C)CF)oc2cc1C ZINC000342198789 178294452 /nfs/dbraw/zinc/29/44/52/178294452.db2.gz ISNFWCMXAKRJGT-NSHDSACASA-N 0 1 235.302 3.497 20 0 BGADMN Cc1cc(C(F)(F)F)ccc1CN[C@H](C)CF ZINC000342200130 385957718 /nfs/dbraw/zinc/95/77/18/385957718.db2.gz KGQFFXSCQLVNMC-SECBINFHSA-N 0 1 249.251 3.461 20 0 BGADMN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)CF ZINC000342200137 385955727 /nfs/dbraw/zinc/95/57/27/385955727.db2.gz KGQFFXSCQLVNMC-VIFPVBQESA-N 0 1 249.251 3.461 20 0 BGADMN CC(C)COc1cccc(CN[C@H](C)CF)c1 ZINC000342207113 188399033 /nfs/dbraw/zinc/39/90/33/188399033.db2.gz STZIFNRWUXRDLE-GFCCVEGCSA-N 0 1 239.334 3.169 20 0 BGADMN CC(C)COc1cccc(CN[C@@H](C)CF)c1 ZINC000342207114 385957785 /nfs/dbraw/zinc/95/77/85/385957785.db2.gz STZIFNRWUXRDLE-LBPRGKRZSA-N 0 1 239.334 3.169 20 0 BGADMN CC/C=C/CCN1CCOC[C@H]1c1ccccc1 ZINC000342208638 385961021 /nfs/dbraw/zinc/96/10/21/385961021.db2.gz TWDZZJGVKCAOLU-CWDCEQMOSA-N 0 1 245.366 3.416 20 0 BGADMN CC/C=C\CCN1CCOC[C@@H]1c1ccccc1 ZINC000342208639 385960704 /nfs/dbraw/zinc/96/07/04/385960704.db2.gz TWDZZJGVKCAOLU-MJSXRHKHSA-N 0 1 245.366 3.416 20 0 BGADMN CC/C=C/CCN1CCOC[C@@H]1c1ccccc1 ZINC000342208640 385959614 /nfs/dbraw/zinc/95/96/14/385959614.db2.gz TWDZZJGVKCAOLU-QDLOVBKTSA-N 0 1 245.366 3.416 20 0 BGADMN CC/C=C\CCN1CCOC[C@H]1c1ccccc1 ZINC000342208641 385958740 /nfs/dbraw/zinc/95/87/40/385958740.db2.gz TWDZZJGVKCAOLU-QGZUEGPWSA-N 0 1 245.366 3.416 20 0 BGADMN COc1ccc2ccccc2c1CN[C@H](C)CF ZINC000342211484 175226439 /nfs/dbraw/zinc/22/64/39/175226439.db2.gz YYUJXFRPSLIBBS-LLVKDONJSA-N 0 1 247.313 3.296 20 0 BGADMN COc1ccc2ccccc2c1CN[C@@H](C)CF ZINC000342211486 175226362 /nfs/dbraw/zinc/22/63/62/175226362.db2.gz YYUJXFRPSLIBBS-NSHDSACASA-N 0 1 247.313 3.296 20 0 BGADMN CC/C=C/CCN1CCO[C@H](c2ccccc2)C1 ZINC000342220226 385963250 /nfs/dbraw/zinc/96/32/50/385963250.db2.gz KRYNTFCGSODAPR-CWDCEQMOSA-N 0 1 245.366 3.416 20 0 BGADMN CC/C=C\CCN1CCO[C@@H](c2ccccc2)C1 ZINC000342220228 385962775 /nfs/dbraw/zinc/96/27/75/385962775.db2.gz KRYNTFCGSODAPR-MJSXRHKHSA-N 0 1 245.366 3.416 20 0 BGADMN CC/C=C/CCN1CCO[C@@H](c2ccccc2)C1 ZINC000342220229 385962340 /nfs/dbraw/zinc/96/23/40/385962340.db2.gz KRYNTFCGSODAPR-QDLOVBKTSA-N 0 1 245.366 3.416 20 0 BGADMN CC/C=C\CCN1CCO[C@H](c2ccccc2)C1 ZINC000342220230 385962320 /nfs/dbraw/zinc/96/23/20/385962320.db2.gz KRYNTFCGSODAPR-QGZUEGPWSA-N 0 1 245.366 3.416 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@H]2C(F)F)o1 ZINC000342228658 135253579 /nfs/dbraw/zinc/25/35/79/135253579.db2.gz YZSQJDYPVVEIHY-APHKKCJPSA-N 0 1 241.281 3.146 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@H]2C(F)F)o1 ZINC000342228659 135253943 /nfs/dbraw/zinc/25/39/43/135253943.db2.gz YZSQJDYPVVEIHY-DQDDRIPDSA-N 0 1 241.281 3.146 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@@H]2C(F)F)o1 ZINC000342228661 135253997 /nfs/dbraw/zinc/25/39/97/135253997.db2.gz YZSQJDYPVVEIHY-GRLWKWRFSA-N 0 1 241.281 3.146 20 0 BGADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@@H]2C(F)F)o1 ZINC000342228663 135253965 /nfs/dbraw/zinc/25/39/65/135253965.db2.gz YZSQJDYPVVEIHY-PXIYARARSA-N 0 1 241.281 3.146 20 0 BGADMN C[C@@H](NCCF)c1ccc(-c2cccnc2)cc1 ZINC000342246622 385952509 /nfs/dbraw/zinc/95/25/09/385952509.db2.gz SNXXKKGTLSOOHS-GFCCVEGCSA-N 0 1 244.313 3.369 20 0 BGADMN C[C@H](NCCF)c1ccc(-c2cccnc2)cc1 ZINC000342246623 385952532 /nfs/dbraw/zinc/95/25/32/385952532.db2.gz SNXXKKGTLSOOHS-LBPRGKRZSA-N 0 1 244.313 3.369 20 0 BGADMN CC/C=C/CCN(CC(=O)OCC)C(C)(C)C ZINC000342253529 385953512 /nfs/dbraw/zinc/95/35/12/385953512.db2.gz UXDSDJVSQJTYPE-CMDGGOBGSA-N 0 1 241.375 3.006 20 0 BGADMN CC/C=C\CCN(CC(=O)OCC)C(C)(C)C ZINC000342253530 167859404 /nfs/dbraw/zinc/85/94/04/167859404.db2.gz UXDSDJVSQJTYPE-HJWRWDBZSA-N 0 1 241.375 3.006 20 0 BGADMN CC/C=C\CCN1CCn2cccc2[C@H]1C ZINC000342276748 365542267 /nfs/dbraw/zinc/54/22/67/365542267.db2.gz TZUMHVABKMONDW-DSYXLKISSA-N 0 1 218.344 3.221 20 0 BGADMN CC/C=C\CCN1CCn2cccc2[C@@H]1C ZINC000342276782 365542084 /nfs/dbraw/zinc/54/20/84/365542084.db2.gz TZUMHVABKMONDW-ZFDPJTLLSA-N 0 1 218.344 3.221 20 0 BGADMN COc1cc([C@H](C)NCc2ccsc2)ccn1 ZINC000342289160 135256372 /nfs/dbraw/zinc/25/63/72/135256372.db2.gz WDLDKFGXKSVICM-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1cc([C@@H](C)NCc2ccsc2)ccn1 ZINC000342289162 135256749 /nfs/dbraw/zinc/25/67/49/135256749.db2.gz WDLDKFGXKSVICM-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN C/C=C\c1ccc(NCc2cn[nH]c2C)cc1 ZINC000342290240 135256320 /nfs/dbraw/zinc/25/63/20/135256320.db2.gz XANBKWIUIJWKHK-ARJAWSKDSA-N 0 1 227.311 3.363 20 0 BGADMN C/C=C/c1ccc(NCc2cn[nH]c2C)cc1 ZINC000342290241 533456653 /nfs/dbraw/zinc/45/66/53/533456653.db2.gz XANBKWIUIJWKHK-ONEGZZNKSA-N 0 1 227.311 3.363 20 0 BGADMN CCn1ccnc1CN1CC(C)(C)CC(C)(C)C1 ZINC000342333897 136223027 /nfs/dbraw/zinc/22/30/27/136223027.db2.gz FSEWASHPEGGLEH-UHFFFAOYSA-N 0 1 249.402 3.161 20 0 BGADMN COc1ccccc1[C@@H](CC(C)C)NCCF ZINC000342337781 135264852 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/nfs/dbraw/zinc/01/67/76/134016776.db2.gz BEWWRTAUVLRLTH-UHFFFAOYSA-N 0 1 245.347 3.012 20 0 BGADMN CC(C)[C@H]1CCN1Cc1cccc(O)c1Cl ZINC000351971669 535202544 /nfs/dbraw/zinc/20/25/44/535202544.db2.gz DYGNHYOUEWTBFH-LLVKDONJSA-N 0 1 239.746 3.276 20 0 BGADMN CC(C)[C@@H]1CCN1Cc1cccc(O)c1Cl ZINC000351971670 134025278 /nfs/dbraw/zinc/02/52/78/134025278.db2.gz DYGNHYOUEWTBFH-NSHDSACASA-N 0 1 239.746 3.276 20 0 BGADMN COc1ccc(F)c(CN2CC[C@H]2C(C)C)c1 ZINC000351971881 134024953 /nfs/dbraw/zinc/02/49/53/134024953.db2.gz GRXBBVZZKRXQTP-AWEZNQCLSA-N 0 1 237.318 3.065 20 0 BGADMN COc1ccc(F)c(CN2CC[C@@H]2C(C)C)c1 ZINC000351971882 134024907 /nfs/dbraw/zinc/02/49/07/134024907.db2.gz GRXBBVZZKRXQTP-CQSZACIVSA-N 0 1 237.318 3.065 20 0 BGADMN Fc1cccc(F)c1C1=CCN(CC2CC2)CC1 ZINC000351984298 134025781 /nfs/dbraw/zinc/02/57/81/134025781.db2.gz XGQPPVDAUSFAKP-UHFFFAOYSA-N 0 1 249.304 3.464 20 0 BGADMN CCN(Cc1nn(CC)c2ccccc12)C1CC1 ZINC000351988619 535394633 /nfs/dbraw/zinc/39/46/33/535394633.db2.gz JUSFQCUIYGUNFG-UHFFFAOYSA-N 0 1 243.354 3.041 20 0 BGADMN CC[N@@H+](CCC1CC1)Cc1cc(O)cc(F)c1 ZINC000351989576 134027028 /nfs/dbraw/zinc/02/70/28/134027028.db2.gz UZHORKITLHDHCX-UHFFFAOYSA-N 0 1 237.318 3.153 20 0 BGADMN CCCN(Cc1ncc(Cl)s1)CC1CC1 ZINC000351994626 134032910 /nfs/dbraw/zinc/03/29/10/134032910.db2.gz HJCDHZKMECTROA-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN CCCN1CC=C(c2c(F)cccc2F)CC1 ZINC000352020396 535349910 /nfs/dbraw/zinc/34/99/10/535349910.db2.gz IBABBEVQMRAUAP-UHFFFAOYSA-N 0 1 237.293 3.464 20 0 BGADMN CC(C)N1CC=C(c2c(F)cccc2F)CC1 ZINC000352021569 134037471 /nfs/dbraw/zinc/03/74/71/134037471.db2.gz MBHJOIYXCCQSQH-UHFFFAOYSA-N 0 1 237.293 3.462 20 0 BGADMN FCCCCN1CCc2c(Cl)cccc2C1 ZINC000352024887 387008926 /nfs/dbraw/zinc/00/89/26/387008926.db2.gz JXPAUUFEKLZERK-UHFFFAOYSA-N 0 1 241.737 3.448 20 0 BGADMN C[C@H](F)CCN1CCc2c(Cl)cccc2C1 ZINC000352028966 134044130 /nfs/dbraw/zinc/04/41/30/134044130.db2.gz QUSKOMWGIDHWPG-JTQLQIEISA-N 0 1 241.737 3.446 20 0 BGADMN C[C@@H](F)CCN1CCc2c(Cl)cccc2C1 ZINC000352028967 134044375 /nfs/dbraw/zinc/04/43/75/134044375.db2.gz QUSKOMWGIDHWPG-SNVBAGLBSA-N 0 1 241.737 3.446 20 0 BGADMN Cc1ccnc(NC[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000352038924 134045440 /nfs/dbraw/zinc/04/54/40/134045440.db2.gz ATAWPLVXCYACIB-KBPBESRZSA-N 0 1 248.370 3.253 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000352038929 134045783 /nfs/dbraw/zinc/04/57/83/134045783.db2.gz ATAWPLVXCYACIB-KGLIPLIRSA-N 0 1 248.370 3.253 20 0 BGADMN Cc1ccnc(NC[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000352038930 134045348 /nfs/dbraw/zinc/04/53/48/134045348.db2.gz ATAWPLVXCYACIB-UONOGXRCSA-N 0 1 248.370 3.253 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000352038931 134045476 /nfs/dbraw/zinc/04/54/76/134045476.db2.gz ATAWPLVXCYACIB-ZIAGYGMSSA-N 0 1 248.370 3.253 20 0 BGADMN Cc1nccc(N(C)CC(C)C)c1Cl ZINC000352071402 134055065 /nfs/dbraw/zinc/05/50/65/134055065.db2.gz ZDYNYMSCUQZKMB-UHFFFAOYSA-N 0 1 212.724 3.136 20 0 BGADMN CC(C)CCC[NH2+]Cc1c(F)ccc([O-])c1F ZINC000352086513 134060883 /nfs/dbraw/zinc/06/08/83/134060883.db2.gz DFAVVDURIOMFJG-UHFFFAOYSA-N 0 1 243.297 3.196 20 0 BGADMN CC(C)(C)CC[NH2+]Cc1c(F)ccc([O-])c1F ZINC000352091103 134061447 /nfs/dbraw/zinc/06/14/47/134061447.db2.gz GZGKWKBGDVRHFD-UHFFFAOYSA-N 0 1 243.297 3.196 20 0 BGADMN C[C@@H](F)CCN1CCCC[C@@H]1c1nccs1 ZINC000352116832 134074446 /nfs/dbraw/zinc/07/44/46/134074446.db2.gz ARSUDSDAKBWGAL-GHMZBOCLSA-N 0 1 242.363 3.418 20 0 BGADMN C[C@@H](F)CCN1CCCC[C@H]1c1nccs1 ZINC000352116833 134074474 /nfs/dbraw/zinc/07/44/74/134074474.db2.gz ARSUDSDAKBWGAL-MNOVXSKESA-N 0 1 242.363 3.418 20 0 BGADMN C[C@H](F)CCN1CCCC[C@H]1c1nccs1 ZINC000352116834 134074369 /nfs/dbraw/zinc/07/43/69/134074369.db2.gz ARSUDSDAKBWGAL-QWRGUYRKSA-N 0 1 242.363 3.418 20 0 BGADMN C[C@H](F)CCN1CCCC[C@@H]1c1nccs1 ZINC000352116835 134074701 /nfs/dbraw/zinc/07/47/01/134074701.db2.gz ARSUDSDAKBWGAL-WDEREUQCSA-N 0 1 242.363 3.418 20 0 BGADMN c1[nH]nnc1CSc1ccc2ccccc2c1 ZINC000352159916 134090128 /nfs/dbraw/zinc/09/01/28/134090128.db2.gz DMMOIMMZEVEQQH-UHFFFAOYSA-N 0 1 241.319 3.250 20 0 BGADMN CC1(C2CC2)CCN(Cc2cncc(F)c2)CC1 ZINC000352176221 535109262 /nfs/dbraw/zinc/10/92/62/535109262.db2.gz MHTUYAZZLHDVLV-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN FC(F)C1(NCC[C@H]2CCCO2)CCCCC1 ZINC000352194160 134098105 /nfs/dbraw/zinc/09/81/05/134098105.db2.gz IGYODKKJBWNXHX-LLVKDONJSA-N 0 1 247.329 3.113 20 0 BGADMN FC(F)C1(NCC[C@@H]2CCCO2)CCCCC1 ZINC000352194161 134098512 /nfs/dbraw/zinc/09/85/12/134098512.db2.gz IGYODKKJBWNXHX-NSHDSACASA-N 0 1 247.329 3.113 20 0 BGADMN CC1(C2CC2)CCN(Cc2ccc(F)cn2)CC1 ZINC000352200082 535109529 /nfs/dbraw/zinc/10/95/29/535109529.db2.gz HZNDSOYLZROWMG-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN COC1CC(N(C)Cc2sccc2Cl)C1 ZINC000352212367 536719826 /nfs/dbraw/zinc/71/98/26/536719826.db2.gz PEMAHUSELIMZDB-UHFFFAOYSA-N 0 1 245.775 3.011 20 0 BGADMN Fc1ccc(/C=C/CNCc2ccco2)cc1F ZINC000352240027 134118173 /nfs/dbraw/zinc/11/81/73/134118173.db2.gz BXUNFXUXXSZYBM-HNQUOIGGSA-N 0 1 249.260 3.361 20 0 BGADMN Fc1ccc(/C=C\CNCc2ccco2)cc1F ZINC000352240028 134118371 /nfs/dbraw/zinc/11/83/71/134118371.db2.gz BXUNFXUXXSZYBM-IWQZZHSRSA-N 0 1 249.260 3.361 20 0 BGADMN CCc1ccc(CNCc2ccc(F)cc2)cn1 ZINC000352240908 134118240 /nfs/dbraw/zinc/11/82/40/134118240.db2.gz JTUZJLNTUFTNFU-UHFFFAOYSA-N 0 1 244.313 3.073 20 0 BGADMN c1coc(CNCc2ccc3occc3c2)c1 ZINC000352242000 134118250 /nfs/dbraw/zinc/11/82/50/134118250.db2.gz OBQWRZBQJDLLNQ-UHFFFAOYSA-N 0 1 227.263 3.316 20 0 BGADMN CC[C@@H](F)CNC1(c2cccc(OC)c2)CC1 ZINC000352256800 134118980 /nfs/dbraw/zinc/11/89/80/134118980.db2.gz MDFVSJBCFRIVPZ-GFCCVEGCSA-N 0 1 237.318 3.022 20 0 BGADMN CC[C@H](F)CNC1(c2cccc(OC)c2)CC1 ZINC000352256801 134118796 /nfs/dbraw/zinc/11/87/96/134118796.db2.gz MDFVSJBCFRIVPZ-LBPRGKRZSA-N 0 1 237.318 3.022 20 0 BGADMN CCc1ccc(CNCc2ccccc2F)cn1 ZINC000352257419 134119780 /nfs/dbraw/zinc/11/97/80/134119780.db2.gz UITPNNUWNKPNMT-UHFFFAOYSA-N 0 1 244.313 3.073 20 0 BGADMN CCc1ccc(CN[C@H](C)c2ccc(C)o2)cn1 ZINC000352257798 134119890 /nfs/dbraw/zinc/11/98/90/134119890.db2.gz XSSUSLYSYNMLSE-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ccc(CN[C@@H](C)c2ccc(C)o2)cn1 ZINC000352257799 134120025 /nfs/dbraw/zinc/12/00/25/134120025.db2.gz XSSUSLYSYNMLSE-LBPRGKRZSA-N 0 1 244.338 3.396 20 0 BGADMN CCn1nccc1CN(C)CCCC(C)(C)C ZINC000352341720 172263669 /nfs/dbraw/zinc/26/36/69/172263669.db2.gz JBBXCZGHOAQNSX-UHFFFAOYSA-N 0 1 237.391 3.161 20 0 BGADMN Cc1ccccc1C[C@@H](C)N(C)Cc1ccon1 ZINC000352342309 179288332 /nfs/dbraw/zinc/28/83/32/179288332.db2.gz QUXISOJRGVJRRH-CYBMUJFWSA-N 0 1 244.338 3.046 20 0 BGADMN Cc1ccccc1C[C@H](C)N(C)Cc1ccon1 ZINC000352342310 179290578 /nfs/dbraw/zinc/29/05/78/179290578.db2.gz QUXISOJRGVJRRH-ZDUSSCGKSA-N 0 1 244.338 3.046 20 0 BGADMN Cc1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1C ZINC000352371560 387115276 /nfs/dbraw/zinc/11/52/76/387115276.db2.gz KFIRXYVFOWLDNG-CVEARBPZSA-N 0 1 245.366 3.057 20 0 BGADMN Cc1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1C ZINC000352371561 178575459 /nfs/dbraw/zinc/57/54/59/178575459.db2.gz KFIRXYVFOWLDNG-HOTGVXAUSA-N 0 1 245.366 3.057 20 0 BGADMN Cc1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1C ZINC000352371562 387115889 /nfs/dbraw/zinc/11/58/89/387115889.db2.gz KFIRXYVFOWLDNG-HZPDHXFCSA-N 0 1 245.366 3.057 20 0 BGADMN Cc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000352371563 387116876 /nfs/dbraw/zinc/11/68/76/387116876.db2.gz KFIRXYVFOWLDNG-JKSUJKDBSA-N 0 1 245.366 3.057 20 0 BGADMN CCc1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000352376190 387129281 /nfs/dbraw/zinc/12/92/81/387129281.db2.gz LNSQMSCOBPGBPQ-CVEARBPZSA-N 0 1 245.366 3.002 20 0 BGADMN CCc1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000352376191 387130451 /nfs/dbraw/zinc/13/04/51/387130451.db2.gz LNSQMSCOBPGBPQ-HOTGVXAUSA-N 0 1 245.366 3.002 20 0 BGADMN CCc1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000352376192 387130328 /nfs/dbraw/zinc/13/03/28/387130328.db2.gz LNSQMSCOBPGBPQ-HZPDHXFCSA-N 0 1 245.366 3.002 20 0 BGADMN CCc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000352376193 387129969 /nfs/dbraw/zinc/12/99/69/387129969.db2.gz LNSQMSCOBPGBPQ-JKSUJKDBSA-N 0 1 245.366 3.002 20 0 BGADMN Cc1ccc(CN2CCO[C@H]3CCC[C@H]32)c(C)c1 ZINC000352388040 387143110 /nfs/dbraw/zinc/14/31/10/387143110.db2.gz ITGRYUBAGWZLKY-CVEARBPZSA-N 0 1 245.366 3.057 20 0 BGADMN Cc1ccc(CN2CCO[C@H]3CCC[C@@H]32)c(C)c1 ZINC000352388041 387143298 /nfs/dbraw/zinc/14/32/98/387143298.db2.gz ITGRYUBAGWZLKY-HOTGVXAUSA-N 0 1 245.366 3.057 20 0 BGADMN Cc1ccc(CN2CCO[C@@H]3CCC[C@H]32)c(C)c1 ZINC000352388042 387144094 /nfs/dbraw/zinc/14/40/94/387144094.db2.gz ITGRYUBAGWZLKY-HZPDHXFCSA-N 0 1 245.366 3.057 20 0 BGADMN Cc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000352388043 387143895 /nfs/dbraw/zinc/14/38/95/387143895.db2.gz ITGRYUBAGWZLKY-JKSUJKDBSA-N 0 1 245.366 3.057 20 0 BGADMN C[C@H](F)CCN1CCc2cc(Cl)ccc2C1 ZINC000352393836 387146385 /nfs/dbraw/zinc/14/63/85/387146385.db2.gz CXQLJOKPQXAXCP-JTQLQIEISA-N 0 1 241.737 3.446 20 0 BGADMN C[C@@H](F)CCN1CCc2cc(Cl)ccc2C1 ZINC000352393837 387146033 /nfs/dbraw/zinc/14/60/33/387146033.db2.gz CXQLJOKPQXAXCP-SNVBAGLBSA-N 0 1 241.737 3.446 20 0 BGADMN FCCCCN1CCc2cc(Cl)ccc2C1 ZINC000352395032 387145965 /nfs/dbraw/zinc/14/59/65/387145965.db2.gz YRUTZVKRSZLRGS-UHFFFAOYSA-N 0 1 241.737 3.448 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1nccn1C(C)C ZINC000352396897 356336680 /nfs/dbraw/zinc/33/66/80/356336680.db2.gz FNRYWECPMNJTNY-CYBMUJFWSA-N 0 1 237.391 3.475 20 0 BGADMN CCCC[C@H](C)N(C)Cc1nccn1C(C)C ZINC000352396898 356337063 /nfs/dbraw/zinc/33/70/63/356337063.db2.gz FNRYWECPMNJTNY-ZDUSSCGKSA-N 0 1 237.391 3.475 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1ccn(C(C)C)n1 ZINC000352397944 356337657 /nfs/dbraw/zinc/33/76/57/356337657.db2.gz MSKKXINBXGBHPU-CYBMUJFWSA-N 0 1 237.391 3.475 20 0 BGADMN CCCC[C@H](C)N(C)Cc1ccn(C(C)C)n1 ZINC000352397945 356337794 /nfs/dbraw/zinc/33/77/94/356337794.db2.gz MSKKXINBXGBHPU-ZDUSSCGKSA-N 0 1 237.391 3.475 20 0 BGADMN CC(C)n1cc(-c2nc3ccc(F)cc3[nH]2)cn1 ZINC000352398670 387145496 /nfs/dbraw/zinc/14/54/96/387145496.db2.gz FERRADAWLULEGV-UHFFFAOYSA-N 0 1 244.273 3.146 20 0 BGADMN CCCC[C@@H](C)[N@@H+](C)Cc1ccnn1C(C)C ZINC000352399094 356337596 /nfs/dbraw/zinc/33/75/96/356337596.db2.gz RGPGIPRIQPFACC-CYBMUJFWSA-N 0 1 237.391 3.475 20 0 BGADMN CCCC[C@H](C)[N@@H+](C)Cc1ccnn1C(C)C ZINC000352399095 356337412 /nfs/dbraw/zinc/33/74/12/356337412.db2.gz RGPGIPRIQPFACC-ZDUSSCGKSA-N 0 1 237.391 3.475 20 0 BGADMN Cc1ccc2c(c1)CC[N@H+](CC[C@H](C)F)C2 ZINC000352403866 188055002 /nfs/dbraw/zinc/05/50/02/188055002.db2.gz YWVBLWLLYMPWRZ-LBPRGKRZSA-N 0 1 221.319 3.101 20 0 BGADMN Cc1ccc2c(c1)C[N@H+](CCCCF)C2 ZINC000352407789 187367599 /nfs/dbraw/zinc/36/75/99/187367599.db2.gz RSWWTBKFSVXDAH-UHFFFAOYSA-N 0 1 207.292 3.060 20 0 BGADMN CCCC[C@@H](C)[N@@H+](C)Cc1cccnc1C ZINC000352410892 356341692 /nfs/dbraw/zinc/34/16/92/356341692.db2.gz UCDZFLHQTSEZOD-GFCCVEGCSA-N 0 1 220.360 3.401 20 0 BGADMN CCCC[C@H](C)[N@@H+](C)Cc1cccnc1C ZINC000352410893 356341572 /nfs/dbraw/zinc/34/15/72/356341572.db2.gz UCDZFLHQTSEZOD-LBPRGKRZSA-N 0 1 220.360 3.401 20 0 BGADMN CCCC[C@H](C)N(C)Cc1nc(C)c(C)o1 ZINC000352413641 356341931 /nfs/dbraw/zinc/34/19/31/356341931.db2.gz BDEKMDBPCFLLSQ-JTQLQIEISA-N 0 1 224.348 3.302 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1nc(C)c(C)o1 ZINC000352413643 356341985 /nfs/dbraw/zinc/34/19/85/356341985.db2.gz BDEKMDBPCFLLSQ-SNVBAGLBSA-N 0 1 224.348 3.302 20 0 BGADMN C1=C[C@H]([N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCC1 ZINC000352423046 188055492 /nfs/dbraw/zinc/05/54/92/188055492.db2.gz MHUKKZSSRCBFFX-SOUVJXGZSA-N 0 1 247.382 3.129 20 0 BGADMN Cc1ccc(F)c(CN(C)CC[C@@H](C)F)c1 ZINC000352423883 387189302 /nfs/dbraw/zinc/18/93/02/387189302.db2.gz ZVAFLUNZMRIKCX-LLVKDONJSA-N 0 1 227.298 3.314 20 0 BGADMN Cc1ccc(F)c(CN(C)CC[C@H](C)F)c1 ZINC000352423884 387189079 /nfs/dbraw/zinc/18/90/79/387189079.db2.gz ZVAFLUNZMRIKCX-NSHDSACASA-N 0 1 227.298 3.314 20 0 BGADMN CC[C@@H](F)CN1CCC=C(c2ccco2)C1 ZINC000352544523 370687949 /nfs/dbraw/zinc/68/79/49/370687949.db2.gz RHVDMSZBFBLNAX-GFCCVEGCSA-N 0 1 223.291 3.117 20 0 BGADMN CC[C@H](F)CN1CCC=C(c2ccco2)C1 ZINC000352544524 370689217 /nfs/dbraw/zinc/68/92/17/370689217.db2.gz RHVDMSZBFBLNAX-LBPRGKRZSA-N 0 1 223.291 3.117 20 0 BGADMN Cc1ccc(F)cc1CN(C)Cc1cccn1C ZINC000352618637 387385239 /nfs/dbraw/zinc/38/52/39/387385239.db2.gz RTBLSXBMAROMEF-UHFFFAOYSA-N 0 1 246.329 3.105 20 0 BGADMN Cc1ccc(F)cc1CN(C)Cc1ccc[nH]1 ZINC000352630611 387396821 /nfs/dbraw/zinc/39/68/21/387396821.db2.gz UAPNGCCEGGOZRQ-UHFFFAOYSA-N 0 1 232.302 3.094 20 0 BGADMN CN(Cc1ccoc1)Cc1ccc2c(c1)CCC2 ZINC000352642800 387406532 /nfs/dbraw/zinc/40/65/32/387406532.db2.gz KBYDTJGIQGEKLK-UHFFFAOYSA-N 0 1 241.334 3.400 20 0 BGADMN Cc1cc(CN(C)Cc2ccoc2)ccc1F ZINC000352643592 387406804 /nfs/dbraw/zinc/40/68/04/387406804.db2.gz MYEZORPARPANKO-UHFFFAOYSA-N 0 1 233.286 3.359 20 0 BGADMN Cc1cc(F)ccc1CN(C)Cc1ccoc1 ZINC000352650062 178086204 /nfs/dbraw/zinc/08/62/04/178086204.db2.gz RXPAQWFXOPUWJE-UHFFFAOYSA-N 0 1 233.286 3.359 20 0 BGADMN CN(Cc1ccoc1)Cc1cccc2cc[nH]c21 ZINC000352650150 387408787 /nfs/dbraw/zinc/40/87/87/387408787.db2.gz UCASPYNLAJINGA-UHFFFAOYSA-N 0 1 240.306 3.393 20 0 BGADMN CCOc1cccc(CN(C)Cc2ccoc2)c1 ZINC000352650590 387408498 /nfs/dbraw/zinc/40/84/98/387408498.db2.gz ZHZOBZURJBCDOX-UHFFFAOYSA-N 0 1 245.322 3.310 20 0 BGADMN CC[C@H]1CCCN1Cc1c(F)cccc1F ZINC000352651507 387412968 /nfs/dbraw/zinc/41/29/68/387412968.db2.gz AWZMBIGSLDYBPA-JTQLQIEISA-N 0 1 225.282 3.339 20 0 BGADMN CC[C@@H]1CCCN1Cc1c(F)cccc1F ZINC000352651508 356395553 /nfs/dbraw/zinc/39/55/53/356395553.db2.gz AWZMBIGSLDYBPA-SNVBAGLBSA-N 0 1 225.282 3.339 20 0 BGADMN CC[C@H]1CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000352652172 387414743 /nfs/dbraw/zinc/41/47/43/387414743.db2.gz MBFNZEQXAPQKAU-JTQLQIEISA-N 0 1 243.272 3.478 20 0 BGADMN CC[C@@H]1CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000352652174 356395745 /nfs/dbraw/zinc/39/57/45/356395745.db2.gz MBFNZEQXAPQKAU-SNVBAGLBSA-N 0 1 243.272 3.478 20 0 BGADMN COCc1cccc(CN(C)Cc2ccoc2)c1 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ZINC000353220462 386738561 /nfs/dbraw/zinc/73/85/61/386738561.db2.gz OYWLZMCMZXFXBQ-LWTINBJPSA-N 0 1 240.297 3.367 20 0 BGADMN CC/C=C\CCN[C@H](C)c1c(F)cncc1F ZINC000353220463 386737790 /nfs/dbraw/zinc/73/77/90/386737790.db2.gz OYWLZMCMZXFXBQ-UMCURTJPSA-N 0 1 240.297 3.367 20 0 BGADMN COc1ccc(F)c(CN(C)[C@@H]2CC2(C)C)c1 ZINC000353231853 175124908 /nfs/dbraw/zinc/12/49/08/175124908.db2.gz KNLKJWZBVXLSDS-CYBMUJFWSA-N 0 1 237.318 3.065 20 0 BGADMN COc1ccc(F)c(CN(C)[C@H]2CC2(C)C)c1 ZINC000353231854 175124982 /nfs/dbraw/zinc/12/49/82/175124982.db2.gz KNLKJWZBVXLSDS-ZDUSSCGKSA-N 0 1 237.318 3.065 20 0 BGADMN Cc1cc(Cl)cc(CN2CC(C)C2)c1 ZINC000353256991 178063002 /nfs/dbraw/zinc/06/30/02/178063002.db2.gz HGACTZHUCGSKHL-UHFFFAOYSA-N 0 1 209.720 3.100 20 0 BGADMN Cc1cc([C@@H](C)NCC2(CC(C)C)CC2)no1 ZINC000353262711 178222523 /nfs/dbraw/zinc/22/25/23/178222523.db2.gz IOUDVWCEHDIYGV-GFCCVEGCSA-N 0 1 236.359 3.460 20 0 BGADMN Cc1cc([C@H](C)NCC2(CC(C)C)CC2)no1 ZINC000353262717 178246572 /nfs/dbraw/zinc/24/65/72/178246572.db2.gz IOUDVWCEHDIYGV-LBPRGKRZSA-N 0 1 236.359 3.460 20 0 BGADMN Cc1sccc1CN(C)Cc1cnccc1C ZINC000353263618 134003813 /nfs/dbraw/zinc/00/38/13/134003813.db2.gz HBALOIYRDJUKIK-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN C/C=C\c1ccc(NC(=O)Nc2cn[nH]c2)cc1 ZINC000353264879 387167951 /nfs/dbraw/zinc/16/79/51/387167951.db2.gz PTVDOQWQEKEOLS-IHWYPQMZSA-N 0 1 242.282 3.087 20 0 BGADMN C/C=C/c1ccc(NC(=O)Nc2cn[nH]c2)cc1 ZINC000353264881 387169133 /nfs/dbraw/zinc/16/91/33/387169133.db2.gz PTVDOQWQEKEOLS-NSCUHMNNSA-N 0 1 242.282 3.087 20 0 BGADMN CC(C)(C)CCCN1CCOC[C@H]1CC(F)F ZINC000353281431 387170829 /nfs/dbraw/zinc/17/08/29/387170829.db2.gz BOKBVYMVBKYNJK-LLVKDONJSA-N 0 1 249.345 3.169 20 0 BGADMN CC(C)(C)CCCN1CCOC[C@@H]1CC(F)F ZINC000353281594 387171767 /nfs/dbraw/zinc/17/17/67/387171767.db2.gz BOKBVYMVBKYNJK-NSHDSACASA-N 0 1 249.345 3.169 20 0 BGADMN CCC(C)(C)CCN1CCOC[C@H]1CC(F)F ZINC000353282414 168275425 /nfs/dbraw/zinc/27/54/25/168275425.db2.gz IYGDZWSPROEXJK-LLVKDONJSA-N 0 1 249.345 3.169 20 0 BGADMN CCC(C)(C)CCN1CCOC[C@@H]1CC(F)F ZINC000353282415 168275819 /nfs/dbraw/zinc/27/58/19/168275819.db2.gz IYGDZWSPROEXJK-NSHDSACASA-N 0 1 249.345 3.169 20 0 BGADMN CC(C)C[C@@H](C)CN1CCOC[C@@H]1CC(F)F ZINC000353328553 387181057 /nfs/dbraw/zinc/18/10/57/387181057.db2.gz MFHOUVKUPVLEPG-NEPJUHHUSA-N 0 1 249.345 3.025 20 0 BGADMN CC(C)C[C@H](C)CN1CCOC[C@H]1CC(F)F ZINC000353328554 387181047 /nfs/dbraw/zinc/18/10/47/387181047.db2.gz MFHOUVKUPVLEPG-NWDGAFQWSA-N 0 1 249.345 3.025 20 0 BGADMN CC(C)C[C@H](C)CN1CCOC[C@@H]1CC(F)F ZINC000353328555 187373559 /nfs/dbraw/zinc/37/35/59/187373559.db2.gz MFHOUVKUPVLEPG-RYUDHWBXSA-N 0 1 249.345 3.025 20 0 BGADMN CC(C)C[C@@H](C)CN1CCOC[C@H]1CC(F)F ZINC000353328556 387180883 /nfs/dbraw/zinc/18/08/83/387180883.db2.gz MFHOUVKUPVLEPG-VXGBXAGGSA-N 0 1 249.345 3.025 20 0 BGADMN Cc1nccc(N2C[C@H](C)[C@H](C)C2)c1Cl ZINC000353373438 180194622 /nfs/dbraw/zinc/19/46/22/180194622.db2.gz IZZDLIWUWUQOPX-DTORHVGOSA-N 0 1 224.735 3.136 20 0 BGADMN Cc1nccc(N2C[C@H](C)[C@@H](C)C2)c1Cl ZINC000353373439 180194980 /nfs/dbraw/zinc/19/49/80/180194980.db2.gz IZZDLIWUWUQOPX-IUCAKERBSA-N 0 1 224.735 3.136 20 0 BGADMN Cc1nccc(N2C[C@@H](C)[C@H](C)C2)c1Cl ZINC000353373440 180195043 /nfs/dbraw/zinc/19/50/43/180195043.db2.gz IZZDLIWUWUQOPX-RKDXNWHRSA-N 0 1 224.735 3.136 20 0 BGADMN Cc1nccc(N2CCC[C@H]2C)c1Cl ZINC000353378488 387189558 /nfs/dbraw/zinc/18/95/58/387189558.db2.gz WFVITVQBFDPDTJ-MRVPVSSYSA-N 0 1 210.708 3.032 20 0 BGADMN Cc1nccc(N2CCC[C@@H]2C)c1Cl ZINC000353378491 187208829 /nfs/dbraw/zinc/20/88/29/187208829.db2.gz WFVITVQBFDPDTJ-QMMMGPOBSA-N 0 1 210.708 3.032 20 0 BGADMN Cc1ccncc1CN(C)Cc1ccc(F)cc1 ZINC000353381302 387192857 /nfs/dbraw/zinc/19/28/57/387192857.db2.gz MWRAQRDAGGNUGJ-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CC1(C)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000353456753 535317411 /nfs/dbraw/zinc/31/74/11/535317411.db2.gz WZCXMUKLMXFZPN-UHFFFAOYSA-N 0 1 243.354 3.185 20 0 BGADMN COc1ccc(F)c(CN2CC(C3CCC3)C2)c1 ZINC000353463330 175123959 /nfs/dbraw/zinc/12/39/59/175123959.db2.gz QDUDYYPWYHYRPR-UHFFFAOYSA-N 0 1 249.329 3.066 20 0 BGADMN CCc1nc(CN2CCCCC[C@H]2C)cs1 ZINC000353467336 351952724 /nfs/dbraw/zinc/95/27/24/351952724.db2.gz BIEMPXSCLDXRNO-LLVKDONJSA-N 0 1 238.400 3.470 20 0 BGADMN CCc1nc(CN2CCCCC[C@@H]2C)cs1 ZINC000353467337 351952943 /nfs/dbraw/zinc/95/29/43/351952943.db2.gz BIEMPXSCLDXRNO-NSHDSACASA-N 0 1 238.400 3.470 20 0 BGADMN Fc1ccc2c(c1)CN(Cc1ccccc1)CC2 ZINC000353506614 387218240 /nfs/dbraw/zinc/21/82/40/387218240.db2.gz MZAGEDRMEARHJL-UHFFFAOYSA-N 0 1 241.309 3.384 20 0 BGADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccnc(C)n1 ZINC000353522771 188210671 /nfs/dbraw/zinc/21/06/71/188210671.db2.gz WJJUZNFVOLUWMS-ZFWWWQNUSA-N 0 1 247.386 3.186 20 0 BGADMN CN(Cc1cc[nH]n1)CC1CCC(C)(C)CC1 ZINC000353523557 387219886 /nfs/dbraw/zinc/21/98/86/387219886.db2.gz XSKMXZOGXWFUHD-UHFFFAOYSA-N 0 1 235.375 3.058 20 0 BGADMN CC[C@H](CN(C)Cc1cc[nH]n1)c1ccccc1 ZINC000353540726 387225327 /nfs/dbraw/zinc/22/53/27/387225327.db2.gz FGEMCUCDWLTYEH-CYBMUJFWSA-N 0 1 243.354 3.035 20 0 BGADMN CC[C@@H](CN(C)Cc1cc[nH]n1)c1ccccc1 ZINC000353540727 387225060 /nfs/dbraw/zinc/22/50/60/387225060.db2.gz FGEMCUCDWLTYEH-ZDUSSCGKSA-N 0 1 243.354 3.035 20 0 BGADMN Cc1nc2ccc(NC(=O)[C@H](C)C(C)C)cc2[nH]1 ZINC000353544398 180094985 /nfs/dbraw/zinc/09/49/85/180094985.db2.gz RBCMAUDKROUZOD-SECBINFHSA-N 0 1 245.326 3.102 20 0 BGADMN Cc1nc2ccc(NC(=O)[C@@H](C)C(C)C)cc2[nH]1 ZINC000353544399 180094784 /nfs/dbraw/zinc/09/47/84/180094784.db2.gz RBCMAUDKROUZOD-VIFPVBQESA-N 0 1 245.326 3.102 20 0 BGADMN CC/C=C\CCN1CCCC[C@@H]1c1nc(C)no1 ZINC000353546275 387225964 /nfs/dbraw/zinc/22/59/64/387225964.db2.gz VOATVDFYGKRMNA-DSYXLKISSA-N 0 1 249.358 3.261 20 0 BGADMN CC/C=C\CCN1CCCC[C@H]1c1nc(C)no1 ZINC000353546277 387226058 /nfs/dbraw/zinc/22/60/58/387226058.db2.gz VOATVDFYGKRMNA-ZFDPJTLLSA-N 0 1 249.358 3.261 20 0 BGADMN CCCCCN1CCCC[C@@H]1c1nc(C)no1 ZINC000353547752 387229057 /nfs/dbraw/zinc/22/90/57/387229057.db2.gz ZPGSAPHEALIASP-GFCCVEGCSA-N 0 1 237.347 3.095 20 0 BGADMN CCCCCN1CCCC[C@H]1c1nc(C)no1 ZINC000353547753 387227633 /nfs/dbraw/zinc/22/76/33/387227633.db2.gz ZPGSAPHEALIASP-LBPRGKRZSA-N 0 1 237.347 3.095 20 0 BGADMN CCc1nocc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000353557661 172098516 /nfs/dbraw/zinc/09/85/16/172098516.db2.gz VYDLDBARZFOYJM-AWEZNQCLSA-N 0 1 246.354 3.002 20 0 BGADMN CCc1nocc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000353557662 172097570 /nfs/dbraw/zinc/09/75/70/172097570.db2.gz VYDLDBARZFOYJM-CQSZACIVSA-N 0 1 246.354 3.002 20 0 BGADMN Cc1noc([C@H]2CCCN2CCC2CCCC2)n1 ZINC000353579049 386148005 /nfs/dbraw/zinc/14/80/05/386148005.db2.gz WKACBRODWXOBAD-CYBMUJFWSA-N 0 1 249.358 3.095 20 0 BGADMN Cc1noc([C@@H]2CCCN2CCC2CCCC2)n1 ZINC000353579051 386148556 /nfs/dbraw/zinc/14/85/56/386148556.db2.gz WKACBRODWXOBAD-ZDUSSCGKSA-N 0 1 249.358 3.095 20 0 BGADMN c1nc(CN2CCC[C@H](c3ccccc3)C2)co1 ZINC000353645729 386713496 /nfs/dbraw/zinc/71/34/96/386713496.db2.gz PTTUCWSCBHBYTG-AWEZNQCLSA-N 0 1 242.322 3.054 20 0 BGADMN c1nc(CN2CCC[C@@H](c3ccccc3)C2)co1 ZINC000353645731 386718747 /nfs/dbraw/zinc/71/87/47/386718747.db2.gz PTTUCWSCBHBYTG-CQSZACIVSA-N 0 1 242.322 3.054 20 0 BGADMN CCc1cccc(F)c1CN(C)CCSC ZINC000353656062 387250822 /nfs/dbraw/zinc/25/08/22/387250822.db2.gz ZQBLBJBOLCHZTH-UHFFFAOYSA-N 0 1 241.375 3.183 20 0 BGADMN Cc1ccc(CN(C)Cc2cnccc2C)s1 ZINC000353661085 387254018 /nfs/dbraw/zinc/25/40/18/387254018.db2.gz NXNCUXVQNQZQSI-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN Clc1ccccc1CN1CCC12CCC2 ZINC000353663630 387253684 /nfs/dbraw/zinc/25/36/84/387253684.db2.gz DLRQLOVDLQFBNQ-UHFFFAOYSA-N 0 1 221.731 3.468 20 0 BGADMN Clc1cccc(CN2CCC23CCC3)c1 ZINC000353668621 387256095 /nfs/dbraw/zinc/25/60/95/387256095.db2.gz YNVHBXPVOMFBQE-UHFFFAOYSA-N 0 1 221.731 3.468 20 0 BGADMN CC(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000353669560 387255824 /nfs/dbraw/zinc/25/58/24/387255824.db2.gz CYAZMHVCAWIDDE-IYBDPMFKSA-N 0 1 245.366 3.173 20 0 BGADMN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1ncc[nH]1 ZINC000353670678 538755444 /nfs/dbraw/zinc/75/54/44/538755444.db2.gz IPWMTAYFBUBNCR-BDAKNGLRSA-N 0 1 249.280 3.037 20 0 BGADMN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ncc[nH]1 ZINC000353670679 538755585 /nfs/dbraw/zinc/75/55/85/538755585.db2.gz IPWMTAYFBUBNCR-DTWKUNHWSA-N 0 1 249.280 3.037 20 0 BGADMN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1ncc[nH]1 ZINC000353670680 538754890 /nfs/dbraw/zinc/75/48/90/538754890.db2.gz IPWMTAYFBUBNCR-IUCAKERBSA-N 0 1 249.280 3.037 20 0 BGADMN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1ncc[nH]1 ZINC000353670681 538754652 /nfs/dbraw/zinc/75/46/52/538754652.db2.gz IPWMTAYFBUBNCR-RKDXNWHRSA-N 0 1 249.280 3.037 20 0 BGADMN CCCc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000353671347 387255573 /nfs/dbraw/zinc/25/55/73/387255573.db2.gz JWXKRSIKXCRKHA-IYBDPMFKSA-N 0 1 245.366 3.002 20 0 BGADMN CCn1cccc1CN(C)Cc1cccs1 ZINC000353671589 172202474 /nfs/dbraw/zinc/20/24/74/172202474.db2.gz KVHKOAGGNCRRGR-UHFFFAOYSA-N 0 1 234.368 3.202 20 0 BGADMN CCn1cccc1CN(C)Cc1ccccc1C ZINC000353672254 172203391 /nfs/dbraw/zinc/20/33/91/172203391.db2.gz NIEYQXFFRLLBAD-UHFFFAOYSA-N 0 1 242.366 3.448 20 0 BGADMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000353678578 538755057 /nfs/dbraw/zinc/75/50/57/538755057.db2.gz DNSVSQVGJHRNQA-CHWSQXEVSA-N 0 1 243.354 3.438 20 0 BGADMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000353678582 538754806 /nfs/dbraw/zinc/75/48/06/538754806.db2.gz DNSVSQVGJHRNQA-OLZOCXBDSA-N 0 1 243.354 3.438 20 0 BGADMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000353678589 538754223 /nfs/dbraw/zinc/75/42/23/538754223.db2.gz DNSVSQVGJHRNQA-QWHCGFSZSA-N 0 1 243.354 3.438 20 0 BGADMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000353678592 538754614 /nfs/dbraw/zinc/75/46/14/538754614.db2.gz DNSVSQVGJHRNQA-STQMWFEESA-N 0 1 243.354 3.438 20 0 BGADMN Cc1ccnc([C@@H](C)N[C@H](C)CC(F)(F)F)c1 ZINC000353681716 387258361 /nfs/dbraw/zinc/25/83/61/387258361.db2.gz BGORXSMVWUVIHF-NXEZZACHSA-N 0 1 246.276 3.382 20 0 BGADMN Cc1ccnc([C@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000353681717 387258913 /nfs/dbraw/zinc/25/89/13/387258913.db2.gz BGORXSMVWUVIHF-UWVGGRQHSA-N 0 1 246.276 3.382 20 0 BGADMN Cc1ccnc([C@@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000353681718 188234705 /nfs/dbraw/zinc/23/47/05/188234705.db2.gz BGORXSMVWUVIHF-VHSXEESVSA-N 0 1 246.276 3.382 20 0 BGADMN Cc1ccnc([C@H](C)N[C@H](C)CC(F)(F)F)c1 ZINC000353681719 387258789 /nfs/dbraw/zinc/25/87/89/387258789.db2.gz BGORXSMVWUVIHF-ZJUUUORDSA-N 0 1 246.276 3.382 20 0 BGADMN CCn1cccc1CN(C)Cc1ccc(F)cc1 ZINC000353684943 172202294 /nfs/dbraw/zinc/20/22/94/172202294.db2.gz HTBLTPZUVWQLAC-UHFFFAOYSA-N 0 1 246.329 3.279 20 0 BGADMN COc1ccc(CN(C)C2CCC2)c(Cl)c1 ZINC000353685887 175094784 /nfs/dbraw/zinc/09/47/84/175094784.db2.gz VOJUDEWJHZAGMX-UHFFFAOYSA-N 0 1 239.746 3.333 20 0 BGADMN CCc1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000353686444 387257313 /nfs/dbraw/zinc/25/73/13/387257313.db2.gz XNYALVGZEHXSRD-UHFFFAOYSA-N 0 1 243.297 3.319 20 0 BGADMN CCn1cccc1CN(C)Cc1ccc(C)cc1 ZINC000353701315 172203420 /nfs/dbraw/zinc/20/34/20/172203420.db2.gz FUQCXTXDNPEBKQ-UHFFFAOYSA-N 0 1 242.366 3.448 20 0 BGADMN CCn1cccc1CN(C)Cc1cccc(C)c1 ZINC000353702395 172202669 /nfs/dbraw/zinc/20/26/69/172202669.db2.gz IOEPRZAMCNEDNL-UHFFFAOYSA-N 0 1 242.366 3.448 20 0 BGADMN CC[C@@]1(C)CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000353709881 171199528 /nfs/dbraw/zinc/19/95/28/171199528.db2.gz SOIQNYRQMMFOON-HNNXBMFYSA-N 0 1 233.355 3.404 20 0 BGADMN CC(C)[C@H]1N(Cc2cncc(F)c2)CC1(C)C ZINC000353743798 387268075 /nfs/dbraw/zinc/26/80/75/387268075.db2.gz CYNLEFBBKGBBRN-CYBMUJFWSA-N 0 1 236.334 3.087 20 0 BGADMN CC(C)[C@@H]1N(Cc2cncc(F)c2)CC1(C)C ZINC000353743799 387267064 /nfs/dbraw/zinc/26/70/64/387267064.db2.gz CYNLEFBBKGBBRN-ZDUSSCGKSA-N 0 1 236.334 3.087 20 0 BGADMN Cc1cccc(CN(C)Cc2ccccc2C)n1 ZINC000353747512 179067551 /nfs/dbraw/zinc/06/75/51/179067551.db2.gz MUKIITSQJRVEBN-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN Cc1csc(CN2CC(C)(C)[C@H]2C(C)C)n1 ZINC000353747572 387267079 /nfs/dbraw/zinc/26/70/79/387267079.db2.gz ONQQSYLSJDIJNJ-GFCCVEGCSA-N 0 1 238.400 3.318 20 0 BGADMN Cc1csc(CN2CC(C)(C)[C@@H]2C(C)C)n1 ZINC000353747573 387267227 /nfs/dbraw/zinc/26/72/27/387267227.db2.gz ONQQSYLSJDIJNJ-LBPRGKRZSA-N 0 1 238.400 3.318 20 0 BGADMN Cc1cccc(CN(C)Cc2cccc(C)n2)c1 ZINC000353748982 179066678 /nfs/dbraw/zinc/06/66/78/179066678.db2.gz QXMHWJLVXGRDCO-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN Cc1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000353749402 386865568 /nfs/dbraw/zinc/86/55/68/386865568.db2.gz SONWRSBROHAIET-UHFFFAOYSA-N 0 1 240.350 3.330 20 0 BGADMN Cc1ccc(CN(C)Cc2cccc(C)n2)s1 ZINC000353749634 386868576 /nfs/dbraw/zinc/86/85/76/386868576.db2.gz WFXLWMFYQBXBQA-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN CC(C)[C@@H]1N(Cc2ccnn2C(C)C)CC1(C)C ZINC000353751129 188235170 /nfs/dbraw/zinc/23/51/70/188235170.db2.gz ZZFHFMSKJHIJFW-AWEZNQCLSA-N 0 1 249.402 3.330 20 0 BGADMN CC(C)[C@H]1N(Cc2ccnn2C(C)C)CC1(C)C ZINC000353751131 387270992 /nfs/dbraw/zinc/27/09/92/387270992.db2.gz ZZFHFMSKJHIJFW-CQSZACIVSA-N 0 1 249.402 3.330 20 0 BGADMN Cc1ccsc1CN(C)Cc1cccc(C)n1 ZINC000353752285 179069087 /nfs/dbraw/zinc/06/90/87/179069087.db2.gz RWYDJRSZCUHGMD-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN Cc1cccc(CN(C)Cc2ccc(F)cc2)n1 ZINC000353757691 179067360 /nfs/dbraw/zinc/06/73/60/179067360.db2.gz ZIDUZJANISPAQU-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CC1CCC(CN(C)Cc2nccs2)CC1 ZINC000353782695 353354927 /nfs/dbraw/zinc/35/49/27/353354927.db2.gz VJOHZYWIJFVMIC-UHFFFAOYSA-N 0 1 238.400 3.401 20 0 BGADMN Cc1cccc(CN2CCOC3(CCCC3)C2)c1 ZINC000353790721 179079226 /nfs/dbraw/zinc/07/92/26/179079226.db2.gz DWNFWWQUENEDSE-UHFFFAOYSA-N 0 1 245.366 3.140 20 0 BGADMN CN(C/C=C\c1ccccc1)Cc1cccn1C ZINC000353791912 387274722 /nfs/dbraw/zinc/27/47/22/387274722.db2.gz GNYRJLUFEXLDFH-POHAHGRESA-N 0 1 240.350 3.170 20 0 BGADMN CCc1nc(CN(CC)C2CCC2)cs1 ZINC000353799264 353559965 /nfs/dbraw/zinc/55/99/65/353559965.db2.gz AHBQBPAYGLEIFW-UHFFFAOYSA-N 0 1 224.373 3.080 20 0 BGADMN CC[N@@H+](Cc1ccccc1OC)C1CCC1 ZINC000353799629 356719693 /nfs/dbraw/zinc/71/96/93/356719693.db2.gz AYLPQNISPVBMBW-UHFFFAOYSA-N 0 1 219.328 3.070 20 0 BGADMN CCN(Cc1cc(F)c(F)cc1F)C1CCC1 ZINC000353799728 356719397 /nfs/dbraw/zinc/71/93/97/356719397.db2.gz BWSLKFWFOYQGST-UHFFFAOYSA-N 0 1 243.272 3.478 20 0 BGADMN CC[N@@H+](Cc1cc(F)c(F)cc1F)C1CCC1 ZINC000353799728 356719395 /nfs/dbraw/zinc/71/93/95/356719395.db2.gz BWSLKFWFOYQGST-UHFFFAOYSA-N 0 1 243.272 3.478 20 0 BGADMN CC[N@@H+](Cc1cccc(OC)c1OC)C1CCC1 ZINC000353799783 356719304 /nfs/dbraw/zinc/71/93/04/356719304.db2.gz AHABXWYTSINGHE-UHFFFAOYSA-N 0 1 249.354 3.078 20 0 BGADMN CN(Cc1ccon1)CC1CCCCCC1 ZINC000353800516 387276743 /nfs/dbraw/zinc/27/67/43/387276743.db2.gz CRRHCBFEXZPFOH-UHFFFAOYSA-N 0 1 222.332 3.077 20 0 BGADMN CC[C@H](CN(C)Cc1ccon1)c1ccccc1 ZINC000353815770 387279034 /nfs/dbraw/zinc/27/90/34/387279034.db2.gz LJUJOVMJTZHDOF-CYBMUJFWSA-N 0 1 244.338 3.300 20 0 BGADMN CC[C@@H](CN(C)Cc1ccon1)c1ccccc1 ZINC000353815771 387280032 /nfs/dbraw/zinc/28/00/32/387280032.db2.gz LJUJOVMJTZHDOF-ZDUSSCGKSA-N 0 1 244.338 3.300 20 0 BGADMN CN(Cc1ccon1)CC1CCC(C)(C)CC1 ZINC000353818408 387279389 /nfs/dbraw/zinc/27/93/89/387279389.db2.gz HCKSHXPZVMKFCX-UHFFFAOYSA-N 0 1 236.359 3.323 20 0 BGADMN CCC1CCC(N(C)Cc2ccon2)CC1 ZINC000353826419 387281423 /nfs/dbraw/zinc/28/14/23/387281423.db2.gz PDGSMDYQOCVCDZ-UHFFFAOYSA-N 0 1 222.332 3.075 20 0 BGADMN Cc1ccc(CN2CC=C(C)CC2)cc1F ZINC000353849379 168114882 /nfs/dbraw/zinc/11/48/82/168114882.db2.gz XXGWLUQWQFSULS-UHFFFAOYSA-N 0 1 219.303 3.286 20 0 BGADMN CC1=CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000353854934 168115893 /nfs/dbraw/zinc/11/58/93/168115893.db2.gz LXDZZPSNSNPSPX-UHFFFAOYSA-N 0 1 236.384 3.419 20 0 BGADMN Cc1ccc(F)c(CN2CC=C(C)CC2)c1 ZINC000353860586 168116058 /nfs/dbraw/zinc/11/60/58/168116058.db2.gz XZFRFJHHFRGVNL-UHFFFAOYSA-N 0 1 219.303 3.286 20 0 BGADMN C[C@H]1CN(Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353877072 354800321 /nfs/dbraw/zinc/80/03/21/354800321.db2.gz BOLMTSDLCOIOOS-DTORHVGOSA-N 0 1 243.272 3.192 20 0 BGADMN C[C@H]1CN(Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353877074 354800250 /nfs/dbraw/zinc/80/02/50/354800250.db2.gz BOLMTSDLCOIOOS-IUCAKERBSA-N 0 1 243.272 3.192 20 0 BGADMN C[C@@H]1CN(Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353877081 354800504 /nfs/dbraw/zinc/80/05/04/354800504.db2.gz BOLMTSDLCOIOOS-RKDXNWHRSA-N 0 1 243.272 3.192 20 0 BGADMN Cc1ccsc1CN1CCOC(C)(C)[C@H]1C ZINC000353883497 387288864 /nfs/dbraw/zinc/28/88/64/387288864.db2.gz UQWWZGIXBQWSQL-LLVKDONJSA-N 0 1 239.384 3.056 20 0 BGADMN Cc1ccsc1CN1CCOC(C)(C)[C@@H]1C ZINC000353883499 387289927 /nfs/dbraw/zinc/28/99/27/387289927.db2.gz UQWWZGIXBQWSQL-NSHDSACASA-N 0 1 239.384 3.056 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)C[C@H]1C ZINC000353883855 176303298 /nfs/dbraw/zinc/30/32/98/176303298.db2.gz VOGKIHLALONVKG-NXEZZACHSA-N 0 1 227.735 3.411 20 0 BGADMN C[C@H]1CN(Cc2ccc(Cl)o2)CC[C@@H]1C ZINC000353883856 177163246 /nfs/dbraw/zinc/16/32/46/177163246.db2.gz VOGKIHLALONVKG-UWVGGRQHSA-N 0 1 227.735 3.411 20 0 BGADMN C[C@H]1CCN(Cc2ccc(Cl)o2)C[C@H]1C ZINC000353883857 177163765 /nfs/dbraw/zinc/16/37/65/177163765.db2.gz VOGKIHLALONVKG-VHSXEESVSA-N 0 1 227.735 3.411 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353883858 176174613 /nfs/dbraw/zinc/17/46/13/176174613.db2.gz VOGKIHLALONVKG-ZJUUUORDSA-N 0 1 227.735 3.411 20 0 BGADMN Cc1cc(C)c(CN2CCO[C@@H](C)[C@H]2C)cc1C ZINC000353893785 387292329 /nfs/dbraw/zinc/29/23/29/387292329.db2.gz BMHCGWMZWTYKEA-CABCVRRESA-N 0 1 247.382 3.221 20 0 BGADMN Cc1cc(C)c(CN2CCO[C@@H](C)[C@@H]2C)cc1C ZINC000353893796 387292577 /nfs/dbraw/zinc/29/25/77/387292577.db2.gz BMHCGWMZWTYKEA-GJZGRUSLSA-N 0 1 247.382 3.221 20 0 BGADMN Cc1cc(C)c(CN2CCO[C@H](C)[C@H]2C)cc1C ZINC000353893801 387293130 /nfs/dbraw/zinc/29/31/30/387293130.db2.gz BMHCGWMZWTYKEA-HUUCEWRRSA-N 0 1 247.382 3.221 20 0 BGADMN Cc1cc(C)c(CN2CCO[C@H](C)[C@@H]2C)cc1C ZINC000353893810 387292351 /nfs/dbraw/zinc/29/23/51/387292351.db2.gz BMHCGWMZWTYKEA-LSDHHAIUSA-N 0 1 247.382 3.221 20 0 BGADMN Cn1ccnc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000353896080 355139139 /nfs/dbraw/zinc/13/91/39/355139139.db2.gz DTXPZCRYELVUKO-CYBMUJFWSA-N 0 1 249.402 3.068 20 0 BGADMN Cn1ccnc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000353896082 355138858 /nfs/dbraw/zinc/13/88/58/355138858.db2.gz DTXPZCRYELVUKO-ZDUSSCGKSA-N 0 1 249.402 3.068 20 0 BGADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cccc(O)c2)C1 ZINC000353896684 176114421 /nfs/dbraw/zinc/11/44/21/176114421.db2.gz HLKKNNWUAHRIGE-CHWSQXEVSA-N 0 1 233.355 3.403 20 0 BGADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2cccc(O)c2)C1 ZINC000353896702 177130228 /nfs/dbraw/zinc/13/02/28/177130228.db2.gz HLKKNNWUAHRIGE-STQMWFEESA-N 0 1 233.355 3.403 20 0 BGADMN CCn1nccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000353902475 535867171 /nfs/dbraw/zinc/86/71/71/535867171.db2.gz TVSQPHINBZQKLL-DZGCQCFKSA-N 0 1 247.386 3.058 20 0 BGADMN CCn1nccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000353902477 386327629 /nfs/dbraw/zinc/32/76/29/386327629.db2.gz TVSQPHINBZQKLL-HIFRSBDPSA-N 0 1 247.386 3.058 20 0 BGADMN CCn1nccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000353902486 386327369 /nfs/dbraw/zinc/32/73/69/386327369.db2.gz TVSQPHINBZQKLL-ZFWWWQNUSA-N 0 1 247.386 3.058 20 0 BGADMN CCn1nccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000353902486 386327363 /nfs/dbraw/zinc/32/73/63/386327363.db2.gz TVSQPHINBZQKLL-ZFWWWQNUSA-N 0 1 247.386 3.058 20 0 BGADMN CC(C)c1nc(CN2C[C@@H](C)[C@H](C)C2)cs1 ZINC000353903414 387288338 /nfs/dbraw/zinc/28/83/38/387288338.db2.gz WLMABJKCCXZVOG-GHMZBOCLSA-N 0 1 238.400 3.354 20 0 BGADMN CC(C)c1nc(CN2C[C@H](C)[C@H](C)C2)cs1 ZINC000353903417 387286767 /nfs/dbraw/zinc/28/67/67/387286767.db2.gz WLMABJKCCXZVOG-PHIMTYICSA-N 0 1 238.400 3.354 20 0 BGADMN CC(C)c1nc(CN2C[C@H](C)[C@@H](C)C2)cs1 ZINC000353903422 387287090 /nfs/dbraw/zinc/28/70/90/387287090.db2.gz WLMABJKCCXZVOG-QWRGUYRKSA-N 0 1 238.400 3.354 20 0 BGADMN Cc1ccc(CN2CCOC(C)(C)[C@H]2C)s1 ZINC000353919849 387299212 /nfs/dbraw/zinc/29/92/12/387299212.db2.gz KJAXPXWPLQQDQD-LLVKDONJSA-N 0 1 239.384 3.056 20 0 BGADMN Cc1ccc(CN2CCOC(C)(C)[C@@H]2C)s1 ZINC000353919850 387298334 /nfs/dbraw/zinc/29/83/34/387298334.db2.gz KJAXPXWPLQQDQD-NSHDSACASA-N 0 1 239.384 3.056 20 0 BGADMN C[C@H]1CN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353920246 176301866 /nfs/dbraw/zinc/30/18/66/176301866.db2.gz LYZNMHJTFPEARQ-DTORHVGOSA-N 0 1 243.272 3.192 20 0 BGADMN C[C@H]1CN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353920247 136063060 /nfs/dbraw/zinc/06/30/60/136063060.db2.gz LYZNMHJTFPEARQ-IUCAKERBSA-N 0 1 243.272 3.192 20 0 BGADMN C[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353920248 136062728 /nfs/dbraw/zinc/06/27/28/136062728.db2.gz LYZNMHJTFPEARQ-RKDXNWHRSA-N 0 1 243.272 3.192 20 0 BGADMN CC[C@H]1C[N@@H+](Cc2ccccc2C)CCS1 ZINC000353921909 387299349 /nfs/dbraw/zinc/29/93/49/387299349.db2.gz OHFJEGAGEFYZNU-AWEZNQCLSA-N 0 1 235.396 3.322 20 0 BGADMN CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCS1 ZINC000353927237 136096777 /nfs/dbraw/zinc/09/67/77/136096777.db2.gz UROQGTHTUSGOPZ-AWEZNQCLSA-N 0 1 235.396 3.260 20 0 BGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCS1 ZINC000353927240 136096479 /nfs/dbraw/zinc/09/64/79/136096479.db2.gz UROQGTHTUSGOPZ-CQSZACIVSA-N 0 1 235.396 3.260 20 0 BGADMN CCC1CC(N[C@@H](C)c2c(F)cncc2F)C1 ZINC000353935856 387302716 /nfs/dbraw/zinc/30/27/16/387302716.db2.gz XFWOXZQXQPXLNO-IDKOKCKLSA-N 0 1 240.297 3.199 20 0 BGADMN CCC1CC(N[C@H](C)c2c(F)cncc2F)C1 ZINC000353935857 387302310 /nfs/dbraw/zinc/30/23/10/387302310.db2.gz XFWOXZQXQPXLNO-XNWIYYODSA-N 0 1 240.297 3.199 20 0 BGADMN CC(C)n1ccnc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000354000415 387309633 /nfs/dbraw/zinc/30/96/33/387309633.db2.gz BRHZLNBWQCZSHZ-CYBMUJFWSA-N 0 1 249.402 3.332 20 0 BGADMN CC(C)n1ccnc1CN1CC[C@H](C)C(C)(C)C1 ZINC000354000416 355830746 /nfs/dbraw/zinc/83/07/46/355830746.db2.gz BRHZLNBWQCZSHZ-ZDUSSCGKSA-N 0 1 249.402 3.332 20 0 BGADMN Cc1csc(CN2CC[C@H](C)C(C)(C)C2)n1 ZINC000354001757 387309605 /nfs/dbraw/zinc/30/96/05/387309605.db2.gz JZHDLLYRJVPLNA-JTQLQIEISA-N 0 1 238.400 3.320 20 0 BGADMN 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Cc1nc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cs1 ZINC000354003739 387308540 /nfs/dbraw/zinc/30/85/40/387308540.db2.gz VDRKFXPRPSHBQW-SNVBAGLBSA-N 0 1 238.400 3.320 20 0 BGADMN CC(C)n1ccc(CN2CC[C@@H](C)C(C)(C)C2)n1 ZINC000354015479 387310663 /nfs/dbraw/zinc/31/06/63/387310663.db2.gz SYWHBVBXZJHLLO-CYBMUJFWSA-N 0 1 249.402 3.332 20 0 BGADMN CC(C)n1ccc(CN2CC[C@H](C)C(C)(C)C2)n1 ZINC000354015480 387310806 /nfs/dbraw/zinc/31/08/06/387310806.db2.gz SYWHBVBXZJHLLO-ZDUSSCGKSA-N 0 1 249.402 3.332 20 0 BGADMN CCOc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000354025388 387313909 /nfs/dbraw/zinc/31/39/09/387313909.db2.gz CRCWHQFDNVWFIW-UHFFFAOYSA-N 0 1 244.338 3.045 20 0 BGADMN CN(C/C=C\c1ccc(F)cc1)Cc1ccc[nH]1 ZINC000354025422 387314192 /nfs/dbraw/zinc/31/41/92/387314192.db2.gz DFRHQPCURPXRKU-ARJAWSKDSA-N 0 1 244.313 3.299 20 0 BGADMN CN(C/C=C/c1ccc(F)cc1)Cc1ccc[nH]1 ZINC000354025423 387313697 /nfs/dbraw/zinc/31/36/97/387313697.db2.gz DFRHQPCURPXRKU-ONEGZZNKSA-N 0 1 244.313 3.299 20 0 BGADMN Cc1cc(F)ccc1CN(C)Cc1ccc[nH]1 ZINC000354026312 178085428 /nfs/dbraw/zinc/08/54/28/178085428.db2.gz QYNCMPSJNXLPNX-UHFFFAOYSA-N 0 1 232.302 3.094 20 0 BGADMN CCOc1cccc(CN(C)Cc2ccc[nH]2)c1 ZINC000354026363 387314624 /nfs/dbraw/zinc/31/46/24/387314624.db2.gz SAWLHBUGMOTTBM-UHFFFAOYSA-N 0 1 244.338 3.045 20 0 BGADMN Cc1cnc(CN2CC[C@H](C)C(C)(C)C2)s1 ZINC000354031251 387315801 /nfs/dbraw/zinc/31/58/01/387315801.db2.gz FRYDZXBWDWKKKD-JTQLQIEISA-N 0 1 238.400 3.320 20 0 BGADMN Cc1cnc(CN2CC[C@@H](C)C(C)(C)C2)s1 ZINC000354031252 387315366 /nfs/dbraw/zinc/31/53/66/387315366.db2.gz FRYDZXBWDWKKKD-SNVBAGLBSA-N 0 1 238.400 3.320 20 0 BGADMN CN(Cc1ccc[nH]1)Cc1coc2ccccc12 ZINC000354033251 387318854 /nfs/dbraw/zinc/31/88/54/387318854.db2.gz JXNVTNIQMQFBHJ-UHFFFAOYSA-N 0 1 240.306 3.393 20 0 BGADMN CCc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000354033371 398046337 /nfs/dbraw/zinc/04/63/37/398046337.db2.gz KVLVNRZNFJCTDN-UHFFFAOYSA-N 0 1 228.339 3.209 20 0 BGADMN Cc1ccc(CN(C)Cc2ccc[nH]2)cc1F ZINC000354033763 387317486 /nfs/dbraw/zinc/31/74/86/387317486.db2.gz NJTJSTQVNJBKRH-UHFFFAOYSA-N 0 1 232.302 3.094 20 0 BGADMN CSc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000354044020 387320354 /nfs/dbraw/zinc/32/03/54/387320354.db2.gz DMUMKVVRMDFDAV-UHFFFAOYSA-N 0 1 246.379 3.369 20 0 BGADMN Cc1ccsc1CN(C)Cc1ccc[nH]1 ZINC000354044080 387320377 /nfs/dbraw/zinc/32/03/77/387320377.db2.gz FFXSVZPZJFBENS-UHFFFAOYSA-N 0 1 220.341 3.017 20 0 BGADMN CN(C/C=C/c1ccccc1)Cc1ccc[nH]1 ZINC000354044268 387320451 /nfs/dbraw/zinc/32/04/51/387320451.db2.gz HNZGPQONCHSTPE-RMKNXTFCSA-N 0 1 226.323 3.160 20 0 BGADMN CN(C/C=C\c1ccccc1)Cc1ccc[nH]1 ZINC000354044269 387320408 /nfs/dbraw/zinc/32/04/08/387320408.db2.gz HNZGPQONCHSTPE-TWGQIWQCSA-N 0 1 226.323 3.160 20 0 BGADMN Cc1cc(CN(C)Cc2ccc[nH]2)ccc1F ZINC000354045539 387320025 /nfs/dbraw/zinc/32/00/25/387320025.db2.gz VOPBYTCKBKSMRP-UHFFFAOYSA-N 0 1 232.302 3.094 20 0 BGADMN CC[C@@]1(C)CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000354078356 171202938 /nfs/dbraw/zinc/20/29/38/171202938.db2.gz QFLZWLFKEJONBN-HNNXBMFYSA-N 0 1 243.354 3.185 20 0 BGADMN CC[C@]1(C)CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000354078357 387326690 /nfs/dbraw/zinc/32/66/90/387326690.db2.gz QFLZWLFKEJONBN-OAHLLOKOSA-N 0 1 243.354 3.185 20 0 BGADMN CCc1nc(CN2CC[C@@](C)(CC)C2)cs1 ZINC000354080762 356730132 /nfs/dbraw/zinc/73/01/32/356730132.db2.gz CGEGSHKMIPHBST-CYBMUJFWSA-N 0 1 238.400 3.328 20 0 BGADMN CCc1nc(CN2CC[C@](C)(CC)C2)cs1 ZINC000354080763 356730054 /nfs/dbraw/zinc/73/00/54/356730054.db2.gz CGEGSHKMIPHBST-ZDUSSCGKSA-N 0 1 238.400 3.328 20 0 BGADMN CCN(Cc1cccs1)Cc1cccc(C)n1 ZINC000354120827 356730738 /nfs/dbraw/zinc/73/07/38/356730738.db2.gz PKNSYXRTCSKWDQ-UHFFFAOYSA-N 0 1 246.379 3.474 20 0 BGADMN CN(Cc1ccsc1)Cc1ccc(O)cc1 ZINC000354132319 387333680 /nfs/dbraw/zinc/33/36/80/387333680.db2.gz RKBUVTQUWNNCBX-UHFFFAOYSA-N 0 1 233.336 3.086 20 0 BGADMN Cc1nccc(N2CC[C@@H](C)[C@H]2C)c1Cl ZINC000354143001 180193907 /nfs/dbraw/zinc/19/39/07/180193907.db2.gz KGSWTFBPHDROCF-PSASIEDQSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2CC[C@@H](C)[C@@H]2C)c1Cl ZINC000354143002 180195273 /nfs/dbraw/zinc/19/52/73/180195273.db2.gz KGSWTFBPHDROCF-SCZZXKLOSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2CC[C@H](C)[C@H]2C)c1Cl ZINC000354143003 180195280 /nfs/dbraw/zinc/19/52/80/180195280.db2.gz KGSWTFBPHDROCF-WCBMZHEXSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2CC[C@H](C)[C@@H]2C)c1Cl ZINC000354143004 180194630 /nfs/dbraw/zinc/19/46/30/180194630.db2.gz KGSWTFBPHDROCF-WPRPVWTQSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2CCC3(CCC3)C2)c1Cl ZINC000354155527 188235880 /nfs/dbraw/zinc/23/58/80/188235880.db2.gz NNUTVKNFFIVPDZ-UHFFFAOYSA-N 0 1 236.746 3.424 20 0 BGADMN Cc1nccc(N2[C@H](C)CC[C@@H]2C)c1Cl ZINC000354155805 180194922 /nfs/dbraw/zinc/19/49/22/180194922.db2.gz RDODFGWZZHNEOH-DTORHVGOSA-N 0 1 224.735 3.421 20 0 BGADMN Cc1nccc(N2[C@@H](C)CC[C@@H]2C)c1Cl ZINC000354155806 180195528 /nfs/dbraw/zinc/19/55/28/180195528.db2.gz RDODFGWZZHNEOH-IUCAKERBSA-N 0 1 224.735 3.421 20 0 BGADMN Cc1nccc(N2[C@H](C)CC[C@H]2C)c1Cl ZINC000354155807 180194947 /nfs/dbraw/zinc/19/49/47/180194947.db2.gz RDODFGWZZHNEOH-RKDXNWHRSA-N 0 1 224.735 3.421 20 0 BGADMN CC[C@H]1CCN(c2ccnc(C)c2Cl)C1 ZINC000354163059 171633611 /nfs/dbraw/zinc/63/36/11/171633611.db2.gz LHNXLXLPNYCVMF-JTQLQIEISA-N 0 1 224.735 3.280 20 0 BGADMN CC[C@@H]1CCN(c2ccnc(C)c2Cl)C1 ZINC000354163061 171014376 /nfs/dbraw/zinc/01/43/76/171014376.db2.gz LHNXLXLPNYCVMF-SNVBAGLBSA-N 0 1 224.735 3.280 20 0 BGADMN CCc1cccc(F)c1CNCc1cccnc1 ZINC000354167019 387340150 /nfs/dbraw/zinc/34/01/50/387340150.db2.gz VZVLLSUVEBWDBP-UHFFFAOYSA-N 0 1 244.313 3.073 20 0 BGADMN Cc1ccc(-c2nc3ccc(F)cc3[nH]2)nc1 ZINC000354259023 178337408 /nfs/dbraw/zinc/33/74/08/178337408.db2.gz DFNZVXDXGWHNMU-UHFFFAOYSA-N 0 1 227.242 3.072 20 0 BGADMN C[C@@H]1C[C@@H]1CN(C)Cc1c(F)cccc1F ZINC000354355729 176391785 /nfs/dbraw/zinc/39/17/85/176391785.db2.gz KOHRMIXZRIDOMW-NXEZZACHSA-N 0 1 225.282 3.053 20 0 BGADMN C[C@H]1C[C@H]1CN(C)Cc1c(F)cccc1F ZINC000354355730 177379620 /nfs/dbraw/zinc/37/96/20/177379620.db2.gz KOHRMIXZRIDOMW-UWVGGRQHSA-N 0 1 225.282 3.053 20 0 BGADMN C[C@H]1C[C@@H]1CN(C)Cc1c(F)cccc1F ZINC000354355731 177342099 /nfs/dbraw/zinc/34/20/99/177342099.db2.gz KOHRMIXZRIDOMW-VHSXEESVSA-N 0 1 225.282 3.053 20 0 BGADMN C[C@@H]1C[C@H]1CN(C)Cc1c(F)cccc1F ZINC000354355732 387364792 /nfs/dbraw/zinc/36/47/92/387364792.db2.gz KOHRMIXZRIDOMW-ZJUUUORDSA-N 0 1 225.282 3.053 20 0 BGADMN CCC[C@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000354480878 387383910 /nfs/dbraw/zinc/38/39/10/387383910.db2.gz XFAFCCYFSYKHRC-JTQLQIEISA-N 0 1 245.326 3.328 20 0 BGADMN CCC[C@@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000354480880 169356828 /nfs/dbraw/zinc/35/68/28/169356828.db2.gz XFAFCCYFSYKHRC-SNVBAGLBSA-N 0 1 245.326 3.328 20 0 BGADMN CCc1cccc(F)c1CNCc1ccn(C)c1 ZINC000354489242 397949387 /nfs/dbraw/zinc/94/93/87/397949387.db2.gz FZPMSZXQNOZETE-UHFFFAOYSA-N 0 1 246.329 3.016 20 0 BGADMN Cc1ccc2nc(C[NH2+][C@H](C)C3CCC3)[nH]c2c1 ZINC000354491130 387382860 /nfs/dbraw/zinc/38/28/60/387382860.db2.gz CVUZMBLVTXXIDL-LLVKDONJSA-N 0 1 243.354 3.150 20 0 BGADMN Cc1ccc2nc(C[NH2+][C@@H](C)C3CCC3)[nH]c2c1 ZINC000354491133 387383248 /nfs/dbraw/zinc/38/32/48/387383248.db2.gz CVUZMBLVTXXIDL-NSHDSACASA-N 0 1 243.354 3.150 20 0 BGADMN FC[C@H]1CCCN1Cc1coc2ccccc12 ZINC000354523785 387390551 /nfs/dbraw/zinc/39/05/51/387390551.db2.gz VIZYEFHMFKJZMI-GFCCVEGCSA-N 0 1 233.286 3.367 20 0 BGADMN FC[C@@H]1CCCN1Cc1coc2ccccc12 ZINC000354523791 387389908 /nfs/dbraw/zinc/38/99/08/387389908.db2.gz VIZYEFHMFKJZMI-LBPRGKRZSA-N 0 1 233.286 3.367 20 0 BGADMN c1nc(NC2CCCCC2)cc2c1CCC2 ZINC000354532734 387391717 /nfs/dbraw/zinc/39/17/17/387391717.db2.gz CKYYAOXCDXSSSR-UHFFFAOYSA-N 0 1 216.328 3.315 20 0 BGADMN COC[C@H](CC(C)C)Nc1cc2c(cn1)CCC2 ZINC000354533351 397990095 /nfs/dbraw/zinc/99/00/95/397990095.db2.gz DQQXLXMQIWYUMT-AWEZNQCLSA-N 0 1 248.370 3.043 20 0 BGADMN COC[C@@H](CC(C)C)Nc1cc2c(cn1)CCC2 ZINC000354533352 397990082 /nfs/dbraw/zinc/99/00/82/397990082.db2.gz DQQXLXMQIWYUMT-CQSZACIVSA-N 0 1 248.370 3.043 20 0 BGADMN C[C@@H]1C[C@H](Nc2cc3c(cn2)CCC3)[C@@H]1C ZINC000354534948 176427199 /nfs/dbraw/zinc/42/71/99/176427199.db2.gz GUYXMRVKRSEJMF-BREBYQMCSA-N 0 1 216.328 3.027 20 0 BGADMN C[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)[C@H]1C ZINC000354534949 387391486 /nfs/dbraw/zinc/39/14/86/387391486.db2.gz GUYXMRVKRSEJMF-GBIKHYSHSA-N 0 1 216.328 3.027 20 0 BGADMN C[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)[C@@H]1C ZINC000354534950 176380777 /nfs/dbraw/zinc/38/07/77/176380777.db2.gz GUYXMRVKRSEJMF-GIPNMCIBSA-N 0 1 216.328 3.027 20 0 BGADMN C[C@@H]1C[C@H](Nc2cc3c(cn2)CCC3)[C@H]1C ZINC000354534951 176497352 /nfs/dbraw/zinc/49/73/52/176497352.db2.gz GUYXMRVKRSEJMF-NRUUGDAUSA-N 0 1 216.328 3.027 20 0 BGADMN CC[C@H]1CC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000354535661 387392541 /nfs/dbraw/zinc/39/25/41/387392541.db2.gz ICQLSFDFGLCLKW-GWCFXTLKSA-N 0 1 216.328 3.171 20 0 BGADMN CC[C@H]1CC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000354535662 387391983 /nfs/dbraw/zinc/39/19/83/387391983.db2.gz ICQLSFDFGLCLKW-GXFFZTMASA-N 0 1 216.328 3.171 20 0 BGADMN CC[C@@H]1CC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000354535663 171045416 /nfs/dbraw/zinc/04/54/16/171045416.db2.gz ICQLSFDFGLCLKW-MFKMUULPSA-N 0 1 216.328 3.171 20 0 BGADMN CC[C@@H]1CC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000354535664 171060201 /nfs/dbraw/zinc/06/02/01/171060201.db2.gz ICQLSFDFGLCLKW-ZWNOBZJWSA-N 0 1 216.328 3.171 20 0 BGADMN CC[C@@H](Nc1cc2c(cn1)CCC2)C(C)C ZINC000354536515 356739956 /nfs/dbraw/zinc/73/99/56/356739956.db2.gz JDUFGYOKRXWAMM-CYBMUJFWSA-N 0 1 218.344 3.417 20 0 BGADMN CC[C@H](Nc1cc2c(cn1)CCC2)C(C)C ZINC000354536517 387392297 /nfs/dbraw/zinc/39/22/97/387392297.db2.gz JDUFGYOKRXWAMM-ZDUSSCGKSA-N 0 1 218.344 3.417 20 0 BGADMN C[C@H]1CCC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000354536572 177126570 /nfs/dbraw/zinc/12/65/70/177126570.db2.gz JMHKSESQGOHLDI-GWCFXTLKSA-N 0 1 216.328 3.171 20 0 BGADMN C[C@H]1CCC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000354536575 177143067 /nfs/dbraw/zinc/14/30/67/177143067.db2.gz JMHKSESQGOHLDI-GXFFZTMASA-N 0 1 216.328 3.171 20 0 BGADMN C[C@@H]1CCC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000354536576 176132511 /nfs/dbraw/zinc/13/25/11/176132511.db2.gz JMHKSESQGOHLDI-MFKMUULPSA-N 0 1 216.328 3.171 20 0 BGADMN C[C@@H]1CCC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000354536577 176151551 /nfs/dbraw/zinc/15/15/51/176151551.db2.gz JMHKSESQGOHLDI-ZWNOBZJWSA-N 0 1 216.328 3.171 20 0 BGADMN CCCC[C@@H](COC)Nc1cc2c(cn1)CCC2 ZINC000354537406 356740126 /nfs/dbraw/zinc/74/01/26/356740126.db2.gz KZZIGVWIEDBQPA-AWEZNQCLSA-N 0 1 248.370 3.187 20 0 BGADMN CCCC[C@H](COC)Nc1cc2c(cn1)CCC2 ZINC000354537407 169004327 /nfs/dbraw/zinc/00/43/27/169004327.db2.gz KZZIGVWIEDBQPA-CQSZACIVSA-N 0 1 248.370 3.187 20 0 BGADMN CC(C)[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000354539111 387392092 /nfs/dbraw/zinc/39/20/92/387392092.db2.gz MKTFMWOJYWZJKR-JTQLQIEISA-N 0 1 204.317 3.027 20 0 BGADMN CC(C)[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000354539112 167385561 /nfs/dbraw/zinc/38/55/61/167385561.db2.gz MKTFMWOJYWZJKR-SNVBAGLBSA-N 0 1 204.317 3.027 20 0 BGADMN CC1(C)CC(Nc2cc3c(cn2)CCC3)C1 ZINC000354539518 387391359 /nfs/dbraw/zinc/39/13/59/387391359.db2.gz NGSKIIZCTUKDPC-UHFFFAOYSA-N 0 1 216.328 3.171 20 0 BGADMN C[C@H](Nc1cc2c(cn1)CCC2)C1CCC1 ZINC000354542447 387392485 /nfs/dbraw/zinc/39/24/85/387392485.db2.gz PJWMWWAASDBSCX-JTQLQIEISA-N 0 1 216.328 3.171 20 0 BGADMN C[C@@H](Nc1cc2c(cn1)CCC2)C1CCC1 ZINC000354542456 387392328 /nfs/dbraw/zinc/39/23/28/387392328.db2.gz PJWMWWAASDBSCX-SNVBAGLBSA-N 0 1 216.328 3.171 20 0 BGADMN CCC1CC(Nc2cc3c(cn2)CCC3)C1 ZINC000354543845 385644826 /nfs/dbraw/zinc/64/48/26/385644826.db2.gz PVUVBNOAVOLYCH-UHFFFAOYSA-N 0 1 216.328 3.171 20 0 BGADMN C[C@H]1CC[C@H](Nc2cc3c(cn2)CCC3)C1 ZINC000354543957 177205474 /nfs/dbraw/zinc/20/54/74/177205474.db2.gz QHPUQEIIBKBTIV-GWCFXTLKSA-N 0 1 216.328 3.171 20 0 BGADMN C[C@H]1CC[C@@H](Nc2cc3c(cn2)CCC3)C1 ZINC000354543958 177194441 /nfs/dbraw/zinc/19/44/41/177194441.db2.gz QHPUQEIIBKBTIV-GXFFZTMASA-N 0 1 216.328 3.171 20 0 BGADMN C[C@@H]1CC[C@H](Nc2cc3c(cn2)CCC3)C1 ZINC000354543964 176235088 /nfs/dbraw/zinc/23/50/88/176235088.db2.gz QHPUQEIIBKBTIV-MFKMUULPSA-N 0 1 216.328 3.171 20 0 BGADMN C[C@@H]1CC[C@@H](Nc2cc3c(cn2)CCC3)C1 ZINC000354543969 176214490 /nfs/dbraw/zinc/21/44/90/176214490.db2.gz QHPUQEIIBKBTIV-ZWNOBZJWSA-N 0 1 216.328 3.171 20 0 BGADMN CC[C@@H](C)[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000354548544 387393443 /nfs/dbraw/zinc/39/34/43/387393443.db2.gz VMFDEIHWSZWHHF-GHMZBOCLSA-N 0 1 218.344 3.417 20 0 BGADMN CC[C@@H](C)[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000354548548 387394289 /nfs/dbraw/zinc/39/42/89/387394289.db2.gz VMFDEIHWSZWHHF-MNOVXSKESA-N 0 1 218.344 3.417 20 0 BGADMN CC[C@H](C)[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000354548553 171391295 /nfs/dbraw/zinc/39/12/95/171391295.db2.gz VMFDEIHWSZWHHF-QWRGUYRKSA-N 0 1 218.344 3.417 20 0 BGADMN CC[C@H](C)[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000354548557 171367679 /nfs/dbraw/zinc/36/76/79/171367679.db2.gz VMFDEIHWSZWHHF-WDEREUQCSA-N 0 1 218.344 3.417 20 0 BGADMN c1nc(N[C@H]2CC[C@H]2C2CC2)cc2c1CCC2 ZINC000354550004 386824868 /nfs/dbraw/zinc/82/48/68/386824868.db2.gz YAPVWYYPCYFVQN-KBPBESRZSA-N 0 1 228.339 3.171 20 0 BGADMN c1nc(N[C@H]2CC[C@@H]2C2CC2)cc2c1CCC2 ZINC000354550005 386824744 /nfs/dbraw/zinc/82/47/44/386824744.db2.gz YAPVWYYPCYFVQN-KGLIPLIRSA-N 0 1 228.339 3.171 20 0 BGADMN c1nc(N[C@@H]2CC[C@H]2C2CC2)cc2c1CCC2 ZINC000354550006 386824621 /nfs/dbraw/zinc/82/46/21/386824621.db2.gz YAPVWYYPCYFVQN-UONOGXRCSA-N 0 1 228.339 3.171 20 0 BGADMN c1nc(N[C@@H]2CC[C@@H]2C2CC2)cc2c1CCC2 ZINC000354550007 386826051 /nfs/dbraw/zinc/82/60/51/386826051.db2.gz YAPVWYYPCYFVQN-ZIAGYGMSSA-N 0 1 228.339 3.171 20 0 BGADMN CSC1(CNc2cc3c(cn2)CCC3)CCC1 ZINC000354550015 387393540 /nfs/dbraw/zinc/39/35/40/387393540.db2.gz YBXZSKPXHFJIBU-UHFFFAOYSA-N 0 1 248.395 3.268 20 0 BGADMN C[C@@H](CC1CC1)Nc1cc2c(cn1)CCC2 ZINC000354550831 387393949 /nfs/dbraw/zinc/39/39/49/387393949.db2.gz YTVYMDQUYNOTFU-JTQLQIEISA-N 0 1 216.328 3.171 20 0 BGADMN C[C@H](CC1CC1)Nc1cc2c(cn1)CCC2 ZINC000354550833 387394588 /nfs/dbraw/zinc/39/45/88/387394588.db2.gz YTVYMDQUYNOTFU-SNVBAGLBSA-N 0 1 216.328 3.171 20 0 BGADMN CCC(CC)Nc1cc2c(cn1)CCC2 ZINC000354551000 168394301 /nfs/dbraw/zinc/39/43/01/168394301.db2.gz ZFRWJDQQRGNNPE-UHFFFAOYSA-N 0 1 204.317 3.171 20 0 BGADMN CO[C@@H](C)CCNc1ccnc2cc(F)ccc21 ZINC000354681005 174691141 /nfs/dbraw/zinc/69/11/41/174691141.db2.gz YHMWDYJUTRKTRZ-JTQLQIEISA-N 0 1 248.301 3.211 20 0 BGADMN CO[C@H](C)CCNc1ccnc2cc(F)ccc21 ZINC000354681007 387415401 /nfs/dbraw/zinc/41/54/01/387415401.db2.gz YHMWDYJUTRKTRZ-SNVBAGLBSA-N 0 1 248.301 3.211 20 0 BGADMN Cc1cccc(NC[C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000354804404 179148797 /nfs/dbraw/zinc/14/87/97/179148797.db2.gz GRXLXXDDGZONBP-CABCVRRESA-N 0 1 246.354 3.007 20 0 BGADMN Cc1cccc(NC[C@]2(C)CCO[C@H]2C2CC2)n1 ZINC000354804405 179149390 /nfs/dbraw/zinc/14/93/90/179149390.db2.gz GRXLXXDDGZONBP-GJZGRUSLSA-N 0 1 246.354 3.007 20 0 BGADMN Cc1cccc(NC[C@@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000354804406 187375191 /nfs/dbraw/zinc/37/51/91/187375191.db2.gz GRXLXXDDGZONBP-HUUCEWRRSA-N 0 1 246.354 3.007 20 0 BGADMN Cc1cccc(NC[C@@]2(C)CCO[C@H]2C2CC2)n1 ZINC000354804410 187374904 /nfs/dbraw/zinc/37/49/04/187374904.db2.gz GRXLXXDDGZONBP-LSDHHAIUSA-N 0 1 246.354 3.007 20 0 BGADMN COC1CCC(CNc2cccc(C)n2)CC1 ZINC000354811973 174021496 /nfs/dbraw/zinc/02/14/96/174021496.db2.gz WVDRJRDDWVMWNQ-UHFFFAOYSA-N 0 1 234.343 3.007 20 0 BGADMN CC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354825479 170041750 /nfs/dbraw/zinc/04/17/50/170041750.db2.gz CJYPSVBAKGQIQY-NXEZZACHSA-N 0 1 207.292 3.153 20 0 BGADMN COC1CCC(CCNc2cccc(C)n2)CC1 ZINC000354863725 174019925 /nfs/dbraw/zinc/01/99/25/174019925.db2.gz YAXYZLULFPADNN-UHFFFAOYSA-N 0 1 248.370 3.397 20 0 BGADMN C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CC1CCC1 ZINC000354872539 177300252 /nfs/dbraw/zinc/30/02/52/177300252.db2.gz CVLILZLDFGKCQT-XJKSGUPXSA-N 0 1 245.366 3.249 20 0 BGADMN C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC1CC1 ZINC000354877855 177300459 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VLTWJHAAVCGWPF-CYBMUJFWSA-N 0 1 237.391 3.068 20 0 BGADMN CCCC[C@H](CC)CN(C)Cc1nccn1C ZINC000355016678 356748066 /nfs/dbraw/zinc/74/80/66/356748066.db2.gz VLTWJHAAVCGWPF-ZDUSSCGKSA-N 0 1 237.391 3.068 20 0 BGADMN CCN(CCC1CC1)Cc1nc(C)cs1 ZINC000355031536 387467679 /nfs/dbraw/zinc/46/76/79/387467679.db2.gz FVDIAMPOUVGWTH-UHFFFAOYSA-N 0 1 224.373 3.074 20 0 BGADMN CCN(CCC1CC1)Cc1ccncc1Cl ZINC000355031552 387467447 /nfs/dbraw/zinc/46/74/47/387467447.db2.gz FWPRIRBUUSVFRM-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN CCN(CCC1CC1)Cc1ncc(C2CC2)o1 ZINC000355032781 387467474 /nfs/dbraw/zinc/46/74/74/387467474.db2.gz AFNZHLHDYZNQDK-UHFFFAOYSA-N 0 1 234.343 3.174 20 0 BGADMN CCc1nc(CN(CC)CCC2CC2)cs1 ZINC000355033516 356747559 /nfs/dbraw/zinc/74/75/59/356747559.db2.gz BJSUQIDAODIQIL-UHFFFAOYSA-N 0 1 238.400 3.328 20 0 BGADMN CCN(CCC1CC1)Cc1csc(C)n1 ZINC000355034122 387468758 /nfs/dbraw/zinc/46/87/58/387468758.db2.gz KOHGNASHRRUTBL-UHFFFAOYSA-N 0 1 224.373 3.074 20 0 BGADMN CCN(CCC1CC1)[C@H](C)c1ncc(C)o1 ZINC000355035541 387467882 /nfs/dbraw/zinc/46/78/82/387467882.db2.gz NEBJQQMAIYTFIH-LLVKDONJSA-N 0 1 222.332 3.166 20 0 BGADMN CCN(CCC1CC1)[C@@H](C)c1ncc(C)o1 ZINC000355035543 387467368 /nfs/dbraw/zinc/46/73/68/387467368.db2.gz NEBJQQMAIYTFIH-NSHDSACASA-N 0 1 222.332 3.166 20 0 BGADMN CCN(CCC1CC1)Cc1ncc(C)s1 ZINC000355038431 387467299 /nfs/dbraw/zinc/46/72/99/387467299.db2.gz MMQQRJNVICXATK-UHFFFAOYSA-N 0 1 224.373 3.074 20 0 BGADMN CCN(CCC1CC1)Cc1nccn1C(C)C ZINC000355039343 387467737 /nfs/dbraw/zinc/46/77/37/387467737.db2.gz RZUMOQIWUCOAQA-UHFFFAOYSA-N 0 1 235.375 3.086 20 0 BGADMN CCN(CCC1CC1)Cc1nc(C)sc1C ZINC000355054759 387471216 /nfs/dbraw/zinc/47/12/16/387471216.db2.gz HJOYKIWAQJTOBR-UHFFFAOYSA-N 0 1 238.400 3.382 20 0 BGADMN CCN(CCC1CC1)Cc1ccn(C(C)C)n1 ZINC000355064936 387472303 /nfs/dbraw/zinc/47/23/03/387472303.db2.gz RQSWCFJCRMLMPH-UHFFFAOYSA-N 0 1 235.375 3.086 20 0 BGADMN CCN(CCC1CC1)[C@@H](C)c1nc(C2CC2)no1 ZINC000355070588 387475441 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Cc1noc([C@H](C)N[C@H](C)CCCC(C)C)n1 ZINC000356530623 387668838 /nfs/dbraw/zinc/66/88/38/387668838.db2.gz REWQMPKHUSPAKU-MNOVXSKESA-N 0 1 239.363 3.243 20 0 BGADMN Cc1noc([C@H](C)N[C@@H](C)CCCC(C)C)n1 ZINC000356530624 387669220 /nfs/dbraw/zinc/66/92/20/387669220.db2.gz REWQMPKHUSPAKU-QWRGUYRKSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1noc([C@@H](C)N[C@@H](C)CCCC(C)C)n1 ZINC000356530626 387669272 /nfs/dbraw/zinc/66/92/72/387669272.db2.gz REWQMPKHUSPAKU-WDEREUQCSA-N 0 1 239.363 3.243 20 0 BGADMN CC(C)n1ccnc1CN([C@H](C)C1CC1)C1CC1 ZINC000356860674 387733580 /nfs/dbraw/zinc/73/35/80/387733580.db2.gz BUTMARQMOJPFSL-GFCCVEGCSA-N 0 1 247.386 3.227 20 0 BGADMN CC(C)n1ccnc1CN([C@@H](C)C1CC1)C1CC1 ZINC000356860677 387731854 /nfs/dbraw/zinc/73/18/54/387731854.db2.gz BUTMARQMOJPFSL-LBPRGKRZSA-N 0 1 247.386 3.227 20 0 BGADMN CCc1cccnc1[C@@H](C)NCCC(F)(F)F ZINC000356873681 387737684 /nfs/dbraw/zinc/73/76/84/387737684.db2.gz PVJKRPSNRRGOCH-SECBINFHSA-N 0 1 246.276 3.247 20 0 BGADMN CCc1cccnc1[C@H](C)NCCC(F)(F)F ZINC000356873683 387739116 /nfs/dbraw/zinc/73/91/16/387739116.db2.gz PVJKRPSNRRGOCH-VIFPVBQESA-N 0 1 246.276 3.247 20 0 BGADMN Cc1occc1CNCc1ccc(F)c(C)c1 ZINC000356914581 178027106 /nfs/dbraw/zinc/02/71/06/178027106.db2.gz YUCGKXMIAGJEHS-UHFFFAOYSA-N 0 1 233.286 3.325 20 0 BGADMN CCCCN(CC)[C@H](C)c1ncc(C)o1 ZINC000356956055 387754921 /nfs/dbraw/zinc/75/49/21/387754921.db2.gz JKFWBPGNEIFBGG-LLVKDONJSA-N 0 1 210.321 3.166 20 0 BGADMN CCCCN(CC)[C@@H](C)c1ncc(C)o1 ZINC000356956072 387754271 /nfs/dbraw/zinc/75/42/71/387754271.db2.gz JKFWBPGNEIFBGG-NSHDSACASA-N 0 1 210.321 3.166 20 0 BGADMN CC(C)=Cc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356968425 188065984 /nfs/dbraw/zinc/06/59/84/188065984.db2.gz WTUSBMRMHKNCHB-UHFFFAOYSA-N 0 1 240.266 3.036 20 0 BGADMN Cc1cnc([C@@H](C)N(C)CCc2ccccc2)o1 ZINC000356969116 384652409 /nfs/dbraw/zinc/65/24/09/384652409.db2.gz BQRQUJBOPDWEFZ-CYBMUJFWSA-N 0 1 244.338 3.219 20 0 BGADMN Cc1cnc([C@H](C)N(C)CCc2ccccc2)o1 ZINC000356969121 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/nfs/dbraw/zinc/26/85/82/177268582.db2.gz YIBMZWDDHMEDPF-STQMWFEESA-N 0 1 247.386 3.086 20 0 BGADMN CCC1CCN(Cc2ncc(C)s2)CC1 ZINC000357300176 386753362 /nfs/dbraw/zinc/75/33/62/386753362.db2.gz DBYMLCHENCGDCV-UHFFFAOYSA-N 0 1 224.373 3.074 20 0 BGADMN C[C@@H]1CC[C@H](C)N1Cc1ccn(C2CCCC2)n1 ZINC000357309897 177187395 /nfs/dbraw/zinc/18/73/95/177187395.db2.gz RGRHUDYHIJNOQM-BETUJISGSA-N 0 1 247.386 3.371 20 0 BGADMN C[C@@H]1CC[C@@H](C)N1Cc1ccn(C2CCCC2)n1 ZINC000357309901 176200505 /nfs/dbraw/zinc/20/05/05/176200505.db2.gz RGRHUDYHIJNOQM-CHWSQXEVSA-N 0 1 247.386 3.371 20 0 BGADMN C[C@H]1CC[C@H](C)N1Cc1ccn(C2CCCC2)n1 ZINC000357309905 177199966 /nfs/dbraw/zinc/19/99/66/177199966.db2.gz RGRHUDYHIJNOQM-STQMWFEESA-N 0 1 247.386 3.371 20 0 BGADMN CCC1(C)CCN(Cc2ncc(C)s2)CC1 ZINC000357310614 168445229 /nfs/dbraw/zinc/44/52/29/168445229.db2.gz UBWYXULPTLVWSI-UHFFFAOYSA-N 0 1 238.400 3.464 20 0 BGADMN CN(Cc1ccn(C2CCCC2)n1)CC1CCC1 ZINC000357311814 386756962 /nfs/dbraw/zinc/75/69/62/386756962.db2.gz XJVAOCNFIAGFRV-UHFFFAOYSA-N 0 1 247.386 3.230 20 0 BGADMN CC[C@]1(C)CCN(Cc2ncc(C)s2)C1 ZINC000357319564 386760052 /nfs/dbraw/zinc/76/00/52/386760052.db2.gz KXZDJJMNYKMAFV-GFCCVEGCSA-N 0 1 224.373 3.074 20 0 BGADMN CC[C@@]1(C)CCN(Cc2ncc(C)s2)C1 ZINC000357319567 171202206 /nfs/dbraw/zinc/20/22/06/171202206.db2.gz KXZDJJMNYKMAFV-LBPRGKRZSA-N 0 1 224.373 3.074 20 0 BGADMN CCCCN(C)c1ccnc(C)c1Cl ZINC000357320120 168786632 /nfs/dbraw/zinc/78/66/32/168786632.db2.gz CMTKUWBRJWKIMV-UHFFFAOYSA-N 0 1 212.724 3.280 20 0 BGADMN Cc1nccc(N2CCC[C@@H](C)C2)c1Cl ZINC000357320130 132273377 /nfs/dbraw/zinc/27/33/77/132273377.db2.gz CQOVIVXMVJQAGL-SECBINFHSA-N 0 1 224.735 3.280 20 0 BGADMN Cc1nccc(N2CCC[C@H](C)C2)c1Cl ZINC000357320131 132273657 /nfs/dbraw/zinc/27/36/57/132273657.db2.gz CQOVIVXMVJQAGL-VIFPVBQESA-N 0 1 224.735 3.280 20 0 BGADMN Cc1cnc(CN2CCC(C)(C)CC2)s1 ZINC000357329343 386760983 /nfs/dbraw/zinc/76/09/83/386760983.db2.gz DDLCIFLAPSPTGU-UHFFFAOYSA-N 0 1 224.373 3.074 20 0 BGADMN Cc1nccc(N(C)Cc2ccco2)c1Cl ZINC000357334192 187214373 /nfs/dbraw/zinc/21/43/73/187214373.db2.gz ISCMGERBUABOHB-UHFFFAOYSA-N 0 1 236.702 3.273 20 0 BGADMN Cc1nccc(N(C)C2CCC2)c1Cl ZINC000357338980 386764999 /nfs/dbraw/zinc/76/49/99/386764999.db2.gz QWDNXYIKOAMYRR-UHFFFAOYSA-N 0 1 210.708 3.032 20 0 BGADMN Cc1nccc(N2C[C@H]3CCC[C@@H]3C2)c1Cl ZINC000357338998 180194937 /nfs/dbraw/zinc/19/49/37/180194937.db2.gz RDCTVSUPBPQGAA-GHMZBOCLSA-N 0 1 236.746 3.280 20 0 BGADMN Cc1nccc(N2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000357339000 180194976 /nfs/dbraw/zinc/19/49/76/180194976.db2.gz RDCTVSUPBPQGAA-PHIMTYICSA-N 0 1 236.746 3.280 20 0 BGADMN Cc1nccc(N2C[C@@H]3CCC[C@H]3C2)c1Cl ZINC000357339001 180194237 /nfs/dbraw/zinc/19/42/37/180194237.db2.gz RDCTVSUPBPQGAA-QWRGUYRKSA-N 0 1 236.746 3.280 20 0 BGADMN Cc1nccc(N2CCC(C)CC2)c1Cl ZINC000357340004 132273317 /nfs/dbraw/zinc/27/33/17/132273317.db2.gz SIZSQZIOODLKGQ-UHFFFAOYSA-N 0 1 224.735 3.280 20 0 BGADMN Cc1cccc([C@@H](C)NCc2ccc(F)cn2)c1 ZINC000357473661 179182968 /nfs/dbraw/zinc/18/29/68/179182968.db2.gz LZIPOBIBMJGMJK-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc([C@H](C)NCc2ccc(F)cn2)c1 ZINC000357473665 179197032 /nfs/dbraw/zinc/19/70/32/179197032.db2.gz LZIPOBIBMJGMJK-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc(CCNc2cccc(C)n2)cc1 ZINC000357487851 386790545 /nfs/dbraw/zinc/79/05/45/386790545.db2.gz PRFUEKSBYLTZFD-UHFFFAOYSA-N 0 1 226.323 3.353 20 0 BGADMN CCCN(CC)c1ccnc(C)c1Cl ZINC000357503130 169134429 /nfs/dbraw/zinc/13/44/29/169134429.db2.gz MRNOSTMKIQXYKV-UHFFFAOYSA-N 0 1 212.724 3.280 20 0 BGADMN CC[C@@H]1CC[C@H](C)N1Cc1cn2ccsc2n1 ZINC000357526559 171054388 /nfs/dbraw/zinc/05/43/88/171054388.db2.gz GNZDWHVTEVXOFF-CMPLNLGQSA-N 0 1 249.383 3.159 20 0 BGADMN CC[C@H]1CC[C@H](C)N1Cc1cn2ccsc2n1 ZINC000357526650 386800274 /nfs/dbraw/zinc/80/02/74/386800274.db2.gz GNZDWHVTEVXOFF-JQWIXIFHSA-N 0 1 249.383 3.159 20 0 BGADMN CC[C@H]1CC[C@@H](C)N1Cc1cn2ccsc2n1 ZINC000357526653 386801112 /nfs/dbraw/zinc/80/11/12/386801112.db2.gz GNZDWHVTEVXOFF-PWSUYJOCSA-N 0 1 249.383 3.159 20 0 BGADMN CC[C@@H]1CC[C@@H](C)N1Cc1cn2ccsc2n1 ZINC000357526656 171038181 /nfs/dbraw/zinc/03/81/81/171038181.db2.gz GNZDWHVTEVXOFF-ZYHUDNBSSA-N 0 1 249.383 3.159 20 0 BGADMN CC[C@@H]1CC[C@H](C)N1Cc1ncc(C2CC2)o1 ZINC000357548738 171053845 /nfs/dbraw/zinc/05/38/45/171053845.db2.gz ARLKHJKYBDULAG-CMPLNLGQSA-N 0 1 234.343 3.315 20 0 BGADMN CC[C@H]1CC[C@H](C)N1Cc1ncc(C2CC2)o1 ZINC000357548741 386803418 /nfs/dbraw/zinc/80/34/18/386803418.db2.gz ARLKHJKYBDULAG-JQWIXIFHSA-N 0 1 234.343 3.315 20 0 BGADMN CC[C@H]1CC[C@@H](C)N1Cc1ncc(C2CC2)o1 ZINC000357548743 386802355 /nfs/dbraw/zinc/80/23/55/386802355.db2.gz ARLKHJKYBDULAG-PWSUYJOCSA-N 0 1 234.343 3.315 20 0 BGADMN CC[C@@H]1CC[C@@H](C)N1Cc1ncc(C2CC2)o1 ZINC000357548745 171039051 /nfs/dbraw/zinc/03/90/51/171039051.db2.gz ARLKHJKYBDULAG-ZYHUDNBSSA-N 0 1 234.343 3.315 20 0 BGADMN CC(C)N(CCC(F)(F)F)Cc1cccnc1 ZINC000357610453 188067419 /nfs/dbraw/zinc/06/74/19/188067419.db2.gz AMCFAIJRPFRHTK-UHFFFAOYSA-N 0 1 246.276 3.244 20 0 BGADMN Cc1cnc(CN(C)[C@@H](C)C2CCC2)s1 ZINC000357611173 386814662 /nfs/dbraw/zinc/81/46/62/386814662.db2.gz RYWMSESICYWKJW-JTQLQIEISA-N 0 1 224.373 3.072 20 0 BGADMN Cc1cnc(CN(C)[C@H](C)C2CCC2)s1 ZINC000357611174 386815278 /nfs/dbraw/zinc/81/52/78/386815278.db2.gz RYWMSESICYWKJW-SNVBAGLBSA-N 0 1 224.373 3.072 20 0 BGADMN C[C@@H]1c2cccn2CCN1CCC1CCCC1 ZINC000357661779 386821602 /nfs/dbraw/zinc/82/16/02/386821602.db2.gz IFHGXSRJTIEZEM-CYBMUJFWSA-N 0 1 232.371 3.445 20 0 BGADMN C[C@H]1c2cccn2CCN1CCC1CCCC1 ZINC000357661780 386823108 /nfs/dbraw/zinc/82/31/08/386823108.db2.gz IFHGXSRJTIEZEM-ZDUSSCGKSA-N 0 1 232.371 3.445 20 0 BGADMN Cc1ccc2nc(SCc3ccon3)[nH]c2c1 ZINC000357662178 386821090 /nfs/dbraw/zinc/82/10/90/386821090.db2.gz RFVNGAXERRCPIZ-UHFFFAOYSA-N 0 1 245.307 3.152 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCC[C@@H](F)C1 ZINC000357679710 132274438 /nfs/dbraw/zinc/27/44/38/132274438.db2.gz JIXPRTWIKAKLOX-LLVKDONJSA-N 0 1 248.276 3.312 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCC[C@H](F)C1 ZINC000357679712 132274546 /nfs/dbraw/zinc/27/45/46/132274546.db2.gz JIXPRTWIKAKLOX-NSHDSACASA-N 0 1 248.276 3.312 20 0 BGADMN CSCCCN(C)c1ccnc(C)c1Cl ZINC000357683596 386825682 /nfs/dbraw/zinc/82/56/82/386825682.db2.gz VWFOEGNJSNFFLE-UHFFFAOYSA-N 0 1 244.791 3.233 20 0 BGADMN CC[C@@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357718673 386833545 /nfs/dbraw/zinc/83/35/45/386833545.db2.gz YKCFJCMWJYRFHT-GFCCVEGCSA-N 0 1 235.375 3.229 20 0 BGADMN CC[C@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357718674 171309224 /nfs/dbraw/zinc/30/92/24/171309224.db2.gz YKCFJCMWJYRFHT-LBPRGKRZSA-N 0 1 235.375 3.229 20 0 BGADMN CC1(C)CCC(CSc2cn[nH]n2)CC1 ZINC000357731497 386837798 /nfs/dbraw/zinc/83/77/98/386837798.db2.gz NOVMKKFJGWGVEP-UHFFFAOYSA-N 0 1 225.361 3.113 20 0 BGADMN COCC1(CNc2cccc(C)n2)CCCCC1 ZINC000357775647 174106001 /nfs/dbraw/zinc/10/60/01/174106001.db2.gz QANURUQSWWQUMA-UHFFFAOYSA-N 0 1 248.370 3.399 20 0 BGADMN COCC1(CNc2cc(C)ccn2)CCCCC1 ZINC000357776787 174106688 /nfs/dbraw/zinc/10/66/88/174106688.db2.gz XGMKNGIUSRFGEO-UHFFFAOYSA-N 0 1 248.370 3.399 20 0 BGADMN CC[C@H](CNc1ccnc2cc(F)ccc21)OC ZINC000357778073 386843391 /nfs/dbraw/zinc/84/33/91/386843391.db2.gz BDBJWKOFDRCNNG-LLVKDONJSA-N 0 1 248.301 3.211 20 0 BGADMN CC[C@@H](CNc1ccnc2cc(F)ccc21)OC ZINC000357778074 386842342 /nfs/dbraw/zinc/84/23/42/386842342.db2.gz BDBJWKOFDRCNNG-NSHDSACASA-N 0 1 248.301 3.211 20 0 BGADMN CSc1ccccc1C[N@@H+](C)C1CC1 ZINC000358059443 386886623 /nfs/dbraw/zinc/88/66/23/386886623.db2.gz FFKNMHNQRNXAFW-UHFFFAOYSA-N 0 1 207.342 3.003 20 0 BGADMN CC[N@@H+](Cc1ccccc1SC)C1CC1 ZINC000358070677 356860578 /nfs/dbraw/zinc/86/05/78/356860578.db2.gz VYEKUBUSVDQYIQ-UHFFFAOYSA-N 0 1 221.369 3.393 20 0 BGADMN CSc1ccccc1CN1CC[C@@](C)(F)C1 ZINC000358074796 386887775 /nfs/dbraw/zinc/88/77/75/386887775.db2.gz PPTTZWHUYODIBX-CYBMUJFWSA-N 0 1 239.359 3.342 20 0 BGADMN CSc1ccccc1CN1CC[C@](C)(F)C1 ZINC000358074797 386889313 /nfs/dbraw/zinc/88/93/13/386889313.db2.gz PPTTZWHUYODIBX-ZDUSSCGKSA-N 0 1 239.359 3.342 20 0 BGADMN CCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000358112866 386892424 /nfs/dbraw/zinc/89/24/24/386892424.db2.gz CKSJLCXGYCFMGX-UHFFFAOYSA-N 0 1 245.351 3.072 20 0 BGADMN C[C@@H](NCc1ccc2c(c1)COC2)c1ccco1 ZINC000358311963 386932942 /nfs/dbraw/zinc/93/29/42/386932942.db2.gz ATMSIENJIJQMGU-LLVKDONJSA-N 0 1 243.306 3.161 20 0 BGADMN C[C@H](NCc1ccc2c(c1)COC2)c1ccco1 ZINC000358311964 386932313 /nfs/dbraw/zinc/93/23/13/386932313.db2.gz ATMSIENJIJQMGU-NSHDSACASA-N 0 1 243.306 3.161 20 0 BGADMN CC[C@@H](NCc1cc(C)ncn1)c1cccs1 ZINC000358364234 356867186 /nfs/dbraw/zinc/86/71/86/356867186.db2.gz HTKIWRCWSFKSMD-GFCCVEGCSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1cc(C)ncn1)c1cccs1 ZINC000358364238 386940439 /nfs/dbraw/zinc/94/04/39/386940439.db2.gz HTKIWRCWSFKSMD-LBPRGKRZSA-N 0 1 247.367 3.087 20 0 BGADMN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccco1 ZINC000358367150 386943722 /nfs/dbraw/zinc/94/37/22/386943722.db2.gz KKKMQLVLUQIABV-ABAIWWIYSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccco1 ZINC000358367151 386944147 /nfs/dbraw/zinc/94/41/47/386944147.db2.gz KKKMQLVLUQIABV-IAQYHMDHSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccco1 ZINC000358367152 386942814 /nfs/dbraw/zinc/94/28/14/386942814.db2.gz KKKMQLVLUQIABV-NHYWBVRUSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccco1 ZINC000358367153 386943176 /nfs/dbraw/zinc/94/31/76/386943176.db2.gz KKKMQLVLUQIABV-XHDPSFHLSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H]1CCCCCN1Cc1cn2ccsc2n1 ZINC000358377382 176063104 /nfs/dbraw/zinc/06/31/04/176063104.db2.gz AOJKCUSKGRQCRY-LLVKDONJSA-N 0 1 249.383 3.160 20 0 BGADMN C[C@H]1CCCCCN1Cc1cn2ccsc2n1 ZINC000358377385 177070528 /nfs/dbraw/zinc/07/05/28/177070528.db2.gz AOJKCUSKGRQCRY-NSHDSACASA-N 0 1 249.383 3.160 20 0 BGADMN CCc1cnccc1[C@@H](C)NCc1ccc(C)o1 ZINC000358502032 356870006 /nfs/dbraw/zinc/87/00/06/356870006.db2.gz BMPAJTFUJJGNML-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN 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ZINC000361729969 187218245 /nfs/dbraw/zinc/21/82/45/187218245.db2.gz WBNWXPJXWCYMPL-UHFFFAOYSA-N 0 1 241.334 3.455 20 0 BGADMN Cc1ccc2c(c1)CCN(Cc1ccco1)C2 ZINC000361736293 187219044 /nfs/dbraw/zinc/21/90/44/187219044.db2.gz KXTXSKMTNVYJJH-UHFFFAOYSA-N 0 1 227.307 3.146 20 0 BGADMN CCCCC[C@@H]1CCCN1Cc1ncccn1 ZINC000361835515 387539666 /nfs/dbraw/zinc/53/96/66/387539666.db2.gz ANXWHZJPACAEOD-CYBMUJFWSA-N 0 1 233.359 3.021 20 0 BGADMN CCCCC[C@H]1CCCN1Cc1ncccn1 ZINC000361835516 387540151 /nfs/dbraw/zinc/54/01/51/387540151.db2.gz ANXWHZJPACAEOD-ZDUSSCGKSA-N 0 1 233.359 3.021 20 0 BGADMN CCC1(CC)CCCN(Cc2ncccn2)CC1 ZINC000361841469 387542019 /nfs/dbraw/zinc/54/20/19/387542019.db2.gz DFTDHJXZXDGBDZ-UHFFFAOYSA-N 0 1 247.386 3.269 20 0 BGADMN Cc1ccc2c(c1)CCN(CCC(F)(F)F)C2 ZINC000361843876 387541810 /nfs/dbraw/zinc/54/18/10/387541810.db2.gz SECNRCXEOJQPHA-UHFFFAOYSA-N 0 1 243.272 3.306 20 0 BGADMN C[C@H](N[C@@H](CCO)c1ccccc1)c1ccco1 ZINC000361876042 387548241 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BGADMN C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000362352449 388561543 /nfs/dbraw/zinc/56/15/43/388561543.db2.gz CVLAHVKDFKEIQK-NSHDSACASA-N 0 1 247.338 3.005 20 0 BGADMN CCCc1nc(CN2C[C@@H](C)[C@H](C)C2)cs1 ZINC000362433867 387611890 /nfs/dbraw/zinc/61/18/90/387611890.db2.gz ITILNFBXHKMASZ-GHMZBOCLSA-N 0 1 238.400 3.183 20 0 BGADMN CCCc1nc(CN2C[C@H](C)[C@H](C)C2)cs1 ZINC000362433869 387612552 /nfs/dbraw/zinc/61/25/52/387612552.db2.gz ITILNFBXHKMASZ-PHIMTYICSA-N 0 1 238.400 3.183 20 0 BGADMN CCCc1nc(CN2C[C@H](C)[C@@H](C)C2)cs1 ZINC000362433870 387611858 /nfs/dbraw/zinc/61/18/58/387611858.db2.gz ITILNFBXHKMASZ-QWRGUYRKSA-N 0 1 238.400 3.183 20 0 BGADMN c1ccc([C@@H]2COCCN2[C@@H]2C=CCCC2)cc1 ZINC000362436141 187304766 /nfs/dbraw/zinc/30/47/66/187304766.db2.gz YTEYWPYRGMBIPV-CVEARBPZSA-N 0 1 243.350 3.169 20 0 BGADMN c1ccc([C@@H]2COCC[N@@H+]2[C@@H]2C=CCCC2)cc1 ZINC000362436141 187304764 /nfs/dbraw/zinc/30/47/64/187304764.db2.gz YTEYWPYRGMBIPV-CVEARBPZSA-N 0 1 243.350 3.169 20 0 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ZINC000362570715 179180290 /nfs/dbraw/zinc/18/02/90/179180290.db2.gz SPVOFKVPDJYUKI-CJNGLKHVSA-N 0 1 245.366 3.167 20 0 BGADMN Cc1cccc([C@@H](C)N2CCO[C@@H](C3CC3)C2)c1 ZINC000362570716 179181236 /nfs/dbraw/zinc/18/12/36/179181236.db2.gz SPVOFKVPDJYUKI-CZUORRHYSA-N 0 1 245.366 3.167 20 0 BGADMN Cc1cccc([C@H](C)N2CCO[C@@H](C3CC3)C2)c1 ZINC000362570717 179195250 /nfs/dbraw/zinc/19/52/50/179195250.db2.gz SPVOFKVPDJYUKI-XJKSGUPXSA-N 0 1 245.366 3.167 20 0 BGADMN CCC1(CC)CCN(Cc2nccc(C)n2)CC1 ZINC000362583682 387634629 /nfs/dbraw/zinc/63/46/29/387634629.db2.gz MNPDSPFFFQKFNK-UHFFFAOYSA-N 0 1 247.386 3.187 20 0 BGADMN CCC1(CC)CCN(Cc2cc(C)n(C)n2)CC1 ZINC000362601932 387640480 /nfs/dbraw/zinc/64/04/80/387640480.db2.gz JVDRDXDOUKTHRS-UHFFFAOYSA-N 0 1 249.402 3.131 20 0 BGADMN FC1=CCCN(c2ccnc3ccccc32)C1 ZINC000362642009 132281794 /nfs/dbraw/zinc/28/17/94/132281794.db2.gz GPDDSBZWNKFGCS-UHFFFAOYSA-N 0 1 228.270 3.298 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCC=C(F)C1 ZINC000362647471 132281732 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AEJDZCIOINHFFL-LBPRGKRZSA-N 0 1 227.298 3.253 20 0 BGADMN CC[C@@H]1CCCC[C@H]1NCC(C)(F)F ZINC000378731737 346820260 /nfs/dbraw/zinc/82/02/60/346820260.db2.gz BAOLIFREVDGZGC-NXEZZACHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@H]1CCCC[C@@H]1NCC(C)(F)F ZINC000378731739 346820679 /nfs/dbraw/zinc/82/06/79/346820679.db2.gz BAOLIFREVDGZGC-UWVGGRQHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@H]1CCCC[C@H]1NCC(C)(F)F ZINC000378731740 346820683 /nfs/dbraw/zinc/82/06/83/346820683.db2.gz BAOLIFREVDGZGC-VHSXEESVSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@@H]1CCCC[C@@H]1NCC(C)(F)F ZINC000378731741 346820707 /nfs/dbraw/zinc/82/07/07/346820707.db2.gz BAOLIFREVDGZGC-ZJUUUORDSA-N 0 1 205.292 3.200 20 0 BGADMN Cc1cc([C@@H](C)N[C@H]2CCC[C@H]2F)oc1C ZINC000378742712 345549827 /nfs/dbraw/zinc/54/98/27/345549827.db2.gz HVTUZXXPOMBSCX-JLLWLGSASA-N 0 1 225.307 3.438 20 0 BGADMN CC(F)(F)CN[C@@H]1CCCC[C@@H]1C1CC1 ZINC000378749331 346823889 /nfs/dbraw/zinc/82/38/89/346823889.db2.gz NOYIFZBLEYDILQ-GHMZBOCLSA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@H]1CCCC[C@@H]1C1CC1 ZINC000378749333 346823873 /nfs/dbraw/zinc/82/38/73/346823873.db2.gz NOYIFZBLEYDILQ-MNOVXSKESA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@H]1CCCC[C@H]1C1CC1 ZINC000378749335 346824159 /nfs/dbraw/zinc/82/41/59/346824159.db2.gz NOYIFZBLEYDILQ-QWRGUYRKSA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@@H]1CCCC[C@H]1C1CC1 ZINC000378749339 346824248 /nfs/dbraw/zinc/82/42/48/346824248.db2.gz NOYIFZBLEYDILQ-WDEREUQCSA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@H]1CCCC12CCCC2 ZINC000378754224 346824640 /nfs/dbraw/zinc/82/46/40/346824640.db2.gz QYHSAEKDQKLISA-JTQLQIEISA-N 0 1 217.303 3.344 20 0 BGADMN CC(F)(F)CN[C@@H]1CCCC12CCCC2 ZINC000378754225 346825232 /nfs/dbraw/zinc/82/52/32/346825232.db2.gz QYHSAEKDQKLISA-SNVBAGLBSA-N 0 1 217.303 3.344 20 0 BGADMN Fc1ccccc1CN[C@@H]1CCCC[C@H]1F ZINC000378754633 346825256 /nfs/dbraw/zinc/82/52/56/346825256.db2.gz XHDUNXYMWGJDJZ-CHWSQXEVSA-N 0 1 225.282 3.196 20 0 BGADMN F[C@H]1CCC[C@H]1NCc1cnc(C2CC2)s1 ZINC000378761426 346828620 /nfs/dbraw/zinc/82/86/20/346828620.db2.gz ANPOKOYWFIOSSI-WDEREUQCSA-N 0 1 240.347 3.001 20 0 BGADMN CC(F)(F)CNC[C@H]1CCCC(C)(C)C1 ZINC000378761433 346828093 /nfs/dbraw/zinc/82/80/93/346828093.db2.gz WADDCKNYSLJVHA-JTQLQIEISA-N 0 1 219.319 3.448 20 0 BGADMN CC(F)(F)CNC[C@@H]1CCCC(C)(C)C1 ZINC000378761434 346828683 /nfs/dbraw/zinc/82/86/83/346828683.db2.gz WADDCKNYSLJVHA-SNVBAGLBSA-N 0 1 219.319 3.448 20 0 BGADMN CC(C)C1CCC(NCC(C)(F)F)CC1 ZINC000378771033 397828957 /nfs/dbraw/zinc/82/89/57/397828957.db2.gz CDNDHJDOQZJOMJ-UHFFFAOYSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)cn1 ZINC000378774419 345561554 /nfs/dbraw/zinc/56/15/54/345561554.db2.gz MQZZXMYLAVAQHK-UISBYWKRSA-N 0 1 242.725 3.276 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c(C)o1 ZINC000378776991 346830024 /nfs/dbraw/zinc/83/00/24/346830024.db2.gz DSWYYTNFQGATCS-JIMOISOXSA-N 0 1 225.307 3.438 20 0 BGADMN CC(C)CC[C@@H](NCC(C)(F)F)C1CC1 ZINC000378777797 345559253 /nfs/dbraw/zinc/55/92/53/345559253.db2.gz FYMHLGZJIRNSNF-LLVKDONJSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)CC[C@H](NCC(C)(F)F)C1CC1 ZINC000378777799 345559658 /nfs/dbraw/zinc/55/96/58/345559658.db2.gz FYMHLGZJIRNSNF-NSHDSACASA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000378778650 346830859 /nfs/dbraw/zinc/83/08/59/346830859.db2.gz GILVEKCOWVLDQY-GHMZBOCLSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000378778651 346830647 /nfs/dbraw/zinc/83/06/47/346830647.db2.gz GILVEKCOWVLDQY-MNOVXSKESA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000378778652 346831082 /nfs/dbraw/zinc/83/10/82/346831082.db2.gz GILVEKCOWVLDQY-QWRGUYRKSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000378778654 346830575 /nfs/dbraw/zinc/83/05/75/346830575.db2.gz GILVEKCOWVLDQY-WDEREUQCSA-N 0 1 219.319 3.446 20 0 BGADMN COc1ccsc1CN[C@@H]1CCCC[C@H]1F ZINC000378778889 346830729 /nfs/dbraw/zinc/83/07/29/346830729.db2.gz ISDVOAUVIFUYCZ-NXEZZACHSA-N 0 1 243.347 3.127 20 0 BGADMN C[C@H](CCC(C)(C)C)NCC(C)(F)F ZINC000378785327 345559367 /nfs/dbraw/zinc/55/93/67/345559367.db2.gz JNSJNWZVHZAQOA-SECBINFHSA-N 0 1 207.308 3.446 20 0 BGADMN C[C@@H](CCC(C)(C)C)NCC(C)(F)F ZINC000378785328 345559620 /nfs/dbraw/zinc/55/96/20/345559620.db2.gz JNSJNWZVHZAQOA-VIFPVBQESA-N 0 1 207.308 3.446 20 0 BGADMN C[C@@H](NCC(C)(F)F)C1CCCCC1 ZINC000378785689 346832334 /nfs/dbraw/zinc/83/23/34/346832334.db2.gz JSDIAXGEEJSUPW-SECBINFHSA-N 0 1 205.292 3.200 20 0 BGADMN C[C@H](NCC(C)(F)F)C1CCCCC1 ZINC000378785690 346832304 /nfs/dbraw/zinc/83/23/04/346832304.db2.gz JSDIAXGEEJSUPW-VIFPVBQESA-N 0 1 205.292 3.200 20 0 BGADMN CCc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)o1 ZINC000378798849 346836148 /nfs/dbraw/zinc/83/61/48/346836148.db2.gz TWZKXIXLUWYDOK-ADEWGFFLSA-N 0 1 225.307 3.383 20 0 BGADMN CCc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)o1 ZINC000378798850 346836525 /nfs/dbraw/zinc/83/65/25/346836525.db2.gz TWZKXIXLUWYDOK-JLLWLGSASA-N 0 1 225.307 3.383 20 0 BGADMN C[C@@H]1C[C@@H](NCC(C)(F)F)CC(C)(C)C1 ZINC000378799427 346837224 /nfs/dbraw/zinc/83/72/24/346837224.db2.gz STYBFWZNAQFGAC-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1C[C@H](NCC(C)(F)F)CC(C)(C)C1 ZINC000378799594 346837096 /nfs/dbraw/zinc/83/70/96/346837096.db2.gz STYBFWZNAQFGAC-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1C[C@@H](NCC(C)(F)F)CC(C)(C)C1 ZINC000378799595 346836848 /nfs/dbraw/zinc/83/68/48/346836848.db2.gz STYBFWZNAQFGAC-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1C[C@H](NCC(C)(F)F)CC(C)(C)C1 ZINC000378799597 346837045 /nfs/dbraw/zinc/83/70/45/346837045.db2.gz STYBFWZNAQFGAC-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN COc1ccsc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000378836638 345667401 /nfs/dbraw/zinc/66/74/01/345667401.db2.gz MQLIFCLSXXPAJQ-KXUCPTDWSA-N 0 1 243.347 3.298 20 0 BGADMN CCC[C@@H](C)[C@@H](CC)NCC(C)(F)F ZINC000378846860 346845391 /nfs/dbraw/zinc/84/53/91/346845391.db2.gz AJTWTSHWCMJYBC-NXEZZACHSA-N 0 1 207.308 3.446 20 0 BGADMN CCC[C@H](C)[C@H](CC)NCC(C)(F)F ZINC000378846872 346845275 /nfs/dbraw/zinc/84/52/75/346845275.db2.gz AJTWTSHWCMJYBC-UWVGGRQHSA-N 0 1 207.308 3.446 20 0 BGADMN CCC[C@H](C)[C@@H](CC)NCC(C)(F)F ZINC000378846875 346845407 /nfs/dbraw/zinc/84/54/07/346845407.db2.gz AJTWTSHWCMJYBC-VHSXEESVSA-N 0 1 207.308 3.446 20 0 BGADMN CCC[C@@H](C)[C@H](CC)NCC(C)(F)F ZINC000378846879 346845233 /nfs/dbraw/zinc/84/52/33/346845233.db2.gz AJTWTSHWCMJYBC-ZJUUUORDSA-N 0 1 207.308 3.446 20 0 BGADMN CC(C)=CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000378853666 388522009 /nfs/dbraw/zinc/52/20/09/388522009.db2.gz IBFUDUIYCLYLHN-UHFFFAOYSA-N 0 1 239.746 3.492 20 0 BGADMN CC[C@@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000378856209 346849645 /nfs/dbraw/zinc/84/96/45/346849645.db2.gz KLYDKRKBLYHMNR-NXEZZACHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000378856210 346849690 /nfs/dbraw/zinc/84/96/90/346849690.db2.gz KLYDKRKBLYHMNR-UWVGGRQHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000378856211 346849578 /nfs/dbraw/zinc/84/95/78/346849578.db2.gz KLYDKRKBLYHMNR-VHSXEESVSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000378856212 346849796 /nfs/dbraw/zinc/84/97/96/346849796.db2.gz KLYDKRKBLYHMNR-ZJUUUORDSA-N 0 1 205.292 3.200 20 0 BGADMN C[C@@H]1CCC[C@@H](CNCC(C)(F)F)C1 ZINC000378856252 346849745 /nfs/dbraw/zinc/84/97/45/346849745.db2.gz KNPAEUUAYKSWGG-NXEZZACHSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@H]1CCC[C@H](CNCC(C)(F)F)C1 ZINC000378856253 346849698 /nfs/dbraw/zinc/84/96/98/346849698.db2.gz KNPAEUUAYKSWGG-UWVGGRQHSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@H]1CCC[C@@H](CNCC(C)(F)F)C1 ZINC000378856254 346849481 /nfs/dbraw/zinc/84/94/81/346849481.db2.gz KNPAEUUAYKSWGG-VHSXEESVSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@@H]1CCC[C@H](CNCC(C)(F)F)C1 ZINC000378856255 346849457 /nfs/dbraw/zinc/84/94/57/346849457.db2.gz KNPAEUUAYKSWGG-ZJUUUORDSA-N 0 1 205.292 3.058 20 0 BGADMN CC(F)(F)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000378856804 346849679 /nfs/dbraw/zinc/84/96/79/346849679.db2.gz KYDJFKLNKZSJMM-HTQZYQBOSA-N 0 1 245.235 3.352 20 0 BGADMN CC(F)(F)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000378856805 346849765 /nfs/dbraw/zinc/84/97/65/346849765.db2.gz KYDJFKLNKZSJMM-JGVFFNPUSA-N 0 1 245.235 3.352 20 0 BGADMN CC(F)(F)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000378856806 346849448 /nfs/dbraw/zinc/84/94/48/346849448.db2.gz KYDJFKLNKZSJMM-SFYZADRCSA-N 0 1 245.235 3.352 20 0 BGADMN CC(F)(F)CN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000378856807 346849604 /nfs/dbraw/zinc/84/96/04/346849604.db2.gz KYDJFKLNKZSJMM-YUMQZZPRSA-N 0 1 245.235 3.352 20 0 BGADMN CC(F)(F)CN[C@H]1CC[C@H]1C(C)(C)C ZINC000378860647 346848310 /nfs/dbraw/zinc/84/83/10/346848310.db2.gz PHIPIDFOESPBGE-BDAKNGLRSA-N 0 1 205.292 3.056 20 0 BGADMN CC(F)(F)CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000378860648 346848345 /nfs/dbraw/zinc/84/83/45/346848345.db2.gz PHIPIDFOESPBGE-DTWKUNHWSA-N 0 1 205.292 3.056 20 0 BGADMN CC(F)(F)CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000378860649 346847855 /nfs/dbraw/zinc/84/78/55/346847855.db2.gz PHIPIDFOESPBGE-IUCAKERBSA-N 0 1 205.292 3.056 20 0 BGADMN CC(F)(F)CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000378860650 346848353 /nfs/dbraw/zinc/84/83/53/346848353.db2.gz PHIPIDFOESPBGE-RKDXNWHRSA-N 0 1 205.292 3.056 20 0 BGADMN CC[C@@H]1CCC[C@@H](CNCC(C)(F)F)C1 ZINC000378862946 346848777 /nfs/dbraw/zinc/84/87/77/346848777.db2.gz UPODNMOGTOOINR-GHMZBOCLSA-N 0 1 219.319 3.448 20 0 BGADMN CC[C@@H]1CCC[C@H](CNCC(C)(F)F)C1 ZINC000378862947 346848661 /nfs/dbraw/zinc/84/86/61/346848661.db2.gz UPODNMOGTOOINR-MNOVXSKESA-N 0 1 219.319 3.448 20 0 BGADMN CC[C@H]1CCC[C@H](CNCC(C)(F)F)C1 ZINC000378862948 346849122 /nfs/dbraw/zinc/84/91/22/346849122.db2.gz UPODNMOGTOOINR-QWRGUYRKSA-N 0 1 219.319 3.448 20 0 BGADMN CC[C@H]1CCC[C@@H](CNCC(C)(F)F)C1 ZINC000378862949 346848669 /nfs/dbraw/zinc/84/86/69/346848669.db2.gz UPODNMOGTOOINR-WDEREUQCSA-N 0 1 219.319 3.448 20 0 BGADMN CC(F)(F)CNC1CCC(C(F)(F)F)CC1 ZINC000378863542 712365081 /nfs/dbraw/zinc/36/50/81/712365081.db2.gz VSJVMFZOWZFKTI-UHFFFAOYSA-N 0 1 245.235 3.352 20 0 BGADMN CC(F)(F)CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000378865399 346849751 /nfs/dbraw/zinc/84/97/51/346849751.db2.gz ZHJHCJSVIPTULY-GHMZBOCLSA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000378865400 346849543 /nfs/dbraw/zinc/84/95/43/346849543.db2.gz ZHJHCJSVIPTULY-MNOVXSKESA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000378865401 346849559 /nfs/dbraw/zinc/84/95/59/346849559.db2.gz ZHJHCJSVIPTULY-QWRGUYRKSA-N 0 1 217.303 3.200 20 0 BGADMN CC(F)(F)CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000378865402 346849591 /nfs/dbraw/zinc/84/95/91/346849591.db2.gz ZHJHCJSVIPTULY-WDEREUQCSA-N 0 1 217.303 3.200 20 0 BGADMN Cc1ccc([C@H](C)NCc2conc2C)s1 ZINC000378871745 712365477 /nfs/dbraw/zinc/36/54/77/712365477.db2.gz PHVXMYXOADEZHI-JTQLQIEISA-N 0 1 236.340 3.204 20 0 BGADMN Cc1ccc([C@@H](C)NCc2conc2C)s1 ZINC000378871746 712365386 /nfs/dbraw/zinc/36/53/86/712365386.db2.gz PHVXMYXOADEZHI-SNVBAGLBSA-N 0 1 236.340 3.204 20 0 BGADMN CC[C@H](C)[C@@H](C(=O)NOC(C)C)c1ccccc1 ZINC000379023116 712368496 /nfs/dbraw/zinc/36/84/96/712368496.db2.gz TZGQDHRGADANCB-GXTWGEPZSA-N 0 1 249.354 3.273 20 0 BGADMN CC[C@H](C)[C@H](C(=O)NOC(C)C)c1ccccc1 ZINC000379023117 711690373 /nfs/dbraw/zinc/69/03/73/711690373.db2.gz TZGQDHRGADANCB-JSGCOSHPSA-N 0 1 249.354 3.273 20 0 BGADMN CC[C@@H](C)[C@H](C(=O)NOC(C)C)c1ccccc1 ZINC000379023118 712368908 /nfs/dbraw/zinc/36/89/08/712368908.db2.gz TZGQDHRGADANCB-OCCSQVGLSA-N 0 1 249.354 3.273 20 0 BGADMN CC[C@@H](C)[C@@H](C(=O)NOC(C)C)c1ccccc1 ZINC000379023119 712368770 /nfs/dbraw/zinc/36/87/70/712368770.db2.gz TZGQDHRGADANCB-TZMCWYRMSA-N 0 1 249.354 3.273 20 0 BGADMN C[C@@H]1C[C@@H](C)N(C/C(Cl)=C\Cl)C1 ZINC000379311273 712372872 /nfs/dbraw/zinc/37/28/72/712372872.db2.gz JGSBQCJJVGFMSR-AWIPERHVSA-N 0 1 208.132 3.036 20 0 BGADMN C[C@@H]1C[C@@H](C)[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000379311273 712372871 /nfs/dbraw/zinc/37/28/71/712372871.db2.gz JGSBQCJJVGFMSR-AWIPERHVSA-N 0 1 208.132 3.036 20 0 BGADMN C[C@@H]1C[C@H](C)N(C/C(Cl)=C\Cl)C1 ZINC000379311274 712372821 /nfs/dbraw/zinc/37/28/21/712372821.db2.gz JGSBQCJJVGFMSR-QPTPAPJBSA-N 0 1 208.132 3.036 20 0 BGADMN C[C@@H]1C[C@H](C)[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000379311274 712372820 /nfs/dbraw/zinc/37/28/20/712372820.db2.gz JGSBQCJJVGFMSR-QPTPAPJBSA-N 0 1 208.132 3.036 20 0 BGADMN C/C=C\CNCc1sccc1Br ZINC000379312529 360638790 /nfs/dbraw/zinc/63/87/90/360638790.db2.gz AOVFLADLLQBEKL-IHWYPQMZSA-N 0 1 246.173 3.176 20 0 BGADMN CCC(C)(C)N(C)C/C(Cl)=C\Cl ZINC000379314108 712372998 /nfs/dbraw/zinc/37/29/98/712372998.db2.gz LJWBINZPJFZKCJ-SOFGYWHQSA-N 0 1 210.148 3.426 20 0 BGADMN CCC(C)(C)[N@@H+](C)C/C(Cl)=C\Cl ZINC000379314108 712372997 /nfs/dbraw/zinc/37/29/97/712372997.db2.gz LJWBINZPJFZKCJ-SOFGYWHQSA-N 0 1 210.148 3.426 20 0 BGADMN CCC(C)(C)N(C)C/C(Cl)=C/Cl ZINC000379314109 711799494 /nfs/dbraw/zinc/79/94/94/711799494.db2.gz LJWBINZPJFZKCJ-VURMDHGXSA-N 0 1 210.148 3.426 20 0 BGADMN CC(C)[C@@H](C)N(C)C/C(Cl)=C\Cl ZINC000379323496 711799540 /nfs/dbraw/zinc/79/95/40/711799540.db2.gz QLLVNPYLZCRAHS-CBVZUMJXSA-N 0 1 210.148 3.282 20 0 BGADMN CC(C)[C@@H](C)N(C)C/C(Cl)=C/Cl ZINC000379323497 712373920 /nfs/dbraw/zinc/37/39/20/712373920.db2.gz QLLVNPYLZCRAHS-CPJBWDMUSA-N 0 1 210.148 3.282 20 0 BGADMN CC(C)[C@H](C)N(C)C/C(Cl)=C/Cl ZINC000379323498 712373637 /nfs/dbraw/zinc/37/36/37/712373637.db2.gz QLLVNPYLZCRAHS-HXOPTJOXSA-N 0 1 210.148 3.282 20 0 BGADMN CC(C)[C@H](C)N(C)C/C(Cl)=C\Cl ZINC000379323499 712373703 /nfs/dbraw/zinc/37/37/03/712373703.db2.gz QLLVNPYLZCRAHS-MOIHINDBSA-N 0 1 210.148 3.282 20 0 BGADMN CCN(C/C(Cl)=C/Cl)CC(C)C ZINC000379331600 712374587 /nfs/dbraw/zinc/37/45/87/712374587.db2.gz DKKFLJUZDVCOHG-UITAMQMPSA-N 0 1 210.148 3.283 20 0 BGADMN CCN(C/C(Cl)=C\Cl)CC(C)C ZINC000379331601 712374275 /nfs/dbraw/zinc/37/42/75/712374275.db2.gz DKKFLJUZDVCOHG-WEVVVXLNSA-N 0 1 210.148 3.283 20 0 BGADMN Cl/C=C(\Cl)CN1CCC[C@@H]1C1CC1 ZINC000379360817 712376426 /nfs/dbraw/zinc/37/64/26/712376426.db2.gz DDBYOENHVJFPKT-ABRRARGCSA-N 0 1 220.143 3.180 20 0 BGADMN Cl/C=C(\Cl)CN1CCC[C@H]1C1CC1 ZINC000379360818 711800303 /nfs/dbraw/zinc/80/03/03/711800303.db2.gz DDBYOENHVJFPKT-MBACFSSFSA-N 0 1 220.143 3.180 20 0 BGADMN Cl/C=C(\Cl)CN1CC[C@@H](C2CC2)C1 ZINC000379378048 712379692 /nfs/dbraw/zinc/37/96/92/712379692.db2.gz ZXDWUBGTAWNKGM-JRZFIGEHSA-N 0 1 220.143 3.037 20 0 BGADMN Cl/C=C(\Cl)CN1CC[C@H](C2CC2)C1 ZINC000379378049 712379891 /nfs/dbraw/zinc/37/98/91/712379891.db2.gz ZXDWUBGTAWNKGM-QFQXNISHSA-N 0 1 220.143 3.037 20 0 BGADMN CC(C)N(C/C(Cl)=C\Cl)CC1CC1 ZINC000379388915 712380758 /nfs/dbraw/zinc/38/07/58/712380758.db2.gz KMGQFNJMMLLZFQ-BJMVGYQFSA-N 0 1 222.159 3.426 20 0 BGADMN CC(C)N(C/C(Cl)=C/Cl)CC1CC1 ZINC000379388916 711801018 /nfs/dbraw/zinc/80/10/18/711801018.db2.gz KMGQFNJMMLLZFQ-YHYXMXQVSA-N 0 1 222.159 3.426 20 0 BGADMN CCC[C@H](C)CN1CCC=C(Br)C1 ZINC000379412146 712383072 /nfs/dbraw/zinc/38/30/72/712383072.db2.gz JPQXXZMMGZKQPI-JTQLQIEISA-N 0 1 246.192 3.407 20 0 BGADMN CCC[C@@H](C)CN1CCC=C(Br)C1 ZINC000379412147 712383350 /nfs/dbraw/zinc/38/33/50/712383350.db2.gz JPQXXZMMGZKQPI-SNVBAGLBSA-N 0 1 246.192 3.407 20 0 BGADMN Cc1cc([C@H](C)NC/C=C\Cl)c(C)o1 ZINC000379509883 712386701 /nfs/dbraw/zinc/38/67/01/712386701.db2.gz WBZOMBVJUKUSHT-WBSSQXGSSA-N 0 1 213.708 3.300 20 0 BGADMN Cc1cc([C@@H](C)NC/C=C\Cl)c(C)o1 ZINC000379509884 712386678 /nfs/dbraw/zinc/38/66/78/712386678.db2.gz WBZOMBVJUKUSHT-XRVBUDJMSA-N 0 1 213.708 3.300 20 0 BGADMN CCCCNC1(C(F)F)CCCCC1 ZINC000379538168 359540685 /nfs/dbraw/zinc/54/06/85/359540685.db2.gz MYJOOAWEKSLVPE-UHFFFAOYSA-N 0 1 205.292 3.344 20 0 BGADMN CCC[C@@H](C)CN[C@@H]1CCCC1(F)F ZINC000379538289 538107078 /nfs/dbraw/zinc/10/70/78/538107078.db2.gz NBTQRUPTDJZULH-NXEZZACHSA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@H](C)CN[C@H]1CCCC1(F)F ZINC000379538290 538107176 /nfs/dbraw/zinc/10/71/76/538107176.db2.gz NBTQRUPTDJZULH-UWVGGRQHSA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@H](C)CN[C@@H]1CCCC1(F)F ZINC000379538291 538107200 /nfs/dbraw/zinc/10/72/00/538107200.db2.gz NBTQRUPTDJZULH-VHSXEESVSA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@@H](C)CN[C@H]1CCCC1(F)F ZINC000379538292 538107180 /nfs/dbraw/zinc/10/71/80/538107180.db2.gz NBTQRUPTDJZULH-ZJUUUORDSA-N 0 1 205.292 3.200 20 0 BGADMN CCCC[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000379544785 541449049 /nfs/dbraw/zinc/44/90/49/541449049.db2.gz VDELOOUZTHNSBX-NXEZZACHSA-N 0 1 205.292 3.343 20 0 BGADMN CCCC[C@H](C)N[C@H]1CCCC1(F)F ZINC000379544789 538978395 /nfs/dbraw/zinc/97/83/95/538978395.db2.gz VDELOOUZTHNSBX-UWVGGRQHSA-N 0 1 205.292 3.343 20 0 BGADMN CCCC[C@H](C)N[C@@H]1CCCC1(F)F ZINC000379544792 538978331 /nfs/dbraw/zinc/97/83/31/538978331.db2.gz VDELOOUZTHNSBX-VHSXEESVSA-N 0 1 205.292 3.343 20 0 BGADMN CCCC[C@@H](C)N[C@H]1CCCC1(F)F ZINC000379544794 538978200 /nfs/dbraw/zinc/97/82/00/538978200.db2.gz VDELOOUZTHNSBX-ZJUUUORDSA-N 0 1 205.292 3.343 20 0 BGADMN CCC[C@@H](CC)N[C@@H]1CCCC1(F)F ZINC000379563366 538978078 /nfs/dbraw/zinc/97/80/78/538978078.db2.gz AAJLHUNJIYXMCY-NXEZZACHSA-N 0 1 205.292 3.343 20 0 BGADMN CCC[C@H](CC)N[C@H]1CCCC1(F)F ZINC000379563367 538978296 /nfs/dbraw/zinc/97/82/96/538978296.db2.gz AAJLHUNJIYXMCY-UWVGGRQHSA-N 0 1 205.292 3.343 20 0 BGADMN CCC[C@H](CC)N[C@@H]1CCCC1(F)F ZINC000379563368 538978004 /nfs/dbraw/zinc/97/80/04/538978004.db2.gz AAJLHUNJIYXMCY-VHSXEESVSA-N 0 1 205.292 3.343 20 0 BGADMN CCC[C@@H](CC)N[C@H]1CCCC1(F)F ZINC000379563369 538978318 /nfs/dbraw/zinc/97/83/18/538978318.db2.gz AAJLHUNJIYXMCY-ZJUUUORDSA-N 0 1 205.292 3.343 20 0 BGADMN CCCC[C@@H](CC)NC1(C(F)F)CC1 ZINC000379566869 359545776 /nfs/dbraw/zinc/54/57/76/359545776.db2.gz CZMMTEVQBAXHBY-SECBINFHSA-N 0 1 205.292 3.343 20 0 BGADMN CCCC[C@H](CC)NC1(C(F)F)CC1 ZINC000379566888 359545832 /nfs/dbraw/zinc/54/58/32/359545832.db2.gz CZMMTEVQBAXHBY-VIFPVBQESA-N 0 1 205.292 3.343 20 0 BGADMN CC[C@@H](C)CNC1(C(F)F)CCCC1 ZINC000379574848 538107370 /nfs/dbraw/zinc/10/73/70/538107370.db2.gz LCFQTZIKUANJBG-SECBINFHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@H](C)CNC1(C(F)F)CCCC1 ZINC000379574849 538107375 /nfs/dbraw/zinc/10/73/75/538107375.db2.gz LCFQTZIKUANJBG-VIFPVBQESA-N 0 1 205.292 3.200 20 0 BGADMN CC(C)CCCN[C@H]1CCCC1(F)F ZINC000379575150 538978763 /nfs/dbraw/zinc/97/87/63/538978763.db2.gz LMDTULZPTBWVLR-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CC(C)CCCN[C@@H]1CCCC1(F)F ZINC000379575153 538978988 /nfs/dbraw/zinc/97/89/88/538978988.db2.gz LMDTULZPTBWVLR-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN C[C@H](CCC1CC1)NC(C)(C)C(F)F ZINC000379578021 538978894 /nfs/dbraw/zinc/97/88/94/538978894.db2.gz SIYXACFFNBLDQF-MRVPVSSYSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H](CCC1CC1)NC(C)(C)C(F)F ZINC000379578026 538978747 /nfs/dbraw/zinc/97/87/47/538978747.db2.gz SIYXACFFNBLDQF-QMMMGPOBSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H](NC(C)(C)C(F)F)[C@H]1CC1(C)C ZINC000379597681 566445059 /nfs/dbraw/zinc/44/50/59/566445059.db2.gz GSFCYUHUPISUPS-HTQZYQBOSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@H](NC(C)(C)C(F)F)[C@H]1CC1(C)C ZINC000379597683 538978551 /nfs/dbraw/zinc/97/85/51/538978551.db2.gz GSFCYUHUPISUPS-JGVFFNPUSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@@H](NC(C)(C)C(F)F)[C@@H]1CC1(C)C ZINC000379597687 538978914 /nfs/dbraw/zinc/97/89/14/538978914.db2.gz GSFCYUHUPISUPS-SFYZADRCSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@H](NC(C)(C)C(F)F)[C@@H]1CC1(C)C ZINC000379597700 538978684 /nfs/dbraw/zinc/97/86/84/538978684.db2.gz GSFCYUHUPISUPS-YUMQZZPRSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@@H](NCc1ncc(Cl)s1)C1(C)CC1 ZINC000379598961 712389835 /nfs/dbraw/zinc/38/98/35/712389835.db2.gz IKKUMBUBTJXHLU-SSDOTTSWSA-N 0 1 230.764 3.075 20 0 BGADMN CC(C)CC[C@@H](C)NC(C)(C)C(F)F ZINC000379612841 538978580 /nfs/dbraw/zinc/97/85/80/538978580.db2.gz WCOVLWQFPIUBHS-SECBINFHSA-N 0 1 207.308 3.444 20 0 BGADMN CC(C)CC[C@H](C)NC(C)(C)C(F)F ZINC000379612842 538107971 /nfs/dbraw/zinc/10/79/71/538107971.db2.gz WCOVLWQFPIUBHS-VIFPVBQESA-N 0 1 207.308 3.444 20 0 BGADMN CC(C)C[C@@H](C)CNC(C)(C)C(F)F ZINC000379615476 538978513 /nfs/dbraw/zinc/97/85/13/538978513.db2.gz YSINPXAGTWFGOS-SECBINFHSA-N 0 1 207.308 3.302 20 0 BGADMN CC(C)C[C@H](C)CNC(C)(C)C(F)F ZINC000379615478 538978852 /nfs/dbraw/zinc/97/88/52/538978852.db2.gz YSINPXAGTWFGOS-VIFPVBQESA-N 0 1 207.308 3.302 20 0 BGADMN C[C@H](CNC1(C(F)F)CC1)C(C)(C)C ZINC000379627704 538979258 /nfs/dbraw/zinc/97/92/58/538979258.db2.gz LBLMJFNFDJMIDI-MRVPVSSYSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H](CNC1(C(F)F)CC1)C(C)(C)C ZINC000379627705 538979224 /nfs/dbraw/zinc/97/92/24/538979224.db2.gz LBLMJFNFDJMIDI-QMMMGPOBSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H](CC1CCC1)NC(C)(C)C(F)F ZINC000379641315 538979248 /nfs/dbraw/zinc/97/92/48/538979248.db2.gz VFRFFLUCLSRLFD-MRVPVSSYSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H](CC1CCC1)NC(C)(C)C(F)F ZINC000379641316 538979481 /nfs/dbraw/zinc/97/94/81/538979481.db2.gz VFRFFLUCLSRLFD-QMMMGPOBSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@H](CNC(C)(C)C(F)F)C(C)(C)C ZINC000379650847 538108251 /nfs/dbraw/zinc/10/82/51/538108251.db2.gz FEWABORGLZQGSY-MRVPVSSYSA-N 0 1 207.308 3.302 20 0 BGADMN C[C@@H](CNC(C)(C)C(F)F)C(C)(C)C ZINC000379650848 538108255 /nfs/dbraw/zinc/10/82/55/538108255.db2.gz FEWABORGLZQGSY-QMMMGPOBSA-N 0 1 207.308 3.302 20 0 BGADMN CC[C@H](C)[C@@H](C)N[C@H]1CCCC1(F)F ZINC000379665806 538456012 /nfs/dbraw/zinc/45/60/12/538456012.db2.gz WRMCBSUFKIZQHW-AEJSXWLSSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](C)[C@H](C)N[C@H]1CCCC1(F)F ZINC000379665807 538456023 /nfs/dbraw/zinc/45/60/23/538456023.db2.gz WRMCBSUFKIZQHW-GUBZILKMSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](C)[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000379665808 538456015 /nfs/dbraw/zinc/45/60/15/538456015.db2.gz WRMCBSUFKIZQHW-IVZWLZJFSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](C)[C@H](C)N[C@@H]1CCCC1(F)F ZINC000379665809 538456001 /nfs/dbraw/zinc/45/60/01/538456001.db2.gz WRMCBSUFKIZQHW-LPEHRKFASA-N 0 1 205.292 3.198 20 0 BGADMN CC(C)CCOc1ccc(CNCCF)cc1 ZINC000379711417 361343015 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3.060 20 0 BGADMN CC[C@]1(NCc2ccsc2Cl)CCOC1 ZINC000379918383 538462067 /nfs/dbraw/zinc/46/20/67/538462067.db2.gz FJMCTAKYTXXZEW-NSHDSACASA-N 0 1 245.775 3.060 20 0 BGADMN C/C=C/CN[C@H](C)c1cccc(F)c1F ZINC000379927563 538982424 /nfs/dbraw/zinc/98/24/24/538982424.db2.gz MKYPAWLONWBSLK-CDAZIORVSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C/CN[C@@H](C)c1cccc(F)c1F ZINC000379927763 538981939 /nfs/dbraw/zinc/98/19/39/538981939.db2.gz MKYPAWLONWBSLK-NWALNABHSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C\CN[C@@H](C)c1cccc(F)c1F ZINC000379927764 538982017 /nfs/dbraw/zinc/98/20/17/538982017.db2.gz MKYPAWLONWBSLK-TYRPZCRBSA-N 0 1 211.255 3.192 20 0 BGADMN C/C=C\CN[C@H](C)c1cccc(F)c1F ZINC000379927765 538982060 /nfs/dbraw/zinc/98/20/60/538982060.db2.gz MKYPAWLONWBSLK-ZBJFTSOASA-N 0 1 211.255 3.192 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1csc(Cl)c1 ZINC000379946536 365757415 /nfs/dbraw/zinc/75/74/15/365757415.db2.gz QZROISDZOQJHNJ-FKTZTGRPSA-N 0 1 245.775 3.230 20 0 BGADMN 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ZINC000379957572 365763299 /nfs/dbraw/zinc/76/32/99/365763299.db2.gz GJMPHMGCIKHWPD-SNVBAGLBSA-N 0 1 224.735 3.066 20 0 BGADMN FC1(CN[C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000380012264 343669524 /nfs/dbraw/zinc/66/95/24/343669524.db2.gz SBSSYQYKUXLFBX-MRVPVSSYSA-N 0 1 245.750 3.481 20 0 BGADMN FC1(CN[C@H]2CCc3sc(Cl)cc32)CC1 ZINC000380012272 343669464 /nfs/dbraw/zinc/66/94/64/343669464.db2.gz SBSSYQYKUXLFBX-QMMMGPOBSA-N 0 1 245.750 3.481 20 0 BGADMN COCC1(NCc2cscc2Cl)CCC1 ZINC000380015621 638594611 /nfs/dbraw/zinc/59/46/11/638594611.db2.gz UBJIMJJDXPCCIR-UHFFFAOYSA-N 0 1 245.775 3.060 20 0 BGADMN CC(C)[C@@H](NC/C=C/Cl)c1ccccn1 ZINC000380067846 712684771 /nfs/dbraw/zinc/68/47/71/712684771.db2.gz CKAZRIQQUMXPRT-HOSRBBHYSA-N 0 1 224.735 3.121 20 0 BGADMN CC(C)[C@H](NC/C=C\Cl)c1ccccn1 ZINC000380067847 712684801 /nfs/dbraw/zinc/68/48/01/712684801.db2.gz CKAZRIQQUMXPRT-HWPRWLFBSA-N 0 1 224.735 3.121 20 0 BGADMN CC(C)[C@H](NC/C=C/Cl)c1ccccn1 ZINC000380067854 712685122 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IYPJZZUVBBUBSH-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CCCC[C@H]1CNC(C)(C)C(F)F ZINC000380091377 538984632 /nfs/dbraw/zinc/98/46/32/538984632.db2.gz IYPJZZUVBBUBSH-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CCC[C@@H](CNC(C)(C)C(F)F)C1 ZINC000380113341 538985130 /nfs/dbraw/zinc/98/51/30/538985130.db2.gz OVPVIZGVKANMDW-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CCC[C@H](CNC(C)(C)C(F)F)C1 ZINC000380113342 538985317 /nfs/dbraw/zinc/98/53/17/538985317.db2.gz OVPVIZGVKANMDW-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CCC[C@@H](CNC(C)(C)C(F)F)C1 ZINC000380113346 538985325 /nfs/dbraw/zinc/98/53/25/538985325.db2.gz OVPVIZGVKANMDW-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CCC[C@H](CNC(C)(C)C(F)F)C1 ZINC000380113602 538985585 /nfs/dbraw/zinc/98/55/85/538985585.db2.gz OVPVIZGVKANMDW-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN FC(F)CN[C@H]1CCCCC12CCCC2 ZINC000380138260 344695933 /nfs/dbraw/zinc/69/59/33/344695933.db2.gz VBAKABVICUYPJC-JTQLQIEISA-N 0 1 217.303 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/nfs/dbraw/zinc/46/61/55/538466155.db2.gz JLGVOLYFTYXJFN-WDEREUQCSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CC(C)(C)C[C@@H]1NC(C)(C)C(F)F ZINC000380331710 538989299 /nfs/dbraw/zinc/98/92/99/538989299.db2.gz OIKXQGPDAMPHEG-BDAKNGLRSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@H]1CC(C)(C)C[C@H]1NC(C)(C)C(F)F ZINC000380331715 538988985 /nfs/dbraw/zinc/98/89/85/538988985.db2.gz OIKXQGPDAMPHEG-DTWKUNHWSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@H]1CC(C)(C)C[C@@H]1NC(C)(C)C(F)F ZINC000380331717 538989393 /nfs/dbraw/zinc/98/93/93/538989393.db2.gz OIKXQGPDAMPHEG-IUCAKERBSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@@H]1CC(C)(C)C[C@H]1NC(C)(C)C(F)F ZINC000380331718 633070012 /nfs/dbraw/zinc/07/00/12/633070012.db2.gz OIKXQGPDAMPHEG-RKDXNWHRSA-N 0 1 219.319 3.444 20 0 BGADMN Fc1ccc(C2(NC/C=C\Cl)CC2)cc1 ZINC000380343688 712890610 /nfs/dbraw/zinc/89/06/10/712890610.db2.gz SLHRMWZZVPYHFV-QPIMQUGISA-N 0 1 225.694 3.157 20 0 BGADMN Fc1ccc(C2(NC/C=C/Cl)CC2)cc1 ZINC000380343689 712890364 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/nfs/dbraw/zinc/35/28/28/367352828.db2.gz JRKLWBSJAJUAMY-UHFFFAOYSA-N 0 1 239.388 3.076 20 0 BGADMN Cc1cc(CNCc2cncc(C)c2)cs1 ZINC000381130840 367354832 /nfs/dbraw/zinc/35/48/32/367354832.db2.gz HCRSYGAVCWGNJV-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN C[C@H](CCC1CCCC1)NCc1cocn1 ZINC000381169811 538995828 /nfs/dbraw/zinc/99/58/28/538995828.db2.gz SZXJAHMFHRCUGC-LLVKDONJSA-N 0 1 222.332 3.123 20 0 BGADMN C[C@@H](CCC1CCCC1)NCc1cocn1 ZINC000381169813 538995638 /nfs/dbraw/zinc/99/56/38/538995638.db2.gz SZXJAHMFHRCUGC-NSHDSACASA-N 0 1 222.332 3.123 20 0 BGADMN CC(C)c1cnc(CN[C@@H]2CCC[C@H]2C)o1 ZINC000381232965 710610391 /nfs/dbraw/zinc/61/03/91/710610391.db2.gz LGBBOMRJZMPUOF-GHMZBOCLSA-N 0 1 222.332 3.076 20 0 BGADMN CC(C)c1cnc(CN[C@H]2CCC[C@H]2C)o1 ZINC000381233300 710610349 /nfs/dbraw/zinc/61/03/49/710610349.db2.gz LGBBOMRJZMPUOF-MNOVXSKESA-N 0 1 222.332 3.076 20 0 BGADMN CC(C)c1cnc(CN[C@H]2CCC[C@@H]2C)o1 ZINC000381233309 710610995 /nfs/dbraw/zinc/61/09/95/710610995.db2.gz LGBBOMRJZMPUOF-QWRGUYRKSA-N 0 1 222.332 3.076 20 0 BGADMN CC(C)c1cnc(CN[C@@H]2CCC[C@@H]2C)o1 ZINC000381233310 710610853 /nfs/dbraw/zinc/61/08/53/710610853.db2.gz LGBBOMRJZMPUOF-WDEREUQCSA-N 0 1 222.332 3.076 20 0 BGADMN C[C@@H](NCc1ccc(F)nc1)c1ccsc1 ZINC000381240363 710611568 /nfs/dbraw/zinc/61/15/68/710611568.db2.gz MXNWJPUUFORNGE-SECBINFHSA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NCc1ccc(F)nc1)c1ccsc1 ZINC000381240365 710611725 /nfs/dbraw/zinc/61/17/25/710611725.db2.gz MXNWJPUUFORNGE-VIFPVBQESA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NC/C=C\Cl)c1ccc(C#N)cc1F ZINC000381265201 710614949 /nfs/dbraw/zinc/61/49/49/710614949.db2.gz TYKWMVXTYDAIQD-ANTNXHBISA-N 0 1 238.693 3.100 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1ccc(C#N)cc1F ZINC000381265204 710614739 /nfs/dbraw/zinc/61/47/39/710614739.db2.gz TYKWMVXTYDAIQD-JHYPKJRRSA-N 0 1 238.693 3.100 20 0 BGADMN C[C@H](NC/C=C/Cl)c1ccc(C#N)cc1F ZINC000381265206 710614494 /nfs/dbraw/zinc/61/44/94/710614494.db2.gz TYKWMVXTYDAIQD-MAHOQKISSA-N 0 1 238.693 3.100 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1ccc(C#N)cc1F ZINC000381265227 710614795 /nfs/dbraw/zinc/61/47/95/710614795.db2.gz TYKWMVXTYDAIQD-OSOUNJMWSA-N 0 1 238.693 3.100 20 0 BGADMN Cc1sccc1CNCc1cccc(C)n1 ZINC000381286802 367374591 /nfs/dbraw/zinc/37/45/91/367374591.db2.gz ZPRRIRAMAYUOMU-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN CC(C)=CCC[C@@H](C)NCc1ncc(C)o1 ZINC000381293707 538997524 /nfs/dbraw/zinc/99/75/24/538997524.db2.gz FJMMCCJLUFHZGS-LLVKDONJSA-N 0 1 222.332 3.208 20 0 BGADMN CC(C)=CCC[C@H](C)NCc1ncc(C)o1 ZINC000381293712 538997833 /nfs/dbraw/zinc/99/78/33/538997833.db2.gz FJMMCCJLUFHZGS-NSHDSACASA-N 0 1 222.332 3.208 20 0 BGADMN C[C@@H](NCCC1CCCCC1)c1ccon1 ZINC000381307828 345281902 /nfs/dbraw/zinc/28/19/02/345281902.db2.gz KJPFUXYHXSVZRU-LLVKDONJSA-N 0 1 222.332 3.296 20 0 BGADMN C[C@H](NCCC1CCCCC1)c1ccon1 ZINC000381307836 345282063 /nfs/dbraw/zinc/28/20/63/345282063.db2.gz KJPFUXYHXSVZRU-NSHDSACASA-N 0 1 222.332 3.296 20 0 BGADMN Cc1cc(CN[C@H](C)c2cncs2)cs1 ZINC000381333065 710623808 /nfs/dbraw/zinc/62/38/08/710623808.db2.gz ZLFQVTQQYNRYRN-SECBINFHSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1cc(CN[C@@H](C)c2cncs2)cs1 ZINC000381333068 710623801 /nfs/dbraw/zinc/62/38/01/710623801.db2.gz ZLFQVTQQYNRYRN-VIFPVBQESA-N 0 1 238.381 3.364 20 0 BGADMN CC[C@@H](C)[C@@H](C)NCc1ncc(C(C)C)o1 ZINC000381348232 710624699 /nfs/dbraw/zinc/62/46/99/710624699.db2.gz ZQUAQPXOYWYTGP-GHMZBOCLSA-N 0 1 224.348 3.322 20 0 BGADMN CC[C@@H](C)[C@H](C)NCc1ncc(C(C)C)o1 ZINC000381348233 710625564 /nfs/dbraw/zinc/62/55/64/710625564.db2.gz ZQUAQPXOYWYTGP-MNOVXSKESA-N 0 1 224.348 3.322 20 0 BGADMN CC[C@H](C)[C@H](C)NCc1ncc(C(C)C)o1 ZINC000381348234 710625722 /nfs/dbraw/zinc/62/57/22/710625722.db2.gz ZQUAQPXOYWYTGP-QWRGUYRKSA-N 0 1 224.348 3.322 20 0 BGADMN CC[C@H](C)[C@@H](C)NCc1ncc(C(C)C)o1 ZINC000381348235 710625548 /nfs/dbraw/zinc/62/55/48/710625548.db2.gz ZQUAQPXOYWYTGP-WDEREUQCSA-N 0 1 224.348 3.322 20 0 BGADMN Cc1ccoc1CNC(C)(C)CC(F)(F)F ZINC000381378040 538999088 /nfs/dbraw/zinc/99/90/88/538999088.db2.gz KKUABBLUCWMTGV-UHFFFAOYSA-N 0 1 235.249 3.409 20 0 BGADMN Cc1cc([C@@H](C)N[C@H](C)c2cn[nH]c2)cs1 ZINC000381393421 367393912 /nfs/dbraw/zinc/39/39/12/367393912.db2.gz SRNUGVOIGFKWJL-NXEZZACHSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1cc([C@H](C)N[C@@H](C)c2cn[nH]c2)cs1 ZINC000381393423 367393905 /nfs/dbraw/zinc/39/39/05/367393905.db2.gz SRNUGVOIGFKWJL-UWVGGRQHSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1cc([C@H](C)N[C@H](C)c2cn[nH]c2)cs1 ZINC000381393425 345794893 /nfs/dbraw/zinc/79/48/93/345794893.db2.gz SRNUGVOIGFKWJL-VHSXEESVSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cs1 ZINC000381393427 367394030 /nfs/dbraw/zinc/39/40/30/367394030.db2.gz SRNUGVOIGFKWJL-ZJUUUORDSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1cc(CNCc2cccc(O)c2)cs1 ZINC000381394326 345795304 /nfs/dbraw/zinc/79/53/04/345795304.db2.gz OJJSKBFGWRLGDZ-UHFFFAOYSA-N 0 1 233.336 3.052 20 0 BGADMN CCc1cnc(CN[C@H](CC)C(C)(C)C)o1 ZINC000381403775 367395212 /nfs/dbraw/zinc/39/52/12/367395212.db2.gz RTOUTRLVEUSPJQ-LLVKDONJSA-N 0 1 224.348 3.151 20 0 BGADMN CCc1cnc(CN[C@@H](CC)C(C)(C)C)o1 ZINC000381403777 367394777 /nfs/dbraw/zinc/39/47/77/367394777.db2.gz RTOUTRLVEUSPJQ-NSHDSACASA-N 0 1 224.348 3.151 20 0 BGADMN c1nc(CNCCC2CCCCCC2)co1 ZINC000381403888 538109699 /nfs/dbraw/zinc/10/96/99/538109699.db2.gz QTSOUIZOVNIKEP-UHFFFAOYSA-N 0 1 222.332 3.125 20 0 BGADMN C[C@@H](NCc1cccnc1F)c1cccs1 ZINC000381443004 710637248 /nfs/dbraw/zinc/63/72/48/710637248.db2.gz FGZJWTASPHYIDR-SECBINFHSA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NCc1cccnc1F)c1cccs1 ZINC000381443016 710637232 /nfs/dbraw/zinc/63/72/32/710637232.db2.gz FGZJWTASPHYIDR-VIFPVBQESA-N 0 1 236.315 3.133 20 0 BGADMN CC1(C)CC(NCc2csc(C3CC3)n2)C1 ZINC000381451315 344507345 /nfs/dbraw/zinc/50/73/45/344507345.db2.gz HJJYMJHEZJAYSU-UHFFFAOYSA-N 0 1 236.384 3.299 20 0 BGADMN CC(C)c1nc(CNC2(C3CC3)CC2)cs1 ZINC000381477140 367415298 /nfs/dbraw/zinc/41/52/98/367415298.db2.gz RGEUOLQOCDHKNK-UHFFFAOYSA-N 0 1 236.384 3.299 20 0 BGADMN C[C@H]1C[C@H]1CNc1cc2c(cn1)CCCC2 ZINC000381484036 367416212 /nfs/dbraw/zinc/41/62/12/367416212.db2.gz UNIGDBKBWFJVJO-GWCFXTLKSA-N 0 1 216.328 3.028 20 0 BGADMN C[C@H]1C[C@@H]1CNc1cc2c(cn1)CCCC2 ZINC000381484037 367416358 /nfs/dbraw/zinc/41/63/58/367416358.db2.gz UNIGDBKBWFJVJO-GXFFZTMASA-N 0 1 216.328 3.028 20 0 BGADMN C[C@@H]1C[C@H]1CNc1cc2c(cn1)CCCC2 ZINC000381484123 346034242 /nfs/dbraw/zinc/03/42/42/346034242.db2.gz UNIGDBKBWFJVJO-MFKMUULPSA-N 0 1 216.328 3.028 20 0 BGADMN C[C@@H]1C[C@@H]1CNc1cc2c(cn1)CCCC2 ZINC000381484124 346034102 /nfs/dbraw/zinc/03/41/02/346034102.db2.gz UNIGDBKBWFJVJO-ZWNOBZJWSA-N 0 1 216.328 3.028 20 0 BGADMN C[C@H](CCC(F)(F)F)N[C@@H]1CCCC1(F)F ZINC000381487601 539002242 /nfs/dbraw/zinc/00/22/42/539002242.db2.gz VYKMDHPTSXABKH-HTQZYQBOSA-N 0 1 245.235 3.495 20 0 BGADMN C[C@@H](CCC(F)(F)F)N[C@@H]1CCCC1(F)F ZINC000381487604 539002270 /nfs/dbraw/zinc/00/22/70/539002270.db2.gz VYKMDHPTSXABKH-JGVFFNPUSA-N 0 1 245.235 3.495 20 0 BGADMN C[C@H](CCC(F)(F)F)N[C@H]1CCCC1(F)F ZINC000381487606 539002283 /nfs/dbraw/zinc/00/22/83/539002283.db2.gz VYKMDHPTSXABKH-SFYZADRCSA-N 0 1 245.235 3.495 20 0 BGADMN C[C@@H](CCC(F)(F)F)N[C@H]1CCCC1(F)F ZINC000381487610 539002343 /nfs/dbraw/zinc/00/23/43/539002343.db2.gz VYKMDHPTSXABKH-YUMQZZPRSA-N 0 1 245.235 3.495 20 0 BGADMN Cc1nccc(N[C@@H]2CCC(F)(F)C2)c1Cl ZINC000381497151 539002289 /nfs/dbraw/zinc/00/22/89/539002289.db2.gz BXIMAJUMRUSXIJ-MRVPVSSYSA-N 0 1 246.688 3.065 20 0 BGADMN Cc1nccc(N[C@H]2CCC(F)(F)C2)c1Cl ZINC000381497157 539002171 /nfs/dbraw/zinc/00/21/71/539002171.db2.gz BXIMAJUMRUSXIJ-QMMMGPOBSA-N 0 1 246.688 3.065 20 0 BGADMN C/C=C/CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000381531298 539003211 /nfs/dbraw/zinc/00/32/11/539003211.db2.gz ZDCANZCGQKKQIH-FSIBCCDJSA-N 0 1 236.384 3.249 20 0 BGADMN C/C=C/CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000381531299 539003232 /nfs/dbraw/zinc/00/32/32/539003232.db2.gz ZDCANZCGQKKQIH-HMDXOVGESA-N 0 1 236.384 3.249 20 0 BGADMN C/C=C\CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000381531300 539003430 /nfs/dbraw/zinc/00/34/30/539003430.db2.gz ZDCANZCGQKKQIH-UMBAGQNISA-N 0 1 236.384 3.249 20 0 BGADMN C/C=C\CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000381531301 539003222 /nfs/dbraw/zinc/00/32/22/539003222.db2.gz ZDCANZCGQKKQIH-XOULXFPDSA-N 0 1 236.384 3.249 20 0 BGADMN Cc1nc([C@@H](C)N[C@H]2CCC(F)(F)C2)cs1 ZINC000381536787 539003106 /nfs/dbraw/zinc/00/31/06/539003106.db2.gz HAVAFZQQWQPYHK-APPZFPTMSA-N 0 1 246.326 3.290 20 0 BGADMN Cc1nc([C@H](C)N[C@H]2CCC(F)(F)C2)cs1 ZINC000381536789 539003406 /nfs/dbraw/zinc/00/34/06/539003406.db2.gz HAVAFZQQWQPYHK-CBAPKCEASA-N 0 1 246.326 3.290 20 0 BGADMN Cc1nc([C@H](C)N[C@@H]2CCC(F)(F)C2)cs1 ZINC000381536790 539003327 /nfs/dbraw/zinc/00/33/27/539003327.db2.gz HAVAFZQQWQPYHK-IONNQARKSA-N 0 1 246.326 3.290 20 0 BGADMN Cc1nc([C@@H](C)N[C@@H]2CCC(F)(F)C2)cs1 ZINC000381536792 539003153 /nfs/dbraw/zinc/00/31/53/539003153.db2.gz HAVAFZQQWQPYHK-VXNVDRBHSA-N 0 1 246.326 3.290 20 0 BGADMN CCC(CC)(CC)CNCc1ncc(C)o1 ZINC000381548153 539003612 /nfs/dbraw/zinc/00/36/12/539003612.db2.gz LFIQBCJUOCXFOW-UHFFFAOYSA-N 0 1 224.348 3.289 20 0 BGADMN CSc1cc(C)ccc1CNCC1(F)CC1 ZINC000381559914 346350163 /nfs/dbraw/zinc/35/01/63/346350163.db2.gz QTCZFLPGYIWFCH-UHFFFAOYSA-N 0 1 239.359 3.309 20 0 BGADMN CSc1ccc(F)cc1CNCC1(F)CC1 ZINC000381564627 487552840 /nfs/dbraw/zinc/55/28/40/487552840.db2.gz STNBIHLJLZNNGW-UHFFFAOYSA-N 0 1 243.322 3.139 20 0 BGADMN C[C@@H](NC[C@@H]1CCCC1(F)F)c1nccs1 ZINC000381578493 367432200 /nfs/dbraw/zinc/43/22/00/367432200.db2.gz BFJNWEIGVDEXGR-BDAKNGLRSA-N 0 1 246.326 3.229 20 0 BGADMN C[C@H](NC[C@H]1CCCC1(F)F)c1nccs1 ZINC000381578495 367432518 /nfs/dbraw/zinc/43/25/18/367432518.db2.gz BFJNWEIGVDEXGR-DTWKUNHWSA-N 0 1 246.326 3.229 20 0 BGADMN C[C@H](NC[C@@H]1CCCC1(F)F)c1nccs1 ZINC000381578496 367431969 /nfs/dbraw/zinc/43/19/69/367431969.db2.gz BFJNWEIGVDEXGR-IUCAKERBSA-N 0 1 246.326 3.229 20 0 BGADMN C[C@@H](NC[C@H]1CCCC1(F)F)c1nccs1 ZINC000381578497 367432190 /nfs/dbraw/zinc/43/21/90/367432190.db2.gz BFJNWEIGVDEXGR-RKDXNWHRSA-N 0 1 246.326 3.229 20 0 BGADMN CC[C@@H](NC1CSC1)c1cc(F)ccc1F ZINC000381595198 539004852 /nfs/dbraw/zinc/00/48/52/539004852.db2.gz LHSRPKVANDJYNM-GFCCVEGCSA-N 0 1 243.322 3.121 20 0 BGADMN CC[C@H](NC1CSC1)c1cc(F)ccc1F ZINC000381595201 539004532 /nfs/dbraw/zinc/00/45/32/539004532.db2.gz LHSRPKVANDJYNM-LBPRGKRZSA-N 0 1 243.322 3.121 20 0 BGADMN FC1(CN[C@@H]2CCSc3ccccc32)CC1 ZINC000381619646 367438896 /nfs/dbraw/zinc/43/88/96/367438896.db2.gz YBEHJWJZDQIZIQ-LLVKDONJSA-N 0 1 237.343 3.315 20 0 BGADMN FC1(CN[C@H]2CCSc3ccccc32)CC1 ZINC000381619649 346449419 /nfs/dbraw/zinc/44/94/19/346449419.db2.gz YBEHJWJZDQIZIQ-NSHDSACASA-N 0 1 237.343 3.315 20 0 BGADMN FC1(CNCc2cc3ccccc3o2)CC1 ZINC000381627343 367440785 /nfs/dbraw/zinc/44/07/85/367440785.db2.gz MIUHWMANRFHDRE-UHFFFAOYSA-N 0 1 219.259 3.025 20 0 BGADMN Cc1cc([C@H](C)NCCCC(C)(C)C)no1 ZINC000381648744 344530351 /nfs/dbraw/zinc/53/03/51/344530351.db2.gz CJZRPEXTBSJQPV-NSHDSACASA-N 0 1 224.348 3.460 20 0 BGADMN Cc1nc2c(n1CC1(C)CCC1)CCCC2 ZINC000381676011 487518819 /nfs/dbraw/zinc/51/88/19/487518819.db2.gz XJLUZSTVUJROMJ-UHFFFAOYSA-N 0 1 218.344 3.261 20 0 BGADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc[nH]2)s1 ZINC000381726288 710685953 /nfs/dbraw/zinc/68/59/53/710685953.db2.gz MOCKVMLGRICUHQ-BDAKNGLRSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc[nH]2)s1 ZINC000381726298 710685636 /nfs/dbraw/zinc/68/56/36/710685636.db2.gz MOCKVMLGRICUHQ-DTWKUNHWSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1ncc([C@H](C)N[C@@H](C)c2ccc[nH]2)s1 ZINC000381726312 710687119 /nfs/dbraw/zinc/68/71/19/710687119.db2.gz MOCKVMLGRICUHQ-IUCAKERBSA-N 0 1 235.356 3.191 20 0 BGADMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc[nH]2)s1 ZINC000381726320 710687193 /nfs/dbraw/zinc/68/71/93/710687193.db2.gz MOCKVMLGRICUHQ-RKDXNWHRSA-N 0 1 235.356 3.191 20 0 BGADMN C[C@H](Cc1ccoc1)N[C@H](C)c1cscn1 ZINC000381780744 367457108 /nfs/dbraw/zinc/45/71/08/367457108.db2.gz XWJJPIPAIXZOFH-NXEZZACHSA-N 0 1 236.340 3.018 20 0 BGADMN C[C@@H](Cc1ccoc1)N[C@@H](C)c1cscn1 ZINC000381780751 367456844 /nfs/dbraw/zinc/45/68/44/367456844.db2.gz XWJJPIPAIXZOFH-UWVGGRQHSA-N 0 1 236.340 3.018 20 0 BGADMN C[C@@H](N[C@@H](C)Cc1ccoc1)c1cscn1 ZINC000381780758 367456988 /nfs/dbraw/zinc/45/69/88/367456988.db2.gz XWJJPIPAIXZOFH-VHSXEESVSA-N 0 1 236.340 3.018 20 0 BGADMN C[C@H](Cc1ccoc1)N[C@@H](C)c1cscn1 ZINC000381780762 346857255 /nfs/dbraw/zinc/85/72/55/346857255.db2.gz XWJJPIPAIXZOFH-ZJUUUORDSA-N 0 1 236.340 3.018 20 0 BGADMN FC(F)C1(NC[C@@H]2CCSC2)CCCCC1 ZINC000381837942 367462389 /nfs/dbraw/zinc/46/23/89/367462389.db2.gz PJTPEHWMSBSOIU-JTQLQIEISA-N 0 1 249.370 3.297 20 0 BGADMN FC(F)C1(NC[C@H]2CCSC2)CCCCC1 ZINC000381837944 367462486 /nfs/dbraw/zinc/46/24/86/367462486.db2.gz PJTPEHWMSBSOIU-SNVBAGLBSA-N 0 1 249.370 3.297 20 0 BGADMN C[N@@H+](Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000381945397 398255201 /nfs/dbraw/zinc/25/52/01/398255201.db2.gz YOJQORQTZAFGAA-UHFFFAOYSA-N 0 1 227.735 3.276 20 0 BGADMN C[N@H+](Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000381945397 398255196 /nfs/dbraw/zinc/25/51/96/398255196.db2.gz YOJQORQTZAFGAA-UHFFFAOYSA-N 0 1 227.735 3.276 20 0 BGADMN C[C@@H](NCC(C)(F)F)C1C(C)(C)C1(C)C ZINC000382005291 367478134 /nfs/dbraw/zinc/47/81/34/367478134.db2.gz AUMKROBJUNKGFP-MRVPVSSYSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@H](NCC(C)(F)F)C1C(C)(C)C1(C)C ZINC000382005296 367478577 /nfs/dbraw/zinc/47/85/77/367478577.db2.gz AUMKROBJUNKGFP-QMMMGPOBSA-N 0 1 219.319 3.302 20 0 BGADMN Cc1cc(Cl)cc(CNC(C)(C)CF)c1 ZINC000382038360 347094073 /nfs/dbraw/zinc/09/40/73/347094073.db2.gz WONQUVCPSCDKMD-UHFFFAOYSA-N 0 1 229.726 3.486 20 0 BGADMN CCc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)o1 ZINC000382044123 367481493 /nfs/dbraw/zinc/48/14/93/367481493.db2.gz JWVKWSKDMSOSQA-JEZHCXPESA-N 0 1 229.270 3.146 20 0 BGADMN CC(C)[C@@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000382045785 367481698 /nfs/dbraw/zinc/48/16/98/367481698.db2.gz ZFDGKOMQCQBDMN-JTQLQIEISA-N 0 1 241.762 3.427 20 0 BGADMN CC(C)[C@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000382045787 367481865 /nfs/dbraw/zinc/48/18/65/367481865.db2.gz ZFDGKOMQCQBDMN-SNVBAGLBSA-N 0 1 241.762 3.427 20 0 BGADMN [O-]c1cccc(C[NH2+]C2CCCCC2)c1Cl ZINC000382054763 347116036 /nfs/dbraw/zinc/11/60/36/347116036.db2.gz NYCWDUJORWOAMB-UHFFFAOYSA-N 0 1 239.746 3.468 20 0 BGADMN CC(C)CCC[C@H](C)NCC(C)(F)F ZINC000382096023 367485576 /nfs/dbraw/zinc/48/55/76/367485576.db2.gz DSKSJLUFEMLERF-JTQLQIEISA-N 0 1 207.308 3.446 20 0 BGADMN CC(C)CCC[C@@H](C)NCC(C)(F)F ZINC000382096025 367485269 /nfs/dbraw/zinc/48/52/69/367485269.db2.gz DSKSJLUFEMLERF-SNVBAGLBSA-N 0 1 207.308 3.446 20 0 BGADMN Cc1cc([C@@H](C)N[C@H]2CCC[C@H]2F)c(C)o1 ZINC000382096086 367485491 /nfs/dbraw/zinc/48/54/91/367485491.db2.gz DSWYYTNFQGATCS-WQAKAFBOSA-N 0 1 225.307 3.438 20 0 BGADMN CC[C@@H]1CC[C@H](C)C[C@@H]1NCC(C)(F)F ZINC000382098512 347165505 /nfs/dbraw/zinc/16/55/05/347165505.db2.gz FPLPWSNYMFWCFC-AXFHLTTASA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1CC[C@@H](C)C[C@H]1NCC(C)(F)F ZINC000382098516 347165615 /nfs/dbraw/zinc/16/56/15/347165615.db2.gz FPLPWSNYMFWCFC-GMTAPVOTSA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1CC[C@H](C)C[C@H]1NCC(C)(F)F ZINC000382098518 347166068 /nfs/dbraw/zinc/16/60/68/347166068.db2.gz FPLPWSNYMFWCFC-HBNTYKKESA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCC(C)(F)F ZINC000382098521 347165776 /nfs/dbraw/zinc/16/57/76/347165776.db2.gz FPLPWSNYMFWCFC-MXWKQRLJSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1F ZINC000382099262 347166462 /nfs/dbraw/zinc/16/64/62/347166462.db2.gz GANRTBUYBITOBV-JIMOISOXSA-N 0 1 225.282 3.367 20 0 BGADMN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)o1 ZINC000382100743 367485953 /nfs/dbraw/zinc/48/59/53/367485953.db2.gz GMKVSPWVVLWTNP-MXWKQRLJSA-N 0 1 211.280 3.129 20 0 BGADMN CCC1CCC(NCC(C)(F)F)CC1 ZINC000382111662 347187728 /nfs/dbraw/zinc/18/77/28/347187728.db2.gz KQHDETOETXIQTG-UHFFFAOYSA-N 0 1 205.292 3.200 20 0 BGADMN CC(F)(F)CNC1CCC(C(F)F)CC1 ZINC000382112676 367486783 /nfs/dbraw/zinc/48/67/83/367486783.db2.gz LCDOONYCBYGQLG-UHFFFAOYSA-N 0 1 227.245 3.055 20 0 BGADMN C[C@@H](NCC(F)F)[C@H]1CC2CCC1CC2 ZINC000382137971 398306535 /nfs/dbraw/zinc/30/65/35/398306535.db2.gz NHUZLDCVLNQQOX-AGVGLQIMSA-N 0 1 217.303 3.056 20 0 BGADMN C[C@H](NCC(F)F)[C@H]1CC2CCC1CC2 ZINC000382137982 398306722 /nfs/dbraw/zinc/30/67/22/398306722.db2.gz NHUZLDCVLNQQOX-IDWGSYCQSA-N 0 1 217.303 3.056 20 0 BGADMN C[C@H](NCC(F)F)[C@@H]1CC2CCC1CC2 ZINC000382137988 398306548 /nfs/dbraw/zinc/30/65/48/398306548.db2.gz NHUZLDCVLNQQOX-PMUOWJKOSA-N 0 1 217.303 3.056 20 0 BGADMN C[C@@H](NCC(F)F)[C@@H]1CC2CCC1CC2 ZINC000382137993 398306609 /nfs/dbraw/zinc/30/66/09/398306609.db2.gz NHUZLDCVLNQQOX-SFXRXQKFSA-N 0 1 217.303 3.056 20 0 BGADMN CN(CC(=O)c1c[nH]c2ccccc12)C(C)(C)C ZINC000382139887 398307367 /nfs/dbraw/zinc/30/73/67/398307367.db2.gz PUMWODSYTGOJSD-UHFFFAOYSA-N 0 1 244.338 3.081 20 0 BGADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C1(C)CC1 ZINC000382161085 710801286 /nfs/dbraw/zinc/80/12/86/710801286.db2.gz SSEWFHRASPIAPO-SECBINFHSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@H]([NH2+]Cc1cccc([O-])c1Cl)C1(C)CC1 ZINC000382161089 710800825 /nfs/dbraw/zinc/80/08/25/710800825.db2.gz SSEWFHRASPIAPO-VIFPVBQESA-N 0 1 239.746 3.324 20 0 BGADMN CC(C)C(CNCC(C)(F)F)C(C)C ZINC000382175538 367493705 /nfs/dbraw/zinc/49/37/05/367493705.db2.gz XTEDDRZLEKVNSA-UHFFFAOYSA-N 0 1 207.308 3.159 20 0 BGADMN Cc1nc([C@@H](C)NCCC(C)(F)F)c(C)s1 ZINC000382184376 397918850 /nfs/dbraw/zinc/91/88/50/397918850.db2.gz PLRZQMXYNIZZCY-SSDOTTSWSA-N 0 1 248.342 3.456 20 0 BGADMN Cc1nc([C@H](C)NCCC(C)(F)F)c(C)s1 ZINC000382184387 397875580 /nfs/dbraw/zinc/87/55/80/397875580.db2.gz PLRZQMXYNIZZCY-ZETCQYMHSA-N 0 1 248.342 3.456 20 0 BGADMN Cc1ncc([C@@H](C)N[C@@H]2CCCC[C@H]2F)s1 ZINC000382189409 487534539 /nfs/dbraw/zinc/53/45/39/487534539.db2.gz CBVSAZAAZDQFFU-FBIMIBRVSA-N 0 1 242.363 3.383 20 0 BGADMN Cc1ncc([C@H](C)N[C@@H]2CCCC[C@H]2F)s1 ZINC000382189463 487534792 /nfs/dbraw/zinc/53/47/92/487534792.db2.gz CBVSAZAAZDQFFU-JMJZKYOTSA-N 0 1 242.363 3.383 20 0 BGADMN C[C@H](CCCC(F)(F)F)NCC(C)(F)F ZINC000382200961 367497745 /nfs/dbraw/zinc/49/77/45/367497745.db2.gz FBKUXQRVPWRNHC-SSDOTTSWSA-N 0 1 233.224 3.352 20 0 BGADMN C[C@@H](CCCC(F)(F)F)NCC(C)(F)F ZINC000382200965 367498184 /nfs/dbraw/zinc/49/81/84/367498184.db2.gz FBKUXQRVPWRNHC-ZETCQYMHSA-N 0 1 233.224 3.352 20 0 BGADMN C[C@H]([NH2+]Cc1cccc([O-])c1Cl)C1CCC1 ZINC000382211053 397921312 /nfs/dbraw/zinc/92/13/12/397921312.db2.gz LCZJNMWPQAVFMK-VIFPVBQESA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H](N[C@@H](C)C(F)F)[C@H]1CC2CCC1CC2 ZINC000382237948 711665130 /nfs/dbraw/zinc/66/51/30/711665130.db2.gz VWJCLIYEJXENRN-FESBJMALSA-N 0 1 231.330 3.444 20 0 BGADMN C[C@H](N[C@@H](C)[C@@H]1CC2CCC1CC2)C(F)F ZINC000382237956 711665141 /nfs/dbraw/zinc/66/51/41/711665141.db2.gz VWJCLIYEJXENRN-HLHREWCQSA-N 0 1 231.330 3.444 20 0 BGADMN C[C@H](N[C@@H](C)[C@H]1CC2CCC1CC2)C(F)F ZINC000382237964 711665097 /nfs/dbraw/zinc/66/50/97/711665097.db2.gz VWJCLIYEJXENRN-KCULMAPZSA-N 0 1 231.330 3.444 20 0 BGADMN C[C@@H](N[C@@H](C)C(F)F)[C@@H]1CC2CCC1CC2 ZINC000382237969 711665101 /nfs/dbraw/zinc/66/51/01/711665101.db2.gz VWJCLIYEJXENRN-SGCDDIOWSA-N 0 1 231.330 3.444 20 0 BGADMN CC(C)[C@H]1CCCC[C@H]1NCC(C)(F)F ZINC000382291458 397880035 /nfs/dbraw/zinc/88/00/35/397880035.db2.gz LBKIRMZBHPLQNO-GHMZBOCLSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@H]1CCCC[C@@H]1NCC(C)(F)F ZINC000382291460 397931736 /nfs/dbraw/zinc/93/17/36/397931736.db2.gz LBKIRMZBHPLQNO-MNOVXSKESA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@@H]1CCCC[C@@H]1NCC(C)(F)F ZINC000382291461 397931928 /nfs/dbraw/zinc/93/19/28/397931928.db2.gz LBKIRMZBHPLQNO-QWRGUYRKSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)[C@@H]1CCCC[C@H]1NCC(C)(F)F ZINC000382291467 397932000 /nfs/dbraw/zinc/93/20/00/397932000.db2.gz LBKIRMZBHPLQNO-WDEREUQCSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccccn1 ZINC000382302838 347267527 /nfs/dbraw/zinc/26/75/27/347267527.db2.gz NYYAUTQJDLEDJV-DMDPSCGWSA-N 0 1 222.307 3.013 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccccn1 ZINC000382302839 347267260 /nfs/dbraw/zinc/26/72/60/347267260.db2.gz NYYAUTQJDLEDJV-NQBHXWOUSA-N 0 1 222.307 3.013 20 0 BGADMN CC1=C[C@H](C)C[C@@H](CNCC(C)(F)F)C1 ZINC000382312879 347272236 /nfs/dbraw/zinc/27/22/36/347272236.db2.gz QPGHTBPIAGXAIE-GXSJLCMTSA-N 0 1 217.303 3.224 20 0 BGADMN CC1=C[C@@H](C)C[C@H](CNCC(C)(F)F)C1 ZINC000382312880 347272416 /nfs/dbraw/zinc/27/24/16/347272416.db2.gz QPGHTBPIAGXAIE-KOLCDFICSA-N 0 1 217.303 3.224 20 0 BGADMN CC1=C[C@@H](C)C[C@@H](CNCC(C)(F)F)C1 ZINC000382312881 347272405 /nfs/dbraw/zinc/27/24/05/347272405.db2.gz QPGHTBPIAGXAIE-MWLCHTKSSA-N 0 1 217.303 3.224 20 0 BGADMN CC1=C[C@H](C)C[C@H](CNCC(C)(F)F)C1 ZINC000382312883 347272623 /nfs/dbraw/zinc/27/26/23/347272623.db2.gz QPGHTBPIAGXAIE-ONGXEEELSA-N 0 1 217.303 3.224 20 0 BGADMN CC[C@@H](C)C[C@@H](CC)NCC(C)(F)F ZINC000382328341 350109619 /nfs/dbraw/zinc/10/96/19/350109619.db2.gz VUVJOPFDJOICMB-NXEZZACHSA-N 0 1 207.308 3.446 20 0 BGADMN CC[C@H](C)C[C@H](CC)NCC(C)(F)F ZINC000382328342 350109512 /nfs/dbraw/zinc/10/95/12/350109512.db2.gz VUVJOPFDJOICMB-UWVGGRQHSA-N 0 1 207.308 3.446 20 0 BGADMN CC[C@H](C[C@@H](C)CC)NCC(C)(F)F ZINC000382328343 350109792 /nfs/dbraw/zinc/10/97/92/350109792.db2.gz VUVJOPFDJOICMB-VHSXEESVSA-N 0 1 207.308 3.446 20 0 BGADMN CC[C@@H](C)C[C@H](CC)NCC(C)(F)F ZINC000382328344 350109751 /nfs/dbraw/zinc/10/97/51/350109751.db2.gz VUVJOPFDJOICMB-ZJUUUORDSA-N 0 1 207.308 3.446 20 0 BGADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cn1 ZINC000382340336 367509080 /nfs/dbraw/zinc/50/90/80/367509080.db2.gz ZKJILIUPEQGWBY-PMVVWTBXSA-N 0 1 246.688 3.039 20 0 BGADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccccc1F ZINC000382348705 347287752 /nfs/dbraw/zinc/28/77/52/347287752.db2.gz GANRTBUYBITOBV-WQAKAFBOSA-N 0 1 225.282 3.367 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)o1 ZINC000382371461 398256410 /nfs/dbraw/zinc/25/64/10/398256410.db2.gz GMKVSPWVVLWTNP-OUAUKWLOSA-N 0 1 211.280 3.129 20 0 BGADMN COc1ccsc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000382392284 367514923 /nfs/dbraw/zinc/51/49/23/367514923.db2.gz MQLIFCLSXXPAJQ-BBBLOLIVSA-N 0 1 243.347 3.298 20 0 BGADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)cn1 ZINC000382392361 367515074 /nfs/dbraw/zinc/51/50/74/367515074.db2.gz MQZZXMYLAVAQHK-UBHAPETDSA-N 0 1 242.725 3.276 20 0 BGADMN [O-]c1cccc(C[NH2+]CCCC2CC2)c1Cl ZINC000382394908 397945574 /nfs/dbraw/zinc/94/55/74/397945574.db2.gz YQCTXYWTVMJWGR-UHFFFAOYSA-N 0 1 239.746 3.325 20 0 BGADMN Cc1occc1CNCc1ccsc1C ZINC000382399551 397947040 /nfs/dbraw/zinc/94/70/40/397947040.db2.gz PJYSJZFEWOMNOY-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN F[C@H]1CCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000382399597 367516414 /nfs/dbraw/zinc/51/64/14/367516414.db2.gz PMEIIAGKEVHKPR-QJPTWQEYSA-N 0 1 223.291 3.137 20 0 BGADMN F[C@H]1CCC[C@H]1N[C@H]1CCCc2occc21 ZINC000382399614 367516215 /nfs/dbraw/zinc/51/62/15/367516215.db2.gz PMEIIAGKEVHKPR-SDDRHHMPSA-N 0 1 223.291 3.137 20 0 BGADMN CC(F)(F)CNCC1CCCCCC1 ZINC000382402607 367516247 /nfs/dbraw/zinc/51/62/47/367516247.db2.gz QSNRJCTZGRKJIA-UHFFFAOYSA-N 0 1 205.292 3.202 20 0 BGADMN CC(F)(F)CNCC1CCC(C)(C)CC1 ZINC000382403723 350509462 /nfs/dbraw/zinc/50/94/62/350509462.db2.gz RCVBENMOMJVPBK-UHFFFAOYSA-N 0 1 219.319 3.448 20 0 BGADMN C[C@@H]1CC(C)(C)CC[C@H]1NCC(C)(F)F ZINC000382413000 347322103 /nfs/dbraw/zinc/32/21/03/347322103.db2.gz VASZXCCIMNYNQL-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CC(C)(C)CC[C@@H]1NCC(C)(F)F ZINC000382413003 367517019 /nfs/dbraw/zinc/51/70/19/367517019.db2.gz VASZXCCIMNYNQL-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CC(C)(C)CC[C@H]1NCC(C)(F)F ZINC000382413006 367517390 /nfs/dbraw/zinc/51/73/90/367517390.db2.gz VASZXCCIMNYNQL-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CC(C)(C)CC[C@@H]1NCC(C)(F)F ZINC000382413009 367517108 /nfs/dbraw/zinc/51/71/08/367517108.db2.gz VASZXCCIMNYNQL-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN Cc1ccccc1-c1cc([C@H](N)C(C)C)on1 ZINC000382678051 710975037 /nfs/dbraw/zinc/97/50/37/710975037.db2.gz ALJXLJBXIRWALQ-CQSZACIVSA-N 0 1 230.311 3.306 20 0 BGADMN CC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCCC1 ZINC000382819176 367560691 /nfs/dbraw/zinc/56/06/91/367560691.db2.gz JGHUVVBKJHVFTQ-CYBMUJFWSA-N 0 1 248.370 3.154 20 0 BGADMN CC[C@H]([NH2+]Cc1nc(C)ccc1[O-])C1CCCC1 ZINC000382819177 367560472 /nfs/dbraw/zinc/56/04/72/367560472.db2.gz JGHUVVBKJHVFTQ-ZDUSSCGKSA-N 0 1 248.370 3.154 20 0 BGADMN Cc1nc2c(n1CC1CC(F)(F)C1)CCCC2 ZINC000383179426 352534244 /nfs/dbraw/zinc/53/42/44/352534244.db2.gz MOCCVSSMVSHHMQ-UHFFFAOYSA-N 0 1 240.297 3.116 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000383210168 711471283 /nfs/dbraw/zinc/47/12/83/711471283.db2.gz BXUNJLPAWZZCRI-GMTAPVOTSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000383210170 711471528 /nfs/dbraw/zinc/47/15/28/711471528.db2.gz BXUNJLPAWZZCRI-MXWKQRLJSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@H]2CCC[C@@H](C)C2)n1 ZINC000383210173 711471447 /nfs/dbraw/zinc/47/14/47/711471447.db2.gz BXUNJLPAWZZCRI-OUAUKWLOSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H]2CCC[C@@H](C)C2)n1 ZINC000383210176 711471238 /nfs/dbraw/zinc/47/12/38/711471238.db2.gz BXUNJLPAWZZCRI-VWYCJHECSA-N 0 1 237.347 3.019 20 0 BGADMN C[C@H](c1ccccc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000383587259 710982901 /nfs/dbraw/zinc/98/29/01/710982901.db2.gz PGNFWWRQOROHEU-GFCCVEGCSA-N 0 1 249.354 3.180 20 0 BGADMN C[C@@H](c1ccccc1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000383587261 710983620 /nfs/dbraw/zinc/98/36/20/710983620.db2.gz PGNFWWRQOROHEU-LBPRGKRZSA-N 0 1 249.354 3.180 20 0 BGADMN CCC[C@@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1 ZINC000383647986 367646562 /nfs/dbraw/zinc/64/65/62/367646562.db2.gz NGFDJEDIRTZIKM-AWEZNQCLSA-N 0 1 249.354 3.152 20 0 BGADMN CCC[C@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1 ZINC000383647987 367646439 /nfs/dbraw/zinc/64/64/39/367646439.db2.gz NGFDJEDIRTZIKM-CQSZACIVSA-N 0 1 249.354 3.152 20 0 BGADMN C[C@H](c1ccccc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000383895817 367658762 /nfs/dbraw/zinc/65/87/62/367658762.db2.gz ZPXRCHCMTZEFLD-CYBMUJFWSA-N 0 1 249.354 3.324 20 0 BGADMN C[C@@H](c1ccccc1)[N@@H+](C)CCCCCC(=O)[O-] ZINC000383895821 367658723 /nfs/dbraw/zinc/65/87/23/367658723.db2.gz ZPXRCHCMTZEFLD-ZDUSSCGKSA-N 0 1 249.354 3.324 20 0 BGADMN CCC1(CC)CN(Cc2cccc(F)c2N)C1 ZINC000383905249 488019853 /nfs/dbraw/zinc/01/98/53/488019853.db2.gz XELQGFDYLMRHLU-UHFFFAOYSA-N 0 1 236.334 3.030 20 0 BGADMN Cc1cnc(CNCC2CCC(C)(C)CC2)o1 ZINC000383921014 539012597 /nfs/dbraw/zinc/01/25/97/539012597.db2.gz QULFRIXGCQHGEM-UHFFFAOYSA-N 0 1 236.359 3.289 20 0 BGADMN CCC[N@@H+](CC(C)C)[C@H](C)C(=O)OC(C)(C)C ZINC000384032886 367670138 /nfs/dbraw/zinc/67/01/38/367670138.db2.gz LQMIUWWVADZHLG-GFCCVEGCSA-N 0 1 243.391 3.085 20 0 BGADMN CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)OC(C)(C)C ZINC000384032889 367669628 /nfs/dbraw/zinc/66/96/28/367669628.db2.gz LQMIUWWVADZHLG-LBPRGKRZSA-N 0 1 243.391 3.085 20 0 BGADMN Cc1ccncc1CNCc1cccc(C)c1F ZINC000384489322 367693630 /nfs/dbraw/zinc/69/36/30/367693630.db2.gz JYBHBBAUXDYZBQ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cccc(CNCCC(F)(F)F)c1F ZINC000384528790 367697616 /nfs/dbraw/zinc/69/76/16/367697616.db2.gz YZLJQEHWIPXTLE-UHFFFAOYSA-N 0 1 235.224 3.176 20 0 BGADMN CC/C=C\CN[C@@H](C)c1nc2ccccc2n1C ZINC000384700060 367717546 /nfs/dbraw/zinc/71/75/46/367717546.db2.gz ALWDUIXOTBTUIR-JECSTDCCSA-N 0 1 243.354 3.190 20 0 BGADMN CC/C=C\CN[C@H](C)c1nc2ccccc2n1C ZINC000384700061 367717602 /nfs/dbraw/zinc/71/76/02/367717602.db2.gz ALWDUIXOTBTUIR-VVEJJEBESA-N 0 1 243.354 3.190 20 0 BGADMN CC/C=C\CNCc1sccc1Cl ZINC000384721515 367720241 /nfs/dbraw/zinc/72/02/41/367720241.db2.gz HGTRMFYUGMQSIR-ARJAWSKDSA-N 0 1 215.749 3.457 20 0 BGADMN CC/C=C/CNCc1sccc1Cl ZINC000384721516 367720312 /nfs/dbraw/zinc/72/03/12/367720312.db2.gz HGTRMFYUGMQSIR-ONEGZZNKSA-N 0 1 215.749 3.457 20 0 BGADMN CC/C=C/CNCc1nc2ccccc2n1CC ZINC000384748803 367726355 /nfs/dbraw/zinc/72/63/55/367726355.db2.gz NSHNQIVOBNVCDE-VMPITWQZSA-N 0 1 243.354 3.112 20 0 BGADMN CC/C=C\CNCc1nc2ccccc2n1CC ZINC000384748804 367726885 /nfs/dbraw/zinc/72/68/85/367726885.db2.gz NSHNQIVOBNVCDE-YVMONPNESA-N 0 1 243.354 3.112 20 0 BGADMN C/C=C\CNCc1ccc(CSC(F)F)o1 ZINC000384827789 712700955 /nfs/dbraw/zinc/70/09/55/712700955.db2.gz GIAOQMPHMMLNFY-IHWYPQMZSA-N 0 1 247.310 3.401 20 0 BGADMN C/C=C/CNCc1ccc(CSC(F)F)o1 ZINC000384827798 710998087 /nfs/dbraw/zinc/99/80/87/710998087.db2.gz GIAOQMPHMMLNFY-NSCUHMNNSA-N 0 1 247.310 3.401 20 0 BGADMN CC[C@@H](C)[N@@H+](CCC1=CCCCC1)CC(=O)[O-] ZINC000384838235 487749618 /nfs/dbraw/zinc/74/96/18/487749618.db2.gz HPJVZZOVFXAJRS-GFCCVEGCSA-N 0 1 239.359 3.062 20 0 BGADMN CC[C@H](C)[N@@H+](CCC1=CCCCC1)CC(=O)[O-] ZINC000384838236 487749627 /nfs/dbraw/zinc/74/96/27/487749627.db2.gz HPJVZZOVFXAJRS-LBPRGKRZSA-N 0 1 239.359 3.062 20 0 BGADMN CC/C=C\CNCc1cccc(O)c1Cl ZINC000384854697 367744452 /nfs/dbraw/zinc/74/44/52/367744452.db2.gz LOYQTEYDSFYRSN-ARJAWSKDSA-N 0 1 225.719 3.101 20 0 BGADMN CC/C=C\CNCc1ccc(F)cc1F ZINC000384862070 356782420 /nfs/dbraw/zinc/78/24/20/356782420.db2.gz NAXOUVUUVOKWJB-ARJAWSKDSA-N 0 1 211.255 3.021 20 0 BGADMN CC/C=C/CNCc1ccc(F)cc1F ZINC000384862072 356782883 /nfs/dbraw/zinc/78/28/83/356782883.db2.gz NAXOUVUUVOKWJB-ONEGZZNKSA-N 0 1 211.255 3.021 20 0 BGADMN CC/C=C\CNCc1cccc(F)c1F ZINC000384865804 367745534 /nfs/dbraw/zinc/74/55/34/367745534.db2.gz NTCOQAGALRYBCJ-ARJAWSKDSA-N 0 1 211.255 3.021 20 0 BGADMN CC/C=C/CNCc1cccc(F)c1F ZINC000384865805 367746244 /nfs/dbraw/zinc/74/62/44/367746244.db2.gz NTCOQAGALRYBCJ-ONEGZZNKSA-N 0 1 211.255 3.021 20 0 BGADMN C/C=C\CNCc1cscc1Br ZINC000384865838 710997886 /nfs/dbraw/zinc/99/78/86/710997886.db2.gz NTWYWTHLBJUYBU-IHWYPQMZSA-N 0 1 246.173 3.176 20 0 BGADMN C/C=C/CNCc1cscc1Br ZINC000384865840 710998444 /nfs/dbraw/zinc/99/84/44/710998444.db2.gz NTWYWTHLBJUYBU-NSCUHMNNSA-N 0 1 246.173 3.176 20 0 BGADMN CC/C=C\CNCc1ccc(Br)o1 ZINC000384866787 367745603 /nfs/dbraw/zinc/74/56/03/367745603.db2.gz FJKBQMSZJGMZTQ-ARJAWSKDSA-N 0 1 244.132 3.098 20 0 BGADMN CC/C=C\CNCc1cc(F)ccc1F ZINC000384879491 367748725 /nfs/dbraw/zinc/74/87/25/367748725.db2.gz QLRUNWMEKSXURD-ARJAWSKDSA-N 0 1 211.255 3.021 20 0 BGADMN CC/C=C/CNCc1cc(F)ccc1F ZINC000384879492 367748605 /nfs/dbraw/zinc/74/86/05/367748605.db2.gz QLRUNWMEKSXURD-ONEGZZNKSA-N 0 1 211.255 3.021 20 0 BGADMN Cc1ccc([O-])c(C[NH2+]CC(C)(C)C2CCC2)n1 ZINC000384926938 367759189 /nfs/dbraw/zinc/75/91/89/367759189.db2.gz GPELSYWSLRBEMD-UHFFFAOYSA-N 0 1 248.370 3.012 20 0 BGADMN CC/C=C\CNCc1nn(CC)c2ccccc12 ZINC000384961045 367765436 /nfs/dbraw/zinc/76/54/36/367765436.db2.gz HHERKPJHSFZNFD-YVMONPNESA-N 0 1 243.354 3.112 20 0 BGADMN C/C=C/CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000384985801 344285959 /nfs/dbraw/zinc/28/59/59/344285959.db2.gz ZQYKKNULSOYRCW-ISBNUJHVSA-N 0 1 205.301 3.069 20 0 BGADMN C/C=C/CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000384985803 344285815 /nfs/dbraw/zinc/28/58/15/344285815.db2.gz ZQYKKNULSOYRCW-KJDJKKKBSA-N 0 1 205.301 3.069 20 0 BGADMN C/C=C\CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000384985806 344285912 /nfs/dbraw/zinc/28/59/12/344285912.db2.gz ZQYKKNULSOYRCW-OIFMLDNNSA-N 0 1 205.301 3.069 20 0 BGADMN C/C=C\CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000384985808 344285810 /nfs/dbraw/zinc/28/58/10/344285810.db2.gz ZQYKKNULSOYRCW-YZKQYGISSA-N 0 1 205.301 3.069 20 0 BGADMN C/C=C/CNCc1nc2ccccc2n1CCC ZINC000385012611 344294726 /nfs/dbraw/zinc/29/47/26/344294726.db2.gz NNSWCPFZWIZZCT-HWKANZROSA-N 0 1 243.354 3.112 20 0 BGADMN C/C=C\CNCc1nc2ccccc2n1CCC ZINC000385012619 344294666 /nfs/dbraw/zinc/29/46/66/344294666.db2.gz NNSWCPFZWIZZCT-HYXAFXHYSA-N 0 1 243.354 3.112 20 0 BGADMN C/C=C/CN[C@@H](c1ccccc1)c1ccccn1 ZINC000385025313 356866379 /nfs/dbraw/zinc/86/63/79/356866379.db2.gz OZFFTAKWTDLAAU-KZSQQDEKSA-N 0 1 238.334 3.337 20 0 BGADMN C/C=C\CN[C@H](c1ccccc1)c1ccccn1 ZINC000385025315 356866770 /nfs/dbraw/zinc/86/67/70/356866770.db2.gz OZFFTAKWTDLAAU-RXYHWBRQSA-N 0 1 238.334 3.337 20 0 BGADMN C/C=C/CN[C@H](c1ccccc1)c1ccccn1 ZINC000385025318 356866369 /nfs/dbraw/zinc/86/63/69/356866369.db2.gz OZFFTAKWTDLAAU-WOMSROEHSA-N 0 1 238.334 3.337 20 0 BGADMN C/C=C\CN[C@@H](c1ccccc1)c1ccccn1 ZINC000385025321 356866305 /nfs/dbraw/zinc/86/63/05/356866305.db2.gz OZFFTAKWTDLAAU-YPQKKHBXSA-N 0 1 238.334 3.337 20 0 BGADMN C/C=C\CNCc1cccc(Cl)c1F ZINC000385032181 367775607 /nfs/dbraw/zinc/77/56/07/367775607.db2.gz PYEPUMCMZOQKKI-IHWYPQMZSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C/CNCc1cccc(Cl)c1F ZINC000385032191 344301817 /nfs/dbraw/zinc/30/18/17/344301817.db2.gz PYEPUMCMZOQKKI-NSCUHMNNSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C\CNCc1c(F)cccc1Cl ZINC000385033459 344302009 /nfs/dbraw/zinc/30/20/09/344302009.db2.gz QECIMEVCEHFBLX-IHWYPQMZSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C/CNCc1c(F)cccc1Cl ZINC000385033460 344301892 /nfs/dbraw/zinc/30/18/92/344301892.db2.gz QECIMEVCEHFBLX-NSCUHMNNSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C\CNCc1ccc(F)cc1Cl ZINC000385034658 344301731 /nfs/dbraw/zinc/30/17/31/344301731.db2.gz QJTXTNNMFGEBAT-IHWYPQMZSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C/CNCc1ccc(F)cc1Cl ZINC000385034659 344301914 /nfs/dbraw/zinc/30/19/14/344301914.db2.gz QJTXTNNMFGEBAT-NSCUHMNNSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C\CNCc1ccc(Cl)cc1F ZINC000385041603 344305378 /nfs/dbraw/zinc/30/53/78/344305378.db2.gz RHOIUHYFUNCKSA-IHWYPQMZSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C/CNCc1ccc(Cl)cc1F ZINC000385041609 344305363 /nfs/dbraw/zinc/30/53/63/344305363.db2.gz RHOIUHYFUNCKSA-NSCUHMNNSA-N 0 1 213.683 3.145 20 0 BGADMN CC/C=C\CNCc1cn2cc(Cl)ccc2n1 ZINC000385069809 367782572 /nfs/dbraw/zinc/78/25/72/367782572.db2.gz VPTFQCMKCTZANJ-ARJAWSKDSA-N 0 1 249.745 3.044 20 0 BGADMN CC/C=C\CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000385077069 367784413 /nfs/dbraw/zinc/78/44/13/367784413.db2.gz WGOSNGKFHYWRJO-FTGSRHIXSA-N 0 1 219.328 3.459 20 0 BGADMN CC/C=C/CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000385077076 367784259 /nfs/dbraw/zinc/78/42/59/367784259.db2.gz WGOSNGKFHYWRJO-SOHMCZBRSA-N 0 1 219.328 3.459 20 0 BGADMN CC/C=C/CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000385077080 367784445 /nfs/dbraw/zinc/78/44/45/367784445.db2.gz WGOSNGKFHYWRJO-WPCUQIPDSA-N 0 1 219.328 3.459 20 0 BGADMN CC/C=C\CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000385077083 367783880 /nfs/dbraw/zinc/78/38/80/367783880.db2.gz WGOSNGKFHYWRJO-YBLMTZRHSA-N 0 1 219.328 3.459 20 0 BGADMN C[C@@H]([N@@H+](C)Cc1ccccc1C(=O)[O-])C1(C)CC1 ZINC000385247751 367813614 /nfs/dbraw/zinc/81/36/14/367813614.db2.gz JZHKWSPJXUPASH-LLVKDONJSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]([N@@H+](C)Cc1ccccc1C(=O)[O-])C1(C)CC1 ZINC000385247752 367813706 /nfs/dbraw/zinc/81/37/06/367813706.db2.gz JZHKWSPJXUPASH-NSHDSACASA-N 0 1 247.338 3.005 20 0 BGADMN Cc1nc(C)c(CNCc2cc(C)cc(C)c2)o1 ZINC000385542199 344990043 /nfs/dbraw/zinc/99/00/43/344990043.db2.gz UUEMLOOEZANJND-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN Cc1nc(C)c(CN[C@H](C)c2ccccc2C)o1 ZINC000385567159 398168711 /nfs/dbraw/zinc/16/87/11/398168711.db2.gz BXRSBTGGZXEABA-LLVKDONJSA-N 0 1 244.338 3.451 20 0 BGADMN CC[C@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)CC1 ZINC000385580137 398169357 /nfs/dbraw/zinc/16/93/57/398169357.db2.gz FSCSBWYYUOXSBL-IJLUTSLNSA-N 0 1 249.358 3.178 20 0 BGADMN CC[C@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)CC1 ZINC000385580138 398169790 /nfs/dbraw/zinc/16/97/90/398169790.db2.gz FSCSBWYYUOXSBL-SRVKXCTJSA-N 0 1 249.358 3.178 20 0 BGADMN Cc1nc(C)c(CNCc2ccc(C)cc2C)o1 ZINC000385619167 345007262 /nfs/dbraw/zinc/00/72/62/345007262.db2.gz PRMZDBYLBGOKSC-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN CC(C)C[C@@H]1C[C@H]1NCc1ncc(Cl)s1 ZINC000385791313 367864191 /nfs/dbraw/zinc/86/41/91/367864191.db2.gz DYDGQJIBAOKHNO-RKDXNWHRSA-N 0 1 244.791 3.321 20 0 BGADMN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cscn1 ZINC000385807477 367865713 /nfs/dbraw/zinc/86/57/13/367865713.db2.gz HRJSQKMNHKDLQF-GMTAPVOTSA-N 0 1 224.373 3.228 20 0 BGADMN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cscn1 ZINC000385807480 367865911 /nfs/dbraw/zinc/86/59/11/367865911.db2.gz 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BGADMN Cc1[nH]ncc1CNc1ccc(C(F)F)cc1 ZINC000386333063 711027711 /nfs/dbraw/zinc/02/77/11/711027711.db2.gz QCWZBKHWLQKQAG-UHFFFAOYSA-N 0 1 237.253 3.268 20 0 BGADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccco2)no1 ZINC000386426296 367966330 /nfs/dbraw/zinc/96/63/30/367966330.db2.gz IFOWXQUHXILGQR-SECBINFHSA-N 0 1 249.314 3.026 20 0 BGADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccco2)no1 ZINC000386426298 367967111 /nfs/dbraw/zinc/96/71/11/367967111.db2.gz IFOWXQUHXILGQR-VIFPVBQESA-N 0 1 249.314 3.026 20 0 BGADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccoc2)no1 ZINC000386452668 711029692 /nfs/dbraw/zinc/02/96/92/711029692.db2.gz MDOXGWBBDBYZND-JTQLQIEISA-N 0 1 249.314 3.026 20 0 BGADMN CN[C@H](CC(C)(C)C)c1nc(-c2ccoc2)no1 ZINC000386452672 711030170 /nfs/dbraw/zinc/03/01/70/711030170.db2.gz MDOXGWBBDBYZND-SNVBAGLBSA-N 0 1 249.314 3.026 20 0 BGADMN CN[C@H](CC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000386526785 367985823 /nfs/dbraw/zinc/98/58/23/367985823.db2.gz YTMFBMZMJWOKJX-SECBINFHSA-N 0 1 239.363 3.064 20 0 BGADMN 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C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)C(C)(F)F ZINC000389494981 356694643 /nfs/dbraw/zinc/69/46/43/356694643.db2.gz XRMUJGLOQSRQIQ-RCWTZXSCSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)C(C)(F)F ZINC000389494982 356694639 /nfs/dbraw/zinc/69/46/39/356694639.db2.gz XRMUJGLOQSRQIQ-YTWAJWBKSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)C(C)(F)F ZINC000389494983 356694570 /nfs/dbraw/zinc/69/45/70/356694570.db2.gz XRMUJGLOQSRQIQ-ZNSHCXBVSA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](CSC)Nc1ccnc(C)c1Cl ZINC000389596697 356999379 /nfs/dbraw/zinc/99/93/79/356999379.db2.gz QBFJOYZEYIWFIX-SECBINFHSA-N 0 1 244.791 3.019 20 0 BGADMN CC[C@@H](CSC)Nc1ccnc(C)c1Cl ZINC000389596698 356999548 /nfs/dbraw/zinc/99/95/48/356999548.db2.gz QBFJOYZEYIWFIX-VIFPVBQESA-N 0 1 244.791 3.019 20 0 BGADMN C[C@@H]1CCCC[C@@H]1CNC1(C(F)F)CC1 ZINC000389649216 357008755 /nfs/dbraw/zinc/00/87/55/357008755.db2.gz UZMAVRWPXFGAKH-NXEZZACHSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@H]1CCCC[C@H]1CNC1(C(F)F)CC1 ZINC000389649217 357008999 /nfs/dbraw/zinc/00/89/99/357008999.db2.gz UZMAVRWPXFGAKH-UWVGGRQHSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@H]1CCCC[C@@H]1CNC1(C(F)F)CC1 ZINC000389649218 357008712 /nfs/dbraw/zinc/00/87/12/357008712.db2.gz UZMAVRWPXFGAKH-VHSXEESVSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@@H]1CCCC[C@H]1CNC1(C(F)F)CC1 ZINC000389649219 357008665 /nfs/dbraw/zinc/00/86/65/357008665.db2.gz UZMAVRWPXFGAKH-ZJUUUORDSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@@H]1C[C@@H]1CNC1(C(F)F)CCCCC1 ZINC000389651433 357009682 /nfs/dbraw/zinc/00/96/82/357009682.db2.gz WEUTVCCEKJFYQN-NXEZZACHSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@H]1C[C@H]1CNC1(C(F)F)CCCCC1 ZINC000389651435 357009882 /nfs/dbraw/zinc/00/98/82/357009882.db2.gz WEUTVCCEKJFYQN-UWVGGRQHSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@H]1C[C@@H]1CNC1(C(F)F)CCCCC1 ZINC000389651437 357009651 /nfs/dbraw/zinc/00/96/51/357009651.db2.gz WEUTVCCEKJFYQN-VHSXEESVSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@@H]1C[C@H]1CNC1(C(F)F)CCCCC1 ZINC000389651440 357009745 /nfs/dbraw/zinc/00/97/45/357009745.db2.gz WEUTVCCEKJFYQN-ZJUUUORDSA-N 0 1 217.303 3.200 20 0 BGADMN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000389916961 398148565 /nfs/dbraw/zinc/14/85/65/398148565.db2.gz NRYOIPBWADWBMO-GDPRMGEGSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000389916963 398148548 /nfs/dbraw/zinc/14/85/48/398148548.db2.gz NRYOIPBWADWBMO-INTQDDNPSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000389916964 398149291 /nfs/dbraw/zinc/14/92/91/398149291.db2.gz NRYOIPBWADWBMO-JMJZKYOTSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000389916965 398149247 /nfs/dbraw/zinc/14/92/47/398149247.db2.gz NRYOIPBWADWBMO-LSJOCFKGSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@@H](CCCC(F)(F)F)N[C@@H](C)C(F)F ZINC000389919320 398149490 /nfs/dbraw/zinc/14/94/90/398149490.db2.gz PFHFKVYLFHFBCK-BQBZGAKWSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@@H](N[C@@H](C)CCCC(F)(F)F)C(F)F ZINC000389919321 398149398 /nfs/dbraw/zinc/14/93/98/398149398.db2.gz PFHFKVYLFHFBCK-NKWVEPMBSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@H](CCCC(F)(F)F)N[C@H](C)C(F)F ZINC000389919322 398149280 /nfs/dbraw/zinc/14/92/80/398149280.db2.gz PFHFKVYLFHFBCK-RNFRBKRXSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@H](CCCC(F)(F)F)N[C@@H](C)C(F)F ZINC000389919323 398149251 /nfs/dbraw/zinc/14/92/51/398149251.db2.gz PFHFKVYLFHFBCK-RQJHMYQMSA-N 0 1 233.224 3.351 20 0 BGADMN FC(F)C1(NCC2CCC2)CCCCC1 ZINC000389932649 357069817 /nfs/dbraw/zinc/06/98/17/357069817.db2.gz LOMHKKSXCSREBG-UHFFFAOYSA-N 0 1 217.303 3.344 20 0 BGADMN C[C@@H](N[C@@H]1CCOC2(CCCCC2)C1)C(F)F ZINC000389939632 711100019 /nfs/dbraw/zinc/10/00/19/711100019.db2.gz MCQPPYRFPYQXMS-GHMZBOCLSA-N 0 1 247.329 3.112 20 0 BGADMN C[C@@H](N[C@H]1CCOC2(CCCCC2)C1)C(F)F ZINC000389939641 711099946 /nfs/dbraw/zinc/09/99/46/711099946.db2.gz MCQPPYRFPYQXMS-MNOVXSKESA-N 0 1 247.329 3.112 20 0 BGADMN C[C@H](N[C@H]1CCOC2(CCCCC2)C1)C(F)F ZINC000389939644 711100136 /nfs/dbraw/zinc/10/01/36/711100136.db2.gz MCQPPYRFPYQXMS-QWRGUYRKSA-N 0 1 247.329 3.112 20 0 BGADMN C[C@H](N[C@@H]1CCOC2(CCCCC2)C1)C(F)F ZINC000389939650 711100069 /nfs/dbraw/zinc/10/00/69/711100069.db2.gz MCQPPYRFPYQXMS-WDEREUQCSA-N 0 1 247.329 3.112 20 0 BGADMN Cc1ccnc(NCC2CC(C)(C)C2)c1 ZINC000390000874 357083594 /nfs/dbraw/zinc/08/35/94/357083594.db2.gz SUJVAPXQTGMALE-UHFFFAOYSA-N 0 1 204.317 3.238 20 0 BGADMN Cc1nccc(NCCCC(C)(F)F)c1Cl ZINC000390072147 323083354 /nfs/dbraw/zinc/08/33/54/323083354.db2.gz MQMQPYSHUGKNDC-UHFFFAOYSA-N 0 1 248.704 3.313 20 0 BGADMN CC(C)CNc1cc[nH+]c2c([O-])cccc12 ZINC000390361447 538034681 /nfs/dbraw/zinc/03/46/81/538034681.db2.gz RXEIRBAYIVZZGJ-UHFFFAOYSA-N 0 1 216.284 3.008 20 0 BGADMN CCc1ccc(CN[C@@H](C)c2ccc[nH]2)o1 ZINC000390427021 711116612 /nfs/dbraw/zinc/11/66/12/711116612.db2.gz MWVNNMDEBXPTJD-JTQLQIEISA-N 0 1 218.300 3.021 20 0 BGADMN CCc1ccc(CN[C@H](C)c2ccc[nH]2)o1 ZINC000390427028 711116336 /nfs/dbraw/zinc/11/63/36/711116336.db2.gz MWVNNMDEBXPTJD-SNVBAGLBSA-N 0 1 218.300 3.021 20 0 BGADMN Cc1nccc(NC(C2CC2)C2CC2)c1Cl ZINC000390466253 259390269 /nfs/dbraw/zinc/39/02/69/259390269.db2.gz FRDAHACDBBFQCO-UHFFFAOYSA-N 0 1 236.746 3.066 20 0 BGADMN Cc1cccc(F)c1CNCc1ccsc1 ZINC000390532980 712420342 /nfs/dbraw/zinc/42/03/42/712420342.db2.gz JCTKSXLERJEADL-UHFFFAOYSA-N 0 1 235.327 3.485 20 0 BGADMN C[C@@H](Cc1ccoc1)N[C@@H](C)c1nccs1 ZINC000390538129 347384253 /nfs/dbraw/zinc/38/42/53/347384253.db2.gz KRZPWFRMBDJSNO-UWVGGRQHSA-N 0 1 236.340 3.018 20 0 BGADMN C[C@H](Cc1ccoc1)N[C@@H](C)c1nccs1 ZINC000390538131 347384517 /nfs/dbraw/zinc/38/45/17/347384517.db2.gz KRZPWFRMBDJSNO-ZJUUUORDSA-N 0 1 236.340 3.018 20 0 BGADMN CCc1noc(C)c1[C@H](C)NCC=C(C)C ZINC000390539317 711124092 /nfs/dbraw/zinc/12/40/92/711124092.db2.gz KWKCKECVGNDQMI-JTQLQIEISA-N 0 1 222.332 3.162 20 0 BGADMN CCc1noc(C)c1[C@@H](C)NCC=C(C)C ZINC000390539318 711124423 /nfs/dbraw/zinc/12/44/23/711124423.db2.gz KWKCKECVGNDQMI-SNVBAGLBSA-N 0 1 222.332 3.162 20 0 BGADMN FC1(F)CCCC[C@@H]1CNCc1nccs1 ZINC000390556782 491122302 /nfs/dbraw/zinc/12/23/02/491122302.db2.gz LPBCTIFGJRHMIT-SECBINFHSA-N 0 1 246.326 3.058 20 0 BGADMN FC1(F)CCCC[C@H]1CNCc1nccs1 ZINC000390556783 397895851 /nfs/dbraw/zinc/89/58/51/397895851.db2.gz LPBCTIFGJRHMIT-VIFPVBQESA-N 0 1 246.326 3.058 20 0 BGADMN COc1ccc(C)cc1[C@H](C)NC/C=C\Cl ZINC000390591856 711126975 /nfs/dbraw/zinc/12/69/75/711126975.db2.gz ZNYCILNKQPVFJO-IBHLPDHGSA-N 0 1 239.746 3.407 20 0 BGADMN COc1ccc(C)cc1[C@@H](C)NC/C=C\Cl ZINC000390591872 711126256 /nfs/dbraw/zinc/12/62/56/711126256.db2.gz ZNYCILNKQPVFJO-MEQVVJDKSA-N 0 1 239.746 3.407 20 0 BGADMN Cc1cccc(NC[C@@H]2CCCC2(F)F)n1 ZINC000390853921 323096199 /nfs/dbraw/zinc/09/61/99/323096199.db2.gz JJXIFVQOIBCVJV-JTQLQIEISA-N 0 1 226.270 3.237 20 0 BGADMN Cc1cccc(NC[C@H]2CCCC2(F)F)n1 ZINC000390853926 323096205 /nfs/dbraw/zinc/09/62/05/323096205.db2.gz JJXIFVQOIBCVJV-SNVBAGLBSA-N 0 1 226.270 3.237 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCCC2(F)F)c1 ZINC000390859274 323096182 /nfs/dbraw/zinc/09/61/82/323096182.db2.gz LIWKEBIMAURAMA-JTQLQIEISA-N 0 1 226.270 3.237 20 0 BGADMN Cc1ccnc(NC[C@H]2CCCC2(F)F)c1 ZINC000390859279 323096207 /nfs/dbraw/zinc/09/62/07/323096207.db2.gz LIWKEBIMAURAMA-SNVBAGLBSA-N 0 1 226.270 3.237 20 0 BGADMN C[C@@H](NC[C@@H]1CCCC1(F)F)c1cscn1 ZINC000390879042 357119059 /nfs/dbraw/zinc/11/90/59/357119059.db2.gz SVTMYKGXOLQVFU-BDAKNGLRSA-N 0 1 246.326 3.229 20 0 BGADMN C[C@H](NC[C@H]1CCCC1(F)F)c1cscn1 ZINC000390879044 357119029 /nfs/dbraw/zinc/11/90/29/357119029.db2.gz SVTMYKGXOLQVFU-DTWKUNHWSA-N 0 1 246.326 3.229 20 0 BGADMN C[C@H](NC[C@@H]1CCCC1(F)F)c1cscn1 ZINC000390879046 357119036 /nfs/dbraw/zinc/11/90/36/357119036.db2.gz SVTMYKGXOLQVFU-IUCAKERBSA-N 0 1 246.326 3.229 20 0 BGADMN C[C@@H](NC[C@H]1CCCC1(F)F)c1cscn1 ZINC000390879516 357118886 /nfs/dbraw/zinc/11/88/86/357118886.db2.gz SVTMYKGXOLQVFU-RKDXNWHRSA-N 0 1 246.326 3.229 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccnc(C)c2)o1 ZINC000391180173 386467927 /nfs/dbraw/zinc/46/79/27/386467927.db2.gz IPKPGZUVFHCKCZ-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ccc([C@H](C)NCc2ccnc(C)c2)o1 ZINC000391180180 386468448 /nfs/dbraw/zinc/46/84/48/386468448.db2.gz IPKPGZUVFHCKCZ-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc([C@@H](C)NCc2ccnc(C)c2)c(C)o1 ZINC000391193667 386472199 /nfs/dbraw/zinc/47/21/99/386472199.db2.gz QCXOEZCIPHNNIA-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc([C@H](C)NCc2ccnc(C)c2)c(C)o1 ZINC000391193672 386474060 /nfs/dbraw/zinc/47/40/60/386474060.db2.gz QCXOEZCIPHNNIA-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc(CNCc2cccc(C)c2F)ccn1 ZINC000391202095 386478103 /nfs/dbraw/zinc/47/81/03/386478103.db2.gz RKOQZQLDIHDHBU-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccccc2F)ccn1 ZINC000391236342 386494970 /nfs/dbraw/zinc/49/49/70/386494970.db2.gz WGHFIKYDGHNBIB-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cc(CN[C@@H](C)c2ccccc2F)ccn1 ZINC000391236343 386496439 /nfs/dbraw/zinc/49/64/39/386496439.db2.gz WGHFIKYDGHNBIB-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc(F)c(CNCc2ccnc(C)c2)c1 ZINC000391240046 386496392 /nfs/dbraw/zinc/49/63/92/386496392.db2.gz ZATOVYMGLZSLKZ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN CCc1nnc(CN[C@H](C)CC(C)(C)C)s1 ZINC000391918290 386695562 /nfs/dbraw/zinc/69/55/62/386695562.db2.gz ATKMURJAIKOIHN-SECBINFHSA-N 0 1 241.404 3.015 20 0 BGADMN CCc1nnc(CN[C@@H](C)CC(C)(C)C)s1 ZINC000391918292 386695593 /nfs/dbraw/zinc/69/55/93/386695593.db2.gz ATKMURJAIKOIHN-VIFPVBQESA-N 0 1 241.404 3.015 20 0 BGADMN CCc1nnc(CNCCCC(C)(C)C)s1 ZINC000392129211 711143159 /nfs/dbraw/zinc/14/31/59/711143159.db2.gz ZNWQKXWGHMABFY-UHFFFAOYSA-N 0 1 241.404 3.016 20 0 BGADMN CCCCN(C)Cc1cccc(O)c1Cl ZINC000392831902 398060409 /nfs/dbraw/zinc/06/04/09/398060409.db2.gz HTSGXOHMPAPJDF-UHFFFAOYSA-N 0 1 227.735 3.278 20 0 BGADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000393203289 387871432 /nfs/dbraw/zinc/87/14/32/387871432.db2.gz CUGMSOYJWSWKCU-HDBBIHSSSA-N 0 1 229.245 3.130 20 0 BGADMN CC(C)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000393250072 387886410 /nfs/dbraw/zinc/88/64/10/387886410.db2.gz DMJSJXIOZIHMFG-UHFFFAOYSA-N 0 1 227.735 3.181 20 0 BGADMN C[C@H]1CCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000393284286 259491702 /nfs/dbraw/zinc/49/17/02/259491702.db2.gz OKIAXNMABJGUNJ-GXSJLCMTSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000393284288 387153288 /nfs/dbraw/zinc/15/32/88/387153288.db2.gz OKIAXNMABJGUNJ-KOLCDFICSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000393284290 387153805 /nfs/dbraw/zinc/15/38/05/387153805.db2.gz OKIAXNMABJGUNJ-MWLCHTKSSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000393284292 387153582 /nfs/dbraw/zinc/15/35/82/387153582.db2.gz OKIAXNMABJGUNJ-ONGXEEELSA-N 0 1 239.746 3.324 20 0 BGADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393306594 387154530 /nfs/dbraw/zinc/15/45/30/387154530.db2.gz FEXFRKMITONVOH-NXEZZACHSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393306594 387154527 /nfs/dbraw/zinc/15/45/27/387154527.db2.gz FEXFRKMITONVOH-NXEZZACHSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@H]1C[C@H](C)[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393306596 387154970 /nfs/dbraw/zinc/15/49/70/387154970.db2.gz FEXFRKMITONVOH-UWVGGRQHSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@H]1C[C@H](C)[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393306596 387154965 /nfs/dbraw/zinc/15/49/65/387154965.db2.gz FEXFRKMITONVOH-UWVGGRQHSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc([O-])c1Cl ZINC000393306598 387154273 /nfs/dbraw/zinc/15/42/73/387154273.db2.gz FEXFRKMITONVOH-VHSXEESVSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc([O-])c1Cl ZINC000393306598 387154269 /nfs/dbraw/zinc/15/42/69/387154269.db2.gz FEXFRKMITONVOH-VHSXEESVSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393306600 387154896 /nfs/dbraw/zinc/15/48/96/387154896.db2.gz FEXFRKMITONVOH-ZJUUUORDSA-N 0 1 239.746 3.276 20 0 BGADMN C[C@@H]1C[C@H](C)[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000393306600 387154890 /nfs/dbraw/zinc/15/48/90/387154890.db2.gz FEXFRKMITONVOH-ZJUUUORDSA-N 0 1 239.746 3.276 20 0 BGADMN CC1(C)CCCN1C/C(Cl)=C\Cl ZINC000393332714 711797135 /nfs/dbraw/zinc/79/71/35/711797135.db2.gz QZXQTQXHKWGWSN-SOFGYWHQSA-N 0 1 208.132 3.180 20 0 BGADMN Cl/C=C\CNCc1ccc(Cl)s1 ZINC000393348868 711157633 /nfs/dbraw/zinc/15/76/33/711157633.db2.gz MLBHGNJMYLQHNJ-RJRFIUFISA-N 0 1 222.140 3.244 20 0 BGADMN CCCC(CCC)NCc1nn(C)cc1Cl ZINC000393362172 388821185 /nfs/dbraw/zinc/82/11/85/388821185.db2.gz HCUOBPUIFYIXEL-UHFFFAOYSA-N 0 1 243.782 3.132 20 0 BGADMN CCCC[C@H](CC)NCc1nn(C)cc1Cl ZINC000393366367 388848477 /nfs/dbraw/zinc/84/84/77/388848477.db2.gz LZRGTAKOIVMMNX-JTQLQIEISA-N 0 1 243.782 3.132 20 0 BGADMN CCCC[C@@H](CC)NCc1nn(C)cc1Cl ZINC000393366370 388848879 /nfs/dbraw/zinc/84/88/79/388848879.db2.gz LZRGTAKOIVMMNX-SNVBAGLBSA-N 0 1 243.782 3.132 20 0 BGADMN CCCCC[C@H](C)NCc1nn(C)cc1Cl ZINC000393383769 711157070 /nfs/dbraw/zinc/15/70/70/711157070.db2.gz XBWPOHNMJIAJNY-JTQLQIEISA-N 0 1 243.782 3.132 20 0 BGADMN CCCCC[C@@H](C)NCc1nn(C)cc1Cl ZINC000393383773 711157910 /nfs/dbraw/zinc/15/79/10/711157910.db2.gz XBWPOHNMJIAJNY-SNVBAGLBSA-N 0 1 243.782 3.132 20 0 BGADMN CCCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000393386832 387350954 /nfs/dbraw/zinc/35/09/54/387350954.db2.gz QNCPWVOSXIXHQR-UHFFFAOYSA-N 0 1 227.735 3.325 20 0 BGADMN CC(C)[C@H]1CCC[C@H]1NCC(C)(F)F ZINC000393418194 357308271 /nfs/dbraw/zinc/30/82/71/357308271.db2.gz BTJWEZPJVFWWGS-NXEZZACHSA-N 0 1 205.292 3.056 20 0 BGADMN CC(C)[C@@H]1CCC[C@@H]1NCC(C)(F)F ZINC000393418196 357308460 /nfs/dbraw/zinc/30/84/60/357308460.db2.gz BTJWEZPJVFWWGS-UWVGGRQHSA-N 0 1 205.292 3.056 20 0 BGADMN CC(C)[C@@H]1CCC[C@H]1NCC(C)(F)F ZINC000393418198 357308259 /nfs/dbraw/zinc/30/82/59/357308259.db2.gz BTJWEZPJVFWWGS-VHSXEESVSA-N 0 1 205.292 3.056 20 0 BGADMN CC(C)[C@H]1CCC[C@@H]1NCC(C)(F)F ZINC000393418200 357308092 /nfs/dbraw/zinc/30/80/92/357308092.db2.gz BTJWEZPJVFWWGS-ZJUUUORDSA-N 0 1 205.292 3.056 20 0 BGADMN Clc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)ccn1 ZINC000393432139 711159469 /nfs/dbraw/zinc/15/94/69/711159469.db2.gz JBUJWRUUDUZCGB-RYUDHWBXSA-N 0 1 236.746 3.109 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)oc1C ZINC000393454718 357310596 /nfs/dbraw/zinc/31/05/96/357310596.db2.gz HVTUZXXPOMBSCX-ADEWGFFLSA-N 0 1 225.307 3.438 20 0 BGADMN CCCC[C@@H](C)[C@@H](C)NCC(C)(F)F ZINC000393481213 357284114 /nfs/dbraw/zinc/28/41/14/357284114.db2.gz IOWSIURDDPUFTM-NXEZZACHSA-N 0 1 207.308 3.446 20 0 BGADMN CCCC[C@H](C)[C@H](C)NCC(C)(F)F ZINC000393481214 357284426 /nfs/dbraw/zinc/28/44/26/357284426.db2.gz IOWSIURDDPUFTM-UWVGGRQHSA-N 0 1 207.308 3.446 20 0 BGADMN CCCC[C@H](C)[C@@H](C)NCC(C)(F)F ZINC000393481216 357284667 /nfs/dbraw/zinc/28/46/67/357284667.db2.gz IOWSIURDDPUFTM-VHSXEESVSA-N 0 1 207.308 3.446 20 0 BGADMN CCCC[C@@H](C)[C@H](C)NCC(C)(F)F ZINC000393481217 357284300 /nfs/dbraw/zinc/28/43/00/357284300.db2.gz IOWSIURDDPUFTM-ZJUUUORDSA-N 0 1 207.308 3.446 20 0 BGADMN [O-]c1cccc(C[NH2+]C2(C3CC3)CC2)c1Cl ZINC000393504996 410724625 /nfs/dbraw/zinc/72/46/25/410724625.db2.gz VGDGANONRGPWDG-UHFFFAOYSA-N 0 1 237.730 3.078 20 0 BGADMN C[C@@H](NCC(C)(F)F)C1CCC(F)(F)CC1 ZINC000393525778 409788764 /nfs/dbraw/zinc/78/87/64/409788764.db2.gz SPYLXAGFJJTKPW-MRVPVSSYSA-N 0 1 241.272 3.445 20 0 BGADMN C[C@H](NCC(C)(F)F)C1CCC(F)(F)CC1 ZINC000393525780 410745779 /nfs/dbraw/zinc/74/57/79/410745779.db2.gz SPYLXAGFJJTKPW-QMMMGPOBSA-N 0 1 241.272 3.445 20 0 BGADMN C[C@H](CC1CCCC1)NCC(C)(F)F ZINC000393528604 357286621 /nfs/dbraw/zinc/28/66/21/357286621.db2.gz UVHVIJAZYYQYLU-SECBINFHSA-N 0 1 205.292 3.200 20 0 BGADMN C[C@@H](CC1CCCC1)NCC(C)(F)F ZINC000393528607 357286413 /nfs/dbraw/zinc/28/64/13/357286413.db2.gz UVHVIJAZYYQYLU-VIFPVBQESA-N 0 1 205.292 3.200 20 0 BGADMN Cc1nc(C)c([C@@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000393539662 357287536 /nfs/dbraw/zinc/28/75/36/357287536.db2.gz CVAAUVJQZHEPGX-DVVUODLYSA-N 0 1 242.363 3.301 20 0 BGADMN C[C@@H]1CCCC[C@@H]1CNCC(C)(F)F ZINC000393547716 357287688 /nfs/dbraw/zinc/28/76/88/357287688.db2.gz IASNCCKYRMLRQA-NXEZZACHSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@H]1CCCC[C@H]1CNCC(C)(F)F ZINC000393547718 357287599 /nfs/dbraw/zinc/28/75/99/357287599.db2.gz IASNCCKYRMLRQA-UWVGGRQHSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@H]1CCCC[C@@H]1CNCC(C)(F)F ZINC000393547720 357287288 /nfs/dbraw/zinc/28/72/88/357287288.db2.gz IASNCCKYRMLRQA-VHSXEESVSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@@H]1CCCC[C@H]1CNCC(C)(F)F ZINC000393547722 357287589 /nfs/dbraw/zinc/28/75/89/357287589.db2.gz IASNCCKYRMLRQA-ZJUUUORDSA-N 0 1 205.292 3.058 20 0 BGADMN C[C@H]1CCCCN(C/C(Cl)=C\Cl)C1 ZINC000393587681 711164591 /nfs/dbraw/zinc/16/45/91/711164591.db2.gz XGMWDXGQCOBNSO-CMWXKVOJSA-N 0 1 222.159 3.427 20 0 BGADMN C[C@@H]1CCCCN(C/C(Cl)=C\Cl)C1 ZINC000393587682 711164611 /nfs/dbraw/zinc/16/46/11/711164611.db2.gz XGMWDXGQCOBNSO-ZFZMKPAXSA-N 0 1 222.159 3.427 20 0 BGADMN C[C@@H]1CC[C@H](NC(C)(C)C(F)F)C[C@H]1C ZINC000393620161 631939518 /nfs/dbraw/zinc/93/95/18/631939518.db2.gz PJACLILXCYHOLO-BBBLOLIVSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@@H]1CC[C@@H](NC(C)(C)C(F)F)C[C@@H]1C ZINC000393620164 631940023 /nfs/dbraw/zinc/94/00/23/631940023.db2.gz PJACLILXCYHOLO-KXUCPTDWSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@@H]1CC[C@@H](NC(C)(C)C(F)F)C[C@H]1C ZINC000393620166 582924968 /nfs/dbraw/zinc/92/49/68/582924968.db2.gz PJACLILXCYHOLO-OPRDCNLKSA-N 0 1 219.319 3.444 20 0 BGADMN C[C@@H]1CC[C@H](NC(C)(C)C(F)F)C[C@@H]1C ZINC000393620168 582925073 /nfs/dbraw/zinc/92/50/73/582925073.db2.gz PJACLILXCYHOLO-UTLUCORTSA-N 0 1 219.319 3.444 20 0 BGADMN Fc1ccc(CNCC2(F)CC2)cc1Cl ZINC000393621446 357290923 /nfs/dbraw/zinc/29/09/23/357290923.db2.gz UKLGFZWKKFEZGG-UHFFFAOYSA-N 0 1 231.673 3.071 20 0 BGADMN Cn1ccc(CNCc2cscc2Cl)c1 ZINC000393635072 582830708 /nfs/dbraw/zinc/83/07/08/582830708.db2.gz WOBFLYLJKJUMOE-UHFFFAOYSA-N 0 1 240.759 3.030 20 0 BGADMN C[C@H]1CN(C/C(Cl)=C\Cl)C(C)(C)C1 ZINC000393713811 711170325 /nfs/dbraw/zinc/17/03/25/711170325.db2.gz IPDKXTNKCJUXIO-CBVZUMJXSA-N 0 1 222.159 3.426 20 0 BGADMN C[C@@H]1CN(C/C(Cl)=C\Cl)C(C)(C)C1 ZINC000393713812 711171020 /nfs/dbraw/zinc/17/10/20/711171020.db2.gz IPDKXTNKCJUXIO-MOIHINDBSA-N 0 1 222.159 3.426 20 0 BGADMN CC(C)CCCN1CCC=C(Br)C1 ZINC000393719519 711170659 /nfs/dbraw/zinc/17/06/59/711170659.db2.gz MPXOWJSVHHTCMJ-UHFFFAOYSA-N 0 1 246.192 3.407 20 0 BGADMN C[C@@H](NCc1ncc(C2CC2)o1)C(C)(C)C ZINC000393764584 343923597 /nfs/dbraw/zinc/92/35/97/343923597.db2.gz OXSTUEVEBHAVMD-SECBINFHSA-N 0 1 222.332 3.076 20 0 BGADMN C[C@@H](NCc1cccc(F)n1)c1cccs1 ZINC000393768645 711677607 /nfs/dbraw/zinc/67/76/07/711677607.db2.gz CVBPTEGYYKANMP-SECBINFHSA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NCc1cccc(F)n1)c1cccs1 ZINC000393768648 710673552 /nfs/dbraw/zinc/67/35/52/710673552.db2.gz CVBPTEGYYKANMP-VIFPVBQESA-N 0 1 236.315 3.133 20 0 BGADMN CC[C@H](F)CNC(C)(C)c1ccccc1F ZINC000393785869 388013733 /nfs/dbraw/zinc/01/37/33/388013733.db2.gz URNXAVKHFKSFQA-JTQLQIEISA-N 0 1 227.298 3.399 20 0 BGADMN CC[C@@H](F)CNC(C)(C)c1ccccc1F ZINC000393785870 388014237 /nfs/dbraw/zinc/01/42/37/388014237.db2.gz URNXAVKHFKSFQA-SNVBAGLBSA-N 0 1 227.298 3.399 20 0 BGADMN Cc1nnc(CN[C@H](C)CCC(C)(C)C)s1 ZINC000393798650 357299903 /nfs/dbraw/zinc/29/99/03/357299903.db2.gz LDIWKOPQYWSDCK-SECBINFHSA-N 0 1 241.404 3.151 20 0 BGADMN Cc1nnc(CN[C@@H](C)CCC(C)(C)C)s1 ZINC000393798666 357300035 /nfs/dbraw/zinc/30/00/35/357300035.db2.gz LDIWKOPQYWSDCK-VIFPVBQESA-N 0 1 241.404 3.151 20 0 BGADMN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCC(C)(F)F ZINC000393915116 357306950 /nfs/dbraw/zinc/30/69/50/357306950.db2.gz HDRVKYIXRIXLHS-AXFHLTTASA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1C[C@H](C)CC[C@H]1NCC(C)(F)F ZINC000393915117 357306516 /nfs/dbraw/zinc/30/65/16/357306516.db2.gz HDRVKYIXRIXLHS-GMTAPVOTSA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1C[C@@H](C)CC[C@H]1NCC(C)(F)F ZINC000393915118 357307040 /nfs/dbraw/zinc/30/70/40/357307040.db2.gz HDRVKYIXRIXLHS-HBNTYKKESA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1C[C@H](C)CC[C@@H]1NCC(C)(F)F ZINC000393915119 357306679 /nfs/dbraw/zinc/30/66/79/357306679.db2.gz HDRVKYIXRIXLHS-MXWKQRLJSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccco1 ZINC000393922053 388445984 /nfs/dbraw/zinc/44/59/84/388445984.db2.gz AYDVCAXOHGPHAA-GMTAPVOTSA-N 0 1 211.280 3.211 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccco1 ZINC000393922054 388446505 /nfs/dbraw/zinc/44/65/05/388446505.db2.gz AYDVCAXOHGPHAA-HBNTYKKESA-N 0 1 211.280 3.211 20 0 BGADMN CC(C)=CCC[C@H](C)NCC(C)(F)F ZINC000393924300 357307048 /nfs/dbraw/zinc/30/70/48/357307048.db2.gz PUFDTLLBWGFWKN-JTQLQIEISA-N 0 1 205.292 3.366 20 0 BGADMN CC(C)=CCC[C@@H](C)NCC(C)(F)F ZINC000393924301 357306784 /nfs/dbraw/zinc/30/67/84/357306784.db2.gz PUFDTLLBWGFWKN-SNVBAGLBSA-N 0 1 205.292 3.366 20 0 BGADMN CC1=CCC[C@@H](C)[C@@H]1CNCC(C)(F)F ZINC000393969838 357322285 /nfs/dbraw/zinc/32/22/85/357322285.db2.gz PKQDIQLOCPWRTJ-GHMZBOCLSA-N 0 1 217.303 3.224 20 0 BGADMN CC1=CCC[C@@H](C)[C@H]1CNCC(C)(F)F ZINC000393970132 357322107 /nfs/dbraw/zinc/32/21/07/357322107.db2.gz PKQDIQLOCPWRTJ-MNOVXSKESA-N 0 1 217.303 3.224 20 0 BGADMN CC1=CCC[C@H](C)[C@H]1CNCC(C)(F)F ZINC000393970133 357322129 /nfs/dbraw/zinc/32/21/29/357322129.db2.gz PKQDIQLOCPWRTJ-QWRGUYRKSA-N 0 1 217.303 3.224 20 0 BGADMN CC1=CCC[C@H](C)[C@@H]1CNCC(C)(F)F ZINC000393970134 357321925 /nfs/dbraw/zinc/32/19/25/357321925.db2.gz PKQDIQLOCPWRTJ-WDEREUQCSA-N 0 1 217.303 3.224 20 0 BGADMN CCOCC(C)(C)NCc1cscc1Cl ZINC000393972163 410769497 /nfs/dbraw/zinc/76/94/97/410769497.db2.gz RNVAFDQQPMYACB-UHFFFAOYSA-N 0 1 247.791 3.306 20 0 BGADMN C[N@@H+](CCCC1CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000394443660 711192608 /nfs/dbraw/zinc/19/26/08/711192608.db2.gz LWAHATOYCYDUNJ-UHFFFAOYSA-N 0 1 247.338 3.007 20 0 BGADMN Cc1cc(CNCCC2CCCCCC2)no1 ZINC000394527419 357364077 /nfs/dbraw/zinc/36/40/77/357364077.db2.gz GPYWLZCZCXUPJO-UHFFFAOYSA-N 0 1 236.359 3.433 20 0 BGADMN CCc1cc(=O)n(-c2ccc(C)cc2Cl)[nH]1 ZINC000394529314 358942474 /nfs/dbraw/zinc/94/24/74/358942474.db2.gz WIENBFUVGRRWJB-UHFFFAOYSA-N 0 1 236.702 3.151 20 0 BGADMN Cc1cnc(CNCC2(C)CCCCC2)o1 ZINC000394588093 360982551 /nfs/dbraw/zinc/98/25/51/360982551.db2.gz CQSBEKQLEOTMAU-UHFFFAOYSA-N 0 1 222.332 3.043 20 0 BGADMN Cc1csc(CNCc2ccnn2C(C)C)c1 ZINC000394602534 385250881 /nfs/dbraw/zinc/25/08/81/385250881.db2.gz LDXVLDFVMJJLNN-UHFFFAOYSA-N 0 1 249.383 3.124 20 0 BGADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCC1CCCCCC1 ZINC000394621077 410812545 /nfs/dbraw/zinc/81/25/45/410812545.db2.gz LMYVWPBSKNZPCE-CYBMUJFWSA-N 0 1 241.375 3.142 20 0 BGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CCCCCC1 ZINC000394621078 410812827 /nfs/dbraw/zinc/81/28/27/410812827.db2.gz LMYVWPBSKNZPCE-ZDUSSCGKSA-N 0 1 241.375 3.142 20 0 BGADMN C[N@@H+](CCCC(=O)[O-])CCC1CCCCCC1 ZINC000394623833 397909520 /nfs/dbraw/zinc/90/95/20/397909520.db2.gz MMSRNHXAZIAPAY-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN Cc1cnc(CNCC2(C)CCCCCC2)o1 ZINC000394638808 633240220 /nfs/dbraw/zinc/24/02/20/633240220.db2.gz KXIPTWZSCSOSSK-UHFFFAOYSA-N 0 1 236.359 3.433 20 0 BGADMN CC[N@H+](CCC(=O)[O-])CCC1CCCCCC1 ZINC000394643957 487769813 /nfs/dbraw/zinc/76/98/13/487769813.db2.gz WDIOUVKLGRQRRP-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN CC(C)n1nccc1CN[C@H](C)c1ccsc1 ZINC000394653283 487778594 /nfs/dbraw/zinc/77/85/94/487778594.db2.gz VRHIUWCWAIXOQD-LLVKDONJSA-N 0 1 249.383 3.376 20 0 BGADMN CC(C)n1nccc1CN[C@@H](C)c1ccsc1 ZINC000394653284 487778705 /nfs/dbraw/zinc/77/87/05/487778705.db2.gz VRHIUWCWAIXOQD-NSHDSACASA-N 0 1 249.383 3.376 20 0 BGADMN CC1(CNCC(F)F)CCCCCC1 ZINC000394681996 323090597 /nfs/dbraw/zinc/09/05/97/323090597.db2.gz YOHOGNHVKQEAGC-UHFFFAOYSA-N 0 1 205.292 3.202 20 0 BGADMN Cc1cnc(CN[C@@H]2CC23CCCCC3)s1 ZINC000394740074 350232571 /nfs/dbraw/zinc/23/25/71/350232571.db2.gz XVKCGJRJSJGTMJ-LLVKDONJSA-N 0 1 236.384 3.264 20 0 BGADMN Cc1cnc(CN[C@H]2CC23CCCCC3)s1 ZINC000394740075 342820387 /nfs/dbraw/zinc/82/03/87/342820387.db2.gz XVKCGJRJSJGTMJ-NSHDSACASA-N 0 1 236.384 3.264 20 0 BGADMN CCc1cnc(CNCC2=CCCCC2)s1 ZINC000394940786 386472358 /nfs/dbraw/zinc/47/23/58/386472358.db2.gz PZCPDPMPLHORJL-UHFFFAOYSA-N 0 1 236.384 3.296 20 0 BGADMN CC/C=C\CN[C@H](C)c1nc(C)sc1C ZINC000394990376 410834662 /nfs/dbraw/zinc/83/46/62/410834662.db2.gz AZZMSFNLFXWHID-ATJFRQLMSA-N 0 1 224.373 3.377 20 0 BGADMN CC/C=C\CN[C@@H](C)c1nc(C)sc1C ZINC000394990378 410834058 /nfs/dbraw/zinc/83/40/58/410834058.db2.gz AZZMSFNLFXWHID-NMTCXDENSA-N 0 1 224.373 3.377 20 0 BGADMN CC/C=C/CN[C@@H](C)c1nc(C)sc1C ZINC000394990379 410834630 /nfs/dbraw/zinc/83/46/30/410834630.db2.gz AZZMSFNLFXWHID-UCUJLANTSA-N 0 1 224.373 3.377 20 0 BGADMN CC/C=C/CN[C@H](C)c1nc(C)sc1C ZINC000394990380 410834038 /nfs/dbraw/zinc/83/40/38/410834038.db2.gz AZZMSFNLFXWHID-XCODYQFDSA-N 0 1 224.373 3.377 20 0 BGADMN CC/C=C\CNCc1cc(F)c(F)cc1F ZINC000395008660 386802168 /nfs/dbraw/zinc/80/21/68/386802168.db2.gz IQFQRDMCPOSPFT-ARJAWSKDSA-N 0 1 229.245 3.160 20 0 BGADMN CC/C=C/CNCc1cc(F)c(F)cc1F ZINC000395008676 386802942 /nfs/dbraw/zinc/80/29/42/386802942.db2.gz IQFQRDMCPOSPFT-ONEGZZNKSA-N 0 1 229.245 3.160 20 0 BGADMN CCc1cnc(CN[C@@H]2C[C@H]2CC(C)C)s1 ZINC000395021824 323185158 /nfs/dbraw/zinc/18/51/58/323185158.db2.gz RVMTZKTZOYHAPO-ZYHUDNBSSA-N 0 1 238.400 3.230 20 0 BGADMN C/C=C\CNCc1cc(Cl)ccc1F ZINC000395026627 344028248 /nfs/dbraw/zinc/02/82/48/344028248.db2.gz FXHJWSUQDITLEK-IHWYPQMZSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C/CNCc1cc(Cl)ccc1F ZINC000395026629 344028267 /nfs/dbraw/zinc/02/82/67/344028267.db2.gz FXHJWSUQDITLEK-NSCUHMNNSA-N 0 1 213.683 3.145 20 0 BGADMN C/C=C\CNCc1sccc1Cl ZINC000395117410 344082297 /nfs/dbraw/zinc/08/22/97/344082297.db2.gz LIDFQRYLKLVZJA-IHWYPQMZSA-N 0 1 201.722 3.067 20 0 BGADMN C/C=C/CNCc1sccc1Cl ZINC000395117411 344082220 /nfs/dbraw/zinc/08/22/20/344082220.db2.gz LIDFQRYLKLVZJA-NSCUHMNNSA-N 0 1 201.722 3.067 20 0 BGADMN C/C=C/CNCc1nc(C(C)(C)C)cs1 ZINC000395135516 711203286 /nfs/dbraw/zinc/20/32/86/711203286.db2.gz RPSJJDUNVYWILW-AATRIKPKSA-N 0 1 224.373 3.106 20 0 BGADMN C/C=C\CNCc1nc(C(C)(C)C)cs1 ZINC000395135517 711203200 /nfs/dbraw/zinc/20/32/00/711203200.db2.gz RPSJJDUNVYWILW-WAYWQWQTSA-N 0 1 224.373 3.106 20 0 BGADMN Cc1cc(Cl)cc(CNCc2ccccn2)c1 ZINC000395140021 410840659 /nfs/dbraw/zinc/84/06/59/410840659.db2.gz BUSWLKSEIVLSPK-UHFFFAOYSA-N 0 1 246.741 3.333 20 0 BGADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCC1CCCCC1 ZINC000395163709 410839190 /nfs/dbraw/zinc/83/91/90/410839190.db2.gz FHSHFQOWUDMCLS-CYBMUJFWSA-N 0 1 241.375 3.142 20 0 BGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCC1CCCCC1 ZINC000395163710 410839982 /nfs/dbraw/zinc/83/99/82/410839982.db2.gz FHSHFQOWUDMCLS-ZDUSSCGKSA-N 0 1 241.375 3.142 20 0 BGADMN Cc1cnc(CNCCCC2CCCCC2)o1 ZINC000395181640 633832416 /nfs/dbraw/zinc/83/24/16/633832416.db2.gz RJLHCAJXJLFHLN-UHFFFAOYSA-N 0 1 236.359 3.433 20 0 BGADMN CCC[N@@H+](CCCC1CCCCC1)CC(=O)[O-] ZINC000395184318 386971713 /nfs/dbraw/zinc/97/17/13/386971713.db2.gz LSBNXZHHEDCUFU-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN CC[N@@H+](CCCC1CCCCC1)CCC(=O)[O-] ZINC000395184909 711205153 /nfs/dbraw/zinc/20/51/53/711205153.db2.gz MCMISUDOIAHYNF-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN CC1(C)CC([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000395187072 487841927 /nfs/dbraw/zinc/84/19/27/487841927.db2.gz SZPAXHPPISKCAM-UHFFFAOYSA-N 0 1 239.746 3.324 20 0 BGADMN C[N@H+](CCCC(=O)[O-])CCCC1CCCCC1 ZINC000395188567 386970169 /nfs/dbraw/zinc/97/01/69/386970169.db2.gz NXGQEQYEKQOXFT-UHFFFAOYSA-N 0 1 241.375 3.144 20 0 BGADMN CCCN[C@H](C)c1nc(C(CC)CC)no1 ZINC000395278627 711207321 /nfs/dbraw/zinc/20/73/21/711207321.db2.gz ZKKPEBQXICWXNB-SECBINFHSA-N 0 1 225.336 3.034 20 0 BGADMN CCCN[C@@H](C)c1nc(C(CC)CC)no1 ZINC000395278628 711207315 /nfs/dbraw/zinc/20/73/15/711207315.db2.gz ZKKPEBQXICWXNB-VIFPVBQESA-N 0 1 225.336 3.034 20 0 BGADMN CN(Cc1cccnc1Cl)C1CC(C)(C)C1 ZINC000395432620 711209526 /nfs/dbraw/zinc/20/95/26/711209526.db2.gz MHMQKAFRHILMLR-UHFFFAOYSA-N 0 1 238.762 3.355 20 0 BGADMN CCc1nc(CN[C@@H]2C[C@H]2CC(C)C)cs1 ZINC000395440300 386831552 /nfs/dbraw/zinc/83/15/52/386831552.db2.gz LAMULCQCEOTMGK-ZYHUDNBSSA-N 0 1 238.400 3.230 20 0 BGADMN CC(C)[C@H]1CCCC[N@H+]1CCCCCC(=O)[O-] ZINC000395763755 357455627 /nfs/dbraw/zinc/45/56/27/357455627.db2.gz NKARJCBTJOIKCJ-CYBMUJFWSA-N 0 1 241.375 3.142 20 0 BGADMN CC(C)[C@@H]1CCCC[N@H+]1CCCCCC(=O)[O-] ZINC000395763757 357455118 /nfs/dbraw/zinc/45/51/18/357455118.db2.gz NKARJCBTJOIKCJ-ZDUSSCGKSA-N 0 1 241.375 3.142 20 0 BGADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccncn1 ZINC000395875461 387497352 /nfs/dbraw/zinc/49/73/52/387497352.db2.gz ALNXOFXGKFTVGS-CHWSQXEVSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccncn1 ZINC000395875463 387496979 /nfs/dbraw/zinc/49/69/79/387496979.db2.gz ALNXOFXGKFTVGS-OLZOCXBDSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccccc1[C@H](C)N[C@H](C)c1ccncn1 ZINC000395875466 387496166 /nfs/dbraw/zinc/49/61/66/387496166.db2.gz ALNXOFXGKFTVGS-QWHCGFSZSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccncn1 ZINC000395875469 387496386 /nfs/dbraw/zinc/49/63/86/387496386.db2.gz ALNXOFXGKFTVGS-STQMWFEESA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000395876303 387496131 /nfs/dbraw/zinc/49/61/31/387496131.db2.gz ASSYMAYFBLFOKR-CHWSQXEVSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000395876304 387496155 /nfs/dbraw/zinc/49/61/55/387496155.db2.gz ASSYMAYFBLFOKR-OLZOCXBDSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccc([C@H](C)N[C@H](C)c2ccncn2)cc1 ZINC000395876306 387496026 /nfs/dbraw/zinc/49/60/26/387496026.db2.gz ASSYMAYFBLFOKR-QWHCGFSZSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccncn2)cc1 ZINC000395876307 387497025 /nfs/dbraw/zinc/49/70/25/387497025.db2.gz ASSYMAYFBLFOKR-STQMWFEESA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cccc([C@@H](C)N[C@H](C)c2ccncn2)c1 ZINC000395937708 387512565 /nfs/dbraw/zinc/51/25/65/387512565.db2.gz UKFCVDOACVASHF-CHWSQXEVSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccncn2)c1 ZINC000395937713 387513206 /nfs/dbraw/zinc/51/32/06/387513206.db2.gz UKFCVDOACVASHF-OLZOCXBDSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cccc([C@H](C)N[C@H](C)c2ccncn2)c1 ZINC000395937716 387512485 /nfs/dbraw/zinc/51/24/85/387512485.db2.gz UKFCVDOACVASHF-QWHCGFSZSA-N 0 1 241.338 3.197 20 0 BGADMN Cc1cccc([C@H](C)N[C@@H](C)c2ccncn2)c1 ZINC000395937719 262794871 /nfs/dbraw/zinc/79/48/71/262794871.db2.gz UKFCVDOACVASHF-STQMWFEESA-N 0 1 241.338 3.197 20 0 BGADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000395940685 387515938 /nfs/dbraw/zinc/51/59/38/387515938.db2.gz UZLFFCKZNNDXED-GXTWGEPZSA-N 0 1 241.338 3.279 20 0 BGADMN CC[C@H](N[C@@H](C)c1ccncn1)c1ccccc1 ZINC000395940686 387514787 /nfs/dbraw/zinc/51/47/87/387514787.db2.gz UZLFFCKZNNDXED-JSGCOSHPSA-N 0 1 241.338 3.279 20 0 BGADMN CC[C@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000395940687 387515701 /nfs/dbraw/zinc/51/57/01/387515701.db2.gz UZLFFCKZNNDXED-OCCSQVGLSA-N 0 1 241.338 3.279 20 0 BGADMN CC[C@@H](N[C@H](C)c1ccncn1)c1ccccc1 ZINC000395940688 387515487 /nfs/dbraw/zinc/51/54/87/387515487.db2.gz UZLFFCKZNNDXED-TZMCWYRMSA-N 0 1 241.338 3.279 20 0 BGADMN CC[C@@H](N[C@H](C)c1ccncn1)c1cccs1 ZINC000396004708 323281935 /nfs/dbraw/zinc/28/19/35/323281935.db2.gz YXPOGGBQBZHEEF-GHMZBOCLSA-N 0 1 247.367 3.340 20 0 BGADMN CC[C@H](N[C@H](C)c1ccncn1)c1cccs1 ZINC000396004710 323281690 /nfs/dbraw/zinc/28/16/90/323281690.db2.gz YXPOGGBQBZHEEF-MNOVXSKESA-N 0 1 247.367 3.340 20 0 BGADMN CC[C@H](N[C@@H](C)c1ccncn1)c1cccs1 ZINC000396004711 323281636 /nfs/dbraw/zinc/28/16/36/323281636.db2.gz YXPOGGBQBZHEEF-QWRGUYRKSA-N 0 1 247.367 3.340 20 0 BGADMN CC[C@@H](N[C@@H](C)c1ccncn1)c1cccs1 ZINC000396004713 323282059 /nfs/dbraw/zinc/28/20/59/323282059.db2.gz YXPOGGBQBZHEEF-WDEREUQCSA-N 0 1 247.367 3.340 20 0 BGADMN CC(C)OCC(C)(C)NCc1ccc(Cl)o1 ZINC000396437036 386761716 /nfs/dbraw/zinc/76/17/16/386761716.db2.gz FSHSLQYVAZIAML-UHFFFAOYSA-N 0 1 245.750 3.226 20 0 BGADMN CC[C@@H](NCc1ccc(C)nn1)c1cccs1 ZINC000396605381 323313129 /nfs/dbraw/zinc/31/31/29/323313129.db2.gz CFFBZACSCVHGBT-GFCCVEGCSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1ccc(C)nn1)c1cccs1 ZINC000396605384 323313030 /nfs/dbraw/zinc/31/30/30/323313030.db2.gz CFFBZACSCVHGBT-LBPRGKRZSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1ccc(C)nn1)c1ccccc1 ZINC000396621264 323394188 /nfs/dbraw/zinc/39/41/88/323394188.db2.gz HTIVXBCJFWVOHG-HNNXBMFYSA-N 0 1 241.338 3.026 20 0 BGADMN CC[C@@H](NCc1ccc(C)nn1)c1ccccc1 ZINC000396622108 323393977 /nfs/dbraw/zinc/39/39/77/323393977.db2.gz HTIVXBCJFWVOHG-OAHLLOKOSA-N 0 1 241.338 3.026 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccc(C)nn2)s1 ZINC000396715776 711365878 /nfs/dbraw/zinc/36/58/78/711365878.db2.gz SZPMJEKWCJXICJ-LLVKDONJSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ccc([C@H](C)NCc2ccc(C)nn2)s1 ZINC000396715778 711367256 /nfs/dbraw/zinc/36/72/56/711367256.db2.gz SZPMJEKWCJXICJ-NSHDSACASA-N 0 1 247.367 3.006 20 0 BGADMN CC1(C)C[C@@H](NCc2ccsc2Cl)CO1 ZINC000396811457 488022760 /nfs/dbraw/zinc/02/27/60/488022760.db2.gz RCRRYBSYHADYOL-SECBINFHSA-N 0 1 245.775 3.059 20 0 BGADMN CC1(C)C[C@H](NCc2ccsc2Cl)CO1 ZINC000396811458 488022738 /nfs/dbraw/zinc/02/27/38/488022738.db2.gz RCRRYBSYHADYOL-VIFPVBQESA-N 0 1 245.775 3.059 20 0 BGADMN Cc1cc(C)c(CN[C@H](C)c2cncs2)cn1 ZINC000396967486 387522959 /nfs/dbraw/zinc/52/29/59/387522959.db2.gz CVAXIFNGWYEOEM-LLVKDONJSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1cc(C)c(CN[C@@H](C)c2cncs2)cn1 ZINC000396967488 262828871 /nfs/dbraw/zinc/82/88/71/262828871.db2.gz CVAXIFNGWYEOEM-NSHDSACASA-N 0 1 247.367 3.006 20 0 BGADMN Cc1cc(C)c(CN[C@H](C)c2ccoc2)cn1 ZINC000397000941 350033441 /nfs/dbraw/zinc/03/34/41/350033441.db2.gz IBDBQIIXVBWJDC-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc(C)c(CN[C@@H](C)c2ccoc2)cn1 ZINC000397000944 350033669 /nfs/dbraw/zinc/03/36/69/350033669.db2.gz IBDBQIIXVBWJDC-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc(C)c(CN[C@H](C)c2ccco2)cn1 ZINC000397002911 387531263 /nfs/dbraw/zinc/53/12/63/387531263.db2.gz IXMBIJLKSXXLGR-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc(C)c(CN[C@@H](C)c2ccco2)cn1 ZINC000397002912 387531538 /nfs/dbraw/zinc/53/15/38/387531538.db2.gz IXMBIJLKSXXLGR-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cccc(NC[C@H](C)CC(F)(F)F)n1 ZINC000397017288 387529045 /nfs/dbraw/zinc/52/90/45/387529045.db2.gz QMRCWAGUKXAWJN-MRVPVSSYSA-N 0 1 232.249 3.390 20 0 BGADMN Cc1cccc(NC[C@@H](C)CC(F)(F)F)n1 ZINC000397017300 387531101 /nfs/dbraw/zinc/53/11/01/387531101.db2.gz QMRCWAGUKXAWJN-QMMMGPOBSA-N 0 1 232.249 3.390 20 0 BGADMN Cc1ccnc(NC[C@H](C)CC(F)(F)F)c1 ZINC000397030298 387533287 /nfs/dbraw/zinc/53/32/87/387533287.db2.gz XMBDAXRLEIPWJE-SECBINFHSA-N 0 1 232.249 3.390 20 0 BGADMN Cc1ccnc(NC[C@@H](C)CC(F)(F)F)c1 ZINC000397030300 387533308 /nfs/dbraw/zinc/53/33/08/387533308.db2.gz XMBDAXRLEIPWJE-VIFPVBQESA-N 0 1 232.249 3.390 20 0 BGADMN CCc1ccc(CNCc2cnc(C)cc2C)o1 ZINC000397049661 387532849 /nfs/dbraw/zinc/53/28/49/387532849.db2.gz 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0 BGADMN C[C@@H](N[C@@H](C)[C@H]1CC1(C)C)C(C)(F)F ZINC000397765720 262932711 /nfs/dbraw/zinc/93/27/11/262932711.db2.gz LWBJSFFIZGNNHB-DJLDLDEBSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@H]1CC1(C)C ZINC000397765721 388497013 /nfs/dbraw/zinc/49/70/13/388497013.db2.gz LWBJSFFIZGNNHB-XHNCKOQMSA-N 0 1 205.292 3.054 20 0 BGADMN C[C@@H](N[C@@H](C)[C@@H]1CC1(C)C)C(C)(F)F ZINC000397765723 388497093 /nfs/dbraw/zinc/49/70/93/388497093.db2.gz LWBJSFFIZGNNHB-YIZRAAEISA-N 0 1 205.292 3.054 20 0 BGADMN Cc1ccc(C2CC(NCc3cocn3)C2)cc1 ZINC000397776673 583108285 /nfs/dbraw/zinc/10/82/85/583108285.db2.gz NNSVPFNGQZFSSJ-UHFFFAOYSA-N 0 1 242.322 3.019 20 0 BGADMN Cc1cccc(CC[C@@H](C)NCc2cocn2)c1 ZINC000397820760 634214692 /nfs/dbraw/zinc/21/46/92/634214692.db2.gz DVEXUCMKHOYMGF-CYBMUJFWSA-N 0 1 244.338 3.094 20 0 BGADMN Cc1cccc(CC[C@H](C)NCc2cocn2)c1 ZINC000397820761 634213093 /nfs/dbraw/zinc/21/30/93/634213093.db2.gz DVEXUCMKHOYMGF-ZDUSSCGKSA-N 0 1 244.338 3.094 20 0 BGADMN Cc1ncc(CN[C@@H](c2cccs2)C2CC2)o1 ZINC000397888499 488162395 /nfs/dbraw/zinc/16/23/95/488162395.db2.gz QEKBXXJYMSSTDK-CYBMUJFWSA-N 0 1 248.351 3.285 20 0 BGADMN Cc1ncc(CN[C@H](c2cccs2)C2CC2)o1 ZINC000397888501 488162275 /nfs/dbraw/zinc/16/22/75/488162275.db2.gz QEKBXXJYMSSTDK-ZDUSSCGKSA-N 0 1 248.351 3.285 20 0 BGADMN CC[C@H](NCc1cnc(C)o1)c1ccc(F)cc1 ZINC000397913042 411243879 /nfs/dbraw/zinc/24/38/79/411243879.db2.gz IQYYMQBYUBJCRS-AWEZNQCLSA-N 0 1 248.301 3.363 20 0 BGADMN CC[C@@H](NCc1cnc(C)o1)c1ccc(F)cc1 ZINC000397913044 262939958 /nfs/dbraw/zinc/93/99/58/262939958.db2.gz IQYYMQBYUBJCRS-CQSZACIVSA-N 0 1 248.301 3.363 20 0 BGADMN Cc1ncc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000397914316 398124620 /nfs/dbraw/zinc/12/46/20/398124620.db2.gz FTVGQTJWBIIUHX-HNNXBMFYSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1ncc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000397914317 398124342 /nfs/dbraw/zinc/12/43/42/398124342.db2.gz FTVGQTJWBIIUHX-OAHLLOKOSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1ncc(CN[C@H](c2ccccc2)C(C)C)o1 ZINC000397916854 262940590 /nfs/dbraw/zinc/94/05/90/262940590.db2.gz HQGNPOUJTRELHU-HNNXBMFYSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1ncc(CN[C@@H](c2ccccc2)C(C)C)o1 ZINC000397916856 262940705 /nfs/dbraw/zinc/94/07/05/262940705.db2.gz HQGNPOUJTRELHU-OAHLLOKOSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1nocc1CNCc1cccc(C2CC2)c1 ZINC000397928849 362956400 /nfs/dbraw/zinc/95/64/00/362956400.db2.gz CNPUEVQLRLCSSC-UHFFFAOYSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1ncc(CN[C@H](C)c2ccc(C)c(C)c2)o1 ZINC000397945389 388512910 /nfs/dbraw/zinc/51/29/10/388512910.db2.gz LTKNYJBMXJODJH-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000397945392 262941108 /nfs/dbraw/zinc/94/11/08/262941108.db2.gz LTKNYJBMXJODJH-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN CCc1ccc([C@@H](C)NCc2cnc(C)o2)cc1 ZINC000397951033 388512562 /nfs/dbraw/zinc/51/25/62/388512562.db2.gz PDXFXFKLXOEXIQ-LLVKDONJSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ccc([C@H](C)NCc2cnc(C)o2)cc1 ZINC000397951035 388512852 /nfs/dbraw/zinc/51/28/52/388512852.db2.gz PDXFXFKLXOEXIQ-NSHDSACASA-N 0 1 244.338 3.396 20 0 BGADMN Cc1ncc(CNCc2cc(C)c(C)cc2C)o1 ZINC000397951061 411244844 /nfs/dbraw/zinc/24/48/44/411244844.db2.gz PFAUFMYLGQKZST-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN Cc1ncc(CNCc2c(C)cc(C)cc2C)o1 ZINC000397955558 388513697 /nfs/dbraw/zinc/51/36/97/388513697.db2.gz RINFRPNKNJGGPV-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN Cc1ncc(CN[C@H](C)c2ccc(C)cc2C)o1 ZINC000397957942 388513583 /nfs/dbraw/zinc/51/35/83/388513583.db2.gz SVDUXLONVIFFRZ-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2ccc(C)cc2C)o1 ZINC000397957945 388513297 /nfs/dbraw/zinc/51/32/97/388513297.db2.gz SVDUXLONVIFFRZ-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1nocc1CN[C@@H](C)c1cccc(C)c1 ZINC000397958362 388513984 /nfs/dbraw/zinc/51/39/84/388513984.db2.gz SXMBYCBFISGHLK-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ncc(CN[C@H](C)c2cc(C)cc(C)c2)o1 ZINC000397962216 388513815 /nfs/dbraw/zinc/51/38/15/388513815.db2.gz VRPJXNGHHYTWRR-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000397962463 388513835 /nfs/dbraw/zinc/51/38/35/388513835.db2.gz VRPJXNGHHYTWRR-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1nocc1CNCc1cc(C)c(C)cc1C ZINC000397964964 362975493 /nfs/dbraw/zinc/97/54/93/362975493.db2.gz XEPIKKSYCIWPSE-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN Cc1ncc(CN[C@H](C)c2cc(C)ccc2C)o1 ZINC000397969985 388514017 /nfs/dbraw/zinc/51/40/17/388514017.db2.gz ZUHIQYSRGRKVNS-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2cc(C)ccc2C)o1 ZINC000397969986 388513800 /nfs/dbraw/zinc/51/38/00/388513800.db2.gz ZUHIQYSRGRKVNS-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ncc(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000397976162 388513657 /nfs/dbraw/zinc/51/36/57/388513657.db2.gz KLJUVUVLCFRYSZ-LLVKDONJSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000397976164 388513535 /nfs/dbraw/zinc/51/35/35/388513535.db2.gz KLJUVUVLCFRYSZ-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN CC[C@H](NCc1cnc(C)o1)c1ccccc1 ZINC000397992565 388514624 /nfs/dbraw/zinc/51/46/24/388514624.db2.gz QEJMPCGPSDSJDF-AWEZNQCLSA-N 0 1 230.311 3.224 20 0 BGADMN CC[C@@H](NCc1cnc(C)o1)c1ccccc1 ZINC000397992566 388514228 /nfs/dbraw/zinc/51/42/28/388514228.db2.gz QEJMPCGPSDSJDF-CQSZACIVSA-N 0 1 230.311 3.224 20 0 BGADMN Cc1ncc(CN[C@H](C)c2ccccc2C)o1 ZINC000397998310 388514440 /nfs/dbraw/zinc/51/44/40/388514440.db2.gz SVVBTVORACOQTG-LLVKDONJSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2ccccc2C)o1 ZINC000397998312 388514594 /nfs/dbraw/zinc/51/45/94/388514594.db2.gz SVVBTVORACOQTG-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN Cc1nocc1CN[C@H]1CCc2ccc(C)cc21 ZINC000398000137 410939065 /nfs/dbraw/zinc/93/90/65/410939065.db2.gz UYWMCFAUTTULPQ-HNNXBMFYSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1nocc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000398000382 410938183 /nfs/dbraw/zinc/93/81/83/410938183.db2.gz UYWMCFAUTTULPQ-OAHLLOKOSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1nocc1CNCc1ccccc1C1CC1 ZINC000398001579 362985393 /nfs/dbraw/zinc/98/53/93/362985393.db2.gz VUPSHTTWXYXLHA-UHFFFAOYSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1ncc(CN[C@H](C)c2cccc(C)c2)o1 ZINC000398004976 388514479 /nfs/dbraw/zinc/51/44/79/388514479.db2.gz XJTZUCAJXKRNII-LLVKDONJSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000398004977 388514372 /nfs/dbraw/zinc/51/43/72/388514372.db2.gz XJTZUCAJXKRNII-NSHDSACASA-N 0 1 230.311 3.142 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cnc(C)o2)s1 ZINC000398044922 388515978 /nfs/dbraw/zinc/51/59/78/388515978.db2.gz BFKXKYLNARHGHZ-SECBINFHSA-N 0 1 236.340 3.204 20 0 BGADMN Cc1ccc([C@H](C)NCc2cnc(C)o2)s1 ZINC000398044924 388515646 /nfs/dbraw/zinc/51/56/46/388515646.db2.gz BFKXKYLNARHGHZ-VIFPVBQESA-N 0 1 236.340 3.204 20 0 BGADMN CC[C@H](N[C@@H]1CCCC1(F)F)[C@@H]1C[C@H]1C ZINC000398046562 488190598 /nfs/dbraw/zinc/19/05/98/488190598.db2.gz WAZJXLAUDUBIPS-CHWFTXMASA-N 0 1 217.303 3.198 20 0 BGADMN CC[C@H](N[C@@H]1CCCC1(F)F)[C@H]1C[C@H]1C ZINC000398046563 488190533 /nfs/dbraw/zinc/19/05/33/488190533.db2.gz WAZJXLAUDUBIPS-VPOLOUISSA-N 0 1 217.303 3.198 20 0 BGADMN CC[C@H](N[C@@H]1CCCC1(F)F)[C@H]1C[C@@H]1C ZINC000398046564 538641560 /nfs/dbraw/zinc/64/15/60/538641560.db2.gz WAZJXLAUDUBIPS-XWLWVQCSSA-N 0 1 217.303 3.198 20 0 BGADMN CC[C@H](N[C@@H]1CCCC1(F)F)[C@@H]1C[C@@H]1C ZINC000398046565 488190972 /nfs/dbraw/zinc/19/09/72/488190972.db2.gz WAZJXLAUDUBIPS-ZRUFSTJUSA-N 0 1 217.303 3.198 20 0 BGADMN CC[C@@H](NCc1cnc(C)o1)c1cccs1 ZINC000398052928 388516380 /nfs/dbraw/zinc/51/63/80/388516380.db2.gz GMCDSPLAHMDSIX-LLVKDONJSA-N 0 1 236.340 3.285 20 0 BGADMN CC[C@H](NCc1cnc(C)o1)c1cccs1 ZINC000398052930 388516620 /nfs/dbraw/zinc/51/66/20/388516620.db2.gz GMCDSPLAHMDSIX-NSHDSACASA-N 0 1 236.340 3.285 20 0 BGADMN C[C@]1(CN[C@@H]2CCCC2(F)F)CCCS1 ZINC000398057289 362994034 /nfs/dbraw/zinc/99/40/34/362994034.db2.gz LPDKJZBZZVKFEK-NXEZZACHSA-N 0 1 235.343 3.050 20 0 BGADMN C[C@@]1(CN[C@H]2CCCC2(F)F)CCCS1 ZINC000398057294 362994040 /nfs/dbraw/zinc/99/40/40/362994040.db2.gz LPDKJZBZZVKFEK-UWVGGRQHSA-N 0 1 235.343 3.050 20 0 BGADMN C[C@]1(CN[C@H]2CCCC2(F)F)CCCS1 ZINC000398057305 362994264 /nfs/dbraw/zinc/99/42/64/362994264.db2.gz LPDKJZBZZVKFEK-VHSXEESVSA-N 0 1 235.343 3.050 20 0 BGADMN C[C@@]1(CN[C@@H]2CCCC2(F)F)CCCS1 ZINC000398057319 362994411 /nfs/dbraw/zinc/99/44/11/362994411.db2.gz LPDKJZBZZVKFEK-ZJUUUORDSA-N 0 1 235.343 3.050 20 0 BGADMN Cc1ccsc1[C@@H](C)NCc1cnc(C)o1 ZINC000398066066 388516809 /nfs/dbraw/zinc/51/68/09/388516809.db2.gz MCDNSJBFSBNMTJ-SECBINFHSA-N 0 1 236.340 3.204 20 0 BGADMN Cc1ccsc1[C@H](C)NCc1cnc(C)o1 ZINC000398066070 388517231 /nfs/dbraw/zinc/51/72/31/388517231.db2.gz MCDNSJBFSBNMTJ-VIFPVBQESA-N 0 1 236.340 3.204 20 0 BGADMN CSC(C)(C)CCN[C@@H]1CCCC1(F)F ZINC000398108143 711402264 /nfs/dbraw/zinc/40/22/64/711402264.db2.gz MZSYHJRZMKNDIP-SECBINFHSA-N 0 1 237.359 3.296 20 0 BGADMN CSC(C)(C)CCN[C@H]1CCCC1(F)F ZINC000398108150 711402016 /nfs/dbraw/zinc/40/20/16/711402016.db2.gz MZSYHJRZMKNDIP-VIFPVBQESA-N 0 1 237.359 3.296 20 0 BGADMN FC1(F)CCC[C@H]1N[C@@H]1CCCC12CCC2 ZINC000398146500 410945303 /nfs/dbraw/zinc/94/53/03/410945303.db2.gz XUKXCJOIGYDJDP-GHMZBOCLSA-N 0 1 229.314 3.487 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@@H]1CCCC12CCC2 ZINC000398146501 410944768 /nfs/dbraw/zinc/94/47/68/410944768.db2.gz XUKXCJOIGYDJDP-MNOVXSKESA-N 0 1 229.314 3.487 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@H]1CCCC12CCC2 ZINC000398146502 410944632 /nfs/dbraw/zinc/94/46/32/410944632.db2.gz XUKXCJOIGYDJDP-QWRGUYRKSA-N 0 1 229.314 3.487 20 0 BGADMN FC1(F)CCC[C@H]1N[C@H]1CCCC12CCC2 ZINC000398146503 410944186 /nfs/dbraw/zinc/94/41/86/410944186.db2.gz XUKXCJOIGYDJDP-WDEREUQCSA-N 0 1 229.314 3.487 20 0 BGADMN CCc1cnc(CNC2(C3(C)CC3)CC2)s1 ZINC000398213514 384847471 /nfs/dbraw/zinc/84/74/71/384847471.db2.gz IWUAAEOSBQTOKC-UHFFFAOYSA-N 0 1 236.384 3.128 20 0 BGADMN C[C@@H](NCCCC(C)(C)C)c1csnn1 ZINC000398216748 384847897 /nfs/dbraw/zinc/84/78/97/384847897.db2.gz BHJGMBZDZMQWRJ-SECBINFHSA-N 0 1 227.377 3.015 20 0 BGADMN C[C@H](NCCCC(C)(C)C)c1csnn1 ZINC000398216750 384848088 /nfs/dbraw/zinc/84/80/88/384848088.db2.gz BHJGMBZDZMQWRJ-VIFPVBQESA-N 0 1 227.377 3.015 20 0 BGADMN CCc1nc(CNC2(C3(C)CC3)CC2)cs1 ZINC000398221104 384854327 /nfs/dbraw/zinc/85/43/27/384854327.db2.gz OYHXUUXHOKQTOF-UHFFFAOYSA-N 0 1 236.384 3.128 20 0 BGADMN CCCC[C@@H](CC)CN[C@H](C)c1csnn1 ZINC000398225724 384859246 /nfs/dbraw/zinc/85/92/46/384859246.db2.gz FOROUBSTTHXNMK-GHMZBOCLSA-N 0 1 241.404 3.405 20 0 BGADMN CCCC[C@H](CC)CN[C@H](C)c1csnn1 ZINC000398225725 384856920 /nfs/dbraw/zinc/85/69/20/384856920.db2.gz FOROUBSTTHXNMK-MNOVXSKESA-N 0 1 241.404 3.405 20 0 BGADMN CCCC[C@H](CC)CN[C@@H](C)c1csnn1 ZINC000398225727 384857732 /nfs/dbraw/zinc/85/77/32/384857732.db2.gz FOROUBSTTHXNMK-QWRGUYRKSA-N 0 1 241.404 3.405 20 0 BGADMN CCCC[C@@H](CC)CN[C@@H](C)c1csnn1 ZINC000398225728 384858099 /nfs/dbraw/zinc/85/80/99/384858099.db2.gz FOROUBSTTHXNMK-WDEREUQCSA-N 0 1 241.404 3.405 20 0 BGADMN CC1(C2(NCc3ncc(Cl)s3)CC2)CC1 ZINC000398226522 384858000 /nfs/dbraw/zinc/85/80/00/384858000.db2.gz USVOCIGLFFVEPZ-UHFFFAOYSA-N 0 1 242.775 3.219 20 0 BGADMN CC(C)CC[C@@H](C)N[C@H](C)c1csnn1 ZINC000398228005 384858983 /nfs/dbraw/zinc/85/89/83/384858983.db2.gz GMCNAZXCJMZSBJ-NXEZZACHSA-N 0 1 227.377 3.013 20 0 BGADMN CC(C)CC[C@H](C)N[C@@H](C)c1csnn1 ZINC000398228006 384858939 /nfs/dbraw/zinc/85/89/39/384858939.db2.gz GMCNAZXCJMZSBJ-UWVGGRQHSA-N 0 1 227.377 3.013 20 0 BGADMN CC(C)CC[C@H](C)N[C@H](C)c1csnn1 ZINC000398228007 384858372 /nfs/dbraw/zinc/85/83/72/384858372.db2.gz GMCNAZXCJMZSBJ-VHSXEESVSA-N 0 1 227.377 3.013 20 0 BGADMN CC(C)CC[C@@H](C)N[C@@H](C)c1csnn1 ZINC000398228008 384856807 /nfs/dbraw/zinc/85/68/07/384856807.db2.gz GMCNAZXCJMZSBJ-ZJUUUORDSA-N 0 1 227.377 3.013 20 0 BGADMN CCCCC[C@@H](C)N[C@H](C)c1csnn1 ZINC000398236464 711405708 /nfs/dbraw/zinc/40/57/08/711405708.db2.gz MGPYKFCTMWFRPT-NXEZZACHSA-N 0 1 227.377 3.158 20 0 BGADMN CCCCC[C@H](C)N[C@@H](C)c1csnn1 ZINC000398236465 711405108 /nfs/dbraw/zinc/40/51/08/711405108.db2.gz MGPYKFCTMWFRPT-UWVGGRQHSA-N 0 1 227.377 3.158 20 0 BGADMN CCCCC[C@H](C)N[C@H](C)c1csnn1 ZINC000398236467 711709820 /nfs/dbraw/zinc/70/98/20/711709820.db2.gz MGPYKFCTMWFRPT-VHSXEESVSA-N 0 1 227.377 3.158 20 0 BGADMN CCCCC[C@@H](C)N[C@@H](C)c1csnn1 ZINC000398236729 711405666 /nfs/dbraw/zinc/40/56/66/711405666.db2.gz MGPYKFCTMWFRPT-ZJUUUORDSA-N 0 1 227.377 3.158 20 0 BGADMN CC(C)C(CN[C@@H](C)c1csnn1)C(C)C ZINC000398237137 384860410 /nfs/dbraw/zinc/86/04/10/384860410.db2.gz AQLXMRYNACWUGN-JTQLQIEISA-N 0 1 241.404 3.117 20 0 BGADMN CC(C)C(CN[C@H](C)c1csnn1)C(C)C ZINC000398237138 384861503 /nfs/dbraw/zinc/86/15/03/384861503.db2.gz AQLXMRYNACWUGN-SNVBAGLBSA-N 0 1 241.404 3.117 20 0 BGADMN CCCC(CCC)N[C@H](C)c1csnn1 ZINC000398241574 322867256 /nfs/dbraw/zinc/86/72/56/322867256.db2.gz PHUHIWHFTSWPRP-SECBINFHSA-N 0 1 227.377 3.158 20 0 BGADMN CCCC(CCC)N[C@@H](C)c1csnn1 ZINC000398241575 322867260 /nfs/dbraw/zinc/86/72/60/322867260.db2.gz PHUHIWHFTSWPRP-VIFPVBQESA-N 0 1 227.377 3.158 20 0 BGADMN C[C@H](CCC(C)(C)C)N[C@H](C)c1csnn1 ZINC000398249161 384864260 /nfs/dbraw/zinc/86/42/60/384864260.db2.gz LRNFJMZUYZDHHT-NXEZZACHSA-N 0 1 241.404 3.404 20 0 BGADMN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1csnn1 ZINC000398249163 384866056 /nfs/dbraw/zinc/86/60/56/384866056.db2.gz LRNFJMZUYZDHHT-UWVGGRQHSA-N 0 1 241.404 3.404 20 0 BGADMN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1csnn1 ZINC000398249164 384864720 /nfs/dbraw/zinc/86/47/20/384864720.db2.gz LRNFJMZUYZDHHT-VHSXEESVSA-N 0 1 241.404 3.404 20 0 BGADMN C[C@H](CCC(C)(C)C)N[C@@H](C)c1csnn1 ZINC000398249165 384865667 /nfs/dbraw/zinc/86/56/67/384865667.db2.gz LRNFJMZUYZDHHT-ZJUUUORDSA-N 0 1 241.404 3.404 20 0 BGADMN CCCC[C@@H](CC)N[C@H](C)c1csnn1 ZINC000398255396 322867916 /nfs/dbraw/zinc/86/79/16/322867916.db2.gz ZAVLUFPFCPILEC-NXEZZACHSA-N 0 1 227.377 3.158 20 0 BGADMN CCCC[C@H](CC)N[C@@H](C)c1csnn1 ZINC000398255398 322867798 /nfs/dbraw/zinc/86/77/98/322867798.db2.gz ZAVLUFPFCPILEC-UWVGGRQHSA-N 0 1 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ZINC000398381168 323185385 /nfs/dbraw/zinc/18/53/85/323185385.db2.gz SVCIGWUZCXWNOI-VHSXEESVSA-N 0 1 239.388 3.158 20 0 BGADMN C[C@@H](N[C@@H](C)c1csnn1)C1CCCCC1 ZINC000398381169 323185424 /nfs/dbraw/zinc/18/54/24/323185424.db2.gz SVCIGWUZCXWNOI-ZJUUUORDSA-N 0 1 239.388 3.158 20 0 BGADMN CC[C@H](C)C[C@H](CC)N[C@H](C)c1csnn1 ZINC000398381296 323185482 /nfs/dbraw/zinc/18/54/82/323185482.db2.gz TUWNUWOYNUNVMJ-AXFHLTTASA-N 0 1 241.404 3.404 20 0 BGADMN CC[C@H](C)C[C@H](CC)N[C@@H](C)c1csnn1 ZINC000398381297 323185459 /nfs/dbraw/zinc/18/54/59/323185459.db2.gz TUWNUWOYNUNVMJ-DCAQKATOSA-N 0 1 241.404 3.404 20 0 BGADMN CC[C@H](C[C@@H](C)CC)N[C@@H](C)c1csnn1 ZINC000398381299 323185428 /nfs/dbraw/zinc/18/54/28/323185428.db2.gz TUWNUWOYNUNVMJ-GARJFASQSA-N 0 1 241.404 3.404 20 0 BGADMN CC[C@H](C[C@@H](C)CC)N[C@H](C)c1csnn1 ZINC000398381300 323185456 /nfs/dbraw/zinc/18/54/56/323185456.db2.gz TUWNUWOYNUNVMJ-HBNTYKKESA-N 0 1 241.404 3.404 20 0 BGADMN C[C@H](NCC1CCCCCC1)c1csnn1 ZINC000398385693 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C[C@H](C[N@@H+](C)CCCCCC(=O)[O-])C(C)(C)C ZINC000399589613 368279079 /nfs/dbraw/zinc/27/90/79/368279079.db2.gz QGLZDIUDQYLOMA-GFCCVEGCSA-N 0 1 243.391 3.245 20 0 BGADMN C[C@@H](C[N@@H+](C)CCCCCC(=O)[O-])C(C)(C)C ZINC000399589614 368279032 /nfs/dbraw/zinc/27/90/32/368279032.db2.gz QGLZDIUDQYLOMA-LBPRGKRZSA-N 0 1 243.391 3.245 20 0 BGADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399601580 368313721 /nfs/dbraw/zinc/31/37/21/368313721.db2.gz VIWBUJOTZARDLC-NEPJUHHUSA-N 0 1 243.391 3.244 20 0 BGADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399601581 368314413 /nfs/dbraw/zinc/31/44/13/368314413.db2.gz VIWBUJOTZARDLC-NWDGAFQWSA-N 0 1 243.391 3.244 20 0 BGADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399601582 368313420 /nfs/dbraw/zinc/31/34/20/368313420.db2.gz VIWBUJOTZARDLC-RYUDHWBXSA-N 0 1 243.391 3.244 20 0 BGADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399601583 368314264 /nfs/dbraw/zinc/31/42/64/368314264.db2.gz VIWBUJOTZARDLC-VXGBXAGGSA-N 0 1 243.391 3.244 20 0 BGADMN C[N@@H+](CCC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000399686369 487495078 /nfs/dbraw/zinc/49/50/78/487495078.db2.gz DNEAASMCPDIZCR-CYBMUJFWSA-N 0 1 249.354 3.180 20 0 BGADMN C[N@@H+](CCC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC000399686371 487494910 /nfs/dbraw/zinc/49/49/10/487494910.db2.gz DNEAASMCPDIZCR-ZDUSSCGKSA-N 0 1 249.354 3.180 20 0 BGADMN C[N@@H+](CCC(C)(C)C)Cc1ccccc1C(=O)[O-] ZINC000399733727 487496240 /nfs/dbraw/zinc/49/62/40/487496240.db2.gz SMBNNWRGGLGGDG-UHFFFAOYSA-N 0 1 249.354 3.253 20 0 BGADMN CC[C@]1(C)CCN(Cc2cccnc2Cl)C1 ZINC000399746690 711434065 /nfs/dbraw/zinc/43/40/65/711434065.db2.gz MZKGMQGQJUSWSG-CYBMUJFWSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@]1(C)CCN(Cc2cccnc2Cl)C1 ZINC000399746695 711433781 /nfs/dbraw/zinc/43/37/81/711433781.db2.gz MZKGMQGQJUSWSG-ZDUSSCGKSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@]1(C)CCN(Cc2cccc(Cl)n2)C1 ZINC000399749036 710912053 /nfs/dbraw/zinc/91/20/53/710912053.db2.gz NHSIXOHOXZDPAC-CYBMUJFWSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@]1(C)CCN(Cc2cccc(Cl)n2)C1 ZINC000399749037 710912354 /nfs/dbraw/zinc/91/23/54/710912354.db2.gz NHSIXOHOXZDPAC-ZDUSSCGKSA-N 0 1 238.762 3.357 20 0 BGADMN Cc1scc(CN[C@@H](C)c2cnccn2)c1C ZINC000399767848 368563639 /nfs/dbraw/zinc/56/36/39/368563639.db2.gz JMNAYWFFODHWAM-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1scc(CN[C@H](C)c2cnccn2)c1C ZINC000399767849 368563141 /nfs/dbraw/zinc/56/31/41/368563141.db2.gz JMNAYWFFODHWAM-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1scc(CNCc2ccccn2)c1C ZINC000399771423 368574713 /nfs/dbraw/zinc/57/47/13/368574713.db2.gz NJWTYWZNILIMLM-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN CC[C@]1(C)CCN(Cc2ccnc(Cl)c2)C1 ZINC000399783321 710911747 /nfs/dbraw/zinc/91/17/47/710911747.db2.gz WEDLYTQBHFAMJW-CYBMUJFWSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@]1(C)CCN(Cc2ccnc(Cl)c2)C1 ZINC000399783322 710912786 /nfs/dbraw/zinc/91/27/86/710912786.db2.gz WEDLYTQBHFAMJW-ZDUSSCGKSA-N 0 1 238.762 3.357 20 0 BGADMN Cc1scc(CNCc2ccc(C)cn2)c1C ZINC000399785661 368581332 /nfs/dbraw/zinc/58/13/32/368581332.db2.gz UONFDNRKEBXKDH-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN Cc1scc(CNCc2cncs2)c1C ZINC000399786897 368581693 /nfs/dbraw/zinc/58/16/93/368581693.db2.gz XNQLILVEKRSCOQ-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN CC[C@]1(C)CCN(Cc2ccc(Cl)nc2)C1 ZINC000399788265 710912116 /nfs/dbraw/zinc/91/21/16/710912116.db2.gz XGWUYMBLNLVJMZ-CYBMUJFWSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@]1(C)CCN(Cc2ccc(Cl)nc2)C1 ZINC000399788275 710912591 /nfs/dbraw/zinc/91/25/91/710912591.db2.gz XGWUYMBLNLVJMZ-ZDUSSCGKSA-N 0 1 238.762 3.357 20 0 BGADMN Cc1scc(CNCc2ccc(C#N)o2)c1C ZINC000399793976 357050993 /nfs/dbraw/zinc/05/09/93/357050993.db2.gz YUFYTSMOFBLGIF-UHFFFAOYSA-N 0 1 246.335 3.119 20 0 BGADMN CCn1ccnc1NCc1csc(C)c1C ZINC000399816649 368603054 /nfs/dbraw/zinc/60/30/54/368603054.db2.gz MEPUWJUTBHKQMK-UHFFFAOYSA-N 0 1 235.356 3.193 20 0 BGADMN Cc1scc(CNCc2ccco2)c1C ZINC000399850435 368615989 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QTEYHUPKVNIRMR-NSHDSACASA-N 0 1 244.338 3.058 20 0 BGADMN CC[C@@H](NCc1cnns1)c1ccc(C)cc1 ZINC000400214244 529189010 /nfs/dbraw/zinc/18/90/10/529189010.db2.gz DKISYMGPVVFMGM-CYBMUJFWSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1cnns1)c1ccc(C)cc1 ZINC000400214246 529636072 /nfs/dbraw/zinc/63/60/72/529636072.db2.gz DKISYMGPVVFMGM-ZDUSSCGKSA-N 0 1 247.367 3.087 20 0 BGADMN Cc1ccc(CNCc2ccc(C)c(C)c2)nc1 ZINC000400827215 384772116 /nfs/dbraw/zinc/77/21/16/384772116.db2.gz CKEWBPSFXZHACB-UHFFFAOYSA-N 0 1 240.350 3.297 20 0 BGADMN Cc1ccc(CNCc2ccc(F)cc2C)nc1 ZINC000400835756 384793722 /nfs/dbraw/zinc/79/37/22/384793722.db2.gz KMMQLBFZOGWICO-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(CNCc2cc(F)ccc2C)nc1 ZINC000400869265 384838346 /nfs/dbraw/zinc/83/83/46/384838346.db2.gz VNPFQYRNMXWPRP-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(CNCc2cc(C)cc(C)c2)nc1 ZINC000400872077 487993710 /nfs/dbraw/zinc/99/37/10/487993710.db2.gz XVIIEXHRONGYIM-UHFFFAOYSA-N 0 1 240.350 3.297 20 0 BGADMN 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/nfs/dbraw/zinc/97/88/49/384978849.db2.gz GEFOAWISOIEKEB-JTQLQIEISA-N 0 1 248.351 3.008 20 0 BGADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)sn1 ZINC000404408290 384976289 /nfs/dbraw/zinc/97/62/89/384976289.db2.gz GEFOAWISOIEKEB-SNVBAGLBSA-N 0 1 248.351 3.008 20 0 BGADMN Fc1ccc2c(c1)CC[C@H]2NCc1ccns1 ZINC000404412099 351431394 /nfs/dbraw/zinc/43/13/94/351431394.db2.gz DJWQBQHUYIFVFX-CYBMUJFWSA-N 0 1 248.326 3.059 20 0 BGADMN Fc1ccc2c(c1)CC[C@@H]2NCc1ccns1 ZINC000404412103 351431566 /nfs/dbraw/zinc/43/15/66/351431566.db2.gz DJWQBQHUYIFVFX-ZDUSSCGKSA-N 0 1 248.326 3.059 20 0 BGADMN Fc1cccc2c1CC[C@H]2NCc1ccns1 ZINC000404413427 351431661 /nfs/dbraw/zinc/43/16/61/351431661.db2.gz DVPRTMNMPIJWHN-CYBMUJFWSA-N 0 1 248.326 3.059 20 0 BGADMN Fc1cccc2c1CC[C@@H]2NCc1ccns1 ZINC000404413428 351431769 /nfs/dbraw/zinc/43/17/69/351431769.db2.gz DVPRTMNMPIJWHN-ZDUSSCGKSA-N 0 1 248.326 3.059 20 0 BGADMN Cc1csc(CNCc2cc(C)ns2)c1 ZINC000404422267 384993164 /nfs/dbraw/zinc/99/31/64/384993164.db2.gz TYICJKQLUMEBAC-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN CCc1ccccc1CNCc1cc(C)ns1 ZINC000404438351 384989430 /nfs/dbraw/zinc/98/94/30/384989430.db2.gz HZMCOCYTHBWPMF-UHFFFAOYSA-N 0 1 246.379 3.304 20 0 BGADMN Cc1ccccc1[C@@H](C)NCc1ccns1 ZINC000404440155 343065861 /nfs/dbraw/zinc/06/58/61/343065861.db2.gz JJJINWGDWYAAEU-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cc(C)c(CNCc2ccns2)c(C)c1 ZINC000404441697 351458259 /nfs/dbraw/zinc/45/82/59/351458259.db2.gz VCLVRLHIHZDVDF-UHFFFAOYSA-N 0 1 246.379 3.358 20 0 BGADMN Cc1cc(CNC(C)(C)c2ccccc2)sn1 ZINC000404442753 385006858 /nfs/dbraw/zinc/00/68/58/385006858.db2.gz LNEZERFHEGTYIT-UHFFFAOYSA-N 0 1 246.379 3.476 20 0 BGADMN C[C@@H](NCc1ccns1)c1ccsc1 ZINC000404446062 351459317 /nfs/dbraw/zinc/45/93/17/351459317.db2.gz CLGBWQSQZALJHL-MRVPVSSYSA-N 0 1 224.354 3.055 20 0 BGADMN C[C@H](NCc1ccns1)c1ccsc1 ZINC000404446063 343524692 /nfs/dbraw/zinc/52/46/92/343524692.db2.gz CLGBWQSQZALJHL-QMMMGPOBSA-N 0 1 224.354 3.055 20 0 BGADMN C[C@@H](NCc1ccns1)c1cccs1 ZINC000404447784 351458939 /nfs/dbraw/zinc/45/89/39/351458939.db2.gz DLSUEDQXIKHGCS-MRVPVSSYSA-N 0 1 224.354 3.055 20 0 BGADMN Cc1cc(CNCc2ccc(C)cc2)sn1 ZINC000404458195 385001577 /nfs/dbraw/zinc/00/15/77/385001577.db2.gz LTDSHBDKYATCBR-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN Cc1cc(CN[C@@H]2CCc3ccccc32)sn1 ZINC000404458329 385001649 /nfs/dbraw/zinc/00/16/49/385001649.db2.gz XTOMRHOMMLABMV-CQSZACIVSA-N 0 1 244.363 3.229 20 0 BGADMN Cc1scc(CNCc2ccns2)c1C ZINC000404465241 388421352 /nfs/dbraw/zinc/42/13/52/388421352.db2.gz LOXDHLRCEDBGRF-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN Cc1ccc([C@@H](C)NCc2ccns2)cc1 ZINC000404465301 351466490 /nfs/dbraw/zinc/46/64/90/351466490.db2.gz LUSSCRZABMHUQQ-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1ccc([C@H](C)NCc2ccns2)cc1 ZINC000404465304 351466895 /nfs/dbraw/zinc/46/68/95/351466895.db2.gz LUSSCRZABMHUQQ-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccccc2)sn1 ZINC000404466410 385014691 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232.352 3.168 20 0 BGADMN CCc1ccc(CNCc2ccns2)s1 ZINC000404476589 351473490 /nfs/dbraw/zinc/47/34/90/351473490.db2.gz RQLQGOASTTWDQS-UHFFFAOYSA-N 0 1 238.381 3.057 20 0 BGADMN COc1cccc([C@H](C)NCc2ccns2)c1 ZINC000404479237 351473291 /nfs/dbraw/zinc/47/32/91/351473291.db2.gz DBVQOPQHOQJZEL-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1cccc([C@@H](C)NCc2ccns2)c1 ZINC000404479238 351473585 /nfs/dbraw/zinc/47/35/85/351473585.db2.gz DBVQOPQHOQJZEL-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccsc2)sn1 ZINC000404485639 385019430 /nfs/dbraw/zinc/01/94/30/385019430.db2.gz KHKVYUDBQIREQE-SECBINFHSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1cc(CN[C@@H](C)c2ccsc2)sn1 ZINC000404485640 385022060 /nfs/dbraw/zinc/02/20/60/385022060.db2.gz KHKVYUDBQIREQE-VIFPVBQESA-N 0 1 238.381 3.364 20 0 BGADMN Cc1cc(CNCc2cscc2C)sn1 ZINC000404486066 385019932 /nfs/dbraw/zinc/01/99/32/385019932.db2.gz KQEHOYNEUCIWRU-UHFFFAOYSA-N 0 1 238.381 3.111 20 0 BGADMN c1cc(CN[C@H]2CCCc3ccccc32)sn1 ZINC000404490152 351479511 /nfs/dbraw/zinc/47/95/11/351479511.db2.gz HPPTXCNLEPVKGY-AWEZNQCLSA-N 0 1 244.363 3.310 20 0 BGADMN c1cc(CN[C@@H]2CCCc3ccccc32)sn1 ZINC000404490154 351478933 /nfs/dbraw/zinc/47/89/33/351478933.db2.gz HPPTXCNLEPVKGY-CQSZACIVSA-N 0 1 244.363 3.310 20 0 BGADMN COc1ccc([C@H](C)NCc2ccns2)cc1 ZINC000404495823 351482418 /nfs/dbraw/zinc/48/24/18/351482418.db2.gz QIAVVIXFNWYEPP-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1ccc([C@@H](C)NCc2ccns2)cc1 ZINC000404495825 351482094 /nfs/dbraw/zinc/48/20/94/351482094.db2.gz QIAVVIXFNWYEPP-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN Cc1cc(CN[C@@H]2CCCc3occc32)sn1 ZINC000404500119 385024389 /nfs/dbraw/zinc/02/43/89/385024389.db2.gz WKMRYONMFVKLMZ-GFCCVEGCSA-N 0 1 248.351 3.212 20 0 BGADMN Cc1cc(CN[C@H]2CCCc3occc32)sn1 ZINC000404500121 385024880 /nfs/dbraw/zinc/02/48/80/385024880.db2.gz WKMRYONMFVKLMZ-LBPRGKRZSA-N 0 1 248.351 3.212 20 0 BGADMN Cc1cc(CNCc2ccc(C)s2)sn1 ZINC000404502437 385023482 /nfs/dbraw/zinc/02/34/82/385023482.db2.gz 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0 1 237.347 3.032 20 0 BGADMN CC(C)c1noc([C@H](C)N[C@@H]2CCC[C@H]2C)n1 ZINC000407960840 385162950 /nfs/dbraw/zinc/16/29/50/385162950.db2.gz XXDRLVDRSVXHIF-OUAUKWLOSA-N 0 1 237.347 3.032 20 0 BGADMN CC(C)c1noc([C@H](C)N[C@H]2CCC[C@H]2C)n1 ZINC000407960841 385163884 /nfs/dbraw/zinc/16/38/84/385163884.db2.gz XXDRLVDRSVXHIF-VWYCJHECSA-N 0 1 237.347 3.032 20 0 BGADMN CN(Cc1ncc(C(C)(C)C)o1)C1CCCC1 ZINC000409444807 191011800 /nfs/dbraw/zinc/01/18/00/191011800.db2.gz ADFRXHVPGGATGT-UHFFFAOYSA-N 0 1 236.359 3.347 20 0 BGADMN CCN(Cc1ncc(C(C)(C)C)o1)CC(C)C ZINC000409444861 191012306 /nfs/dbraw/zinc/01/23/06/191012306.db2.gz QBSMCSMCFURMQO-UHFFFAOYSA-N 0 1 238.375 3.450 20 0 BGADMN CC[C@H](C)CN1CCc2c(F)ccc(F)c2C1 ZINC000409444935 191014755 /nfs/dbraw/zinc/01/47/55/191014755.db2.gz JRQGELXIBJHWSG-JTQLQIEISA-N 0 1 239.309 3.369 20 0 BGADMN CC[C@@H](C)CN1CCc2c(F)ccc(F)c2C1 ZINC000409444936 191014559 /nfs/dbraw/zinc/01/45/59/191014559.db2.gz JRQGELXIBJHWSG-SNVBAGLBSA-N 0 1 239.309 3.369 20 0 BGADMN CC[C@H](C)CN1CCc2ccc(F)c(F)c2C1 ZINC000409444937 191014305 /nfs/dbraw/zinc/01/43/05/191014305.db2.gz LBYPFRPQPJHLCN-JTQLQIEISA-N 0 1 239.309 3.369 20 0 BGADMN CC[C@@H](C)CN1CCc2ccc(F)c(F)c2C1 ZINC000409444938 191015367 /nfs/dbraw/zinc/01/53/67/191015367.db2.gz LBYPFRPQPJHLCN-SNVBAGLBSA-N 0 1 239.309 3.369 20 0 BGADMN CC[C@H](C)CN1CCc2c(F)cc(F)cc2C1 ZINC000409444959 191014385 /nfs/dbraw/zinc/01/43/85/191014385.db2.gz ZSPABSJOFPFTDR-JTQLQIEISA-N 0 1 239.309 3.369 20 0 BGADMN CC[C@@H](C)CN1CCc2c(F)cc(F)cc2C1 ZINC000409444960 191015168 /nfs/dbraw/zinc/01/51/68/191015168.db2.gz ZSPABSJOFPFTDR-SNVBAGLBSA-N 0 1 239.309 3.369 20 0 BGADMN CC(C)OC(=O)[C@@H](C)N(C)CCCC(C)(C)C ZINC000410411772 191029604 /nfs/dbraw/zinc/02/96/04/191029604.db2.gz UFDVZEJKOMXQSV-GFCCVEGCSA-N 0 1 243.391 3.085 20 0 BGADMN CC(C)OC(=O)[C@H](C)N(C)CCCC(C)(C)C ZINC000410411773 191029747 /nfs/dbraw/zinc/02/97/47/191029747.db2.gz UFDVZEJKOMXQSV-LBPRGKRZSA-N 0 1 243.391 3.085 20 0 BGADMN Cc1ccccc1C[N@@H+](C)CCc1cncs1 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245.351 3.147 20 0 BGADMN C[C@H](Sc1c[nH]nn1)c1ccc2c(c1)CCC2 ZINC000413002872 191336648 /nfs/dbraw/zinc/33/66/48/191336648.db2.gz VIMUOZGRMZNXIJ-VIFPVBQESA-N 0 1 245.351 3.147 20 0 BGADMN Cc1nc([C@@H](C)SCCCC(C)C)n[nH]1 ZINC000413003059 191337100 /nfs/dbraw/zinc/33/71/00/191337100.db2.gz SUXVDINSJPREPC-SECBINFHSA-N 0 1 227.377 3.344 20 0 BGADMN Cc1nc([C@H](C)SCCCC(C)C)n[nH]1 ZINC000413003060 191336527 /nfs/dbraw/zinc/33/65/27/191336527.db2.gz SUXVDINSJPREPC-VIFPVBQESA-N 0 1 227.377 3.344 20 0 BGADMN CCC[C@@H](CC)S[C@H](C)c1n[nH]c(C)n1 ZINC000413004342 191337276 /nfs/dbraw/zinc/33/72/76/191337276.db2.gz JZZGCIJICCVYFH-PSASIEDQSA-N 0 1 227.377 3.486 20 0 BGADMN CCC[C@H](CC)S[C@H](C)c1n[nH]c(C)n1 ZINC000413004345 191337116 /nfs/dbraw/zinc/33/71/16/191337116.db2.gz JZZGCIJICCVYFH-SCZZXKLOSA-N 0 1 227.377 3.486 20 0 BGADMN CCC[C@@H](CC)S[C@@H](C)c1n[nH]c(C)n1 ZINC000413004348 191336836 /nfs/dbraw/zinc/33/68/36/191336836.db2.gz JZZGCIJICCVYFH-WCBMZHEXSA-N 0 1 227.377 3.486 20 0 BGADMN CCC[C@H](CC)S[C@@H](C)c1n[nH]c(C)n1 ZINC000413004352 191336875 /nfs/dbraw/zinc/33/68/75/191336875.db2.gz JZZGCIJICCVYFH-WPRPVWTQSA-N 0 1 227.377 3.486 20 0 BGADMN Cc1cccc(NCCC2CC(F)(F)C2)n1 ZINC000413340071 191372106 /nfs/dbraw/zinc/37/21/06/191372106.db2.gz RGIAARKIXIMJKL-UHFFFAOYSA-N 0 1 226.270 3.237 20 0 BGADMN Cc1ccnc(NCCC2CC(F)(F)C2)c1 ZINC000413341976 191372643 /nfs/dbraw/zinc/37/26/43/191372643.db2.gz USIMBQGBENMGAE-UHFFFAOYSA-N 0 1 226.270 3.237 20 0 BGADMN Cc1ccnc(NCC(C)(C)c2cccnc2)c1 ZINC000413594981 191398868 /nfs/dbraw/zinc/39/88/68/191398868.db2.gz ZBFNYKPYGVGMDO-UHFFFAOYSA-N 0 1 241.338 3.175 20 0 BGADMN Cc1cccc(NCC(C)(C)c2cccnc2)n1 ZINC000413594984 191399365 /nfs/dbraw/zinc/39/93/65/191399365.db2.gz ZCFOBJJEQAOECU-UHFFFAOYSA-N 0 1 241.338 3.175 20 0 BGADMN Cc1nccc(N[C@@H]2C[C@H]2c2ccco2)c1Cl ZINC000413609872 385846329 /nfs/dbraw/zinc/84/63/29/385846329.db2.gz VOWZMGPGDNMUBN-MWLCHTKSSA-N 0 1 248.713 3.026 20 0 BGADMN COc1ccc([C@@H](C)NCc2ccco2)c(C)c1 ZINC000414051711 385933638 /nfs/dbraw/zinc/93/36/38/385933638.db2.gz JYALDRJJSSIEAM-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@H](C)NCc2ccco2)c(C)c1 ZINC000414051713 385932626 /nfs/dbraw/zinc/93/26/26/385932626.db2.gz JYALDRJJSSIEAM-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN CC[C@@H](N[C@H](C)c1ccn(C)n1)c1cccs1 ZINC000414061617 385935756 /nfs/dbraw/zinc/93/57/56/385935756.db2.gz CBISRZCGZBEMPY-GHMZBOCLSA-N 0 1 249.383 3.284 20 0 BGADMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1cccs1 ZINC000414061621 385936837 /nfs/dbraw/zinc/93/68/37/385936837.db2.gz CBISRZCGZBEMPY-MNOVXSKESA-N 0 1 249.383 3.284 20 0 BGADMN CC[C@H](N[C@@H](C)c1ccn(C)n1)c1cccs1 ZINC000414061623 385936192 /nfs/dbraw/zinc/93/61/92/385936192.db2.gz CBISRZCGZBEMPY-QWRGUYRKSA-N 0 1 249.383 3.284 20 0 BGADMN CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1cccs1 ZINC000414061625 385936172 /nfs/dbraw/zinc/93/61/72/385936172.db2.gz CBISRZCGZBEMPY-WDEREUQCSA-N 0 1 249.383 3.284 20 0 BGADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccn(C)n2)s1 ZINC000414065146 385941633 /nfs/dbraw/zinc/94/16/33/385941633.db2.gz GPCLOOBRHGVQFW-GHMZBOCLSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccc([C@H](C)N[C@H](C)c2ccn(C)n2)s1 ZINC000414065149 385942863 /nfs/dbraw/zinc/94/28/63/385942863.db2.gz GPCLOOBRHGVQFW-MNOVXSKESA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccn(C)n2)s1 ZINC000414065151 385941253 /nfs/dbraw/zinc/94/12/53/385941253.db2.gz GPCLOOBRHGVQFW-QWRGUYRKSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccn(C)n2)s1 ZINC000414065152 385941211 /nfs/dbraw/zinc/94/12/11/385941211.db2.gz GPCLOOBRHGVQFW-WDEREUQCSA-N 0 1 249.383 3.202 20 0 BGADMN COc1ccc([C@@H](C)NCc2ccoc2)c(C)c1 ZINC000414077264 385949728 /nfs/dbraw/zinc/94/97/28/385949728.db2.gz RBRQYCGWHMSECH-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@H](C)NCc2ccoc2)c(C)c1 ZINC000414077267 385950648 /nfs/dbraw/zinc/95/06/48/385950648.db2.gz RBRQYCGWHMSECH-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccn(C)n2)cc1 ZINC000414079959 385950226 /nfs/dbraw/zinc/95/02/26/385950226.db2.gz UCKQGXWRWRAKMP-CHWSQXEVSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414079961 385950712 /nfs/dbraw/zinc/95/07/12/385950712.db2.gz UCKQGXWRWRAKMP-OLZOCXBDSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@H](C)N[C@H](C)c2ccn(C)n2)cc1 ZINC000414079962 385949515 /nfs/dbraw/zinc/94/95/15/385949515.db2.gz UCKQGXWRWRAKMP-QWHCGFSZSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414079963 385950583 /nfs/dbraw/zinc/95/05/83/385950583.db2.gz UCKQGXWRWRAKMP-STQMWFEESA-N 0 1 243.354 3.140 20 0 BGADMN CCc1nocc1-c1nc2ccc(CC)cc2[nH]1 ZINC000414122301 385972288 /nfs/dbraw/zinc/97/22/88/385972288.db2.gz IKZRLXGULCGUKV-UHFFFAOYSA-N 0 1 241.294 3.343 20 0 BGADMN CC[C@@H](N[C@@H](CC)C(F)F)[C@@H]1C[C@@H]1C ZINC000414154494 386004228 /nfs/dbraw/zinc/00/42/28/386004228.db2.gz ZHUHNGIETAEERK-JLIMGVALSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@@H](N[C@@H](CC)C(F)F)[C@@H]1C[C@H]1C ZINC000414154496 386004629 /nfs/dbraw/zinc/00/46/29/386004629.db2.gz ZHUHNGIETAEERK-KYXWUPHJSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@@H](N[C@@H](CC)C(F)F)[C@H]1C[C@@H]1C ZINC000414154497 386004168 /nfs/dbraw/zinc/00/41/68/386004168.db2.gz ZHUHNGIETAEERK-QEYWKRMJSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@@H](N[C@@H](CC)C(F)F)[C@H]1C[C@H]1C ZINC000414154498 386004539 /nfs/dbraw/zinc/00/45/39/386004539.db2.gz ZHUHNGIETAEERK-RGOKHQFPSA-N 0 1 205.292 3.054 20 0 BGADMN Cc1ncc(CN[C@H](C)c2cccc(C)c2C)o1 ZINC000414186354 386027941 /nfs/dbraw/zinc/02/79/41/386027941.db2.gz PAJMHBLMALPEOH-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ncc(CN[C@@H](C)c2cccc(C)c2C)o1 ZINC000414186357 386028633 /nfs/dbraw/zinc/02/86/33/386028633.db2.gz PAJMHBLMALPEOH-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ccsc1[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000414186958 386028186 /nfs/dbraw/zinc/02/81/86/386028186.db2.gz PYJGPTPHVPSJKR-GHMZBOCLSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccsc1[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000414186959 386027894 /nfs/dbraw/zinc/02/78/94/386027894.db2.gz PYJGPTPHVPSJKR-MNOVXSKESA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccsc1[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000414186960 386027550 /nfs/dbraw/zinc/02/75/50/386027550.db2.gz PYJGPTPHVPSJKR-QWRGUYRKSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccsc1[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000414186961 386027640 /nfs/dbraw/zinc/02/76/40/386027640.db2.gz PYJGPTPHVPSJKR-WDEREUQCSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)no1 ZINC000414196315 386034583 /nfs/dbraw/zinc/03/45/83/386034583.db2.gz YBZKRPPDZRUHQZ-DMDPSCGWSA-N 0 1 222.332 3.068 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)no1 ZINC000414196317 386035737 /nfs/dbraw/zinc/03/57/37/386035737.db2.gz YBZKRPPDZRUHQZ-NQBHXWOUSA-N 0 1 222.332 3.068 20 0 BGADMN CC[C@H](NCc1ccn(CC)n1)c1ccccc1 ZINC000414205719 386058750 /nfs/dbraw/zinc/05/87/50/386058750.db2.gz HXHPSUUTSIBHSN-HNNXBMFYSA-N 0 1 243.354 3.144 20 0 BGADMN CC[C@@H](NCc1ccn(CC)n1)c1ccccc1 ZINC000414205720 386060016 /nfs/dbraw/zinc/06/00/16/386060016.db2.gz HXHPSUUTSIBHSN-OAHLLOKOSA-N 0 1 243.354 3.144 20 0 BGADMN CCn1ccc(CN[C@H](C)c2sccc2C)n1 ZINC000414209644 386064625 /nfs/dbraw/zinc/06/46/25/386064625.db2.gz NLDWNHUZQXKREH-LLVKDONJSA-N 0 1 249.383 3.124 20 0 BGADMN CCn1ccc(CN[C@@H](C)c2sccc2C)n1 ZINC000414209645 191468828 /nfs/dbraw/zinc/46/88/28/191468828.db2.gz NLDWNHUZQXKREH-NSHDSACASA-N 0 1 249.383 3.124 20 0 BGADMN CC[C@@H](NCc1ccn(CC)n1)c1cccs1 ZINC000414210618 386065680 /nfs/dbraw/zinc/06/56/80/386065680.db2.gz OXRYKFPOWBLQQB-GFCCVEGCSA-N 0 1 249.383 3.205 20 0 BGADMN CC[C@H](NCc1ccn(CC)n1)c1cccs1 ZINC000414210621 386065745 /nfs/dbraw/zinc/06/57/45/386065745.db2.gz OXRYKFPOWBLQQB-LBPRGKRZSA-N 0 1 249.383 3.205 20 0 BGADMN CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414222241 386074557 /nfs/dbraw/zinc/07/45/57/386074557.db2.gz MTDFCHZWMLRLQO-GXTWGEPZSA-N 0 1 243.354 3.222 20 0 BGADMN CC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414222242 386075410 /nfs/dbraw/zinc/07/54/10/386075410.db2.gz MTDFCHZWMLRLQO-JSGCOSHPSA-N 0 1 243.354 3.222 20 0 BGADMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414222243 386074890 /nfs/dbraw/zinc/07/48/90/386074890.db2.gz MTDFCHZWMLRLQO-OCCSQVGLSA-N 0 1 243.354 3.222 20 0 BGADMN CC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 ZINC000414222244 386075793 /nfs/dbraw/zinc/07/57/93/386075793.db2.gz MTDFCHZWMLRLQO-TZMCWYRMSA-N 0 1 243.354 3.222 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccc(O)c1 ZINC000414282539 386093222 /nfs/dbraw/zinc/09/32/22/386093222.db2.gz HNOKMGYHJJVGLY-LERXQTSPSA-N 0 1 237.318 3.324 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccc(O)c1 ZINC000414282540 386093560 /nfs/dbraw/zinc/09/35/60/386093560.db2.gz HNOKMGYHJJVGLY-ZLKJLUDKSA-N 0 1 237.318 3.324 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cncc(F)c1 ZINC000414284424 386094094 /nfs/dbraw/zinc/09/40/94/386094094.db2.gz KNSFJALWWYRPGV-OASPWFOLSA-N 0 1 240.297 3.152 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cncc(F)c1 ZINC000414284425 386094709 /nfs/dbraw/zinc/09/47/09/386094709.db2.gz KNSFJALWWYRPGV-ZWKOPEQDSA-N 0 1 240.297 3.152 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cn1 ZINC000414285942 386096920 /nfs/dbraw/zinc/09/69/20/386096920.db2.gz MHVZGFDRLONRDP-IRUJWGPZSA-N 0 1 240.297 3.152 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cn1 ZINC000414285944 386097025 /nfs/dbraw/zinc/09/70/25/386097025.db2.gz MHVZGFDRLONRDP-UFGOTCBOSA-N 0 1 240.297 3.152 20 0 BGADMN CCc1cccc(F)c1CNc1nccn1CC ZINC000414291736 386100271 /nfs/dbraw/zinc/10/02/71/386100271.db2.gz AOFSPABGIJLSRN-UHFFFAOYSA-N 0 1 247.317 3.217 20 0 BGADMN CCn1ccnc1NCc1ccc(SC)cc1 ZINC000414293055 386100524 /nfs/dbraw/zinc/10/05/24/386100524.db2.gz BTFSUMQOLXRRLG-UHFFFAOYSA-N 0 1 247.367 3.237 20 0 BGADMN CCn1ccnc1NCc1c(C)cc(C)cc1C ZINC000414294094 386102878 /nfs/dbraw/zinc/10/28/78/386102878.db2.gz DHGXYYCLUBAZSR-UHFFFAOYSA-N 0 1 243.354 3.440 20 0 BGADMN CCC[C@H](C)[C@H](CC)N[C@H](C)c1csnn1 ZINC000414295468 386104071 /nfs/dbraw/zinc/10/40/71/386104071.db2.gz FIDUKFBRISAXMD-AXFHLTTASA-N 0 1 241.404 3.404 20 0 BGADMN CCC[C@H](C)[C@H](CC)N[C@@H](C)c1csnn1 ZINC000414295470 386103842 /nfs/dbraw/zinc/10/38/42/386103842.db2.gz FIDUKFBRISAXMD-DCAQKATOSA-N 0 1 241.404 3.404 20 0 BGADMN CCC[C@H](C)[C@@H](CC)N[C@@H](C)c1csnn1 ZINC000414295472 386103397 /nfs/dbraw/zinc/10/33/97/386103397.db2.gz FIDUKFBRISAXMD-GARJFASQSA-N 0 1 241.404 3.404 20 0 BGADMN CCC[C@H](C)[C@@H](CC)N[C@H](C)c1csnn1 ZINC000414295473 386102964 /nfs/dbraw/zinc/10/29/64/386102964.db2.gz FIDUKFBRISAXMD-HBNTYKKESA-N 0 1 241.404 3.404 20 0 BGADMN CCCC[C@H](C)[C@@H](C)N[C@@H](C)c1csnn1 ZINC000414296083 191484079 /nfs/dbraw/zinc/48/40/79/191484079.db2.gz FVNDCJFXADFPKJ-AXFHLTTASA-N 0 1 241.404 3.404 20 0 BGADMN CCCC[C@H](C)[C@H](C)N[C@@H](C)c1csnn1 ZINC000414296085 386103720 /nfs/dbraw/zinc/10/37/20/386103720.db2.gz FVNDCJFXADFPKJ-DCAQKATOSA-N 0 1 241.404 3.404 20 0 BGADMN CCCC[C@H](C)[C@H](C)N[C@H](C)c1csnn1 ZINC000414296087 191484165 /nfs/dbraw/zinc/48/41/65/191484165.db2.gz FVNDCJFXADFPKJ-GARJFASQSA-N 0 1 241.404 3.404 20 0 BGADMN CCCC[C@H](C)[C@@H](C)N[C@H](C)c1csnn1 ZINC000414296089 386103062 /nfs/dbraw/zinc/10/30/62/386103062.db2.gz FVNDCJFXADFPKJ-HBNTYKKESA-N 0 1 241.404 3.404 20 0 BGADMN CCn1ccnc1NCc1cc(Cl)cs1 ZINC000414296108 386103076 /nfs/dbraw/zinc/10/30/76/386103076.db2.gz GFGUSTMWHOBAJV-UHFFFAOYSA-N 0 1 241.747 3.230 20 0 BGADMN CCn1ccnc1NCc1cc(C)cc(C)c1 ZINC000414296292 386103798 /nfs/dbraw/zinc/10/37/98/386103798.db2.gz GWDZYIIWXXSBQC-UHFFFAOYSA-N 0 1 229.327 3.132 20 0 BGADMN CCn1ccnc1NCc1cc(C)cc(Cl)c1 ZINC000414297410 386106760 /nfs/dbraw/zinc/10/67/60/386106760.db2.gz HUKCVOHOFDFWAP-UHFFFAOYSA-N 0 1 249.745 3.477 20 0 BGADMN CC(C)CCC[C@@H](C)N[C@H](C)c1csnn1 ZINC000414298565 386106028 /nfs/dbraw/zinc/10/60/28/386106028.db2.gz JCFNKJHBOBJJSB-GHMZBOCLSA-N 0 1 241.404 3.404 20 0 BGADMN CC(C)CCC[C@@H](C)N[C@@H](C)c1csnn1 ZINC000414298567 386105342 /nfs/dbraw/zinc/10/53/42/386105342.db2.gz JCFNKJHBOBJJSB-MNOVXSKESA-N 0 1 241.404 3.404 20 0 BGADMN CC(C)CCC[C@H](C)N[C@@H](C)c1csnn1 ZINC000414298568 386105193 /nfs/dbraw/zinc/10/51/93/386105193.db2.gz JCFNKJHBOBJJSB-QWRGUYRKSA-N 0 1 241.404 3.404 20 0 BGADMN CC(C)CCC[C@H](C)N[C@H](C)c1csnn1 ZINC000414298570 386106151 /nfs/dbraw/zinc/10/61/51/386106151.db2.gz JCFNKJHBOBJJSB-WDEREUQCSA-N 0 1 241.404 3.404 20 0 BGADMN CCn1ccnc1NCc1cccc(C)c1C ZINC000414298612 386106720 /nfs/dbraw/zinc/10/67/20/386106720.db2.gz JMNGTOAROKZZPI-UHFFFAOYSA-N 0 1 229.327 3.132 20 0 BGADMN CCn1ccnc1NCc1cc(C)ccc1C ZINC000414298664 191484557 /nfs/dbraw/zinc/48/45/57/191484557.db2.gz JRRNCQHTUZJVQU-UHFFFAOYSA-N 0 1 229.327 3.132 20 0 BGADMN CCn1ccnc1NCc1ccc(Cl)c(C)c1 ZINC000414300264 386108669 /nfs/dbraw/zinc/10/86/69/386108669.db2.gz LWMRAVPMEMWCOS-UHFFFAOYSA-N 0 1 249.745 3.477 20 0 BGADMN CCn1ccnc1NCc1ccc(Cl)cc1C ZINC000414300703 386108750 /nfs/dbraw/zinc/10/87/50/386108750.db2.gz LXNCITADLAAUDU-UHFFFAOYSA-N 0 1 249.745 3.477 20 0 BGADMN CCn1ccnc1NCc1ccc(C2CC2)cc1 ZINC000414301337 386108000 /nfs/dbraw/zinc/10/80/00/386108000.db2.gz MOXUHFCMCGJZAQ-UHFFFAOYSA-N 0 1 241.338 3.393 20 0 BGADMN CCn1ccnc1NCc1ccc(C)c(C)c1 ZINC000414302216 386079312 /nfs/dbraw/zinc/07/93/12/386079312.db2.gz ODQRZLAWROQFTM-UHFFFAOYSA-N 0 1 229.327 3.132 20 0 BGADMN CCn1ccnc1NCc1ccc(C)cc1C ZINC000414303390 386138040 /nfs/dbraw/zinc/13/80/40/386138040.db2.gz PALVBJGIAPPAQE-UHFFFAOYSA-N 0 1 229.327 3.132 20 0 BGADMN CCn1ccnc1NCc1cc(C)c(C)cc1C ZINC000414303399 386138155 /nfs/dbraw/zinc/13/81/55/386138155.db2.gz PBTXZCGMCRKKKU-UHFFFAOYSA-N 0 1 243.354 3.440 20 0 BGADMN CCn1ccnc1NCc1sccc1Cl ZINC000414304892 386138898 /nfs/dbraw/zinc/13/88/98/386138898.db2.gz RLZGDPZIVUJTTQ-UHFFFAOYSA-N 0 1 241.747 3.230 20 0 BGADMN Cc1ccnc([C@@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414306046 386108685 /nfs/dbraw/zinc/10/86/85/386108685.db2.gz GFNOTDZIWROIAV-JHJVBQTASA-N 0 1 236.334 3.321 20 0 BGADMN Cc1ccnc([C@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414306048 386107888 /nfs/dbraw/zinc/10/78/88/386107888.db2.gz GFNOTDZIWROIAV-YNEHKIRRSA-N 0 1 236.334 3.321 20 0 BGADMN CCn1ccnc1NCc1ccc(C)c(Cl)c1 ZINC000414306273 386110102 /nfs/dbraw/zinc/11/01/02/386110102.db2.gz SQYGJNBPHICYEV-UHFFFAOYSA-N 0 1 249.745 3.477 20 0 BGADMN C[C@H](CC1CCCC1)N[C@H](C)c1csnn1 ZINC000414306878 191485706 /nfs/dbraw/zinc/48/57/06/191485706.db2.gz RPJSLZJDUZBFQJ-NXEZZACHSA-N 0 1 239.388 3.158 20 0 BGADMN C[C@@H](CC1CCCC1)N[C@@H](C)c1csnn1 ZINC000414306880 386110018 /nfs/dbraw/zinc/11/00/18/386110018.db2.gz RPJSLZJDUZBFQJ-UWVGGRQHSA-N 0 1 239.388 3.158 20 0 BGADMN C[C@@H](N[C@@H](C)CC1CCCC1)c1csnn1 ZINC000414306881 386111574 /nfs/dbraw/zinc/11/15/74/386111574.db2.gz RPJSLZJDUZBFQJ-VHSXEESVSA-N 0 1 239.388 3.158 20 0 BGADMN C[C@H](CC1CCCC1)N[C@@H](C)c1csnn1 ZINC000414306883 386111012 /nfs/dbraw/zinc/11/10/12/386111012.db2.gz RPJSLZJDUZBFQJ-ZJUUUORDSA-N 0 1 239.388 3.158 20 0 BGADMN CCn1ccnc1NCc1c(C)cccc1C ZINC000414308633 191487422 /nfs/dbraw/zinc/48/74/22/191487422.db2.gz WKPKUTXAECXEJH-UHFFFAOYSA-N 0 1 229.327 3.132 20 0 BGADMN Cc1occc1CNc1nccn1CC(C)C ZINC000414310346 386113168 /nfs/dbraw/zinc/11/31/68/386113168.db2.gz SVSVSEOKHQIISY-UHFFFAOYSA-N 0 1 233.315 3.053 20 0 BGADMN CC(C)=CCC[C@@H](C)N[C@H](C)c1csnn1 ZINC000414310561 386112981 /nfs/dbraw/zinc/11/29/81/386112981.db2.gz WHUTUVHUBVTXIN-GHMZBOCLSA-N 0 1 239.388 3.324 20 0 BGADMN CC(C)=CCC[C@@H](C)N[C@@H](C)c1csnn1 ZINC000414310562 386113050 /nfs/dbraw/zinc/11/30/50/386113050.db2.gz WHUTUVHUBVTXIN-MNOVXSKESA-N 0 1 239.388 3.324 20 0 BGADMN CC(C)=CCC[C@H](C)N[C@@H](C)c1csnn1 ZINC000414310563 386113570 /nfs/dbraw/zinc/11/35/70/386113570.db2.gz WHUTUVHUBVTXIN-QWRGUYRKSA-N 0 1 239.388 3.324 20 0 BGADMN CC(C)=CCC[C@H](C)N[C@H](C)c1csnn1 ZINC000414310565 386113036 /nfs/dbraw/zinc/11/30/36/386113036.db2.gz WHUTUVHUBVTXIN-WDEREUQCSA-N 0 1 239.388 3.324 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccncc1F ZINC000414319186 386117682 /nfs/dbraw/zinc/11/76/82/386117682.db2.gz YUCPAKAPONXDHD-IRUJWGPZSA-N 0 1 240.297 3.152 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccncc1F ZINC000414319187 386118898 /nfs/dbraw/zinc/11/88/98/386118898.db2.gz YUCPAKAPONXDHD-UFGOTCBOSA-N 0 1 240.297 3.152 20 0 BGADMN CCCC[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414320385 386118947 /nfs/dbraw/zinc/11/89/47/386118947.db2.gz BUDZIOKFUDHLIW-SECBINFHSA-N 0 1 239.388 3.084 20 0 BGADMN CCCC[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414320386 386118137 /nfs/dbraw/zinc/11/81/37/386118137.db2.gz BUDZIOKFUDHLIW-VIFPVBQESA-N 0 1 239.388 3.084 20 0 BGADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncc1F ZINC000414340409 386132161 /nfs/dbraw/zinc/13/21/61/386132161.db2.gz HCYPPBYHWCOGHM-IRUJWGPZSA-N 0 1 246.285 3.020 20 0 BGADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncc1F ZINC000414340410 386133614 /nfs/dbraw/zinc/13/36/14/386133614.db2.gz HCYPPBYHWCOGHM-UFGOTCBOSA-N 0 1 246.285 3.020 20 0 BGADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(F)cn1 ZINC000414350597 386150540 /nfs/dbraw/zinc/15/05/40/386150540.db2.gz QJAGRTUBRAWBHB-IRUJWGPZSA-N 0 1 246.285 3.020 20 0 BGADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(F)cn1 ZINC000414350598 386152405 /nfs/dbraw/zinc/15/24/05/386152405.db2.gz QJAGRTUBRAWBHB-UFGOTCBOSA-N 0 1 246.285 3.020 20 0 BGADMN Cc1occc1CNC1(c2ccccc2)CC1 ZINC000414350620 386151502 /nfs/dbraw/zinc/15/15/02/386151502.db2.gz QOKDKRPLORMVAL-UHFFFAOYSA-N 0 1 227.307 3.367 20 0 BGADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414353536 191496521 /nfs/dbraw/zinc/49/65/21/191496521.db2.gz VWLRLYXYJDNLBM-FBIMIBRVSA-N 0 1 248.351 3.251 20 0 BGADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414353537 191496667 /nfs/dbraw/zinc/49/66/67/191496667.db2.gz VWLRLYXYJDNLBM-JMJZKYOTSA-N 0 1 248.351 3.251 20 0 BGADMN COc1cc(C)cc(CNCc2ccoc2C)c1 ZINC000414359326 386145214 /nfs/dbraw/zinc/14/52/14/386145214.db2.gz KBQTTWJPAIBISF-UHFFFAOYSA-N 0 1 245.322 3.195 20 0 BGADMN Cc1occc1CN[C@H](c1cccnc1)C1CC1 ZINC000414368416 386155317 /nfs/dbraw/zinc/15/53/17/386155317.db2.gz SISVFKGWGAKZKE-HNNXBMFYSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1occc1CN[C@@H](c1cccnc1)C1CC1 ZINC000414368417 386154578 /nfs/dbraw/zinc/15/45/78/386154578.db2.gz SISVFKGWGAKZKE-OAHLLOKOSA-N 0 1 242.322 3.224 20 0 BGADMN CCCCC[N@@H+](Cc1cnc(CC)nc1)C(C)C ZINC000414369010 386156089 /nfs/dbraw/zinc/15/60/89/386156089.db2.gz IJHVFUKGKZDPOT-UHFFFAOYSA-N 0 1 249.402 3.440 20 0 BGADMN CCC(CC)C[N@@H+](CC)Cc1ccc(C)nn1 ZINC000414369453 386155483 /nfs/dbraw/zinc/15/54/83/386155483.db2.gz JHMOCCJRMSYXHN-UHFFFAOYSA-N 0 1 235.375 3.043 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000414369881 386153775 /nfs/dbraw/zinc/15/37/75/386153775.db2.gz KEBCUHUHMCKKEL-GXTWGEPZSA-N 0 1 247.386 3.050 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000414369882 386154474 /nfs/dbraw/zinc/15/44/74/386154474.db2.gz KEBCUHUHMCKKEL-JSGCOSHPSA-N 0 1 247.386 3.050 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000414369883 386154808 /nfs/dbraw/zinc/15/48/08/386154808.db2.gz KEBCUHUHMCKKEL-OCCSQVGLSA-N 0 1 247.386 3.050 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000414369884 386155338 /nfs/dbraw/zinc/15/53/38/386155338.db2.gz KEBCUHUHMCKKEL-TZMCWYRMSA-N 0 1 247.386 3.050 20 0 BGADMN CCC1CCC([N@@H+](C)Cc2ccc(C)nn2)CC1 ZINC000414369898 386154106 /nfs/dbraw/zinc/15/41/06/386154106.db2.gz KHLIEIVGIDBTDV-UHFFFAOYSA-N 0 1 247.386 3.186 20 0 BGADMN Cc1occc1CN1CCc2ccccc2C1 ZINC000414370097 386155893 /nfs/dbraw/zinc/15/58/93/386155893.db2.gz WAWXRTZGXXTRHC-UHFFFAOYSA-N 0 1 227.307 3.146 20 0 BGADMN CCc1cnccc1[C@@H](C)NCc1ccoc1C ZINC000414371894 386170360 /nfs/dbraw/zinc/17/03/60/386170360.db2.gz YXMFWSOXBFWGIR-LLVKDONJSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1cnccc1[C@H](C)NCc1ccoc1C ZINC000414371895 386169845 /nfs/dbraw/zinc/16/98/45/386169845.db2.gz YXMFWSOXBFWGIR-NSHDSACASA-N 0 1 244.338 3.396 20 0 BGADMN CCC(CC)[N@@H+](CCOC)Cc1ccoc1C ZINC000414374612 386184905 /nfs/dbraw/zinc/18/49/05/386184905.db2.gz VEPIEUYTNNFMLJ-UHFFFAOYSA-N 0 1 239.359 3.225 20 0 BGADMN Cc1occc1C[N@H+](CC(C)C)C1CC1 ZINC000414374618 386185669 /nfs/dbraw/zinc/18/56/69/386185669.db2.gz VHPAUNOMFIXJEC-UHFFFAOYSA-N 0 1 207.317 3.208 20 0 BGADMN CCCCC[N@@H+](Cc1ccc(C)nn1)C(C)C ZINC000414374740 386186587 /nfs/dbraw/zinc/18/65/87/386186587.db2.gz WCUAJJBODOMCEB-UHFFFAOYSA-N 0 1 235.375 3.186 20 0 BGADMN Cc1occc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000414389722 386246149 /nfs/dbraw/zinc/24/61/49/386246149.db2.gz SKBDKNSJZCQVNU-LLVKDONJSA-N 0 1 245.322 3.487 20 0 BGADMN Cc1occc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000414389724 386245660 /nfs/dbraw/zinc/24/56/60/386245660.db2.gz SKBDKNSJZCQVNU-NSHDSACASA-N 0 1 245.322 3.487 20 0 BGADMN CCc1ncc(C[N@H+]2CCC[C@](C)(CC)C2)cn1 ZINC000414394075 386274327 /nfs/dbraw/zinc/27/43/27/386274327.db2.gz JWZVZAGFLURYPN-HNNXBMFYSA-N 0 1 247.386 3.051 20 0 BGADMN CCc1ncc(C[N@H+]2CCC[C@@](C)(CC)C2)cn1 ZINC000414394076 386276095 /nfs/dbraw/zinc/27/60/95/386276095.db2.gz JWZVZAGFLURYPN-OAHLLOKOSA-N 0 1 247.386 3.051 20 0 BGADMN Cc1ccc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)nn1 ZINC000414394186 386275821 /nfs/dbraw/zinc/27/58/21/386275821.db2.gz FFQIARAVEVPCBA-AWEZNQCLSA-N 0 1 247.386 3.043 20 0 BGADMN Cc1ccc(C[N@@H+]2CCC[C@H](CC(C)C)C2)nn1 ZINC000414394187 386276003 /nfs/dbraw/zinc/27/60/03/386276003.db2.gz FFQIARAVEVPCBA-CQSZACIVSA-N 0 1 247.386 3.043 20 0 BGADMN Cc1occc1CN1CCc2ccsc2C1 ZINC000414394715 386281460 /nfs/dbraw/zinc/28/14/60/386281460.db2.gz LFKTXBIAVXYMQT-UHFFFAOYSA-N 0 1 233.336 3.208 20 0 BGADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C)nn1 ZINC000414407866 386321619 /nfs/dbraw/zinc/32/16/19/386321619.db2.gz KVCDCUIZTCZGOV-DOMZBBRYSA-N 0 1 247.386 3.186 20 0 BGADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C)nn1 ZINC000414407867 386320421 /nfs/dbraw/zinc/32/04/21/386320421.db2.gz KVCDCUIZTCZGOV-IUODEOHRSA-N 0 1 247.386 3.186 20 0 BGADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C)nn1 ZINC000414407869 386322801 /nfs/dbraw/zinc/32/28/01/386322801.db2.gz KVCDCUIZTCZGOV-SWLSCSKDSA-N 0 1 247.386 3.186 20 0 BGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C)nn1 ZINC000414407871 386321549 /nfs/dbraw/zinc/32/15/49/386321549.db2.gz KVCDCUIZTCZGOV-WFASDCNBSA-N 0 1 247.386 3.186 20 0 BGADMN Cc1occc1CNC(C)(C)c1ccc(C)nc1 ZINC000414427084 386400105 /nfs/dbraw/zinc/40/01/05/386400105.db2.gz DUKNCGKSUQCOMI-UHFFFAOYSA-N 0 1 244.338 3.316 20 0 BGADMN Cc1occc1CN(Cc1cccnc1)C(C)C ZINC000414437461 386459195 /nfs/dbraw/zinc/45/91/95/386459195.db2.gz BTPJQOTYORFTCN-UHFFFAOYSA-N 0 1 244.338 3.394 20 0 BGADMN CCN(Cc1ccoc1C)Cc1ccncc1 ZINC000414441158 386477537 /nfs/dbraw/zinc/47/75/37/386477537.db2.gz NUBZYCZXQGTKTP-UHFFFAOYSA-N 0 1 230.311 3.005 20 0 BGADMN Cc1cc(CN[C@H](C)CF)ccc1C(F)(F)F ZINC000414441715 386479664 /nfs/dbraw/zinc/47/96/64/386479664.db2.gz KAIHEVNJDYWSHL-SECBINFHSA-N 0 1 249.251 3.461 20 0 BGADMN Cc1cc(CN[C@@H](C)CF)ccc1C(F)(F)F ZINC000414441718 386479356 /nfs/dbraw/zinc/47/93/56/386479356.db2.gz KAIHEVNJDYWSHL-VIFPVBQESA-N 0 1 249.251 3.461 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cn1 ZINC000414446883 386500976 /nfs/dbraw/zinc/50/09/76/386500976.db2.gz KAYYQXVETMHYHM-GXTWGEPZSA-N 0 1 247.386 3.050 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cn1 ZINC000414446884 386501582 /nfs/dbraw/zinc/50/15/82/386501582.db2.gz KAYYQXVETMHYHM-JSGCOSHPSA-N 0 1 247.386 3.050 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cn1 ZINC000414446885 386501065 /nfs/dbraw/zinc/50/10/65/386501065.db2.gz KAYYQXVETMHYHM-OCCSQVGLSA-N 0 1 247.386 3.050 20 0 BGADMN CCc1ncc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cn1 ZINC000414446886 386499396 /nfs/dbraw/zinc/49/93/96/386499396.db2.gz KAYYQXVETMHYHM-TZMCWYRMSA-N 0 1 247.386 3.050 20 0 BGADMN Cc1occc1CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000414448359 386512476 /nfs/dbraw/zinc/51/24/76/386512476.db2.gz MZYSIWCYRAIZDC-ZIAGYGMSSA-N 0 1 249.354 3.120 20 0 BGADMN Cc1occc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000414448566 386523344 /nfs/dbraw/zinc/52/33/44/386523344.db2.gz SAGHINSTSCRNOY-GZMMTYOYSA-N 0 1 247.260 3.361 20 0 BGADMN Cc1occc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000414448567 386521362 /nfs/dbraw/zinc/52/13/62/386521362.db2.gz 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/nfs/dbraw/zinc/01/04/96/386010496.db2.gz XGUMANOFKAVQFO-AXFHLTTASA-N 0 1 239.363 3.265 20 0 BGADMN CC[C@H](C)[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000414631951 386008441 /nfs/dbraw/zinc/00/84/41/386008441.db2.gz XGUMANOFKAVQFO-DCAQKATOSA-N 0 1 239.363 3.265 20 0 BGADMN CC[C@H](C)[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000414631952 386009313 /nfs/dbraw/zinc/00/93/13/386009313.db2.gz XGUMANOFKAVQFO-GARJFASQSA-N 0 1 239.363 3.265 20 0 BGADMN CC[C@H](C)[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000414631954 386009679 /nfs/dbraw/zinc/00/96/79/386009679.db2.gz XGUMANOFKAVQFO-HBNTYKKESA-N 0 1 239.363 3.265 20 0 BGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1(C)CCCC1 ZINC000414633963 386013759 /nfs/dbraw/zinc/01/37/59/386013759.db2.gz AIWRDNYHTKQYJI-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1(C)CCCC1 ZINC000414634593 397998641 /nfs/dbraw/zinc/99/86/41/397998641.db2.gz CMGJKSGIVNJSIR-UHFFFAOYSA-N 0 1 247.338 3.149 20 0 BGADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)[O-])c2)C1 ZINC000414642372 386034440 /nfs/dbraw/zinc/03/44/40/386034440.db2.gz VSXWZCLGXJECAG-BXUZGUMPSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)[O-])c2)C1 ZINC000414642373 386035875 /nfs/dbraw/zinc/03/58/75/386035875.db2.gz VSXWZCLGXJECAG-FZMZJTMJSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)[O-])c2)C1 ZINC000414642374 386034737 /nfs/dbraw/zinc/03/47/37/386034737.db2.gz VSXWZCLGXJECAG-RISCZKNCSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)[O-])c2)C1 ZINC000414642375 386035921 /nfs/dbraw/zinc/03/59/21/386035921.db2.gz VSXWZCLGXJECAG-SMDDNHRTSA-N 0 1 247.338 3.005 20 0 BGADMN CCCC[C@@H](CC)CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000414659564 487816842 /nfs/dbraw/zinc/81/68/42/487816842.db2.gz TVCJTANDUUJFMH-CHWSQXEVSA-N 0 1 243.391 3.245 20 0 BGADMN CCCC[C@H](CC)CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000414659565 487816830 /nfs/dbraw/zinc/81/68/30/487816830.db2.gz TVCJTANDUUJFMH-OLZOCXBDSA-N 0 1 243.391 3.245 20 0 BGADMN CCCC[C@@H](CC)CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000414659566 487816760 /nfs/dbraw/zinc/81/67/60/487816760.db2.gz TVCJTANDUUJFMH-QWHCGFSZSA-N 0 1 243.391 3.245 20 0 BGADMN CCCC[C@H](CC)CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000414659567 487816722 /nfs/dbraw/zinc/81/67/22/487816722.db2.gz TVCJTANDUUJFMH-STQMWFEESA-N 0 1 243.391 3.245 20 0 BGADMN CCCC[C@@H](CC)CC[N@@H+](CC(=O)[O-])C(C)C ZINC000414660034 487816891 /nfs/dbraw/zinc/81/68/91/487816891.db2.gz OOGPYBDEINKHTH-CYBMUJFWSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@H](CC)CC[N@@H+](CC(=O)[O-])C(C)C ZINC000414660037 487816738 /nfs/dbraw/zinc/81/67/38/487816738.db2.gz OOGPYBDEINKHTH-ZDUSSCGKSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@@H](CC)CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000414673844 487817937 /nfs/dbraw/zinc/81/79/37/487817937.db2.gz DLYRVLWYZSNTMN-CHWSQXEVSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@H](CC)CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000414673854 487818015 /nfs/dbraw/zinc/81/80/15/487818015.db2.gz DLYRVLWYZSNTMN-QWHCGFSZSA-N 0 1 241.375 3.142 20 0 BGADMN C[C@@H](N)c1nc(CC(C)(C)C2CC2)cs1 ZINC000416399183 386294203 /nfs/dbraw/zinc/29/42/03/386294203.db2.gz GRVJLASNGGWZEH-MRVPVSSYSA-N 0 1 224.373 3.142 20 0 BGADMN C[C@H](N)c1nc(CC(C)(C)C2CC2)cs1 ZINC000416399189 386294220 /nfs/dbraw/zinc/29/42/20/386294220.db2.gz GRVJLASNGGWZEH-QMMMGPOBSA-N 0 1 224.373 3.142 20 0 BGADMN CNCc1nc(C(C)(C)c2ccccc2)cs1 ZINC000416401379 386294212 /nfs/dbraw/zinc/29/42/12/386294212.db2.gz MKLXSRXCIZRMHN-UHFFFAOYSA-N 0 1 246.379 3.188 20 0 BGADMN CCn1cncc1CN(C)[C@H](C)c1ccccc1 ZINC000417680110 386539132 /nfs/dbraw/zinc/53/91/32/386539132.db2.gz GQZWBIQNIOLLOE-CYBMUJFWSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1cncc1CN(C)[C@@H](C)c1ccccc1 ZINC000417680141 386538675 /nfs/dbraw/zinc/53/86/75/386538675.db2.gz GQZWBIQNIOLLOE-ZDUSSCGKSA-N 0 1 243.354 3.096 20 0 BGADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C)nn1C ZINC000417808218 386788160 /nfs/dbraw/zinc/78/81/60/386788160.db2.gz JHPNMUKKIFPLBH-DOMZBBRYSA-N 0 1 249.402 3.129 20 0 BGADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C)nn1C ZINC000417808220 386788650 /nfs/dbraw/zinc/78/86/50/386788650.db2.gz JHPNMUKKIFPLBH-IUODEOHRSA-N 0 1 249.402 3.129 20 0 BGADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C)nn1C ZINC000417808222 386786901 /nfs/dbraw/zinc/78/69/01/386786901.db2.gz JHPNMUKKIFPLBH-SWLSCSKDSA-N 0 1 249.402 3.129 20 0 BGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C)nn1C ZINC000417808224 386787443 /nfs/dbraw/zinc/78/74/43/386787443.db2.gz JHPNMUKKIFPLBH-WFASDCNBSA-N 0 1 249.402 3.129 20 0 BGADMN CCn1cncc1CN1CC=C(C(C)(C)C)CC1 ZINC000417823694 398294558 /nfs/dbraw/zinc/29/45/58/398294558.db2.gz ZCOYMVYFJXJIRW-UHFFFAOYSA-N 0 1 247.386 3.081 20 0 BGADMN C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)C(C)(F)F ZINC000418061803 387080591 /nfs/dbraw/zinc/08/05/91/387080591.db2.gz AZJHPXCOUZOUMY-DRZSPHRISA-N 0 1 239.309 3.423 20 0 BGADMN C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)C(C)(F)F ZINC000418061804 387081127 /nfs/dbraw/zinc/08/11/27/387081127.db2.gz AZJHPXCOUZOUMY-WXHSDQCUSA-N 0 1 239.309 3.423 20 0 BGADMN CC[C@H](NC[C@@H]1C[C@H]1c1ccccc1)C(F)F ZINC000418077549 387086824 /nfs/dbraw/zinc/08/68/24/387086824.db2.gz LWVAFZAOCCOJCL-AVGNSLFASA-N 0 1 239.309 3.423 20 0 BGADMN CC[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)C(F)F ZINC000418077550 387087267 /nfs/dbraw/zinc/08/72/67/387087267.db2.gz LWVAFZAOCCOJCL-RWMBFGLXSA-N 0 1 239.309 3.423 20 0 BGADMN Cc1ccc(CC(C)(C)NCc2cocn2)cc1 ZINC000418100068 387131426 /nfs/dbraw/zinc/13/14/26/387131426.db2.gz CTRRCDAOWNXIDJ-UHFFFAOYSA-N 0 1 244.338 3.094 20 0 BGADMN CC[C@H]([NH2+]Cc1nc(C)ccc1[O-])[C@H]1CC1(C)C ZINC000418100213 387131121 /nfs/dbraw/zinc/13/11/21/387131121.db2.gz DEZXNGOGYDNQML-NEPJUHHUSA-N 0 1 248.370 3.010 20 0 BGADMN CC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])[C@@H]1CC1(C)C ZINC000418100214 387130985 /nfs/dbraw/zinc/13/09/85/387130985.db2.gz DEZXNGOGYDNQML-NWDGAFQWSA-N 0 1 248.370 3.010 20 0 BGADMN CC[C@H]([NH2+]Cc1nc(C)ccc1[O-])[C@@H]1CC1(C)C ZINC000418100215 387131643 /nfs/dbraw/zinc/13/16/43/387131643.db2.gz DEZXNGOGYDNQML-RYUDHWBXSA-N 0 1 248.370 3.010 20 0 BGADMN CC[C@@H]([NH2+]Cc1nc(C)ccc1[O-])[C@H]1CC1(C)C ZINC000418100216 387131241 /nfs/dbraw/zinc/13/12/41/387131241.db2.gz DEZXNGOGYDNQML-VXGBXAGGSA-N 0 1 248.370 3.010 20 0 BGADMN C[N@H+](Cc1c[nH]cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418107280 387497743 /nfs/dbraw/zinc/49/77/43/387497743.db2.gz DHNUWTJZIUQEQI-CHWSQXEVSA-N 0 1 235.375 3.056 20 0 BGADMN C[N@H+](Cc1c[nH]cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418107282 387497915 /nfs/dbraw/zinc/49/79/15/387497915.db2.gz DHNUWTJZIUQEQI-OLZOCXBDSA-N 0 1 235.375 3.056 20 0 BGADMN C[N@H+](Cc1c[nH]cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418107283 387497471 /nfs/dbraw/zinc/49/74/71/387497471.db2.gz DHNUWTJZIUQEQI-QWHCGFSZSA-N 0 1 235.375 3.056 20 0 BGADMN C[N@H+](Cc1c[nH]cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418107284 387497949 /nfs/dbraw/zinc/49/79/49/387497949.db2.gz DHNUWTJZIUQEQI-STQMWFEESA-N 0 1 235.375 3.056 20 0 BGADMN COCCCCN(C)Cc1ccsc1Cl ZINC000418137379 387174623 /nfs/dbraw/zinc/17/46/23/387174623.db2.gz BONNQMHVVOBXSI-UHFFFAOYSA-N 0 1 247.791 3.260 20 0 BGADMN COCCCCN(C)Cc1sccc1Cl ZINC000418145786 387168970 /nfs/dbraw/zinc/16/89/70/387168970.db2.gz NYSNFOHWCJUCLI-UHFFFAOYSA-N 0 1 247.791 3.260 20 0 BGADMN CC[C@H](CN(C)Cc1ccccc1Cl)OC ZINC000419190490 192108329 /nfs/dbraw/zinc/10/83/29/192108329.db2.gz IINGLSPLUMDXSD-GFCCVEGCSA-N 0 1 241.762 3.197 20 0 BGADMN CC[C@@H](CN(C)Cc1ccccc1Cl)OC ZINC000419190491 192108912 /nfs/dbraw/zinc/10/89/12/192108912.db2.gz IINGLSPLUMDXSD-LBPRGKRZSA-N 0 1 241.762 3.197 20 0 BGADMN C[C@@H]1c2ccccc2CN1CCOCC1CCC1 ZINC000419220462 192105953 /nfs/dbraw/zinc/10/59/53/192105953.db2.gz URQYEUCDLNDELP-CYBMUJFWSA-N 0 1 245.366 3.380 20 0 BGADMN C[C@H]1c2ccccc2CN1CCOCC1CCC1 ZINC000419220463 192106363 /nfs/dbraw/zinc/10/63/63/192106363.db2.gz URQYEUCDLNDELP-ZDUSSCGKSA-N 0 1 245.366 3.380 20 0 BGADMN CC[C@@H](CN1CC2(CCC2)[C@H]1c1ccco1)OC ZINC000419276334 192111206 /nfs/dbraw/zinc/11/12/06/192111206.db2.gz FAHYFLPNMRAYHB-GXTWGEPZSA-N 0 1 249.354 3.232 20 0 BGADMN CC[C@@H](CN1CC2(CCC2)[C@@H]1c1ccco1)OC ZINC000419276335 192111112 /nfs/dbraw/zinc/11/11/12/192111112.db2.gz FAHYFLPNMRAYHB-JSGCOSHPSA-N 0 1 249.354 3.232 20 0 BGADMN CC[C@H](CN1CC2(CCC2)[C@@H]1c1ccco1)OC ZINC000419276336 192111426 /nfs/dbraw/zinc/11/14/26/192111426.db2.gz FAHYFLPNMRAYHB-OCCSQVGLSA-N 0 1 249.354 3.232 20 0 BGADMN CC[C@H](CN1CC2(CCC2)[C@H]1c1ccco1)OC ZINC000419276337 192111184 /nfs/dbraw/zinc/11/11/84/192111184.db2.gz FAHYFLPNMRAYHB-TZMCWYRMSA-N 0 1 249.354 3.232 20 0 BGADMN Cc1ccc2c(c1)CN(CCOCC1CCC1)C2 ZINC000419296271 192119508 /nfs/dbraw/zinc/11/95/08/192119508.db2.gz RUCXPCFXFMAQNT-UHFFFAOYSA-N 0 1 245.366 3.127 20 0 BGADMN Cc1ccc(CC(C)(C)NCc2ccon2)cc1 ZINC000419310208 192120000 /nfs/dbraw/zinc/12/00/00/192120000.db2.gz AAHCXBSNWXTVIC-UHFFFAOYSA-N 0 1 244.338 3.094 20 0 BGADMN C[C@H]1[C@@H](C)N(Cc2ncc(C3CC3)o2)C[C@H]1C ZINC000419338153 192125064 /nfs/dbraw/zinc/12/50/64/192125064.db2.gz BYUHKNYBVRHNON-GMTAPVOTSA-N 0 1 234.343 3.028 20 0 BGADMN C[C@@H]1[C@H](C)CN(Cc2ncc(C3CC3)o2)[C@H]1C ZINC000419338154 192125325 /nfs/dbraw/zinc/12/53/25/192125325.db2.gz BYUHKNYBVRHNON-MXWKQRLJSA-N 0 1 234.343 3.028 20 0 BGADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ncc(C2CC2)o1 ZINC000419338155 192124835 /nfs/dbraw/zinc/12/48/35/192124835.db2.gz BYUHKNYBVRHNON-OUAUKWLOSA-N 0 1 234.343 3.028 20 0 BGADMN C[C@@H]1CN(Cc2ncc(C3CC3)o2)[C@@H](C)[C@H]1C ZINC000419338156 192125307 /nfs/dbraw/zinc/12/53/07/192125307.db2.gz BYUHKNYBVRHNON-VWYCJHECSA-N 0 1 234.343 3.028 20 0 BGADMN C1=C(CSCc2n[nH]c(C3CC3)n2)CCCC1 ZINC000419597593 192143367 /nfs/dbraw/zinc/14/33/67/192143367.db2.gz PMNNAAHKGNOIFN-UHFFFAOYSA-N 0 1 249.383 3.416 20 0 BGADMN CC1(CNc2ccc3nc[nH]c3c2)CCC1 ZINC000419724649 192144483 /nfs/dbraw/zinc/14/44/83/192144483.db2.gz HISQSWSOYVVZBW-UHFFFAOYSA-N 0 1 215.300 3.165 20 0 BGADMN CC[C@@H](C)CNc1ccc2nc[nH]c2c1 ZINC000419735620 192145285 /nfs/dbraw/zinc/14/52/85/192145285.db2.gz VZINRKAKWMDOIP-SECBINFHSA-N 0 1 203.289 3.021 20 0 BGADMN CC[C@H](C)CNc1ccc2nc[nH]c2c1 ZINC000419735622 192144812 /nfs/dbraw/zinc/14/48/12/192144812.db2.gz VZINRKAKWMDOIP-VIFPVBQESA-N 0 1 203.289 3.021 20 0 BGADMN Cc1cccc(NC[C@H]2CC23CCSCC3)n1 ZINC000420649502 192255271 /nfs/dbraw/zinc/25/52/71/192255271.db2.gz GEEHBQAIDQSBPN-GFCCVEGCSA-N 0 1 248.395 3.335 20 0 BGADMN Cc1cccc(NC[C@@H]2CC23CCSCC3)n1 ZINC000420649503 192255492 /nfs/dbraw/zinc/25/54/92/192255492.db2.gz GEEHBQAIDQSBPN-LBPRGKRZSA-N 0 1 248.395 3.335 20 0 BGADMN Cc1ccnc(NC[C@H]2CC23CCSCC3)c1 ZINC000420657123 192256375 /nfs/dbraw/zinc/25/63/75/192256375.db2.gz WBVGIFXLJVBBMA-GFCCVEGCSA-N 0 1 248.395 3.335 20 0 BGADMN Cc1ccnc(NC[C@@H]2CC23CCSCC3)c1 ZINC000420657124 192256028 /nfs/dbraw/zinc/25/60/28/192256028.db2.gz WBVGIFXLJVBBMA-LBPRGKRZSA-N 0 1 248.395 3.335 20 0 BGADMN CC[C@@H](F)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420946556 192275785 /nfs/dbraw/zinc/27/57/85/192275785.db2.gz MCMVMZPELAEKPV-NXEZZACHSA-N 0 1 241.272 3.399 20 0 BGADMN CC[C@H](F)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946562 192276625 /nfs/dbraw/zinc/27/66/25/192276625.db2.gz MCMVMZPELAEKPV-UWVGGRQHSA-N 0 1 241.272 3.399 20 0 BGADMN CC[C@@H](F)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946563 192275902 /nfs/dbraw/zinc/27/59/02/192275902.db2.gz MCMVMZPELAEKPV-VHSXEESVSA-N 0 1 241.272 3.399 20 0 BGADMN CC[C@H](F)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420946564 192275821 /nfs/dbraw/zinc/27/58/21/192275821.db2.gz MCMVMZPELAEKPV-ZJUUUORDSA-N 0 1 241.272 3.399 20 0 BGADMN CC[C@H]1CN(Cc2cccs2)C[C@H](CC)O1 ZINC000420953185 192277354 /nfs/dbraw/zinc/27/73/54/192277354.db2.gz IUHXGJZUAUVILJ-RYUDHWBXSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1CN(Cc2cccs2)C[C@H](CC)O1 ZINC000420953188 192277702 /nfs/dbraw/zinc/27/77/02/192277702.db2.gz IUHXGJZUAUVILJ-TXEJJXNPSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1CN(Cc2cccs2)C[C@@H](CC)O1 ZINC000420953190 192277906 /nfs/dbraw/zinc/27/79/06/192277906.db2.gz IUHXGJZUAUVILJ-VXGBXAGGSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1CN([C@@H](C)c2cccnc2)C[C@H](CC)O1 ZINC000420966431 192284793 /nfs/dbraw/zinc/28/47/93/192284793.db2.gz ZVTJFKPQQXBQTI-AEGPPILISA-N 0 1 248.370 3.032 20 0 BGADMN CC[C@@H]1CN([C@H](C)c2cccnc2)C[C@@H](CC)O1 ZINC000420966433 192285046 /nfs/dbraw/zinc/28/50/46/192285046.db2.gz ZVTJFKPQQXBQTI-BPLDGKMQSA-N 0 1 248.370 3.032 20 0 BGADMN CC[C@@H]1CN([C@@H](C)c2cccnc2)C[C@@H](CC)O1 ZINC000420966435 192285084 /nfs/dbraw/zinc/28/50/84/192285084.db2.gz ZVTJFKPQQXBQTI-NWANDNLSSA-N 0 1 248.370 3.032 20 0 BGADMN CC[C@@H]1CN([C@H](C)c2cccnc2)C[C@H](CC)O1 ZINC000420966436 192285393 /nfs/dbraw/zinc/28/53/93/192285393.db2.gz ZVTJFKPQQXBQTI-YUELXQCFSA-N 0 1 248.370 3.032 20 0 BGADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@]23CCOC3)C1 ZINC000421014640 192302230 /nfs/dbraw/zinc/30/22/30/192302230.db2.gz HMPPZOUDKNJSQL-ILXRZTDVSA-N 0 1 237.387 3.068 20 0 BGADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@]23CCOC3)C1 ZINC000421014643 192301934 /nfs/dbraw/zinc/30/19/34/192301934.db2.gz HMPPZOUDKNJSQL-KFWWJZLASA-N 0 1 237.387 3.068 20 0 BGADMN C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@]23CCOC3)C1 ZINC000421014646 192301248 /nfs/dbraw/zinc/30/12/48/192301248.db2.gz HMPPZOUDKNJSQL-QLFBSQMISA-N 0 1 237.387 3.068 20 0 BGADMN C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@]23CCOC3)C1 ZINC000421014648 192303085 /nfs/dbraw/zinc/30/30/85/192303085.db2.gz HMPPZOUDKNJSQL-RBSFLKMASA-N 0 1 237.387 3.068 20 0 BGADMN CC1(C)COCCN1Cc1cccc(C2CC2)c1 ZINC000421318313 192316665 /nfs/dbraw/zinc/31/66/65/192316665.db2.gz DNAHNIWMZCNYCO-UHFFFAOYSA-N 0 1 245.366 3.175 20 0 BGADMN CC[C@H]1COCCN1Cc1cccc(C2CC2)c1 ZINC000421319070 192316567 /nfs/dbraw/zinc/31/65/67/192316567.db2.gz JWLWMVSHTJLGNA-INIZCTEOSA-N 0 1 245.366 3.175 20 0 BGADMN CC[C@@H]1COCCN1Cc1cccc(C2CC2)c1 ZINC000421319071 192317037 /nfs/dbraw/zinc/31/70/37/192317037.db2.gz JWLWMVSHTJLGNA-MRXNPFEDSA-N 0 1 245.366 3.175 20 0 BGADMN C[C@H]1OCCN(Cc2cccc(C3CC3)c2)[C@@H]1C ZINC000421320158 192316774 /nfs/dbraw/zinc/31/67/74/192316774.db2.gz OXRPOWOIVKADMB-CHWSQXEVSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@@H]1[C@H](C)OCCN1Cc1cccc(C2CC2)c1 ZINC000421320160 192317143 /nfs/dbraw/zinc/31/71/43/192317143.db2.gz OXRPOWOIVKADMB-OLZOCXBDSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@H]1OCCN(Cc2cccc(C3CC3)c2)[C@H]1C ZINC000421320163 192317194 /nfs/dbraw/zinc/31/71/94/192317194.db2.gz OXRPOWOIVKADMB-QWHCGFSZSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@@H]1OCCN(Cc2cccc(C3CC3)c2)[C@H]1C ZINC000421320166 192316940 /nfs/dbraw/zinc/31/69/40/192316940.db2.gz OXRPOWOIVKADMB-STQMWFEESA-N 0 1 245.366 3.173 20 0 BGADMN CCC[C@H](CC)NCc1nn(C)c(C)c1Cl ZINC000421325101 192318052 /nfs/dbraw/zinc/31/80/52/192318052.db2.gz KUUOHQSENHALAT-JTQLQIEISA-N 0 1 243.782 3.050 20 0 BGADMN CCC[C@@H](CC)NCc1nn(C)c(C)c1Cl ZINC000421325103 192317705 /nfs/dbraw/zinc/31/77/05/192317705.db2.gz KUUOHQSENHALAT-SNVBAGLBSA-N 0 1 243.782 3.050 20 0 BGADMN C[C@@H]1CN(Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421325679 192317593 /nfs/dbraw/zinc/31/75/93/192317593.db2.gz DKHYNLCKXWORDD-BETUJISGSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@@H]1CN(Cc2cccc(C3CC3)c2)[C@H](C)CO1 ZINC000421329717 192318239 /nfs/dbraw/zinc/31/82/39/192318239.db2.gz OSIZEHNUZQEEQA-CHWSQXEVSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@@H]1CO[C@@H](C)CN1Cc1cccc(C2CC2)c1 ZINC000421329718 192318464 /nfs/dbraw/zinc/31/84/64/192318464.db2.gz OSIZEHNUZQEEQA-OLZOCXBDSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@@H]1CN(Cc2cccc(C3CC3)c2)[C@@H](C)CO1 ZINC000421329719 192317874 /nfs/dbraw/zinc/31/78/74/192317874.db2.gz OSIZEHNUZQEEQA-QWHCGFSZSA-N 0 1 245.366 3.173 20 0 BGADMN C[C@H]1CN(Cc2cccc(C3CC3)c2)[C@@H](C)CO1 ZINC000421329720 192318172 /nfs/dbraw/zinc/31/81/72/192318172.db2.gz OSIZEHNUZQEEQA-STQMWFEESA-N 0 1 245.366 3.173 20 0 BGADMN CCCC(C)(C)NCc1nn(C)c(C)c1Cl ZINC000421329897 192317338 /nfs/dbraw/zinc/31/73/38/192317338.db2.gz WKJGHGHFQUXJHK-UHFFFAOYSA-N 0 1 243.782 3.050 20 0 BGADMN CC1(C)CN(Cc2cccc(C3CC3)c2)CCO1 ZINC000421330443 192317570 /nfs/dbraw/zinc/31/75/70/192317570.db2.gz QUEWKRVGLVSHKR-UHFFFAOYSA-N 0 1 245.366 3.175 20 0 BGADMN C[C@@H](NC1CC2(C1)CCCCC2)c1ccon1 ZINC000421340690 192318583 /nfs/dbraw/zinc/31/85/83/192318583.db2.gz IYSJPWBBCUHUOE-LLVKDONJSA-N 0 1 234.343 3.438 20 0 BGADMN C[C@H](NC1CC2(C1)CCCCC2)c1ccon1 ZINC000421340691 388027111 /nfs/dbraw/zinc/02/71/11/388027111.db2.gz IYSJPWBBCUHUOE-NSHDSACASA-N 0 1 234.343 3.438 20 0 BGADMN CCC(C)(CC)NCc1nn(C)c(C)c1Cl ZINC000421363595 192333438 /nfs/dbraw/zinc/33/34/38/192333438.db2.gz LUQWBGVSXOJBEG-UHFFFAOYSA-N 0 1 243.782 3.050 20 0 BGADMN Cc1cc(CNCc2ccccc2F)cc(C)n1 ZINC000421376254 192322970 /nfs/dbraw/zinc/32/29/70/192322970.db2.gz JECWDGMNDWYFOC-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN CCc1ccc(CNCc2cc(C)nc(C)c2)o1 ZINC000421381158 192324104 /nfs/dbraw/zinc/32/41/04/192324104.db2.gz MPAFODXSFJWBEK-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN F[C@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000421381571 192324840 /nfs/dbraw/zinc/32/48/40/192324840.db2.gz LHNOGONWWVEZCR-AWEZNQCLSA-N 0 1 219.303 3.108 20 0 BGADMN F[C@@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000421381572 192324051 /nfs/dbraw/zinc/32/40/51/192324051.db2.gz LHNOGONWWVEZCR-CQSZACIVSA-N 0 1 219.303 3.108 20 0 BGADMN FC(F)(F)C[C@@H]1CCCN(Cc2ccco2)C1 ZINC000421381644 192325816 /nfs/dbraw/zinc/32/58/16/192325816.db2.gz AQQFLQJDCGALMR-JTQLQIEISA-N 0 1 247.260 3.444 20 0 BGADMN FC(F)(F)C[C@H]1CCCN(Cc2ccco2)C1 ZINC000421381646 192325850 /nfs/dbraw/zinc/32/58/50/192325850.db2.gz AQQFLQJDCGALMR-SNVBAGLBSA-N 0 1 247.260 3.444 20 0 BGADMN FC[C@@H]1CCCN1Cc1cccc(C2CC2)c1 ZINC000421386061 192326561 /nfs/dbraw/zinc/32/65/61/192326561.db2.gz REFTZTKUKKBDTP-HNNXBMFYSA-N 0 1 233.330 3.498 20 0 BGADMN FC[C@H]1CCCN1Cc1cccc(C2CC2)c1 ZINC000421386065 192327178 /nfs/dbraw/zinc/32/71/78/192327178.db2.gz REFTZTKUKKBDTP-OAHLLOKOSA-N 0 1 233.330 3.498 20 0 BGADMN CC(C)N(Cc1cccc(C2CC2)c1)C1COC1 ZINC000421390243 192328544 /nfs/dbraw/zinc/32/85/44/192328544.db2.gz ZSLQQNAPLRGHCL-UHFFFAOYSA-N 0 1 245.366 3.173 20 0 BGADMN Cc1cc(CNCc2ccsc2)cc(C)n1 ZINC000421391668 388029297 /nfs/dbraw/zinc/02/92/97/388029297.db2.gz WOPDZVMMJXEMCJ-UHFFFAOYSA-N 0 1 232.352 3.050 20 0 BGADMN CC[C@@H]1CN(Cc2ccsc2)C[C@H](CC)O1 ZINC000421398366 192329526 /nfs/dbraw/zinc/32/95/26/192329526.db2.gz YUEORUKJMLJNEH-BETUJISGSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1CN(Cc2ccsc2)C[C@@H](CC)O1 ZINC000421398367 192329031 /nfs/dbraw/zinc/32/90/31/192329031.db2.gz YUEORUKJMLJNEH-CHWSQXEVSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@H]1CN(Cc2ccsc2)C[C@H](CC)O1 ZINC000421398368 192329778 /nfs/dbraw/zinc/32/97/78/192329778.db2.gz YUEORUKJMLJNEH-STQMWFEESA-N 0 1 239.384 3.138 20 0 BGADMN CCn1ccnc1NCc1cccc(C2CC2)c1 ZINC000421809290 192388101 /nfs/dbraw/zinc/38/81/01/192388101.db2.gz ARXHAMLSHDWWNJ-UHFFFAOYSA-N 0 1 241.338 3.393 20 0 BGADMN CC(C)=CCN[C@@H](C)c1ccncc1Cl ZINC000421844789 192393789 /nfs/dbraw/zinc/39/37/89/192393789.db2.gz USZAPVDLKYAEDN-JTQLQIEISA-N 0 1 224.735 3.352 20 0 BGADMN CC(C)=CCN[C@H](C)c1ccncc1Cl ZINC000421844790 192393058 /nfs/dbraw/zinc/39/30/58/192393058.db2.gz USZAPVDLKYAEDN-SNVBAGLBSA-N 0 1 224.735 3.352 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cc(C)nc(C)c2)o1 ZINC000421848809 192393799 /nfs/dbraw/zinc/39/37/99/192393799.db2.gz AOQJEMYNNVBAPP-CYBMUJFWSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ccc([C@H](C)NCc2cc(C)nc(C)c2)o1 ZINC000421848813 192393604 /nfs/dbraw/zinc/39/36/04/192393604.db2.gz AOQJEMYNNVBAPP-ZDUSSCGKSA-N 0 1 244.338 3.451 20 0 BGADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccncc1Cl ZINC000421850157 192394078 /nfs/dbraw/zinc/39/40/78/192394078.db2.gz CZNNWJRCBHRHCU-HKPALBBZSA-N 0 1 246.688 3.039 20 0 BGADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccncc1Cl ZINC000421850159 192394199 /nfs/dbraw/zinc/39/41/99/192394199.db2.gz CZNNWJRCBHRHCU-PMVVWTBXSA-N 0 1 246.688 3.039 20 0 BGADMN COc1ccc([C@H](NCCF)C(C)C)c(F)c1 ZINC000421851581 200852286 /nfs/dbraw/zinc/85/22/86/200852286.db2.gz GNAYHXJTHBZHNY-CYBMUJFWSA-N 0 1 243.297 3.091 20 0 BGADMN COc1ccc([C@@H](NCCF)C(C)C)c(F)c1 ZINC000421851583 387453081 /nfs/dbraw/zinc/45/30/81/387453081.db2.gz GNAYHXJTHBZHNY-ZDUSSCGKSA-N 0 1 243.297 3.091 20 0 BGADMN CC/C=C\CN[C@@H](C)c1ccncc1Cl ZINC000421857990 192390661 /nfs/dbraw/zinc/39/06/61/192390661.db2.gz PXLUDTHLSHWEIO-LWTINBJPSA-N 0 1 224.735 3.352 20 0 BGADMN CC/C=C/CN[C@H](C)c1ccncc1Cl ZINC000421857991 192390236 /nfs/dbraw/zinc/39/02/36/192390236.db2.gz PXLUDTHLSHWEIO-ORAHPGNNSA-N 0 1 224.735 3.352 20 0 BGADMN CC/C=C\CN[C@H](C)c1ccncc1Cl ZINC000421857993 192390156 /nfs/dbraw/zinc/39/01/56/192390156.db2.gz PXLUDTHLSHWEIO-UMCURTJPSA-N 0 1 224.735 3.352 20 0 BGADMN CC/C=C/CN[C@@H](C)c1ccncc1Cl ZINC000421857995 192390432 /nfs/dbraw/zinc/39/04/32/192390432.db2.gz PXLUDTHLSHWEIO-YEZKRMTDSA-N 0 1 224.735 3.352 20 0 BGADMN Cc1cc(CN[C@H](C)c2cncs2)cc(C)n1 ZINC000421869410 192397106 /nfs/dbraw/zinc/39/71/06/192397106.db2.gz DSGILRTWSPUREG-LLVKDONJSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1cc(CN[C@@H](C)c2cncs2)cc(C)n1 ZINC000421869412 192397118 /nfs/dbraw/zinc/39/71/18/192397118.db2.gz DSGILRTWSPUREG-NSHDSACASA-N 0 1 247.367 3.006 20 0 BGADMN CC[C@H](C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000421872372 192397946 /nfs/dbraw/zinc/39/79/46/192397946.db2.gz GSMGQDVCHWHGDH-GXTWGEPZSA-N 0 1 243.354 3.135 20 0 BGADMN CC[C@H](C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000421872380 192398474 /nfs/dbraw/zinc/39/84/74/192398474.db2.gz GSMGQDVCHWHGDH-JSGCOSHPSA-N 0 1 243.354 3.135 20 0 BGADMN CC[C@@H](C)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000421872383 192398422 /nfs/dbraw/zinc/39/84/22/192398422.db2.gz GSMGQDVCHWHGDH-OCCSQVGLSA-N 0 1 243.354 3.135 20 0 BGADMN CC[C@@H](C)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000421872384 192398143 /nfs/dbraw/zinc/39/81/43/192398143.db2.gz GSMGQDVCHWHGDH-TZMCWYRMSA-N 0 1 243.354 3.135 20 0 BGADMN CC[C@H](C)CN[C@@H](Cc1ccccc1)C(F)F ZINC000421878691 529668748 /nfs/dbraw/zinc/66/87/48/529668748.db2.gz MGRGWBVTFLQFHC-AAEUAGOBSA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@@H](C)CN[C@H](Cc1ccccc1)C(F)F ZINC000421878692 529327906 /nfs/dbraw/zinc/32/79/06/529327906.db2.gz MGRGWBVTFLQFHC-DGCLKSJQSA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@H](C)CN[C@H](Cc1ccccc1)C(F)F ZINC000421878693 529669068 /nfs/dbraw/zinc/66/90/68/529669068.db2.gz MGRGWBVTFLQFHC-WCQYABFASA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@@H](C)CN[C@@H](Cc1ccccc1)C(F)F ZINC000421878750 206026746 /nfs/dbraw/zinc/02/67/46/206026746.db2.gz MGRGWBVTFLQFHC-YPMHNXCESA-N 0 1 241.325 3.499 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccco2)cc(C)n1 ZINC000421890409 192395485 /nfs/dbraw/zinc/39/54/85/192395485.db2.gz VHPVZQCVJPGKQX-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cc(CN[C@@H](C)c2ccco2)cc(C)n1 ZINC000421890415 192394808 /nfs/dbraw/zinc/39/48/08/192394808.db2.gz VHPVZQCVJPGKQX-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000422551681 387598862 /nfs/dbraw/zinc/59/88/62/387598862.db2.gz OBKVULMYURQGLW-KKOKHZNYSA-N 0 1 249.358 3.019 20 0 BGADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000422551683 387599086 /nfs/dbraw/zinc/59/90/86/387599086.db2.gz OBKVULMYURQGLW-USZNOCQGSA-N 0 1 249.358 3.019 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cc(C)cc(N)c2)o1 ZINC000423474855 387321889 /nfs/dbraw/zinc/32/18/89/387321889.db2.gz HTHNLPXULZEPCK-GFCCVEGCSA-N 0 1 244.338 3.329 20 0 BGADMN Cc1ccc([C@H](C)NCc2cc(C)cc(N)c2)o1 ZINC000423474856 387321143 /nfs/dbraw/zinc/32/11/43/387321143.db2.gz HTHNLPXULZEPCK-LBPRGKRZSA-N 0 1 244.338 3.329 20 0 BGADMN Cc1cc(N)cc(CN[C@H](C)c2ccco2)c1 ZINC000423489342 387332993 /nfs/dbraw/zinc/33/29/93/387332993.db2.gz WDMYRTWAQRPWBU-LLVKDONJSA-N 0 1 230.311 3.021 20 0 BGADMN Cc1cc(N)cc(CN[C@@H](C)c2ccco2)c1 ZINC000423489343 387333640 /nfs/dbraw/zinc/33/36/40/387333640.db2.gz WDMYRTWAQRPWBU-NSHDSACASA-N 0 1 230.311 3.021 20 0 BGADMN Cc1cc(F)c(CNC2CC(C)(F)C2)c(F)c1 ZINC000424165312 387851687 /nfs/dbraw/zinc/85/16/87/387851687.db2.gz AUMXHEJGUYQDBP-UHFFFAOYSA-N 0 1 243.272 3.253 20 0 BGADMN Cc1cc(F)c(CNCCC(C)(F)F)c(F)c1 ZINC000424173615 387873613 /nfs/dbraw/zinc/87/36/13/387873613.db2.gz LLKZXFJJSILHHQ-UHFFFAOYSA-N 0 1 249.251 3.408 20 0 BGADMN Fc1cccc(Cl)c1CN[C@@H]1CC12CC2 ZINC000424181040 385109648 /nfs/dbraw/zinc/10/96/48/385109648.db2.gz ALCAXNUKUNBETI-LLVKDONJSA-N 0 1 225.694 3.121 20 0 BGADMN Fc1cccc(Cl)c1CN[C@H]1CC12CC2 ZINC000424181043 385110291 /nfs/dbraw/zinc/11/02/91/385110291.db2.gz ALCAXNUKUNBETI-NSHDSACASA-N 0 1 225.694 3.121 20 0 BGADMN c1sc(C2CC2)nc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424187193 387904026 /nfs/dbraw/zinc/90/40/26/387904026.db2.gz ALVYTCBWMYJOSY-QWHCGFSZSA-N 0 1 248.395 3.299 20 0 BGADMN Cc1cc(F)c(CN[C@@H]2CC23CC3)c(Cl)c1 ZINC000424187282 385104133 /nfs/dbraw/zinc/10/41/33/385104133.db2.gz VGMBAZVOGDVGPU-GFCCVEGCSA-N 0 1 239.721 3.430 20 0 BGADMN Cc1cc(F)c(CN[C@H]2CC23CC3)c(Cl)c1 ZINC000424187289 385105525 /nfs/dbraw/zinc/10/55/25/385105525.db2.gz VGMBAZVOGDVGPU-LBPRGKRZSA-N 0 1 239.721 3.430 20 0 BGADMN CC(C)(C)c1nc(CN[C@H]2CC23CC3)cs1 ZINC000424187700 200882268 /nfs/dbraw/zinc/88/22/68/200882268.db2.gz WFJYEMSNCJEQKK-JTQLQIEISA-N 0 1 236.384 3.083 20 0 BGADMN CC(C)(C)c1nc(CN[C@@H]2CC23CC3)cs1 ZINC000424187702 385104931 /nfs/dbraw/zinc/10/49/31/385104931.db2.gz WFJYEMSNCJEQKK-SNVBAGLBSA-N 0 1 236.384 3.083 20 0 BGADMN Clc1cnc(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424188380 387907959 /nfs/dbraw/zinc/90/79/59/387907959.db2.gz BYNZTRZNOJUFDH-DTWKUNHWSA-N 0 1 242.775 3.075 20 0 BGADMN CC(C)(C)c1cnc(CN[C@@H]2CC23CC3)s1 ZINC000424189147 385118784 /nfs/dbraw/zinc/11/87/84/385118784.db2.gz ZYAOTPXRYNKAPB-SECBINFHSA-N 0 1 236.384 3.083 20 0 BGADMN CC(C)(C)c1cnc(CN[C@H]2CC23CC3)s1 ZINC000424189149 385118301 /nfs/dbraw/zinc/11/83/01/385118301.db2.gz ZYAOTPXRYNKAPB-VIFPVBQESA-N 0 1 236.384 3.083 20 0 BGADMN CC(C)=CCNCc1c(F)cc(C)cc1F ZINC000424192750 206035039 /nfs/dbraw/zinc/03/50/39/206035039.db2.gz PMHOKTXCGXJTME-UHFFFAOYSA-N 0 1 225.282 3.329 20 0 BGADMN F[C@]1(c2ccccc2)C[C@H]1NCc1ccccc1 ZINC000424199056 387927284 /nfs/dbraw/zinc/92/72/84/387927284.db2.gz PRSCLXIKPFPFAW-CVEARBPZSA-N 0 1 241.309 3.414 20 0 BGADMN F[C@]1(c2ccccc2)C[C@@H]1NCc1ccccc1 ZINC000424199062 387926831 /nfs/dbraw/zinc/92/68/31/387926831.db2.gz PRSCLXIKPFPFAW-HOTGVXAUSA-N 0 1 241.309 3.414 20 0 BGADMN F[C@@]1(c2ccccc2)C[C@H]1NCc1ccccc1 ZINC000424199065 200886932 /nfs/dbraw/zinc/88/69/32/200886932.db2.gz PRSCLXIKPFPFAW-HZPDHXFCSA-N 0 1 241.309 3.414 20 0 BGADMN F[C@@]1(c2ccccc2)C[C@@H]1NCc1ccccc1 ZINC000424199067 387927389 /nfs/dbraw/zinc/92/73/89/387927389.db2.gz PRSCLXIKPFPFAW-JKSUJKDBSA-N 0 1 241.309 3.414 20 0 BGADMN F[C@]1(c2ccccc2)C[C@@H]1NCc1cccs1 ZINC000424202056 206034543 /nfs/dbraw/zinc/03/45/43/206034543.db2.gz SFAFGSUFQZZASA-KBPBESRZSA-N 0 1 247.338 3.475 20 0 BGADMN F[C@]1(c2ccccc2)C[C@H]1NCc1cccs1 ZINC000424202058 206034888 /nfs/dbraw/zinc/03/48/88/206034888.db2.gz SFAFGSUFQZZASA-KGLIPLIRSA-N 0 1 247.338 3.475 20 0 BGADMN F[C@@]1(c2ccccc2)C[C@@H]1NCc1cccs1 ZINC000424202061 206035619 /nfs/dbraw/zinc/03/56/19/206035619.db2.gz SFAFGSUFQZZASA-UONOGXRCSA-N 0 1 247.338 3.475 20 0 BGADMN F[C@@]1(c2ccccc2)C[C@H]1NCc1cccs1 ZINC000424202063 206034389 /nfs/dbraw/zinc/03/43/89/206034389.db2.gz SFAFGSUFQZZASA-ZIAGYGMSSA-N 0 1 247.338 3.475 20 0 BGADMN Fc1cccc(F)c1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424209254 387930251 /nfs/dbraw/zinc/93/02/51/387930251.db2.gz ZLVUNPXHCXJKCP-IINYFYTJSA-N 0 1 237.293 3.243 20 0 BGADMN CC(C)c1nc([C@H](C)N[C@@H]2CC23CC3)cs1 ZINC000424312967 385157205 /nfs/dbraw/zinc/15/72/05/385157205.db2.gz AHQQWKVKIIWXCS-GXSJLCMTSA-N 0 1 236.384 3.470 20 0 BGADMN CC(C)c1nc([C@@H](C)N[C@H]2CC23CC3)cs1 ZINC000424312968 200906434 /nfs/dbraw/zinc/90/64/34/200906434.db2.gz AHQQWKVKIIWXCS-KOLCDFICSA-N 0 1 236.384 3.470 20 0 BGADMN CC(C)c1nc([C@@H](C)N[C@@H]2CC23CC3)cs1 ZINC000424312969 385157503 /nfs/dbraw/zinc/15/75/03/385157503.db2.gz AHQQWKVKIIWXCS-MWLCHTKSSA-N 0 1 236.384 3.470 20 0 BGADMN CC(C)c1nc([C@H](C)N[C@H]2CC23CC3)cs1 ZINC000424312970 385157870 /nfs/dbraw/zinc/15/78/70/385157870.db2.gz AHQQWKVKIIWXCS-ONGXEEELSA-N 0 1 236.384 3.470 20 0 BGADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424333889 387978554 /nfs/dbraw/zinc/97/85/54/387978554.db2.gz UQLRZUPHMOFHQK-JFUSQASVSA-N 0 1 236.384 3.291 20 0 BGADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424333890 387978645 /nfs/dbraw/zinc/97/86/45/387978645.db2.gz UQLRZUPHMOFHQK-KPXOXKRLSA-N 0 1 236.384 3.291 20 0 BGADMN CCC/C(C)=C\c1nc(C2(N)CCCCC2)no1 ZINC000424338902 387981082 /nfs/dbraw/zinc/98/10/82/387981082.db2.gz BKACSDHCALXQAW-KHPPLWFESA-N 0 1 249.358 3.391 20 0 BGADMN CCC/C(C)=C/c1nc(C2(N)CCCCC2)no1 ZINC000424338904 387980764 /nfs/dbraw/zinc/98/07/64/387980764.db2.gz BKACSDHCALXQAW-ZHACJKMWSA-N 0 1 249.358 3.391 20 0 BGADMN CCC(=Cc1nc(C2(N)CCCCC2)no1)CC ZINC000424339514 387982185 /nfs/dbraw/zinc/98/21/85/387982185.db2.gz CVQJTARXTXYPLX-UHFFFAOYSA-N 0 1 249.358 3.391 20 0 BGADMN CCC[C@@H]1C[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000424344141 387984017 /nfs/dbraw/zinc/98/40/17/387984017.db2.gz KZWINIOYLWRJDU-GHMZBOCLSA-N 0 1 249.358 3.091 20 0 BGADMN CC(C)(C)/C=C/c1nc(C2(N)CCCCC2)no1 ZINC000424347395 387983790 /nfs/dbraw/zinc/98/37/90/387983790.db2.gz REAVDCCFKZXBCZ-JXMROGBWSA-N 0 1 249.358 3.247 20 0 BGADMN CC(C)(C)/C=C\c1nc(C2(N)CCCCC2)no1 ZINC000424347397 387984167 /nfs/dbraw/zinc/98/41/67/387984167.db2.gz REAVDCCFKZXBCZ-YFHOEESVSA-N 0 1 249.358 3.247 20 0 BGADMN Cc1cc(F)c(CN(C)CC2CC2)c(F)c1 ZINC000425320706 386557752 /nfs/dbraw/zinc/55/77/52/386557752.db2.gz CQHDVTNDPBVUTQ-UHFFFAOYSA-N 0 1 225.282 3.115 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1cncn1C(C)C ZINC000425323294 386562301 /nfs/dbraw/zinc/56/23/01/386562301.db2.gz IYMONTJZOSNBKV-GFCCVEGCSA-N 0 1 223.364 3.084 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1cncn1C(C)C ZINC000425323295 386562073 /nfs/dbraw/zinc/56/20/73/386562073.db2.gz IYMONTJZOSNBKV-LBPRGKRZSA-N 0 1 223.364 3.084 20 0 BGADMN Cc1cc(F)c(CN2CC[C@@H](C)C2)c(F)c1 ZINC000425331189 386665253 /nfs/dbraw/zinc/66/52/53/386665253.db2.gz XIMGTTWDMRHNIH-SECBINFHSA-N 0 1 225.282 3.115 20 0 BGADMN Cc1cc(F)c(CN2CC[C@H](C)C2)c(F)c1 ZINC000425331190 386663657 /nfs/dbraw/zinc/66/36/57/386663657.db2.gz XIMGTTWDMRHNIH-VIFPVBQESA-N 0 1 225.282 3.115 20 0 BGADMN Cc1cc(F)c(CN2CCC[C@@H]2C)c(F)c1 ZINC000425342056 386846223 /nfs/dbraw/zinc/84/62/23/386846223.db2.gz YDYDVBXZBYZEGK-JTQLQIEISA-N 0 1 225.282 3.258 20 0 BGADMN Cc1cc(F)c(CN2CCC[C@H]2C)c(F)c1 ZINC000425342058 386845600 /nfs/dbraw/zinc/84/56/00/386845600.db2.gz YDYDVBXZBYZEGK-SNVBAGLBSA-N 0 1 225.282 3.258 20 0 BGADMN CCc1cnc(CN2CC[C@@H](C)C[C@H]2C)s1 ZINC000425347202 386860023 /nfs/dbraw/zinc/86/00/23/386860023.db2.gz AKGJAWWIPSYKPI-GHMZBOCLSA-N 0 1 238.400 3.326 20 0 BGADMN Cc1ccc(CN2CC(CC(F)F)C2)s1 ZINC000425353366 191820873 /nfs/dbraw/zinc/82/08/73/191820873.db2.gz IUOIXJHDKCDGMP-UHFFFAOYSA-N 0 1 231.311 3.144 20 0 BGADMN CCc1nc(CN2CC[C@@H](C)C[C@H]2C)cs1 ZINC000425358018 386912724 /nfs/dbraw/zinc/91/27/24/386912724.db2.gz PUCYTKOKDOOAFP-GHMZBOCLSA-N 0 1 238.400 3.326 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@@H]1SC)c1nccs1 ZINC000425362716 386970519 /nfs/dbraw/zinc/97/05/19/386970519.db2.gz VRIFIGNVRZIPCP-AEJSXWLSSA-N 0 1 242.413 3.078 20 0 BGADMN CC[C@H](N[C@H]1CC[C@@H]1SC)c1nccs1 ZINC000425362717 386971449 /nfs/dbraw/zinc/97/14/49/386971449.db2.gz VRIFIGNVRZIPCP-GUBZILKMSA-N 0 1 242.413 3.078 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@H]1SC)c1nccs1 ZINC000425362858 386970436 /nfs/dbraw/zinc/97/04/36/386970436.db2.gz VRIFIGNVRZIPCP-IVZWLZJFSA-N 0 1 242.413 3.078 20 0 BGADMN CC[C@H](N[C@H]1CC[C@H]1SC)c1nccs1 ZINC000425362859 386970669 /nfs/dbraw/zinc/97/06/69/386970669.db2.gz VRIFIGNVRZIPCP-LPEHRKFASA-N 0 1 242.413 3.078 20 0 BGADMN Cc1cc(CN2CC(CC(F)F)C2)ccc1F ZINC000425363621 386973636 /nfs/dbraw/zinc/97/36/36/386973636.db2.gz CFOIGSVBBLCYOF-UHFFFAOYSA-N 0 1 243.272 3.221 20 0 BGADMN FC(F)CC1CN(C/C=C\c2ccccc2)C1 ZINC000425363779 386973518 /nfs/dbraw/zinc/97/35/18/386973518.db2.gz CVQJZIRPHCNHSX-DAXSKMNVSA-N 0 1 237.293 3.287 20 0 BGADMN FC(F)CC1CN(C/C=C/c2ccccc2)C1 ZINC000425363781 386972513 /nfs/dbraw/zinc/97/25/13/386972513.db2.gz CVQJZIRPHCNHSX-QPJJXVBHSA-N 0 1 237.293 3.287 20 0 BGADMN Cc1ccc(F)cc1CN1CC(CC(F)F)C1 ZINC000425364455 191824019 /nfs/dbraw/zinc/82/40/19/191824019.db2.gz GQQMHPYBJAGGTJ-UHFFFAOYSA-N 0 1 243.272 3.221 20 0 BGADMN Cc1ccc(CN2CC(CC(F)F)C2)cc1F ZINC000425364615 386975472 /nfs/dbraw/zinc/97/54/72/386975472.db2.gz GSHQBMPIHJDRHO-UHFFFAOYSA-N 0 1 243.272 3.221 20 0 BGADMN Cc1cc(F)ccc1CN1CC(CC(F)F)C1 ZINC000425364877 387021944 /nfs/dbraw/zinc/02/19/44/387021944.db2.gz HSYXQLANULCMEL-UHFFFAOYSA-N 0 1 243.272 3.221 20 0 BGADMN CC(C)n1cncc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000425365227 387023172 /nfs/dbraw/zinc/02/31/72/387023172.db2.gz YAANACFMUUEIRL-CYBMUJFWSA-N 0 1 249.402 3.332 20 0 BGADMN CC(C)n1cncc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000425365228 387021900 /nfs/dbraw/zinc/02/19/00/387021900.db2.gz YAANACFMUUEIRL-ZDUSSCGKSA-N 0 1 249.402 3.332 20 0 BGADMN Cc1cc(CN2CC(CC(F)F)C2)cs1 ZINC000425366164 387023948 /nfs/dbraw/zinc/02/39/48/387023948.db2.gz OKDYAKJCLGCREM-UHFFFAOYSA-N 0 1 231.311 3.144 20 0 BGADMN CCC1(CC)CN(Cc2cncn2C(C)C)C1 ZINC000425366855 387024649 /nfs/dbraw/zinc/02/46/49/387024649.db2.gz GRDPZNMCTXZWFK-UHFFFAOYSA-N 0 1 235.375 3.086 20 0 BGADMN Cc1sccc1CN1CC(CC(F)F)C1 ZINC000425368786 387025806 /nfs/dbraw/zinc/02/58/06/387025806.db2.gz XXOLVDHGCQDSAX-UHFFFAOYSA-N 0 1 231.311 3.144 20 0 BGADMN CC(C)n1cncc1CN1CC(C2CCCC2)C1 ZINC000425375219 387016247 /nfs/dbraw/zinc/01/62/47/387016247.db2.gz YXVGFPHLYPFMNV-UHFFFAOYSA-N 0 1 247.386 3.086 20 0 BGADMN CS[C@@H]1CC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000425377989 387029606 /nfs/dbraw/zinc/02/96/06/387029606.db2.gz IPMROJRUQAPVEE-CHWSQXEVSA-N 0 1 248.395 3.266 20 0 BGADMN CS[C@H]1CC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000425377990 387029869 /nfs/dbraw/zinc/02/98/69/387029869.db2.gz IPMROJRUQAPVEE-OLZOCXBDSA-N 0 1 248.395 3.266 20 0 BGADMN CS[C@@H]1CC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000425377991 387029331 /nfs/dbraw/zinc/02/93/31/387029331.db2.gz IPMROJRUQAPVEE-QWHCGFSZSA-N 0 1 248.395 3.266 20 0 BGADMN CS[C@H]1CC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000425377992 387029343 /nfs/dbraw/zinc/02/93/43/387029343.db2.gz IPMROJRUQAPVEE-STQMWFEESA-N 0 1 248.395 3.266 20 0 BGADMN CC(C)n1cncc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000425385202 387036081 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SAUYKKIUOAUGCV-QWHCGFSZSA-N 0 1 239.309 3.363 20 0 BGADMN CC[C@H](F)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000440502585 388045654 /nfs/dbraw/zinc/04/56/54/388045654.db2.gz SAUYKKIUOAUGCV-STQMWFEESA-N 0 1 239.309 3.363 20 0 BGADMN CC[C@H](F)CN1CC[C@H](CC(F)(F)F)C1 ZINC000440502824 388044075 /nfs/dbraw/zinc/04/40/75/388044075.db2.gz ICNKQLGFPVVOAO-BDAKNGLRSA-N 0 1 227.245 3.009 20 0 BGADMN CC[C@@H](F)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000440502826 388044552 /nfs/dbraw/zinc/04/45/52/388044552.db2.gz ICNKQLGFPVVOAO-DTWKUNHWSA-N 0 1 227.245 3.009 20 0 BGADMN CC[C@H](F)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000440502828 388044668 /nfs/dbraw/zinc/04/46/68/388044668.db2.gz ICNKQLGFPVVOAO-IUCAKERBSA-N 0 1 227.245 3.009 20 0 BGADMN CC[C@@H](F)CN1CC[C@H](CC(F)(F)F)C1 ZINC000440502831 388044589 /nfs/dbraw/zinc/04/45/89/388044589.db2.gz ICNKQLGFPVVOAO-RKDXNWHRSA-N 0 1 227.245 3.009 20 0 BGADMN CC[C@H](F)CN1CCc2cc(C)ccc2C1 ZINC000440503618 386748332 /nfs/dbraw/zinc/74/83/32/386748332.db2.gz UTJPRIYTUCJTRH-AWEZNQCLSA-N 0 1 221.319 3.101 20 0 BGADMN CC[C@@H](F)CN1CCc2cc(C)ccc2C1 ZINC000440503625 386749615 /nfs/dbraw/zinc/74/96/15/386749615.db2.gz UTJPRIYTUCJTRH-CQSZACIVSA-N 0 1 221.319 3.101 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccc(F)cc1C ZINC000440507423 388046647 /nfs/dbraw/zinc/04/66/47/388046647.db2.gz GGYFGYHSTJQDBD-GFCCVEGCSA-N 0 1 227.298 3.314 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccc(F)cc1C ZINC000440507428 388047961 /nfs/dbraw/zinc/04/79/61/388047961.db2.gz GGYFGYHSTJQDBD-LBPRGKRZSA-N 0 1 227.298 3.314 20 0 BGADMN CC[C@@H](F)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000440507729 388047208 /nfs/dbraw/zinc/04/72/08/388047208.db2.gz BALAJCWCLSILGP-GFCCVEGCSA-N 0 1 243.366 3.158 20 0 BGADMN CC[C@H](F)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000440507734 388047218 /nfs/dbraw/zinc/04/72/18/388047218.db2.gz BALAJCWCLSILGP-LBPRGKRZSA-N 0 1 243.366 3.158 20 0 BGADMN CC[C@H](F)CN(C)Cc1cc(C)cc(C)c1 ZINC000440508161 388046853 /nfs/dbraw/zinc/04/68/53/388046853.db2.gz MPNCPBUHLOTIGE-AWEZNQCLSA-N 0 1 223.335 3.483 20 0 BGADMN CC[C@@H](F)CN(C)Cc1cc(C)cc(C)c1 ZINC000440508176 388047470 /nfs/dbraw/zinc/04/74/70/388047470.db2.gz MPNCPBUHLOTIGE-CQSZACIVSA-N 0 1 223.335 3.483 20 0 BGADMN CC[C@H](F)CN(C)Cc1cc(C)ccc1C ZINC000440513609 388048458 /nfs/dbraw/zinc/04/84/58/388048458.db2.gz ABCMASJYXGWMOF-AWEZNQCLSA-N 0 1 223.335 3.483 20 0 BGADMN CC[C@@H](F)CN(C)Cc1cc(C)ccc1C ZINC000440513611 388048791 /nfs/dbraw/zinc/04/87/91/388048791.db2.gz ABCMASJYXGWMOF-CQSZACIVSA-N 0 1 223.335 3.483 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccc(F)c(C)c1 ZINC000440514425 388048477 /nfs/dbraw/zinc/04/84/77/388048477.db2.gz LINDCYJPGVBDKI-GFCCVEGCSA-N 0 1 227.298 3.314 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccc(F)c(C)c1 ZINC000440514427 388049932 /nfs/dbraw/zinc/04/99/32/388049932.db2.gz LINDCYJPGVBDKI-LBPRGKRZSA-N 0 1 227.298 3.314 20 0 BGADMN CC[C@H](F)CN[C@H]1CCCc2c(O)cccc21 ZINC000440516139 388048567 /nfs/dbraw/zinc/04/85/67/388048567.db2.gz QJSHHCBXSBNWBK-GWCFXTLKSA-N 0 1 237.318 3.107 20 0 BGADMN CC[C@H](F)CN[C@@H]1CCCc2c(O)cccc21 ZINC000440516142 201483393 /nfs/dbraw/zinc/48/33/93/201483393.db2.gz QJSHHCBXSBNWBK-GXFFZTMASA-N 0 1 237.318 3.107 20 0 BGADMN CC[C@@H](F)CN[C@H]1CCCc2c(O)cccc21 ZINC000440516145 388048948 /nfs/dbraw/zinc/04/89/48/388048948.db2.gz QJSHHCBXSBNWBK-MFKMUULPSA-N 0 1 237.318 3.107 20 0 BGADMN CC[C@@H](F)CN[C@@H]1CCCc2c(O)cccc21 ZINC000440516147 388049139 /nfs/dbraw/zinc/04/91/39/388049139.db2.gz QJSHHCBXSBNWBK-ZWNOBZJWSA-N 0 1 237.318 3.107 20 0 BGADMN CC[C@H](F)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000440516491 388049806 /nfs/dbraw/zinc/04/98/06/388049806.db2.gz GALURZFKRPDXLF-CIUDSAMLSA-N 0 1 227.245 3.007 20 0 BGADMN CC[C@H](F)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000440516492 388049277 /nfs/dbraw/zinc/04/92/77/388049277.db2.gz GALURZFKRPDXLF-HRDYMLBCSA-N 0 1 227.245 3.007 20 0 BGADMN CC[C@H](F)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000440516493 388049671 /nfs/dbraw/zinc/04/96/71/388049671.db2.gz GALURZFKRPDXLF-VGMNWLOBSA-N 0 1 227.245 3.007 20 0 BGADMN CC[C@H](F)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000440516494 388049012 /nfs/dbraw/zinc/04/90/12/388049012.db2.gz GALURZFKRPDXLF-XHNCKOQMSA-N 0 1 227.245 3.007 20 0 BGADMN CC[C@H](F)CN1CCc2c(C)cc(C)cc2C1 ZINC000440524171 397929622 /nfs/dbraw/zinc/92/96/22/397929622.db2.gz JDMJZGRSZBBURG-AWEZNQCLSA-N 0 1 235.346 3.410 20 0 BGADMN CC[C@@H](F)CN1CCc2c(C)cc(C)cc2C1 ZINC000440524176 397930188 /nfs/dbraw/zinc/93/01/88/397930188.db2.gz JDMJZGRSZBBURG-CQSZACIVSA-N 0 1 235.346 3.410 20 0 BGADMN CC[C@@H](F)CN1CCc2cccc(C)c2C1 ZINC000440528621 397931083 /nfs/dbraw/zinc/93/10/83/397931083.db2.gz FBTQLZAUDFBMIP-CYBMUJFWSA-N 0 1 221.319 3.101 20 0 BGADMN CC[C@H](F)CN1CCc2cccc(C)c2C1 ZINC000440528622 397931018 /nfs/dbraw/zinc/93/10/18/397931018.db2.gz FBTQLZAUDFBMIP-ZDUSSCGKSA-N 0 1 221.319 3.101 20 0 BGADMN CC[C@@H](F)CNC1(c2ccc(OC)cc2)CC1 ZINC000440594814 388059045 /nfs/dbraw/zinc/05/90/45/388059045.db2.gz GWMOJSHZVWMOPK-GFCCVEGCSA-N 0 1 237.318 3.022 20 0 BGADMN CC[C@H](F)CNC1(c2ccc(OC)cc2)CC1 ZINC000440594815 388059113 /nfs/dbraw/zinc/05/91/13/388059113.db2.gz GWMOJSHZVWMOPK-LBPRGKRZSA-N 0 1 237.318 3.022 20 0 BGADMN CC[C@@H](F)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000440601554 388060614 /nfs/dbraw/zinc/06/06/14/388060614.db2.gz VCMDHDXDGFVJHY-GXSJLCMTSA-N 0 1 243.297 3.233 20 0 BGADMN CC[C@H](F)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000440601556 388060636 /nfs/dbraw/zinc/06/06/36/388060636.db2.gz VCMDHDXDGFVJHY-KOLCDFICSA-N 0 1 243.297 3.233 20 0 BGADMN CC[C@@H](F)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000440601558 388060460 /nfs/dbraw/zinc/06/04/60/388060460.db2.gz VCMDHDXDGFVJHY-MWLCHTKSSA-N 0 1 243.297 3.233 20 0 BGADMN CC[C@H](F)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000440601559 388061112 /nfs/dbraw/zinc/06/11/12/388061112.db2.gz VCMDHDXDGFVJHY-ONGXEEELSA-N 0 1 243.297 3.233 20 0 BGADMN CCOc1ccc(CN(C)C[C@H](F)CC)cc1 ZINC000440689904 386078443 /nfs/dbraw/zinc/07/84/43/386078443.db2.gz CSOATZAAUAHFEE-CYBMUJFWSA-N 0 1 239.334 3.265 20 0 BGADMN CCOc1ccc(CN(C)C[C@@H](F)CC)cc1 ZINC000440689905 386079985 /nfs/dbraw/zinc/07/99/85/386079985.db2.gz CSOATZAAUAHFEE-ZDUSSCGKSA-N 0 1 239.334 3.265 20 0 BGADMN CC[C@@H](F)CN(C)CCOc1ccc(C)cc1 ZINC000440691052 388067514 /nfs/dbraw/zinc/06/75/14/388067514.db2.gz HSMNZFGWMIWNTR-CYBMUJFWSA-N 0 1 239.334 3.054 20 0 BGADMN CC[C@H](F)CN(C)CCOc1ccc(C)cc1 ZINC000440691053 388067542 /nfs/dbraw/zinc/06/75/42/388067542.db2.gz HSMNZFGWMIWNTR-ZDUSSCGKSA-N 0 1 239.334 3.054 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccccc1C ZINC000440693900 388067173 /nfs/dbraw/zinc/06/71/73/388067173.db2.gz NNONJTQDHBJXIA-CYBMUJFWSA-N 0 1 209.308 3.175 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccccc1C ZINC000440693902 388066429 /nfs/dbraw/zinc/06/64/29/388066429.db2.gz NNONJTQDHBJXIA-ZDUSSCGKSA-N 0 1 209.308 3.175 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccc(C)cc1 ZINC000440694406 388066663 /nfs/dbraw/zinc/06/66/63/388066663.db2.gz OMEMJPQRLBDPAR-CYBMUJFWSA-N 0 1 209.308 3.175 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccc(C)cc1 ZINC000440694407 388068411 /nfs/dbraw/zinc/06/84/11/388068411.db2.gz OMEMJPQRLBDPAR-ZDUSSCGKSA-N 0 1 209.308 3.175 20 0 BGADMN CC[C@H](F)CN(CC)Cc1cccs1 ZINC000440698309 388069565 /nfs/dbraw/zinc/06/95/65/388069565.db2.gz OIQYICHVTUQAJN-JTQLQIEISA-N 0 1 215.337 3.318 20 0 BGADMN CC[C@@H](F)CN(CC)Cc1cccs1 ZINC000440698310 206079785 /nfs/dbraw/zinc/07/97/85/206079785.db2.gz OIQYICHVTUQAJN-SNVBAGLBSA-N 0 1 215.337 3.318 20 0 BGADMN CCc1ccc(CN(C)C[C@@H](F)CC)cc1 ZINC000440698455 388069926 /nfs/dbraw/zinc/06/99/26/388069926.db2.gz YVZSTNJUBJPHHA-AWEZNQCLSA-N 0 1 223.335 3.429 20 0 BGADMN CCc1ccc(CN(C)C[C@H](F)CC)cc1 ZINC000440698456 388069640 /nfs/dbraw/zinc/06/96/40/388069640.db2.gz YVZSTNJUBJPHHA-CQSZACIVSA-N 0 1 223.335 3.429 20 0 BGADMN CC[C@H](F)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000440698459 388069703 /nfs/dbraw/zinc/06/97/03/388069703.db2.gz YXBNXTGBPBIJKP-AWEZNQCLSA-N 0 1 249.329 3.229 20 0 BGADMN CC[C@@H](F)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000440698461 206080574 /nfs/dbraw/zinc/08/05/74/206080574.db2.gz YXBNXTGBPBIJKP-CQSZACIVSA-N 0 1 249.329 3.229 20 0 BGADMN CC[C@@H](F)CN1CCC(c2nccs2)CC1 ZINC000440698876 206079898 /nfs/dbraw/zinc/07/98/98/206079898.db2.gz AFCACEJYGGKZKC-LLVKDONJSA-N 0 1 242.363 3.071 20 0 BGADMN CC[C@H](F)CN1CCC(c2nccs2)CC1 ZINC000440698877 388068198 /nfs/dbraw/zinc/06/81/98/388068198.db2.gz AFCACEJYGGKZKC-NSHDSACASA-N 0 1 242.363 3.071 20 0 BGADMN CC[C@@H](F)CN(C)CCOc1ccccc1C ZINC000440700468 388069512 /nfs/dbraw/zinc/06/95/12/388069512.db2.gz GLGFURATSHZPMF-CYBMUJFWSA-N 0 1 239.334 3.054 20 0 BGADMN CC[C@H](F)CN(C)CCOc1ccccc1C ZINC000440700472 388068495 /nfs/dbraw/zinc/06/84/95/388068495.db2.gz GLGFURATSHZPMF-ZDUSSCGKSA-N 0 1 239.334 3.054 20 0 BGADMN CC[C@@H](F)CN1CCC[C@@H](c2nccs2)C1 ZINC000440700648 388069826 /nfs/dbraw/zinc/06/98/26/388069826.db2.gz YDDXGBLARYLDDN-GHMZBOCLSA-N 0 1 242.363 3.071 20 0 BGADMN CC[C@H](F)CN1CCC[C@@H](c2nccs2)C1 ZINC000440700649 388069336 /nfs/dbraw/zinc/06/93/36/388069336.db2.gz YDDXGBLARYLDDN-MNOVXSKESA-N 0 1 242.363 3.071 20 0 BGADMN CC[C@H](F)CN1CCC[C@H](c2nccs2)C1 ZINC000440700651 388068912 /nfs/dbraw/zinc/06/89/12/388068912.db2.gz YDDXGBLARYLDDN-QWRGUYRKSA-N 0 1 242.363 3.071 20 0 BGADMN CC[C@@H](F)CN1CCC[C@H](c2nccs2)C1 ZINC000440700653 388069380 /nfs/dbraw/zinc/06/93/80/388069380.db2.gz YDDXGBLARYLDDN-WDEREUQCSA-N 0 1 242.363 3.071 20 0 BGADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccco1 ZINC000440700728 388071431 /nfs/dbraw/zinc/07/14/31/388071431.db2.gz YLNQXQJQEYODOZ-GHMZBOCLSA-N 0 1 211.280 3.165 20 0 BGADMN CC[C@@H](F)CN1CCC[C@H]1c1ccco1 ZINC000440700730 388071043 /nfs/dbraw/zinc/07/10/43/388071043.db2.gz YLNQXQJQEYODOZ-MNOVXSKESA-N 0 1 211.280 3.165 20 0 BGADMN CC[C@H](F)CN1CCC[C@H]1c1ccco1 ZINC000440700731 388071251 /nfs/dbraw/zinc/07/12/51/388071251.db2.gz YLNQXQJQEYODOZ-QWRGUYRKSA-N 0 1 211.280 3.165 20 0 BGADMN CC[C@H](F)CN1CCC[C@@H]1c1ccco1 ZINC000440700733 388070195 /nfs/dbraw/zinc/07/01/95/388070195.db2.gz YLNQXQJQEYODOZ-WDEREUQCSA-N 0 1 211.280 3.165 20 0 BGADMN CC[C@@H](F)CN(C)[C@H](C)c1cccs1 ZINC000440701714 388071637 /nfs/dbraw/zinc/07/16/37/388071637.db2.gz LXGZMNFLVCHIEL-NXEZZACHSA-N 0 1 215.337 3.489 20 0 BGADMN CC[C@H](F)CN(C)[C@@H](C)c1cccs1 ZINC000440701715 388070944 /nfs/dbraw/zinc/07/09/44/388070944.db2.gz LXGZMNFLVCHIEL-UWVGGRQHSA-N 0 1 215.337 3.489 20 0 BGADMN CC[C@@H](F)CN(C)[C@@H](C)c1cccs1 ZINC000440701716 388065048 /nfs/dbraw/zinc/06/50/48/388065048.db2.gz LXGZMNFLVCHIEL-VHSXEESVSA-N 0 1 215.337 3.489 20 0 BGADMN CC[C@H](F)CN(C)[C@H](C)c1cccs1 ZINC000440701717 388065817 /nfs/dbraw/zinc/06/58/17/388065817.db2.gz LXGZMNFLVCHIEL-ZJUUUORDSA-N 0 1 215.337 3.489 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccc(F)cc1 ZINC000440703228 386089615 /nfs/dbraw/zinc/08/96/15/386089615.db2.gz QOJBDWNLCNNEGE-LLVKDONJSA-N 0 1 213.271 3.006 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccc(F)cc1 ZINC000440703229 386088360 /nfs/dbraw/zinc/08/83/60/386088360.db2.gz QOJBDWNLCNNEGE-NSHDSACASA-N 0 1 213.271 3.006 20 0 BGADMN CC[C@@H](F)CN1CCC[C@H]1c1ccc(C)o1 ZINC000440703608 388071286 /nfs/dbraw/zinc/07/12/86/388071286.db2.gz RRBJETWGSVOTFV-NEPJUHHUSA-N 0 1 225.307 3.473 20 0 BGADMN CC[C@H](F)CN1CCC[C@@H]1c1ccc(C)o1 ZINC000440703610 388071470 /nfs/dbraw/zinc/07/14/70/388071470.db2.gz RRBJETWGSVOTFV-NWDGAFQWSA-N 0 1 225.307 3.473 20 0 BGADMN CC[C@H](F)CN1CCC[C@H]1c1ccc(C)o1 ZINC000440703611 388071881 /nfs/dbraw/zinc/07/18/81/388071881.db2.gz RRBJETWGSVOTFV-RYUDHWBXSA-N 0 1 225.307 3.473 20 0 BGADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccc(C)o1 ZINC000440703612 388071494 /nfs/dbraw/zinc/07/14/94/388071494.db2.gz RRBJETWGSVOTFV-VXGBXAGGSA-N 0 1 225.307 3.473 20 0 BGADMN CC[C@@H](F)CN(Cc1ccccc1)C1CC1 ZINC000440704240 206079712 /nfs/dbraw/zinc/07/97/12/206079712.db2.gz LBEKBKOPYVJSIJ-CYBMUJFWSA-N 0 1 221.319 3.399 20 0 BGADMN CC[C@H](F)CN(Cc1ccccc1)C1CC1 ZINC000440704242 201504059 /nfs/dbraw/zinc/50/40/59/201504059.db2.gz LBEKBKOPYVJSIJ-ZDUSSCGKSA-N 0 1 221.319 3.399 20 0 BGADMN CC[C@@H](F)CN(C)CCOc1cccc(C)c1 ZINC000440705182 387674013 /nfs/dbraw/zinc/67/40/13/387674013.db2.gz OZMDTHYYEIGOOK-CYBMUJFWSA-N 0 1 239.334 3.054 20 0 BGADMN CC[C@H](F)CN(C)CCOc1cccc(C)c1 ZINC000440705183 387673787 /nfs/dbraw/zinc/67/37/87/387673787.db2.gz OZMDTHYYEIGOOK-ZDUSSCGKSA-N 0 1 239.334 3.054 20 0 BGADMN CC[C@@H](F)CN1CCc2sccc2[C@H]1C ZINC000440705706 387674884 /nfs/dbraw/zinc/67/48/84/387674884.db2.gz QGANQEODMGTYHH-NXEZZACHSA-N 0 1 227.348 3.415 20 0 BGADMN CC[C@H](F)CN1CCc2sccc2[C@@H]1C ZINC000440705707 387674115 /nfs/dbraw/zinc/67/41/15/387674115.db2.gz QGANQEODMGTYHH-UWVGGRQHSA-N 0 1 227.348 3.415 20 0 BGADMN CC[C@@H](F)CN1CCc2sccc2[C@@H]1C ZINC000440705908 387675004 /nfs/dbraw/zinc/67/50/04/387675004.db2.gz QGANQEODMGTYHH-VHSXEESVSA-N 0 1 227.348 3.415 20 0 BGADMN CC[C@H](F)CN1CCc2sccc2[C@H]1C ZINC000440705909 387675518 /nfs/dbraw/zinc/67/55/18/387675518.db2.gz QGANQEODMGTYHH-ZJUUUORDSA-N 0 1 227.348 3.415 20 0 BGADMN CC[C@H](F)CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000440706782 387675585 /nfs/dbraw/zinc/67/55/85/387675585.db2.gz VPUSOWMAKKHURE-AAEUAGOBSA-N 0 1 239.334 3.436 20 0 BGADMN CC[C@@H](F)CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000440706783 387675381 /nfs/dbraw/zinc/67/53/81/387675381.db2.gz VPUSOWMAKKHURE-DGCLKSJQSA-N 0 1 239.334 3.436 20 0 BGADMN CC[C@@H](F)CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000440706784 387674049 /nfs/dbraw/zinc/67/40/49/387674049.db2.gz VPUSOWMAKKHURE-WCQYABFASA-N 0 1 239.334 3.436 20 0 BGADMN CC[C@H](F)CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000440706785 387674290 /nfs/dbraw/zinc/67/42/90/387674290.db2.gz VPUSOWMAKKHURE-YPMHNXCESA-N 0 1 239.334 3.436 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccc(C)s1 ZINC000440707055 387675925 /nfs/dbraw/zinc/67/59/25/387675925.db2.gz WKCAHBXUQOEPAG-JTQLQIEISA-N 0 1 215.337 3.236 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccc(C)s1 ZINC000440707056 387674236 /nfs/dbraw/zinc/67/42/36/387674236.db2.gz WKCAHBXUQOEPAG-SNVBAGLBSA-N 0 1 215.337 3.236 20 0 BGADMN CC[C@@H](F)CN(C)Cc1ccc(OC)c(C)c1 ZINC000440707395 387675075 /nfs/dbraw/zinc/67/50/75/387675075.db2.gz YATVHFOTNBVSND-CYBMUJFWSA-N 0 1 239.334 3.184 20 0 BGADMN CC[C@H](F)CN(C)Cc1ccc(OC)c(C)c1 ZINC000440707397 387673912 /nfs/dbraw/zinc/67/39/12/387673912.db2.gz YATVHFOTNBVSND-ZDUSSCGKSA-N 0 1 239.334 3.184 20 0 BGADMN CC[C@@H](F)CN(Cc1ccco1)C(C)C ZINC000440708262 387674131 /nfs/dbraw/zinc/67/41/31/387674131.db2.gz CDJKBGQHFROEIA-LLVKDONJSA-N 0 1 213.296 3.238 20 0 BGADMN CC[C@H](F)CN(Cc1ccco1)C(C)C ZINC000440708263 387675898 /nfs/dbraw/zinc/67/58/98/387675898.db2.gz CDJKBGQHFROEIA-NSHDSACASA-N 0 1 213.296 3.238 20 0 BGADMN CC[C@H](F)CN(C)Cc1sccc1C ZINC000440709218 387677701 /nfs/dbraw/zinc/67/77/01/387677701.db2.gz BDTYUWZTIDJTSW-JTQLQIEISA-N 0 1 215.337 3.236 20 0 BGADMN CC[C@@H](F)CN(C)Cc1sccc1C ZINC000440709221 387677265 /nfs/dbraw/zinc/67/72/65/387677265.db2.gz BDTYUWZTIDJTSW-SNVBAGLBSA-N 0 1 215.337 3.236 20 0 BGADMN CC[C@H](F)CN(Cc1cccs1)C1CC1 ZINC000440710441 387676915 /nfs/dbraw/zinc/67/69/15/387676915.db2.gz BQCODHCZIRAJCY-JTQLQIEISA-N 0 1 227.348 3.461 20 0 BGADMN CC[C@@H](F)CN(Cc1cccs1)C1CC1 ZINC000440710442 387677081 /nfs/dbraw/zinc/67/70/81/387677081.db2.gz BQCODHCZIRAJCY-SNVBAGLBSA-N 0 1 227.348 3.461 20 0 BGADMN CC[C@@H](F)CN(CC)Cc1cccc(F)c1 ZINC000440712162 323169672 /nfs/dbraw/zinc/16/96/72/323169672.db2.gz KNDFTOCKZNIWEQ-GFCCVEGCSA-N 0 1 227.298 3.396 20 0 BGADMN CC[C@H](F)CN(CC)Cc1cccc(F)c1 ZINC000440712163 323169664 /nfs/dbraw/zinc/16/96/64/323169664.db2.gz KNDFTOCKZNIWEQ-LBPRGKRZSA-N 0 1 227.298 3.396 20 0 BGADMN CC[C@@H](F)CN(CC)Cc1ccc(OC)cc1 ZINC000440713262 387680148 /nfs/dbraw/zinc/68/01/48/387680148.db2.gz RKDORCQMHVCLCG-CYBMUJFWSA-N 0 1 239.334 3.265 20 0 BGADMN CC[C@H](F)CN(CC)Cc1ccc(OC)cc1 ZINC000440713266 387682201 /nfs/dbraw/zinc/68/22/01/387682201.db2.gz RKDORCQMHVCLCG-ZDUSSCGKSA-N 0 1 239.334 3.265 20 0 BGADMN CC[C@@H](F)CN(C)Cc1cccc(C)c1 ZINC000440717215 386111654 /nfs/dbraw/zinc/11/16/54/386111654.db2.gz WRHVIZAUDYROTR-CYBMUJFWSA-N 0 1 209.308 3.175 20 0 BGADMN CC[C@H](F)CN(C)Cc1cccc(C)c1 ZINC000440717218 386111532 /nfs/dbraw/zinc/11/15/32/386111532.db2.gz WRHVIZAUDYROTR-ZDUSSCGKSA-N 0 1 209.308 3.175 20 0 BGADMN CC[C@H](F)CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000440760797 387685934 /nfs/dbraw/zinc/68/59/34/387685934.db2.gz DZBJEBMRJCFDAC-FPMFFAJLSA-N 0 1 221.319 3.428 20 0 BGADMN CC[C@H](F)CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000440760798 387687506 /nfs/dbraw/zinc/68/75/06/387687506.db2.gz DZBJEBMRJCFDAC-KWCYVHTRSA-N 0 1 221.319 3.428 20 0 BGADMN CC[C@H](F)CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000440760800 387687481 /nfs/dbraw/zinc/68/74/81/387687481.db2.gz DZBJEBMRJCFDAC-UBHSHLNASA-N 0 1 221.319 3.428 20 0 BGADMN CC[C@H](F)CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000440760802 387685690 /nfs/dbraw/zinc/68/56/90/387685690.db2.gz DZBJEBMRJCFDAC-XBFCOCLRSA-N 0 1 221.319 3.428 20 0 BGADMN CC[C@@H](F)CNC(C)(C)c1ccccc1OC ZINC000440763673 387686770 /nfs/dbraw/zinc/68/67/70/387686770.db2.gz KMSVGTUBYGCTLX-LLVKDONJSA-N 0 1 239.334 3.268 20 0 BGADMN CC[C@H](F)CNC(C)(C)c1ccccc1OC ZINC000440763675 387687285 /nfs/dbraw/zinc/68/72/85/387687285.db2.gz KMSVGTUBYGCTLX-NSHDSACASA-N 0 1 239.334 3.268 20 0 BGADMN CC[C@@H](F)CN1CCC(C(F)(F)F)CC1 ZINC000440764059 387686819 /nfs/dbraw/zinc/68/68/19/387686819.db2.gz KZXNLJVNJGQESZ-SECBINFHSA-N 0 1 227.245 3.009 20 0 BGADMN CC[C@H](F)CN1CCC(C(F)(F)F)CC1 ZINC000440764062 387685945 /nfs/dbraw/zinc/68/59/45/387685945.db2.gz KZXNLJVNJGQESZ-VIFPVBQESA-N 0 1 227.245 3.009 20 0 BGADMN CC[C@@H](F)CN1CCC(OC(C)(C)C)CC1 ZINC000440765160 387686032 /nfs/dbraw/zinc/68/60/32/387686032.db2.gz NZBARZJYZOJWCJ-LLVKDONJSA-N 0 1 231.355 3.014 20 0 BGADMN CC[C@H](F)CN1CCC(OC(C)(C)C)CC1 ZINC000440765161 387686756 /nfs/dbraw/zinc/68/67/56/387686756.db2.gz NZBARZJYZOJWCJ-NSHDSACASA-N 0 1 231.355 3.014 20 0 BGADMN CC[C@@H](F)CN1CC[C@@H]1c1ccccc1 ZINC000440768557 387689143 /nfs/dbraw/zinc/68/91/43/387689143.db2.gz XLLQANXEHJWADO-CHWSQXEVSA-N 0 1 207.292 3.182 20 0 BGADMN CC[C@@H](F)CN1CC[C@H]1c1ccccc1 ZINC000440768559 387690892 /nfs/dbraw/zinc/69/08/92/387690892.db2.gz XLLQANXEHJWADO-OLZOCXBDSA-N 0 1 207.292 3.182 20 0 BGADMN CC[C@H](F)CN1CC[C@@H]1c1ccccc1 ZINC000440768560 387690941 /nfs/dbraw/zinc/69/09/41/387690941.db2.gz XLLQANXEHJWADO-QWHCGFSZSA-N 0 1 207.292 3.182 20 0 BGADMN CC[C@H](F)CN1CC[C@H]1c1ccccc1 ZINC000440768561 387690719 /nfs/dbraw/zinc/69/07/19/387690719.db2.gz XLLQANXEHJWADO-STQMWFEESA-N 0 1 207.292 3.182 20 0 BGADMN CC[C@@H](F)CN(CCc1nccs1)C(C)C ZINC000440770502 387689837 /nfs/dbraw/zinc/68/98/37/387689837.db2.gz MIGAYBISFVFJMA-LLVKDONJSA-N 0 1 244.379 3.144 20 0 BGADMN CC[C@H](F)CN(CCc1nccs1)C(C)C ZINC000440770504 387688309 /nfs/dbraw/zinc/68/83/09/387688309.db2.gz MIGAYBISFVFJMA-NSHDSACASA-N 0 1 244.379 3.144 20 0 BGADMN CC[C@@H](F)CN(Cc1cccnc1)C(C)C ZINC000440771987 387690974 /nfs/dbraw/zinc/69/09/74/387690974.db2.gz SZWJSQSZYYVWDV-CYBMUJFWSA-N 0 1 224.323 3.040 20 0 BGADMN CC[C@H](F)CN(Cc1cccnc1)C(C)C ZINC000440771994 387689554 /nfs/dbraw/zinc/68/95/54/387689554.db2.gz SZWJSQSZYYVWDV-ZDUSSCGKSA-N 0 1 224.323 3.040 20 0 BGADMN CC[C@H](F)CN[C@H](C)c1cc(C)ccc1OC ZINC000440774595 387692236 /nfs/dbraw/zinc/69/22/36/387692236.db2.gz NRYILVWICNDDAG-NEPJUHHUSA-N 0 1 239.334 3.402 20 0 BGADMN CC[C@@H](F)CN[C@@H](C)c1cc(C)ccc1OC ZINC000440774597 387693689 /nfs/dbraw/zinc/69/36/89/387693689.db2.gz NRYILVWICNDDAG-NWDGAFQWSA-N 0 1 239.334 3.402 20 0 BGADMN CC[C@H](F)CN[C@@H](C)c1cc(C)ccc1OC ZINC000440774599 387694672 /nfs/dbraw/zinc/69/46/72/387694672.db2.gz NRYILVWICNDDAG-RYUDHWBXSA-N 0 1 239.334 3.402 20 0 BGADMN CC[C@@H](F)CN[C@H](C)c1cc(C)ccc1OC ZINC000440774601 201518474 /nfs/dbraw/zinc/51/84/74/201518474.db2.gz NRYILVWICNDDAG-VXGBXAGGSA-N 0 1 239.334 3.402 20 0 BGADMN CC[C@H](F)CN(CCC(F)(F)F)CC1CC1 ZINC000440780394 387696556 /nfs/dbraw/zinc/69/65/56/387696556.db2.gz PYMICEIZFGXGIZ-JTQLQIEISA-N 0 1 241.272 3.399 20 0 BGADMN CC[C@@H](F)CN(CCC(F)(F)F)CC1CC1 ZINC000440780396 387697051 /nfs/dbraw/zinc/69/70/51/387697051.db2.gz PYMICEIZFGXGIZ-SNVBAGLBSA-N 0 1 241.272 3.399 20 0 BGADMN CC[C@H](F)CN1CC[C@H]1Cc1ccccc1 ZINC000440782299 386150293 /nfs/dbraw/zinc/15/02/93/386150293.db2.gz JVTVGKKPZVCRLK-KBPBESRZSA-N 0 1 221.319 3.052 20 0 BGADMN CC[C@@H](F)CN1CC[C@H]1Cc1ccccc1 ZINC000440782302 386150447 /nfs/dbraw/zinc/15/04/47/386150447.db2.gz JVTVGKKPZVCRLK-KGLIPLIRSA-N 0 1 221.319 3.052 20 0 BGADMN CC[C@H](F)CN1CC[C@@H]1Cc1ccccc1 ZINC000440782322 386152381 /nfs/dbraw/zinc/15/23/81/386152381.db2.gz JVTVGKKPZVCRLK-UONOGXRCSA-N 0 1 221.319 3.052 20 0 BGADMN CC[C@@H](F)CN1CC[C@@H]1Cc1ccccc1 ZINC000440782325 386151082 /nfs/dbraw/zinc/15/10/82/386151082.db2.gz JVTVGKKPZVCRLK-ZIAGYGMSSA-N 0 1 221.319 3.052 20 0 BGADMN CCOc1ccccc1[C@@H](C)NC[C@@H](F)CC ZINC000440782845 386150597 /nfs/dbraw/zinc/15/05/97/386150597.db2.gz OWFXPXUSGMFQHG-NEPJUHHUSA-N 0 1 239.334 3.484 20 0 BGADMN CCOc1ccccc1[C@H](C)NC[C@H](F)CC ZINC000440782846 386152237 /nfs/dbraw/zinc/15/22/37/386152237.db2.gz OWFXPXUSGMFQHG-NWDGAFQWSA-N 0 1 239.334 3.484 20 0 BGADMN CCOc1ccccc1[C@H](C)NC[C@@H](F)CC ZINC000440782847 386151968 /nfs/dbraw/zinc/15/19/68/386151968.db2.gz OWFXPXUSGMFQHG-RYUDHWBXSA-N 0 1 239.334 3.484 20 0 BGADMN CCOc1ccccc1[C@@H](C)NC[C@H](F)CC ZINC000440782848 191701675 /nfs/dbraw/zinc/70/16/75/191701675.db2.gz OWFXPXUSGMFQHG-VXGBXAGGSA-N 0 1 239.334 3.484 20 0 BGADMN CC[C@@H](F)CN(C)[C@H](CC)c1ccncc1 ZINC000440783559 387695135 /nfs/dbraw/zinc/69/51/35/387695135.db2.gz LKMWBEQICFHUSE-CHWSQXEVSA-N 0 1 224.323 3.213 20 0 BGADMN CC[C@@H](F)CN(C)[C@@H](CC)c1ccncc1 ZINC000440783561 387688349 /nfs/dbraw/zinc/68/83/49/387688349.db2.gz LKMWBEQICFHUSE-OLZOCXBDSA-N 0 1 224.323 3.213 20 0 BGADMN CC[C@H](c1ccncc1)N(C)C[C@@H](F)CC ZINC000440783563 387694779 /nfs/dbraw/zinc/69/47/79/387694779.db2.gz LKMWBEQICFHUSE-QWHCGFSZSA-N 0 1 224.323 3.213 20 0 BGADMN CC[C@H](F)CN(C)[C@@H](CC)c1ccncc1 ZINC000440783565 387693340 /nfs/dbraw/zinc/69/33/40/387693340.db2.gz LKMWBEQICFHUSE-STQMWFEESA-N 0 1 224.323 3.213 20 0 BGADMN CC[C@@H](F)CN[C@@H](c1ncccc1C)C(C)C ZINC000440784447 387695842 /nfs/dbraw/zinc/69/58/42/387695842.db2.gz IBJVJAUEIWGWJA-CHWSQXEVSA-N 0 1 238.350 3.425 20 0 BGADMN CC[C@@H](F)CN[C@H](c1ncccc1C)C(C)C ZINC000440784448 387697174 /nfs/dbraw/zinc/69/71/74/387697174.db2.gz IBJVJAUEIWGWJA-OLZOCXBDSA-N 0 1 238.350 3.425 20 0 BGADMN CC[C@H](F)CN[C@@H](c1ncccc1C)C(C)C ZINC000440784449 387697039 /nfs/dbraw/zinc/69/70/39/387697039.db2.gz IBJVJAUEIWGWJA-QWHCGFSZSA-N 0 1 238.350 3.425 20 0 BGADMN CC[C@H](F)CN[C@H](c1ncccc1C)C(C)C ZINC000440784450 387695325 /nfs/dbraw/zinc/69/53/25/387695325.db2.gz IBJVJAUEIWGWJA-STQMWFEESA-N 0 1 238.350 3.425 20 0 BGADMN CC[C@@H](F)CN(C)[C@@H](C)c1cccc(O)c1 ZINC000440786797 387699289 /nfs/dbraw/zinc/69/92/89/387699289.db2.gz UCNJGCYTVANDEM-CMPLNLGQSA-N 0 1 225.307 3.133 20 0 BGADMN CC[C@H](F)CN(C)[C@@H](C)c1cccc(O)c1 ZINC000440786798 387700543 /nfs/dbraw/zinc/70/05/43/387700543.db2.gz UCNJGCYTVANDEM-JQWIXIFHSA-N 0 1 225.307 3.133 20 0 BGADMN CC[C@H](F)CN(C)[C@H](C)c1cccc(O)c1 ZINC000440786799 387698129 /nfs/dbraw/zinc/69/81/29/387698129.db2.gz UCNJGCYTVANDEM-PWSUYJOCSA-N 0 1 225.307 3.133 20 0 BGADMN CC[C@@H](F)CN(C)[C@H](C)c1cccc(O)c1 ZINC000440786800 387699899 /nfs/dbraw/zinc/69/98/99/387699899.db2.gz UCNJGCYTVANDEM-ZYHUDNBSSA-N 0 1 225.307 3.133 20 0 BGADMN CC[C@H](F)CN1CCCC[C@@H]1c1cccn1C ZINC000440788604 387699519 /nfs/dbraw/zinc/69/95/19/387699519.db2.gz WKZJPURYWSRWGB-GXTWGEPZSA-N 0 1 238.350 3.300 20 0 BGADMN CC[C@H](F)CN1CCCC[C@H]1c1cccn1C ZINC000440788605 387700511 /nfs/dbraw/zinc/70/05/11/387700511.db2.gz WKZJPURYWSRWGB-JSGCOSHPSA-N 0 1 238.350 3.300 20 0 BGADMN CC[C@@H](F)CN1CCCC[C@H]1c1cccn1C ZINC000440788606 386150666 /nfs/dbraw/zinc/15/06/66/386150666.db2.gz WKZJPURYWSRWGB-OCCSQVGLSA-N 0 1 238.350 3.300 20 0 BGADMN CC[C@@H](F)CN1CCCC[C@@H]1c1cccn1C ZINC000440788607 386150722 /nfs/dbraw/zinc/15/07/22/386150722.db2.gz WKZJPURYWSRWGB-TZMCWYRMSA-N 0 1 238.350 3.300 20 0 BGADMN Fc1ccc2c(c1)CN([C@H]1C=CCCC1)CC2 ZINC000441030619 387721295 /nfs/dbraw/zinc/72/12/95/387721295.db2.gz FZZMRXDYJSLKBL-HNNXBMFYSA-N 0 1 231.314 3.293 20 0 BGADMN Fc1ccc2c(c1)CN([C@@H]1C=CCCC1)CC2 ZINC000441030622 387723021 /nfs/dbraw/zinc/72/30/21/387723021.db2.gz FZZMRXDYJSLKBL-OAHLLOKOSA-N 0 1 231.314 3.293 20 0 BGADMN CCC(C)(C)CCN(C)Cc1cc(C)on1 ZINC000441179006 387730829 /nfs/dbraw/zinc/73/08/29/387730829.db2.gz PADJSMAKHXPWEM-UHFFFAOYSA-N 0 1 224.348 3.241 20 0 BGADMN C(CC1CCCC1)C[N@H+]1CCOCC12CCC2 ZINC000441215159 387737596 /nfs/dbraw/zinc/73/75/96/387737596.db2.gz ALSLXYXEDYSPMS-UHFFFAOYSA-N 0 1 237.387 3.212 20 0 BGADMN CCC(CC)n1ccc(CN(C)CCC2CC2)n1 ZINC000441238099 387736846 /nfs/dbraw/zinc/73/68/46/387736846.db2.gz XXZMOJXYPKJAMH-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN CN(CCC1CC1)Cc1ccn(C2CCCC2)n1 ZINC000441264969 387740523 /nfs/dbraw/zinc/74/05/23/387740523.db2.gz SPIIHQOSLFICOC-UHFFFAOYSA-N 0 1 247.386 3.230 20 0 BGADMN CCCN(CCC(C)(C)CC)CC(=O)OCC ZINC000441280769 387741183 /nfs/dbraw/zinc/74/11/83/387741183.db2.gz DVUGDKONKUGZRD-UHFFFAOYSA-N 0 1 243.391 3.088 20 0 BGADMN CCCN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441469812 387762703 /nfs/dbraw/zinc/76/27/03/387762703.db2.gz FFXZFUPFLLTSRP-GDBMZVCRSA-N 0 1 247.382 3.475 20 0 BGADMN CCCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441469832 387762822 /nfs/dbraw/zinc/76/28/22/387762822.db2.gz FFXZFUPFLLTSRP-GOEBONIOSA-N 0 1 247.382 3.475 20 0 BGADMN CCCN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441469836 387761661 /nfs/dbraw/zinc/76/16/61/387761661.db2.gz FFXZFUPFLLTSRP-HOCLYGCPSA-N 0 1 247.382 3.475 20 0 BGADMN CCCN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441469839 387761534 /nfs/dbraw/zinc/76/15/34/387761534.db2.gz FFXZFUPFLLTSRP-ZBFHGGJFSA-N 0 1 247.382 3.475 20 0 BGADMN Cc1ccsc1CN(C)Cc1cncc(C)c1 ZINC000442686245 387824068 /nfs/dbraw/zinc/82/40/68/387824068.db2.gz GYIBIVRTPKMYBT-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN CCCCN(CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442792868 387842243 /nfs/dbraw/zinc/84/22/43/387842243.db2.gz ABMUTUCOWMHXNL-UHFFFAOYSA-N 0 1 249.280 3.051 20 0 BGADMN CCC[C@@H](C)N(C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442805030 387844696 /nfs/dbraw/zinc/84/46/96/387844696.db2.gz XFEXXYXXINOYTH-MRVPVSSYSA-N 0 1 249.280 3.049 20 0 BGADMN CCC[C@H](C)N(C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442805031 387843280 /nfs/dbraw/zinc/84/32/80/387843280.db2.gz XFEXXYXXINOYTH-QMMMGPOBSA-N 0 1 249.280 3.049 20 0 BGADMN CC[C@@]1(C)CN(Cc2cc(C)cc(C)c2)CCO1 ZINC000442875537 387855113 /nfs/dbraw/zinc/85/51/13/387855113.db2.gz OYWTWPJTSRJPOZ-INIZCTEOSA-N 0 1 247.382 3.304 20 0 BGADMN CC[C@]1(C)CN(Cc2cc(C)cc(C)c2)CCO1 ZINC000442875539 387854655 /nfs/dbraw/zinc/85/46/55/387854655.db2.gz OYWTWPJTSRJPOZ-MRXNPFEDSA-N 0 1 247.382 3.304 20 0 BGADMN CCc1ccc(CN2CCO[C@@](C)(CC)C2)cc1 ZINC000442879098 387854477 /nfs/dbraw/zinc/85/44/77/387854477.db2.gz VQMGVVOUZQBVRU-INIZCTEOSA-N 0 1 247.382 3.250 20 0 BGADMN CCc1ccc(CN2CCO[C@](C)(CC)C2)cc1 ZINC000442879099 387855371 /nfs/dbraw/zinc/85/53/71/387855371.db2.gz VQMGVVOUZQBVRU-MRXNPFEDSA-N 0 1 247.382 3.250 20 0 BGADMN Cc1ccoc1CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442960505 193007790 /nfs/dbraw/zinc/00/77/90/193007790.db2.gz BNERRKKDIIENHR-CHWSQXEVSA-N 0 1 249.354 3.120 20 0 BGADMN Cc1[nH]ncc1CNc1ccc2ccoc2c1 ZINC000442992938 193009069 /nfs/dbraw/zinc/00/90/69/193009069.db2.gz OKIRQYJPLZMBFQ-UHFFFAOYSA-N 0 1 227.267 3.076 20 0 BGADMN CCc1ccccc1CCN[C@H](C)c1ccon1 ZINC000444677109 387906463 /nfs/dbraw/zinc/90/64/63/387906463.db2.gz VMXBHJFEZOBLOT-GFCCVEGCSA-N 0 1 244.338 3.130 20 0 BGADMN CCc1ccccc1CCN[C@@H](C)c1ccon1 ZINC000444677110 387905589 /nfs/dbraw/zinc/90/55/89/387905589.db2.gz VMXBHJFEZOBLOT-LBPRGKRZSA-N 0 1 244.338 3.130 20 0 BGADMN CCSCCN(C)Cc1cc(F)cc(F)c1 ZINC000444690248 385236956 /nfs/dbraw/zinc/23/69/56/385236956.db2.gz JEYKYQXEEFFTEI-UHFFFAOYSA-N 0 1 245.338 3.150 20 0 BGADMN CN(CCCF)Cc1cc(Cl)ccc1F ZINC000444692064 387911143 /nfs/dbraw/zinc/91/11/43/387911143.db2.gz AUUZYDAKMVKLTQ-UHFFFAOYSA-N 0 1 233.689 3.271 20 0 BGADMN CCSCCN(C)Cc1cc(C)ccc1F ZINC000444731802 387916348 /nfs/dbraw/zinc/91/63/48/387916348.db2.gz JJCGQWLPCZHETC-UHFFFAOYSA-N 0 1 241.375 3.319 20 0 BGADMN CC(C)[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000444750578 387918853 /nfs/dbraw/zinc/91/88/53/387918853.db2.gz GNOBTMDQKFYXQQ-CYBMUJFWSA-N 0 1 248.370 3.420 20 0 BGADMN CC(C)[C@H]1CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000444750579 387918454 /nfs/dbraw/zinc/91/84/54/387918454.db2.gz GNOBTMDQKFYXQQ-ZDUSSCGKSA-N 0 1 248.370 3.420 20 0 BGADMN CC(C)[C@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000444754908 387921575 /nfs/dbraw/zinc/92/15/75/387921575.db2.gz NEBHZKYOKBHYKU-AWEZNQCLSA-N 0 1 249.402 3.332 20 0 BGADMN CC(C)[C@@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000444754909 387921270 /nfs/dbraw/zinc/92/12/70/387921270.db2.gz NEBHZKYOKBHYKU-CQSZACIVSA-N 0 1 249.402 3.332 20 0 BGADMN CC(C)[C@H]1CCCN(Cc2nccn2C(C)C)C1 ZINC000444771657 387927956 /nfs/dbraw/zinc/92/79/56/387927956.db2.gz KHGWPFZYVCTUJH-AWEZNQCLSA-N 0 1 249.402 3.332 20 0 BGADMN CC(C)[C@@H]1CCCN(Cc2nccn2C(C)C)C1 ZINC000444771658 387928285 /nfs/dbraw/zinc/92/82/85/387928285.db2.gz KHGWPFZYVCTUJH-CQSZACIVSA-N 0 1 249.402 3.332 20 0 BGADMN Fc1cccc(F)c1CN1CCCC12CCC2 ZINC000444792262 387932441 /nfs/dbraw/zinc/93/24/41/387932441.db2.gz OYLWQGBYRMDFOZ-UHFFFAOYSA-N 0 1 237.293 3.483 20 0 BGADMN CC=C(C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000445230811 386661451 /nfs/dbraw/zinc/66/14/51/386661451.db2.gz MBRDACPVACQRRN-FPYGCLRLSA-N 0 1 240.266 3.036 20 0 BGADMN C[C@@H](O)CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000445319052 387839120 /nfs/dbraw/zinc/83/91/20/387839120.db2.gz KQLUHBKVPCHQDR-NEPJUHHUSA-N 0 1 247.338 3.197 20 0 BGADMN C[C@H](c1cc2ccccc2o1)[N@H+](C)CC[C@H](C)O ZINC000445319053 387840295 /nfs/dbraw/zinc/84/02/95/387840295.db2.gz KQLUHBKVPCHQDR-NWDGAFQWSA-N 0 1 247.338 3.197 20 0 BGADMN C[C@H](O)CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000445319054 387838784 /nfs/dbraw/zinc/83/87/84/387838784.db2.gz KQLUHBKVPCHQDR-RYUDHWBXSA-N 0 1 247.338 3.197 20 0 BGADMN C[C@@H](O)CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000445319055 387839976 /nfs/dbraw/zinc/83/99/76/387839976.db2.gz KQLUHBKVPCHQDR-VXGBXAGGSA-N 0 1 247.338 3.197 20 0 BGADMN C[C@H](c1ccco1)N(C)CCOCC1CCC1 ZINC000445426765 200856459 /nfs/dbraw/zinc/85/64/59/200856459.db2.gz LOLZUFQPJBTDMT-GFCCVEGCSA-N 0 1 237.343 3.089 20 0 BGADMN C[C@@H](c1ccco1)N(C)CCOCC1CCC1 ZINC000445426766 387403338 /nfs/dbraw/zinc/40/33/38/387403338.db2.gz LOLZUFQPJBTDMT-LBPRGKRZSA-N 0 1 237.343 3.089 20 0 BGADMN Cc1oncc1CN[C@H](C)c1c(C)cccc1C ZINC000445791616 387969096 /nfs/dbraw/zinc/96/90/96/387969096.db2.gz WLXVPLKXLKXHPN-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1oncc1CN[C@@H](C)c1c(C)cccc1C ZINC000445791617 387968058 /nfs/dbraw/zinc/96/80/58/387968058.db2.gz WLXVPLKXLKXHPN-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1oncc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000445805963 387968844 /nfs/dbraw/zinc/96/88/44/387968844.db2.gz QJCQDSZLTZDPOL-SNVBAGLBSA-N 0 1 248.301 3.281 20 0 BGADMN CCc1ccccc1CN1CCO[C@H](C(C)C)C1 ZINC000445813409 387971106 /nfs/dbraw/zinc/97/11/06/387971106.db2.gz IDJNYJLMQKAIID-INIZCTEOSA-N 0 1 247.382 3.106 20 0 BGADMN CCc1ccccc1CN1CCO[C@@H](C(C)C)C1 ZINC000445813410 387970866 /nfs/dbraw/zinc/97/08/66/387970866.db2.gz IDJNYJLMQKAIID-MRXNPFEDSA-N 0 1 247.382 3.106 20 0 BGADMN Cc1oncc1CN[C@@H](c1cccs1)C1CC1 ZINC000445821074 387972592 /nfs/dbraw/zinc/97/25/92/387972592.db2.gz JUYUBNPBYXXREF-CYBMUJFWSA-N 0 1 248.351 3.285 20 0 BGADMN Cc1oncc1CN[C@H](c1cccs1)C1CC1 ZINC000445821075 387971317 /nfs/dbraw/zinc/97/13/17/387971317.db2.gz JUYUBNPBYXXREF-ZDUSSCGKSA-N 0 1 248.351 3.285 20 0 BGADMN C[C@H](c1ccccc1)N1CCc2ncsc2C1 ZINC000445849900 387974087 /nfs/dbraw/zinc/97/40/87/387974087.db2.gz RVCIJGKVXJJMFK-LLVKDONJSA-N 0 1 244.363 3.262 20 0 BGADMN C[C@@H](c1ccccc1)N1CCc2ncsc2C1 ZINC000445849901 387975459 /nfs/dbraw/zinc/97/54/59/387975459.db2.gz RVCIJGKVXJJMFK-NSHDSACASA-N 0 1 244.363 3.262 20 0 BGADMN Cc1ccc(CSc2cn[nH]n2)c(Cl)c1 ZINC000446051368 387988242 /nfs/dbraw/zinc/98/82/42/387988242.db2.gz HYLOVUURSMMZSU-UHFFFAOYSA-N 0 1 239.731 3.059 20 0 BGADMN CC(C)n1ccnc1CN1CCCCC(C)(C)C1 ZINC000446060372 387987829 /nfs/dbraw/zinc/98/78/29/387987829.db2.gz IBJKVXYPTJWOKX-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN Cc1nc2ccc(CSc3ncco3)cc2[nH]1 ZINC000446069197 387993143 /nfs/dbraw/zinc/99/31/43/387993143.db2.gz DYHIUCHWZMMEPX-UHFFFAOYSA-N 0 1 245.307 3.152 20 0 BGADMN CC(C)n1ccc(CN2CCCCC(C)(C)C2)n1 ZINC000446070635 387991255 /nfs/dbraw/zinc/99/12/55/387991255.db2.gz ZKFVLSMHBLPEDT-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN CC/C=C\CCSCc1n[nH]c(C2CC2)n1 ZINC000446705529 388031125 /nfs/dbraw/zinc/03/11/25/388031125.db2.gz IVXGXSQQHUJYEA-ARJAWSKDSA-N 0 1 237.372 3.272 20 0 BGADMN CCC1(CC)CCN(Cc2ccn(C(C)C)n2)C1 ZINC000446728027 388032812 /nfs/dbraw/zinc/03/28/12/388032812.db2.gz ZIOQXGKWYRSVHH-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN CCC1(CC)CCN(Cc2nc(C)c(C)o2)C1 ZINC000446729000 388032869 /nfs/dbraw/zinc/03/28/69/388032869.db2.gz RAOUPDNSPISGLZ-UHFFFAOYSA-N 0 1 236.359 3.304 20 0 BGADMN CCC(CC)n1ccc(CN(C)CC(C)C)n1 ZINC000446759382 388037372 /nfs/dbraw/zinc/03/73/72/388037372.db2.gz OQAJSEVSBKLCET-UHFFFAOYSA-N 0 1 237.391 3.332 20 0 BGADMN C[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000446783199 388036693 /nfs/dbraw/zinc/03/66/93/388036693.db2.gz HRAWWYMWLMTUOJ-JTQLQIEISA-N 0 1 238.400 3.282 20 0 BGADMN C[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000446783200 388037843 /nfs/dbraw/zinc/03/78/43/388037843.db2.gz HRAWWYMWLMTUOJ-SNVBAGLBSA-N 0 1 238.400 3.282 20 0 BGADMN Clc1ccc(CN2CCCC23CCC3)o1 ZINC000446828979 388040144 /nfs/dbraw/zinc/04/01/44/388040144.db2.gz BRBJDLASRIKQQK-UHFFFAOYSA-N 0 1 225.719 3.452 20 0 BGADMN CC(C)c1ccc(CCN2CCOC[C@H]2C)cc1 ZINC000446894124 388044421 /nfs/dbraw/zinc/04/44/21/388044421.db2.gz XTPXKRFIGQQUJK-CQSZACIVSA-N 0 1 247.382 3.073 20 0 BGADMN CCC(CC)n1ccc(CN(C)CC2CCC2)n1 ZINC000447043485 388050285 /nfs/dbraw/zinc/05/02/85/388050285.db2.gz ALQYGJVIKWNLKD-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN CC(C)CCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447074802 388051560 /nfs/dbraw/zinc/05/15/60/388051560.db2.gz HTLIPVQGJOBGFA-UHFFFAOYSA-N 0 1 237.391 3.185 20 0 BGADMN Cc1ccccc1C[C@@H](C)N(C)Cc1cocn1 ZINC000447094211 388053700 /nfs/dbraw/zinc/05/37/00/388053700.db2.gz PUWUIBHEIYVILS-CYBMUJFWSA-N 0 1 244.338 3.046 20 0 BGADMN Cc1ccccc1C[C@H](C)N(C)Cc1cocn1 ZINC000447094212 388053650 /nfs/dbraw/zinc/05/36/50/388053650.db2.gz PUWUIBHEIYVILS-ZDUSSCGKSA-N 0 1 244.338 3.046 20 0 BGADMN Cc1ccc(CN(C)C2CC2)c(Cl)c1 ZINC000447127507 388055316 /nfs/dbraw/zinc/05/53/16/388055316.db2.gz DKNOVRURHOFAKL-UHFFFAOYSA-N 0 1 209.720 3.243 20 0 BGADMN COCCCN(C)Cc1ccc(C)cc1Cl ZINC000447159493 388057201 /nfs/dbraw/zinc/05/72/01/388057201.db2.gz UPSUZGONJPNDPQ-UHFFFAOYSA-N 0 1 241.762 3.117 20 0 BGADMN c1n[nH]nc1SCc1ccc(C2CCC2)cc1 ZINC000447297861 490257829 /nfs/dbraw/zinc/25/78/29/490257829.db2.gz BQSYWQPHNJPDBU-UHFFFAOYSA-N 0 1 245.351 3.365 20 0 BGADMN CSCCN(C)Cc1ccc(C)cc1Cl ZINC000447307875 388063284 /nfs/dbraw/zinc/06/32/84/388063284.db2.gz YBEFPFAQIFQNSN-UHFFFAOYSA-N 0 1 243.803 3.443 20 0 BGADMN CCN(CC)Cc1cnc(C(F)(F)F)s1 ZINC000447698038 388086757 /nfs/dbraw/zinc/08/67/57/388086757.db2.gz IZMUDXQLTFXXFX-UHFFFAOYSA-N 0 1 238.278 3.004 20 0 BGADMN C=Cn1cc(CN2CC=C(C(C)(C)C)CC2)cn1 ZINC000447727055 388088989 /nfs/dbraw/zinc/08/89/89/388088989.db2.gz HZZQCILEEPEDIJ-UHFFFAOYSA-N 0 1 245.370 3.162 20 0 BGADMN COc1cc(CN(C)Cc2ccoc2)ccc1C ZINC000447737678 388090158 /nfs/dbraw/zinc/09/01/58/388090158.db2.gz CYMCFYZSOONCLZ-UHFFFAOYSA-N 0 1 245.322 3.229 20 0 BGADMN CCCN(C)Cc1cnc(C(F)(F)F)s1 ZINC000447739545 388090136 /nfs/dbraw/zinc/09/01/36/388090136.db2.gz XZJBDBKYPMTQJM-UHFFFAOYSA-N 0 1 238.278 3.004 20 0 BGADMN C[C@H](CCN(C)Cc1cc[nH]n1)c1ccccc1 ZINC000447744256 388090099 /nfs/dbraw/zinc/09/00/99/388090099.db2.gz XHKIAFSDABWILY-CYBMUJFWSA-N 0 1 243.354 3.035 20 0 BGADMN C[C@H](CC[N@@H+](C)Cc1cc[nH]n1)c1ccccc1 ZINC000447744256 388090097 /nfs/dbraw/zinc/09/00/97/388090097.db2.gz XHKIAFSDABWILY-CYBMUJFWSA-N 0 1 243.354 3.035 20 0 BGADMN C[C@@H](CCN(C)Cc1cc[nH]n1)c1ccccc1 ZINC000447744260 388090116 /nfs/dbraw/zinc/09/01/16/388090116.db2.gz XHKIAFSDABWILY-ZDUSSCGKSA-N 0 1 243.354 3.035 20 0 BGADMN C[C@@H](CC[N@@H+](C)Cc1cc[nH]n1)c1ccccc1 ZINC000447744260 388090113 /nfs/dbraw/zinc/09/01/13/388090113.db2.gz XHKIAFSDABWILY-ZDUSSCGKSA-N 0 1 243.354 3.035 20 0 BGADMN C[C@@H](CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000447746234 388090717 /nfs/dbraw/zinc/09/07/17/388090717.db2.gz OORLNWRCXWNNSQ-AWEZNQCLSA-N 0 1 247.382 3.291 20 0 BGADMN C[C@H](CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000447746235 388090166 /nfs/dbraw/zinc/09/01/66/388090166.db2.gz OORLNWRCXWNNSQ-CQSZACIVSA-N 0 1 247.382 3.291 20 0 BGADMN COc1cc(C[N@H+]2CCC(C)(C)C2)ccc1C ZINC000447748322 388090625 /nfs/dbraw/zinc/09/06/25/388090625.db2.gz XFFBGQOQFDWIIF-UHFFFAOYSA-N 0 1 233.355 3.236 20 0 BGADMN CC(C)N(C)Cc1cnc(C(F)(F)F)s1 ZINC000447794765 388092871 /nfs/dbraw/zinc/09/28/71/388092871.db2.gz KEQBYANVWRQERC-UHFFFAOYSA-N 0 1 238.278 3.002 20 0 BGADMN COc1cc(CNCc2ccoc2C)ccc1C ZINC000447816781 388095614 /nfs/dbraw/zinc/09/56/14/388095614.db2.gz KTHFHZREQZXVBG-UHFFFAOYSA-N 0 1 245.322 3.195 20 0 BGADMN CCCCN(C)Cc1ccn(C(CC)CC)n1 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20 0 BGADMN Cc1cc(CN2CCOC(C)(C)[C@H]2C)cs1 ZINC000449029545 388132963 /nfs/dbraw/zinc/13/29/63/388132963.db2.gz OWCYSUWVFHDWIJ-LLVKDONJSA-N 0 1 239.384 3.056 20 0 BGADMN Cc1cc(CN2CCOC(C)(C)[C@@H]2C)cs1 ZINC000449029546 388132689 /nfs/dbraw/zinc/13/26/89/388132689.db2.gz OWCYSUWVFHDWIJ-NSHDSACASA-N 0 1 239.384 3.056 20 0 BGADMN CC(C)C1CCN(Cc2ccncc2F)CC1 ZINC000449031390 388133423 /nfs/dbraw/zinc/13/34/23/388133423.db2.gz UUPWNECPMCNXRO-UHFFFAOYSA-N 0 1 236.334 3.089 20 0 BGADMN CCC[C@@H]1CCCN(Cc2ccncc2F)C1 ZINC000449031755 388132914 /nfs/dbraw/zinc/13/29/14/388132914.db2.gz WCNXJBSZNGUFGC-GFCCVEGCSA-N 0 1 236.334 3.233 20 0 BGADMN CCC[C@H]1CCCN(Cc2ccncc2F)C1 ZINC000449031756 388132630 /nfs/dbraw/zinc/13/26/30/388132630.db2.gz WCNXJBSZNGUFGC-LBPRGKRZSA-N 0 1 236.334 3.233 20 0 BGADMN Cc1cc(CN(C)Cc2cccn2C)cs1 ZINC000449031859 388133032 /nfs/dbraw/zinc/13/30/32/388133032.db2.gz WTODZJKSSOYJEQ-UHFFFAOYSA-N 0 1 234.368 3.027 20 0 BGADMN C[C@@H]1[C@H](C)OCCN1Cc1cccc2ccoc21 ZINC000449032678 388132420 /nfs/dbraw/zinc/13/24/20/388132420.db2.gz ASWQOJOADUIYLV-NEPJUHHUSA-N 0 1 245.322 3.042 20 0 BGADMN C[C@H]1OCCN(Cc2cccc3ccoc32)[C@H]1C ZINC000449032679 388133319 /nfs/dbraw/zinc/13/33/19/388133319.db2.gz ASWQOJOADUIYLV-NWDGAFQWSA-N 0 1 245.322 3.042 20 0 BGADMN C[C@@H]1OCCN(Cc2cccc3ccoc32)[C@H]1C ZINC000449032682 388132469 /nfs/dbraw/zinc/13/24/69/388132469.db2.gz ASWQOJOADUIYLV-RYUDHWBXSA-N 0 1 245.322 3.042 20 0 BGADMN C[C@H]1OCCN(Cc2cccc3ccoc32)[C@@H]1C ZINC000449032685 388133444 /nfs/dbraw/zinc/13/34/44/388133444.db2.gz ASWQOJOADUIYLV-VXGBXAGGSA-N 0 1 245.322 3.042 20 0 BGADMN Cc1cccc(CN2CCSC[C@H]2C)c1F ZINC000449035456 388133710 /nfs/dbraw/zinc/13/37/10/388133710.db2.gz OIVSDGWWZHBHCX-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN Cc1cccc(C[N@@H+]2CCSC[C@H]2C)c1F ZINC000449035456 388133707 /nfs/dbraw/zinc/13/37/07/388133707.db2.gz OIVSDGWWZHBHCX-LLVKDONJSA-N 0 1 239.359 3.071 20 0 BGADMN Cc1cccc(CN2CCSC[C@@H]2C)c1F ZINC000449035457 388134308 /nfs/dbraw/zinc/13/43/08/388134308.db2.gz OIVSDGWWZHBHCX-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN Cc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1F ZINC000449035457 388134307 /nfs/dbraw/zinc/13/43/07/388134307.db2.gz OIVSDGWWZHBHCX-NSHDSACASA-N 0 1 239.359 3.071 20 0 BGADMN CC[C@@]1(C)CCCN(Cc2ccncc2F)C1 ZINC000449035782 388134374 /nfs/dbraw/zinc/13/43/74/388134374.db2.gz QDBMLGULAJAOHQ-AWEZNQCLSA-N 0 1 236.334 3.233 20 0 BGADMN CC[C@@]1(C)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000449035782 388134373 /nfs/dbraw/zinc/13/43/73/388134373.db2.gz QDBMLGULAJAOHQ-AWEZNQCLSA-N 0 1 236.334 3.233 20 0 BGADMN CC[C@]1(C)CCCN(Cc2ccncc2F)C1 ZINC000449035783 388134144 /nfs/dbraw/zinc/13/41/44/388134144.db2.gz QDBMLGULAJAOHQ-CQSZACIVSA-N 0 1 236.334 3.233 20 0 BGADMN CC[C@]1(C)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000449035783 388134141 /nfs/dbraw/zinc/13/41/41/388134141.db2.gz QDBMLGULAJAOHQ-CQSZACIVSA-N 0 1 236.334 3.233 20 0 BGADMN COc1cc(F)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000449036415 388134066 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C[C@@H]1CCN(Cc2ccncc2F)CC12CCC2 ZINC000449233522 388160476 /nfs/dbraw/zinc/16/04/76/388160476.db2.gz YYWRSOFTCHHBMH-GFCCVEGCSA-N 0 1 248.345 3.233 20 0 BGADMN C[C@H]1CCN(Cc2ccncc2F)CC12CCC2 ZINC000449233523 388160171 /nfs/dbraw/zinc/16/01/71/388160171.db2.gz YYWRSOFTCHHBMH-LBPRGKRZSA-N 0 1 248.345 3.233 20 0 BGADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000449239841 388160987 /nfs/dbraw/zinc/16/09/87/388160987.db2.gz LJFAUQIORUPUNY-GFCCVEGCSA-N 0 1 236.334 3.089 20 0 BGADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000449239842 388160953 /nfs/dbraw/zinc/16/09/53/388160953.db2.gz LJFAUQIORUPUNY-LBPRGKRZSA-N 0 1 236.334 3.089 20 0 BGADMN C[C@H]1CN(Cc2ccncc2F)CC(C)(C)C1 ZINC000449239867 384493586 /nfs/dbraw/zinc/49/35/86/384493586.db2.gz LNKJMIJDNWNGBE-LLVKDONJSA-N 0 1 236.334 3.089 20 0 BGADMN C[C@@H]1CN(Cc2ccncc2F)CC(C)(C)C1 ZINC000449239868 384494220 /nfs/dbraw/zinc/49/42/20/384494220.db2.gz LNKJMIJDNWNGBE-NSHDSACASA-N 0 1 236.334 3.089 20 0 BGADMN 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388162031 /nfs/dbraw/zinc/16/20/31/388162031.db2.gz DRHVGSSVKNLNFY-CYBMUJFWSA-N 0 1 239.384 3.057 20 0 BGADMN CC[C@@]1(C)COCCN1Cc1csc(C)c1 ZINC000449247056 388161719 /nfs/dbraw/zinc/16/17/19/388161719.db2.gz DRHVGSSVKNLNFY-ZDUSSCGKSA-N 0 1 239.384 3.057 20 0 BGADMN COc1cc(F)cc(CN2CCCC3(CC3)C2)c1 ZINC000449249399 388162692 /nfs/dbraw/zinc/16/26/92/388162692.db2.gz LZFBFKBXGLTFJB-UHFFFAOYSA-N 0 1 249.329 3.210 20 0 BGADMN Fc1cnccc1CN1CCCC2(CCCC2)C1 ZINC000449263372 397953676 /nfs/dbraw/zinc/95/36/76/397953676.db2.gz IBNUHUQVCHESSW-UHFFFAOYSA-N 0 1 248.345 3.377 20 0 BGADMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cs1 ZINC000449267249 388164876 /nfs/dbraw/zinc/16/48/76/388164876.db2.gz YWHWGUNHXGLNPX-DLOVCJGASA-N 0 1 239.384 3.054 20 0 BGADMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cs1 ZINC000449267250 388164782 /nfs/dbraw/zinc/16/47/82/388164782.db2.gz YWHWGUNHXGLNPX-MVWJERBFSA-N 0 1 239.384 3.054 20 0 BGADMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cs1 ZINC000449267251 388164899 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VBTJRHYEYJDYNU-UHFFFAOYSA-N 0 1 249.329 3.066 20 0 BGADMN COc1cc(CN[C@H](C)CF)cc2ccccc21 ZINC000449328503 388173370 /nfs/dbraw/zinc/17/33/70/388173370.db2.gz FROGZPJJGHNCSC-LLVKDONJSA-N 0 1 247.313 3.296 20 0 BGADMN COc1cc(CN[C@@H](C)CF)cc2ccccc21 ZINC000449328504 388173363 /nfs/dbraw/zinc/17/33/63/388173363.db2.gz FROGZPJJGHNCSC-NSHDSACASA-N 0 1 247.313 3.296 20 0 BGADMN CC(C)COc1ccccc1CN[C@H](C)CF ZINC000449330477 383874020 /nfs/dbraw/zinc/87/40/20/383874020.db2.gz LPACTVSQOCUELP-GFCCVEGCSA-N 0 1 239.334 3.169 20 0 BGADMN CC(C)COc1ccccc1CN[C@@H](C)CF ZINC000449330478 383873514 /nfs/dbraw/zinc/87/35/14/383873514.db2.gz LPACTVSQOCUELP-LBPRGKRZSA-N 0 1 239.334 3.169 20 0 BGADMN COc1cc2ccccc2cc1CN[C@H](C)CF ZINC000449331690 383878706 /nfs/dbraw/zinc/87/87/06/383878706.db2.gz OZPNTKSUASRVLP-LLVKDONJSA-N 0 1 247.313 3.296 20 0 BGADMN COc1cc2ccccc2cc1CN[C@@H](C)CF ZINC000449331691 383878039 /nfs/dbraw/zinc/87/80/39/383878039.db2.gz OZPNTKSUASRVLP-NSHDSACASA-N 0 1 247.313 3.296 20 0 BGADMN CC(C)[C@@H]1N(Cc2ccncc2F)CC12CCC2 ZINC000449334545 398289805 /nfs/dbraw/zinc/28/98/05/398289805.db2.gz FHMRGTABNLJIMH-AWEZNQCLSA-N 0 1 248.345 3.231 20 0 BGADMN CC(C)[C@H]1N(Cc2ccncc2F)CC12CCC2 ZINC000449334546 398289870 /nfs/dbraw/zinc/28/98/70/398289870.db2.gz FHMRGTABNLJIMH-CQSZACIVSA-N 0 1 248.345 3.231 20 0 BGADMN CCN(Cc1ccncc1F)CC(C)(C)C ZINC000449334669 388175410 /nfs/dbraw/zinc/17/54/10/388175410.db2.gz GGWZGBNOWLQIRK-UHFFFAOYSA-N 0 1 224.323 3.089 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1ccncc1F ZINC000449336404 388175309 /nfs/dbraw/zinc/17/53/09/388175309.db2.gz NDODFTDUKHSMRS-LLVKDONJSA-N 0 1 224.323 3.231 20 0 BGADMN CCCC[C@H](C)N(C)Cc1ccncc1F ZINC000449336405 388175499 /nfs/dbraw/zinc/17/54/99/388175499.db2.gz NDODFTDUKHSMRS-NSHDSACASA-N 0 1 224.323 3.231 20 0 BGADMN CC1(C2CC2)CCN(Cc2ccncc2F)CC1 ZINC000449336599 388175468 /nfs/dbraw/zinc/17/54/68/388175468.db2.gz NTGUTSFSBJRMRO-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN C[C@H]1CSC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000449337098 388175149 /nfs/dbraw/zinc/17/51/49/388175149.db2.gz QSAWFLRTQOBDDA-GWCFXTLKSA-N 0 1 248.395 3.124 20 0 BGADMN C[C@H]1CSC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000449337099 388176341 /nfs/dbraw/zinc/17/63/41/388176341.db2.gz QSAWFLRTQOBDDA-GXFFZTMASA-N 0 1 248.395 3.124 20 0 BGADMN C[C@@H]1CSC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000449337100 201871166 /nfs/dbraw/zinc/87/11/66/201871166.db2.gz QSAWFLRTQOBDDA-MFKMUULPSA-N 0 1 248.395 3.124 20 0 BGADMN C[C@@H]1CSC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000449337101 388176094 /nfs/dbraw/zinc/17/60/94/388176094.db2.gz QSAWFLRTQOBDDA-ZWNOBZJWSA-N 0 1 248.395 3.124 20 0 BGADMN CC(C)[C@H]1N(Cc2ccncc2F)CC1(C)C ZINC000449340289 398292734 /nfs/dbraw/zinc/29/27/34/398292734.db2.gz NTSGBUXZTFFMQT-CYBMUJFWSA-N 0 1 236.334 3.087 20 0 BGADMN CC(C)[C@@H]1N(Cc2ccncc2F)CC1(C)C ZINC000449340291 398292691 /nfs/dbraw/zinc/29/26/91/398292691.db2.gz NTSGBUXZTFFMQT-ZDUSSCGKSA-N 0 1 236.334 3.087 20 0 BGADMN Cc1cnc(CN2CC(C)(C)[C@H]2C(C)C)s1 ZINC000449340818 388175938 /nfs/dbraw/zinc/17/59/38/388175938.db2.gz QHKKOEZUYXGSBG-GFCCVEGCSA-N 0 1 238.400 3.318 20 0 BGADMN Cc1cnc(CN2CC(C)(C)[C@@H]2C(C)C)s1 ZINC000449340819 388176196 /nfs/dbraw/zinc/17/61/96/388176196.db2.gz QHKKOEZUYXGSBG-LBPRGKRZSA-N 0 1 238.400 3.318 20 0 BGADMN Cc1cccc(CN[C@H]2CCC[C@H]2F)c1F ZINC000449343245 388177010 /nfs/dbraw/zinc/17/70/10/388177010.db2.gz IXYICAUCUFNMLZ-NEPJUHHUSA-N 0 1 225.282 3.114 20 0 BGADMN Cc1cccc(CN[C@@H]2CCC[C@@H]2F)c1F ZINC000449343246 388177331 /nfs/dbraw/zinc/17/73/31/388177331.db2.gz IXYICAUCUFNMLZ-NWDGAFQWSA-N 0 1 225.282 3.114 20 0 BGADMN C[C@H](Cc1ccoc1)Nc1cc2c(cn1)CCC2 ZINC000449343611 388176636 /nfs/dbraw/zinc/17/66/36/388176636.db2.gz LVNWSRSOTPBYBU-LLVKDONJSA-N 0 1 242.322 3.206 20 0 BGADMN C[C@@H](Cc1ccoc1)Nc1cc2c(cn1)CCC2 ZINC000449343612 388176823 /nfs/dbraw/zinc/17/68/23/388176823.db2.gz LVNWSRSOTPBYBU-NSHDSACASA-N 0 1 242.322 3.206 20 0 BGADMN CCn1cccc1CNc1cc2c(cn1)CCC2 ZINC000449344009 388177874 /nfs/dbraw/zinc/17/78/74/388177874.db2.gz OYPRMDWBCCQWOM-UHFFFAOYSA-N 0 1 241.338 3.004 20 0 BGADMN Cc1ccc(CN2CCC[C@@](C)(F)C2)s1 ZINC000449349152 388179221 /nfs/dbraw/zinc/17/92/21/388179221.db2.gz IYMQVAAPZVKYJF-GFCCVEGCSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)s1 ZINC000449349152 388179218 /nfs/dbraw/zinc/17/92/18/388179218.db2.gz IYMQVAAPZVKYJF-GFCCVEGCSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1ccc(CN2CCC[C@](C)(F)C2)s1 ZINC000449349154 388179015 /nfs/dbraw/zinc/17/90/15/388179015.db2.gz IYMQVAAPZVKYJF-LBPRGKRZSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1ccc(C[N@H+]2CCC[C@](C)(F)C2)s1 ZINC000449349154 388179014 /nfs/dbraw/zinc/17/90/14/388179014.db2.gz IYMQVAAPZVKYJF-LBPRGKRZSA-N 0 1 227.348 3.381 20 0 BGADMN C[C@]1(F)CCCN(CCc2ccccc2F)C1 ZINC000449349508 388178521 /nfs/dbraw/zinc/17/85/21/388178521.db2.gz KAVGVCOLAAZEFU-AWEZNQCLSA-N 0 1 239.309 3.192 20 0 BGADMN C[C@]1(F)CCC[N@@H+](CCc2ccccc2F)C1 ZINC000449349508 388178519 /nfs/dbraw/zinc/17/85/19/388178519.db2.gz KAVGVCOLAAZEFU-AWEZNQCLSA-N 0 1 239.309 3.192 20 0 BGADMN C[C@@]1(F)CCCN(CCc2ccccc2F)C1 ZINC000449349509 388179254 /nfs/dbraw/zinc/17/92/54/388179254.db2.gz KAVGVCOLAAZEFU-CQSZACIVSA-N 0 1 239.309 3.192 20 0 BGADMN C[C@@]1(F)CCC[N@@H+](CCc2ccccc2F)C1 ZINC000449349509 388179251 /nfs/dbraw/zinc/17/92/51/388179251.db2.gz KAVGVCOLAAZEFU-CQSZACIVSA-N 0 1 239.309 3.192 20 0 BGADMN Cc1sccc1CN1CCC[C@@](C)(F)C1 ZINC000449350131 388179165 /nfs/dbraw/zinc/17/91/65/388179165.db2.gz LAVCNYYNAVZBQV-GFCCVEGCSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1sccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000449350131 388179162 /nfs/dbraw/zinc/17/91/62/388179162.db2.gz LAVCNYYNAVZBQV-GFCCVEGCSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1sccc1CN1CCC[C@](C)(F)C1 ZINC000449350133 388178687 /nfs/dbraw/zinc/17/86/87/388178687.db2.gz LAVCNYYNAVZBQV-LBPRGKRZSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1sccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000449350133 388178685 /nfs/dbraw/zinc/17/86/85/388178685.db2.gz LAVCNYYNAVZBQV-LBPRGKRZSA-N 0 1 227.348 3.381 20 0 BGADMN COc1ccc(CN2CCC[C@](C)(F)C2)cc1 ZINC000449350435 388178548 /nfs/dbraw/zinc/17/85/48/388178548.db2.gz LYTYJORZWGHXFG-AWEZNQCLSA-N 0 1 237.318 3.019 20 0 BGADMN COc1ccc(CN2CCC[C@@](C)(F)C2)cc1 ZINC000449350438 388178982 /nfs/dbraw/zinc/17/89/82/388178982.db2.gz LYTYJORZWGHXFG-CQSZACIVSA-N 0 1 237.318 3.019 20 0 BGADMN CC(C)N(Cc1coc2ccccc12)C1COC1 ZINC000449350950 388179302 /nfs/dbraw/zinc/17/93/02/388179302.db2.gz MGOWTMSBMQBGRN-UHFFFAOYSA-N 0 1 245.322 3.042 20 0 BGADMN CC(C)N(Cc1ccc2occc2c1)C1COC1 ZINC000449351781 388180329 /nfs/dbraw/zinc/18/03/29/388180329.db2.gz RIXKMKQBCKYNLF-UHFFFAOYSA-N 0 1 245.322 3.042 20 0 BGADMN Cc1cc(CN2CCC[C@@](C)(F)C2)cs1 ZINC000449351924 383928679 /nfs/dbraw/zinc/92/86/79/383928679.db2.gz RUCHLBFQODKPDA-GFCCVEGCSA-N 0 1 227.348 3.381 20 0 BGADMN Cc1cc(CN2CCC[C@](C)(F)C2)cs1 ZINC000449351925 383928248 /nfs/dbraw/zinc/92/82/48/383928248.db2.gz RUCHLBFQODKPDA-LBPRGKRZSA-N 0 1 227.348 3.381 20 0 BGADMN C[C@H](CCN(C1CC1)C1COC1)c1ccccc1 ZINC000449352282 388179962 /nfs/dbraw/zinc/17/99/62/388179962.db2.gz VEJRWFSQNZCUKI-CYBMUJFWSA-N 0 1 245.366 3.043 20 0 BGADMN C[C@@H](CCN(C1CC1)C1COC1)c1ccccc1 ZINC000449352283 383930894 /nfs/dbraw/zinc/93/08/94/383930894.db2.gz VEJRWFSQNZCUKI-ZDUSSCGKSA-N 0 1 245.366 3.043 20 0 BGADMN C[C@]1(F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000449352381 388179119 /nfs/dbraw/zinc/17/91/19/388179119.db2.gz UOPLVZRQSDIMIR-ZDUSSCGKSA-N 0 1 207.292 3.011 20 0 BGADMN CC(C)c1cnc(CNCCC(C)(F)F)s1 ZINC000449353728 388180113 /nfs/dbraw/zinc/18/01/13/388180113.db2.gz GAZPSVSBOWLGER-UHFFFAOYSA-N 0 1 248.342 3.401 20 0 BGADMN CCCc1csc(CNCCC(C)(F)F)n1 ZINC000449353930 388180019 /nfs/dbraw/zinc/18/00/19/388180019.db2.gz IKMFNMUCXXONIW-UHFFFAOYSA-N 0 1 248.342 3.231 20 0 BGADMN CC(F)(F)CCNCc1csc(C2CC2)n1 ZINC000449355026 383959963 /nfs/dbraw/zinc/95/99/63/383959963.db2.gz ULGMVCBIERBDMI-UHFFFAOYSA-N 0 1 246.326 3.155 20 0 BGADMN CC[C@@H](NC1CCC(C(F)F)CC1)C(F)F ZINC000449357109 388180928 /nfs/dbraw/zinc/18/09/28/388180928.db2.gz BODCGFWZIFYHHA-AMDVSUOASA-N 0 1 241.272 3.444 20 0 BGADMN CC[C@H](NC1CCC(C(F)F)CC1)C(F)F ZINC000449357114 388180612 /nfs/dbraw/zinc/18/06/12/388180612.db2.gz BODCGFWZIFYHHA-HACHORDNSA-N 0 1 241.272 3.444 20 0 BGADMN CC[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)C(F)F ZINC000449357168 388180889 /nfs/dbraw/zinc/18/08/89/388180889.db2.gz BXDVNLUQFVCLGN-GUBZILKMSA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)C(F)F ZINC000449357169 388180902 /nfs/dbraw/zinc/18/09/02/388180902.db2.gz BXDVNLUQFVCLGN-KXUCPTDWSA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)C(F)F ZINC000449357170 388180817 /nfs/dbraw/zinc/18/08/17/388180817.db2.gz BXDVNLUQFVCLGN-LPEHRKFASA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](N[C@H]1CC(C)(C)C[C@H]1C)C(F)F ZINC000449357171 388180766 /nfs/dbraw/zinc/18/07/66/388180766.db2.gz BXDVNLUQFVCLGN-UTLUCORTSA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@@H](N[C@H](C)C1CCCC1)C(F)F ZINC000449357389 388181534 /nfs/dbraw/zinc/18/15/34/388181534.db2.gz CVGXECLIMARPGF-PSASIEDQSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@H](C)C1CCCC1)C(F)F ZINC000449357390 388181474 /nfs/dbraw/zinc/18/14/74/388181474.db2.gz CVGXECLIMARPGF-SCZZXKLOSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H](N[C@@H](C)C1CCCC1)C(F)F ZINC000449357391 388181888 /nfs/dbraw/zinc/18/18/88/388181888.db2.gz CVGXECLIMARPGF-WCBMZHEXSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@@H](C)C1CCCC1)C(F)F ZINC000449357392 388181220 /nfs/dbraw/zinc/18/12/20/388181220.db2.gz CVGXECLIMARPGF-WPRPVWTQSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](NC1CCC(C)CC1)C(F)F ZINC000449357780 388181396 /nfs/dbraw/zinc/18/13/96/388181396.db2.gz DNMLYBZSPQWMDF-RTBKNWGFSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H](NC1CCC(C)CC1)C(F)F ZINC000449357781 388171914 /nfs/dbraw/zinc/17/19/14/388171914.db2.gz DNMLYBZSPQWMDF-UDNWOFFPSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H](N[C@H](C)CCC(C)C)C(F)F ZINC000449358136 388181564 /nfs/dbraw/zinc/18/15/64/388181564.db2.gz DYGVUXGWGPTQCL-NXEZZACHSA-N 0 1 207.308 3.444 20 0 BGADMN CC[C@H](N[C@@H](C)CCC(C)C)C(F)F ZINC000449358137 388181470 /nfs/dbraw/zinc/18/14/70/388181470.db2.gz DYGVUXGWGPTQCL-UWVGGRQHSA-N 0 1 207.308 3.444 20 0 BGADMN CC[C@@H](N[C@@H](C)CCC(C)C)C(F)F ZINC000449358138 388181618 /nfs/dbraw/zinc/18/16/18/388181618.db2.gz DYGVUXGWGPTQCL-VHSXEESVSA-N 0 1 207.308 3.444 20 0 BGADMN CC[C@H](N[C@H](C)CCC(C)C)C(F)F ZINC000449358139 388181636 /nfs/dbraw/zinc/18/16/36/388181636.db2.gz DYGVUXGWGPTQCL-ZJUUUORDSA-N 0 1 207.308 3.444 20 0 BGADMN CC[C@H](NCC1CCCCC1)C(F)F ZINC000449358710 388181350 /nfs/dbraw/zinc/18/13/50/388181350.db2.gz GALSPVYLHSYOJA-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@@H](NCC1CCCCC1)C(F)F ZINC000449358711 388181361 /nfs/dbraw/zinc/18/13/61/388181361.db2.gz GALSPVYLHSYOJA-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@@H](N[C@H](C)C1CCSCC1)C(F)F ZINC000449358782 383977394 /nfs/dbraw/zinc/97/73/94/383977394.db2.gz GOPZIOHFYWJGOE-PSASIEDQSA-N 0 1 237.359 3.151 20 0 BGADMN CC[C@H](N[C@H](C)C1CCSCC1)C(F)F ZINC000449358783 383976597 /nfs/dbraw/zinc/97/65/97/383976597.db2.gz GOPZIOHFYWJGOE-SCZZXKLOSA-N 0 1 237.359 3.151 20 0 BGADMN CC[C@@H](N[C@@H](C)C1CCSCC1)C(F)F ZINC000449358784 383976280 /nfs/dbraw/zinc/97/62/80/383976280.db2.gz GOPZIOHFYWJGOE-WCBMZHEXSA-N 0 1 237.359 3.151 20 0 BGADMN CC[C@H](N[C@@H](C)C1CCSCC1)C(F)F ZINC000449358785 383976685 /nfs/dbraw/zinc/97/66/85/383976685.db2.gz GOPZIOHFYWJGOE-WPRPVWTQSA-N 0 1 237.359 3.151 20 0 BGADMN CC[C@H](NC[C@@H](C)Cc1ccccc1)C(F)F ZINC000449359370 388181816 /nfs/dbraw/zinc/18/18/16/388181816.db2.gz HOUZOSKVQLYGGF-AAEUAGOBSA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@@H](NC[C@H](C)Cc1ccccc1)C(F)F ZINC000449359371 388181784 /nfs/dbraw/zinc/18/17/84/388181784.db2.gz HOUZOSKVQLYGGF-DGCLKSJQSA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@@H](NC[C@@H](C)Cc1ccccc1)C(F)F ZINC000449359372 388181539 /nfs/dbraw/zinc/18/15/39/388181539.db2.gz HOUZOSKVQLYGGF-WCQYABFASA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@H](NC[C@H](C)Cc1ccccc1)C(F)F ZINC000449359373 388181293 /nfs/dbraw/zinc/18/12/93/388181293.db2.gz HOUZOSKVQLYGGF-YPMHNXCESA-N 0 1 241.325 3.499 20 0 BGADMN CC[C@@H](N[C@H](C)CCC1CC1)C(F)F ZINC000449359780 388181452 /nfs/dbraw/zinc/18/14/52/388181452.db2.gz IAUXCCHSBISZNV-PSASIEDQSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@H](C)CCC1CC1)C(F)F ZINC000449359781 388181381 /nfs/dbraw/zinc/18/13/81/388181381.db2.gz IAUXCCHSBISZNV-SCZZXKLOSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H](N[C@@H](C)CCC1CC1)C(F)F ZINC000449359782 388181385 /nfs/dbraw/zinc/18/13/85/388181385.db2.gz IAUXCCHSBISZNV-WCBMZHEXSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@@H](C)CCC1CC1)C(F)F ZINC000449359783 388181193 /nfs/dbraw/zinc/18/11/93/388181193.db2.gz IAUXCCHSBISZNV-WPRPVWTQSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H](NC[C@@H](C)CC1CCOCC1)C(F)F ZINC000449359873 388181757 /nfs/dbraw/zinc/18/17/57/388181757.db2.gz IIJKVDCPKSJHBS-CMPLNLGQSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@H](NC[C@@H](C)CC1CCOCC1)C(F)F ZINC000449359874 388181316 /nfs/dbraw/zinc/18/13/16/388181316.db2.gz IIJKVDCPKSJHBS-JQWIXIFHSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@H](NC[C@H](C)CC1CCOCC1)C(F)F ZINC000449359875 388181251 /nfs/dbraw/zinc/18/12/51/388181251.db2.gz IIJKVDCPKSJHBS-PWSUYJOCSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@@H](NC[C@H](C)CC1CCOCC1)C(F)F ZINC000449359876 388181225 /nfs/dbraw/zinc/18/12/25/388181225.db2.gz IIJKVDCPKSJHBS-ZYHUDNBSSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@H](N[C@H]1CC[C@H]1C(C)C)C(F)F ZINC000449361500 398290956 /nfs/dbraw/zinc/29/09/56/398290956.db2.gz KTAZJQCSBIBNBN-GUBZILKMSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@@H]1C(C)C)C(F)F ZINC000449361506 398298383 /nfs/dbraw/zinc/29/83/83/398298383.db2.gz KTAZJQCSBIBNBN-KXUCPTDWSA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@H]1C(C)C)C(F)F ZINC000449361508 398290986 /nfs/dbraw/zinc/29/09/86/398290986.db2.gz KTAZJQCSBIBNBN-LPEHRKFASA-N 0 1 205.292 3.054 20 0 BGADMN CC[C@H](N[C@H]1CC[C@@H]1C(C)C)C(F)F ZINC000449361509 398291051 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BGADMN c1ccc(OCC2CC2)c(CN2CC3(CC3)C2)c1 ZINC000449370118 398291604 /nfs/dbraw/zinc/29/16/04/398291604.db2.gz INALINMGFORNBM-UHFFFAOYSA-N 0 1 243.350 3.071 20 0 BGADMN C[C@@H](CN1CC2(CC2)C1)c1cc(F)cc(F)c1 ZINC000449370627 398277205 /nfs/dbraw/zinc/27/72/05/398277205.db2.gz LHFMVRDPWAQWQC-JTQLQIEISA-N 0 1 237.293 3.164 20 0 BGADMN C[C@H](CN1CC2(CC2)C1)c1cc(F)cc(F)c1 ZINC000449370628 398292441 /nfs/dbraw/zinc/29/24/41/398292441.db2.gz LHFMVRDPWAQWQC-SNVBAGLBSA-N 0 1 237.293 3.164 20 0 BGADMN CCCCOc1ccccc1CN1CC2(CC2)C1 ZINC000449370670 398292255 /nfs/dbraw/zinc/29/22/55/398292255.db2.gz LMUQSODKTMBDEI-UHFFFAOYSA-N 0 1 245.366 3.461 20 0 BGADMN CC(C)Oc1cccc(CN2CC3(CC3)C2)c1 ZINC000449370687 398292083 /nfs/dbraw/zinc/29/20/83/398292083.db2.gz LRXSWUFJQWEASI-UHFFFAOYSA-N 0 1 231.339 3.070 20 0 BGADMN FC(F)(F)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000449371053 398292102 /nfs/dbraw/zinc/29/21/02/398292102.db2.gz PTSLORYQKWMCFZ-UHFFFAOYSA-N 0 1 241.256 3.301 20 0 BGADMN CCCCOc1ccc(CN2CC3(CC3)C2)cc1 ZINC000449371108 398292205 /nfs/dbraw/zinc/29/22/05/398292205.db2.gz QJZGRHUOZXEUBN-UHFFFAOYSA-N 0 1 245.366 3.461 20 0 BGADMN CCSc1cccc(CN2CC3(CC3)C2)c1 ZINC000449371109 398292474 /nfs/dbraw/zinc/29/24/74/398292474.db2.gz QKESKPHWKIJMIC-UHFFFAOYSA-N 0 1 233.380 3.394 20 0 BGADMN CCCOc1cccc(CN2CC3(CC3)C2)c1 ZINC000449371224 398292126 /nfs/dbraw/zinc/29/21/26/398292126.db2.gz RQOXHCJWQRDGSA-UHFFFAOYSA-N 0 1 231.339 3.071 20 0 BGADMN CC1(F)CC(NCc2csc(C3CC3)n2)C1 ZINC000449371358 388184973 /nfs/dbraw/zinc/18/49/73/388184973.db2.gz UCLDOCLKIZMWCT-UHFFFAOYSA-N 0 1 240.347 3.001 20 0 BGADMN Fc1ccc2oc(CN3CC4(CC4)C3)cc2c1 ZINC000449371462 398292211 /nfs/dbraw/zinc/29/22/11/398292211.db2.gz VCOQSRDGCYOSKD-UHFFFAOYSA-N 0 1 231.270 3.168 20 0 BGADMN CC(C)COc1ccc(CN2CC3(CC3)C2)cc1 ZINC000449371656 398292219 /nfs/dbraw/zinc/29/22/19/398292219.db2.gz XFWAKHQVTKIFCI-UHFFFAOYSA-N 0 1 245.366 3.317 20 0 BGADMN CC(C)COc1ccccc1CN1CC2(CC2)C1 ZINC000449371863 398292165 /nfs/dbraw/zinc/29/21/65/398292165.db2.gz ZKXYSNNAIIXGLT-UHFFFAOYSA-N 0 1 245.366 3.317 20 0 BGADMN CC(C)COc1cccc(CN2CC3(CC3)C2)c1 ZINC000449371904 398292343 /nfs/dbraw/zinc/29/23/43/398292343.db2.gz ZWHPBMQDWJWVFM-UHFFFAOYSA-N 0 1 245.366 3.317 20 0 BGADMN Cc1n[nH]cc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000449372015 388184738 /nfs/dbraw/zinc/18/47/38/388184738.db2.gz BFEJACDAQNYCMR-SNVBAGLBSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1cc([C@@H](C)NCc2ccccn2)ccc1F ZINC000449372643 388184653 /nfs/dbraw/zinc/18/46/53/388184653.db2.gz KDXJQBVNLUVHEN-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN CCCc1csc(CNC2CC(C)(F)C2)n1 ZINC000449376366 388187100 /nfs/dbraw/zinc/18/71/00/388187100.db2.gz MUMHOGYWCKSUBD-UHFFFAOYSA-N 0 1 242.363 3.076 20 0 BGADMN CC(C)c1cnc(CNC2CC(C)(F)C2)s1 ZINC000449376831 388187320 /nfs/dbraw/zinc/18/73/20/388187320.db2.gz PYHKDIKWEBONCQ-UHFFFAOYSA-N 0 1 242.363 3.247 20 0 BGADMN FCC(CF)NCCC1CCCCCC1 ZINC000449377501 388187140 /nfs/dbraw/zinc/18/71/40/388187140.db2.gz APOLGIRBLTXTIS-UHFFFAOYSA-N 0 1 219.319 3.244 20 0 BGADMN C[C@@H](NC(CF)CF)[C@@H]1CCCC[C@H]1C ZINC000449377525 388187432 /nfs/dbraw/zinc/18/74/32/388187432.db2.gz AVZACYUHJKFQPR-CKYFFXLPSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@@H](NC(CF)CF)[C@H]1CCCC[C@H]1C ZINC000449377526 388186957 /nfs/dbraw/zinc/18/69/57/388186957.db2.gz AVZACYUHJKFQPR-FOGDFJRCSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@H](NC(CF)CF)[C@@H]1CCCC[C@H]1C ZINC000449377527 388187068 /nfs/dbraw/zinc/18/70/68/388187068.db2.gz AVZACYUHJKFQPR-JFGNBEQYSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@H](NC(CF)CF)[C@H]1CCCC[C@H]1C ZINC000449377528 388186716 /nfs/dbraw/zinc/18/67/16/388186716.db2.gz AVZACYUHJKFQPR-SCVCMEIPSA-N 0 1 219.319 3.098 20 0 BGADMN CC(C)C[C@H]1CCC[C@H](NC(CF)CF)C1 ZINC000449377648 388187054 /nfs/dbraw/zinc/18/70/54/388187054.db2.gz BCMUDVPBLJYOMA-NEPJUHHUSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)C[C@@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000449377649 388186917 /nfs/dbraw/zinc/18/69/17/388186917.db2.gz BCMUDVPBLJYOMA-NWDGAFQWSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)C[C@@H]1CCC[C@H](NC(CF)CF)C1 ZINC000449377650 388186854 /nfs/dbraw/zinc/18/68/54/388186854.db2.gz BCMUDVPBLJYOMA-RYUDHWBXSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)C[C@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000449377651 388187428 /nfs/dbraw/zinc/18/74/28/388187428.db2.gz BCMUDVPBLJYOMA-VXGBXAGGSA-N 0 1 233.346 3.489 20 0 BGADMN CCC(CC)(CC)CNC(CF)CF ZINC000449377970 384078712 /nfs/dbraw/zinc/07/87/12/384078712.db2.gz CDMDMIXIBNPMIH-UHFFFAOYSA-N 0 1 207.308 3.100 20 0 BGADMN CC1(C)CCC(CNC(CF)CF)CC1 ZINC000449378153 384076088 /nfs/dbraw/zinc/07/60/88/384076088.db2.gz CLHCBBSAHSQNKK-UHFFFAOYSA-N 0 1 219.319 3.100 20 0 BGADMN CC(C)[C@@H]1CC[C@H](NC(CF)CF)C[C@@H]1C ZINC000449378163 388188180 /nfs/dbraw/zinc/18/81/80/388188180.db2.gz CNMXGNYDBWGPNM-GVXVVHGQSA-N 0 1 233.346 3.344 20 0 BGADMN CC(C)[C@@H]1CC[C@@H](NC(CF)CF)C[C@@H]1C ZINC000449378164 388187944 /nfs/dbraw/zinc/18/79/44/388187944.db2.gz CNMXGNYDBWGPNM-LOWVWBTDSA-N 0 1 233.346 3.344 20 0 BGADMN CC(C)[C@@H]1CC[C@H](NC(CF)CF)C[C@H]1C ZINC000449378165 388187635 /nfs/dbraw/zinc/18/76/35/388187635.db2.gz CNMXGNYDBWGPNM-MDZLAQPJSA-N 0 1 233.346 3.344 20 0 BGADMN CC(C)[C@@H]1CC[C@@H](NC(CF)CF)C[C@H]1C ZINC000449378166 388187669 /nfs/dbraw/zinc/18/76/69/388187669.db2.gz CNMXGNYDBWGPNM-WZRBSPASSA-N 0 1 233.346 3.344 20 0 BGADMN FCC(CF)NC1CCC(C(F)(F)F)CC1 ZINC000449378197 384075491 /nfs/dbraw/zinc/07/54/91/384075491.db2.gz CYCBHTFCZNWCKF-UHFFFAOYSA-N 0 1 245.235 3.005 20 0 BGADMN C[C@@H](NC(CF)CF)[C@@H](C)C1CCCCC1 ZINC000449378209 388188400 /nfs/dbraw/zinc/18/84/00/388188400.db2.gz DAJTUERZHIBKMR-GHMZBOCLSA-N 0 1 233.346 3.489 20 0 BGADMN C[C@H](NC(CF)CF)[C@@H](C)C1CCCCC1 ZINC000449378210 388188122 /nfs/dbraw/zinc/18/81/22/388188122.db2.gz DAJTUERZHIBKMR-MNOVXSKESA-N 0 1 233.346 3.489 20 0 BGADMN C[C@@H]([C@H](C)NC(CF)CF)C1CCCCC1 ZINC000449378211 388188066 /nfs/dbraw/zinc/18/80/66/388188066.db2.gz DAJTUERZHIBKMR-QWRGUYRKSA-N 0 1 233.346 3.489 20 0 BGADMN C[C@@H](NC(CF)CF)[C@H](C)C1CCCCC1 ZINC000449378212 388188235 /nfs/dbraw/zinc/18/82/35/388188235.db2.gz DAJTUERZHIBKMR-WDEREUQCSA-N 0 1 233.346 3.489 20 0 BGADMN C[C@@H](CCc1cccc(F)c1)NC(CF)CF ZINC000449378221 384075683 /nfs/dbraw/zinc/07/56/83/384075683.db2.gz DDJIEFVGUWJCPE-JTQLQIEISA-N 0 1 245.288 3.044 20 0 BGADMN C[C@H](CCc1cccc(F)c1)NC(CF)CF ZINC000449378222 384076447 /nfs/dbraw/zinc/07/64/47/384076447.db2.gz DDJIEFVGUWJCPE-SNVBAGLBSA-N 0 1 245.288 3.044 20 0 BGADMN CC(C)=CCC[C@H](C)NC(CF)CF ZINC000449378408 388188160 /nfs/dbraw/zinc/18/81/60/388188160.db2.gz DQTGSPBIJJCGHO-JTQLQIEISA-N 0 1 205.292 3.019 20 0 BGADMN CC(C)=CCC[C@@H](C)NC(CF)CF ZINC000449378409 388188112 /nfs/dbraw/zinc/18/81/12/388188112.db2.gz DQTGSPBIJJCGHO-SNVBAGLBSA-N 0 1 205.292 3.019 20 0 BGADMN C[C@H](CCc1ccccc1)CNC(CF)CF ZINC000449378643 384081454 /nfs/dbraw/zinc/08/14/54/384081454.db2.gz FBFFCTQIBDCCSY-GFCCVEGCSA-N 0 1 241.325 3.153 20 0 BGADMN C[C@@H](CCc1ccccc1)CNC(CF)CF ZINC000449378644 384083164 /nfs/dbraw/zinc/08/31/64/384083164.db2.gz FBFFCTQIBDCCSY-LBPRGKRZSA-N 0 1 241.325 3.153 20 0 BGADMN CC[C@H](Cc1ccc(C)cc1)NC(CF)CF ZINC000449378699 388188360 /nfs/dbraw/zinc/18/83/60/388188360.db2.gz FNSSQCGNPWEMQJ-CYBMUJFWSA-N 0 1 241.325 3.213 20 0 BGADMN CC[C@@H](Cc1ccc(C)cc1)NC(CF)CF ZINC000449378700 388188213 /nfs/dbraw/zinc/18/82/13/388188213.db2.gz FNSSQCGNPWEMQJ-ZDUSSCGKSA-N 0 1 241.325 3.213 20 0 BGADMN FCC(CF)N[C@@H]1CCCC12CCCCC2 ZINC000449378721 388188247 /nfs/dbraw/zinc/18/82/47/388188247.db2.gz FTHQTEJRDCQLPA-GFCCVEGCSA-N 0 1 231.330 3.387 20 0 BGADMN FCC(CF)N[C@H]1CCCC12CCCCC2 ZINC000449378722 388188270 /nfs/dbraw/zinc/18/82/70/388188270.db2.gz FTHQTEJRDCQLPA-LBPRGKRZSA-N 0 1 231.330 3.387 20 0 BGADMN CC[C@H](CNC(CF)CF)c1ccccc1 ZINC000449378846 388187890 /nfs/dbraw/zinc/18/78/90/388187890.db2.gz FYFOICJMCFASDT-LLVKDONJSA-N 0 1 227.298 3.077 20 0 BGADMN CC[C@@H](CNC(CF)CF)c1ccccc1 ZINC000449378847 388187631 /nfs/dbraw/zinc/18/76/31/388187631.db2.gz FYFOICJMCFASDT-NSHDSACASA-N 0 1 227.298 3.077 20 0 BGADMN C[C@@H](NC(CF)CF)[C@@H](C)c1ccccc1 ZINC000449379090 201894677 /nfs/dbraw/zinc/89/46/77/201894677.db2.gz GSZKFUDIILOQTD-GHMZBOCLSA-N 0 1 227.298 3.076 20 0 BGADMN C[C@H](NC(CF)CF)[C@@H](C)c1ccccc1 ZINC000449379091 388187904 /nfs/dbraw/zinc/18/79/04/388187904.db2.gz GSZKFUDIILOQTD-MNOVXSKESA-N 0 1 227.298 3.076 20 0 BGADMN C[C@H](c1ccccc1)[C@H](C)NC(CF)CF ZINC000449379092 388188230 /nfs/dbraw/zinc/18/82/30/388188230.db2.gz GSZKFUDIILOQTD-QWRGUYRKSA-N 0 1 227.298 3.076 20 0 BGADMN C[C@@H](NC(CF)CF)[C@H](C)c1ccccc1 ZINC000449379093 384079615 /nfs/dbraw/zinc/07/96/15/384079615.db2.gz GSZKFUDIILOQTD-WDEREUQCSA-N 0 1 227.298 3.076 20 0 BGADMN C[C@@H](CCC1CCCC1)NC(CF)CF ZINC000449379193 388188371 /nfs/dbraw/zinc/18/83/71/388188371.db2.gz HFOYUIZYNFWXKW-JTQLQIEISA-N 0 1 219.319 3.243 20 0 BGADMN C[C@H](CCC1CCCC1)NC(CF)CF ZINC000449379194 388187884 /nfs/dbraw/zinc/18/78/84/388187884.db2.gz HFOYUIZYNFWXKW-SNVBAGLBSA-N 0 1 219.319 3.243 20 0 BGADMN CC(C)C1CCC(CNC(CF)CF)CC1 ZINC000449379195 388188040 /nfs/dbraw/zinc/18/80/40/388188040.db2.gz HFPOPLMUWYJHJC-UHFFFAOYSA-N 0 1 233.346 3.346 20 0 BGADMN CC(C)(C)C1CCC(NC(CF)CF)CC1 ZINC000449379364 388188395 /nfs/dbraw/zinc/18/83/95/388188395.db2.gz HRIHIVULMWOZHN-UHFFFAOYSA-N 0 1 233.346 3.489 20 0 BGADMN FCC(CF)NC1CCC2(CCCC2)CC1 ZINC000449379437 388187896 /nfs/dbraw/zinc/18/78/96/388187896.db2.gz ICDMRZGTSNAROG-UHFFFAOYSA-N 0 1 231.330 3.387 20 0 BGADMN C[C@@H](CNC(CF)CF)CC1CCCCC1 ZINC000449379460 388187916 /nfs/dbraw/zinc/18/79/16/388187916.db2.gz IGKZYSHCHLWVHY-LLVKDONJSA-N 0 1 233.346 3.490 20 0 BGADMN C[C@H](CNC(CF)CF)CC1CCCCC1 ZINC000449379461 388187792 /nfs/dbraw/zinc/18/77/92/388187792.db2.gz IGKZYSHCHLWVHY-NSHDSACASA-N 0 1 233.346 3.490 20 0 BGADMN CC(C)CC[C@@H]1CC[C@H](NC(CF)CF)C1 ZINC000449379487 388188324 /nfs/dbraw/zinc/18/83/24/388188324.db2.gz IRAANHJCYIVXME-NEPJUHHUSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)CC[C@H]1CC[C@@H](NC(CF)CF)C1 ZINC000449379488 388187745 /nfs/dbraw/zinc/18/77/45/388187745.db2.gz IRAANHJCYIVXME-NWDGAFQWSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)CC[C@H]1CC[C@H](NC(CF)CF)C1 ZINC000449379489 384085539 /nfs/dbraw/zinc/08/55/39/384085539.db2.gz IRAANHJCYIVXME-RYUDHWBXSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)CC[C@@H]1CC[C@@H](NC(CF)CF)C1 ZINC000449379490 384084951 /nfs/dbraw/zinc/08/49/51/384084951.db2.gz IRAANHJCYIVXME-VXGBXAGGSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)[C@@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000449379548 384082667 /nfs/dbraw/zinc/08/26/67/384082667.db2.gz JBQYERWTGGJBBC-GHMZBOCLSA-N 0 1 219.319 3.098 20 0 BGADMN CC(C)[C@@H]1CCC[C@H](NC(CF)CF)C1 ZINC000449379549 384083088 /nfs/dbraw/zinc/08/30/88/384083088.db2.gz JBQYERWTGGJBBC-MNOVXSKESA-N 0 1 219.319 3.098 20 0 BGADMN CC(C)[C@H]1CCC[C@H](NC(CF)CF)C1 ZINC000449379550 384083061 /nfs/dbraw/zinc/08/30/61/384083061.db2.gz JBQYERWTGGJBBC-QWRGUYRKSA-N 0 1 219.319 3.098 20 0 BGADMN CC(C)[C@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000449379551 384082977 /nfs/dbraw/zinc/08/29/77/384082977.db2.gz JBQYERWTGGJBBC-WDEREUQCSA-N 0 1 219.319 3.098 20 0 BGADMN CCCC1CCC(NC(CF)CF)CC1 ZINC000449379552 384082745 /nfs/dbraw/zinc/08/27/45/384082745.db2.gz JCWBTLKEIZWKNR-UHFFFAOYSA-N 0 1 219.319 3.243 20 0 BGADMN C[C@@H](NC(CF)CF)C1CCC(F)(F)CC1 ZINC000449379887 388187606 /nfs/dbraw/zinc/18/76/06/388187606.db2.gz KMXJNRSIUUACEQ-MRVPVSSYSA-N 0 1 241.272 3.098 20 0 BGADMN C[C@H](NC(CF)CF)C1CCC(F)(F)CC1 ZINC000449379888 388187728 /nfs/dbraw/zinc/18/77/28/388187728.db2.gz KMXJNRSIUUACEQ-QMMMGPOBSA-N 0 1 241.272 3.098 20 0 BGADMN CC(C)CC[C@@H]1CCC[C@@H]1NC(CF)CF ZINC000449380038 388188850 /nfs/dbraw/zinc/18/88/50/388188850.db2.gz LQSCAZVHTAVWLI-AAEUAGOBSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)CC[C@H]1CCC[C@H]1NC(CF)CF ZINC000449380039 201893863 /nfs/dbraw/zinc/89/38/63/201893863.db2.gz LQSCAZVHTAVWLI-DGCLKSJQSA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)CC[C@@H]1CCC[C@H]1NC(CF)CF ZINC000449380040 388188705 /nfs/dbraw/zinc/18/87/05/388188705.db2.gz LQSCAZVHTAVWLI-WCQYABFASA-N 0 1 233.346 3.489 20 0 BGADMN CC(C)CC[C@H]1CCC[C@@H]1NC(CF)CF ZINC000449380041 388188912 /nfs/dbraw/zinc/18/89/12/388188912.db2.gz LQSCAZVHTAVWLI-YPMHNXCESA-N 0 1 233.346 3.489 20 0 BGADMN C[C@@H](CCc1ccc(F)cc1)NC(CF)CF ZINC000449380053 388188894 /nfs/dbraw/zinc/18/88/94/388188894.db2.gz LUYPQVYENYPMAI-JTQLQIEISA-N 0 1 245.288 3.044 20 0 BGADMN C[C@H](CCc1ccc(F)cc1)NC(CF)CF ZINC000449380054 388188557 /nfs/dbraw/zinc/18/85/57/388188557.db2.gz LUYPQVYENYPMAI-SNVBAGLBSA-N 0 1 245.288 3.044 20 0 BGADMN FCC(CF)NCCCC1CCCCC1 ZINC000449380225 388185487 /nfs/dbraw/zinc/18/54/87/388185487.db2.gz MFWVKZKNADHFBC-UHFFFAOYSA-N 0 1 219.319 3.244 20 0 BGADMN C[C@H]1C[C@H](NC(CF)CF)CC(C)(C)C1 ZINC000449380230 200670041 /nfs/dbraw/zinc/67/00/41/200670041.db2.gz MHSGJGGKBKGWHP-UWVGGRQHSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@H]1C[C@@H](NC(CF)CF)CC(C)(C)C1 ZINC000449380231 384089081 /nfs/dbraw/zinc/08/90/81/384089081.db2.gz MHSGJGGKBKGWHP-VHSXEESVSA-N 0 1 219.319 3.098 20 0 BGADMN CCCC1CCC(CNC(CF)CF)CC1 ZINC000449380247 388189242 /nfs/dbraw/zinc/18/92/42/388189242.db2.gz MJRSBAWCJNWOSN-UHFFFAOYSA-N 0 1 233.346 3.490 20 0 BGADMN Cc1cccc(CC[C@@H](C)NC(CF)CF)c1 ZINC000449380376 388188927 /nfs/dbraw/zinc/18/89/27/388188927.db2.gz MQMMVRYMIZVGRJ-GFCCVEGCSA-N 0 1 241.325 3.213 20 0 BGADMN Cc1cccc(CC[C@H](C)NC(CF)CF)c1 ZINC000449380377 384089357 /nfs/dbraw/zinc/08/93/57/384089357.db2.gz MQMMVRYMIZVGRJ-LBPRGKRZSA-N 0 1 241.325 3.213 20 0 BGADMN C[C@H](CCC(C)(C)C)NC(CF)CF ZINC000449380506 388189210 /nfs/dbraw/zinc/18/92/10/388189210.db2.gz NOMRQFYWSJEZFI-SECBINFHSA-N 0 1 207.308 3.098 20 0 BGADMN C[C@@H](CCC(C)(C)C)NC(CF)CF ZINC000449380507 388189149 /nfs/dbraw/zinc/18/91/49/388189149.db2.gz NOMRQFYWSJEZFI-VIFPVBQESA-N 0 1 207.308 3.098 20 0 BGADMN FCC(CF)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449380704 384094113 /nfs/dbraw/zinc/09/41/13/384094113.db2.gz OKTOTZRIYRJCRJ-HTQZYQBOSA-N 0 1 245.235 3.005 20 0 BGADMN FCC(CF)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449380705 384091981 /nfs/dbraw/zinc/09/19/81/384091981.db2.gz OKTOTZRIYRJCRJ-JGVFFNPUSA-N 0 1 245.235 3.005 20 0 BGADMN FCC(CF)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449380706 384094189 /nfs/dbraw/zinc/09/41/89/384094189.db2.gz OKTOTZRIYRJCRJ-SFYZADRCSA-N 0 1 245.235 3.005 20 0 BGADMN FCC(CF)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449380707 384093821 /nfs/dbraw/zinc/09/38/21/384093821.db2.gz OKTOTZRIYRJCRJ-YUMQZZPRSA-N 0 1 245.235 3.005 20 0 BGADMN FCC(CF)N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000449380730 388188562 /nfs/dbraw/zinc/18/85/62/388188562.db2.gz OOINPXCZYWTNGK-CHWSQXEVSA-N 0 1 239.309 3.220 20 0 BGADMN FCC(CF)N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000449380731 388188545 /nfs/dbraw/zinc/18/85/45/388188545.db2.gz OOINPXCZYWTNGK-OLZOCXBDSA-N 0 1 239.309 3.220 20 0 BGADMN FCC(CF)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000449380732 384091811 /nfs/dbraw/zinc/09/18/11/384091811.db2.gz OOINPXCZYWTNGK-QWHCGFSZSA-N 0 1 239.309 3.220 20 0 BGADMN FCC(CF)N[C@H]1CC[C@H](c2ccccc2)C1 ZINC000449380733 384092746 /nfs/dbraw/zinc/09/27/46/384092746.db2.gz OOINPXCZYWTNGK-STQMWFEESA-N 0 1 239.309 3.220 20 0 BGADMN CC(C)CCC[C@H](C)NC(CF)CF ZINC000449380856 388188599 /nfs/dbraw/zinc/18/85/99/388188599.db2.gz PASNGDSSZAAYEZ-JTQLQIEISA-N 0 1 207.308 3.098 20 0 BGADMN CC(C)CCC[C@@H](C)NC(CF)CF ZINC000449380857 388189258 /nfs/dbraw/zinc/18/92/58/388189258.db2.gz PASNGDSSZAAYEZ-SNVBAGLBSA-N 0 1 207.308 3.098 20 0 BGADMN C[C@H](NC(CF)CF)C1CCCCCC1 ZINC000449381199 384095537 /nfs/dbraw/zinc/09/55/37/384095537.db2.gz QTEBPHCRIBMFLL-JTQLQIEISA-N 0 1 219.319 3.243 20 0 BGADMN C[C@@H](NC(CF)CF)C1CCCCCC1 ZINC000449381200 384095658 /nfs/dbraw/zinc/09/56/58/384095658.db2.gz QTEBPHCRIBMFLL-SNVBAGLBSA-N 0 1 219.319 3.243 20 0 BGADMN CC(C)CC(CC(C)C)NC(CF)CF ZINC000449381231 388188829 /nfs/dbraw/zinc/18/88/29/388188829.db2.gz RBGVTUKXKILOKM-UHFFFAOYSA-N 0 1 221.335 3.344 20 0 BGADMN C[C@H]1CC(C)(C)CC[C@H]1NC(CF)CF ZINC000449381266 384098819 /nfs/dbraw/zinc/09/88/19/384098819.db2.gz RIZORBKNSBQIFA-GXSJLCMTSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@@H]1CC(C)(C)CC[C@@H]1NC(CF)CF ZINC000449381267 384099252 /nfs/dbraw/zinc/09/92/52/384099252.db2.gz RIZORBKNSBQIFA-KOLCDFICSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@@H]1CC(C)(C)CC[C@H]1NC(CF)CF ZINC000449381268 384099199 /nfs/dbraw/zinc/09/91/99/384099199.db2.gz RIZORBKNSBQIFA-MWLCHTKSSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@H]1CC(C)(C)CC[C@@H]1NC(CF)CF ZINC000449381269 384099433 /nfs/dbraw/zinc/09/94/33/384099433.db2.gz RIZORBKNSBQIFA-ONGXEEELSA-N 0 1 219.319 3.098 20 0 BGADMN C[C@H](CCCC(F)(F)F)NC(CF)CF ZINC000449381294 388189204 /nfs/dbraw/zinc/18/92/04/388189204.db2.gz RMOPURLGYCRYSF-SSDOTTSWSA-N 0 1 233.224 3.005 20 0 BGADMN C[C@@H](CCCC(F)(F)F)NC(CF)CF ZINC000449381295 388188721 /nfs/dbraw/zinc/18/87/21/388188721.db2.gz RMOPURLGYCRYSF-ZETCQYMHSA-N 0 1 233.224 3.005 20 0 BGADMN CC(C)[C@H](CNC(CF)CF)c1ccccc1 ZINC000449381378 388189251 /nfs/dbraw/zinc/18/92/51/388189251.db2.gz RTEZZOZORGRZGC-AWEZNQCLSA-N 0 1 241.325 3.323 20 0 BGADMN CC(C)[C@@H](CNC(CF)CF)c1ccccc1 ZINC000449381379 388188730 /nfs/dbraw/zinc/18/87/30/388188730.db2.gz RTEZZOZORGRZGC-CQSZACIVSA-N 0 1 241.325 3.323 20 0 BGADMN CCC[C@H](CNC(CF)CF)c1ccccc1 ZINC000449381497 384101656 /nfs/dbraw/zinc/10/16/56/384101656.db2.gz SHUCSRWQMUUJIO-CYBMUJFWSA-N 0 1 241.325 3.468 20 0 BGADMN CCC[C@@H](CNC(CF)CF)c1ccccc1 ZINC000449381498 384101710 /nfs/dbraw/zinc/10/17/10/384101710.db2.gz SHUCSRWQMUUJIO-ZDUSSCGKSA-N 0 1 241.325 3.468 20 0 BGADMN Cc1ccc(CC[C@@H](C)NC(CF)CF)cc1 ZINC000449381542 388188726 /nfs/dbraw/zinc/18/87/26/388188726.db2.gz SNJYRQWHEHBKJJ-GFCCVEGCSA-N 0 1 241.325 3.213 20 0 BGADMN Cc1ccc(CC[C@H](C)NC(CF)CF)cc1 ZINC000449381543 388188683 /nfs/dbraw/zinc/18/86/83/388188683.db2.gz SNJYRQWHEHBKJJ-LBPRGKRZSA-N 0 1 241.325 3.213 20 0 BGADMN CCC1(C)CCC(NC(CF)CF)CC1 ZINC000449381779 384102524 /nfs/dbraw/zinc/10/25/24/384102524.db2.gz SSDIZXUXEJAGPZ-UHFFFAOYSA-N 0 1 219.319 3.243 20 0 BGADMN CC[C@@H]1CCC[C@@H](CNC(CF)CF)C1 ZINC000449381813 388189180 /nfs/dbraw/zinc/18/91/80/388189180.db2.gz SXFNITAFRHRAGQ-GHMZBOCLSA-N 0 1 219.319 3.100 20 0 BGADMN CC[C@@H]1CCC[C@H](CNC(CF)CF)C1 ZINC000449381814 388188998 /nfs/dbraw/zinc/18/89/98/388188998.db2.gz SXFNITAFRHRAGQ-MNOVXSKESA-N 0 1 219.319 3.100 20 0 BGADMN CC[C@H]1CCC[C@H](CNC(CF)CF)C1 ZINC000449381815 388188772 /nfs/dbraw/zinc/18/87/72/388188772.db2.gz SXFNITAFRHRAGQ-QWRGUYRKSA-N 0 1 219.319 3.100 20 0 BGADMN CC[C@H]1CCC[C@@H](CNC(CF)CF)C1 ZINC000449381816 388189109 /nfs/dbraw/zinc/18/91/09/388189109.db2.gz SXFNITAFRHRAGQ-WDEREUQCSA-N 0 1 219.319 3.100 20 0 BGADMN CCCC[C@H]1CCC[C@H]1NC(CF)CF ZINC000449381856 388188875 /nfs/dbraw/zinc/18/88/75/388188875.db2.gz UBKSDQPIMQZPTN-CMPLNLGQSA-N 0 1 219.319 3.243 20 0 BGADMN CCCC[C@H]1CCC[C@@H]1NC(CF)CF ZINC000449381857 388188782 /nfs/dbraw/zinc/18/87/82/388188782.db2.gz UBKSDQPIMQZPTN-JQWIXIFHSA-N 0 1 219.319 3.243 20 0 BGADMN CCCC[C@@H]1CCC[C@@H]1NC(CF)CF ZINC000449381923 388188889 /nfs/dbraw/zinc/18/88/89/388188889.db2.gz UBKSDQPIMQZPTN-PWSUYJOCSA-N 0 1 219.319 3.243 20 0 BGADMN CCCC[C@@H]1CCC[C@H]1NC(CF)CF ZINC000449381925 388188960 /nfs/dbraw/zinc/18/89/60/388188960.db2.gz UBKSDQPIMQZPTN-ZYHUDNBSSA-N 0 1 219.319 3.243 20 0 BGADMN CCC[C@H](Cc1ccccc1)NC(CF)CF ZINC000449382234 384109184 /nfs/dbraw/zinc/10/91/84/384109184.db2.gz VXIDVDYCIWLHQH-CYBMUJFWSA-N 0 1 241.325 3.295 20 0 BGADMN CCC[C@@H](Cc1ccccc1)NC(CF)CF ZINC000449382235 384109442 /nfs/dbraw/zinc/10/94/42/384109442.db2.gz VXIDVDYCIWLHQH-ZDUSSCGKSA-N 0 1 241.325 3.295 20 0 BGADMN CC(C)C[C@@H](C)C[C@@H](C)NC(CF)CF ZINC000449382236 384110005 /nfs/dbraw/zinc/11/00/05/384110005.db2.gz VXJVJZIJPFYEPO-GHMZBOCLSA-N 0 1 221.335 3.344 20 0 BGADMN CC(C)C[C@@H](C)C[C@H](C)NC(CF)CF ZINC000449382237 384109021 /nfs/dbraw/zinc/10/90/21/384109021.db2.gz VXJVJZIJPFYEPO-MNOVXSKESA-N 0 1 221.335 3.344 20 0 BGADMN CC(C)C[C@H](C)C[C@H](C)NC(CF)CF ZINC000449382238 384110090 /nfs/dbraw/zinc/11/00/90/384110090.db2.gz VXJVJZIJPFYEPO-QWRGUYRKSA-N 0 1 221.335 3.344 20 0 BGADMN CC(C)C[C@H](C)C[C@@H](C)NC(CF)CF ZINC000449382239 384110337 /nfs/dbraw/zinc/11/03/37/384110337.db2.gz VXJVJZIJPFYEPO-WDEREUQCSA-N 0 1 221.335 3.344 20 0 BGADMN FCC(CF)N[C@@H]1CCCCC12CCCC2 ZINC000449382250 388188566 /nfs/dbraw/zinc/18/85/66/388188566.db2.gz WBAWXUUQDZWLFN-GFCCVEGCSA-N 0 1 231.330 3.387 20 0 BGADMN FCC(CF)N[C@H]1CCCCC12CCCC2 ZINC000449382251 388188839 /nfs/dbraw/zinc/18/88/39/388188839.db2.gz WBAWXUUQDZWLFN-LBPRGKRZSA-N 0 1 231.330 3.387 20 0 BGADMN CC(C)C1CCC(NC(CF)CF)CC1 ZINC000449382318 384108751 /nfs/dbraw/zinc/10/87/51/384108751.db2.gz WGFRHTHEYQDWKQ-UHFFFAOYSA-N 0 1 219.319 3.098 20 0 BGADMN CC[C@@H](C)C[C@@H](CC)NC(CF)CF ZINC000449382387 388188766 /nfs/dbraw/zinc/18/87/66/388188766.db2.gz WMAHJNMASONCEG-NXEZZACHSA-N 0 1 207.308 3.098 20 0 BGADMN CC[C@H](C)C[C@H](CC)NC(CF)CF ZINC000449382389 388188832 /nfs/dbraw/zinc/18/88/32/388188832.db2.gz WMAHJNMASONCEG-UWVGGRQHSA-N 0 1 207.308 3.098 20 0 BGADMN CC[C@H](C[C@@H](C)CC)NC(CF)CF ZINC000449382390 388189019 /nfs/dbraw/zinc/18/90/19/388189019.db2.gz WMAHJNMASONCEG-VHSXEESVSA-N 0 1 207.308 3.098 20 0 BGADMN CC[C@@H](C)C[C@H](CC)NC(CF)CF ZINC000449382392 388188679 /nfs/dbraw/zinc/18/86/79/388188679.db2.gz WMAHJNMASONCEG-ZJUUUORDSA-N 0 1 207.308 3.098 20 0 BGADMN FCC(CF)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000449382525 384107074 /nfs/dbraw/zinc/10/70/74/384107074.db2.gz XLHFJDUIBWDGIJ-KBPBESRZSA-N 0 1 239.309 3.220 20 0 BGADMN FCC(CF)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000449382526 384105771 /nfs/dbraw/zinc/10/57/71/384105771.db2.gz XLHFJDUIBWDGIJ-KGLIPLIRSA-N 0 1 239.309 3.220 20 0 BGADMN FCC(CF)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000449382527 384107295 /nfs/dbraw/zinc/10/72/95/384107295.db2.gz XLHFJDUIBWDGIJ-UONOGXRCSA-N 0 1 239.309 3.220 20 0 BGADMN FCC(CF)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000449382528 384106869 /nfs/dbraw/zinc/10/68/69/384106869.db2.gz XLHFJDUIBWDGIJ-ZIAGYGMSSA-N 0 1 239.309 3.220 20 0 BGADMN CC1(C)CC(NC(CF)CF)CC(C)(C)C1 ZINC000449382766 388189625 /nfs/dbraw/zinc/18/96/25/388189625.db2.gz YLSHCOLFVMERFF-UHFFFAOYSA-N 0 1 233.346 3.489 20 0 BGADMN CC1(CNC(CF)CF)CCCCCC1 ZINC000449382778 384108839 /nfs/dbraw/zinc/10/88/39/384108839.db2.gz YOSLFAIKTGTXRE-UHFFFAOYSA-N 0 1 219.319 3.244 20 0 BGADMN CCCC[C@@H](CC)CCNC(CF)CF ZINC000449383007 398295665 /nfs/dbraw/zinc/29/56/65/398295665.db2.gz ZQYBBUMCRHDAOP-LLVKDONJSA-N 0 1 221.335 3.490 20 0 BGADMN CCCC[C@H](CC)CCNC(CF)CF ZINC000449383008 398295599 /nfs/dbraw/zinc/29/55/99/398295599.db2.gz ZQYBBUMCRHDAOP-NSHDSACASA-N 0 1 221.335 3.490 20 0 BGADMN CCCC[C@@H](C)[C@@H](C)NC(CF)CF ZINC000449383036 388189872 /nfs/dbraw/zinc/18/98/72/388189872.db2.gz ZXGDYRCAHAFWAV-NXEZZACHSA-N 0 1 207.308 3.098 20 0 BGADMN CCCC[C@H](C)[C@H](C)NC(CF)CF ZINC000449383037 388189531 /nfs/dbraw/zinc/18/95/31/388189531.db2.gz ZXGDYRCAHAFWAV-UWVGGRQHSA-N 0 1 207.308 3.098 20 0 BGADMN CCCC[C@H](C)[C@@H](C)NC(CF)CF ZINC000449383038 388189578 /nfs/dbraw/zinc/18/95/78/388189578.db2.gz ZXGDYRCAHAFWAV-VHSXEESVSA-N 0 1 207.308 3.098 20 0 BGADMN CCCC[C@@H](C)[C@H](C)NC(CF)CF ZINC000449383039 388189520 /nfs/dbraw/zinc/18/95/20/388189520.db2.gz ZXGDYRCAHAFWAV-ZJUUUORDSA-N 0 1 207.308 3.098 20 0 BGADMN F[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000449386750 388191049 /nfs/dbraw/zinc/19/10/49/388191049.db2.gz JMDRWOMFHKDVMT-HNNXBMFYSA-N 0 1 229.298 3.384 20 0 BGADMN F[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000449386751 388191164 /nfs/dbraw/zinc/19/11/64/388191164.db2.gz JMDRWOMFHKDVMT-OAHLLOKOSA-N 0 1 229.298 3.384 20 0 BGADMN F[C@@H]1CCN(Cc2csc3ccccc23)C1 ZINC000449386886 388190940 /nfs/dbraw/zinc/19/09/40/388190940.db2.gz JRNRFJWLBSVYNI-LLVKDONJSA-N 0 1 235.327 3.445 20 0 BGADMN F[C@H]1CCN(Cc2csc3ccccc23)C1 ZINC000449386887 388190480 /nfs/dbraw/zinc/19/04/80/388190480.db2.gz JRNRFJWLBSVYNI-NSHDSACASA-N 0 1 235.327 3.445 20 0 BGADMN F[C@@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000449387170 388190770 /nfs/dbraw/zinc/19/07/70/388190770.db2.gz KQYRYFKABFPRME-LLVKDONJSA-N 0 1 235.327 3.445 20 0 BGADMN F[C@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000449387171 388190614 /nfs/dbraw/zinc/19/06/14/388190614.db2.gz KQYRYFKABFPRME-NSHDSACASA-N 0 1 235.327 3.445 20 0 BGADMN C/C(=C\c1ccccc1)CN1CC[C@@H](F)C1 ZINC000449388189 388191967 /nfs/dbraw/zinc/19/19/67/388191967.db2.gz OLTFFBXXTDDENI-BRADTZPFSA-N 0 1 219.303 3.134 20 0 BGADMN C/C(=C/c1ccccc1)CN1CC[C@@H](F)C1 ZINC000449388190 388192276 /nfs/dbraw/zinc/19/22/76/388192276.db2.gz OLTFFBXXTDDENI-FWLQQBITSA-N 0 1 219.303 3.134 20 0 BGADMN C/C(=C\c1ccccc1)CN1CC[C@H](F)C1 ZINC000449388191 388192262 /nfs/dbraw/zinc/19/22/62/388192262.db2.gz OLTFFBXXTDDENI-TZIYXEQSSA-N 0 1 219.303 3.134 20 0 BGADMN C/C(=C/c1ccccc1)CN1CC[C@H](F)C1 ZINC000449388192 388192097 /nfs/dbraw/zinc/19/20/97/388192097.db2.gz OLTFFBXXTDDENI-UQTJOTSZSA-N 0 1 219.303 3.134 20 0 BGADMN Cc1cc(C)c(CN2CC[C@H](F)C2)cc1C ZINC000449388469 388192356 /nfs/dbraw/zinc/19/23/56/388192356.db2.gz PJISNADXLKYVPI-AWEZNQCLSA-N 0 1 221.319 3.156 20 0 BGADMN Cc1cc(C)c(CN2CC[C@@H](F)C2)cc1C ZINC000449388470 388191777 /nfs/dbraw/zinc/19/17/77/388191777.db2.gz PJISNADXLKYVPI-CQSZACIVSA-N 0 1 221.319 3.156 20 0 BGADMN Cc1oc2ccccc2c1CN1CC[C@@H](F)C1 ZINC000449396821 388194460 /nfs/dbraw/zinc/19/44/60/388194460.db2.gz SXHWVYNZNTYVHS-LLVKDONJSA-N 0 1 233.286 3.285 20 0 BGADMN Cc1oc2ccccc2c1CN1CC[C@H](F)C1 ZINC000449396822 388194779 /nfs/dbraw/zinc/19/47/79/388194779.db2.gz SXHWVYNZNTYVHS-NSHDSACASA-N 0 1 233.286 3.285 20 0 BGADMN C[C@H](NC[C@H]1C[C@@H]1c1ccccc1)C(C)(F)F ZINC000449411391 388198284 /nfs/dbraw/zinc/19/82/84/388198284.db2.gz AZJHPXCOUZOUMY-CYZMBNFOSA-N 0 1 239.309 3.423 20 0 BGADMN C[C@H](NC[C@H]1C[C@H]1c1ccccc1)C(C)(F)F ZINC000449411392 388198026 /nfs/dbraw/zinc/19/80/26/388198026.db2.gz AZJHPXCOUZOUMY-UHTWSYAYSA-N 0 1 239.309 3.423 20 0 BGADMN C[C@H](NC[C@@H]1C[C@@H]1c1ccccc1)C(C)(F)F ZINC000449411393 388198064 /nfs/dbraw/zinc/19/80/64/388198064.db2.gz AZJHPXCOUZOUMY-WCFLWFBJSA-N 0 1 239.309 3.423 20 0 BGADMN CCC1(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000449411558 388198380 /nfs/dbraw/zinc/19/83/80/388198380.db2.gz BOLOWJOIPVWYPD-UHFFFAOYSA-N 0 1 238.400 3.473 20 0 BGADMN CCC1(NCc2csc(C3CC3)n2)CC1 ZINC000449411892 388197968 /nfs/dbraw/zinc/19/79/68/388197968.db2.gz DAMXVYNFCRGZNB-UHFFFAOYSA-N 0 1 222.357 3.053 20 0 BGADMN CCC1(NCc2ncc(C(C)C)s2)CC1 ZINC000449411910 388198143 /nfs/dbraw/zinc/19/81/43/388198143.db2.gz DDLCUOZVSMLDAY-UHFFFAOYSA-N 0 1 224.373 3.299 20 0 BGADMN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)C(C)(F)F ZINC000449411951 388198332 /nfs/dbraw/zinc/19/83/32/388198332.db2.gz DKKOSLOUUDRGAP-GDPRMGEGSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)C(C)(F)F ZINC000449411952 388198179 /nfs/dbraw/zinc/19/81/79/388198179.db2.gz DKKOSLOUUDRGAP-INTQDDNPSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)C(C)(F)F ZINC000449411953 388198106 /nfs/dbraw/zinc/19/81/06/388198106.db2.gz DKKOSLOUUDRGAP-JMJZKYOTSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@H](N[C@H]1CC[C@H]1C1CCC1)C(C)(F)F ZINC000449411954 388198056 /nfs/dbraw/zinc/19/80/56/388198056.db2.gz DKKOSLOUUDRGAP-LSJOCFKGSA-N 0 1 217.303 3.198 20 0 BGADMN CCC(CC)CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449412117 388198163 /nfs/dbraw/zinc/19/81/63/388198163.db2.gz DVCTXITYZDYPBP-CYBMUJFWSA-N 0 1 249.402 3.239 20 0 BGADMN CCC(CC)CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449412118 388197866 /nfs/dbraw/zinc/19/78/66/388197866.db2.gz DVCTXITYZDYPBP-ZDUSSCGKSA-N 0 1 249.402 3.239 20 0 BGADMN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)C(C)(F)F ZINC000449412425 398314571 /nfs/dbraw/zinc/31/45/71/398314571.db2.gz FKVZQWRZMPTRRW-GUBZILKMSA-N 0 1 205.292 3.054 20 0 BGADMN CC(C)[C@@H]1CC[C@H]1N[C@H](C)C(C)(F)F ZINC000449412426 398295162 /nfs/dbraw/zinc/29/51/62/398295162.db2.gz FKVZQWRZMPTRRW-KXUCPTDWSA-N 0 1 205.292 3.054 20 0 BGADMN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)C(C)(F)F ZINC000449412428 398295406 /nfs/dbraw/zinc/29/54/06/398295406.db2.gz FKVZQWRZMPTRRW-LPEHRKFASA-N 0 1 205.292 3.054 20 0 BGADMN CC(C)[C@@H]1CC[C@@H]1N[C@H](C)C(C)(F)F ZINC000449412429 398295052 /nfs/dbraw/zinc/29/50/52/398295052.db2.gz FKVZQWRZMPTRRW-UTLUCORTSA-N 0 1 205.292 3.054 20 0 BGADMN CCC[C@@H](C)CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449412846 388197995 /nfs/dbraw/zinc/19/79/95/388197995.db2.gz GWDWSAWKXMOHPS-CHWSQXEVSA-N 0 1 249.402 3.239 20 0 BGADMN CCC[C@@H](C)CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449412847 388198149 /nfs/dbraw/zinc/19/81/49/388198149.db2.gz GWDWSAWKXMOHPS-OLZOCXBDSA-N 0 1 249.402 3.239 20 0 BGADMN CCC[C@H](C)CN1CC(C)(C)[C@H]1c1nccn1C ZINC000449412848 388198211 /nfs/dbraw/zinc/19/82/11/388198211.db2.gz GWDWSAWKXMOHPS-QWHCGFSZSA-N 0 1 249.402 3.239 20 0 BGADMN CCC[C@H](C)CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000449412849 388198039 /nfs/dbraw/zinc/19/80/39/388198039.db2.gz GWDWSAWKXMOHPS-STQMWFEESA-N 0 1 249.402 3.239 20 0 BGADMN C[C@@H](CN[C@H](C)C(C)(F)F)CC1CCOCC1 ZINC000449413024 384298020 /nfs/dbraw/zinc/29/80/20/384298020.db2.gz HFORUDULJUNXFZ-GHMZBOCLSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H](CN[C@@H](C)C(C)(F)F)CC1CCOCC1 ZINC000449413025 384299075 /nfs/dbraw/zinc/29/90/75/384299075.db2.gz HFORUDULJUNXFZ-MNOVXSKESA-N 0 1 249.345 3.073 20 0 BGADMN C[C@H](CN[C@@H](C)C(C)(F)F)CC1CCOCC1 ZINC000449413026 384297099 /nfs/dbraw/zinc/29/70/99/384297099.db2.gz HFORUDULJUNXFZ-QWRGUYRKSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H](NC[C@@H](C)CC1CCOCC1)C(C)(F)F ZINC000449413027 200675870 /nfs/dbraw/zinc/67/58/70/200675870.db2.gz HFORUDULJUNXFZ-WDEREUQCSA-N 0 1 249.345 3.073 20 0 BGADMN CCC1(NCc2coc(-c3ccccc3)n2)CC1 ZINC000449413727 388198274 /nfs/dbraw/zinc/19/82/74/388198274.db2.gz KBOAPASEOKMSFA-UHFFFAOYSA-N 0 1 242.322 3.374 20 0 BGADMN C[C@@H](N[C@@H](C)C(C)(F)F)C1CCSCC1 ZINC000449414475 388198762 /nfs/dbraw/zinc/19/87/62/388198762.db2.gz MFEWJMKKIMXZEW-BDAKNGLRSA-N 0 1 237.359 3.151 20 0 BGADMN C[C@@H](N[C@@H](C)C1CCSCC1)C(C)(F)F ZINC000449414477 388199008 /nfs/dbraw/zinc/19/90/08/388199008.db2.gz MFEWJMKKIMXZEW-DTWKUNHWSA-N 0 1 237.359 3.151 20 0 BGADMN C[C@H](N[C@@H](C)C(C)(F)F)C1CCSCC1 ZINC000449414478 388198840 /nfs/dbraw/zinc/19/88/40/388198840.db2.gz MFEWJMKKIMXZEW-IUCAKERBSA-N 0 1 237.359 3.151 20 0 BGADMN C[C@@H](N[C@H](C)C(C)(F)F)C1CCSCC1 ZINC000449414479 201912637 /nfs/dbraw/zinc/91/26/37/201912637.db2.gz MFEWJMKKIMXZEW-RKDXNWHRSA-N 0 1 237.359 3.151 20 0 BGADMN C[C@@H](NC1CCC2(CC2)CC1)C(C)(F)F ZINC000449415538 388198816 /nfs/dbraw/zinc/19/88/16/388198816.db2.gz PLYJFDFZWPRVDR-SECBINFHSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](NC1CCC2(CC2)CC1)C(C)(F)F ZINC000449415539 388199032 /nfs/dbraw/zinc/19/90/32/388199032.db2.gz PLYJFDFZWPRVDR-VIFPVBQESA-N 0 1 217.303 3.343 20 0 BGADMN C[C@@H](CCC(F)(F)F)N[C@@H](C)C(C)(F)F ZINC000449416070 388198728 /nfs/dbraw/zinc/19/87/28/388198728.db2.gz RQOFLIXVUTVMOA-BQBZGAKWSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@@H](N[C@@H](C)CCC(F)(F)F)C(C)(F)F ZINC000449416071 388199023 /nfs/dbraw/zinc/19/90/23/388199023.db2.gz RQOFLIXVUTVMOA-NKWVEPMBSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@H](CCC(F)(F)F)N[C@H](C)C(C)(F)F ZINC000449416072 388199097 /nfs/dbraw/zinc/19/90/97/388199097.db2.gz RQOFLIXVUTVMOA-RNFRBKRXSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@H](CCC(F)(F)F)N[C@@H](C)C(C)(F)F ZINC000449416073 201912344 /nfs/dbraw/zinc/91/23/44/201912344.db2.gz RQOFLIXVUTVMOA-RQJHMYQMSA-N 0 1 233.224 3.351 20 0 BGADMN C[C@@H](NC1CCC(C(F)F)CC1)C(C)(F)F ZINC000449416648 388198731 /nfs/dbraw/zinc/19/87/31/388198731.db2.gz UTOFXZNTFDBVRX-AFPNSQJFSA-N 0 1 241.272 3.444 20 0 BGADMN C[C@H](NC1CCC(C(F)F)CC1)C(C)(F)F ZINC000449416649 388198975 /nfs/dbraw/zinc/19/89/75/388198975.db2.gz UTOFXZNTFDBVRX-UEJVZZJDSA-N 0 1 241.272 3.444 20 0 BGADMN C[C@@H](CN[C@@H](C)C(C)(F)F)Cc1ccccc1 ZINC000449416903 322971687 /nfs/dbraw/zinc/97/16/87/322971687.db2.gz WCENMVQGDPHBIJ-NEPJUHHUSA-N 0 1 241.325 3.499 20 0 BGADMN C[C@@H](NC[C@@H](C)Cc1ccccc1)C(C)(F)F ZINC000449416904 384301882 /nfs/dbraw/zinc/30/18/82/384301882.db2.gz WCENMVQGDPHBIJ-NWDGAFQWSA-N 0 1 241.325 3.499 20 0 BGADMN C[C@H](CN[C@@H](C)C(C)(F)F)Cc1ccccc1 ZINC000449416905 384300222 /nfs/dbraw/zinc/30/02/22/384300222.db2.gz WCENMVQGDPHBIJ-RYUDHWBXSA-N 0 1 241.325 3.499 20 0 BGADMN C[C@@H](CN[C@H](C)C(C)(F)F)Cc1ccccc1 ZINC000449416906 384300301 /nfs/dbraw/zinc/30/03/01/384300301.db2.gz WCENMVQGDPHBIJ-VXGBXAGGSA-N 0 1 241.325 3.499 20 0 BGADMN Cn1ccnc1[C@H]1N(CCC(C)(C)C)CC1(C)C ZINC000449416919 388200181 /nfs/dbraw/zinc/20/01/81/388200181.db2.gz WJELYBIVUOSUFI-GFCCVEGCSA-N 0 1 249.402 3.239 20 0 BGADMN Cn1ccnc1[C@@H]1N(CCC(C)(C)C)CC1(C)C ZINC000449416920 388199832 /nfs/dbraw/zinc/19/98/32/388199832.db2.gz WJELYBIVUOSUFI-LBPRGKRZSA-N 0 1 249.402 3.239 20 0 BGADMN C[C@H](CCC1CC1)N[C@@H](C)C(C)(F)F ZINC000449417294 388199483 /nfs/dbraw/zinc/19/94/83/388199483.db2.gz XPOWFYNVUYGYNI-BDAKNGLRSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H](N[C@@H](C)CCC1CC1)C(C)(F)F ZINC000449417295 388199925 /nfs/dbraw/zinc/19/99/25/388199925.db2.gz XPOWFYNVUYGYNI-DTWKUNHWSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@@H](CCC1CC1)N[C@@H](C)C(C)(F)F ZINC000449417296 201911509 /nfs/dbraw/zinc/91/15/09/201911509.db2.gz XPOWFYNVUYGYNI-IUCAKERBSA-N 0 1 205.292 3.198 20 0 BGADMN C[C@H](CCC1CC1)N[C@H](C)C(C)(F)F ZINC000449417297 388200109 /nfs/dbraw/zinc/20/01/09/388200109.db2.gz XPOWFYNVUYGYNI-RKDXNWHRSA-N 0 1 205.292 3.198 20 0 BGADMN Fc1ccc(/C=C/C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000449423312 388201909 /nfs/dbraw/zinc/20/19/09/388201909.db2.gz ATCJZKVDZWCBGG-BGTMTDRBSA-N 0 1 231.314 3.323 20 0 BGADMN Fc1ccc(/C=C\C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000449423313 388201935 /nfs/dbraw/zinc/20/19/35/388201935.db2.gz ATCJZKVDZWCBGG-DJYNDVHFSA-N 0 1 231.314 3.323 20 0 BGADMN Fc1ccc(/C=C\C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000449423314 388201567 /nfs/dbraw/zinc/20/15/67/388201567.db2.gz ATCJZKVDZWCBGG-OYADATRGSA-N 0 1 231.314 3.323 20 0 BGADMN Fc1ccc(/C=C/C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000449423315 388201634 /nfs/dbraw/zinc/20/16/34/388201634.db2.gz ATCJZKVDZWCBGG-YLSAJCSVSA-N 0 1 231.314 3.323 20 0 BGADMN Clc1ccsc1CN1CC[C@H]1C1CC1 ZINC000449423760 388201736 /nfs/dbraw/zinc/20/17/36/388201736.db2.gz CBOKNYFHWNPHPF-JTQLQIEISA-N 0 1 227.760 3.386 20 0 BGADMN Clc1ccsc1C[N@H+]1CC[C@H]1C1CC1 ZINC000449423760 388201733 /nfs/dbraw/zinc/20/17/33/388201733.db2.gz CBOKNYFHWNPHPF-JTQLQIEISA-N 0 1 227.760 3.386 20 0 BGADMN Clc1ccsc1CN1CC[C@@H]1C1CC1 ZINC000449423761 388202120 /nfs/dbraw/zinc/20/21/20/388202120.db2.gz CBOKNYFHWNPHPF-SNVBAGLBSA-N 0 1 227.760 3.386 20 0 BGADMN Clc1ccsc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000449423761 388202117 /nfs/dbraw/zinc/20/21/17/388202117.db2.gz CBOKNYFHWNPHPF-SNVBAGLBSA-N 0 1 227.760 3.386 20 0 BGADMN CSc1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000449424029 388201506 /nfs/dbraw/zinc/20/15/06/388201506.db2.gz JIBHCTHPRMJGJH-AWEZNQCLSA-N 0 1 233.380 3.393 20 0 BGADMN Cc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1F ZINC000449424093 388201557 /nfs/dbraw/zinc/20/15/57/388201557.db2.gz CKJCNGDCRDROKK-CYBMUJFWSA-N 0 1 219.303 3.118 20 0 BGADMN Cc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1F ZINC000449424094 388201531 /nfs/dbraw/zinc/20/15/31/388201531.db2.gz CKJCNGDCRDROKK-ZDUSSCGKSA-N 0 1 219.303 3.118 20 0 BGADMN CC(C)c1ncc(CN2CC[C@@H]2C2CC2)s1 ZINC000449424340 324139891 /nfs/dbraw/zinc/13/98/91/324139891.db2.gz DPOBZSIXXXKBSQ-GFCCVEGCSA-N 0 1 236.384 3.251 20 0 BGADMN CC(C)c1ncc(CN2CC[C@H]2C2CC2)s1 ZINC000449424343 324139955 /nfs/dbraw/zinc/13/99/55/324139955.db2.gz DPOBZSIXXXKBSQ-LBPRGKRZSA-N 0 1 236.384 3.251 20 0 BGADMN Fc1cccc2[nH]c(CN3CC[C@H]3C3CC3)cc21 ZINC000449424464 324139861 /nfs/dbraw/zinc/13/98/61/324139861.db2.gz DYVASQNHVMPTTK-HNNXBMFYSA-N 0 1 244.313 3.291 20 0 BGADMN Fc1cccc2[nH]c(CN3CC[C@@H]3C3CC3)cc21 ZINC000449424467 384321622 /nfs/dbraw/zinc/32/16/22/384321622.db2.gz DYVASQNHVMPTTK-OAHLLOKOSA-N 0 1 244.313 3.291 20 0 BGADMN Clc1ccc(CN2CC[C@H]2C2CC2)s1 ZINC000449426407 206097726 /nfs/dbraw/zinc/09/77/26/206097726.db2.gz PLNYSYAYLIVGQO-JTQLQIEISA-N 0 1 227.760 3.386 20 0 BGADMN Clc1ccc(CN2CC[C@@H]2C2CC2)s1 ZINC000449426408 206097534 /nfs/dbraw/zinc/09/75/34/206097534.db2.gz PLNYSYAYLIVGQO-SNVBAGLBSA-N 0 1 227.760 3.386 20 0 BGADMN Clc1csc(CN2CC[C@@H]2C2CC2)c1 ZINC000449427121 388202345 /nfs/dbraw/zinc/20/23/45/388202345.db2.gz NHQBDMLCPZTNCE-LLVKDONJSA-N 0 1 227.760 3.386 20 0 BGADMN Clc1csc(CN2CC[C@H]2C2CC2)c1 ZINC000449427122 388201752 /nfs/dbraw/zinc/20/17/52/388201752.db2.gz NHQBDMLCPZTNCE-NSHDSACASA-N 0 1 227.760 3.386 20 0 BGADMN CCN(Cc1ccc2ccccc2c1)C1COC1 ZINC000449427249 388201787 /nfs/dbraw/zinc/20/17/87/388201787.db2.gz RDLKGEDYMFICGS-UHFFFAOYSA-N 0 1 241.334 3.061 20 0 BGADMN Fc1ccc(/C=C/CN2CC[C@@H]2C2CC2)c(F)c1 ZINC000449427393 384376838 /nfs/dbraw/zinc/37/68/38/384376838.db2.gz NZPDGJXUIRMPAV-BGTMTDRBSA-N 0 1 249.304 3.462 20 0 BGADMN Fc1ccc(/C=C\CN2CC[C@@H]2C2CC2)c(F)c1 ZINC000449427394 384377622 /nfs/dbraw/zinc/37/76/22/384377622.db2.gz NZPDGJXUIRMPAV-DJYNDVHFSA-N 0 1 249.304 3.462 20 0 BGADMN Fc1ccc(/C=C\CN2CC[C@H]2C2CC2)c(F)c1 ZINC000449427395 384376777 /nfs/dbraw/zinc/37/67/77/384376777.db2.gz NZPDGJXUIRMPAV-OYADATRGSA-N 0 1 249.304 3.462 20 0 BGADMN Fc1ccc(/C=C/CN2CC[C@H]2C2CC2)c(F)c1 ZINC000449427396 384378136 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CC[C@H](C)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453053696 387973426 /nfs/dbraw/zinc/97/34/26/387973426.db2.gz GHLVNWXHHRBWMW-GXFFZTMASA-N 0 1 247.317 3.026 20 0 BGADMN CC[C@@H](C)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453053697 387973728 /nfs/dbraw/zinc/97/37/28/387973728.db2.gz GHLVNWXHHRBWMW-MFKMUULPSA-N 0 1 247.317 3.026 20 0 BGADMN CC[C@@H](C)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453053698 387973663 /nfs/dbraw/zinc/97/36/63/387973663.db2.gz GHLVNWXHHRBWMW-ZWNOBZJWSA-N 0 1 247.317 3.026 20 0 BGADMN CC[C@H](NCc1ccoc1C)c1ccncc1 ZINC000453074022 387978036 /nfs/dbraw/zinc/97/80/36/387978036.db2.gz BMQQXUKWAUVIKW-AWEZNQCLSA-N 0 1 230.311 3.224 20 0 BGADMN CC[C@@H](NCc1ccoc1C)c1ccncc1 ZINC000453074048 387978011 /nfs/dbraw/zinc/97/80/11/387978011.db2.gz BMQQXUKWAUVIKW-CQSZACIVSA-N 0 1 230.311 3.224 20 0 BGADMN CCn1cc(CN[C@H](C)c2csc(C)c2)cn1 ZINC000453148765 387997877 /nfs/dbraw/zinc/99/78/77/387997877.db2.gz RFWZGWHTZJFZGP-LLVKDONJSA-N 0 1 249.383 3.124 20 0 BGADMN CCn1cc(CN[C@@H](C)c2csc(C)c2)cn1 ZINC000453148767 387998246 /nfs/dbraw/zinc/99/82/46/387998246.db2.gz RFWZGWHTZJFZGP-NSHDSACASA-N 0 1 249.383 3.124 20 0 BGADMN CC(C)CNc1ccc2cnccc2c1 ZINC000453151436 387998747 /nfs/dbraw/zinc/99/87/47/387998747.db2.gz URSDKPKKPUMVSL-UHFFFAOYSA-N 0 1 200.285 3.303 20 0 BGADMN CC[C@@H](F)CNc1ccc2cnccc2c1 ZINC000453154658 387998876 /nfs/dbraw/zinc/99/88/76/387998876.db2.gz AEKSXCYLKOSFKA-GFCCVEGCSA-N 0 1 218.275 3.395 20 0 BGADMN CC[C@H](F)CNc1ccc2cnccc2c1 ZINC000453154662 387997968 /nfs/dbraw/zinc/99/79/68/387997968.db2.gz AEKSXCYLKOSFKA-LBPRGKRZSA-N 0 1 218.275 3.395 20 0 BGADMN COC(C)(C)CCNc1ccc2cnccc2c1 ZINC000453157512 388000683 /nfs/dbraw/zinc/00/06/83/388000683.db2.gz GHDWGWLMBUXHEL-UHFFFAOYSA-N 0 1 244.338 3.462 20 0 BGADMN c1cc2cc(NCC3CCC3)ccc2cn1 ZINC000453163320 202704827 /nfs/dbraw/zinc/70/48/27/202704827.db2.gz PZNMBQQBIUHHLH-UHFFFAOYSA-N 0 1 212.296 3.447 20 0 BGADMN c1cc2cc(NCCC3CC3)ccc2cn1 ZINC000453164054 387999789 /nfs/dbraw/zinc/99/97/89/387999789.db2.gz QMGJJKRHTPALEX-UHFFFAOYSA-N 0 1 212.296 3.447 20 0 BGADMN c1cc2cc(NCC[C@@H]3CCOC3)ccc2cn1 ZINC000453172989 388002067 /nfs/dbraw/zinc/00/20/67/388002067.db2.gz YDYUOPNRUFTZIP-GFCCVEGCSA-N 0 1 242.322 3.073 20 0 BGADMN c1cc2cc(NCC[C@H]3CCOC3)ccc2cn1 ZINC000453172990 388001262 /nfs/dbraw/zinc/00/12/62/388001262.db2.gz YDYUOPNRUFTZIP-LBPRGKRZSA-N 0 1 242.322 3.073 20 0 BGADMN C[C@@H]1CC[C@@H](C)[C@@H](NC2(C(F)F)CC2)C1 ZINC000453231411 388018048 /nfs/dbraw/zinc/01/80/48/388018048.db2.gz YEWKCGXZGZMUAD-BBBLOLIVSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@@H]1CC[C@H](C)[C@H](NC2(C(F)F)CC2)C1 ZINC000453231412 388017984 /nfs/dbraw/zinc/01/79/84/388017984.db2.gz YEWKCGXZGZMUAD-KXUCPTDWSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@@H]1CC[C@@H](C)[C@H](NC2(C(F)F)CC2)C1 ZINC000453231413 388017641 /nfs/dbraw/zinc/01/76/41/388017641.db2.gz YEWKCGXZGZMUAD-OPRDCNLKSA-N 0 1 217.303 3.198 20 0 BGADMN C[C@@H]1CC[C@H](C)[C@@H](NC2(C(F)F)CC2)C1 ZINC000453231414 388017275 /nfs/dbraw/zinc/01/72/75/388017275.db2.gz YEWKCGXZGZMUAD-UTLUCORTSA-N 0 1 217.303 3.198 20 0 BGADMN CC[C@H](N[C@H]1CCCC[C@@H]1C)C(F)F ZINC000453248112 388022379 /nfs/dbraw/zinc/02/23/79/388022379.db2.gz OJEPZGFBPNCTBO-GUBZILKMSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@@H]1CCCC[C@H]1C)C(F)F ZINC000453248117 388022326 /nfs/dbraw/zinc/02/23/26/388022326.db2.gz OJEPZGFBPNCTBO-KXUCPTDWSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@@H]1CCCC[C@@H]1C)C(F)F ZINC000453248120 388022111 /nfs/dbraw/zinc/02/21/11/388022111.db2.gz OJEPZGFBPNCTBO-LPEHRKFASA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@H](N[C@H]1CCCC[C@H]1C)C(F)F ZINC000453248124 388021620 /nfs/dbraw/zinc/02/16/20/388021620.db2.gz OJEPZGFBPNCTBO-UTLUCORTSA-N 0 1 205.292 3.198 20 0 BGADMN CC[C@@H](N[C@@H]1CCC12CCCC2)C(F)F ZINC000453253461 388026664 /nfs/dbraw/zinc/02/66/64/388026664.db2.gz XFUFMVVAJIRSQD-NXEZZACHSA-N 0 1 217.303 3.343 20 0 BGADMN CC[C@H](N[C@H]1CCC12CCCC2)C(F)F ZINC000453253465 388026449 /nfs/dbraw/zinc/02/64/49/388026449.db2.gz XFUFMVVAJIRSQD-UWVGGRQHSA-N 0 1 217.303 3.343 20 0 BGADMN CC[C@H](N[C@@H]1CCC12CCCC2)C(F)F ZINC000453253468 388026444 /nfs/dbraw/zinc/02/64/44/388026444.db2.gz XFUFMVVAJIRSQD-VHSXEESVSA-N 0 1 217.303 3.343 20 0 BGADMN CC[C@@H](N[C@H]1CCC12CCCC2)C(F)F ZINC000453253472 388027097 /nfs/dbraw/zinc/02/70/97/388027097.db2.gz XFUFMVVAJIRSQD-ZJUUUORDSA-N 0 1 217.303 3.343 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@@H](C)C[C@H]1C)C(F)F ZINC000453254286 388026625 /nfs/dbraw/zinc/02/66/25/388026625.db2.gz YCKNXWVMIMLWAZ-CHWFTXMASA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@@H](C)C[C@@H]1C)C(F)F ZINC000453254288 386285253 /nfs/dbraw/zinc/28/52/53/386285253.db2.gz YCKNXWVMIMLWAZ-VPOLOUISSA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@H](C)C[C@@H]1C)C(F)F ZINC000453254291 386285263 /nfs/dbraw/zinc/28/52/63/386285263.db2.gz YCKNXWVMIMLWAZ-XWLWVQCSSA-N 0 1 219.319 3.444 20 0 BGADMN CC[C@H](N[C@@H]1CC[C@H](C)C[C@H]1C)C(F)F ZINC000453254293 386283823 /nfs/dbraw/zinc/28/38/23/386283823.db2.gz YCKNXWVMIMLWAZ-ZRUFSTJUSA-N 0 1 219.319 3.444 20 0 BGADMN Cc1cc([C@@H](C)NCc2ccnc(C)c2)oc1C ZINC000453289713 388035811 /nfs/dbraw/zinc/03/58/11/388035811.db2.gz MKPOAONIFATJQL-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc([C@H](C)NCc2ccnc(C)c2)oc1C ZINC000453289719 388035605 /nfs/dbraw/zinc/03/56/05/388035605.db2.gz MKPOAONIFATJQL-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN C[C@@H](N[C@@H]1CCC12CCCC2)C(C)(F)F ZINC000453295043 388037035 /nfs/dbraw/zinc/03/70/35/388037035.db2.gz PZQDHYKVVLETEN-NXEZZACHSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](N[C@H]1CCC12CCCC2)C(C)(F)F ZINC000453295046 388036498 /nfs/dbraw/zinc/03/64/98/388036498.db2.gz PZQDHYKVVLETEN-UWVGGRQHSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@H](N[C@@H]1CCC12CCCC2)C(C)(F)F ZINC000453295049 202730543 /nfs/dbraw/zinc/73/05/43/202730543.db2.gz PZQDHYKVVLETEN-VHSXEESVSA-N 0 1 217.303 3.343 20 0 BGADMN C[C@@H](N[C@H]1CCC12CCCC2)C(C)(F)F ZINC000453295051 388036674 /nfs/dbraw/zinc/03/66/74/388036674.db2.gz PZQDHYKVVLETEN-ZJUUUORDSA-N 0 1 217.303 3.343 20 0 BGADMN CCc1ccc([C@@H](C)NCc2ccnc(C)c2)o1 ZINC000453295635 388037157 /nfs/dbraw/zinc/03/71/57/388037157.db2.gz RTNGAKXTSYPVJU-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ccc([C@H](C)NCc2ccnc(C)c2)o1 ZINC000453295639 386364948 /nfs/dbraw/zinc/36/49/48/386364948.db2.gz RTNGAKXTSYPVJU-LBPRGKRZSA-N 0 1 244.338 3.396 20 0 BGADMN CC[C@@H](NCc1cc(C)cs1)c1nccn1C ZINC000453314798 388043726 /nfs/dbraw/zinc/04/37/26/388043726.db2.gz ITFUOKJZZLDMJR-GFCCVEGCSA-N 0 1 249.383 3.031 20 0 BGADMN CC[C@H](NCc1cc(C)cs1)c1nccn1C ZINC000453314799 388043255 /nfs/dbraw/zinc/04/32/55/388043255.db2.gz ITFUOKJZZLDMJR-LBPRGKRZSA-N 0 1 249.383 3.031 20 0 BGADMN CC/C=C\CN[C@@H](C)c1ccc(Cl)cn1 ZINC000453325684 388048339 /nfs/dbraw/zinc/04/83/39/388048339.db2.gz RKPDMQWSDQICCK-LWTINBJPSA-N 0 1 224.735 3.352 20 0 BGADMN CC/C=C\CN[C@H](C)c1ccc(Cl)cn1 ZINC000453325688 388047880 /nfs/dbraw/zinc/04/78/80/388047880.db2.gz RKPDMQWSDQICCK-UMCURTJPSA-N 0 1 224.735 3.352 20 0 BGADMN CC[C@@H](NCc1cc(C)cs1)c1ccn(C)n1 ZINC000453327615 388048364 /nfs/dbraw/zinc/04/83/64/388048364.db2.gz WGZBZOALNAYOKH-GFCCVEGCSA-N 0 1 249.383 3.031 20 0 BGADMN CC[C@H](NCc1cc(C)cs1)c1ccn(C)n1 ZINC000453327616 388047667 /nfs/dbraw/zinc/04/76/67/388047667.db2.gz WGZBZOALNAYOKH-LBPRGKRZSA-N 0 1 249.383 3.031 20 0 BGADMN CCc1ccc([C@@H](C)NCc2cnccc2C)o1 ZINC000453330764 388048842 /nfs/dbraw/zinc/04/88/42/388048842.db2.gz SLTIFRLDZAYUAI-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ccc([C@H](C)NCc2cnccc2C)o1 ZINC000453330765 388049149 /nfs/dbraw/zinc/04/91/49/388049149.db2.gz SLTIFRLDZAYUAI-LBPRGKRZSA-N 0 1 244.338 3.396 20 0 BGADMN Cc1cc([C@@H](C)NCc2cnccc2C)oc1C ZINC000453333833 388049348 /nfs/dbraw/zinc/04/93/48/388049348.db2.gz WLJCVMQXQBXYJD-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc([C@H](C)NCc2cnccc2C)oc1C ZINC000453333835 388049854 /nfs/dbraw/zinc/04/98/54/388049854.db2.gz WLJCVMQXQBXYJD-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN CCc1ncc(CN[C@@H](CC)c2ccccc2)o1 ZINC000453340512 386445532 /nfs/dbraw/zinc/44/55/32/386445532.db2.gz BVQYHHKOIQDWCO-AWEZNQCLSA-N 0 1 244.338 3.478 20 0 BGADMN CCc1ncc(CN[C@H](CC)c2ccccc2)o1 ZINC000453340513 386449751 /nfs/dbraw/zinc/44/97/51/386449751.db2.gz BVQYHHKOIQDWCO-CQSZACIVSA-N 0 1 244.338 3.478 20 0 BGADMN CCc1ncc(CN[C@H](C)c2cccc(C)c2)o1 ZINC000453341601 388052423 /nfs/dbraw/zinc/05/24/23/388052423.db2.gz CASWREDEBIPZJH-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ncc(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000453341603 388051986 /nfs/dbraw/zinc/05/19/86/388051986.db2.gz CASWREDEBIPZJH-LBPRGKRZSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ncc(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000453342701 388052361 /nfs/dbraw/zinc/05/23/61/388052361.db2.gz CQNOPBAHXSWSEO-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ncc(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000453342702 202744887 /nfs/dbraw/zinc/74/48/87/202744887.db2.gz CQNOPBAHXSWSEO-LBPRGKRZSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ncc(CN[C@H](C)c2ccccc2C)o1 ZINC000453351606 388055366 /nfs/dbraw/zinc/05/53/66/388055366.db2.gz GLNVTYIMMWZXMP-GFCCVEGCSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ncc(CN[C@@H](C)c2ccccc2C)o1 ZINC000453351607 388054686 /nfs/dbraw/zinc/05/46/86/388054686.db2.gz GLNVTYIMMWZXMP-LBPRGKRZSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1ncc(CN[C@H](C)c2cccs2)o1 ZINC000453365936 388061466 /nfs/dbraw/zinc/06/14/66/388061466.db2.gz LWRSBICIJTYABZ-SECBINFHSA-N 0 1 236.340 3.149 20 0 BGADMN CCc1ncc(CN[C@@H](C)c2cccs2)o1 ZINC000453365938 388060945 /nfs/dbraw/zinc/06/09/45/388060945.db2.gz LWRSBICIJTYABZ-VIFPVBQESA-N 0 1 236.340 3.149 20 0 BGADMN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cc(C)on1 ZINC000453424365 388080671 /nfs/dbraw/zinc/08/06/71/388080671.db2.gz GJUBTRAJHKRQPL-FPMFFAJLSA-N 0 1 236.359 3.458 20 0 BGADMN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000453424367 388080667 /nfs/dbraw/zinc/08/06/67/388080667.db2.gz GJUBTRAJHKRQPL-IACUBPJLSA-N 0 1 236.359 3.458 20 0 BGADMN 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BGADMN CCc1cccc(CN2CCO[C@@](C)(CC)C2)c1 ZINC000470007838 529169512 /nfs/dbraw/zinc/16/95/12/529169512.db2.gz GFCWKJSSIDYWLM-INIZCTEOSA-N 0 1 247.382 3.250 20 0 BGADMN CCc1cccc(CN2CCO[C@](C)(CC)C2)c1 ZINC000470007839 529169432 /nfs/dbraw/zinc/16/94/32/529169432.db2.gz GFCWKJSSIDYWLM-MRXNPFEDSA-N 0 1 247.382 3.250 20 0 BGADMN CCC(C)(C)CCN(C)[C@H](C)C(=O)OC(C)C ZINC000470149896 528500113 /nfs/dbraw/zinc/50/01/13/528500113.db2.gz DWVRKRFEHNHPEK-GFCCVEGCSA-N 0 1 243.391 3.085 20 0 BGADMN CCC(C)(C)CCN(C)[C@@H](C)C(=O)OC(C)C ZINC000470149900 528499940 /nfs/dbraw/zinc/49/99/40/528499940.db2.gz DWVRKRFEHNHPEK-LBPRGKRZSA-N 0 1 243.391 3.085 20 0 BGADMN Cc1ccc2nc(-c3cc(O)cc(F)c3)[nH]c2c1 ZINC000471428219 534486911 /nfs/dbraw/zinc/48/69/11/534486911.db2.gz RFSVSJPKKNIEDS-UHFFFAOYSA-N 0 1 242.253 3.383 20 0 BGADMN Cc1cccc2nc(-c3cc(O)cc(F)c3)[nH]c21 ZINC000471436897 225066501 /nfs/dbraw/zinc/06/65/01/225066501.db2.gz PUDMTTAVHAAAHO-UHFFFAOYSA-N 0 1 242.253 3.383 20 0 BGADMN CCCC1(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000471761306 528034286 /nfs/dbraw/zinc/03/42/86/528034286.db2.gz SWCHAIQOOLFJSI-UHFFFAOYSA-N 0 1 243.310 3.082 20 0 BGADMN CCCOc1cccc(CNC(C)(C)CF)c1 ZINC000472150858 528755263 /nfs/dbraw/zinc/75/52/63/528755263.db2.gz BTNXBTJXFOWWHW-UHFFFAOYSA-N 0 1 239.334 3.313 20 0 BGADMN CCC(C)(C)CCN(C)Cc1nccs1 ZINC000472347262 528500248 /nfs/dbraw/zinc/50/02/48/528500248.db2.gz KECYHKDJSWWAEB-UHFFFAOYSA-N 0 1 226.389 3.401 20 0 BGADMN CC(C)C[C@@H](CN1CCOCC1)c1ccccc1 ZINC000474101089 528316216 /nfs/dbraw/zinc/31/62/16/528316216.db2.gz ULZMTAJIROQXGB-INIZCTEOSA-N 0 1 247.382 3.149 20 0 BGADMN CC(C)C[C@H](CN1CCOCC1)c1ccccc1 ZINC000474101090 528519695 /nfs/dbraw/zinc/51/96/95/528519695.db2.gz ULZMTAJIROQXGB-MRXNPFEDSA-N 0 1 247.382 3.149 20 0 BGADMN CCc1cccc(F)c1CNC1CC(F)(F)C1 ZINC000475196144 529173749 /nfs/dbraw/zinc/17/37/49/529173749.db2.gz JDXPQOUZLXCUKZ-UHFFFAOYSA-N 0 1 243.272 3.275 20 0 BGADMN CCCc1cccc(CN2CCOCC2(C)C)c1 ZINC000475499695 528634320 /nfs/dbraw/zinc/63/43/20/528634320.db2.gz ZSXFXYXNUCGQBO-UHFFFAOYSA-N 0 1 247.382 3.250 20 0 BGADMN CCc1cccc(Cl)c1CN(C)C1CC1 ZINC000475564952 529170450 /nfs/dbraw/zinc/17/04/50/529170450.db2.gz UXMZTBXDUHUPFP-UHFFFAOYSA-N 0 1 223.747 3.497 20 0 BGADMN CCc1cccc(Cl)c1CN(C)CC ZINC000475582580 529171382 /nfs/dbraw/zinc/17/13/82/529171382.db2.gz KFMBTCZGWRSDNP-UHFFFAOYSA-N 0 1 211.736 3.354 20 0 BGADMN CN(Cc1ccn(C2CCCC2)n1)CC(C)(C)C ZINC000477168208 530010258 /nfs/dbraw/zinc/01/02/58/530010258.db2.gz PPNQYZIQTGXCKT-UHFFFAOYSA-N 0 1 249.402 3.476 20 0 BGADMN C[C@@H]1C[C@@H](C)N(Cc2ccn(C3CCCC3)n2)C1 ZINC000477293212 225157868 /nfs/dbraw/zinc/15/78/68/225157868.db2.gz PBKHXFZFFSQFOG-CHWSQXEVSA-N 0 1 247.386 3.229 20 0 BGADMN C[C@@H]1C[C@H](C)N(Cc2ccn(C3CCCC3)n2)C1 ZINC000477293220 225157917 /nfs/dbraw/zinc/15/79/17/225157917.db2.gz PBKHXFZFFSQFOG-OLZOCXBDSA-N 0 1 247.386 3.229 20 0 BGADMN C[C@@H]1C[C@H](C)CN1Cc1ccn(C2CCCC2)n1 ZINC000477293221 533806422 /nfs/dbraw/zinc/80/64/22/533806422.db2.gz PBKHXFZFFSQFOG-QWHCGFSZSA-N 0 1 247.386 3.229 20 0 BGADMN C[C@H]1C[C@H](C)N(Cc2ccn(C3CCCC3)n2)C1 ZINC000477293222 225158729 /nfs/dbraw/zinc/15/87/29/225158729.db2.gz PBKHXFZFFSQFOG-STQMWFEESA-N 0 1 247.386 3.229 20 0 BGADMN Cc1ccc2nc(SCC3CC3)[nH]c2c1 ZINC000477536197 534507944 /nfs/dbraw/zinc/50/79/44/534507944.db2.gz HXLVSLLOGCSZGU-UHFFFAOYSA-N 0 1 218.325 3.373 20 0 BGADMN CCCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000478742761 528745091 /nfs/dbraw/zinc/74/50/91/528745091.db2.gz DMMMMDBFRICVJL-UHFFFAOYSA-N 0 1 247.367 3.288 20 0 BGADMN CCCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000478742761 528745086 /nfs/dbraw/zinc/74/50/86/528745086.db2.gz DMMMMDBFRICVJL-UHFFFAOYSA-N 0 1 247.367 3.288 20 0 BGADMN CCC[C@@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000481047065 528900465 /nfs/dbraw/zinc/90/04/65/528900465.db2.gz ZOVWMJKMCQBVPI-MRVPVSSYSA-N 0 1 227.377 3.383 20 0 BGADMN CCC[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000481047065 528900460 /nfs/dbraw/zinc/90/04/60/528900460.db2.gz ZOVWMJKMCQBVPI-MRVPVSSYSA-N 0 1 227.377 3.383 20 0 BGADMN CCC[C@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000481047066 528068027 /nfs/dbraw/zinc/06/80/27/528068027.db2.gz ZOVWMJKMCQBVPI-QMMMGPOBSA-N 0 1 227.377 3.383 20 0 BGADMN CCC[C@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000481047066 528068023 /nfs/dbraw/zinc/06/80/23/528068023.db2.gz ZOVWMJKMCQBVPI-QMMMGPOBSA-N 0 1 227.377 3.383 20 0 BGADMN Cc1cc(C)cc(CN2CCO[C@H](C(C)C)C2)c1 ZINC000481271103 225214075 /nfs/dbraw/zinc/21/40/75/225214075.db2.gz SGMKVVFGMHTFRG-INIZCTEOSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1cc(C)cc(CN2CCO[C@@H](C(C)C)C2)c1 ZINC000481271105 225214039 /nfs/dbraw/zinc/21/40/39/225214039.db2.gz SGMKVVFGMHTFRG-MRXNPFEDSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(C)c(CN2CCO[C@H](C(C)C)C2)c1 ZINC000481321266 533668988 /nfs/dbraw/zinc/66/89/88/533668988.db2.gz RBXKTZZGBWGSKS-INIZCTEOSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(C)c(CN2CCO[C@@H](C(C)C)C2)c1 ZINC000481321268 533667727 /nfs/dbraw/zinc/66/77/27/533667727.db2.gz RBXKTZZGBWGSKS-MRXNPFEDSA-N 0 1 247.382 3.160 20 0 BGADMN CCc1ccc(CN2CCO[C@H](C(C)C)C2)cc1 ZINC000481525052 324152813 /nfs/dbraw/zinc/15/28/13/324152813.db2.gz AHYWGGJLFYHDSE-INIZCTEOSA-N 0 1 247.382 3.106 20 0 BGADMN CCc1ccc(CN2CCO[C@@H](C(C)C)C2)cc1 ZINC000481525054 362640239 /nfs/dbraw/zinc/64/02/39/362640239.db2.gz AHYWGGJLFYHDSE-MRXNPFEDSA-N 0 1 247.382 3.106 20 0 BGADMN CCCc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000481685171 528634243 /nfs/dbraw/zinc/63/42/43/528634243.db2.gz GQDKCEHHERAFRQ-OKILXGFUSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000481888514 528634368 /nfs/dbraw/zinc/63/43/68/528634368.db2.gz DTYOSLTUUFIYGC-KBPBESRZSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000481888515 528633740 /nfs/dbraw/zinc/63/37/40/528633740.db2.gz DTYOSLTUUFIYGC-KGLIPLIRSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000481888516 528634696 /nfs/dbraw/zinc/63/46/96/528634696.db2.gz DTYOSLTUUFIYGC-UONOGXRCSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000481888517 528635281 /nfs/dbraw/zinc/63/52/81/528635281.db2.gz DTYOSLTUUFIYGC-ZIAGYGMSSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2CCOC[C@@H]2CC)c1 ZINC000481891715 528634971 /nfs/dbraw/zinc/63/49/71/528634971.db2.gz KAFRHBPNHKLOCA-INIZCTEOSA-N 0 1 247.382 3.250 20 0 BGADMN CCCc1cccc(CN2CCOC[C@H]2CC)c1 ZINC000481891717 528634857 /nfs/dbraw/zinc/63/48/57/528634857.db2.gz KAFRHBPNHKLOCA-MRXNPFEDSA-N 0 1 247.382 3.250 20 0 BGADMN CCCc1cccc(CN2CCO[C@@H](CC)C2)c1 ZINC000481914738 528634810 /nfs/dbraw/zinc/63/48/10/528634810.db2.gz BBGYLZXDIIMAOJ-INIZCTEOSA-N 0 1 247.382 3.250 20 0 BGADMN CCCc1cccc(CN2CCO[C@H](CC)C2)c1 ZINC000481914739 528634798 /nfs/dbraw/zinc/63/47/98/528634798.db2.gz BBGYLZXDIIMAOJ-MRXNPFEDSA-N 0 1 247.382 3.250 20 0 BGADMN CCCc1cccc(CN2CCOC(C)(C)C2)c1 ZINC000481937501 528634415 /nfs/dbraw/zinc/63/44/15/528634415.db2.gz ZWEQPXIDLOWDRY-UHFFFAOYSA-N 0 1 247.382 3.250 20 0 BGADMN CCCc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000481989929 528633779 /nfs/dbraw/zinc/63/37/79/528633779.db2.gz JTWPBXWZDVOKDH-KBPBESRZSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2CCO[C@@H](C)[C@H]2C)c1 ZINC000481989930 528635016 /nfs/dbraw/zinc/63/50/16/528635016.db2.gz JTWPBXWZDVOKDH-KGLIPLIRSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000481989931 528634836 /nfs/dbraw/zinc/63/48/36/528634836.db2.gz JTWPBXWZDVOKDH-UONOGXRCSA-N 0 1 247.382 3.248 20 0 BGADMN CCCc1cccc(CN2CCO[C@H](C)[C@H]2C)c1 ZINC000481989932 528634714 /nfs/dbraw/zinc/63/47/14/528634714.db2.gz JTWPBXWZDVOKDH-ZIAGYGMSSA-N 0 1 247.382 3.248 20 0 BGADMN C[C@H](Cc1ccccc1)CN1CCC=C(F)C1 ZINC000482149692 225223175 /nfs/dbraw/zinc/22/31/75/225223175.db2.gz WAWVUBOHFFICKQ-CYBMUJFWSA-N 0 1 233.330 3.424 20 0 BGADMN C[C@@H](Cc1ccccc1)CN1CCC=C(F)C1 ZINC000482149693 534246035 /nfs/dbraw/zinc/24/60/35/534246035.db2.gz WAWVUBOHFFICKQ-ZDUSSCGKSA-N 0 1 233.330 3.424 20 0 BGADMN COc1ccc(CN2CCC(C)=C(C)C2)cc1F ZINC000482456716 533554052 /nfs/dbraw/zinc/55/40/52/533554052.db2.gz IWSYYJQPJPEFKH-UHFFFAOYSA-N 0 1 249.329 3.376 20 0 BGADMN CC[C@@]1(C)COCCN1Cc1ccc(C)c(C)c1 ZINC000482517721 529534079 /nfs/dbraw/zinc/53/40/79/529534079.db2.gz FDHXPGLROHFTMM-INIZCTEOSA-N 0 1 247.382 3.304 20 0 BGADMN CC[C@]1(C)COCCN1Cc1ccc(C)c(C)c1 ZINC000482517722 529409240 /nfs/dbraw/zinc/40/92/40/529409240.db2.gz FDHXPGLROHFTMM-MRXNPFEDSA-N 0 1 247.382 3.304 20 0 BGADMN CC[C@@]1(C)COCCN1C/C=C\c1ccccc1 ZINC000482525378 529533461 /nfs/dbraw/zinc/53/34/61/529533461.db2.gz IHJRULCXAKKSAP-BJIFSAINSA-N 0 1 245.366 3.201 20 0 BGADMN CC[C@]1(C)COCCN1C/C=C\c1ccccc1 ZINC000482525379 529408568 /nfs/dbraw/zinc/40/85/68/529408568.db2.gz IHJRULCXAKKSAP-BSDKJSHOSA-N 0 1 245.366 3.201 20 0 BGADMN CC[C@@]1(C)COCCN1C/C=C/c1ccccc1 ZINC000482525380 529533337 /nfs/dbraw/zinc/53/33/37/529533337.db2.gz IHJRULCXAKKSAP-JCVNQNCUSA-N 0 1 245.366 3.201 20 0 BGADMN CC[C@]1(C)COCCN1C/C=C/c1ccccc1 ZINC000482525381 529408452 /nfs/dbraw/zinc/40/84/52/529408452.db2.gz IHJRULCXAKKSAP-OJXHRBAXSA-N 0 1 245.366 3.201 20 0 BGADMN CC(C)CCN1CCc2c(F)ccc(F)c2C1 ZINC000483231086 527726164 /nfs/dbraw/zinc/72/61/64/527726164.db2.gz IDBYIGFJLOJCKV-UHFFFAOYSA-N 0 1 239.309 3.369 20 0 BGADMN CC1(C)[C@@H]2CN(Cc3ccsc3Cl)C[C@@H]21 ZINC000483275819 527850022 /nfs/dbraw/zinc/85/00/22/527850022.db2.gz AXVDBTATRBDMDM-AOOOYVTPSA-N 0 1 241.787 3.489 20 0 BGADMN CC1=C(C)CN(Cc2nc3ccccc3o2)CC1 ZINC000483339508 528089881 /nfs/dbraw/zinc/08/98/81/528089881.db2.gz MNLRGVCCUFUINS-UHFFFAOYSA-N 0 1 242.322 3.370 20 0 BGADMN CCc1ccc([C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000483442034 529716502 /nfs/dbraw/zinc/71/65/02/529716502.db2.gz TZMAJSWTBGMNQI-INIZCTEOSA-N 0 1 247.382 3.278 20 0 BGADMN CCc1ccc([C@H]2CN(CC(C)C)CCO2)cc1 ZINC000483442035 529729157 /nfs/dbraw/zinc/72/91/57/529729157.db2.gz TZMAJSWTBGMNQI-MRXNPFEDSA-N 0 1 247.382 3.278 20 0 BGADMN CC(C)CCN1CCc2c(F)cc(F)cc2C1 ZINC000483518479 527727435 /nfs/dbraw/zinc/72/74/35/527727435.db2.gz WOJJHWAJTIYQFN-UHFFFAOYSA-N 0 1 239.309 3.369 20 0 BGADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CC(C)(C)C ZINC000483583835 529624572 /nfs/dbraw/zinc/62/45/72/529624572.db2.gz PGAVARRBAWTHIX-LLVKDONJSA-N 0 1 243.391 3.085 20 0 BGADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CC(C)(C)C ZINC000483583836 529295021 /nfs/dbraw/zinc/29/50/21/529295021.db2.gz PGAVARRBAWTHIX-NSHDSACASA-N 0 1 243.391 3.085 20 0 BGADMN CCCCN1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000484358439 528485775 /nfs/dbraw/zinc/48/57/75/528485775.db2.gz SEBORBNCGNWLGR-INIZCTEOSA-N 0 1 247.382 3.422 20 0 BGADMN CCCCN1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000484358440 528486105 /nfs/dbraw/zinc/48/61/05/528486105.db2.gz SEBORBNCGNWLGR-MRXNPFEDSA-N 0 1 247.382 3.422 20 0 BGADMN FC(F)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000485303999 225252317 /nfs/dbraw/zinc/25/23/17/225252317.db2.gz OZJFWIUBWOMAFB-CHWSQXEVSA-N 0 1 239.309 3.253 20 0 BGADMN FC(F)CN[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000485304003 225252816 /nfs/dbraw/zinc/25/28/16/225252816.db2.gz OZJFWIUBWOMAFB-OLZOCXBDSA-N 0 1 239.309 3.253 20 0 BGADMN FC(F)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000485304005 225252551 /nfs/dbraw/zinc/25/25/51/225252551.db2.gz OZJFWIUBWOMAFB-QWHCGFSZSA-N 0 1 239.309 3.253 20 0 BGADMN FC(F)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000485304006 225253586 /nfs/dbraw/zinc/25/35/86/225253586.db2.gz OZJFWIUBWOMAFB-STQMWFEESA-N 0 1 239.309 3.253 20 0 BGADMN CCOc1c(Cl)cccc1CN1CCCC1 ZINC000486932908 528177663 /nfs/dbraw/zinc/17/76/63/528177663.db2.gz DOPSIZQDADACJF-UHFFFAOYSA-N 0 1 239.746 3.335 20 0 BGADMN Cc1ccc([C@@H](C)NC/C=C\c2ccncc2)o1 ZINC000486978186 225277650 /nfs/dbraw/zinc/27/76/50/225277650.db2.gz YPENDJAUNRCXPZ-DHCBQETCSA-N 0 1 242.322 3.347 20 0 BGADMN Cc1ccc([C@@H](C)NC/C=C/c2ccncc2)o1 ZINC000486978187 225278609 /nfs/dbraw/zinc/27/86/09/225278609.db2.gz YPENDJAUNRCXPZ-ITDFMYJTSA-N 0 1 242.322 3.347 20 0 BGADMN Cc1ccc([C@H](C)NC/C=C/c2ccncc2)o1 ZINC000486978188 225279049 /nfs/dbraw/zinc/27/90/49/225279049.db2.gz YPENDJAUNRCXPZ-OOPCZODUSA-N 0 1 242.322 3.347 20 0 BGADMN Cc1ccc([C@H](C)NC/C=C\c2ccncc2)o1 ZINC000486978189 225277781 /nfs/dbraw/zinc/27/77/81/225277781.db2.gz YPENDJAUNRCXPZ-SCOBNMCVSA-N 0 1 242.322 3.347 20 0 BGADMN CC(C)CCN1CCc2ccc(F)c(F)c2C1 ZINC000487140746 527727619 /nfs/dbraw/zinc/72/76/19/527727619.db2.gz UIIZFEZZDGMOEN-UHFFFAOYSA-N 0 1 239.309 3.369 20 0 BGADMN CC(C)c1ccc(CSCc2c[nH]nn2)cc1 ZINC000487148105 528101718 /nfs/dbraw/zinc/10/17/18/528101718.db2.gz SPARSHGRGYJRHR-UHFFFAOYSA-N 0 1 247.367 3.362 20 0 BGADMN CCCCN1CCc2ccc(F)c(F)c2C1 ZINC000487168904 528486087 /nfs/dbraw/zinc/48/60/87/528486087.db2.gz DEXQJZXXBXUWLI-UHFFFAOYSA-N 0 1 225.282 3.123 20 0 BGADMN CCC[C@@]1(C)CCCN(Cc2cc(C)n(C)n2)C1 ZINC000487400293 527933548 /nfs/dbraw/zinc/93/35/48/527933548.db2.gz TWNPRGGXMIZMPY-HNNXBMFYSA-N 0 1 249.402 3.131 20 0 BGADMN CCC[C@]1(C)CCCN(Cc2cc(C)n(C)n2)C1 ZINC000487400295 528501046 /nfs/dbraw/zinc/50/10/46/528501046.db2.gz TWNPRGGXMIZMPY-OAHLLOKOSA-N 0 1 249.402 3.131 20 0 BGADMN Cc1cc(CN(C)CCC2CCCCC2)nn1C ZINC000487411567 229179464 /nfs/dbraw/zinc/17/94/64/229179464.db2.gz PMISLACOHVLHLP-UHFFFAOYSA-N 0 1 249.402 3.131 20 0 BGADMN CCOc1ccc(CNC(C)(C)CF)cc1F ZINC000487563567 528455363 /nfs/dbraw/zinc/45/53/63/528455363.db2.gz WQYSVVVUGFHTFA-UHFFFAOYSA-N 0 1 243.297 3.062 20 0 BGADMN CCc1cccc(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC000488198407 529167880 /nfs/dbraw/zinc/16/78/80/529167880.db2.gz VHJLAKGDJVTXJL-ZDUSSCGKSA-N 0 1 247.382 3.248 20 0 BGADMN CCCC(CCC)SCc1n[nH]c(C)n1 ZINC000488220424 528001864 /nfs/dbraw/zinc/00/18/64/528001864.db2.gz KJHAADGKMLACNX-UHFFFAOYSA-N 0 1 227.377 3.315 20 0 BGADMN CC[C@@H](C)CSCc1n[nH]c(C(C)C)n1 ZINC000488227267 529332750 /nfs/dbraw/zinc/33/27/50/529332750.db2.gz BAPXLAFXEPJYLW-SECBINFHSA-N 0 1 227.377 3.207 20 0 BGADMN CC[C@H](C)CSCc1n[nH]c(C(C)C)n1 ZINC000488227268 529674687 /nfs/dbraw/zinc/67/46/87/529674687.db2.gz BAPXLAFXEPJYLW-VIFPVBQESA-N 0 1 227.377 3.207 20 0 BGADMN CCC(CC)SCc1n[nH]c(C(C)C)n1 ZINC000488236156 528808796 /nfs/dbraw/zinc/80/87/96/528808796.db2.gz WFJJWUFRRGITMT-UHFFFAOYSA-N 0 1 227.377 3.350 20 0 BGADMN Cc1nc(CSCc2cc(C)cc(C)c2)n[nH]1 ZINC000488240100 534402333 /nfs/dbraw/zinc/40/23/33/534402333.db2.gz ZYUZHNSCSTZEQY-UHFFFAOYSA-N 0 1 247.367 3.163 20 0 BGADMN CCc1ccc(CN2CC(C)(C)OC[C@@H]2C)cc1 ZINC000488242507 529637988 /nfs/dbraw/zinc/63/79/88/529637988.db2.gz IDGKARCRNKEDIA-ZDUSSCGKSA-N 0 1 247.382 3.248 20 0 BGADMN CC[C@@H](SCc1n[nH]c(C)n1)c1ccccc1 ZINC000488244255 529253319 /nfs/dbraw/zinc/25/33/19/529253319.db2.gz BTXFXFIOODRUKH-GFCCVEGCSA-N 0 1 247.367 3.498 20 0 BGADMN CC[C@H](SCc1n[nH]c(C)n1)c1ccccc1 ZINC000488244256 529175503 /nfs/dbraw/zinc/17/55/03/529175503.db2.gz BTXFXFIOODRUKH-LBPRGKRZSA-N 0 1 247.367 3.498 20 0 BGADMN C[C@H]1COC(C)(C)CN1C/C=C/c1ccccc1 ZINC000488253065 534019265 /nfs/dbraw/zinc/01/92/65/534019265.db2.gz PEIRXNZSIJSATB-RNVIBTMRSA-N 0 1 245.366 3.199 20 0 BGADMN C[C@H]1COC(C)(C)CN1C/C=C\c1ccccc1 ZINC000488253066 534018416 /nfs/dbraw/zinc/01/84/16/534018416.db2.gz PEIRXNZSIJSATB-YHAOYDPOSA-N 0 1 245.366 3.199 20 0 BGADMN CC(C)c1nc(CSC2CCCCC2)n[nH]1 ZINC000488254266 528254911 /nfs/dbraw/zinc/25/49/11/528254911.db2.gz RCZMTMZADLZDSH-UHFFFAOYSA-N 0 1 239.388 3.494 20 0 BGADMN Cc1nc(CSC2CCC(C)(C)CC2)n[nH]1 ZINC000488256202 534401286 /nfs/dbraw/zinc/40/12/86/534401286.db2.gz PQSZPGFGRSZITK-UHFFFAOYSA-N 0 1 239.388 3.315 20 0 BGADMN CC(C)c1nc(CS[C@H](C)C(C)C)n[nH]1 ZINC000488266281 528254609 /nfs/dbraw/zinc/25/46/09/528254609.db2.gz RXFLFWADYMGWBS-SECBINFHSA-N 0 1 227.377 3.206 20 0 BGADMN CC(C)c1nc(CS[C@@H](C)C(C)C)n[nH]1 ZINC000488266282 528254767 /nfs/dbraw/zinc/25/47/67/528254767.db2.gz RXFLFWADYMGWBS-VIFPVBQESA-N 0 1 227.377 3.206 20 0 BGADMN CCCCCSCc1n[nH]c(C(C)C)n1 ZINC000488270488 528251007 /nfs/dbraw/zinc/25/10/07/528251007.db2.gz WAQSDELUVISKHZ-UHFFFAOYSA-N 0 1 227.377 3.352 20 0 BGADMN CC(C)c1nc(CSCC(C)(C)C)n[nH]1 ZINC000488273758 528255621 /nfs/dbraw/zinc/25/56/21/528255621.db2.gz FSSDCWYNDNSSKT-UHFFFAOYSA-N 0 1 227.377 3.207 20 0 BGADMN CC(C)c1nc(CSC2CCCC2)n[nH]1 ZINC000488274989 528254168 /nfs/dbraw/zinc/25/41/68/528254168.db2.gz VHYDFWCEKGIMES-UHFFFAOYSA-N 0 1 225.361 3.104 20 0 BGADMN CC(C)=CCSCc1n[nH]c(C(C)C)n1 ZINC000488278970 527453986 /nfs/dbraw/zinc/45/39/86/527453986.db2.gz OAJXPWXHELWGEY-UHFFFAOYSA-N 0 1 225.361 3.128 20 0 BGADMN Cc1nc(CSC(C)(C)c2ccccc2)n[nH]1 ZINC000488302156 534400580 /nfs/dbraw/zinc/40/05/80/534400580.db2.gz XDYKEERVWGYRMI-UHFFFAOYSA-N 0 1 247.367 3.282 20 0 BGADMN CCN(Cc1c(F)cccc1F)C[C@H]1C[C@H]1C ZINC000488327251 528761167 /nfs/dbraw/zinc/76/11/67/528761167.db2.gz VPHYRGVUDLLCBE-GHMZBOCLSA-N 0 1 239.309 3.443 20 0 BGADMN CCN(Cc1c(F)cccc1F)C[C@@H]1C[C@H]1C ZINC000488327252 528760281 /nfs/dbraw/zinc/76/02/81/528760281.db2.gz VPHYRGVUDLLCBE-MNOVXSKESA-N 0 1 239.309 3.443 20 0 BGADMN CCN(Cc1c(F)cccc1F)C[C@@H]1C[C@@H]1C ZINC000488327253 528760250 /nfs/dbraw/zinc/76/02/50/528760250.db2.gz VPHYRGVUDLLCBE-QWRGUYRKSA-N 0 1 239.309 3.443 20 0 BGADMN CCN(Cc1c(F)cccc1F)C[C@H]1C[C@@H]1C ZINC000488327254 528761192 /nfs/dbraw/zinc/76/11/92/528761192.db2.gz VPHYRGVUDLLCBE-WDEREUQCSA-N 0 1 239.309 3.443 20 0 BGADMN C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000488330902 225373370 /nfs/dbraw/zinc/37/33/70/225373370.db2.gz LCPAKSOOFZLOAL-WCQYABFASA-N 0 1 233.330 3.446 20 0 BGADMN C[C@@H]1C[C@H]1CN1CCc2c3ccccc3[nH]c2C1 ZINC000488331059 534023270 /nfs/dbraw/zinc/02/32/70/534023270.db2.gz QJXVZANHSNUPFN-NEPJUHHUSA-N 0 1 240.350 3.182 20 0 BGADMN C[C@H]1C[C@@H]1CN1CCc2c3ccccc3[nH]c2C1 ZINC000488331060 225375442 /nfs/dbraw/zinc/37/54/42/225375442.db2.gz QJXVZANHSNUPFN-NWDGAFQWSA-N 0 1 240.350 3.182 20 0 BGADMN C[C@H]1C[C@H]1CN1CCc2c3ccccc3[nH]c2C1 ZINC000488331061 225375738 /nfs/dbraw/zinc/37/57/38/225375738.db2.gz QJXVZANHSNUPFN-RYUDHWBXSA-N 0 1 240.350 3.182 20 0 BGADMN C[C@@H]1C[C@@H]1CN1CCc2c3ccccc3[nH]c2C1 ZINC000488331063 225374451 /nfs/dbraw/zinc/37/44/51/225374451.db2.gz QJXVZANHSNUPFN-VXGBXAGGSA-N 0 1 240.350 3.182 20 0 BGADMN C[C@@H]1C[C@@H]1CN(C)Cc1nc2ccccc2s1 ZINC000488331322 533714657 /nfs/dbraw/zinc/71/46/57/533714657.db2.gz JREGWNZDQWSAFJ-GHMZBOCLSA-N 0 1 246.379 3.384 20 0 BGADMN C[C@@H]1C[C@H]1CN(C)Cc1nc2ccccc2s1 ZINC000488331323 534018084 /nfs/dbraw/zinc/01/80/84/534018084.db2.gz JREGWNZDQWSAFJ-MNOVXSKESA-N 0 1 246.379 3.384 20 0 BGADMN C[C@H]1C[C@H]1CN(C)Cc1nc2ccccc2s1 ZINC000488331325 225376104 /nfs/dbraw/zinc/37/61/04/225376104.db2.gz JREGWNZDQWSAFJ-QWRGUYRKSA-N 0 1 246.379 3.384 20 0 BGADMN C[C@H]1C[C@@H]1CN(C)Cc1nc2ccccc2s1 ZINC000488331327 225375288 /nfs/dbraw/zinc/37/52/88/225375288.db2.gz JREGWNZDQWSAFJ-WDEREUQCSA-N 0 1 246.379 3.384 20 0 BGADMN C[C@H]1C[C@@H]1CN(CC(F)F)CC1CCC1 ZINC000488355726 225386447 /nfs/dbraw/zinc/38/64/47/225386447.db2.gz YPOHQEQFJHLBEG-GXSJLCMTSA-N 0 1 217.303 3.010 20 0 BGADMN C[C@@H]1C[C@H]1CN(CC(F)F)CC1CCC1 ZINC000488355727 534019004 /nfs/dbraw/zinc/01/90/04/534019004.db2.gz YPOHQEQFJHLBEG-KOLCDFICSA-N 0 1 217.303 3.010 20 0 BGADMN C[C@@H]1C[C@@H]1CN(CC(F)F)CC1CCC1 ZINC000488355728 533712967 /nfs/dbraw/zinc/71/29/67/533712967.db2.gz YPOHQEQFJHLBEG-MWLCHTKSSA-N 0 1 217.303 3.010 20 0 BGADMN C[C@H]1C[C@H]1CN(CC(F)F)CC1CCC1 ZINC000488355729 225386162 /nfs/dbraw/zinc/38/61/62/225386162.db2.gz YPOHQEQFJHLBEG-ONGXEEELSA-N 0 1 217.303 3.010 20 0 BGADMN CC1=CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488358750 528121379 /nfs/dbraw/zinc/12/13/79/528121379.db2.gz SLRRJSLMNAABGB-UHFFFAOYSA-N 0 1 244.313 3.459 20 0 BGADMN Cc1ccsc1CN1CC(C)(C)OC[C@@H]1C ZINC000488360837 534470273 /nfs/dbraw/zinc/47/02/73/534470273.db2.gz AEUXDBSKGQUIOV-NSHDSACASA-N 0 1 239.384 3.056 20 0 BGADMN Cc1ccc(CN2CC(C)(C)OC[C@@H]2C)cc1C ZINC000488377264 533915339 /nfs/dbraw/zinc/91/53/39/533915339.db2.gz GYSNGLAZQPCQSQ-AWEZNQCLSA-N 0 1 247.382 3.303 20 0 BGADMN Cc1ccc(CN2CC(C)(C)OC[C@@H]2C)s1 ZINC000488389078 533914167 /nfs/dbraw/zinc/91/41/67/533914167.db2.gz LOLPPBCYFPWIGT-JTQLQIEISA-N 0 1 239.384 3.056 20 0 BGADMN C[C@H]1CSCCN(Cc2ccc(Cl)o2)C1 ZINC000488403798 534062932 /nfs/dbraw/zinc/06/29/32/534062932.db2.gz ZRDUPQFBJJYEDV-SECBINFHSA-N 0 1 245.775 3.118 20 0 BGADMN C[C@@H]1CSCCN(Cc2ccc(Cl)o2)C1 ZINC000488403799 534487375 /nfs/dbraw/zinc/48/73/75/534487375.db2.gz ZRDUPQFBJJYEDV-VIFPVBQESA-N 0 1 245.775 3.118 20 0 BGADMN CC[C@@]1(C)CCC[N@@H+](Cc2cccnc2OC)C1 ZINC000488418897 385774202 /nfs/dbraw/zinc/77/42/02/385774202.db2.gz TVJDTLOIKIUSBP-HNNXBMFYSA-N 0 1 248.370 3.102 20 0 BGADMN CC[C@]1(C)CCC[N@@H+](Cc2cccnc2OC)C1 ZINC000488418898 385774277 /nfs/dbraw/zinc/77/42/77/385774277.db2.gz TVJDTLOIKIUSBP-OAHLLOKOSA-N 0 1 248.370 3.102 20 0 BGADMN CC[C@@H]1CCCCC[N@H+]1Cc1cccnc1OC ZINC000488451810 398073891 /nfs/dbraw/zinc/07/38/91/398073891.db2.gz UDFDOXLPGVHQIO-CQSZACIVSA-N 0 1 248.370 3.245 20 0 BGADMN CC(C)CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488884504 388198394 /nfs/dbraw/zinc/19/83/94/388198394.db2.gz BLILGGDEQQCQRN-UHFFFAOYSA-N 0 1 249.289 3.077 20 0 BGADMN CCC[C@@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488902443 388199042 /nfs/dbraw/zinc/19/90/42/388199042.db2.gz PMOCPKWXKYMVEH-MRVPVSSYSA-N 0 1 249.289 3.077 20 0 BGADMN CCC[C@H](C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488902444 388199142 /nfs/dbraw/zinc/19/91/42/388199142.db2.gz PMOCPKWXKYMVEH-QMMMGPOBSA-N 0 1 249.289 3.077 20 0 BGADMN CCC(C)(C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488927536 388199399 /nfs/dbraw/zinc/19/93/99/388199399.db2.gz XVYOYZLQOXUQKQ-UHFFFAOYSA-N 0 1 249.289 3.077 20 0 BGADMN CC[C@@H](C)CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488930207 388199018 /nfs/dbraw/zinc/19/90/18/388199018.db2.gz FIFXLNJOBMCXQQ-MRVPVSSYSA-N 0 1 249.289 3.077 20 0 BGADMN CC[C@H](C)CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488930208 388198911 /nfs/dbraw/zinc/19/89/11/388198911.db2.gz FIFXLNJOBMCXQQ-QMMMGPOBSA-N 0 1 249.289 3.077 20 0 BGADMN CCCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488930654 388199122 /nfs/dbraw/zinc/19/91/22/388199122.db2.gz FZLCNLOLVKXYMI-UHFFFAOYSA-N 0 1 249.289 3.221 20 0 BGADMN CCC(CC)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488937733 388198993 /nfs/dbraw/zinc/19/89/93/388198993.db2.gz MBBPYZVMKDPAFI-UHFFFAOYSA-N 0 1 249.289 3.077 20 0 BGADMN CC(C)(C)CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488950551 388199803 /nfs/dbraw/zinc/19/98/03/388199803.db2.gz UGAFPYCWZTYRAC-UHFFFAOYSA-N 0 1 249.289 3.077 20 0 BGADMN CC/C=C\CCN1CCOc2ccc(F)cc2C1 ZINC000489169958 388205483 /nfs/dbraw/zinc/20/54/83/388205483.db2.gz QENLCHVSBOTGDX-ARJAWSKDSA-N 0 1 249.329 3.376 20 0 BGADMN CC/C=C/CCN1CCOc2ccc(F)cc2C1 ZINC000489169960 388204899 /nfs/dbraw/zinc/20/48/99/388204899.db2.gz QENLCHVSBOTGDX-ONEGZZNKSA-N 0 1 249.329 3.376 20 0 BGADMN CC(C)CCN1CCOc2ccc(F)cc2C1 ZINC000489180141 388205421 /nfs/dbraw/zinc/20/54/21/388205421.db2.gz FGJNEBHSOOKTNW-UHFFFAOYSA-N 0 1 237.318 3.066 20 0 BGADMN CC[C@@H](C)CN1CCOc2ccc(F)cc2C1 ZINC000489250196 388206731 /nfs/dbraw/zinc/20/67/31/388206731.db2.gz IONWLSRJDCDKRI-LLVKDONJSA-N 0 1 237.318 3.066 20 0 BGADMN CC[C@H](C)CN1CCOc2ccc(F)cc2C1 ZINC000489250197 388207004 /nfs/dbraw/zinc/20/70/04/388207004.db2.gz IONWLSRJDCDKRI-NSHDSACASA-N 0 1 237.318 3.066 20 0 BGADMN CCCCCN1CCOc2ccc(F)cc2C1 ZINC000489264957 388206751 /nfs/dbraw/zinc/20/67/51/388206751.db2.gz YIAVWLSZJDNGFR-UHFFFAOYSA-N 0 1 237.318 3.210 20 0 BGADMN CN(Cc1cc(F)ccc1F)[C@@H]1CC1(C)C ZINC000489396674 388210812 /nfs/dbraw/zinc/21/08/12/388210812.db2.gz DHJACWVUXKFWEK-GFCCVEGCSA-N 0 1 225.282 3.195 20 0 BGADMN CN(Cc1cc(F)ccc1F)[C@H]1CC1(C)C ZINC000489396679 388210693 /nfs/dbraw/zinc/21/06/93/388210693.db2.gz DHJACWVUXKFWEK-LBPRGKRZSA-N 0 1 225.282 3.195 20 0 BGADMN CN(Cc1cccc(F)c1F)[C@@H]1CC1(C)C ZINC000489407942 388211657 /nfs/dbraw/zinc/21/16/57/388211657.db2.gz DYXGAMDCMYJKAA-LLVKDONJSA-N 0 1 225.282 3.195 20 0 BGADMN CN(Cc1cccc(F)c1F)[C@H]1CC1(C)C ZINC000489407946 388211885 /nfs/dbraw/zinc/21/18/85/388211885.db2.gz DYXGAMDCMYJKAA-NSHDSACASA-N 0 1 225.282 3.195 20 0 BGADMN CN(Cc1ccccc1F)[C@@H]1CC1(C)C ZINC000489424955 398024027 /nfs/dbraw/zinc/02/40/27/398024027.db2.gz LAWWJMDBABBORA-GFCCVEGCSA-N 0 1 207.292 3.056 20 0 BGADMN CN(Cc1ccccc1F)[C@H]1CC1(C)C ZINC000489424958 398023900 /nfs/dbraw/zinc/02/39/00/398023900.db2.gz LAWWJMDBABBORA-LBPRGKRZSA-N 0 1 207.292 3.056 20 0 BGADMN CN(Cc1ccc(F)cc1F)[C@@H]1CC1(C)C ZINC000489430349 398024985 /nfs/dbraw/zinc/02/49/85/398024985.db2.gz FYIXVIMUVODJSA-GFCCVEGCSA-N 0 1 225.282 3.195 20 0 BGADMN CN(Cc1ccc(F)cc1F)[C@H]1CC1(C)C ZINC000489430351 398024850 /nfs/dbraw/zinc/02/48/50/398024850.db2.gz FYIXVIMUVODJSA-LBPRGKRZSA-N 0 1 225.282 3.195 20 0 BGADMN COc1ccc(C)cc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489436105 388213381 /nfs/dbraw/zinc/21/33/81/388213381.db2.gz LNLDCSFEUAJUTE-AWEZNQCLSA-N 0 1 233.355 3.234 20 0 BGADMN COc1ccc(C)cc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489436107 388213314 /nfs/dbraw/zinc/21/33/14/388213314.db2.gz LNLDCSFEUAJUTE-CQSZACIVSA-N 0 1 233.355 3.234 20 0 BGADMN Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489438427 384270105 /nfs/dbraw/zinc/27/01/05/384270105.db2.gz HFRCEWCPTYTFOO-CYBMUJFWSA-N 0 1 221.319 3.364 20 0 BGADMN Cc1ccc(F)cc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489438428 384270435 /nfs/dbraw/zinc/27/04/35/384270435.db2.gz HFRCEWCPTYTFOO-ZDUSSCGKSA-N 0 1 221.319 3.364 20 0 BGADMN CN(Cc1nc2ccccc2o1)[C@@H]1CC1(C)C ZINC000489443483 388215406 /nfs/dbraw/zinc/21/54/06/388215406.db2.gz INLLDGPGPZHSBR-GFCCVEGCSA-N 0 1 230.311 3.058 20 0 BGADMN CN(Cc1nc2ccccc2o1)[C@H]1CC1(C)C ZINC000489443485 388214975 /nfs/dbraw/zinc/21/49/75/388214975.db2.gz INLLDGPGPZHSBR-LBPRGKRZSA-N 0 1 230.311 3.058 20 0 BGADMN CN(Cc1nc2cc(F)ccc2o1)[C@@H]1CC1(C)C ZINC000489447104 388215014 /nfs/dbraw/zinc/21/50/14/388215014.db2.gz JQKGXSBUBFEOBS-GFCCVEGCSA-N 0 1 248.301 3.197 20 0 BGADMN CN(Cc1nc2cc(F)ccc2o1)[C@H]1CC1(C)C ZINC000489447105 388214522 /nfs/dbraw/zinc/21/45/22/388214522.db2.gz JQKGXSBUBFEOBS-LBPRGKRZSA-N 0 1 248.301 3.197 20 0 BGADMN CN(Cc1nc2ccc(F)cc2o1)[C@@H]1CC1(C)C ZINC000489504998 388219630 /nfs/dbraw/zinc/21/96/30/388219630.db2.gz ZWGWWHPLIAZTNY-GFCCVEGCSA-N 0 1 248.301 3.197 20 0 BGADMN CN(Cc1nc2ccc(F)cc2o1)[C@H]1CC1(C)C ZINC000489504999 388219566 /nfs/dbraw/zinc/21/95/66/388219566.db2.gz ZWGWWHPLIAZTNY-LBPRGKRZSA-N 0 1 248.301 3.197 20 0 BGADMN CCc1nc(CN(C)C2(C)CCCC2)cs1 ZINC000489863354 388226124 /nfs/dbraw/zinc/22/61/24/388226124.db2.gz SCDSAUWRLBFOLM-UHFFFAOYSA-N 0 1 238.400 3.470 20 0 BGADMN CCc1nc(C[N@@H+](C)C2(C)CCCC2)cs1 ZINC000489863354 388226122 /nfs/dbraw/zinc/22/61/22/388226122.db2.gz SCDSAUWRLBFOLM-UHFFFAOYSA-N 0 1 238.400 3.470 20 0 BGADMN CN(Cc1nccn1C(F)F)C1(C)CCCC1 ZINC000489864456 388226231 /nfs/dbraw/zinc/22/62/31/388226231.db2.gz VNIJLLJPAHZVJH-UHFFFAOYSA-N 0 1 243.301 3.043 20 0 BGADMN C[N@@H+](Cc1nccn1C(F)F)C1(C)CCCC1 ZINC000489864456 388226229 /nfs/dbraw/zinc/22/62/29/388226229.db2.gz VNIJLLJPAHZVJH-UHFFFAOYSA-N 0 1 243.301 3.043 20 0 BGADMN CC(C)n1ccnc1CN(C)C1(C)CCCC1 ZINC000489873666 388226794 /nfs/dbraw/zinc/22/67/94/388226794.db2.gz IVIRLEGWWKXIOJ-UHFFFAOYSA-N 0 1 235.375 3.229 20 0 BGADMN CN(Cc1ncc(C2CC2)o1)C1(C)CCCC1 ZINC000489910398 388227830 /nfs/dbraw/zinc/22/78/30/388227830.db2.gz MJEDCTXPYGXKAH-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN CCOC[C@H](C)Nc1ccnc2cc(F)ccc21 ZINC000489943591 388229081 /nfs/dbraw/zinc/22/90/81/388229081.db2.gz HXCVYCUWKLCWBI-JTQLQIEISA-N 0 1 248.301 3.211 20 0 BGADMN Cc1occc1CN(C)[C@H](C)c1ccncc1 ZINC000490428955 388238574 /nfs/dbraw/zinc/23/85/74/388238574.db2.gz VMBZDQQXASARAH-LLVKDONJSA-N 0 1 230.311 3.176 20 0 BGADMN Cc1occc1CN(C)[C@@H](C)c1ccncc1 ZINC000490428956 388238534 /nfs/dbraw/zinc/23/85/34/388238534.db2.gz VMBZDQQXASARAH-NSHDSACASA-N 0 1 230.311 3.176 20 0 BGADMN CC(C)(C)c1cnc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000491276285 398036431 /nfs/dbraw/zinc/03/64/31/398036431.db2.gz DEQDLWONVVZOJS-GFCCVEGCSA-N 0 1 248.370 3.204 20 0 BGADMN CC(C)(C)c1cnc(CN2CC[C@H](C3CC3)C2)o1 ZINC000491276286 398036387 /nfs/dbraw/zinc/03/63/87/398036387.db2.gz DEQDLWONVVZOJS-LBPRGKRZSA-N 0 1 248.370 3.204 20 0 BGADMN CC(C)(C)/C=C\C(=O)Nc1ccc2nc[nH]c2c1 ZINC000491861553 388325096 /nfs/dbraw/zinc/32/50/96/388325096.db2.gz VCAJDRDINFVHFB-SREVYHEPSA-N 0 1 243.310 3.104 20 0 BGADMN C/C=C/C=C\C(=O)Nc1cccc(Cl)c1O ZINC000492247180 527613192 /nfs/dbraw/zinc/61/31/92/527613192.db2.gz IAMSDHHZNPXASU-HOJFPOIOSA-N 0 1 237.686 3.116 20 0 BGADMN C[C@H](CN1CCC=C(F)C1)c1ccccc1 ZINC000492678539 226036324 /nfs/dbraw/zinc/03/63/24/226036324.db2.gz FFRMMBXCJWIUBI-GFCCVEGCSA-N 0 1 219.303 3.349 20 0 BGADMN C[C@@H](CN1CCC=C(F)C1)c1ccccc1 ZINC000492678564 533806917 /nfs/dbraw/zinc/80/69/17/533806917.db2.gz FFRMMBXCJWIUBI-LBPRGKRZSA-N 0 1 219.303 3.349 20 0 BGADMN CC1(C)CCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000492875908 528993585 /nfs/dbraw/zinc/99/35/85/528993585.db2.gz UEZLNDOJTSIDOT-GFCCVEGCSA-N 0 1 234.343 3.220 20 0 BGADMN CC1(C)CCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000492875909 528970939 /nfs/dbraw/zinc/97/09/39/528970939.db2.gz UEZLNDOJTSIDOT-LBPRGKRZSA-N 0 1 234.343 3.220 20 0 BGADMN Cc1cccc(CCCN2CCC=C(F)C2)c1 ZINC000492990375 226098290 /nfs/dbraw/zinc/09/82/90/226098290.db2.gz HGOMRYWIMLSLQZ-UHFFFAOYSA-N 0 1 233.330 3.487 20 0 BGADMN Cc1cccc(CCC[N@H+]2CCC=C(F)C2)c1 ZINC000492990375 226098288 /nfs/dbraw/zinc/09/82/88/226098288.db2.gz HGOMRYWIMLSLQZ-UHFFFAOYSA-N 0 1 233.330 3.487 20 0 BGADMN Cc1ccc(CNCc2cncc(F)c2)c(C)c1 ZINC000494601294 534073774 /nfs/dbraw/zinc/07/37/74/534073774.db2.gz XENCJCWLICPVGK-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN FC(F)CN(CC1CCC1)C[C@H]1CCSC1 ZINC000494940356 226272024 /nfs/dbraw/zinc/27/20/24/226272024.db2.gz MFNJMZHJOZXORV-LLVKDONJSA-N 0 1 249.370 3.107 20 0 BGADMN FC(F)CN(CC1CCC1)C[C@@H]1CCSC1 ZINC000494940357 226271967 /nfs/dbraw/zinc/27/19/67/226271967.db2.gz MFNJMZHJOZXORV-NSHDSACASA-N 0 1 249.370 3.107 20 0 BGADMN Cc1occc1CN(C)C/C=C\c1ccncc1 ZINC000494943686 534565545 /nfs/dbraw/zinc/56/55/45/534565545.db2.gz YZPIQBUNUZRYIG-ARJAWSKDSA-N 0 1 242.322 3.128 20 0 BGADMN Cc1occc1CN(C)C/C=C/c1ccncc1 ZINC000494943687 534566026 /nfs/dbraw/zinc/56/60/26/534566026.db2.gz YZPIQBUNUZRYIG-ONEGZZNKSA-N 0 1 242.322 3.128 20 0 BGADMN CCOc1ccc(CN2CC=C(C)CC2)cc1F ZINC000494973011 528432639 /nfs/dbraw/zinc/43/26/39/528432639.db2.gz AOVNZNAYXACQNI-UHFFFAOYSA-N 0 1 249.329 3.376 20 0 BGADMN CCOc1ccc(CN2CCC23CCC3)cc1F ZINC000494974876 528432387 /nfs/dbraw/zinc/43/23/87/528432387.db2.gz DGARFEXOCCDIDZ-UHFFFAOYSA-N 0 1 249.329 3.353 20 0 BGADMN CCOc1ccc(CN2CCCCC2)cc1F ZINC000494985685 226274232 /nfs/dbraw/zinc/27/42/32/226274232.db2.gz MGMDQRWZEOAQPU-UHFFFAOYSA-N 0 1 237.318 3.210 20 0 BGADMN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1c(F)cncc1F ZINC000495039581 226274963 /nfs/dbraw/zinc/27/49/63/226274963.db2.gz ZPJLXMCBGPGDOT-JDVQERKKSA-N 0 1 240.297 3.055 20 0 BGADMN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1c(F)cncc1F ZINC000495039594 226274776 /nfs/dbraw/zinc/27/47/76/226274776.db2.gz ZPJLXMCBGPGDOT-KIKITERTSA-N 0 1 240.297 3.055 20 0 BGADMN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1c(F)cncc1F ZINC000495039596 226274998 /nfs/dbraw/zinc/27/49/98/226274998.db2.gz ZPJLXMCBGPGDOT-KZFFXBSXSA-N 0 1 240.297 3.055 20 0 BGADMN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1c(F)cncc1F ZINC000495039598 226274920 /nfs/dbraw/zinc/27/49/20/226274920.db2.gz ZPJLXMCBGPGDOT-PHGLEFOZSA-N 0 1 240.297 3.055 20 0 BGADMN Cc1ccc(CN(C)C/C=C\c2ccncc2)o1 ZINC000495059572 533871189 /nfs/dbraw/zinc/87/11/89/533871189.db2.gz NYQKXNQCKHYASS-ARJAWSKDSA-N 0 1 242.322 3.128 20 0 BGADMN Cc1ccc(CN(C)C/C=C/c2ccncc2)o1 ZINC000495059573 533869485 /nfs/dbraw/zinc/86/94/85/533869485.db2.gz NYQKXNQCKHYASS-ONEGZZNKSA-N 0 1 242.322 3.128 20 0 BGADMN COCCN(Cc1cc(Cl)cs1)C1CC1 ZINC000495074768 226275728 /nfs/dbraw/zinc/27/57/28/226275728.db2.gz NNUXFTGIXYPXMS-UHFFFAOYSA-N 0 1 245.775 3.012 20 0 BGADMN CCOc1c(Cl)cccc1CN(C)C1CC1 ZINC000495082685 528177360 /nfs/dbraw/zinc/17/73/60/528177360.db2.gz JIWMZBPKKIAHNG-UHFFFAOYSA-N 0 1 239.746 3.333 20 0 BGADMN CCN(Cc1scnc1C1CC1)C1CC1 ZINC000495087996 538927644 /nfs/dbraw/zinc/92/76/44/538927644.db2.gz CQRLOESGTQUBSF-UHFFFAOYSA-N 0 1 222.357 3.005 20 0 BGADMN C[C@@H](c1ccco1)N(C)C/C=C\c1ccncc1 ZINC000495090787 226276651 /nfs/dbraw/zinc/27/66/51/226276651.db2.gz AVCRJOAITIXMSW-DXTPNHAXSA-N 0 1 242.322 3.381 20 0 BGADMN C[C@H](c1ccco1)N(C)C/C=C\c1ccncc1 ZINC000495090789 226276466 /nfs/dbraw/zinc/27/64/66/226276466.db2.gz AVCRJOAITIXMSW-HSBHDXMMSA-N 0 1 242.322 3.381 20 0 BGADMN C[C@@H](c1ccco1)N(C)C/C=C/c1ccncc1 ZINC000495090791 226276559 /nfs/dbraw/zinc/27/65/59/226276559.db2.gz AVCRJOAITIXMSW-LQPUYASZSA-N 0 1 242.322 3.381 20 0 BGADMN C[C@H](c1ccco1)N(C)C/C=C/c1ccncc1 ZINC000495090793 226276453 /nfs/dbraw/zinc/27/64/53/226276453.db2.gz AVCRJOAITIXMSW-MASHWEEQSA-N 0 1 242.322 3.381 20 0 BGADMN Cc1nccc(N2C[C@H](C)C[C@@H]2C)c1Cl ZINC000497115666 226322883 /nfs/dbraw/zinc/32/28/83/226322883.db2.gz OVNLRMVPHYISBO-BDAKNGLRSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2C[C@@H](C)C[C@H]2C)c1Cl ZINC000497115669 226323060 /nfs/dbraw/zinc/32/30/60/226323060.db2.gz OVNLRMVPHYISBO-DTWKUNHWSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2C[C@@H](C)C[C@@H]2C)c1Cl ZINC000497115670 226322111 /nfs/dbraw/zinc/32/21/11/226322111.db2.gz OVNLRMVPHYISBO-IUCAKERBSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1nccc(N2C[C@H](C)C[C@H]2C)c1Cl ZINC000497115671 226322342 /nfs/dbraw/zinc/32/23/42/226322342.db2.gz OVNLRMVPHYISBO-RKDXNWHRSA-N 0 1 224.735 3.278 20 0 BGADMN Cc1ccc(CN2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000497168048 384604553 /nfs/dbraw/zinc/60/45/53/384604553.db2.gz ZVYPQUWTVDHBOY-INIZCTEOSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000497168048 384604547 /nfs/dbraw/zinc/60/45/47/384604547.db2.gz ZVYPQUWTVDHBOY-INIZCTEOSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(CN2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000497168049 384605863 /nfs/dbraw/zinc/60/58/63/384605863.db2.gz ZVYPQUWTVDHBOY-MRXNPFEDSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000497168049 384605858 /nfs/dbraw/zinc/60/58/58/384605858.db2.gz ZVYPQUWTVDHBOY-MRXNPFEDSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(CN2CCO[C@H](C(C)C)C2)cc1C ZINC000497245735 384907016 /nfs/dbraw/zinc/90/70/16/384907016.db2.gz GSRQLTVDUAPPFG-INIZCTEOSA-N 0 1 247.382 3.160 20 0 BGADMN Cc1ccc(CN2CCO[C@@H](C(C)C)C2)cc1C ZINC000497245739 384905265 /nfs/dbraw/zinc/90/52/65/384905265.db2.gz GSRQLTVDUAPPFG-MRXNPFEDSA-N 0 1 247.382 3.160 20 0 BGADMN CC[C@@H](C)CN(CC(=O)OC(C)(C)C)C(C)C ZINC000499252830 529314954 /nfs/dbraw/zinc/31/49/54/529314954.db2.gz RTYJRKODECIOBB-GFCCVEGCSA-N 0 1 243.391 3.085 20 0 BGADMN CC[C@H](C)CN(CC(=O)OC(C)(C)C)C(C)C ZINC000499252831 529652027 /nfs/dbraw/zinc/65/20/27/529652027.db2.gz RTYJRKODECIOBB-LBPRGKRZSA-N 0 1 243.391 3.085 20 0 BGADMN CC(C)CCN(CC(=O)OC(C)(C)C)C(C)C ZINC000499255491 527710955 /nfs/dbraw/zinc/71/09/55/527710955.db2.gz LILLZPFEJYHXPY-UHFFFAOYSA-N 0 1 243.391 3.085 20 0 BGADMN CCOC(=O)C(C)(C)N(C)CCCC(C)(C)C ZINC000499543133 528556109 /nfs/dbraw/zinc/55/61/09/528556109.db2.gz HTBUXUUAACBVKR-UHFFFAOYSA-N 0 1 243.391 3.086 20 0 BGADMN CC[C@@H](C)N(CCCC(C)(C)C)CC(=O)OC ZINC000499789959 529347889 /nfs/dbraw/zinc/34/78/89/529347889.db2.gz JDHNBXJFROMTFQ-GFCCVEGCSA-N 0 1 243.391 3.086 20 0 BGADMN CC[C@H](C)N(CCCC(C)(C)C)CC(=O)OC ZINC000499789961 529693806 /nfs/dbraw/zinc/69/38/06/529693806.db2.gz JDHNBXJFROMTFQ-LBPRGKRZSA-N 0 1 243.391 3.086 20 0 BGADMN C[C@@]1(F)CCN(CCSC2CCCCC2)C1 ZINC000501013229 226326549 /nfs/dbraw/zinc/32/65/49/226326549.db2.gz YKYRWENLOSOHCA-CYBMUJFWSA-N 0 1 245.407 3.486 20 0 BGADMN C[C@]1(F)CCN(CCSC2CCCCC2)C1 ZINC000501013230 226326542 /nfs/dbraw/zinc/32/65/42/226326542.db2.gz YKYRWENLOSOHCA-ZDUSSCGKSA-N 0 1 245.407 3.486 20 0 BGADMN CCC[C@@H](C)N(CCC)CC(=O)OC(C)(C)C ZINC000501019338 528889523 /nfs/dbraw/zinc/88/95/23/528889523.db2.gz CEOGLSQWAVNWKV-GFCCVEGCSA-N 0 1 243.391 3.229 20 0 BGADMN CCC[C@H](C)N(CCC)CC(=O)OC(C)(C)C ZINC000501019339 528049300 /nfs/dbraw/zinc/04/93/00/528049300.db2.gz CEOGLSQWAVNWKV-LBPRGKRZSA-N 0 1 243.391 3.229 20 0 BGADMN CCc1ccc(CN2CC[C@](C)(F)C2)cc1 ZINC000501391885 529642577 /nfs/dbraw/zinc/64/25/77/529642577.db2.gz ILHFELUSYLSDRC-AWEZNQCLSA-N 0 1 221.319 3.183 20 0 BGADMN CCc1ccc(CN2CC[C@@](C)(F)C2)cc1 ZINC000501391886 529642080 /nfs/dbraw/zinc/64/20/80/529642080.db2.gz ILHFELUSYLSDRC-CQSZACIVSA-N 0 1 221.319 3.183 20 0 BGADMN C[C@]1(F)CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000501392373 226327751 /nfs/dbraw/zinc/32/77/51/226327751.db2.gz IUYROEHGKPYBQL-CABCVRRESA-N 0 1 233.330 3.498 20 0 BGADMN C[C@]1(F)CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000501392375 226327958 /nfs/dbraw/zinc/32/79/58/226327958.db2.gz IUYROEHGKPYBQL-GJZGRUSLSA-N 0 1 233.330 3.498 20 0 BGADMN C[C@@]1(F)CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000501392377 226327920 /nfs/dbraw/zinc/32/79/20/226327920.db2.gz IUYROEHGKPYBQL-HUUCEWRRSA-N 0 1 233.330 3.498 20 0 BGADMN C[C@@]1(F)CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000501392381 226327754 /nfs/dbraw/zinc/32/77/54/226327754.db2.gz IUYROEHGKPYBQL-LSDHHAIUSA-N 0 1 233.330 3.498 20 0 BGADMN Cc1cccc([C@H](C)[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000501396719 226327905 /nfs/dbraw/zinc/32/79/05/226327905.db2.gz VWRLRLXXQAZMKB-GXTWGEPZSA-N 0 1 221.319 3.490 20 0 BGADMN Cc1cccc([C@H](C)[N@H+]2CC[C@](C)(F)C2)c1 ZINC000501396720 226327834 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CC[C@H]1CCCN1Cc1ncccc1Cl ZINC000528370374 388452068 /nfs/dbraw/zinc/45/20/68/388452068.db2.gz BTUDYQOWJXRXCE-JTQLQIEISA-N 0 1 224.735 3.109 20 0 BGADMN CC[C@@H]1CCCN1Cc1ncccc1Cl ZINC000528370376 388451901 /nfs/dbraw/zinc/45/19/01/388451901.db2.gz BTUDYQOWJXRXCE-SNVBAGLBSA-N 0 1 224.735 3.109 20 0 BGADMN CC1(C)CCCN1Cc1ncccc1Cl ZINC000528371990 388451483 /nfs/dbraw/zinc/45/14/83/388451483.db2.gz MLESYTHHDHZLOC-UHFFFAOYSA-N 0 1 224.735 3.109 20 0 BGADMN C/C(Cl)=C\CN1CCC(OC(C)C)CC1 ZINC000528380262 388518487 /nfs/dbraw/zinc/51/84/87/388518487.db2.gz OAICSMFORWGVOK-NYYWCZLTSA-N 0 1 231.767 3.018 20 0 BGADMN C/C(Cl)=C/CN1CCC(OC(C)C)CC1 ZINC000528380264 388518160 /nfs/dbraw/zinc/51/81/60/388518160.db2.gz OAICSMFORWGVOK-WCIBSUBMSA-N 0 1 231.767 3.018 20 0 BGADMN CC[C@H](C)CN(C)Cc1ncccc1Cl ZINC000528380706 388518502 /nfs/dbraw/zinc/51/85/02/388518502.db2.gz QFAZNSLQNPYWNQ-JTQLQIEISA-N 0 1 226.751 3.213 20 0 BGADMN CC[C@@H](C)CN(C)Cc1ncccc1Cl ZINC000528380710 388517844 /nfs/dbraw/zinc/51/78/44/388517844.db2.gz QFAZNSLQNPYWNQ-SNVBAGLBSA-N 0 1 226.751 3.213 20 0 BGADMN CC1(C)CCCN(Cc2ncccc2Cl)C1 ZINC000528383081 388518631 /nfs/dbraw/zinc/51/86/31/388518631.db2.gz SIDJZKIDNCXGQY-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN C[C@@H]1CCC[C@@H](C)N1Cc1ncccc1Cl ZINC000528384736 388519589 /nfs/dbraw/zinc/51/95/89/388519589.db2.gz XXZSXCSOVKEYOG-GHMZBOCLSA-N 0 1 238.762 3.498 20 0 BGADMN C[C@@H]1CCC[C@H](C)N1Cc1ncccc1Cl ZINC000528384737 388519045 /nfs/dbraw/zinc/51/90/45/388519045.db2.gz XXZSXCSOVKEYOG-PHIMTYICSA-N 0 1 238.762 3.498 20 0 BGADMN C[C@H]1CCC[C@H](C)N1Cc1ncccc1Cl ZINC000528384738 388519843 /nfs/dbraw/zinc/51/98/43/388519843.db2.gz XXZSXCSOVKEYOG-QWRGUYRKSA-N 0 1 238.762 3.498 20 0 BGADMN CCN(Cc1ncccc1Cl)C1CCC1 ZINC000528387383 388519357 /nfs/dbraw/zinc/51/93/57/388519357.db2.gz LTKIKYZTLPYTQZ-UHFFFAOYSA-N 0 1 224.735 3.109 20 0 BGADMN C[C@@H]1CCCN(Cc2ncccc2Cl)[C@@H]1C ZINC000528390859 324219528 /nfs/dbraw/zinc/21/95/28/324219528.db2.gz PSSLWUYSEVQYHP-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CCCN(Cc2ncccc2Cl)[C@H]1C ZINC000528390864 324218701 /nfs/dbraw/zinc/21/87/01/324218701.db2.gz PSSLWUYSEVQYHP-MNOVXSKESA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CCCN(Cc2ncccc2Cl)[C@H]1C ZINC000528390868 324218802 /nfs/dbraw/zinc/21/88/02/324218802.db2.gz PSSLWUYSEVQYHP-QWRGUYRKSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1[C@@H](C)CCCN1Cc1ncccc1Cl ZINC000528390872 324218752 /nfs/dbraw/zinc/21/87/52/324218752.db2.gz PSSLWUYSEVQYHP-WDEREUQCSA-N 0 1 238.762 3.355 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@H]1c1ccccn1 ZINC000528391909 323197185 /nfs/dbraw/zinc/19/71/85/323197185.db2.gz AROQXKIZOCYORN-HJTPGIPUSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@@H]1c1ccccn1 ZINC000528391915 386412510 /nfs/dbraw/zinc/41/25/10/386412510.db2.gz AROQXKIZOCYORN-LWMSPQMPSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@@H]1c1ccccn1 ZINC000528391925 386410517 /nfs/dbraw/zinc/41/05/17/386410517.db2.gz AROQXKIZOCYORN-SVTZGKHISA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@H]1c1ccccn1 ZINC000528391928 386411631 /nfs/dbraw/zinc/41/16/31/386411631.db2.gz AROQXKIZOCYORN-YLBKJLTLSA-N 0 1 236.746 3.361 20 0 BGADMN C[C@@H]1CC[C@@H](C)N(Cc2ncccc2Cl)C1 ZINC000528395702 324220368 /nfs/dbraw/zinc/22/03/68/324220368.db2.gz PLZAPECLXHAIQW-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@H](C)N(Cc2ncccc2Cl)C1 ZINC000528395704 324220177 /nfs/dbraw/zinc/22/01/77/324220177.db2.gz PLZAPECLXHAIQW-MNOVXSKESA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CC[C@H](C)N(Cc2ncccc2Cl)C1 ZINC000528395705 324220513 /nfs/dbraw/zinc/22/05/13/324220513.db2.gz PLZAPECLXHAIQW-QWRGUYRKSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@H](C)CN1Cc1ncccc1Cl ZINC000528395706 324220478 /nfs/dbraw/zinc/22/04/78/324220478.db2.gz PLZAPECLXHAIQW-WDEREUQCSA-N 0 1 238.762 3.355 20 0 BGADMN C/C(Cl)=C\CN1CCC(C(F)(F)F)CC1 ZINC000528397064 387583318 /nfs/dbraw/zinc/58/33/18/387583318.db2.gz SWMYLKDVGNEFAY-KRXBUXKQSA-N 0 1 241.684 3.403 20 0 BGADMN C/C(Cl)=C/CN1CCC(C(F)(F)F)CC1 ZINC000528397073 387582129 /nfs/dbraw/zinc/58/21/29/387582129.db2.gz SWMYLKDVGNEFAY-WAPJZHGLSA-N 0 1 241.684 3.403 20 0 BGADMN CN(Cc1nccs1)CC1CC(C)(C)C1 ZINC000528397941 388520051 /nfs/dbraw/zinc/52/00/51/388520051.db2.gz URDZSQMEWXAGQB-UHFFFAOYSA-N 0 1 224.373 3.011 20 0 BGADMN C[C@H](N(C)Cc1ncccc1Cl)C1(C)CC1 ZINC000528400245 387594661 /nfs/dbraw/zinc/59/46/61/387594661.db2.gz MLESKMHGYPOVLV-JTQLQIEISA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H](N(C)Cc1ncccc1Cl)C1(C)CC1 ZINC000528400246 387594401 /nfs/dbraw/zinc/59/44/01/387594401.db2.gz MLESKMHGYPOVLV-SNVBAGLBSA-N 0 1 238.762 3.355 20 0 BGADMN CC1(C)CC(CN2CCO[C@H](c3ccco3)C2)C1 ZINC000528400763 387595689 /nfs/dbraw/zinc/59/56/89/387595689.db2.gz PRIXYXZPDZKLDN-AWEZNQCLSA-N 0 1 249.354 3.089 20 0 BGADMN CC1(C)CC(CN2CCO[C@@H](c3ccco3)C2)C1 ZINC000528400764 387596462 /nfs/dbraw/zinc/59/64/62/387596462.db2.gz PRIXYXZPDZKLDN-CQSZACIVSA-N 0 1 249.354 3.089 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@H]1c1cccn1C 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/nfs/dbraw/zinc/94/44/56/262944456.db2.gz KWLZCBKYEMRPMD-UHFFFAOYSA-N 0 1 236.746 3.111 20 0 BGADMN CC[C@]1(C)CCN(Cc2ncccc2Cl)C1 ZINC000528404104 262910071 /nfs/dbraw/zinc/91/00/71/262910071.db2.gz MKCCWSCLBNCGGI-CYBMUJFWSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@@]1(C)CCN(Cc2ncccc2Cl)C1 ZINC000528404109 387887257 /nfs/dbraw/zinc/88/72/57/387887257.db2.gz MKCCWSCLBNCGGI-ZDUSSCGKSA-N 0 1 238.762 3.357 20 0 BGADMN C/C(Cl)=C\CN1CCC(C(F)F)CC1 ZINC000528404119 388520813 /nfs/dbraw/zinc/52/08/13/388520813.db2.gz GAZYPXSBNSMJOV-KRXBUXKQSA-N 0 1 223.694 3.106 20 0 BGADMN C/C(Cl)=C/CN1CCC(C(F)F)CC1 ZINC000528404123 388520803 /nfs/dbraw/zinc/52/08/03/388520803.db2.gz GAZYPXSBNSMJOV-WAPJZHGLSA-N 0 1 223.694 3.106 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@@H]1c1ccc[nH]1 ZINC000528408019 388521356 /nfs/dbraw/zinc/52/13/56/388521356.db2.gz PEKRALXRNFDJGN-GCZGVDRJSA-N 0 1 224.735 3.294 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@H]1c1ccc[nH]1 ZINC000528408022 388520443 /nfs/dbraw/zinc/52/04/43/388520443.db2.gz PEKRALXRNFDJGN-GYGFLDJKSA-N 0 1 224.735 3.294 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@H]1c1ccc[nH]1 ZINC000528408025 388520779 /nfs/dbraw/zinc/52/07/79/388520779.db2.gz PEKRALXRNFDJGN-JXPAYYINSA-N 0 1 224.735 3.294 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@@H]1c1ccc[nH]1 ZINC000528408026 388520652 /nfs/dbraw/zinc/52/06/52/388520652.db2.gz PEKRALXRNFDJGN-XTOZHPGHSA-N 0 1 224.735 3.294 20 0 BGADMN CC(C)N(Cc1ncccc1Cl)CC1CC1 ZINC000528409489 384845126 /nfs/dbraw/zinc/84/51/26/384845126.db2.gz VLGNMDPRWBIMIN-UHFFFAOYSA-N 0 1 238.762 3.355 20 0 BGADMN CCC(C)(C)N(C)Cc1ncccc1Cl ZINC000528415763 388520674 /nfs/dbraw/zinc/52/06/74/388520674.db2.gz IPRAYCRLZIQQAA-UHFFFAOYSA-N 0 1 226.751 3.355 20 0 BGADMN CC(C)N(Cc1ncccc1Cl)C1CCC1 ZINC000528416303 388522598 /nfs/dbraw/zinc/52/25/98/388522598.db2.gz GZQIFAFSIPTGRI-UHFFFAOYSA-N 0 1 238.762 3.498 20 0 BGADMN CC1(C)CC(C[N@@H+](Cc2ccncc2)C2CC2)C1 ZINC000528422093 384827825 /nfs/dbraw/zinc/82/78/25/384827825.db2.gz CHXBLIBXGHYKMK-UHFFFAOYSA-N 0 1 244.382 3.482 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@@H]1c1cccnc1 ZINC000528424478 388522618 /nfs/dbraw/zinc/52/26/18/388522618.db2.gz KXWGMXOWIIIZOZ-ASJRZHAZSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@H]1c1cccnc1 ZINC000528424480 388522398 /nfs/dbraw/zinc/52/23/98/388522398.db2.gz KXWGMXOWIIIZOZ-GXJZLWQJSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@@H]1c1cccnc1 ZINC000528424482 388522375 /nfs/dbraw/zinc/52/23/75/388522375.db2.gz KXWGMXOWIIIZOZ-TUOYRWMMSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@H]1c1cccnc1 ZINC000528424484 388522567 /nfs/dbraw/zinc/52/25/67/388522567.db2.gz KXWGMXOWIIIZOZ-VKUYVZBCSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@@H]1c1ccncc1 ZINC000528428010 388523926 /nfs/dbraw/zinc/52/39/26/388523926.db2.gz XSNUURVRWDNPMC-ASJRZHAZSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@H]1c1ccncc1 ZINC000528428012 388524103 /nfs/dbraw/zinc/52/41/03/388524103.db2.gz XSNUURVRWDNPMC-GXJZLWQJSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@@H]1c1ccncc1 ZINC000528428014 397985517 /nfs/dbraw/zinc/98/55/17/397985517.db2.gz XSNUURVRWDNPMC-TUOYRWMMSA-N 0 1 236.746 3.361 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@H]1c1ccncc1 ZINC000528428018 397985201 /nfs/dbraw/zinc/98/52/01/397985201.db2.gz XSNUURVRWDNPMC-VKUYVZBCSA-N 0 1 236.746 3.361 20 0 BGADMN Clc1cccnc1CN1CCC2(CC2)CC1 ZINC000528430186 262946573 /nfs/dbraw/zinc/94/65/73/262946573.db2.gz DNFJTQYRLGBAHN-UHFFFAOYSA-N 0 1 236.746 3.111 20 0 BGADMN C[C@@H]1CCN(Cc2ncccc2Cl)C[C@H]1C ZINC000528430572 388525127 /nfs/dbraw/zinc/52/51/27/388525127.db2.gz KCFYGXKGLMLBAF-GHMZBOCLSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@@H]1CCN(Cc2ncccc2Cl)C[C@@H]1C ZINC000528430577 388523105 /nfs/dbraw/zinc/52/31/05/388523105.db2.gz KCFYGXKGLMLBAF-MNOVXSKESA-N 0 1 238.762 3.213 20 0 BGADMN C[C@H]1CN(Cc2ncccc2Cl)CC[C@@H]1C ZINC000528430581 384876794 /nfs/dbraw/zinc/87/67/94/384876794.db2.gz KCFYGXKGLMLBAF-QWRGUYRKSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@H]1CCN(Cc2ncccc2Cl)C[C@H]1C ZINC000528430588 384875281 /nfs/dbraw/zinc/87/52/81/384875281.db2.gz KCFYGXKGLMLBAF-WDEREUQCSA-N 0 1 238.762 3.213 20 0 BGADMN CC(C)N(Cc1ncccc1Cl)C(C)C ZINC000528433743 388524814 /nfs/dbraw/zinc/52/48/14/388524814.db2.gz VKBSAZMLVYIROZ-UHFFFAOYSA-N 0 1 226.751 3.354 20 0 BGADMN C/C(Cl)=C/CNC1(c2ccccc2)CC1 ZINC000528435837 388524940 /nfs/dbraw/zinc/52/49/40/388524940.db2.gz FUQSCVMNSXYRNI-XFFZJAGNSA-N 0 1 221.731 3.408 20 0 BGADMN C/C(Cl)=C\CNC1(c2ccccc2)CC1 ZINC000528435840 388525153 /nfs/dbraw/zinc/52/51/53/388525153.db2.gz FUQSCVMNSXYRNI-YRNVUSSQSA-N 0 1 221.731 3.408 20 0 BGADMN C/C(Cl)=C/CN[C@H](C)c1cnn(C(C)C)c1 ZINC000528447255 388527466 /nfs/dbraw/zinc/52/74/66/388527466.db2.gz FSFODTPXXZSAKX-GULOHRGCSA-N 0 1 241.766 3.257 20 0 BGADMN C/C(Cl)=C\CN[C@H](C)c1cnn(C(C)C)c1 ZINC000528447256 388527138 /nfs/dbraw/zinc/52/71/38/388527138.db2.gz FSFODTPXXZSAKX-IGLBNKAOSA-N 0 1 241.766 3.257 20 0 BGADMN C/C(Cl)=C\CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000528447258 388527249 /nfs/dbraw/zinc/52/72/49/388527249.db2.gz FSFODTPXXZSAKX-UAWPZABVSA-N 0 1 241.766 3.257 20 0 BGADMN C/C(Cl)=C/CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000528447260 388527834 /nfs/dbraw/zinc/52/78/34/388527834.db2.gz FSFODTPXXZSAKX-VQNWOSHQSA-N 0 1 241.766 3.257 20 0 BGADMN CCN(CCC1CC1)Cc1ncccc1Cl ZINC000528449990 388527848 /nfs/dbraw/zinc/52/78/48/388527848.db2.gz NOPPEJTWPYPVLC-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@@H](OCC2CC2)C1 ZINC000528464460 388529747 /nfs/dbraw/zinc/52/97/47/388529747.db2.gz LOHCBLNISIECAB-ASJRZHAZSA-N 0 1 243.778 3.020 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@H](OCC2CC2)C1 ZINC000528464461 388530431 /nfs/dbraw/zinc/53/04/31/388530431.db2.gz LOHCBLNISIECAB-GXJZLWQJSA-N 0 1 243.778 3.020 20 0 BGADMN C/C(Cl)=C/CN1CCC[C@@H](OCC2CC2)C1 ZINC000528464462 388529709 /nfs/dbraw/zinc/52/97/09/388529709.db2.gz LOHCBLNISIECAB-TUOYRWMMSA-N 0 1 243.778 3.020 20 0 BGADMN C/C(Cl)=C\CN1CCC[C@H](OCC2CC2)C1 ZINC000528464463 388529563 /nfs/dbraw/zinc/52/95/63/388529563.db2.gz LOHCBLNISIECAB-VKUYVZBCSA-N 0 1 243.778 3.020 20 0 BGADMN Clc1cccnc1CN1CCCC12CCC2 ZINC000528476244 388532910 /nfs/dbraw/zinc/53/29/10/388532910.db2.gz HIMMAPHYBICYFC-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN C/C(Cl)=C/CN[C@@H](C)c1cccc(O)c1 ZINC000528476961 388532926 /nfs/dbraw/zinc/53/29/26/388532926.db2.gz UORXPCHXFMROGS-MBACFSSFSA-N 0 1 225.719 3.185 20 0 BGADMN C/C(Cl)=C\CN[C@@H](C)c1cccc(O)c1 ZINC000528476962 388533115 /nfs/dbraw/zinc/53/31/15/388533115.db2.gz UORXPCHXFMROGS-ZKXNXJMVSA-N 0 1 225.719 3.185 20 0 BGADMN C/C(Cl)=C/CN[C@H](C)c1cccc(O)c1 ZINC000528478719 388532454 /nfs/dbraw/zinc/53/24/54/388532454.db2.gz UORXPCHXFMROGS-ABRRARGCSA-N 0 1 225.719 3.185 20 0 BGADMN C/C(Cl)=C\CN[C@H](C)c1cccc(O)c1 ZINC000528478722 388532562 /nfs/dbraw/zinc/53/25/62/388532562.db2.gz UORXPCHXFMROGS-OLKPEBQYSA-N 0 1 225.719 3.185 20 0 BGADMN C/C(Cl)=C/CN1CC[C@H](CC(F)(F)F)C1 ZINC000528478818 388531911 /nfs/dbraw/zinc/53/19/11/388531911.db2.gz VNXJQZYSNHAZAY-GNJCPQTGSA-N 0 1 241.684 3.403 20 0 BGADMN C/C(Cl)=C/CN1CC[C@@H](CC(F)(F)F)C1 ZINC000528478821 388533027 /nfs/dbraw/zinc/53/30/27/388533027.db2.gz VNXJQZYSNHAZAY-JWNFGPPVSA-N 0 1 241.684 3.403 20 0 BGADMN C/C(Cl)=C\CN1CC[C@@H](CC(F)(F)F)C1 ZINC000528478824 388532849 /nfs/dbraw/zinc/53/28/49/388532849.db2.gz VNXJQZYSNHAZAY-WWQRDVDESA-N 0 1 241.684 3.403 20 0 BGADMN C/C(Cl)=C\CN1CC[C@H](CC(F)(F)F)C1 ZINC000528478825 388532343 /nfs/dbraw/zinc/53/23/43/388532343.db2.gz VNXJQZYSNHAZAY-YPNJUMGQSA-N 0 1 241.684 3.403 20 0 BGADMN C[C@@H]1CC[C@@H](N(C)Cc2ncccc2Cl)C1 ZINC000528479209 388532077 /nfs/dbraw/zinc/53/20/77/388532077.db2.gz WBXFLXXNARUZTL-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@H](N(C)Cc2ncccc2Cl)C1 ZINC000528479211 388532096 /nfs/dbraw/zinc/53/20/96/388532096.db2.gz WBXFLXXNARUZTL-MNOVXSKESA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CC[C@H](N(C)Cc2ncccc2Cl)C1 ZINC000528479214 388532403 /nfs/dbraw/zinc/53/24/03/388532403.db2.gz WBXFLXXNARUZTL-QWRGUYRKSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CC[C@@H](N(C)Cc2ncccc2Cl)C1 ZINC000528479216 388532949 /nfs/dbraw/zinc/53/29/49/388532949.db2.gz WBXFLXXNARUZTL-WDEREUQCSA-N 0 1 238.762 3.355 20 0 BGADMN CN(Cc1ncccc1Cl)C1(C)CCCC1 ZINC000528483230 388534177 /nfs/dbraw/zinc/53/41/77/388534177.db2.gz DTWDGMJDJGBNOF-UHFFFAOYSA-N 0 1 238.762 3.500 20 0 BGADMN CCN(Cc1ncccc1Cl)CC1CCC1 ZINC000528483380 388533737 /nfs/dbraw/zinc/53/37/37/388533737.db2.gz DFAHHVPRJASKSF-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN C/C(Cl)=C/CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000528484303 388533931 /nfs/dbraw/zinc/53/39/31/388533931.db2.gz HWLAVEKFYHOIMU-IZEHPQQOSA-N 0 1 241.684 3.402 20 0 BGADMN C/C(Cl)=C\CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000528484304 388533566 /nfs/dbraw/zinc/53/35/66/388533566.db2.gz HWLAVEKFYHOIMU-LFTMGRLWSA-N 0 1 241.684 3.402 20 0 BGADMN C/C(Cl)=C/CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000528484305 388530035 /nfs/dbraw/zinc/53/00/35/388530035.db2.gz HWLAVEKFYHOIMU-MTMYIVCTSA-N 0 1 241.684 3.402 20 0 BGADMN C/C(Cl)=C\CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000528484306 388529579 /nfs/dbraw/zinc/52/95/79/388529579.db2.gz HWLAVEKFYHOIMU-UEXUUTQISA-N 0 1 241.684 3.402 20 0 BGADMN C/C(Cl)=C\CNC(C)(C)c1c(C)noc1C ZINC000528504383 388536773 /nfs/dbraw/zinc/53/67/73/388536773.db2.gz MTWUZWWUGQZWRN-SOFGYWHQSA-N 0 1 242.750 3.259 20 0 BGADMN C/C(Cl)=C/CNC(C)(C)c1c(C)noc1C ZINC000528504385 388536972 /nfs/dbraw/zinc/53/69/72/388536972.db2.gz MTWUZWWUGQZWRN-VURMDHGXSA-N 0 1 242.750 3.259 20 0 BGADMN C/C(Cl)=C/CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000528504716 388536232 /nfs/dbraw/zinc/53/62/32/388536232.db2.gz NJTGUDWQDHKBKP-AUSWNFFYSA-N 0 1 243.778 3.018 20 0 BGADMN C/C(Cl)=C\CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000528504722 388536583 /nfs/dbraw/zinc/53/65/83/388536583.db2.gz NJTGUDWQDHKBKP-IUEHSCGASA-N 0 1 243.778 3.018 20 0 BGADMN C/C(Cl)=C/CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000528504725 388536833 /nfs/dbraw/zinc/53/68/33/388536833.db2.gz NJTGUDWQDHKBKP-LIPIYFLUSA-N 0 1 243.778 3.018 20 0 BGADMN C/C(Cl)=C\CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000528504729 388536788 /nfs/dbraw/zinc/53/67/88/388536788.db2.gz NJTGUDWQDHKBKP-RZZPXTMHSA-N 0 1 243.778 3.018 20 0 BGADMN C/C(Cl)=C/CN1CCC(F)(F)[C@@H](C)C1 ZINC000528508166 388538030 /nfs/dbraw/zinc/53/80/30/388538030.db2.gz ZIOQXEPKBOZGOH-CLJBBPMWSA-N 0 1 223.694 3.106 20 0 BGADMN C/C(Cl)=C\CN1CCC(F)(F)[C@@H](C)C1 ZINC000528508167 388537790 /nfs/dbraw/zinc/53/77/90/388537790.db2.gz ZIOQXEPKBOZGOH-FVKOELHVSA-N 0 1 223.694 3.106 20 0 BGADMN C/C(Cl)=C\CN1CCC(F)(F)[C@H](C)C1 ZINC000528508169 388537895 /nfs/dbraw/zinc/53/78/95/388537895.db2.gz ZIOQXEPKBOZGOH-KLUICZCQSA-N 0 1 223.694 3.106 20 0 BGADMN C/C(Cl)=C/CN1CCC(F)(F)[C@H](C)C1 ZINC000528508171 388538871 /nfs/dbraw/zinc/53/88/71/388538871.db2.gz ZIOQXEPKBOZGOH-MMEMACFNSA-N 0 1 223.694 3.106 20 0 BGADMN C/C(Cl)=C\CN[C@H]1CCc2c1cccc2O ZINC000528517161 388539596 /nfs/dbraw/zinc/53/95/96/388539596.db2.gz MZNAKZCLTVQKSM-CRALRDPISA-N 0 1 237.730 3.112 20 0 BGADMN C/C(Cl)=C/CN[C@H]1CCc2c1cccc2O ZINC000528517165 388540282 /nfs/dbraw/zinc/54/02/82/388540282.db2.gz MZNAKZCLTVQKSM-UPZNUWHASA-N 0 1 237.730 3.112 20 0 BGADMN C/C(Cl)=C\CN[C@@H]1CCc2c1cccc2O ZINC000528517167 388540253 /nfs/dbraw/zinc/54/02/53/388540253.db2.gz MZNAKZCLTVQKSM-YPUOHESYSA-N 0 1 237.730 3.112 20 0 BGADMN C/C(Cl)=C/CN[C@@H]1CCc2c1cccc2O ZINC000528517171 388540014 /nfs/dbraw/zinc/54/00/14/388540014.db2.gz MZNAKZCLTVQKSM-ZVTBTPLYSA-N 0 1 237.730 3.112 20 0 BGADMN C/C(Cl)=C\CN1CCC(OC2CCC2)CC1 ZINC000528519552 388540877 /nfs/dbraw/zinc/54/08/77/388540877.db2.gz CVTMSDNFYPHCPT-VZUCSPMQSA-N 0 1 243.778 3.163 20 0 BGADMN C/C(Cl)=C/CN1CCC(OC2CCC2)CC1 ZINC000528519555 388540594 /nfs/dbraw/zinc/54/05/94/388540594.db2.gz CVTMSDNFYPHCPT-WZUFQYTHSA-N 0 1 243.778 3.163 20 0 BGADMN C/C(Cl)=C/CN[C@@H](C)c1cncc(F)c1 ZINC000528523496 388541992 /nfs/dbraw/zinc/54/19/92/388541992.db2.gz VHIPEUBMBRSSQS-CHDHTGKKSA-N 0 1 228.698 3.014 20 0 BGADMN C/C(Cl)=C\CN[C@@H](C)c1cncc(F)c1 ZINC000528523510 388542369 /nfs/dbraw/zinc/54/23/69/388542369.db2.gz VHIPEUBMBRSSQS-IPQKIJNHSA-N 0 1 228.698 3.014 20 0 BGADMN C[C@H]1[C@@H](C)[N@H+](Cc2ncccc2Cl)C[C@H]1C ZINC000528524917 388542675 /nfs/dbraw/zinc/54/26/75/388542675.db2.gz RZDQQZUYUOGWBN-GMTAPVOTSA-N 0 1 238.762 3.211 20 0 BGADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2ncccc2Cl)[C@H]1C ZINC000528524919 388542993 /nfs/dbraw/zinc/54/29/93/388542993.db2.gz RZDQQZUYUOGWBN-MXWKQRLJSA-N 0 1 238.762 3.211 20 0 BGADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ncccc1Cl ZINC000528524923 388542738 /nfs/dbraw/zinc/54/27/38/388542738.db2.gz RZDQQZUYUOGWBN-OUAUKWLOSA-N 0 1 238.762 3.211 20 0 BGADMN C[C@@H]1C[N@@H+](Cc2ncccc2Cl)[C@@H](C)[C@H]1C ZINC000528524926 388542935 /nfs/dbraw/zinc/54/29/35/388542935.db2.gz RZDQQZUYUOGWBN-VWYCJHECSA-N 0 1 238.762 3.211 20 0 BGADMN C[C@@H]1CCN(Cc2ncccc2Cl)[C@H](C)C1 ZINC000528527042 262744240 /nfs/dbraw/zinc/74/42/40/262744240.db2.gz RJRMWAIQBGLDKP-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CC(C)(C)CN1Cc1ncccc1Cl ZINC000528529356 388543444 /nfs/dbraw/zinc/54/34/44/388543444.db2.gz ZZXAZNYDXLJLAG-JTQLQIEISA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC(C)(C)CN1Cc1ncccc1Cl ZINC000528529357 388543723 /nfs/dbraw/zinc/54/37/23/388543723.db2.gz ZZXAZNYDXLJLAG-SNVBAGLBSA-N 0 1 238.762 3.355 20 0 BGADMN Clc1cccnc1CN1CCC12CCCC2 ZINC000528535685 388544647 /nfs/dbraw/zinc/54/46/47/388544647.db2.gz UANVIASQQMBTFC-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN CCCN(Cc1ncccc1Cl)C(C)C ZINC000528540327 388544573 /nfs/dbraw/zinc/54/45/73/388544573.db2.gz WPXPOENJDIYVCF-UHFFFAOYSA-N 0 1 226.751 3.355 20 0 BGADMN CC[C@H](C)N(CC)Cc1ncccc1Cl ZINC000528546607 388545695 /nfs/dbraw/zinc/54/56/95/388545695.db2.gz SSSGJLFSMPEUNR-JTQLQIEISA-N 0 1 226.751 3.355 20 0 BGADMN CC[C@@H](C)N(CC)Cc1ncccc1Cl ZINC000528546609 388546284 /nfs/dbraw/zinc/54/62/84/388546284.db2.gz SSSGJLFSMPEUNR-SNVBAGLBSA-N 0 1 226.751 3.355 20 0 BGADMN CN(Cc1ncccc1Cl)C[C@@H]1CC1(C)C ZINC000528559806 388545853 /nfs/dbraw/zinc/54/58/53/388545853.db2.gz CYDRSWNZLGVBDS-JTQLQIEISA-N 0 1 238.762 3.213 20 0 BGADMN CN(Cc1ncccc1Cl)C[C@H]1CC1(C)C ZINC000528559807 388545677 /nfs/dbraw/zinc/54/56/77/388545677.db2.gz CYDRSWNZLGVBDS-SNVBAGLBSA-N 0 1 238.762 3.213 20 0 BGADMN CC(C)CC1(NCc2ncccc2Cl)CC1 ZINC000528559875 388546194 /nfs/dbraw/zinc/54/61/94/388546194.db2.gz CZMCWOXUZTVGLC-UHFFFAOYSA-N 0 1 238.762 3.403 20 0 BGADMN Cl/C=C/CN[C@@H](c1ccccn1)C1CCC1 ZINC000528651348 388555308 /nfs/dbraw/zinc/55/53/08/388555308.db2.gz QZZIEACVQWEZPH-FLUIGGAXSA-N 0 1 236.746 3.265 20 0 BGADMN Cl/C=C/CN[C@H](c1ccccn1)C1CCC1 ZINC000528651350 388555747 /nfs/dbraw/zinc/55/57/47/388555747.db2.gz QZZIEACVQWEZPH-GBVBUYCNSA-N 0 1 236.746 3.265 20 0 BGADMN Cl/C=C\CN[C@@H](c1ccccn1)C1CCC1 ZINC000528651352 262964132 /nfs/dbraw/zinc/96/41/32/262964132.db2.gz QZZIEACVQWEZPH-IBSXUBTNSA-N 0 1 236.746 3.265 20 0 BGADMN Cl/C=C\CN[C@H](c1ccccn1)C1CCC1 ZINC000528651353 388555890 /nfs/dbraw/zinc/55/58/90/388555890.db2.gz QZZIEACVQWEZPH-UKOWJOKBSA-N 0 1 236.746 3.265 20 0 BGADMN CC[C@H](F)CN[C@@H](c1ccccn1)C1CCC1 ZINC000528658213 388555469 /nfs/dbraw/zinc/55/54/69/388555469.db2.gz MGIPZMOMKXBIPA-GXTWGEPZSA-N 0 1 236.334 3.261 20 0 BGADMN CC[C@H](F)CN[C@H](c1ccccn1)C1CCC1 ZINC000528658217 388555961 /nfs/dbraw/zinc/55/59/61/388555961.db2.gz MGIPZMOMKXBIPA-JSGCOSHPSA-N 0 1 236.334 3.261 20 0 BGADMN CC[C@@H](F)CN[C@H](c1ccccn1)C1CCC1 ZINC000528658220 388555502 /nfs/dbraw/zinc/55/55/02/388555502.db2.gz MGIPZMOMKXBIPA-OCCSQVGLSA-N 0 1 236.334 3.261 20 0 BGADMN CC[C@@H](F)CN[C@@H](c1ccccn1)C1CCC1 ZINC000528658223 388555956 /nfs/dbraw/zinc/55/59/56/388555956.db2.gz MGIPZMOMKXBIPA-TZMCWYRMSA-N 0 1 236.334 3.261 20 0 BGADMN CCCN1CCc2c(cccc2C(F)(F)F)C1 ZINC000528716443 388559267 /nfs/dbraw/zinc/55/92/67/388559267.db2.gz RRDMDDHIXHLXQE-UHFFFAOYSA-N 0 1 243.272 3.474 20 0 BGADMN C[C@H]1CC(F)(F)CCN1Cc1cccc(F)c1 ZINC000528761356 388568708 /nfs/dbraw/zinc/56/87/08/388568708.db2.gz DDTDODNKQOEERC-JTQLQIEISA-N 0 1 243.272 3.445 20 0 BGADMN C[C@@H]1CC(F)(F)CCN1Cc1cccc(F)c1 ZINC000528761358 388568814 /nfs/dbraw/zinc/56/88/14/388568814.db2.gz DDTDODNKQOEERC-SNVBAGLBSA-N 0 1 243.272 3.445 20 0 BGADMN Cc1cccc([C@@H](NCc2ccno2)C(C)C)c1 ZINC000528763747 388569081 /nfs/dbraw/zinc/56/90/81/388569081.db2.gz ILCNXDQLVAABMS-HNNXBMFYSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1cccc([C@H](NCc2ccno2)C(C)C)c1 ZINC000528763748 388568852 /nfs/dbraw/zinc/56/88/52/388568852.db2.gz ILCNXDQLVAABMS-OAHLLOKOSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1ccncc1CN1CCC(F)(F)C[C@H]1C ZINC000528764284 262971921 /nfs/dbraw/zinc/97/19/21/262971921.db2.gz AXEWPHBYZZKXMH-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ccncc1CN1CCC(F)(F)C[C@@H]1C ZINC000528764314 388568832 /nfs/dbraw/zinc/56/88/32/388568832.db2.gz AXEWPHBYZZKXMH-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN C[C@H]1CC(F)(F)CCN1Cc1ccccc1F ZINC000528764582 388569269 /nfs/dbraw/zinc/56/92/69/388569269.db2.gz SGRLYEOCKIEKQP-JTQLQIEISA-N 0 1 243.272 3.445 20 0 BGADMN C[C@@H]1CC(F)(F)CCN1Cc1ccccc1F ZINC000528764598 388568848 /nfs/dbraw/zinc/56/88/48/388568848.db2.gz SGRLYEOCKIEKQP-SNVBAGLBSA-N 0 1 243.272 3.445 20 0 BGADMN Cc1ncsc1CN1CCC(F)(F)C[C@H]1C ZINC000528765071 388568806 /nfs/dbraw/zinc/56/88/06/388568806.db2.gz ACEJCXOPWMFLOP-MRVPVSSYSA-N 0 1 246.326 3.071 20 0 BGADMN Cc1ncsc1CN1CCC(F)(F)C[C@@H]1C ZINC000528765075 388568750 /nfs/dbraw/zinc/56/87/50/388568750.db2.gz ACEJCXOPWMFLOP-QMMMGPOBSA-N 0 1 246.326 3.071 20 0 BGADMN Cc1ccnc(CN2CCC(F)(F)C[C@H]2C)c1 ZINC000528766122 388569156 /nfs/dbraw/zinc/56/91/56/388569156.db2.gz CVUVADVGAHUQFR-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ccnc(CN2CCC(F)(F)C[C@@H]2C)c1 ZINC000528766124 388569589 /nfs/dbraw/zinc/56/95/89/388569589.db2.gz CVUVADVGAHUQFR-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN C[C@H]1CC(F)(F)CCN1Cc1ccc(F)cc1 ZINC000528768082 388570030 /nfs/dbraw/zinc/57/00/30/388570030.db2.gz NBGIQFWMZKUAFB-JTQLQIEISA-N 0 1 243.272 3.445 20 0 BGADMN C[C@@H]1CC(F)(F)CCN1Cc1ccc(F)cc1 ZINC000528768083 262972241 /nfs/dbraw/zinc/97/22/41/262972241.db2.gz 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20 0 BGADMN Cc1cccnc1CN1CCC(F)(F)C[C@H]1C ZINC000528773791 411243684 /nfs/dbraw/zinc/24/36/84/411243684.db2.gz RGPHXLCJAUXCMC-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1cccnc1CN1CCC(F)(F)C[C@@H]1C ZINC000528773793 411243733 /nfs/dbraw/zinc/24/37/33/411243733.db2.gz RGPHXLCJAUXCMC-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN C[C@H](CN(C)Cc1ccn(C)n1)C1CCCCC1 ZINC000528775042 388571927 /nfs/dbraw/zinc/57/19/27/388571927.db2.gz UXPFHOLHBOTLKQ-CYBMUJFWSA-N 0 1 249.402 3.068 20 0 BGADMN C[C@H](C[N@@H+](C)Cc1ccn(C)n1)C1CCCCC1 ZINC000528775042 388571926 /nfs/dbraw/zinc/57/19/26/388571926.db2.gz UXPFHOLHBOTLKQ-CYBMUJFWSA-N 0 1 249.402 3.068 20 0 BGADMN C[C@@H](CN(C)Cc1ccn(C)n1)C1CCCCC1 ZINC000528775045 388571031 /nfs/dbraw/zinc/57/10/31/388571031.db2.gz UXPFHOLHBOTLKQ-ZDUSSCGKSA-N 0 1 249.402 3.068 20 0 BGADMN C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)C1CCCCC1 ZINC000528775045 388571029 /nfs/dbraw/zinc/57/10/29/388571029.db2.gz UXPFHOLHBOTLKQ-ZDUSSCGKSA-N 0 1 249.402 3.068 20 0 BGADMN 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BGADMN CC1(C)CCN1C/C=C/c1ccc(F)cc1F ZINC000543632185 325099468 /nfs/dbraw/zinc/09/94/68/325099468.db2.gz WKNWLOUFCOFVIN-ONEGZZNKSA-N 0 1 237.293 3.462 20 0 BGADMN CCc1cnc(CN2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000543811911 325115531 /nfs/dbraw/zinc/11/55/31/325115531.db2.gz YNIHWDCCBPOXPC-DOMZBBRYSA-N 0 1 248.370 3.249 20 0 BGADMN CCc1cnc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000543811920 325115099 /nfs/dbraw/zinc/11/50/99/325115099.db2.gz YNIHWDCCBPOXPC-IUODEOHRSA-N 0 1 248.370 3.249 20 0 BGADMN CCc1cnc(CN2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000543811921 325115490 /nfs/dbraw/zinc/11/54/90/325115490.db2.gz YNIHWDCCBPOXPC-SWLSCSKDSA-N 0 1 248.370 3.249 20 0 BGADMN CCc1cnc(CN2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000543811922 325115549 /nfs/dbraw/zinc/11/55/49/325115549.db2.gz YNIHWDCCBPOXPC-WFASDCNBSA-N 0 1 248.370 3.249 20 0 BGADMN FC1=CCCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000543841765 325116916 /nfs/dbraw/zinc/11/69/16/325116916.db2.gz DFIOVIABTFUMLE-CYBMUJFWSA-N 0 1 245.341 3.351 20 0 BGADMN FC1=CCCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000543841769 325116839 /nfs/dbraw/zinc/11/68/39/325116839.db2.gz DFIOVIABTFUMLE-ZDUSSCGKSA-N 0 1 245.341 3.351 20 0 BGADMN CCc1cnc(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000544107764 325131203 /nfs/dbraw/zinc/13/12/03/325131203.db2.gz UUOWUSFVJGWQER-GFCCVEGCSA-N 0 1 234.343 3.025 20 0 BGADMN CCc1cnc(CN(C)C[C@H]2CC=CCC2)o1 ZINC000544107765 325131156 /nfs/dbraw/zinc/13/11/56/325131156.db2.gz UUOWUSFVJGWQER-LBPRGKRZSA-N 0 1 234.343 3.025 20 0 BGADMN Cc1ccc(CCCN2CCC=C(F)C2)cc1 ZINC000544126463 325132887 /nfs/dbraw/zinc/13/28/87/325132887.db2.gz DGMOIVOMCHCCIA-UHFFFAOYSA-N 0 1 233.330 3.487 20 0 BGADMN Cc1ccccc1CCCN[C@H](C)c1ccon1 ZINC000544546638 325147441 /nfs/dbraw/zinc/14/74/41/325147441.db2.gz BQQBQWRCDWZDCQ-CYBMUJFWSA-N 0 1 244.338 3.266 20 0 BGADMN Cc1ccccc1CCCN[C@@H](C)c1ccon1 ZINC000544546639 325147738 /nfs/dbraw/zinc/14/77/38/325147738.db2.gz BQQBQWRCDWZDCQ-ZDUSSCGKSA-N 0 1 244.338 3.266 20 0 BGADMN CCCN(CC(=O)OC(C)(C)C)C[C@H](C)CC ZINC000544550421 325148354 /nfs/dbraw/zinc/14/83/54/325148354.db2.gz UDEWMCBBPFMUPM-GFCCVEGCSA-N 0 1 243.391 3.086 20 0 BGADMN CCCN(CC(=O)OC(C)(C)C)C[C@@H](C)CC ZINC000544550422 325148432 /nfs/dbraw/zinc/14/84/32/325148432.db2.gz UDEWMCBBPFMUPM-LBPRGKRZSA-N 0 1 243.391 3.086 20 0 BGADMN CCc1ccc(CN(C)Cc2ccccn2)s1 ZINC000544596964 325150952 /nfs/dbraw/zinc/15/09/52/325150952.db2.gz FLJCSBOBAWDBMZ-UHFFFAOYSA-N 0 1 246.379 3.338 20 0 BGADMN C[C@H](CC1CCCCC1)CN(C)Cc1cc[nH]n1 ZINC000544611975 325151979 /nfs/dbraw/zinc/15/19/79/325151979.db2.gz RTCLSHQCNIXUMW-CYBMUJFWSA-N 0 1 249.402 3.448 20 0 BGADMN C[C@@H](CC1CCCCC1)CN(C)Cc1cc[nH]n1 ZINC000544611976 325151764 /nfs/dbraw/zinc/15/17/64/325151764.db2.gz RTCLSHQCNIXUMW-ZDUSSCGKSA-N 0 1 249.402 3.448 20 0 BGADMN Cc1cccc(C)c1[C@@H](C)NCc1ccno1 ZINC000544896241 325165769 /nfs/dbraw/zinc/16/57/69/325165769.db2.gz QTLMXMHIUKQYLY-GFCCVEGCSA-N 0 1 230.311 3.142 20 0 BGADMN Cc1cccc(C)c1[C@H](C)NCc1ccno1 ZINC000544896242 325165748 /nfs/dbraw/zinc/16/57/48/325165748.db2.gz QTLMXMHIUKQYLY-LBPRGKRZSA-N 0 1 230.311 3.142 20 0 BGADMN C[C@H]1C[C@H]1c1ccc(CN(C)C[C@H]2CCCO2)o1 ZINC000544901546 325166175 /nfs/dbraw/zinc/16/61/75/325166175.db2.gz IKJLDGXNWTWJMW-OUCADQQQSA-N 0 1 249.354 3.014 20 0 BGADMN C[C@H]1C[C@@H]1c1ccc(CN(C)C[C@H]2CCCO2)o1 ZINC000544901550 325166284 /nfs/dbraw/zinc/16/62/84/325166284.db2.gz IKJLDGXNWTWJMW-SCRDCRAPSA-N 0 1 249.354 3.014 20 0 BGADMN CCn1nc(CN2CCC2(C)C)c2ccccc21 ZINC000545328597 325213602 /nfs/dbraw/zinc/21/36/02/325213602.db2.gz OAUPTBVCZZDFCE-UHFFFAOYSA-N 0 1 243.354 3.041 20 0 BGADMN CC(C)N(Cc1ncc(Cl)s1)CC1CC1 ZINC000545328642 325213852 /nfs/dbraw/zinc/21/38/52/325213852.db2.gz GUOATBDVLWGRBC-UHFFFAOYSA-N 0 1 244.791 3.417 20 0 BGADMN CCc1cnc(CN2CC[C@@H](C)C(C)(C)C2)o1 ZINC000545419483 325220936 /nfs/dbraw/zinc/22/09/36/325220936.db2.gz VNRSTKLCAUCVNP-LLVKDONJSA-N 0 1 236.359 3.105 20 0 BGADMN CCc1cnc(CN2CC[C@H](C)C(C)(C)C2)o1 ZINC000545419484 325220605 /nfs/dbraw/zinc/22/06/05/325220605.db2.gz VNRSTKLCAUCVNP-NSHDSACASA-N 0 1 236.359 3.105 20 0 BGADMN CCSCCNc1ccc2c(c1)nc(C)n2C ZINC000545589881 325230316 /nfs/dbraw/zinc/23/03/16/325230316.db2.gz FHNKWNPZWTZSIK-UHFFFAOYSA-N 0 1 249.383 3.047 20 0 BGADMN Cc1cc(CN[C@H](C)CCC2CCCC2)no1 ZINC000545952860 325250489 /nfs/dbraw/zinc/25/04/89/325250489.db2.gz ZQQUAHCQZSMKRH-LLVKDONJSA-N 0 1 236.359 3.432 20 0 BGADMN Cc1cc(CN[C@@H](C)CCC2CCCC2)no1 ZINC000545952861 325250513 /nfs/dbraw/zinc/25/05/13/325250513.db2.gz ZQQUAHCQZSMKRH-NSHDSACASA-N 0 1 236.359 3.432 20 0 BGADMN CCCC[C@@H](CC)CN(C)Cc1ccon1 ZINC000546223898 325271876 /nfs/dbraw/zinc/27/18/76/325271876.db2.gz YIZXLNIHRRAXMS-GFCCVEGCSA-N 0 1 224.348 3.323 20 0 BGADMN CCCC[C@H](CC)CN(C)Cc1ccon1 ZINC000546223899 325272105 /nfs/dbraw/zinc/27/21/05/325272105.db2.gz YIZXLNIHRRAXMS-LBPRGKRZSA-N 0 1 224.348 3.323 20 0 BGADMN CCCC[C@@H](CC)CN(C)Cc1cc[nH]n1 ZINC000546932725 325318823 /nfs/dbraw/zinc/31/88/23/325318823.db2.gz CGHCDUXLHMVMRZ-GFCCVEGCSA-N 0 1 223.364 3.058 20 0 BGADMN CCCC[C@H](CC)CN(C)Cc1cc[nH]n1 ZINC000546932726 325318726 /nfs/dbraw/zinc/31/87/26/325318726.db2.gz CGHCDUXLHMVMRZ-LBPRGKRZSA-N 0 1 223.364 3.058 20 0 BGADMN CCCC[C@@H](CC)CN[C@@H](C)c1nnc(C)o1 ZINC000546932735 325318874 /nfs/dbraw/zinc/31/88/74/325318874.db2.gz DBCMDLPCRUYSGH-CMPLNLGQSA-N 0 1 239.363 3.245 20 0 BGADMN CCCC[C@H](CC)CN[C@@H](C)c1nnc(C)o1 ZINC000546932736 325318690 /nfs/dbraw/zinc/31/86/90/325318690.db2.gz DBCMDLPCRUYSGH-JQWIXIFHSA-N 0 1 239.363 3.245 20 0 BGADMN CCCC[C@H](CC)CN[C@H](C)c1nnc(C)o1 ZINC000546932737 325318962 /nfs/dbraw/zinc/31/89/62/325318962.db2.gz DBCMDLPCRUYSGH-PWSUYJOCSA-N 0 1 239.363 3.245 20 0 BGADMN CCCC[C@@H](CC)CN[C@H](C)c1nnc(C)o1 ZINC000546932738 325318739 /nfs/dbraw/zinc/31/87/39/325318739.db2.gz DBCMDLPCRUYSGH-ZYHUDNBSSA-N 0 1 239.363 3.245 20 0 BGADMN Cc1cc(-c2noc(C(C)C)n2)cc2nc[nH]c21 ZINC000547143522 325327631 /nfs/dbraw/zinc/32/76/31/325327631.db2.gz OGMLOCUIOIPHNQ-UHFFFAOYSA-N 0 1 242.282 3.045 20 0 BGADMN c1nc(C2CC2)sc1CN1CCCC2(CC2)C1 ZINC000547442508 325355163 /nfs/dbraw/zinc/35/51/63/325355163.db2.gz QDFLTWYASKRETF-UHFFFAOYSA-N 0 1 248.395 3.397 20 0 BGADMN Cc1nc(C)c(COc2cc(C)nc(C)c2)s1 ZINC000547491800 325363775 /nfs/dbraw/zinc/36/37/75/325363775.db2.gz LRWVBEPDWUSJSE-UHFFFAOYSA-N 0 1 248.351 3.351 20 0 BGADMN Cc1cc(OCCc2ccccc2)cc(C)n1 ZINC000547492113 325363656 /nfs/dbraw/zinc/36/36/56/325363656.db2.gz ONYRGBASLVSGQZ-UHFFFAOYSA-N 0 1 227.307 3.320 20 0 BGADMN C[C@H]1C[C@H](C)N1Cc1cc(-c2ccccc2)no1 ZINC000547768638 325394193 /nfs/dbraw/zinc/39/41/93/325394193.db2.gz IXZITZYJSCEVPR-RYUDHWBXSA-N 0 1 242.322 3.324 20 0 BGADMN C[C@@H]1C[C@H](C)N1Cc1cc(-c2ccccc2)no1 ZINC000547768639 325394337 /nfs/dbraw/zinc/39/43/37/325394337.db2.gz IXZITZYJSCEVPR-TXEJJXNPSA-N 0 1 242.322 3.324 20 0 BGADMN C[C@@H]1C[C@@H](C)N1Cc1cc(-c2ccccc2)no1 ZINC000547768640 325394189 /nfs/dbraw/zinc/39/41/89/325394189.db2.gz IXZITZYJSCEVPR-VXGBXAGGSA-N 0 1 242.322 3.324 20 0 BGADMN C[C@@H](c1nc2ccccc2o1)N1[C@H](C)C[C@@H]1C ZINC000547769460 325394938 /nfs/dbraw/zinc/39/49/38/325394938.db2.gz XAUSBNFVPCHEAL-AXFHLTTASA-N 0 1 230.311 3.372 20 0 BGADMN C[C@H](c1nc2ccccc2o1)N1[C@H](C)C[C@H]1C ZINC000547769461 325394886 /nfs/dbraw/zinc/39/48/86/325394886.db2.gz XAUSBNFVPCHEAL-GMTAPVOTSA-N 0 1 230.311 3.372 20 0 BGADMN C[C@@H](c1nc2ccccc2o1)N1[C@H](C)C[C@H]1C ZINC000547769462 325394783 /nfs/dbraw/zinc/39/47/83/325394783.db2.gz XAUSBNFVPCHEAL-MXWKQRLJSA-N 0 1 230.311 3.372 20 0 BGADMN C[C@H](c1nc2ccccc2o1)N1[C@H](C)C[C@@H]1C ZINC000547769463 325395058 /nfs/dbraw/zinc/39/50/58/325395058.db2.gz XAUSBNFVPCHEAL-OUAUKWLOSA-N 0 1 230.311 3.372 20 0 BGADMN C[C@H]1C[C@H](C)N1Cc1cccc(OC(C)(C)C)n1 ZINC000547770091 325395367 /nfs/dbraw/zinc/39/53/67/325395367.db2.gz GBFVKJNHQZEQDZ-RYUDHWBXSA-N 0 1 248.370 3.242 20 0 BGADMN C[C@@H]1C[C@H](C)N1Cc1cccc(OC(C)(C)C)n1 ZINC000547770092 325395457 /nfs/dbraw/zinc/39/54/57/325395457.db2.gz GBFVKJNHQZEQDZ-TXEJJXNPSA-N 0 1 248.370 3.242 20 0 BGADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(OC(C)(C)C)n1 ZINC000547770093 325395426 /nfs/dbraw/zinc/39/54/26/325395426.db2.gz GBFVKJNHQZEQDZ-VXGBXAGGSA-N 0 1 248.370 3.242 20 0 BGADMN COc1ccc(CN2[C@H](C)C[C@@H]2C)cc1Cl ZINC000547770116 325395682 /nfs/dbraw/zinc/39/56/82/325395682.db2.gz LZCPJPDHAXAZPH-AOOOYVTPSA-N 0 1 239.746 3.331 20 0 BGADMN COc1ccc(CN2[C@H](C)C[C@H]2C)cc1Cl ZINC000547770117 325395611 /nfs/dbraw/zinc/39/56/11/325395611.db2.gz LZCPJPDHAXAZPH-NXEZZACHSA-N 0 1 239.746 3.331 20 0 BGADMN COc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1Cl ZINC000547770118 325395323 /nfs/dbraw/zinc/39/53/23/325395323.db2.gz LZCPJPDHAXAZPH-UWVGGRQHSA-N 0 1 239.746 3.331 20 0 BGADMN C[C@@H]1C[C@@H](C)N1CCOc1ccccc1Cl ZINC000547770653 325395698 /nfs/dbraw/zinc/39/56/98/325395698.db2.gz ZXTWIBVAXSQNAD-GHMZBOCLSA-N 0 1 239.746 3.202 20 0 BGADMN C[C@@H]1C[C@H](C)N1CCOc1ccccc1Cl ZINC000547770654 325395501 /nfs/dbraw/zinc/39/55/01/325395501.db2.gz ZXTWIBVAXSQNAD-PHIMTYICSA-N 0 1 239.746 3.202 20 0 BGADMN C[C@H]1C[C@H](C)N1CCOc1ccccc1Cl ZINC000547770655 325395594 /nfs/dbraw/zinc/39/55/94/325395594.db2.gz ZXTWIBVAXSQNAD-QWRGUYRKSA-N 0 1 239.746 3.202 20 0 BGADMN C/C(=C\c1cc(F)c(O)c(F)c1)c1cnccn1 ZINC000547811696 388485519 /nfs/dbraw/zinc/48/55/19/388485519.db2.gz KJDXXOBTSMHRHY-XBXARRHUSA-N 0 1 248.232 3.021 20 0 BGADMN Cc1ccc(COc2cc(C)nc(C)c2)c(C)n1 ZINC000547814483 388487029 /nfs/dbraw/zinc/48/70/29/388487029.db2.gz FARFDKQDYZPMSS-UHFFFAOYSA-N 0 1 242.322 3.289 20 0 BGADMN Cc1cc(OCC2CCCC2)cc(C)n1 ZINC000547814693 388487202 /nfs/dbraw/zinc/48/72/02/388487202.db2.gz NZDFKZZDVLVTKN-UHFFFAOYSA-N 0 1 205.301 3.267 20 0 BGADMN Cc1cc(OCc2ccccc2F)cc(C)n1 ZINC000547814846 388487089 /nfs/dbraw/zinc/48/70/89/388487089.db2.gz WTNOKKODOXUAEH-UHFFFAOYSA-N 0 1 231.270 3.417 20 0 BGADMN Fc1cc(Cl)cc(CN2CCCCC2)c1 ZINC000547931072 325412832 /nfs/dbraw/zinc/41/28/32/325412832.db2.gz QICLKSUALJXQRO-UHFFFAOYSA-N 0 1 227.710 3.465 20 0 BGADMN CCC[N@@H+](CCCC(=O)[O-])Cc1ccc(C)cc1 ZINC000547971765 388499515 /nfs/dbraw/zinc/49/95/15/388499515.db2.gz FTJKNDWMMBWXNI-UHFFFAOYSA-N 0 1 249.354 3.072 20 0 BGADMN C[C@@H]1C[C@H](C)N1Cc1ccccc1OC(F)F ZINC000548097714 388512187 /nfs/dbraw/zinc/51/21/87/388512187.db2.gz YGHOHNZKKOQFBB-AOOOYVTPSA-N 0 1 241.281 3.271 20 0 BGADMN C[C@@H]1C[C@@H](C)N1Cc1ccccc1OC(F)F ZINC000548097715 387992523 /nfs/dbraw/zinc/99/25/23/387992523.db2.gz YGHOHNZKKOQFBB-NXEZZACHSA-N 0 1 241.281 3.271 20 0 BGADMN C[C@H]1C[C@H](C)N1Cc1ccccc1OC(F)F ZINC000548097716 387993870 /nfs/dbraw/zinc/99/38/70/387993870.db2.gz YGHOHNZKKOQFBB-UWVGGRQHSA-N 0 1 241.281 3.271 20 0 BGADMN COc1ccc(Cl)c(CN2[C@H](C)C[C@@H]2C)c1 ZINC000548098125 388512083 /nfs/dbraw/zinc/51/20/83/388512083.db2.gz PTKMPCPAQSNKQB-AOOOYVTPSA-N 0 1 239.746 3.331 20 0 BGADMN COc1ccc(Cl)c(CN2[C@H](C)C[C@H]2C)c1 ZINC000548098126 325430014 /nfs/dbraw/zinc/43/00/14/325430014.db2.gz PTKMPCPAQSNKQB-NXEZZACHSA-N 0 1 239.746 3.331 20 0 BGADMN COc1ccc(Cl)c(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000548098127 325430099 /nfs/dbraw/zinc/43/00/99/325430099.db2.gz PTKMPCPAQSNKQB-UWVGGRQHSA-N 0 1 239.746 3.331 20 0 BGADMN CC/C=C/CCOc1cc(C)nc(C)c1 ZINC000548142580 325435143 /nfs/dbraw/zinc/43/51/43/325435143.db2.gz UBUSHNXHVHIYMS-AATRIKPKSA-N 0 1 205.301 3.434 20 0 BGADMN CC/C=C\CCOc1cc(C)nc(C)c1 ZINC000548142581 388516580 /nfs/dbraw/zinc/51/65/80/388516580.db2.gz UBUSHNXHVHIYMS-WAYWQWQTSA-N 0 1 205.301 3.434 20 0 BGADMN C[C@@H]1C[C@H](C)N1Cc1cccc(Cl)c1 ZINC000548425207 359647038 /nfs/dbraw/zinc/64/70/38/359647038.db2.gz XGARMIYEXVHIEC-AOOOYVTPSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(Cl)c1 ZINC000548425208 359646966 /nfs/dbraw/zinc/64/69/66/359646966.db2.gz XGARMIYEXVHIEC-NXEZZACHSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@H]1C[C@H](C)N1Cc1cccc(Cl)c1 ZINC000548425209 359647030 /nfs/dbraw/zinc/64/70/30/359647030.db2.gz XGARMIYEXVHIEC-UWVGGRQHSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@@H]1C[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000548426086 388536616 /nfs/dbraw/zinc/53/66/16/388536616.db2.gz OEXYSLLVDMIWCG-AOOOYVTPSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@@H]1C[C@@H](C)N1Cc1ccc(Cl)cc1 ZINC000548426087 388537023 /nfs/dbraw/zinc/53/70/23/388537023.db2.gz OEXYSLLVDMIWCG-NXEZZACHSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@H]1C[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000548426088 388536740 /nfs/dbraw/zinc/53/67/40/388536740.db2.gz OEXYSLLVDMIWCG-UWVGGRQHSA-N 0 1 209.720 3.323 20 0 BGADMN Cc1cc(OCc2ccn(C(C)C)n2)cc(C)n1 ZINC000548470069 388542482 /nfs/dbraw/zinc/54/24/82/388542482.db2.gz NXJIHAVGJSPVLG-UHFFFAOYSA-N 0 1 245.326 3.055 20 0 BGADMN Cc1csc(COc2cc(C)nc(C)c2)n1 ZINC000548470139 325461608 /nfs/dbraw/zinc/46/16/08/325461608.db2.gz KLKLSJXYZGUTCA-UHFFFAOYSA-N 0 1 234.324 3.042 20 0 BGADMN c1ccc(-c2n[nH]c(SCCC3CC3)n2)cc1 ZINC000548475836 388542095 /nfs/dbraw/zinc/54/20/95/388542095.db2.gz YDPXEMMSMVDSBE-UHFFFAOYSA-N 0 1 245.351 3.364 20 0 BGADMN CCc1cnc(CN2CCC[C@@H](C(C)C)C2)o1 ZINC000548734152 388555904 /nfs/dbraw/zinc/55/59/04/388555904.db2.gz CXNGLSBGBLMBAU-GFCCVEGCSA-N 0 1 236.359 3.105 20 0 BGADMN CCc1cnc(CN2CCC[C@H](C(C)C)C2)o1 ZINC000548734153 388556145 /nfs/dbraw/zinc/55/61/45/388556145.db2.gz CXNGLSBGBLMBAU-LBPRGKRZSA-N 0 1 236.359 3.105 20 0 BGADMN C[C@@H]1C[C@H](C)N1Cc1ccccc1Cl ZINC000548754729 388557255 /nfs/dbraw/zinc/55/72/55/388557255.db2.gz KEQZPTGTFMLEQS-AOOOYVTPSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@@H]1C[C@@H](C)N1Cc1ccccc1Cl ZINC000548754730 325479260 /nfs/dbraw/zinc/47/92/60/325479260.db2.gz KEQZPTGTFMLEQS-NXEZZACHSA-N 0 1 209.720 3.323 20 0 BGADMN C[C@H]1C[C@H](C)N1Cc1ccccc1Cl ZINC000548754731 388557692 /nfs/dbraw/zinc/55/76/92/388557692.db2.gz KEQZPTGTFMLEQS-UWVGGRQHSA-N 0 1 209.720 3.323 20 0 BGADMN CN(Cc1ccoc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000548912549 398138827 /nfs/dbraw/zinc/13/88/27/398138827.db2.gz OVVGTTNYBWVCEF-AWEZNQCLSA-N 0 1 249.354 3.203 20 0 BGADMN CN(Cc1ccoc1)C[C@H]1CCC2(CCCC2)O1 ZINC000548912550 398138868 /nfs/dbraw/zinc/13/88/68/398138868.db2.gz OVVGTTNYBWVCEF-CQSZACIVSA-N 0 1 249.354 3.203 20 0 BGADMN Cc1ccc2[nH]c(CN3CC(C)C3)cc2c1C ZINC000549411611 325502385 /nfs/dbraw/zinc/50/23/85/325502385.db2.gz LXEFVZJAIZOJJE-UHFFFAOYSA-N 0 1 228.339 3.236 20 0 BGADMN CC[C@@H](CN1CCOCC12CC2)c1ccccc1 ZINC000549847098 388593037 /nfs/dbraw/zinc/59/30/37/388593037.db2.gz BDHOWOHNWFPKNG-AWEZNQCLSA-N 0 1 245.366 3.045 20 0 BGADMN CC[C@H](CN1CCOCC12CC2)c1ccccc1 ZINC000549847100 388593099 /nfs/dbraw/zinc/59/30/99/388593099.db2.gz BDHOWOHNWFPKNG-CQSZACIVSA-N 0 1 245.366 3.045 20 0 BGADMN COCCC1(CNCC(C)(F)F)CCCCC1 ZINC000549864085 388594108 /nfs/dbraw/zinc/59/41/08/388594108.db2.gz TVAUNYAPVRAVDS-UHFFFAOYSA-N 0 1 249.345 3.218 20 0 BGADMN Cc1ccc(OCCC[N@@H+]2C[C@H](C)[C@@H]2C)cc1C ZINC000549923894 384365391 /nfs/dbraw/zinc/36/53/91/384365391.db2.gz OEDNXOCXLAUCMY-GJZGRUSLSA-N 0 1 247.382 3.413 20 0 BGADMN Cc1ccc(OCCC[N@@H+]2C[C@@H](C)[C@H]2C)cc1C ZINC000549923895 384364993 /nfs/dbraw/zinc/36/49/93/384364993.db2.gz OEDNXOCXLAUCMY-HUUCEWRRSA-N 0 1 247.382 3.413 20 0 BGADMN Cc1ccc(OCCC[N@@H+]2C[C@H](C)[C@H]2C)cc1C ZINC000549923896 384366668 /nfs/dbraw/zinc/36/66/68/384366668.db2.gz OEDNXOCXLAUCMY-LSDHHAIUSA-N 0 1 247.382 3.413 20 0 BGADMN COC[C@H](N[C@H]1C=CCCCCC1)c1ccco1 ZINC000549931841 388595946 /nfs/dbraw/zinc/59/59/46/388595946.db2.gz KYNFZYCPVFIDMJ-KBPBESRZSA-N 0 1 249.354 3.446 20 0 BGADMN COC[C@H](N[C@@H]1C=CCCCCC1)c1ccco1 ZINC000549931849 388595480 /nfs/dbraw/zinc/59/54/80/388595480.db2.gz KYNFZYCPVFIDMJ-KGLIPLIRSA-N 0 1 249.354 3.446 20 0 BGADMN COC[C@@H](N[C@H]1C=CCCCCC1)c1ccco1 ZINC000549931851 325519625 /nfs/dbraw/zinc/51/96/25/325519625.db2.gz KYNFZYCPVFIDMJ-UONOGXRCSA-N 0 1 249.354 3.446 20 0 BGADMN COC[C@@H](N[C@@H]1C=CCCCCC1)c1ccco1 ZINC000549931853 388595786 /nfs/dbraw/zinc/59/57/86/388595786.db2.gz KYNFZYCPVFIDMJ-ZIAGYGMSSA-N 0 1 249.354 3.446 20 0 BGADMN CCc1cccc(F)c1CN[C@@H]1CCC[C@@H]1F ZINC000550322497 487731118 /nfs/dbraw/zinc/73/11/18/487731118.db2.gz FTQBQZCXWKKAPJ-UONOGXRCSA-N 0 1 239.309 3.368 20 0 BGADMN CC(F)(F)CN[C@H](Cc1ccccc1)C1CC1 ZINC000550858120 388616436 /nfs/dbraw/zinc/61/64/36/388616436.db2.gz KGYGDMXUGYOKPF-CYBMUJFWSA-N 0 1 239.309 3.253 20 0 BGADMN CC(F)(F)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000550858121 388616521 /nfs/dbraw/zinc/61/65/21/388616521.db2.gz KGYGDMXUGYOKPF-ZDUSSCGKSA-N 0 1 239.309 3.253 20 0 BGADMN CCC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccn1 ZINC000550928804 325543507 /nfs/dbraw/zinc/54/35/07/325543507.db2.gz SDKOROUFAXHIIP-OUCADQQQSA-N 0 1 236.334 3.403 20 0 BGADMN F[C@H]1CCC[C@H]1N[C@@H]1CCCOc2ccccc21 ZINC000550930049 325542902 /nfs/dbraw/zinc/54/29/02/325542902.db2.gz BTDDCOMFIYRMSH-BFHYXJOUSA-N 0 1 249.329 3.381 20 0 BGADMN F[C@H]1CCC[C@H]1N[C@H]1CCCOc2ccccc21 ZINC000550930051 325542962 /nfs/dbraw/zinc/54/29/62/325542962.db2.gz BTDDCOMFIYRMSH-MELADBBJSA-N 0 1 249.329 3.381 20 0 BGADMN COc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000550931881 384432645 /nfs/dbraw/zinc/43/26/45/384432645.db2.gz ACCHHOLQPRJDBQ-KGYLQXTDSA-N 0 1 237.318 3.236 20 0 BGADMN C[C@H](NCC(C)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000551242373 388624255 /nfs/dbraw/zinc/62/42/55/388624255.db2.gz UKDPZEIPOHLXEF-DRZSPHRISA-N 0 1 239.309 3.423 20 0 BGADMN C[C@@H](NCC(C)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000551242374 388625098 /nfs/dbraw/zinc/62/50/98/388625098.db2.gz UKDPZEIPOHLXEF-WXHSDQCUSA-N 0 1 239.309 3.423 20 0 BGADMN COc1ccccc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000551307112 388625388 /nfs/dbraw/zinc/62/53/88/388625388.db2.gz ACCHHOLQPRJDBQ-RTXFEEFZSA-N 0 1 237.318 3.236 20 0 BGADMN CCc1cccnc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000551308338 388625383 /nfs/dbraw/zinc/62/53/83/388625383.db2.gz KEMKTBIOSRMDRK-KGYLQXTDSA-N 0 1 236.334 3.185 20 0 BGADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cn1 ZINC000551309249 325553732 /nfs/dbraw/zinc/55/37/32/325553732.db2.gz ZYGZHUUPUPKVHI-KGYLQXTDSA-N 0 1 239.338 3.005 20 0 BGADMN CCC[C@@H](N[C@H]1CCC[C@H]1F)c1ccccn1 ZINC000551309332 325553909 /nfs/dbraw/zinc/55/39/09/325553909.db2.gz SDKOROUFAXHIIP-MBNYWOFBSA-N 0 1 236.334 3.403 20 0 BGADMN CCCCOc1ccc([C@@H](C)NCCF)cc1 ZINC000551516389 325559119 /nfs/dbraw/zinc/55/91/19/325559119.db2.gz ONHJAHSIVMUDMV-GFCCVEGCSA-N 0 1 239.334 3.486 20 0 BGADMN CCCCOc1ccc([C@H](C)NCCF)cc1 ZINC000551516390 388632404 /nfs/dbraw/zinc/63/24/04/388632404.db2.gz ONHJAHSIVMUDMV-LBPRGKRZSA-N 0 1 239.334 3.486 20 0 BGADMN CCC1CC(Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000551788854 325569543 /nfs/dbraw/zinc/56/95/43/325569543.db2.gz ICOTUPPJODGTJN-UHFFFAOYSA-N 0 1 243.354 3.482 20 0 BGADMN CC(C)C(CN(C)Cc1ccon1)C(C)C ZINC000551808028 388642482 /nfs/dbraw/zinc/64/24/82/388642482.db2.gz OPYOZPOUQFRGDH-UHFFFAOYSA-N 0 1 224.348 3.035 20 0 BGADMN FC(F)(F)CC1CCN(CC2(F)CC2)CC1 ZINC000551824966 388642015 /nfs/dbraw/zinc/64/20/15/388642015.db2.gz CDVHYECNNVSGLO-UHFFFAOYSA-N 0 1 239.256 3.153 20 0 BGADMN FC1(CN2CCC=C(c3ccccc3)C2)CC1 ZINC000551825895 388642381 /nfs/dbraw/zinc/64/23/81/388642381.db2.gz KCFJVIDMPYZCMS-UHFFFAOYSA-N 0 1 231.314 3.278 20 0 BGADMN CCN(Cc1conc1C)Cc1ccc(C)cc1 ZINC000551941130 388648526 /nfs/dbraw/zinc/64/85/26/388648526.db2.gz REYGTWHHPRQUDT-UHFFFAOYSA-N 0 1 244.338 3.314 20 0 BGADMN CC1(CNc2nccn2Cc2ccccc2)CC1 ZINC000552058239 388665682 /nfs/dbraw/zinc/66/56/82/388665682.db2.gz NVPJKUNNVKIFNS-UHFFFAOYSA-N 0 1 241.338 3.143 20 0 BGADMN C[C@@H]1CN(CCCC2CCCCC2)CCO1 ZINC000552120145 388670206 /nfs/dbraw/zinc/67/02/06/388670206.db2.gz VRRMKOJVTXHFSD-CYBMUJFWSA-N 0 1 225.376 3.068 20 0 BGADMN FC[C@@H]1CCCN1Cc1ccc2c(c1)CCCC2 ZINC000552129726 388671804 /nfs/dbraw/zinc/67/18/04/388671804.db2.gz HGYXMIPFRYRVSZ-INIZCTEOSA-N 0 1 247.357 3.499 20 0 BGADMN FC[C@H]1CCCN1Cc1ccc2c(c1)CCCC2 ZINC000552129727 388672342 /nfs/dbraw/zinc/67/23/42/388672342.db2.gz HGYXMIPFRYRVSZ-MRXNPFEDSA-N 0 1 247.357 3.499 20 0 BGADMN Fc1ccccc1[C@@H]1CCN(CC2(F)CC2)C1 ZINC000552345184 388694996 /nfs/dbraw/zinc/69/49/96/388694996.db2.gz QGMWBWBRPIRTCM-LLVKDONJSA-N 0 1 237.293 3.117 20 0 BGADMN Fc1ccccc1[C@H]1CCN(CC2(F)CC2)C1 ZINC000552345185 388695254 /nfs/dbraw/zinc/69/52/54/388695254.db2.gz QGMWBWBRPIRTCM-NSHDSACASA-N 0 1 237.293 3.117 20 0 BGADMN FC[C@H]1CCCN1C/C=C\c1ccc(F)cc1 ZINC000552392491 388702588 /nfs/dbraw/zinc/70/25/88/388702588.db2.gz SEUUFUUNJJNSFH-NPPUXFBVSA-N 0 1 237.293 3.273 20 0 BGADMN FC[C@@H]1CCCN1C/C=C\c1ccc(F)cc1 ZINC000552392492 388702150 /nfs/dbraw/zinc/70/21/50/388702150.db2.gz SEUUFUUNJJNSFH-VXYRWZGASA-N 0 1 237.293 3.273 20 0 BGADMN c1nc(N[C@@H]2CCC[C@H]3C[C@H]32)cc2c1CCC2 ZINC000552407858 325632164 /nfs/dbraw/zinc/63/21/64/325632164.db2.gz HMRFSJZCUYQVTJ-IACUBPJLSA-N 0 1 228.339 3.171 20 0 BGADMN c1nc(N[C@H]2CCC[C@H]3C[C@H]32)cc2c1CCC2 ZINC000552407859 325632166 /nfs/dbraw/zinc/63/21/66/325632166.db2.gz HMRFSJZCUYQVTJ-YUTCNCBUSA-N 0 1 228.339 3.171 20 0 BGADMN CC(C)[C@@H]1CC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000552407996 325632315 /nfs/dbraw/zinc/63/23/15/325632315.db2.gz PCVKNTFWYWZBAV-KBPBESRZSA-N 0 1 230.355 3.417 20 0 BGADMN CC(C)[C@H]1CC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000552407997 388704477 /nfs/dbraw/zinc/70/44/77/388704477.db2.gz PCVKNTFWYWZBAV-KGLIPLIRSA-N 0 1 230.355 3.417 20 0 BGADMN CC(C)[C@@H]1CC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000552407998 325632220 /nfs/dbraw/zinc/63/22/20/325632220.db2.gz PCVKNTFWYWZBAV-UONOGXRCSA-N 0 1 230.355 3.417 20 0 BGADMN CC(C)[C@H]1CC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000552407999 388704885 /nfs/dbraw/zinc/70/48/85/388704885.db2.gz PCVKNTFWYWZBAV-ZIAGYGMSSA-N 0 1 230.355 3.417 20 0 BGADMN Cc1cnc(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000552812119 388737496 /nfs/dbraw/zinc/73/74/96/388737496.db2.gz RMAYWLYUBCGDEK-JTQLQIEISA-N 0 1 226.389 3.318 20 0 BGADMN Cc1cnc(C[N@H+](C)[C@@H](C)C(C)(C)C)s1 ZINC000552812119 388737495 /nfs/dbraw/zinc/73/74/95/388737495.db2.gz RMAYWLYUBCGDEK-JTQLQIEISA-N 0 1 226.389 3.318 20 0 BGADMN Cc1cnc(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000552812120 388737376 /nfs/dbraw/zinc/73/73/76/388737376.db2.gz RMAYWLYUBCGDEK-SNVBAGLBSA-N 0 1 226.389 3.318 20 0 BGADMN Cc1cnc(C[N@H+](C)[C@H](C)C(C)(C)C)s1 ZINC000552812120 388737374 /nfs/dbraw/zinc/73/73/74/388737374.db2.gz RMAYWLYUBCGDEK-SNVBAGLBSA-N 0 1 226.389 3.318 20 0 BGADMN Cc1occc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000552880244 325668665 /nfs/dbraw/zinc/66/86/65/325668665.db2.gz XKHYUGFDOLRCRZ-LLVKDONJSA-N 0 1 247.342 3.216 20 0 BGADMN Cc1occc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000552880245 325668657 /nfs/dbraw/zinc/66/86/57/325668657.db2.gz XKHYUGFDOLRCRZ-NSHDSACASA-N 0 1 247.342 3.216 20 0 BGADMN CCCCCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553811514 388791217 /nfs/dbraw/zinc/79/12/17/388791217.db2.gz CWGFGSNXXBCNSX-UHFFFAOYSA-N 0 1 245.326 3.390 20 0 BGADMN CC1=CCCN(Cc2ccc(Cl)cc2)C1 ZINC000553896627 388792674 /nfs/dbraw/zinc/79/26/74/388792674.db2.gz WIPVJMPLKWOGAV-UHFFFAOYSA-N 0 1 221.731 3.492 20 0 BGADMN Cc1nc2cc(N[C@@H](C)C(C)C)ccc2n1C ZINC000554137797 388801202 /nfs/dbraw/zinc/80/12/02/388801202.db2.gz FETCQCPFJWSFNW-JTQLQIEISA-N 0 1 231.343 3.338 20 0 BGADMN Cc1nc2cc(N[C@H](C)C(C)C)ccc2n1C ZINC000554137806 388800658 /nfs/dbraw/zinc/80/06/58/388800658.db2.gz FETCQCPFJWSFNW-SNVBAGLBSA-N 0 1 231.343 3.338 20 0 BGADMN Clc1ccc(CN2CCCCCC2)nc1 ZINC000554316679 325712589 /nfs/dbraw/zinc/71/25/89/325712589.db2.gz USAKDTYXSXMDTE-UHFFFAOYSA-N 0 1 224.735 3.111 20 0 BGADMN C[C@@H]1CC[C@@H](C)N(Cc2ccc(Cl)cn2)C1 ZINC000554317618 388808323 /nfs/dbraw/zinc/80/83/23/388808323.db2.gz ATDKGIJUBXFJTO-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@H](C)N(Cc2ccc(Cl)cn2)C1 ZINC000554317619 388808335 /nfs/dbraw/zinc/80/83/35/388808335.db2.gz ATDKGIJUBXFJTO-MNOVXSKESA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CC[C@H](C)N(Cc2ccc(Cl)cn2)C1 ZINC000554317621 388808953 /nfs/dbraw/zinc/80/89/53/388808953.db2.gz ATDKGIJUBXFJTO-QWRGUYRKSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CC[C@H](C)CN1Cc1ccc(Cl)cn1 ZINC000554317625 388809178 /nfs/dbraw/zinc/80/91/78/388809178.db2.gz ATDKGIJUBXFJTO-WDEREUQCSA-N 0 1 238.762 3.355 20 0 BGADMN CC[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000554494744 388817698 /nfs/dbraw/zinc/81/76/98/388817698.db2.gz UCMMZCCEDJLNBD-LLVKDONJSA-N 0 1 238.762 3.357 20 0 BGADMN CC[C@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000554494745 388816219 /nfs/dbraw/zinc/81/62/19/388816219.db2.gz UCMMZCCEDJLNBD-NSHDSACASA-N 0 1 238.762 3.357 20 0 BGADMN C[C@@H]1CCCN(Cc2ccc(Cl)cn2)[C@@H]1C ZINC000554496225 388817049 /nfs/dbraw/zinc/81/70/49/388817049.db2.gz FZRSQIYYMQIKEE-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1CCCN(Cc2ccc(Cl)cn2)[C@H]1C ZINC000554496226 388816421 /nfs/dbraw/zinc/81/64/21/388816421.db2.gz FZRSQIYYMQIKEE-MNOVXSKESA-N 0 1 238.762 3.355 20 0 BGADMN C[C@H]1CCCN(Cc2ccc(Cl)cn2)[C@H]1C ZINC000554496227 388816243 /nfs/dbraw/zinc/81/62/43/388816243.db2.gz FZRSQIYYMQIKEE-QWRGUYRKSA-N 0 1 238.762 3.355 20 0 BGADMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)cn1 ZINC000554496228 388816176 /nfs/dbraw/zinc/81/61/76/388816176.db2.gz FZRSQIYYMQIKEE-WDEREUQCSA-N 0 1 238.762 3.355 20 0 BGADMN CCC1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000554496941 325722585 /nfs/dbraw/zinc/72/25/85/325722585.db2.gz DANZVDRDLMPUKR-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN CC1(C)CCN(Cc2ccc(Cl)cn2)CC1 ZINC000554497347 388817371 /nfs/dbraw/zinc/81/73/71/388817371.db2.gz RHCZMFJIQKPNSP-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN CC1(C)CCCN(Cc2ccc(Cl)cn2)C1 ZINC000554497461 388817406 /nfs/dbraw/zinc/81/74/06/388817406.db2.gz IBOWAZOYXDGNHU-UHFFFAOYSA-N 0 1 238.762 3.357 20 0 BGADMN C[N@@H+](CCC1CCCCC1)Cc1ncccc1[O-] ZINC000554855282 388834065 /nfs/dbraw/zinc/83/40/65/388834065.db2.gz OKBPPDGYSOYSLF-UHFFFAOYSA-N 0 1 248.370 3.189 20 0 BGADMN C[N@H+](CCC1CCCCC1)Cc1ncccc1[O-] ZINC000554855282 388834061 /nfs/dbraw/zinc/83/40/61/388834061.db2.gz OKBPPDGYSOYSLF-UHFFFAOYSA-N 0 1 248.370 3.189 20 0 BGADMN CC(C)CC1(C)CCN(Cc2cc[nH]n2)CC1 ZINC000554890708 397976279 /nfs/dbraw/zinc/97/62/79/397976279.db2.gz UQGFYDZZGNKJRO-UHFFFAOYSA-N 0 1 235.375 3.058 20 0 BGADMN CCc1n[nH]c(S[C@H]2C=CCCCCC2)n1 ZINC000555466803 388850889 /nfs/dbraw/zinc/85/08/89/388850889.db2.gz VFFLSDPQRWIDDX-JTQLQIEISA-N 0 1 237.372 3.348 20 0 BGADMN CCc1nc(S[C@H]2C=CCCCCC2)n[nH]1 ZINC000555466803 388850887 /nfs/dbraw/zinc/85/08/87/388850887.db2.gz VFFLSDPQRWIDDX-JTQLQIEISA-N 0 1 237.372 3.348 20 0 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CC(C)C[C@H]1CCCC[N@H+]1Cc1ncccc1[O-] ZINC000558399988 383980822 /nfs/dbraw/zinc/98/08/22/383980822.db2.gz BNWJPIDALRUQNP-CYBMUJFWSA-N 0 1 248.370 3.188 20 0 BGADMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ncccc1[O-] ZINC000558399992 383982729 /nfs/dbraw/zinc/98/27/29/383982729.db2.gz BNWJPIDALRUQNP-ZDUSSCGKSA-N 0 1 248.370 3.188 20 0 BGADMN C(CC1CCCCC1)CN1CCOCC12CC2 ZINC000558407546 383987808 /nfs/dbraw/zinc/98/78/08/383987808.db2.gz PYEGTHPTXPROMO-UHFFFAOYSA-N 0 1 237.387 3.212 20 0 BGADMN CC[C@@H]1CCCCN1Cc1ccc(Cl)cn1 ZINC000558408843 383991062 /nfs/dbraw/zinc/99/10/62/383991062.db2.gz VIHUHNCRVGGFLO-CYBMUJFWSA-N 0 1 238.762 3.500 20 0 BGADMN CC[C@H]1CCCCN1Cc1ccc(Cl)cn1 ZINC000558408844 383989511 /nfs/dbraw/zinc/98/95/11/383989511.db2.gz VIHUHNCRVGGFLO-ZDUSSCGKSA-N 0 1 238.762 3.500 20 0 BGADMN CCN(Cc1cc(C(C)(C)C)on1)CC(C)C ZINC000558457344 384018690 /nfs/dbraw/zinc/01/86/90/384018690.db2.gz KSICJUHQTOSCID-UHFFFAOYSA-N 0 1 238.375 3.450 20 0 BGADMN C[C@@H]1CN(Cc2cc(C(C)(C)C)on2)C[C@H]1C 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ZINC000558848808 410051238 /nfs/dbraw/zinc/05/12/38/410051238.db2.gz WKQMRNMTMYTYCT-SECBINFHSA-N 0 1 225.361 3.113 20 0 BGADMN C[C@@H](CSc1cn[nH]n1)C1CCCCC1 ZINC000558848809 410051919 /nfs/dbraw/zinc/05/19/19/410051919.db2.gz WKQMRNMTMYTYCT-VIFPVBQESA-N 0 1 225.361 3.113 20 0 BGADMN CC[C@@H](C)N1CC[C@](F)(c2ccccc2F)C1 ZINC000558863205 384343648 /nfs/dbraw/zinc/34/36/48/384343648.db2.gz MLCFXQFEWVTIGH-BXUZGUMPSA-N 0 1 239.309 3.495 20 0 BGADMN CC[C@H](C)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558863206 384343618 /nfs/dbraw/zinc/34/36/18/384343618.db2.gz MLCFXQFEWVTIGH-FZMZJTMJSA-N 0 1 239.309 3.495 20 0 BGADMN CC[C@@H](C)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558863207 384343681 /nfs/dbraw/zinc/34/36/81/384343681.db2.gz MLCFXQFEWVTIGH-RISCZKNCSA-N 0 1 239.309 3.495 20 0 BGADMN CC[C@H](C)N1CC[C@](F)(c2ccccc2F)C1 ZINC000558863208 384343753 /nfs/dbraw/zinc/34/37/53/384343753.db2.gz MLCFXQFEWVTIGH-SMDDNHRTSA-N 0 1 239.309 3.495 20 0 BGADMN CCCCOc1ccccc1CN1CC(C)C1 ZINC000559072688 398263847 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ZINC000571652507 351578656 /nfs/dbraw/zinc/57/86/56/351578656.db2.gz MIISLPZNMRVYJU-GFCCVEGCSA-N 0 1 248.395 3.390 20 0 BGADMN c1nc2c(s1)C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000571652507 351578653 /nfs/dbraw/zinc/57/86/53/351578653.db2.gz MIISLPZNMRVYJU-GFCCVEGCSA-N 0 1 248.395 3.390 20 0 BGADMN c1nc2c(s1)CN([C@H]1C=CCCCCC1)CC2 ZINC000571652513 351578113 /nfs/dbraw/zinc/57/81/13/351578113.db2.gz MIISLPZNMRVYJU-LBPRGKRZSA-N 0 1 248.395 3.390 20 0 BGADMN c1nc2c(s1)C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000571652513 351578107 /nfs/dbraw/zinc/57/81/07/351578107.db2.gz MIISLPZNMRVYJU-LBPRGKRZSA-N 0 1 248.395 3.390 20 0 BGADMN Cc1cc(OCCSC(C)C)cc(C)n1 ZINC000571658280 323152739 /nfs/dbraw/zinc/15/27/39/323152739.db2.gz SNRHYXSQNUCHAT-UHFFFAOYSA-N 0 1 225.357 3.219 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(Cl)cn2)[C@H](C)C1 ZINC000571757158 387162127 /nfs/dbraw/zinc/16/21/27/387162127.db2.gz YGKKSGPYGNFEAE-GHMZBOCLSA-N 0 1 238.762 3.355 20 0 BGADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CC)C1 ZINC000571767640 387164672 /nfs/dbraw/zinc/16/46/72/387164672.db2.gz CGLWODFDZQHRKI-GXTWGEPZSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CC)C1 ZINC000571767641 387165991 /nfs/dbraw/zinc/16/59/91/387165991.db2.gz CGLWODFDZQHRKI-JSGCOSHPSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CC)C1 ZINC000571767642 387165976 /nfs/dbraw/zinc/16/59/76/387165976.db2.gz CGLWODFDZQHRKI-OCCSQVGLSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CC)C1 ZINC000571767643 387165431 /nfs/dbraw/zinc/16/54/31/387165431.db2.gz CGLWODFDZQHRKI-TZMCWYRMSA-N 0 1 241.375 3.142 20 0 BGADMN FCC1(NCc2ccc(Cl)s2)CCC1 ZINC000571800038 387174204 /nfs/dbraw/zinc/17/42/04/387174204.db2.gz ODQMALFHCQLWCO-UHFFFAOYSA-N 0 1 233.739 3.383 20 0 BGADMN CCO[C@@H]1C[C@H]1N[C@@H](CC)c1ccccc1F ZINC000571806613 323483940 /nfs/dbraw/zinc/48/39/40/323483940.db2.gz QTNJKXWLLJHVPP-BFHYXJOUSA-N 0 1 237.318 3.044 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@H](CC)c1ccccc1F ZINC000571806614 323484050 /nfs/dbraw/zinc/48/40/50/323484050.db2.gz QTNJKXWLLJHVPP-HZSPNIEDSA-N 0 1 237.318 3.044 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@@H](CC)c1ccccc1F ZINC000571806615 387173189 /nfs/dbraw/zinc/17/31/89/387173189.db2.gz QTNJKXWLLJHVPP-MELADBBJSA-N 0 1 237.318 3.044 20 0 BGADMN CCO[C@@H]1C[C@H]1N[C@H](CC)c1ccccc1F ZINC000571806616 387173442 /nfs/dbraw/zinc/17/34/42/387173442.db2.gz QTNJKXWLLJHVPP-MGPQQGTHSA-N 0 1 237.318 3.044 20 0 BGADMN FC[C@H]1CCCN1Cc1ccnc2ccccc12 ZINC000571828137 387179359 /nfs/dbraw/zinc/17/93/59/387179359.db2.gz IFXZGSHBNIFAQE-CYBMUJFWSA-N 0 1 244.313 3.169 20 0 BGADMN FC[C@@H]1CCCN1Cc1ccnc2ccccc12 ZINC000571828139 387179200 /nfs/dbraw/zinc/17/92/00/387179200.db2.gz IFXZGSHBNIFAQE-ZDUSSCGKSA-N 0 1 244.313 3.169 20 0 BGADMN C[C@@H](NC1CCC2(CCCO2)CC1)C(C)(F)F ZINC000571867314 323490196 /nfs/dbraw/zinc/49/01/96/323490196.db2.gz NWTYCLBGYSYKLK-XSRFYTQQSA-N 0 1 247.329 3.112 20 0 BGADMN C[C@H](NC1CCC2(CCCO2)CC1)C(C)(F)F ZINC000571867315 411217852 /nfs/dbraw/zinc/21/78/52/411217852.db2.gz NWTYCLBGYSYKLK-ZBOXLXRLSA-N 0 1 247.329 3.112 20 0 BGADMN CC1(CSCCc2c[nH]nn2)CCCCC1 ZINC000571897403 387196094 /nfs/dbraw/zinc/19/60/94/387196094.db2.gz SCENWEIFIYZBIJ-UHFFFAOYSA-N 0 1 239.388 3.051 20 0 BGADMN FCC1(NCc2scnc2C2CC2)CCC1 ZINC000572036380 387223927 /nfs/dbraw/zinc/22/39/27/387223927.db2.gz PCKBEXWXZVZCFF-UHFFFAOYSA-N 0 1 240.347 3.002 20 0 BGADMN FCC1(NCc2cccc(Cl)c2)CCC1 ZINC000572120019 387239424 /nfs/dbraw/zinc/23/94/24/387239424.db2.gz FFURHJCTCBARKX-UHFFFAOYSA-N 0 1 227.710 3.322 20 0 BGADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C ZINC000572250418 387279097 /nfs/dbraw/zinc/27/90/97/387279097.db2.gz SSMLEPBPVOKMCC-GFCCVEGCSA-N 0 1 243.391 3.244 20 0 BGADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C ZINC000572250419 387278224 /nfs/dbraw/zinc/27/82/24/387278224.db2.gz SSMLEPBPVOKMCC-LBPRGKRZSA-N 0 1 243.391 3.244 20 0 BGADMN C[C@H](CCC1CCCCC1)NCc1ncccn1 ZINC000572258027 387289343 /nfs/dbraw/zinc/28/93/43/387289343.db2.gz HKOBHGVERMXICJ-CYBMUJFWSA-N 0 1 247.386 3.315 20 0 BGADMN C[C@@H](CCC1CCCCC1)NCc1ncccn1 ZINC000572258028 387289695 /nfs/dbraw/zinc/28/96/95/387289695.db2.gz HKOBHGVERMXICJ-ZDUSSCGKSA-N 0 1 247.386 3.315 20 0 BGADMN c1cc(CSc2n[nH]c(C3CC3)n2)cs1 ZINC000572304392 387311798 /nfs/dbraw/zinc/31/17/98/387311798.db2.gz OJROBAJOBGJIRR-UHFFFAOYSA-N 0 1 237.353 3.036 20 0 BGADMN c1cc(CSc2nc(C3CC3)n[nH]2)cs1 ZINC000572304392 387311794 /nfs/dbraw/zinc/31/17/94/387311794.db2.gz OJROBAJOBGJIRR-UHFFFAOYSA-N 0 1 237.353 3.036 20 0 BGADMN CN(Cc1cnc(C2CC2)s1)[C@@H]1CC1(C)C ZINC000572313490 387317268 /nfs/dbraw/zinc/31/72/68/387317268.db2.gz QAVWSTBKHFFJTF-LLVKDONJSA-N 0 1 236.384 3.251 20 0 BGADMN CN(Cc1cnc(C2CC2)s1)[C@H]1CC1(C)C ZINC000572313491 387316813 /nfs/dbraw/zinc/31/68/13/387316813.db2.gz QAVWSTBKHFFJTF-NSHDSACASA-N 0 1 236.384 3.251 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cc2ccccc2o1 ZINC000572329986 323598043 /nfs/dbraw/zinc/59/80/43/323598043.db2.gz NENDITIFXDINKB-IFUGULHKSA-N 0 1 245.322 3.261 20 0 BGADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cc2ccccc2o1 ZINC000572329987 398133746 /nfs/dbraw/zinc/13/37/46/398133746.db2.gz NENDITIFXDINKB-ITDIGPHOSA-N 0 1 245.322 3.261 20 0 BGADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1cc2ccccc2o1 ZINC000572329988 398133813 /nfs/dbraw/zinc/13/38/13/398133813.db2.gz NENDITIFXDINKB-IXPVHAAZSA-N 0 1 245.322 3.261 20 0 BGADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc2ccccc2o1 ZINC000572329989 323598413 /nfs/dbraw/zinc/59/84/13/323598413.db2.gz NENDITIFXDINKB-JVLSTEMRSA-N 0 1 245.322 3.261 20 0 BGADMN Cc1cc(CNC2(CF)CCC2)ccc1F ZINC000572363217 323609412 /nfs/dbraw/zinc/60/94/12/323609412.db2.gz OPILGMXELYOUQH-UHFFFAOYSA-N 0 1 225.282 3.116 20 0 BGADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000572415045 411230465 /nfs/dbraw/zinc/23/04/65/411230465.db2.gz SSNIRWKZEGGRPK-LLVKDONJSA-N 0 1 247.338 3.005 20 0 BGADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000572415046 411230383 /nfs/dbraw/zinc/23/03/83/411230383.db2.gz SSNIRWKZEGGRPK-NSHDSACASA-N 0 1 247.338 3.005 20 0 BGADMN CCC[C@H](NCC(C)(F)F)C1CCC1 ZINC000572574952 326011208 /nfs/dbraw/zinc/01/12/08/326011208.db2.gz SKAREMGACXORTA-JTQLQIEISA-N 0 1 205.292 3.200 20 0 BGADMN CCC[C@@H](NCC(C)(F)F)C1CCC1 ZINC000572574953 326011312 /nfs/dbraw/zinc/01/13/12/326011312.db2.gz SKAREMGACXORTA-SNVBAGLBSA-N 0 1 205.292 3.200 20 0 BGADMN C[N@@H+](Cc1ccc2c(n1)CCC2)C1CC(C)(C)C1 ZINC000572580069 326109516 /nfs/dbraw/zinc/10/95/16/326109516.db2.gz NFCWVMCHCBQIJU-UHFFFAOYSA-N 0 1 244.382 3.191 20 0 BGADMN F[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000572652278 388363360 /nfs/dbraw/zinc/36/33/60/388363360.db2.gz QTCPSGPHFXWXRD-CYBMUJFWSA-N 0 1 244.313 3.169 20 0 BGADMN F[C@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000572652279 388363307 /nfs/dbraw/zinc/36/33/07/388363307.db2.gz QTCPSGPHFXWXRD-ZDUSSCGKSA-N 0 1 244.313 3.169 20 0 BGADMN CCc1cnc(CN(CC2CC2)C2CCC2)o1 ZINC000572668339 388365066 /nfs/dbraw/zinc/36/50/66/388365066.db2.gz YMULLJSSUUDTLV-UHFFFAOYSA-N 0 1 234.343 3.002 20 0 BGADMN c1cc(N[C@@H]2CCCC23CCC3)cc2n[nH]nc12 ZINC000572710510 323010339 /nfs/dbraw/zinc/01/03/39/323010339.db2.gz XCEHXNBFYKEQCZ-CYBMUJFWSA-N 0 1 242.326 3.093 20 0 BGADMN c1cc(N[C@@H]2CCCC23CCC3)cc2[nH]nnc12 ZINC000572710510 323010338 /nfs/dbraw/zinc/01/03/38/323010338.db2.gz XCEHXNBFYKEQCZ-CYBMUJFWSA-N 0 1 242.326 3.093 20 0 BGADMN c1cc(N[C@H]2CCCC23CCC3)cc2n[nH]nc12 ZINC000572710511 323010372 /nfs/dbraw/zinc/01/03/72/323010372.db2.gz XCEHXNBFYKEQCZ-ZDUSSCGKSA-N 0 1 242.326 3.093 20 0 BGADMN c1cc(N[C@H]2CCCC23CCC3)cc2[nH]nnc12 ZINC000572710511 323010371 /nfs/dbraw/zinc/01/03/71/323010371.db2.gz XCEHXNBFYKEQCZ-ZDUSSCGKSA-N 0 1 242.326 3.093 20 0 BGADMN CC/C=C\CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000572729241 388370674 /nfs/dbraw/zinc/37/06/74/388370674.db2.gz VBRHGKRTLSIPBQ-PLNGDYQASA-N 0 1 247.338 3.173 20 0 BGADMN CC/C=C/CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000572729242 388370700 /nfs/dbraw/zinc/37/07/00/388370700.db2.gz VBRHGKRTLSIPBQ-SNAWJCMRSA-N 0 1 247.338 3.173 20 0 BGADMN CC[C@@H](c1ccncc1)N(C)Cc1cccn1C ZINC000572802985 388377967 /nfs/dbraw/zinc/37/79/67/388377967.db2.gz YNGLUZTUFNUWAU-HNNXBMFYSA-N 0 1 243.354 3.003 20 0 BGADMN CC[C@H](c1ccncc1)N(C)Cc1cccn1C ZINC000572802986 388377414 /nfs/dbraw/zinc/37/74/14/388377414.db2.gz YNGLUZTUFNUWAU-OAHLLOKOSA-N 0 1 243.354 3.003 20 0 BGADMN CCC[C@@H](NCc1nnc(C2CC2)o1)C1CCC1 ZINC000572818468 388379048 /nfs/dbraw/zinc/37/90/48/388379048.db2.gz MRXWXSHFDXYENH-GFCCVEGCSA-N 0 1 249.358 3.005 20 0 BGADMN CCC[C@H](NCc1nnc(C2CC2)o1)C1CCC1 ZINC000572818469 326412558 /nfs/dbraw/zinc/41/25/58/326412558.db2.gz MRXWXSHFDXYENH-LBPRGKRZSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@@H]1C[C@H](C)[N@@H+]1CCc1cccc(Cl)c1 ZINC000572842377 388380639 /nfs/dbraw/zinc/38/06/39/388380639.db2.gz RPABNQRBMRPOSD-PHIMTYICSA-N 0 1 223.747 3.365 20 0 BGADMN CC(C)C[C@@H](N)c1noc([C@@H]2C[C@H]2C2CCC2)n1 ZINC000572885856 388384147 /nfs/dbraw/zinc/38/41/47/388384147.db2.gz PKAROOPHKSTHLK-QJPTWQEYSA-N 0 1 249.358 3.019 20 0 BGADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@H]2C2CCC2)n1 ZINC000572885857 326416998 /nfs/dbraw/zinc/41/69/98/326416998.db2.gz PKAROOPHKSTHLK-TUAOUCFPSA-N 0 1 249.358 3.019 20 0 BGADMN C[C@@H]1CCCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000572889543 388384122 /nfs/dbraw/zinc/38/41/22/388384122.db2.gz RISMMYIMKGGRFU-GFCCVEGCSA-N 0 1 247.338 3.007 20 0 BGADMN C[C@H]1CCCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000572889544 388383855 /nfs/dbraw/zinc/38/38/55/388383855.db2.gz RISMMYIMKGGRFU-LBPRGKRZSA-N 0 1 247.338 3.007 20 0 BGADMN CC(C)C1CCC(CN(C)Cc2cc[nH]n2)CC1 ZINC000573018510 388408139 /nfs/dbraw/zinc/40/81/39/388408139.db2.gz RLDRGCQQCZYGTE-UHFFFAOYSA-N 0 1 249.402 3.304 20 0 BGADMN FC(F)(F)C1CN([C@@H]2C=CCCCCC2)C1 ZINC000573071712 383948564 /nfs/dbraw/zinc/94/85/64/383948564.db2.gz NTXHAKVBNJBNJV-LLVKDONJSA-N 0 1 233.277 3.369 20 0 BGADMN FC(F)(F)C1CN([C@H]2C=CCCCCC2)C1 ZINC000573071719 383950229 /nfs/dbraw/zinc/95/02/29/383950229.db2.gz NTXHAKVBNJBNJV-NSHDSACASA-N 0 1 233.277 3.369 20 0 BGADMN CCOc1cccc(CNC2(CF)CCC2)c1 ZINC000573089180 398208547 /nfs/dbraw/zinc/20/85/47/398208547.db2.gz ALZDYYATBLCFBZ-UHFFFAOYSA-N 0 1 237.318 3.067 20 0 BGADMN Cc1sccc1CNC1(CF)CCC1 ZINC000573206190 326435239 /nfs/dbraw/zinc/43/52/39/326435239.db2.gz YXTIGDXKKWEQKG-UHFFFAOYSA-N 0 1 213.321 3.038 20 0 BGADMN CCCN(Cc1nccn1C(C)C)C(C)C ZINC000573217502 388432813 /nfs/dbraw/zinc/43/28/13/388432813.db2.gz HWAPVASJHHWMIV-UHFFFAOYSA-N 0 1 223.364 3.084 20 0 BGADMN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1C=CCCC1 ZINC000573314185 364795640 /nfs/dbraw/zinc/79/56/40/364795640.db2.gz KSDDPBDUIJPPFS-CYBMUJFWSA-N 0 1 247.386 3.248 20 0 BGADMN C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1C=CCCC1 ZINC000573314185 364795633 /nfs/dbraw/zinc/79/56/33/364795633.db2.gz KSDDPBDUIJPPFS-CYBMUJFWSA-N 0 1 247.386 3.248 20 0 BGADMN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@H]1C=CCCC1 ZINC000573314186 364795611 /nfs/dbraw/zinc/79/56/11/364795611.db2.gz KSDDPBDUIJPPFS-ZDUSSCGKSA-N 0 1 247.386 3.248 20 0 BGADMN C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1C=CCCC1 ZINC000573314186 364795605 /nfs/dbraw/zinc/79/56/05/364795605.db2.gz KSDDPBDUIJPPFS-ZDUSSCGKSA-N 0 1 247.386 3.248 20 0 BGADMN CN(CCC1CCCCCC1)Cc1cc[nH]n1 ZINC000573366900 364811841 /nfs/dbraw/zinc/81/18/41/364811841.db2.gz ZJEKBHYGSQSHGI-UHFFFAOYSA-N 0 1 235.375 3.202 20 0 BGADMN F[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000573450845 364836356 /nfs/dbraw/zinc/83/63/56/364836356.db2.gz IDMZMCOKULBGHQ-AWEZNQCLSA-N 0 1 244.313 3.169 20 0 BGADMN F[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000573450846 364836633 /nfs/dbraw/zinc/83/66/33/364836633.db2.gz IDMZMCOKULBGHQ-CQSZACIVSA-N 0 1 244.313 3.169 20 0 BGADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000573526213 364853776 /nfs/dbraw/zinc/85/37/76/364853776.db2.gz YTXNBNVEYYATJA-GXTWGEPZSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000573526214 364853728 /nfs/dbraw/zinc/85/37/28/364853728.db2.gz YTXNBNVEYYATJA-JSGCOSHPSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000573526215 364853689 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0 1 249.402 3.305 20 0 BGADMN CCCC[C@@H](CC)CCN1CCn2cncc2C1 ZINC000582936660 357440242 /nfs/dbraw/zinc/44/02/42/357440242.db2.gz QVQKVTNCLJHMSY-CQSZACIVSA-N 0 1 249.402 3.305 20 0 BGADMN CCc1cnc(CN(CC)C2CC(C)(C)C2)o1 ZINC000583010715 357460740 /nfs/dbraw/zinc/46/07/40/357460740.db2.gz BSDYOWHBMCVGRF-UHFFFAOYSA-N 0 1 236.359 3.248 20 0 BGADMN c1cnc(CNC2CCC3(CCCC3)CC2)nc1 ZINC000583036140 357465647 /nfs/dbraw/zinc/46/56/47/357465647.db2.gz ZNRLHSFONPWFRZ-UHFFFAOYSA-N 0 1 245.370 3.069 20 0 BGADMN CC1(CN2CC(c3ccccc3F)C2)CC1 ZINC000583117660 357476129 /nfs/dbraw/zinc/47/61/29/357476129.db2.gz IVHWUCWTHSADSK-UHFFFAOYSA-N 0 1 219.303 3.025 20 0 BGADMN Cc1ccc(CN2CC(C)C2)c(Cl)c1 ZINC000583146544 357494706 /nfs/dbraw/zinc/49/47/06/357494706.db2.gz BITJBQJPQXCAOF-UHFFFAOYSA-N 0 1 209.720 3.100 20 0 BGADMN CCc1cccc(CNCc2ccoc2)c1 ZINC000583147719 357494950 /nfs/dbraw/zinc/49/49/50/357494950.db2.gz QYRXRBYZXAMQQD-UHFFFAOYSA-N 0 1 215.296 3.132 20 0 BGADMN Fc1cccnc1CNC1CC2(C1)CCCCC2 ZINC000583256689 357731041 /nfs/dbraw/zinc/73/10/41/357731041.db2.gz AHIIORKTHNHCMK-UHFFFAOYSA-N 0 1 248.345 3.423 20 0 BGADMN C[C@@H](Cc1ccsc1)N1CCC[C@@H](F)C1 ZINC000583269174 357777584 /nfs/dbraw/zinc/77/75/84/357777584.db2.gz YPVMECVBGSXTKJ-CMPLNLGQSA-N 0 1 227.348 3.113 20 0 BGADMN C[C@@H](Cc1ccsc1)N1CCC[C@H](F)C1 ZINC000583269175 357777967 /nfs/dbraw/zinc/77/79/67/357777967.db2.gz YPVMECVBGSXTKJ-JQWIXIFHSA-N 0 1 227.348 3.113 20 0 BGADMN C[C@H](Cc1ccsc1)N1CCC[C@H](F)C1 ZINC000583269176 357777439 /nfs/dbraw/zinc/77/74/39/357777439.db2.gz YPVMECVBGSXTKJ-PWSUYJOCSA-N 0 1 227.348 3.113 20 0 BGADMN C[C@H](Cc1ccsc1)N1CCC[C@@H](F)C1 ZINC000583269177 357778101 /nfs/dbraw/zinc/77/81/01/357778101.db2.gz YPVMECVBGSXTKJ-ZYHUDNBSSA-N 0 1 227.348 3.113 20 0 BGADMN CCc1cccc(F)c1CN[C@H]1C[C@@H]1C(F)F ZINC000583285730 357836585 /nfs/dbraw/zinc/83/65/85/357836585.db2.gz LOIQTRWEKIXTEO-CABZTGNLSA-N 0 1 243.272 3.131 20 0 BGADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000583303372 357889035 /nfs/dbraw/zinc/88/90/35/357889035.db2.gz OXJCTPUGKCQAIH-HNNXBMFYSA-N 0 1 248.370 3.188 20 0 BGADMN CC(C)C[C@]1(C)CCC[N@@H+]1Cc1ncccc1[O-] ZINC000583303372 357889033 /nfs/dbraw/zinc/88/90/33/357889033.db2.gz OXJCTPUGKCQAIH-HNNXBMFYSA-N 0 1 248.370 3.188 20 0 BGADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000583303373 357888674 /nfs/dbraw/zinc/88/86/74/357888674.db2.gz OXJCTPUGKCQAIH-OAHLLOKOSA-N 0 1 248.370 3.188 20 0 BGADMN CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1ncccc1[O-] ZINC000583303373 357888670 /nfs/dbraw/zinc/88/86/70/357888670.db2.gz OXJCTPUGKCQAIH-OAHLLOKOSA-N 0 1 248.370 3.188 20 0 BGADMN CC(C)(C)c1cnc(CN[C@H]2CCC2(C)C)o1 ZINC000583329944 342717957 /nfs/dbraw/zinc/71/79/57/342717957.db2.gz HGZFVJPQHMUPAO-JTQLQIEISA-N 0 1 236.359 3.250 20 0 BGADMN CC(C)(C)c1cnc(CN[C@@H]2CCC2(C)C)o1 ZINC000583329945 342717985 /nfs/dbraw/zinc/71/79/85/342717985.db2.gz HGZFVJPQHMUPAO-SNVBAGLBSA-N 0 1 236.359 3.250 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(Cl)cn2)C[C@H]1C ZINC000583432582 344948882 /nfs/dbraw/zinc/94/88/82/344948882.db2.gz BFELVAZWJZFNMS-GHMZBOCLSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000583432583 344949079 /nfs/dbraw/zinc/94/90/79/344949079.db2.gz BFELVAZWJZFNMS-MNOVXSKESA-N 0 1 238.762 3.213 20 0 BGADMN C[C@H]1CN(Cc2ccc(Cl)cn2)CC[C@@H]1C ZINC000583432584 344948968 /nfs/dbraw/zinc/94/89/68/344948968.db2.gz BFELVAZWJZFNMS-QWRGUYRKSA-N 0 1 238.762 3.213 20 0 BGADMN C[C@H]1CCN(Cc2ccc(Cl)cn2)C[C@H]1C ZINC000583432585 344948866 /nfs/dbraw/zinc/94/88/66/344948866.db2.gz BFELVAZWJZFNMS-WDEREUQCSA-N 0 1 238.762 3.213 20 0 BGADMN CC1=CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000583478488 349301401 /nfs/dbraw/zinc/30/14/01/349301401.db2.gz JWPKOKUFKHQBGL-UHFFFAOYSA-N 0 1 234.368 3.173 20 0 BGADMN CC(C)C[N@@H+](Cc1ncccc1[O-])C1CCCC1 ZINC000583719350 357909024 /nfs/dbraw/zinc/90/90/24/357909024.db2.gz HZSFDGSEMHYPTO-UHFFFAOYSA-N 0 1 248.370 3.188 20 0 BGADMN CCc1ccc(CN2CCC[C@H](F)C2)s1 ZINC000583817374 357961408 /nfs/dbraw/zinc/96/14/08/357961408.db2.gz JQCZEIYGDOKTCQ-JTQLQIEISA-N 0 1 227.348 3.244 20 0 BGADMN CCc1ccc(CN2CCC[C@@H](F)C2)s1 ZINC000583817375 357960878 /nfs/dbraw/zinc/96/08/78/357960878.db2.gz JQCZEIYGDOKTCQ-SNVBAGLBSA-N 0 1 227.348 3.244 20 0 BGADMN CCc1n[nH]c(SC[C@H]2CCCC[C@H]2C)n1 ZINC000583823666 357958873 /nfs/dbraw/zinc/95/88/73/357958873.db2.gz DHBMRSZGSFCFHE-NXEZZACHSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1nnc(SC[C@H]2CCCC[C@H]2C)[nH]1 ZINC000583823666 357958871 /nfs/dbraw/zinc/95/88/71/357958871.db2.gz DHBMRSZGSFCFHE-NXEZZACHSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1n[nH]c(SC[C@@H]2CCCC[C@@H]2C)n1 ZINC000583823667 357958633 /nfs/dbraw/zinc/95/86/33/357958633.db2.gz DHBMRSZGSFCFHE-UWVGGRQHSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1nnc(SC[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000583823667 357958629 /nfs/dbraw/zinc/95/86/29/357958629.db2.gz DHBMRSZGSFCFHE-UWVGGRQHSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1n[nH]c(SC[C@H]2CCCC[C@@H]2C)n1 ZINC000583823668 357958764 /nfs/dbraw/zinc/95/87/64/357958764.db2.gz DHBMRSZGSFCFHE-VHSXEESVSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1nnc(SC[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000583823668 357958760 /nfs/dbraw/zinc/95/87/60/357958760.db2.gz DHBMRSZGSFCFHE-VHSXEESVSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1n[nH]c(SC[C@@H]2CCCC[C@H]2C)n1 ZINC000583823669 357959143 /nfs/dbraw/zinc/95/91/43/357959143.db2.gz DHBMRSZGSFCFHE-ZJUUUORDSA-N 0 1 239.388 3.286 20 0 BGADMN CCc1nnc(SC[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000583823669 357959141 /nfs/dbraw/zinc/95/91/41/357959141.db2.gz DHBMRSZGSFCFHE-ZJUUUORDSA-N 0 1 239.388 3.286 20 0 BGADMN Cc1nc2c(n1CCOC1CCCC1)CCCC2 ZINC000583823748 357959097 /nfs/dbraw/zinc/95/90/97/357959097.db2.gz GVFDTSQDSQGCNU-UHFFFAOYSA-N 0 1 248.370 3.030 20 0 BGADMN CN(Cc1cc(C(C)(C)C)on1)C1CCCC1 ZINC000583900766 358227203 /nfs/dbraw/zinc/22/72/03/358227203.db2.gz TXMDCHSYYRONHA-UHFFFAOYSA-N 0 1 236.359 3.347 20 0 BGADMN CN(Cc1nc(C2CC2)cs1)C(C)(C)C ZINC000583992684 342852027 /nfs/dbraw/zinc/85/20/27/342852027.db2.gz YYEATPSPWWBKDB-UHFFFAOYSA-N 0 1 224.373 3.251 20 0 BGADMN F[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000583999558 342866138 /nfs/dbraw/zinc/86/61/38/342866138.db2.gz OTVGYLBWRWDMHF-HNNXBMFYSA-N 0 1 233.330 3.498 20 0 BGADMN F[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000583999559 342866089 /nfs/dbraw/zinc/86/60/89/342866089.db2.gz OTVGYLBWRWDMHF-OAHLLOKOSA-N 0 1 233.330 3.498 20 0 BGADMN CCCN(CC=C(C)C)[C@H](CC)C(=O)OCC ZINC000584374569 357466569 /nfs/dbraw/zinc/46/65/69/357466569.db2.gz LJVKRZPBQFYEIK-CYBMUJFWSA-N 0 1 241.375 3.006 20 0 BGADMN CCCN(CC=C(C)C)[C@@H](CC)C(=O)OCC ZINC000584374570 357466646 /nfs/dbraw/zinc/46/66/46/357466646.db2.gz LJVKRZPBQFYEIK-ZDUSSCGKSA-N 0 1 241.375 3.006 20 0 BGADMN C[N@@H+](Cc1ncccc1[O-])C1CCC(C)(C)CC1 ZINC000584437038 357921101 /nfs/dbraw/zinc/92/11/01/357921101.db2.gz OIWLTLKHPWVBGK-UHFFFAOYSA-N 0 1 248.370 3.188 20 0 BGADMN C[N@H+](Cc1ncccc1[O-])C1CCC(C)(C)CC1 ZINC000584437038 357921096 /nfs/dbraw/zinc/92/10/96/357921096.db2.gz OIWLTLKHPWVBGK-UHFFFAOYSA-N 0 1 248.370 3.188 20 0 BGADMN CCCN(CC)Cc1cc(C(C)(C)C)on1 ZINC000584558433 358056501 /nfs/dbraw/zinc/05/65/01/358056501.db2.gz PRZBDASKWCDCAP-UHFFFAOYSA-N 0 1 224.348 3.204 20 0 BGADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000584760816 358170388 /nfs/dbraw/zinc/17/03/88/358170388.db2.gz JDCMCNYGSUZALI-GFCCVEGCSA-N 0 1 248.370 3.045 20 0 BGADMN CC(C)(C)C[C@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000584760816 358170384 /nfs/dbraw/zinc/17/03/84/358170384.db2.gz JDCMCNYGSUZALI-GFCCVEGCSA-N 0 1 248.370 3.045 20 0 BGADMN CC(C)(C)C[C@H]1CC[N@@H+](Cc2ncccc2O)C1 ZINC000584760816 358170380 /nfs/dbraw/zinc/17/03/80/358170380.db2.gz JDCMCNYGSUZALI-GFCCVEGCSA-N 0 1 248.370 3.045 20 0 BGADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000584760819 358170081 /nfs/dbraw/zinc/17/00/81/358170081.db2.gz JDCMCNYGSUZALI-LBPRGKRZSA-N 0 1 248.370 3.045 20 0 BGADMN CC(C)(C)C[C@@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000584760819 358170079 /nfs/dbraw/zinc/17/00/79/358170079.db2.gz JDCMCNYGSUZALI-LBPRGKRZSA-N 0 1 248.370 3.045 20 0 BGADMN CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ncccc2O)C1 ZINC000584760819 358170075 /nfs/dbraw/zinc/17/00/75/358170075.db2.gz JDCMCNYGSUZALI-LBPRGKRZSA-N 0 1 248.370 3.045 20 0 BGADMN Cc1nsc(C)c1C[N@H+]1CCCC12CCC2 ZINC000584788741 358179389 /nfs/dbraw/zinc/17/93/89/358179389.db2.gz PTJJXVTZFYAHRO-UHFFFAOYSA-N 0 1 236.384 3.278 20 0 BGADMN CCN(Cc1cc(C(C)(C)C)on1)CC1CC1 ZINC000584869149 358207553 /nfs/dbraw/zinc/20/75/53/358207553.db2.gz ZGCMNNDHFRIXAI-UHFFFAOYSA-N 0 1 236.359 3.204 20 0 BGADMN Cc1occc1CNCc1ccc(F)cc1C ZINC000585814869 345991095 /nfs/dbraw/zinc/99/10/95/345991095.db2.gz XWHOSKDQOKNRCI-UHFFFAOYSA-N 0 1 233.286 3.325 20 0 BGADMN CCCCOCCN(CC)CCC(F)(F)F ZINC000586768366 384916058 /nfs/dbraw/zinc/91/60/58/384916058.db2.gz WABPWSJNWYICDG-UHFFFAOYSA-N 0 1 241.297 3.077 20 0 BGADMN CCN(Cc1ccoc1)Cc1ccc(OC)cc1 ZINC000588169175 346645050 /nfs/dbraw/zinc/64/50/50/346645050.db2.gz BIKFBQYNAOGVQF-UHFFFAOYSA-N 0 1 245.322 3.310 20 0 BGADMN CCN(Cc1ccoc1)Cc1ccccc1 ZINC000588169578 346644972 /nfs/dbraw/zinc/64/49/72/346644972.db2.gz SXRLQAADDISKKQ-UHFFFAOYSA-N 0 1 215.296 3.302 20 0 BGADMN Cc1cccn2cc(CN3CCCCCC3)nc12 ZINC000588770518 344187232 /nfs/dbraw/zinc/18/72/32/344187232.db2.gz NDRWELLUHLMRLY-UHFFFAOYSA-N 0 1 243.354 3.019 20 0 BGADMN CN(Cc1ccno1)[C@H]1CCCc2ccccc21 ZINC000588780069 344188107 /nfs/dbraw/zinc/18/81/07/344188107.db2.gz VWNQRDOCWLVALB-HNNXBMFYSA-N 0 1 242.322 3.184 20 0 BGADMN C[N@@H+](Cc1ccno1)[C@H]1CCCc2ccccc21 ZINC000588780069 344188105 /nfs/dbraw/zinc/18/81/05/344188105.db2.gz VWNQRDOCWLVALB-HNNXBMFYSA-N 0 1 242.322 3.184 20 0 BGADMN CN(Cc1ccno1)[C@@H]1CCCc2ccccc21 ZINC000588780070 344188125 /nfs/dbraw/zinc/18/81/25/344188125.db2.gz VWNQRDOCWLVALB-OAHLLOKOSA-N 0 1 242.322 3.184 20 0 BGADMN C[N@@H+](Cc1ccno1)[C@@H]1CCCc2ccccc21 ZINC000588780070 344188124 /nfs/dbraw/zinc/18/81/24/344188124.db2.gz VWNQRDOCWLVALB-OAHLLOKOSA-N 0 1 242.322 3.184 20 0 BGADMN CC(C)(C)CCNc1cnn(-c2ccncc2)c1 ZINC000589260285 346681168 /nfs/dbraw/zinc/68/11/68/346681168.db2.gz 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BGADMN C[C@H](N[C@H]1CCCC1(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000623525269 362944294 /nfs/dbraw/zinc/94/42/94/362944294.db2.gz DHOCSVMGSNQEDB-VGDYDELISA-N 0 1 229.314 3.198 20 0 BGADMN C[C@@H](CF)NCc1ccsc1C(F)(F)F ZINC000623526280 362945893 /nfs/dbraw/zinc/94/58/93/362945893.db2.gz UQSOLUYECBYHSY-LURJTMIESA-N 0 1 241.253 3.215 20 0 BGADMN C[C@H](CF)NCc1ccsc1C(F)(F)F ZINC000623526281 362945860 /nfs/dbraw/zinc/94/58/60/362945860.db2.gz UQSOLUYECBYHSY-ZCFIWIBFSA-N 0 1 241.253 3.215 20 0 BGADMN Fc1ccc(F)c(CN[C@H]2CC23CC3)c1Cl ZINC000623554832 362974561 /nfs/dbraw/zinc/97/45/61/362974561.db2.gz PRAHKRKWUNKQOE-JTQLQIEISA-N 0 1 243.684 3.260 20 0 BGADMN Fc1ccc(F)c(CN[C@@H]2CC23CC3)c1Cl ZINC000623554833 362974539 /nfs/dbraw/zinc/97/45/39/362974539.db2.gz PRAHKRKWUNKQOE-SNVBAGLBSA-N 0 1 243.684 3.260 20 0 BGADMN CCc1ccc(C)nc1NCc1ccnc(C)c1 ZINC000623563919 362989191 /nfs/dbraw/zinc/98/91/91/362989191.db2.gz NQFJVUSQGGOGHY-UHFFFAOYSA-N 0 1 241.338 3.268 20 0 BGADMN CC(C)n1ccnc1CN[C@@H]1CC12CCCCC2 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CCC(F)(F)CN[C@H](C)CCC1CC1 ZINC000624148382 371344142 /nfs/dbraw/zinc/34/41/42/371344142.db2.gz CKDGLPBLCZZYFC-SECBINFHSA-N 0 1 205.292 3.200 20 0 BGADMN CCC(F)(F)CN[C@@H](C)CCC1CC1 ZINC000624148383 371344398 /nfs/dbraw/zinc/34/43/98/371344398.db2.gz CKDGLPBLCZZYFC-VIFPVBQESA-N 0 1 205.292 3.200 20 0 BGADMN CCC(F)(F)CN[C@@H]1CCC[C@H]2C[C@]21C ZINC000624148488 371344334 /nfs/dbraw/zinc/34/43/34/371344334.db2.gz GCDQRLFTPWCTTM-HBNTYKKESA-N 0 1 217.303 3.200 20 0 BGADMN CCC(F)(F)CN[C@@H]1CCC[C@@H]2C[C@@]21C ZINC000624148489 371344097 /nfs/dbraw/zinc/34/40/97/371344097.db2.gz GCDQRLFTPWCTTM-MXWKQRLJSA-N 0 1 217.303 3.200 20 0 BGADMN CCC(F)(F)CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000624148521 371340629 /nfs/dbraw/zinc/34/06/29/371340629.db2.gz GZIHZIONOLQINC-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN CCC(F)(F)CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000624148522 371341321 /nfs/dbraw/zinc/34/13/21/371341321.db2.gz GZIHZIONOLQINC-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN CCC(F)(F)CN[C@@H]1CC[C@@H]1C(C)(C)C 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UCJYNMKKMNYOJU-SECBINFHSA-N 0 1 237.359 3.153 20 0 BGADMN CCC(F)(F)CN[C@@H](C)C1CCSCC1 ZINC000624149006 371345420 /nfs/dbraw/zinc/34/54/20/371345420.db2.gz UCJYNMKKMNYOJU-VIFPVBQESA-N 0 1 237.359 3.153 20 0 BGADMN CCC(C)(C)[C@@H](C)NCC(F)(F)CC ZINC000624149175 371345379 /nfs/dbraw/zinc/34/53/79/371345379.db2.gz YIEWUHDYEKFNHT-SECBINFHSA-N 0 1 207.308 3.446 20 0 BGADMN CCC(C)(C)[C@H](C)NCC(F)(F)CC ZINC000624149176 371346175 /nfs/dbraw/zinc/34/61/75/371346175.db2.gz YIEWUHDYEKFNHT-VIFPVBQESA-N 0 1 207.308 3.446 20 0 BGADMN CC[C@H](NCC(F)(F)CC)[C@@H]1C[C@@H]1C ZINC000624149213 371347490 /nfs/dbraw/zinc/34/74/90/371347490.db2.gz ZVGAZFIQCPKLRA-AEJSXWLSSA-N 0 1 205.292 3.056 20 0 BGADMN CC[C@H](NCC(F)(F)CC)[C@@H]1C[C@H]1C ZINC000624149214 371347412 /nfs/dbraw/zinc/34/74/12/371347412.db2.gz ZVGAZFIQCPKLRA-BBBLOLIVSA-N 0 1 205.292 3.056 20 0 BGADMN CC[C@H](NCC(F)(F)CC)[C@H]1C[C@@H]1C ZINC000624149215 371347569 /nfs/dbraw/zinc/34/75/69/371347569.db2.gz ZVGAZFIQCPKLRA-GUBZILKMSA-N 0 1 205.292 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CACDWVHOIQWJOO-UHFFFAOYSA-N 0 1 246.285 3.094 20 0 BGADMN Cc1ccc(F)c(CN(C2CC2)C2CC2)c1 ZINC000625840787 344091425 /nfs/dbraw/zinc/09/14/25/344091425.db2.gz ANYCHBJSVZPZCJ-UHFFFAOYSA-N 0 1 219.303 3.261 20 0 BGADMN CC(=O)c1cccc(CN(C2CC2)C2CC2)c1 ZINC000625841442 344095288 /nfs/dbraw/zinc/09/52/88/344095288.db2.gz LSGPUBLGNJMGFJ-UHFFFAOYSA-N 0 1 229.323 3.016 20 0 BGADMN CCCc1nc(C)c(CN(C2CC2)C2CC2)o1 ZINC000625841853 344093068 /nfs/dbraw/zinc/09/30/68/344093068.db2.gz RVSIVPCGIZLSJD-UHFFFAOYSA-N 0 1 234.343 3.062 20 0 BGADMN C[C@@H]1CC(F)(F)CCN1CCC(F)(F)F ZINC000625979948 344648369 /nfs/dbraw/zinc/64/83/69/344648369.db2.gz NTCPAILREFBSKZ-SSDOTTSWSA-N 0 1 231.208 3.058 20 0 BGADMN C[C@H]1CC(F)(F)CCN1CCC(F)(F)F ZINC000625979949 344648097 /nfs/dbraw/zinc/64/80/97/344648097.db2.gz NTCPAILREFBSKZ-ZETCQYMHSA-N 0 1 231.208 3.058 20 0 BGADMN Cc1ccc(CN2CCC(F)(F)C[C@H]2C)nc1 ZINC000625980167 344646488 /nfs/dbraw/zinc/64/64/88/344646488.db2.gz GYLMPWWNLAVDQX-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ccc(CN2CCC(F)(F)C[C@@H]2C)nc1 ZINC000625980168 344646246 /nfs/dbraw/zinc/64/62/46/344646246.db2.gz GYLMPWWNLAVDQX-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ncccc1CN1CCC(F)(F)C[C@@H]1C ZINC000625980890 344647762 /nfs/dbraw/zinc/64/77/62/344647762.db2.gz WMNVIFHEEJVKCX-JTQLQIEISA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ncccc1CN1CCC(F)(F)C[C@H]1C ZINC000625980891 344647726 /nfs/dbraw/zinc/64/77/26/344647726.db2.gz WMNVIFHEEJVKCX-SNVBAGLBSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1cc(CN2CCC(F)(F)C[C@H]2C)ccn1 ZINC000625981162 344648267 /nfs/dbraw/zinc/64/82/67/344648267.db2.gz IETWSOKWRBROSV-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1cc(CN2CCC(F)(F)C[C@@H]2C)ccn1 ZINC000625981163 344648217 /nfs/dbraw/zinc/64/82/17/344648217.db2.gz IETWSOKWRBROSV-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN Cc1cnccc1CN1CCC(F)(F)C[C@H]1C ZINC000625981557 344648238 /nfs/dbraw/zinc/64/82/38/344648238.db2.gz XMCHSPUJVGUMAO-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1cnccc1CN1CCC(F)(F)C[C@@H]1C ZINC000625981558 344647929 /nfs/dbraw/zinc/64/79/29/344647929.db2.gz XMCHSPUJVGUMAO-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ccc(CN2CCC(F)(F)C[C@H]2C)cn1 ZINC000625981563 344645624 /nfs/dbraw/zinc/64/56/24/344645624.db2.gz XPJFHICUNGZMGX-LLVKDONJSA-N 0 1 240.297 3.010 20 0 BGADMN Cc1ccc(CN2CCC(F)(F)C[C@@H]2C)cn1 ZINC000625981564 344645592 /nfs/dbraw/zinc/64/55/92/344645592.db2.gz XPJFHICUNGZMGX-NSHDSACASA-N 0 1 240.297 3.010 20 0 BGADMN FCC[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000626003700 344663687 /nfs/dbraw/zinc/66/36/87/344663687.db2.gz OQVJSTJTCCPWMA-AWEZNQCLSA-N 0 1 243.366 3.017 20 0 BGADMN FCC[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000626003701 344663745 /nfs/dbraw/zinc/66/37/45/344663745.db2.gz OQVJSTJTCCPWMA-CQSZACIVSA-N 0 1 243.366 3.017 20 0 BGADMN COc1cccc2c1CN(CCC(C)C)C2 ZINC000626020921 344676739 /nfs/dbraw/zinc/67/67/39/344676739.db2.gz HDWGEDNWZIMAHU-UHFFFAOYSA-N 0 1 219.328 3.057 20 0 BGADMN CCCCCN1Cc2cccc(OC)c2C1 ZINC000626021478 344677391 /nfs/dbraw/zinc/67/73/91/344677391.db2.gz CCBJVKDHGSIDSX-UHFFFAOYSA-N 0 1 219.328 3.201 20 0 BGADMN CC/C=C\CCN1Cc2cccc(OC)c2C1 ZINC000626022862 344678572 /nfs/dbraw/zinc/67/85/72/344678572.db2.gz MUOJFJGFIUBQDW-PLNGDYQASA-N 0 1 231.339 3.367 20 0 BGADMN CC/C=C/CCN1Cc2cccc(OC)c2C1 ZINC000626022863 344678253 /nfs/dbraw/zinc/67/82/53/344678253.db2.gz MUOJFJGFIUBQDW-SNAWJCMRSA-N 0 1 231.339 3.367 20 0 BGADMN COc1cccc2c1CN(CCCCCF)C2 ZINC000626022919 344678408 /nfs/dbraw/zinc/67/84/08/344678408.db2.gz OSCNKBDJIUNATA-UHFFFAOYSA-N 0 1 237.318 3.151 20 0 BGADMN COc1cccc2c1CN(CCCC(C)C)C2 ZINC000626022938 344678201 /nfs/dbraw/zinc/67/82/01/344678201.db2.gz PGIMOOUORJDMOM-UHFFFAOYSA-N 0 1 233.355 3.447 20 0 BGADMN COc1cccc2c1CN(CC1(C)CCC1)C2 ZINC000626023079 344678522 /nfs/dbraw/zinc/67/85/22/344678522.db2.gz VKEXDAFTGFYJFL-UHFFFAOYSA-N 0 1 231.339 3.201 20 0 BGADMN COc1cccc2c1CN(CCC1CCC1)C2 ZINC000626023369 344678355 /nfs/dbraw/zinc/67/83/55/344678355.db2.gz FUMJHHGJUIXKOZ-UHFFFAOYSA-N 0 1 231.339 3.201 20 0 BGADMN COc1cccc2c1CN(CCC=C(C)C)C2 ZINC000626023434 344678287 /nfs/dbraw/zinc/67/82/87/344678287.db2.gz HHQCYZHNIAVGKM-UHFFFAOYSA-N 0 1 231.339 3.367 20 0 BGADMN Oc1cccc2c1CCN(Cc1cccs1)C2 ZINC000626027867 344679799 /nfs/dbraw/zinc/67/97/99/344679799.db2.gz NANFNNHSQKYRES-UHFFFAOYSA-N 0 1 245.347 3.012 20 0 BGADMN C[C@]12CCCC[C@H]1CN2Cc1cc(C2CC2)no1 ZINC000626103174 344740339 /nfs/dbraw/zinc/74/03/39/344740339.db2.gz OJFLKWFLHBAYMU-WFASDCNBSA-N 0 1 246.354 3.317 20 0 BGADMN Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c(C)n1 ZINC000626103629 344743494 /nfs/dbraw/zinc/74/34/94/344743494.db2.gz ISXVFFJWKZNTCD-HOTGVXAUSA-N 0 1 244.382 3.463 20 0 BGADMN Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)cn1 ZINC000626103646 344743712 /nfs/dbraw/zinc/74/37/12/344743712.db2.gz JPNROFSXQLVCEM-GJZGRUSLSA-N 0 1 230.355 3.155 20 0 BGADMN Cc1cncc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1 ZINC000626103683 344743558 /nfs/dbraw/zinc/74/35/58/344743558.db2.gz LMIRIHVCGZQBRP-GJZGRUSLSA-N 0 1 230.355 3.155 20 0 BGADMN CCc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)nc1 ZINC000626103692 344743660 /nfs/dbraw/zinc/74/36/60/344743660.db2.gz LWQONCCZMOLAFM-HOCLYGCPSA-N 0 1 244.382 3.409 20 0 BGADMN Cc1noc(C)c1CC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103701 344743567 /nfs/dbraw/zinc/74/35/67/344743567.db2.gz MGXAZSYNKWRKDX-ZFWWWQNUSA-N 0 1 248.370 3.098 20 0 BGADMN Cc1nc(CN2C[C@@H]3CCCC[C@@]32C)cs1 ZINC000626103722 344743515 /nfs/dbraw/zinc/74/35/15/344743515.db2.gz NBHQVIAJVLSEHH-AAEUAGOBSA-N 0 1 236.384 3.216 20 0 BGADMN Cc1nc(CN2C[C@@H]3CCCC[C@@]32C)c(C)o1 ZINC000626103852 344744718 /nfs/dbraw/zinc/74/47/18/344744718.db2.gz SWKNJERKOOTZGI-JSGCOSHPSA-N 0 1 234.343 3.056 20 0 BGADMN Cc1csc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626103939 344748004 /nfs/dbraw/zinc/74/80/04/344748004.db2.gz XODGHGUMVOQARF-AAEUAGOBSA-N 0 1 236.384 3.216 20 0 BGADMN Cc1nc(CN2C[C@@H]3CCCC[C@@]32C)oc1C ZINC000626104831 344967798 /nfs/dbraw/zinc/96/77/98/344967798.db2.gz FZCZTXDLQGAGSW-JSGCOSHPSA-N 0 1 234.343 3.056 20 0 BGADMN CC(C)n1ccc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626104859 344968146 /nfs/dbraw/zinc/96/81/46/344968146.db2.gz HGRSDLPLULFLKG-ZFWWWQNUSA-N 0 1 247.386 3.229 20 0 BGADMN Cc1nc(CN2CCCC3(CC3)CC2)cs1 ZINC000626113490 345302423 /nfs/dbraw/zinc/30/24/23/345302423.db2.gz VHPHMKBQWZFENS-UHFFFAOYSA-N 0 1 236.384 3.218 20 0 BGADMN CCc1cnc(CN2CCCC3(CC3)CC2)o1 ZINC000626113767 345306918 /nfs/dbraw/zinc/30/69/18/345306918.db2.gz FSGQWFIJWNWMBD-UHFFFAOYSA-N 0 1 234.343 3.003 20 0 BGADMN CC(C)n1ccnc1CN1CCCC2(CC2)CC1 ZINC000626114227 345309316 /nfs/dbraw/zinc/30/93/16/345309316.db2.gz XXQZJFYQYPWXIR-UHFFFAOYSA-N 0 1 247.386 3.230 20 0 BGADMN c1nc(CN2CCCC3(CC3)CC2)oc1C1CC1 ZINC000626114784 345317180 /nfs/dbraw/zinc/31/71/80/345317180.db2.gz SUPQTJBBWRSQIV-UHFFFAOYSA-N 0 1 246.354 3.318 20 0 BGADMN Cc1ccc(C[N@H+]2CCCC3(CC3)CC2)c(C)n1 ZINC000626114989 345325892 /nfs/dbraw/zinc/32/58/92/345325892.db2.gz BVMLSTXHVUNGGI-UHFFFAOYSA-N 0 1 244.382 3.465 20 0 BGADMN Cc1ccc(C[N@H+]2CCCC3(CC3)CC2)cn1 ZINC000626115085 345326392 /nfs/dbraw/zinc/32/63/92/345326392.db2.gz FRQXQRMSJXTEFA-UHFFFAOYSA-N 0 1 230.355 3.156 20 0 BGADMN CCC[C@@H](C)N1CCOc2cc(F)ccc2C1 ZINC000626153795 345844732 /nfs/dbraw/zinc/84/47/32/345844732.db2.gz VITSXMBSVWTSCL-LLVKDONJSA-N 0 1 237.318 3.209 20 0 BGADMN CCC[C@@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626153795 345844730 /nfs/dbraw/zinc/84/47/30/345844730.db2.gz VITSXMBSVWTSCL-LLVKDONJSA-N 0 1 237.318 3.209 20 0 BGADMN CCC[C@H](C)N1CCOc2cc(F)ccc2C1 ZINC000626153796 345844786 /nfs/dbraw/zinc/84/47/86/345844786.db2.gz VITSXMBSVWTSCL-NSHDSACASA-N 0 1 237.318 3.209 20 0 BGADMN CCC[C@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626153796 345844785 /nfs/dbraw/zinc/84/47/85/345844785.db2.gz VITSXMBSVWTSCL-NSHDSACASA-N 0 1 237.318 3.209 20 0 BGADMN C/C=C\C[C@H]1CCCN(Cc2cscn2)C1 ZINC000626160323 346247907 /nfs/dbraw/zinc/24/79/07/346247907.db2.gz FXXOODKXJNESIA-DLGQBQFBSA-N 0 1 236.384 3.321 20 0 BGADMN C/C=C/C[C@H]1CCCN(Cc2cscn2)C1 ZINC000626160324 346247918 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BGADMN COc1ccc([C@H](C)NCC(C)(C)F)c(F)c1 ZINC000631657271 372483494 /nfs/dbraw/zinc/48/34/94/372483494.db2.gz APPSIRIDEPGQFA-VIFPVBQESA-N 0 1 243.297 3.233 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1ccc(F)cc1F ZINC000631657359 372483068 /nfs/dbraw/zinc/48/30/68/372483068.db2.gz CIZDEJHFTLJUTE-MRVPVSSYSA-N 0 1 231.261 3.364 20 0 BGADMN C[C@H](NCC(C)(C)F)c1ccc(F)cc1F ZINC000631657360 372482794 /nfs/dbraw/zinc/48/27/94/372482794.db2.gz CIZDEJHFTLJUTE-QMMMGPOBSA-N 0 1 231.261 3.364 20 0 BGADMN CC(C)(F)CN[C@@H]1CCCOc2ccccc21 ZINC000631657473 372482811 /nfs/dbraw/zinc/48/28/11/372482811.db2.gz DDCQSHJUSMRZBY-GFCCVEGCSA-N 0 1 237.318 3.238 20 0 BGADMN CC(C)(F)CN[C@H]1CCCOc2ccccc21 ZINC000631657474 372483044 /nfs/dbraw/zinc/48/30/44/372483044.db2.gz DDCQSHJUSMRZBY-LBPRGKRZSA-N 0 1 237.318 3.238 20 0 BGADMN CC(C)(F)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000631657576 372483842 /nfs/dbraw/zinc/48/38/42/372483842.db2.gz FHUZRQOHUCIBKH-LLVKDONJSA-N 0 1 243.272 3.290 20 0 BGADMN CC(C)(F)CN[C@H]1CCc2c1c(F)ccc2F ZINC000631657577 372483803 /nfs/dbraw/zinc/48/38/03/372483803.db2.gz FHUZRQOHUCIBKH-NSHDSACASA-N 0 1 243.272 3.290 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1cccc(F)c1F ZINC000631658274 357149629 /nfs/dbraw/zinc/14/96/29/357149629.db2.gz KEANYHAIYCTOJV-MRVPVSSYSA-N 0 1 231.261 3.364 20 0 BGADMN C[C@H](NCC(C)(C)F)c1cccc(F)c1F ZINC000631658275 357149710 /nfs/dbraw/zinc/14/97/10/357149710.db2.gz KEANYHAIYCTOJV-QMMMGPOBSA-N 0 1 231.261 3.364 20 0 BGADMN CC[C@H](NCC(C)(C)F)c1ccc(F)cn1 ZINC000631658409 372484884 /nfs/dbraw/zinc/48/48/84/372484884.db2.gz KNUUUESECCIFKY-JTQLQIEISA-N 0 1 228.286 3.010 20 0 BGADMN CC[C@@H](NCC(C)(C)F)c1ccc(F)cn1 ZINC000631658412 372485346 /nfs/dbraw/zinc/48/53/46/372485346.db2.gz KNUUUESECCIFKY-SNVBAGLBSA-N 0 1 228.286 3.010 20 0 BGADMN Cc1cc([C@@H](C)NCC(C)(C)F)c(C)o1 ZINC000631658554 372485501 /nfs/dbraw/zinc/48/55/01/372485501.db2.gz LRNOZZICGKFNSH-SECBINFHSA-N 0 1 213.296 3.295 20 0 BGADMN Cc1cc([C@H](C)NCC(C)(C)F)c(C)o1 ZINC000631658561 372484565 /nfs/dbraw/zinc/48/45/65/372484565.db2.gz LRNOZZICGKFNSH-VIFPVBQESA-N 0 1 213.296 3.295 20 0 BGADMN COc1ccc(C)cc1[C@@H](C)NCC(C)(C)F ZINC000631659064 357185465 /nfs/dbraw/zinc/18/54/65/357185465.db2.gz PACITLQOCITQCF-LLVKDONJSA-N 0 1 239.334 3.402 20 0 BGADMN COc1ccc(C)cc1[C@H](C)NCC(C)(C)F ZINC000631659074 357185452 /nfs/dbraw/zinc/18/54/52/357185452.db2.gz PACITLQOCITQCF-NSHDSACASA-N 0 1 239.334 3.402 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000631659149 372484551 /nfs/dbraw/zinc/48/45/51/372484551.db2.gz PQCLJACJIPCUPT-MRVPVSSYSA-N 0 1 231.261 3.364 20 0 BGADMN C[C@H](NCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000631659150 372484802 /nfs/dbraw/zinc/48/48/02/372484802.db2.gz PQCLJACJIPCUPT-QMMMGPOBSA-N 0 1 231.261 3.364 20 0 BGADMN CCOc1ccccc1[C@@H](C)NCC(C)(C)F ZINC000631659153 372485527 /nfs/dbraw/zinc/48/55/27/372485527.db2.gz PTXCUTDQZBNOBF-LLVKDONJSA-N 0 1 239.334 3.484 20 0 BGADMN CCOc1ccccc1[C@H](C)NCC(C)(C)F ZINC000631659154 372485436 /nfs/dbraw/zinc/48/54/36/372485436.db2.gz PTXCUTDQZBNOBF-NSHDSACASA-N 0 1 239.334 3.484 20 0 BGADMN CC(C)[C@@H](NCC(C)(C)F)c1ccc(F)cn1 ZINC000631659162 372485083 /nfs/dbraw/zinc/48/50/83/372485083.db2.gz PYALXWVBJBFYJG-GFCCVEGCSA-N 0 1 242.313 3.256 20 0 BGADMN CC(C)[C@H](NCC(C)(C)F)c1ccc(F)cn1 ZINC000631659163 372484866 /nfs/dbraw/zinc/48/48/66/372484866.db2.gz PYALXWVBJBFYJG-LBPRGKRZSA-N 0 1 242.313 3.256 20 0 BGADMN COc1ccccc1[C@H](C)NCC(C)(C)F ZINC000631659518 372485644 /nfs/dbraw/zinc/48/56/44/372485644.db2.gz RODGZWHPORAGGA-JTQLQIEISA-N 0 1 225.307 3.094 20 0 BGADMN COc1ccccc1[C@@H](C)NCC(C)(C)F ZINC000631659519 372484842 /nfs/dbraw/zinc/48/48/42/372484842.db2.gz RODGZWHPORAGGA-SNVBAGLBSA-N 0 1 225.307 3.094 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1ccc(Cl)cn1 ZINC000631659908 372485576 /nfs/dbraw/zinc/48/55/76/372485576.db2.gz BZHUISMOGMGGEO-MRVPVSSYSA-N 0 1 230.714 3.134 20 0 BGADMN C[C@H](NCC(C)(C)F)c1ccc(Cl)cn1 ZINC000631659914 372484738 /nfs/dbraw/zinc/48/47/38/372484738.db2.gz BZHUISMOGMGGEO-QMMMGPOBSA-N 0 1 230.714 3.134 20 0 BGADMN CC(C)(F)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000631660058 357191658 /nfs/dbraw/zinc/19/16/58/357191658.db2.gz UFZPZEXZIOKOMM-GFCCVEGCSA-N 0 1 243.272 3.290 20 0 BGADMN CC(C)(F)CN[C@H]1CCc2c1cc(F)cc2F ZINC000631660060 357191611 /nfs/dbraw/zinc/19/16/11/357191611.db2.gz UFZPZEXZIOKOMM-LBPRGKRZSA-N 0 1 243.272 3.290 20 0 BGADMN CCc1cccnc1[C@H](C)NCC(C)(C)F ZINC000631660268 357193515 /nfs/dbraw/zinc/19/35/15/357193515.db2.gz VDCZVFWPXFPKAI-JTQLQIEISA-N 0 1 224.323 3.043 20 0 BGADMN CCc1cccnc1[C@@H](C)NCC(C)(C)F ZINC000631660270 357193498 /nfs/dbraw/zinc/19/34/98/357193498.db2.gz VDCZVFWPXFPKAI-SNVBAGLBSA-N 0 1 224.323 3.043 20 0 BGADMN COc1cc(C)ccc1[C@@H](C)NCC(C)(C)F ZINC000631660273 357194250 /nfs/dbraw/zinc/19/42/50/357194250.db2.gz VFEDEZUNQMWCEF-LLVKDONJSA-N 0 1 239.334 3.402 20 0 BGADMN COc1cc(C)ccc1[C@H](C)NCC(C)(C)F ZINC000631660276 357194336 /nfs/dbraw/zinc/19/43/36/357194336.db2.gz VFEDEZUNQMWCEF-NSHDSACASA-N 0 1 239.334 3.402 20 0 BGADMN CC(C)(F)CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000631660313 372486423 /nfs/dbraw/zinc/48/64/23/372486423.db2.gz FBOZARAGIPYVEA-GFCCVEGCSA-N 0 1 240.297 3.010 20 0 BGADMN CC(C)(F)CN[C@H](c1cncc(F)c1)C1CC1 ZINC000631660314 357193878 /nfs/dbraw/zinc/19/38/78/357193878.db2.gz FBOZARAGIPYVEA-LBPRGKRZSA-N 0 1 240.297 3.010 20 0 BGADMN CCc1ccc([C@@H](C)NCC(C)(C)F)o1 ZINC000631660680 372486595 /nfs/dbraw/zinc/48/65/95/372486595.db2.gz XGCZIKZMGSUORB-SECBINFHSA-N 0 1 213.296 3.241 20 0 BGADMN CCc1ccc([C@H](C)NCC(C)(C)F)o1 ZINC000631660699 372487138 /nfs/dbraw/zinc/48/71/38/372487138.db2.gz XGCZIKZMGSUORB-VIFPVBQESA-N 0 1 213.296 3.241 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1ccc(F)c(F)c1 ZINC000631660734 372487166 /nfs/dbraw/zinc/48/71/66/372487166.db2.gz XYUMQTIWSBAPFS-MRVPVSSYSA-N 0 1 231.261 3.364 20 0 BGADMN C[C@H](NCC(C)(C)F)c1ccc(F)c(F)c1 ZINC000631660735 372487012 /nfs/dbraw/zinc/48/70/12/372487012.db2.gz XYUMQTIWSBAPFS-QMMMGPOBSA-N 0 1 231.261 3.364 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1ccc(C(F)F)nc1 ZINC000631662041 372488230 /nfs/dbraw/zinc/48/82/30/372488230.db2.gz KBUSQCDRVFTFHY-MRVPVSSYSA-N 0 1 246.276 3.418 20 0 BGADMN C[C@H](NCC(C)(C)F)c1ccc(C(F)F)nc1 ZINC000631662042 372487735 /nfs/dbraw/zinc/48/77/35/372487735.db2.gz KBUSQCDRVFTFHY-QMMMGPOBSA-N 0 1 246.276 3.418 20 0 BGADMN Cc1c([C@H](C)NCC(C)(C)F)cnn1C(C)C ZINC000631664449 372489486 /nfs/dbraw/zinc/48/94/86/372489486.db2.gz SRKDNAVAWYYLPB-JTQLQIEISA-N 0 1 241.354 3.171 20 0 BGADMN Cc1c([C@@H](C)NCC(C)(C)F)cnn1C(C)C ZINC000631664450 372489482 /nfs/dbraw/zinc/48/94/82/372489482.db2.gz SRKDNAVAWYYLPB-SNVBAGLBSA-N 0 1 241.354 3.171 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1cc2cnccc2o1 ZINC000631665055 372491337 /nfs/dbraw/zinc/49/13/37/372491337.db2.gz VKUIOVLKEZECLW-SECBINFHSA-N 0 1 236.290 3.227 20 0 BGADMN C[C@H](NCC(C)(C)F)c1cc2cnccc2o1 ZINC000631665056 372491316 /nfs/dbraw/zinc/49/13/16/372491316.db2.gz VKUIOVLKEZECLW-VIFPVBQESA-N 0 1 236.290 3.227 20 0 BGADMN Cc1cc([C@@H](C)NCC(C)(C)F)oc1C ZINC000631665488 357252935 /nfs/dbraw/zinc/25/29/35/357252935.db2.gz WYIUPJAYUJKHHX-SECBINFHSA-N 0 1 213.296 3.295 20 0 BGADMN Cc1cc([C@H](C)NCC(C)(C)F)oc1C ZINC000631665492 357253321 /nfs/dbraw/zinc/25/33/21/357253321.db2.gz WYIUPJAYUJKHHX-VIFPVBQESA-N 0 1 213.296 3.295 20 0 BGADMN COc1ccsc1[C@@H](C)NCC(C)(C)F ZINC000631665622 357256335 /nfs/dbraw/zinc/25/63/35/357256335.db2.gz XTCHYQDPYYGIHP-MRVPVSSYSA-N 0 1 231.336 3.155 20 0 BGADMN COc1ccsc1[C@H](C)NCC(C)(C)F ZINC000631665624 357255919 /nfs/dbraw/zinc/25/59/19/357255919.db2.gz XTCHYQDPYYGIHP-QMMMGPOBSA-N 0 1 231.336 3.155 20 0 BGADMN Cc1ccc(CN[C@H](c2cccnc2)C(C)C)o1 ZINC000631727885 372525054 /nfs/dbraw/zinc/52/50/54/372525054.db2.gz HPAFOOFDTAFABK-HNNXBMFYSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1ccc(CN[C@@H](c2cccnc2)C(C)C)o1 ZINC000631727886 372525568 /nfs/dbraw/zinc/52/55/68/372525568.db2.gz HPAFOOFDTAFABK-OAHLLOKOSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccc(C)nc2C)o1 ZINC000631728538 372525766 /nfs/dbraw/zinc/52/57/66/372525766.db2.gz SCKWSAVKHWFENF-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccc(C)nc2C)o1 ZINC000631728539 372525303 /nfs/dbraw/zinc/52/53/03/372525303.db2.gz SCKWSAVKHWFENF-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1ccc(CN[C@H]2CCCc3ncccc32)o1 ZINC000631730363 364487015 /nfs/dbraw/zinc/48/70/15/364487015.db2.gz RWHGMWMSYMQIKN-HNNXBMFYSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1ccc(CN[C@@H]2CCCc3ncccc32)o1 ZINC000631730364 364487391 /nfs/dbraw/zinc/48/73/91/364487391.db2.gz RWHGMWMSYMQIKN-OAHLLOKOSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)oc1C ZINC000631753457 364662626 /nfs/dbraw/zinc/66/26/26/364662626.db2.gz MJBDBJGQLJFVQT-FXBDTBDDSA-N 0 1 247.260 3.498 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)oc1C ZINC000631753458 364662647 /nfs/dbraw/zinc/66/26/47/364662647.db2.gz MJBDBJGQLJFVQT-SZEHBUNVSA-N 0 1 247.260 3.498 20 0 BGADMN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CCCc2occc21 ZINC000631753472 372555037 /nfs/dbraw/zinc/55/50/37/372555037.db2.gz MNXGFFYMNFEASR-KXUCPTDWSA-N 0 1 245.244 3.197 20 0 BGADMN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CCCc2occc21 ZINC000631753473 372555520 /nfs/dbraw/zinc/55/55/20/372555520.db2.gz MNXGFFYMNFEASR-OPRDCNLKSA-N 0 1 245.244 3.197 20 0 BGADMN CCc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000631754196 372555375 /nfs/dbraw/zinc/55/53/75/372555375.db2.gz AMUKQUFKXKCBKT-FXBDTBDDSA-N 0 1 247.260 3.443 20 0 BGADMN CCc1ccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000631754197 372555658 /nfs/dbraw/zinc/55/56/58/372555658.db2.gz AMUKQUFKXKCBKT-SZEHBUNVSA-N 0 1 247.260 3.443 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)c(C)o1 ZINC000631755110 372559072 /nfs/dbraw/zinc/55/90/72/372559072.db2.gz YKZAKQVETCNZMS-AVPPRXQKSA-N 0 1 247.260 3.498 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)c(C)o1 ZINC000631755111 372558326 /nfs/dbraw/zinc/55/83/26/372558326.db2.gz YKZAKQVETCNZMS-WHGOUJPWSA-N 0 1 247.260 3.498 20 0 BGADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000631755453 372559228 /nfs/dbraw/zinc/55/92/28/372559228.db2.gz BVVHTIGLRXFLGZ-FTLITQJKSA-N 0 1 235.274 3.350 20 0 BGADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000631755454 372558919 /nfs/dbraw/zinc/55/89/19/372558919.db2.gz BVVHTIGLRXFLGZ-NBEYISGCSA-N 0 1 235.274 3.350 20 0 BGADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC000631756730 364675247 /nfs/dbraw/zinc/67/52/47/364675247.db2.gz PGRPLVSBTAAGDQ-AVPPRXQKSA-N 0 1 247.235 3.427 20 0 BGADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC000631756731 364675129 /nfs/dbraw/zinc/67/51/29/364675129.db2.gz PGRPLVSBTAAGDQ-WHGOUJPWSA-N 0 1 247.235 3.427 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000631757198 372561637 /nfs/dbraw/zinc/56/16/37/372561637.db2.gz WJSOLEVVUOZASY-DJLDLDEBSA-N 0 1 233.233 3.189 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000631757206 372561454 /nfs/dbraw/zinc/56/14/54/372561454.db2.gz WJSOLEVVUOZASY-IWSPIJDZSA-N 0 1 233.233 3.189 20 0 BGADMN CC1CC(N[C@@H](CF)c2ccc(F)cc2)C1 ZINC000631798796 372581960 /nfs/dbraw/zinc/58/19/60/372581960.db2.gz ZGZOWHXREQUKRP-LDUAJXOISA-N 0 1 225.282 3.224 20 0 BGADMN CC1CC(N[C@H](CF)c2ccc(F)cc2)C1 ZINC000631798797 372581519 /nfs/dbraw/zinc/58/15/19/372581519.db2.gz ZGZOWHXREQUKRP-UTVJUBTNSA-N 0 1 225.282 3.224 20 0 BGADMN Cc1cscc1NC(=O)c1cn[nH]c1C(C)C ZINC000632038423 372734094 /nfs/dbraw/zinc/73/40/94/372734094.db2.gz YVFDLYRNMGZPCV-UHFFFAOYSA-N 0 1 249.339 3.155 20 0 BGADMN Cc1sccc1NC(=O)c1cn[nH]c1C(C)C ZINC000634217800 374037565 /nfs/dbraw/zinc/03/75/65/374037565.db2.gz ZFCRBKGLULHSMY-UHFFFAOYSA-N 0 1 249.339 3.155 20 0 BGADMN Cc1cc(NC(=O)c2cn[nH]c2C(C)C)cs1 ZINC000634425696 361949629 /nfs/dbraw/zinc/94/96/29/361949629.db2.gz VBWHWIHYYCZCBK-UHFFFAOYSA-N 0 1 249.339 3.155 20 0 BGADMN CC(C)C[C@@H](N)c1noc(C2CCC=CCC2)n1 ZINC000634554900 374312316 /nfs/dbraw/zinc/31/23/16/374312316.db2.gz SILUMUPZEIFPHM-GFCCVEGCSA-N 0 1 249.358 3.329 20 0 BGADMN CC(C)C[C@H](N)c1noc(C2CCC=CCC2)n1 ZINC000634554901 374311647 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C[C@H]1CCc2c(=O)n(-c3ccccc3Cl)[nH]c21 ZINC000634583318 342801384 /nfs/dbraw/zinc/80/13/84/342801384.db2.gz QWZNJHYIYRXIOS-IUCAKERBSA-N 0 1 248.713 3.089 20 0 BGADMN C[C@@H]1CCc2c(=O)n(-c3ccccc3Cl)[nH]c21 ZINC000634583319 342801524 /nfs/dbraw/zinc/80/15/24/342801524.db2.gz QWZNJHYIYRXIOS-RKDXNWHRSA-N 0 1 248.713 3.089 20 0 BGADMN O=c1cc(C2CCC2)[nH]n1-c1ccccc1Cl ZINC000634583333 342801554 /nfs/dbraw/zinc/80/15/54/342801554.db2.gz RFGRUWCXNHWFRQ-UHFFFAOYSA-N 0 1 248.713 3.233 20 0 BGADMN Cc1ccc(-n2[nH]c(C3(C)CC3)cc2=O)c(C)c1 ZINC000634583508 342803298 /nfs/dbraw/zinc/80/32/98/342803298.db2.gz YKXPVODKASMIKT-UHFFFAOYSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(-n2[nH]c(C3CCC3)cc2=O)c(C)c1 ZINC000634583522 342803240 /nfs/dbraw/zinc/80/32/40/342803240.db2.gz YWZNFJFWXSCAGP-UHFFFAOYSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c(C)c1 ZINC000634583533 342803290 /nfs/dbraw/zinc/80/32/90/342803290.db2.gz ZLYISPOVASJLJD-HZMBPMFUSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c(C)c1 ZINC000634583534 342803333 /nfs/dbraw/zinc/80/33/33/342803333.db2.gz ZLYISPOVASJLJD-IINYFYTJSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)[C@H](C)CC3)c(C)c1 ZINC000634583535 342803129 /nfs/dbraw/zinc/80/31/29/342803129.db2.gz ZLYISPOVASJLJD-QMTHXVAHSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)[C@H](C)CC3)c(C)c1 ZINC000634583536 342803576 /nfs/dbraw/zinc/80/35/76/342803576.db2.gz ZLYISPOVASJLJD-YGRLFVJLSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CC[C@@H]3C)c(C)c1 ZINC000634583543 342803549 /nfs/dbraw/zinc/80/35/49/342803549.db2.gz ZTMYSXWIZQGPOE-CMPLNLGQSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CC[C@@H]3C)c(C)c1 ZINC000634583544 342803611 /nfs/dbraw/zinc/80/36/11/342803611.db2.gz ZTMYSXWIZQGPOE-JQWIXIFHSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CC[C@H]3C)c(C)c1 ZINC000634583545 342803619 /nfs/dbraw/zinc/80/36/19/342803619.db2.gz ZTMYSXWIZQGPOE-PWSUYJOCSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CC[C@H]3C)c(C)c1 ZINC000634583546 342803395 /nfs/dbraw/zinc/80/33/95/342803395.db2.gz ZTMYSXWIZQGPOE-ZYHUDNBSSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634583758 342815293 /nfs/dbraw/zinc/81/52/93/342815293.db2.gz HEJIBSWLMAQOMI-BXUZGUMPSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634583759 342815272 /nfs/dbraw/zinc/81/52/72/342815272.db2.gz HEJIBSWLMAQOMI-FZMZJTMJSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634583760 342815365 /nfs/dbraw/zinc/81/53/65/342815365.db2.gz HEJIBSWLMAQOMI-RISCZKNCSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634583761 342815357 /nfs/dbraw/zinc/81/53/57/342815357.db2.gz HEJIBSWLMAQOMI-SMDDNHRTSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CC[C@H]3C)c1 ZINC000634583762 342815543 /nfs/dbraw/zinc/81/55/43/342815543.db2.gz HFZWWPCWQPWTFG-NEPJUHHUSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634583763 342815375 /nfs/dbraw/zinc/81/53/75/342815375.db2.gz HFZWWPCWQPWTFG-NWDGAFQWSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634583764 342815308 /nfs/dbraw/zinc/81/53/08/342815308.db2.gz HFZWWPCWQPWTFG-RYUDHWBXSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)CC[C@H]3C)c1 ZINC000634583765 342815483 /nfs/dbraw/zinc/81/54/83/342815483.db2.gz HFZWWPCWQPWTFG-VXGBXAGGSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634583906 342820994 /nfs/dbraw/zinc/82/09/94/342820994.db2.gz LXNPLUYWZVSMHE-AAEUAGOBSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CC[C@H]3C)c1 ZINC000634583907 342821071 /nfs/dbraw/zinc/82/10/71/342821071.db2.gz LXNPLUYWZVSMHE-DGCLKSJQSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634583908 342821026 /nfs/dbraw/zinc/82/10/26/342821026.db2.gz LXNPLUYWZVSMHE-WCQYABFASA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c3c(c2=O)CC[C@H]3C)c1 ZINC000634583909 342820898 /nfs/dbraw/zinc/82/08/98/342820898.db2.gz LXNPLUYWZVSMHE-YPMHNXCESA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c(C3CCC3)cc2=O)c1 ZINC000634583925 342820732 /nfs/dbraw/zinc/82/07/32/342820732.db2.gz MEYGGTICHAGFBS-UHFFFAOYSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c(C3(C)CC3)cc2=O)c1 ZINC000634584062 342827180 /nfs/dbraw/zinc/82/71/80/342827180.db2.gz QBQCBXYMZFTXRJ-UHFFFAOYSA-N 0 1 242.322 3.196 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634584066 342827147 /nfs/dbraw/zinc/82/71/47/342827147.db2.gz QCOAHZLZHRJUPW-BXUZGUMPSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634584067 342827265 /nfs/dbraw/zinc/82/72/65/342827265.db2.gz QCOAHZLZHRJUPW-FZMZJTMJSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634584068 342827049 /nfs/dbraw/zinc/82/70/49/342827049.db2.gz QCOAHZLZHRJUPW-RISCZKNCSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1ccc(C)c(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634584069 342827104 /nfs/dbraw/zinc/82/71/04/342827104.db2.gz QCOAHZLZHRJUPW-SMDDNHRTSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c(C3CCC3)cc2=O)c1 ZINC000634584121 342829182 /nfs/dbraw/zinc/82/91/82/342829182.db2.gz SPCQKEBJGPCCAL-UHFFFAOYSA-N 0 1 242.322 3.196 20 0 BGADMN CCCCc1[nH]n(Cc2ccccc2)c(=O)c1C ZINC000634584122 342828933 /nfs/dbraw/zinc/82/89/33/342828933.db2.gz SPDBWNCQEFSWJT-GFCCVEGCSA-N 0 1 244.338 3.211 20 0 BGADMN CCCCC1=NN(Cc2ccccc2)C(=O)[C@@H]1C ZINC000634584122 342828931 /nfs/dbraw/zinc/82/89/31/342828931.db2.gz SPDBWNCQEFSWJT-GFCCVEGCSA-N 0 1 244.338 3.211 20 0 BGADMN CCCCc1[nH]n(Cc2ccccc2)c(=O)c1C ZINC000634584123 342829090 /nfs/dbraw/zinc/82/90/90/342829090.db2.gz SPDBWNCQEFSWJT-LBPRGKRZSA-N 0 1 244.338 3.211 20 0 BGADMN CCCCC1=NN(Cc2ccccc2)C(=O)[C@H]1C ZINC000634584123 342829088 /nfs/dbraw/zinc/82/90/88/342829088.db2.gz SPDBWNCQEFSWJT-LBPRGKRZSA-N 0 1 244.338 3.211 20 0 BGADMN Cc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1C1CC1 ZINC000634584158 342835066 /nfs/dbraw/zinc/83/50/66/342835066.db2.gz UIDUTJGUOZOSNX-AWEZNQCLSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1C1CC1 ZINC000634584159 342835043 /nfs/dbraw/zinc/83/50/43/342835043.db2.gz UIDUTJGUOZOSNX-CQSZACIVSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1C1CC1 ZINC000634584298 342837011 /nfs/dbraw/zinc/83/70/11/342837011.db2.gz YSKXUDNDJVFHRD-AWEZNQCLSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1C1CC1 ZINC000634584299 342836942 /nfs/dbraw/zinc/83/69/42/342836942.db2.gz YSKXUDNDJVFHRD-CQSZACIVSA-N 0 1 242.322 3.052 20 0 BGADMN Cc1cc(C)cc(-n2[nH]c(C3(C)CC3)cc2=O)c1 ZINC000634584305 342837303 /nfs/dbraw/zinc/83/73/03/342837303.db2.gz ZAWYQTQZQCYNFB-UHFFFAOYSA-N 0 1 242.322 3.196 20 0 BGADMN CCCCn1[nH]c(CCc2ccccc2)cc1=O ZINC000634585252 342928114 /nfs/dbraw/zinc/92/81/14/342928114.db2.gz AQTQPIJNSUSIHW-UHFFFAOYSA-N 0 1 244.338 3.008 20 0 BGADMN CCCCn1[nH]c2c(c1=O)C[C@H](C(C)C)CC2 ZINC000634585474 342928844 /nfs/dbraw/zinc/92/88/44/342928844.db2.gz IAWZPNUPXYINPF-NEPJUHHUSA-N 0 1 236.359 3.057 20 0 BGADMN CCCCn1[nH]c2c(c1=O)C[C@@H](C(C)C)CC2 ZINC000634585475 342928722 /nfs/dbraw/zinc/92/87/22/342928722.db2.gz IAWZPNUPXYINPF-NWDGAFQWSA-N 0 1 236.359 3.057 20 0 BGADMN CCCCn1[nH]c2c(c1=O)C[C@@H](C(C)C)CC2 ZINC000634585476 342928760 /nfs/dbraw/zinc/92/87/60/342928760.db2.gz IAWZPNUPXYINPF-RYUDHWBXSA-N 0 1 236.359 3.057 20 0 BGADMN CCCCn1[nH]c2c(c1=O)C[C@H](C(C)C)CC2 ZINC000634585477 342928587 /nfs/dbraw/zinc/92/85/87/342928587.db2.gz IAWZPNUPXYINPF-VXGBXAGGSA-N 0 1 236.359 3.057 20 0 BGADMN CCc1c(=O)n(-c2ccccc2F)[nH]c1C(C)C ZINC000634587579 342932758 /nfs/dbraw/zinc/93/27/58/342932758.db2.gz RVAFPBMNBYKARX-JTQLQIEISA-N 0 1 248.301 3.211 20 0 BGADMN CC[C@@H]1C(=O)N(c2ccccc2F)N=C1C(C)C ZINC000634587579 342932757 /nfs/dbraw/zinc/93/27/57/342932757.db2.gz RVAFPBMNBYKARX-JTQLQIEISA-N 0 1 248.301 3.211 20 0 BGADMN CCc1c(=O)n(-c2ccccc2F)[nH]c1C(C)C ZINC000634587580 342932737 /nfs/dbraw/zinc/93/27/37/342932737.db2.gz RVAFPBMNBYKARX-SNVBAGLBSA-N 0 1 248.301 3.211 20 0 BGADMN CC[C@H]1C(=O)N(c2ccccc2F)N=C1C(C)C ZINC000634587580 342932736 /nfs/dbraw/zinc/93/27/36/342932736.db2.gz RVAFPBMNBYKARX-SNVBAGLBSA-N 0 1 248.301 3.211 20 0 BGADMN CC(C)[C@H]1CCc2[nH]n(C3CCCC3)c(=O)c2C1 ZINC000634587939 342932750 /nfs/dbraw/zinc/93/27/50/342932750.db2.gz DHZUZAFSJQXSIQ-AAEUAGOBSA-N 0 1 248.370 3.200 20 0 BGADMN CC(C)[C@@H]1CCc2[nH]n(C3CCCC3)c(=O)c2C1 ZINC000634587940 342932681 /nfs/dbraw/zinc/93/26/81/342932681.db2.gz DHZUZAFSJQXSIQ-DGCLKSJQSA-N 0 1 248.370 3.200 20 0 BGADMN CC(C)[C@H]1CCc2[nH]n(C3CCCC3)c(=O)c2C1 ZINC000634587941 342932784 /nfs/dbraw/zinc/93/27/84/342932784.db2.gz DHZUZAFSJQXSIQ-WCQYABFASA-N 0 1 248.370 3.200 20 0 BGADMN CC(C)[C@@H]1CCc2[nH]n(C3CCCC3)c(=O)c2C1 ZINC000634587942 342932772 /nfs/dbraw/zinc/93/27/72/342932772.db2.gz DHZUZAFSJQXSIQ-YPMHNXCESA-N 0 1 248.370 3.200 20 0 BGADMN CCCCc1[nH]n(CC(C)(C)C)c(=O)c1C ZINC000634588306 342934007 /nfs/dbraw/zinc/93/40/07/342934007.db2.gz OVLQWOGYWWRBEL-JTQLQIEISA-N 0 1 224.348 3.057 20 0 BGADMN CCCCC1=NN(CC(C)(C)C)C(=O)[C@H]1C ZINC000634588306 342934005 /nfs/dbraw/zinc/93/40/05/342934005.db2.gz OVLQWOGYWWRBEL-JTQLQIEISA-N 0 1 224.348 3.057 20 0 BGADMN CCCCc1[nH]n(CC(C)(C)C)c(=O)c1C ZINC000634588307 342934017 /nfs/dbraw/zinc/93/40/17/342934017.db2.gz OVLQWOGYWWRBEL-SNVBAGLBSA-N 0 1 224.348 3.057 20 0 BGADMN CCCCC1=NN(CC(C)(C)C)C(=O)[C@@H]1C ZINC000634588307 342934015 /nfs/dbraw/zinc/93/40/15/342934015.db2.gz OVLQWOGYWWRBEL-SNVBAGLBSA-N 0 1 224.348 3.057 20 0 BGADMN CC[C@@H](C)c1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000634588770 342934690 /nfs/dbraw/zinc/93/46/90/342934690.db2.gz DJXRWLYDXAZDSG-GFCCVEGCSA-N 0 1 244.338 3.129 20 0 BGADMN CC[C@H](C)c1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000634588771 342934846 /nfs/dbraw/zinc/93/48/46/342934846.db2.gz DJXRWLYDXAZDSG-LBPRGKRZSA-N 0 1 244.338 3.129 20 0 BGADMN CCc1ccccc1-n1[nH]c(C2(C)CC2)cc1=O ZINC000634589000 342935215 /nfs/dbraw/zinc/93/52/15/342935215.db2.gz LETMIGONXAAWKD-UHFFFAOYSA-N 0 1 242.322 3.142 20 0 BGADMN CCc1ccccc1-n1[nH]c(C2CCC2)cc1=O ZINC000634589070 342935293 /nfs/dbraw/zinc/93/52/93/342935293.db2.gz NEQQZYNWKHHHIC-UHFFFAOYSA-N 0 1 242.322 3.142 20 0 BGADMN CCCCc1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000634589178 342935145 /nfs/dbraw/zinc/93/51/45/342935145.db2.gz QBSBSBWHDVFDEW-UHFFFAOYSA-N 0 1 244.338 3.274 20 0 BGADMN CCCCc1cc(=O)n(Cc2cccc(F)c2)[nH]1 ZINC000634589632 342936244 /nfs/dbraw/zinc/93/62/44/342936244.db2.gz CUXCKYSDQNCDIT-UHFFFAOYSA-N 0 1 248.301 3.104 20 0 BGADMN CC1(c2cc(C(F)F)nn2-c2ccncc2)CC1 ZINC000634591526 342941887 /nfs/dbraw/zinc/94/18/87/342941887.db2.gz GSELMKUZTCCDDQ-UHFFFAOYSA-N 0 1 249.264 3.256 20 0 BGADMN c1c(C2CC2)nn(-c2ccncc2)c1C1CC1 ZINC000634591607 342941710 /nfs/dbraw/zinc/94/17/10/342941710.db2.gz IEACPLOJHHBFKP-UHFFFAOYSA-N 0 1 225.295 3.022 20 0 BGADMN Cc1[nH]n(-c2cccc(Cl)c2C)c(=O)c1C ZINC000634592171 342945873 /nfs/dbraw/zinc/94/58/73/342945873.db2.gz ALQYUUWUNPEOEG-SSDOTTSWSA-N 0 1 236.702 3.007 20 0 BGADMN Cc1[nH]n(-c2cccc(Cl)c2C)c(=O)c1C ZINC000634592172 342945878 /nfs/dbraw/zinc/94/58/78/342945878.db2.gz ALQYUUWUNPEOEG-ZETCQYMHSA-N 0 1 236.702 3.007 20 0 BGADMN Cc1c(Cl)cccc1-n1[nH]c(C2CC2)cc1=O ZINC000634592598 342946490 /nfs/dbraw/zinc/94/64/90/342946490.db2.gz ORBKNRYLWIJCEX-UHFFFAOYSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1c(Cl)cccc1-n1[nH]c2c(c1=O)CCC2 ZINC000634592713 342946249 /nfs/dbraw/zinc/94/62/49/342946249.db2.gz RRBCKYUJAJRPHO-SECBINFHSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1c(Cl)cccc1N1N=C2CCC[C@H]2C1=O ZINC000634592713 342946248 /nfs/dbraw/zinc/94/62/48/342946248.db2.gz RRBCKYUJAJRPHO-SECBINFHSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1c(Cl)cccc1-n1[nH]c2c(c1=O)CCC2 ZINC000634592714 342946477 /nfs/dbraw/zinc/94/64/77/342946477.db2.gz RRBCKYUJAJRPHO-VIFPVBQESA-N 0 1 248.713 3.151 20 0 BGADMN Cc1c(Cl)cccc1N1N=C2CCC[C@@H]2C1=O ZINC000634592714 342946475 /nfs/dbraw/zinc/94/64/75/342946475.db2.gz RRBCKYUJAJRPHO-VIFPVBQESA-N 0 1 248.713 3.151 20 0 BGADMN CCCCc1cc(=O)n(CCc2ccccc2)[nH]1 ZINC000634592726 342946499 /nfs/dbraw/zinc/94/64/99/342946499.db2.gz RXASTKLHOWLEOQ-UHFFFAOYSA-N 0 1 244.338 3.008 20 0 BGADMN CCc1c(=O)n(-c2cccc(F)c2)[nH]c1C(C)C ZINC000634592999 342949046 /nfs/dbraw/zinc/94/90/46/342949046.db2.gz BGPKPXHOGZVUDE-GFCCVEGCSA-N 0 1 248.301 3.211 20 0 BGADMN CCc1c(=O)n(-c2cccc(F)c2)[nH]c1C(C)C ZINC000634593000 342949246 /nfs/dbraw/zinc/94/92/46/342949246.db2.gz BGPKPXHOGZVUDE-LBPRGKRZSA-N 0 1 248.301 3.211 20 0 BGADMN CCc1ccc(-n2[nH]c(C3CCC3)cc2=O)cc1 ZINC000634593903 342953247 /nfs/dbraw/zinc/95/32/47/342953247.db2.gz DGEIORNWAXRGTR-UHFFFAOYSA-N 0 1 242.322 3.142 20 0 BGADMN CSc1ccc(-n2[nH]c(C(C)C)cc2=O)cc1 ZINC000634594035 342953193 /nfs/dbraw/zinc/95/31/93/342953193.db2.gz IOBHZZBZFWKLGI-UHFFFAOYSA-N 0 1 248.351 3.157 20 0 BGADMN CCCCc1cc(=O)n(C2CCCCC2)[nH]1 ZINC000634594162 342953576 /nfs/dbraw/zinc/95/35/76/342953576.db2.gz MUIAILDQCHNAMU-UHFFFAOYSA-N 0 1 222.332 3.098 20 0 BGADMN Cc1ccc(-n2[nH]c(C3CC3)cc2=O)c(Cl)c1 ZINC000634594172 342953740 /nfs/dbraw/zinc/95/37/40/342953740.db2.gz NCRPHKVXBKKNMO-UHFFFAOYSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CCC3)c(Cl)c1 ZINC000634594273 342952343 /nfs/dbraw/zinc/95/23/43/342952343.db2.gz QAGUSDCQJOXIAB-SECBINFHSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1ccc(N2N=C3CCC[C@H]3C2=O)c(Cl)c1 ZINC000634594273 342952341 /nfs/dbraw/zinc/95/23/41/342952341.db2.gz QAGUSDCQJOXIAB-SECBINFHSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1ccc(-n2[nH]c3c(c2=O)CCC3)c(Cl)c1 ZINC000634594274 342952260 /nfs/dbraw/zinc/95/22/60/342952260.db2.gz QAGUSDCQJOXIAB-VIFPVBQESA-N 0 1 248.713 3.151 20 0 BGADMN Cc1ccc(N2N=C3CCC[C@@H]3C2=O)c(Cl)c1 ZINC000634594274 342952258 /nfs/dbraw/zinc/95/22/58/342952258.db2.gz QAGUSDCQJOXIAB-VIFPVBQESA-N 0 1 248.713 3.151 20 0 BGADMN 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ZINC000639523050 356369875 /nfs/dbraw/zinc/36/98/75/356369875.db2.gz SUUUOYCZZQDARB-MRXNPFEDSA-N 0 1 243.350 3.117 20 0 BGADMN CC(=O)CN(Cc1cccc(F)c1)C1CCCC1 ZINC000639524917 356373430 /nfs/dbraw/zinc/37/34/30/356373430.db2.gz OKXYQSCDGIENOD-UHFFFAOYSA-N 0 1 249.329 3.159 20 0 BGADMN CC(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000639529166 356378121 /nfs/dbraw/zinc/37/81/21/356378121.db2.gz BWWHHYFHLKHDKZ-UHFFFAOYSA-N 0 1 233.355 3.224 20 0 BGADMN CC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000639539403 356392426 /nfs/dbraw/zinc/39/24/26/356392426.db2.gz WLUILEIMCCGEJM-CYBMUJFWSA-N 0 1 237.318 3.092 20 0 BGADMN CC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000639539405 356392138 /nfs/dbraw/zinc/39/21/38/356392138.db2.gz WLUILEIMCCGEJM-ZDUSSCGKSA-N 0 1 237.318 3.092 20 0 BGADMN CC[C@@H]1CC[C@H](C)N1Cc1nc(C2CCC2)no1 ZINC000639559336 356465924 /nfs/dbraw/zinc/46/59/24/356465924.db2.gz PESDOJHUVVEJOM-CMPLNLGQSA-N 0 1 249.358 3.100 20 0 BGADMN CC[C@H]1CC[C@H](C)N1Cc1nc(C2CCC2)no1 ZINC000639559338 356465985 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BGADMN C[C@@H](NCc1nc(C2CCC2)no1)C1CCCC1 ZINC000639579065 356499816 /nfs/dbraw/zinc/49/98/16/356499816.db2.gz AULIODGILXFJCR-SNVBAGLBSA-N 0 1 249.358 3.005 20 0 BGADMN CC(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000639580300 356501035 /nfs/dbraw/zinc/50/10/35/356501035.db2.gz MDMOBEDRQSQYBB-JTQLQIEISA-N 0 1 233.336 3.141 20 0 BGADMN CC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000639580311 356500997 /nfs/dbraw/zinc/50/09/97/356500997.db2.gz MDMOBEDRQSQYBB-SNVBAGLBSA-N 0 1 233.336 3.141 20 0 BGADMN C[C@H]1CCCC[C@H]1NCc1nc(C2CCC2)no1 ZINC000639580817 356501780 /nfs/dbraw/zinc/50/17/80/356501780.db2.gz IDZCGCROTOLSQS-CMPLNLGQSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@H]1CCCC[C@@H]1NCc1nc(C2CCC2)no1 ZINC000639580818 356501562 /nfs/dbraw/zinc/50/15/62/356501562.db2.gz IDZCGCROTOLSQS-JQWIXIFHSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@@H]1CCCC[C@@H]1NCc1nc(C2CCC2)no1 ZINC000639580819 356501938 /nfs/dbraw/zinc/50/19/38/356501938.db2.gz IDZCGCROTOLSQS-PWSUYJOCSA-N 0 1 249.358 3.005 20 0 BGADMN 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356558987 /nfs/dbraw/zinc/55/89/87/356558987.db2.gz HKMSDDVIVAHHIO-NSHDSACASA-N 0 1 245.297 3.219 20 0 BGADMN CC(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000639651655 356563218 /nfs/dbraw/zinc/56/32/18/356563218.db2.gz DQGYLKATGRTVIP-CYBMUJFWSA-N 0 1 219.328 3.047 20 0 BGADMN CC(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000639651656 356563363 /nfs/dbraw/zinc/56/33/63/356563363.db2.gz DQGYLKATGRTVIP-ZDUSSCGKSA-N 0 1 219.328 3.047 20 0 BGADMN CCC(F)(F)CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000639652184 356564184 /nfs/dbraw/zinc/56/41/84/356564184.db2.gz MZPFGALGCWSVNR-BDAKNGLRSA-N 0 1 239.256 3.009 20 0 BGADMN CCC(F)(F)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000639652185 356563596 /nfs/dbraw/zinc/56/35/96/356563596.db2.gz MZPFGALGCWSVNR-DTWKUNHWSA-N 0 1 239.256 3.009 20 0 BGADMN CCC1(NCc2nc(C3CCC3)no2)CCCC1 ZINC000639657911 356573431 /nfs/dbraw/zinc/57/34/31/356573431.db2.gz CRJORPBYGVSLDM-UHFFFAOYSA-N 0 1 249.358 3.150 20 0 BGADMN C[C@H]1CCC(C)(C)N1Cc1nc(C2CCC2)no1 ZINC000639668746 356575224 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/nfs/dbraw/zinc/19/50/06/385195006.db2.gz IQPSANLDZGCRCL-UHFFFAOYSA-N 0 1 234.343 3.144 20 0 BGADMN C[C@H](CC1CCCCC1)CN1CCO[C@@H]2C[C@@H]21 ZINC000644836598 385844470 /nfs/dbraw/zinc/84/44/70/385844470.db2.gz DCAIAPPBXCITNM-VHDGCEQUSA-N 0 1 237.387 3.066 20 0 BGADMN C[C@H](CC1CCCCC1)CN1CCO[C@H]2C[C@H]21 ZINC000644836601 385844485 /nfs/dbraw/zinc/84/44/85/385844485.db2.gz DCAIAPPBXCITNM-YUELXQCFSA-N 0 1 237.387 3.066 20 0 BGADMN CCCC[C@H](CC)CCN1CCO[C@@H]2C[C@@H]21 ZINC000644836722 385844148 /nfs/dbraw/zinc/84/41/48/385844148.db2.gz FOYQTXGBTWAPEO-MELADBBJSA-N 0 1 225.376 3.066 20 0 BGADMN CCCC[C@H](CC)CCN1CCO[C@H]2C[C@H]21 ZINC000644836723 385843968 /nfs/dbraw/zinc/84/39/68/385843968.db2.gz FOYQTXGBTWAPEO-MJBXVCDLSA-N 0 1 225.376 3.066 20 0 BGADMN CC(C)=CCC[C@H](C)CCN1CCO[C@@H]2C[C@@H]21 ZINC000644837042 385848673 /nfs/dbraw/zinc/84/86/73/385848673.db2.gz GJUXFNCGTXAKPG-SOUVJXGZSA-N 0 1 237.387 3.232 20 0 BGADMN CC(C)=CCC[C@H](C)CCN1CCO[C@H]2C[C@H]21 ZINC000644837045 385848837 /nfs/dbraw/zinc/84/88/37/385848837.db2.gz GJUXFNCGTXAKPG-ZNMIVQPWSA-N 0 1 237.387 3.232 20 0 BGADMN [O-]c1cccc2c(N[C@@H]3C[C@H]4C[C@H]4C3)cc[nH+]c12 ZINC000644883821 386099078 /nfs/dbraw/zinc/09/90/78/386099078.db2.gz BPHWOGYIFXSSDZ-JGPRNRPPSA-N 0 1 240.306 3.151 20 0 BGADMN CCCCOc1ccccc1CN[C@@H](C)CF ZINC000644891954 386353171 /nfs/dbraw/zinc/35/31/71/386353171.db2.gz KREXFPCKYLQDKO-LBPRGKRZSA-N 0 1 239.334 3.313 20 0 BGADMN CCCCOc1ccc(CN[C@@H](C)CF)cc1 ZINC000644892099 386355838 /nfs/dbraw/zinc/35/58/38/386355838.db2.gz WCAYURJELZXUPJ-LBPRGKRZSA-N 0 1 239.334 3.313 20 0 BGADMN CC(C)n1cncc1CN1C2CCCC1CCC2 ZINC000644901877 383951855 /nfs/dbraw/zinc/95/18/55/383951855.db2.gz BHFMOVIGPCLSAL-UHFFFAOYSA-N 0 1 247.386 3.371 20 0 BGADMN C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)[C@H](C)C1 ZINC000644906108 384029071 /nfs/dbraw/zinc/02/90/71/384029071.db2.gz QAIOCAJLRIKJOD-VXGBXAGGSA-N 0 1 243.354 3.183 20 0 BGADMN C[C@@H]1CC[N@H+](Cc2n[nH]c3ccccc32)[C@H](C)C1 ZINC000644906108 384029064 /nfs/dbraw/zinc/02/90/64/384029064.db2.gz QAIOCAJLRIKJOD-VXGBXAGGSA-N 0 1 243.354 3.183 20 0 BGADMN CC(C)C[C@@H](C)CN1Cc2cccnc2C1 ZINC000644932836 386629034 /nfs/dbraw/zinc/62/90/34/386629034.db2.gz OVLDMJPWZTYULW-GFCCVEGCSA-N 0 1 218.344 3.079 20 0 BGADMN CC(C)C[C@H](C)CN1Cc2cccnc2C1 ZINC000644932837 386628722 /nfs/dbraw/zinc/62/87/22/386628722.db2.gz OVLDMJPWZTYULW-LBPRGKRZSA-N 0 1 218.344 3.079 20 0 BGADMN c1ccc2c(c1)CC[C@@H]2N1Cc2cccnc2C1 ZINC000644932909 386630097 /nfs/dbraw/zinc/63/00/97/386630097.db2.gz UIIJIZWSGIGUMX-INIZCTEOSA-N 0 1 236.318 3.085 20 0 BGADMN c1ccc2c(c1)CC[C@H]2N1Cc2cccnc2C1 ZINC000644932911 386629832 /nfs/dbraw/zinc/62/98/32/386629832.db2.gz UIIJIZWSGIGUMX-MRXNPFEDSA-N 0 1 236.318 3.085 20 0 BGADMN CCC(C)(C)CCN1Cc2cccnc2C1 ZINC000644933622 386631095 /nfs/dbraw/zinc/63/10/95/386631095.db2.gz AOKUROOBCOFIPE-UHFFFAOYSA-N 0 1 218.344 3.224 20 0 BGADMN CC(F)(F)CNc1cc[nH+]c2c([O-])cccc12 ZINC000645048507 386690587 /nfs/dbraw/zinc/69/05/87/386690587.db2.gz FRVQRVCNBJTSLD-UHFFFAOYSA-N 0 1 238.237 3.008 20 0 BGADMN CC(F)(F)CNc1ccnc2cc(F)ccc21 ZINC000645048566 386690398 /nfs/dbraw/zinc/69/03/98/386690398.db2.gz NHGHQCCRYKZDQW-UHFFFAOYSA-N 0 1 240.228 3.441 20 0 BGADMN C[C@@H](F)CCNc1cc[nH+]c2c([O-])cccc12 ZINC000645048784 386690815 /nfs/dbraw/zinc/69/08/15/386690815.db2.gz BUMXIFTVRDVARU-SECBINFHSA-N 0 1 234.274 3.100 20 0 BGADMN C[C@H](F)CCNc1cc[nH+]c2c([O-])cccc12 ZINC000645048785 386689929 /nfs/dbraw/zinc/68/99/29/386689929.db2.gz BUMXIFTVRDVARU-VIFPVBQESA-N 0 1 234.274 3.100 20 0 BGADMN Cc1nc(C(C)C)ccc1CN1CC=CCC1 ZINC000645112412 386730702 /nfs/dbraw/zinc/73/07/02/386730702.db2.gz SAPMOLHPWHEEPH-UHFFFAOYSA-N 0 1 230.355 3.275 20 0 BGADMN Cc1ccnc(NC[C@H](C)CC(F)F)c1 ZINC000645305301 386191825 /nfs/dbraw/zinc/19/18/25/386191825.db2.gz SGSVJDNEEWLCHJ-SECBINFHSA-N 0 1 214.259 3.093 20 0 BGADMN Cc1ccnc(NC[C@@H](C)CC(F)F)c1 ZINC000645305302 386189856 /nfs/dbraw/zinc/18/98/56/386189856.db2.gz SGSVJDNEEWLCHJ-VIFPVBQESA-N 0 1 214.259 3.093 20 0 BGADMN Cc1cccc(NC[C@H](C)CC(F)F)n1 ZINC000645306416 386234023 /nfs/dbraw/zinc/23/40/23/386234023.db2.gz HHKLROCBBHBDJK-MRVPVSSYSA-N 0 1 214.259 3.093 20 0 BGADMN Cc1cccc(NC[C@@H](C)CC(F)F)n1 ZINC000645306417 386235081 /nfs/dbraw/zinc/23/50/81/386235081.db2.gz HHKLROCBBHBDJK-QMMMGPOBSA-N 0 1 214.259 3.093 20 0 BGADMN Cc1nccc(NC[C@H](C)CC(F)F)c1Cl ZINC000645307908 386244874 /nfs/dbraw/zinc/24/48/74/386244874.db2.gz UZYGHKQKLBXUGU-SSDOTTSWSA-N 0 1 248.704 3.169 20 0 BGADMN Cc1nccc(NC[C@@H](C)CC(F)F)c1Cl ZINC000645307909 386245071 /nfs/dbraw/zinc/24/50/71/386245071.db2.gz UZYGHKQKLBXUGU-ZETCQYMHSA-N 0 1 248.704 3.169 20 0 BGADMN Cc1cccc(NCC2CCC(F)CC2)n1 ZINC000645389513 386073739 /nfs/dbraw/zinc/07/37/39/386073739.db2.gz CLNQIVRMQYVWMA-UHFFFAOYSA-N 0 1 222.307 3.330 20 0 BGADMN Cc1ccnc(NCC2CCC(F)CC2)c1 ZINC000645390116 386088465 /nfs/dbraw/zinc/08/84/65/386088465.db2.gz LMZPQBCPDWEVJM-UHFFFAOYSA-N 0 1 222.307 3.330 20 0 BGADMN CN(CC1=CCCC1)Cc1ccccc1F ZINC000645766898 387888995 /nfs/dbraw/zinc/88/89/95/387888995.db2.gz HDTZUZHOMHTDFD-UHFFFAOYSA-N 0 1 219.303 3.368 20 0 BGADMN Cc1ccc(CN(C)CC2=CCCC2)o1 ZINC000645772376 387894545 /nfs/dbraw/zinc/89/45/45/387894545.db2.gz VZJXSXMPHXTOQC-UHFFFAOYSA-N 0 1 205.301 3.130 20 0 BGADMN CN(Cc1cc(Cl)cn1C)CC1=CCCC1 ZINC000645814243 387989189 /nfs/dbraw/zinc/98/91/89/387989189.db2.gz ASTVPXPPZMBKIT-UHFFFAOYSA-N 0 1 238.762 3.221 20 0 BGADMN COCCN(Cc1ccc(C)o1)CC1=CCCC1 ZINC000645814760 387994908 /nfs/dbraw/zinc/99/49/08/387994908.db2.gz LQHMNWXUBWGSDA-UHFFFAOYSA-N 0 1 249.354 3.147 20 0 BGADMN Cc1csc(C(C)(C)NCC2=CCCC2)n1 ZINC000645828431 388037153 /nfs/dbraw/zinc/03/71/53/388037153.db2.gz RLZWBJZUIDTXBQ-UHFFFAOYSA-N 0 1 236.384 3.387 20 0 BGADMN CC[C@@](C)(NCC1=CCCC1)c1nccs1 ZINC000645829795 388043059 /nfs/dbraw/zinc/04/30/59/388043059.db2.gz VYSHEPJPRSYRQZ-CYBMUJFWSA-N 0 1 236.384 3.468 20 0 BGADMN CC[C@](C)(NCC1=CCCC1)c1nccs1 ZINC000645829796 388043499 /nfs/dbraw/zinc/04/34/99/388043499.db2.gz VYSHEPJPRSYRQZ-ZDUSSCGKSA-N 0 1 236.384 3.468 20 0 BGADMN CN(CC1=CCCC1)Cc1nc2ccccc2o1 ZINC000645835477 387728244 /nfs/dbraw/zinc/72/82/44/387728244.db2.gz SHYDBTACXCYGIO-UHFFFAOYSA-N 0 1 242.322 3.370 20 0 BGADMN CC1=CCN(CCc2c(F)cccc2F)CC1 ZINC000645840628 387788404 /nfs/dbraw/zinc/78/84/04/387788404.db2.gz BXTJMAJNXQTSQK-UHFFFAOYSA-N 0 1 237.293 3.159 20 0 BGADMN FC(F)(F)C1=CCN(CC2=CCCC2)CC1 ZINC000645840663 387788432 /nfs/dbraw/zinc/78/84/32/387788432.db2.gz DFVHJUCLEMRZPD-UHFFFAOYSA-N 0 1 231.261 3.291 20 0 BGADMN C1=C(CN(Cc2ccccn2)C2CC2)CCC1 ZINC000645845110 387826650 /nfs/dbraw/zinc/82/66/50/387826650.db2.gz FWWCSZKSZHLTKI-UHFFFAOYSA-N 0 1 228.339 3.156 20 0 BGADMN CCc1ccc([C@H](COC)NCC2=CCCC2)o1 ZINC000645853492 387870724 /nfs/dbraw/zinc/87/07/24/387870724.db2.gz TWMFTZOALMEXQZ-AWEZNQCLSA-N 0 1 249.354 3.229 20 0 BGADMN CCc1ccc([C@@H](COC)NCC2=CCCC2)o1 ZINC000645853493 387871006 /nfs/dbraw/zinc/87/10/06/387871006.db2.gz TWMFTZOALMEXQZ-CQSZACIVSA-N 0 1 249.354 3.229 20 0 BGADMN Cc1cnc(C(C)(C)NCC2=CCCC2)s1 ZINC000645855106 387873136 /nfs/dbraw/zinc/87/31/36/387873136.db2.gz KWYRWYNPUJQDEA-UHFFFAOYSA-N 0 1 236.384 3.387 20 0 BGADMN Cc1nc([C@@H](C)NCC2=CCCC2)cs1 ZINC000645855413 387873703 /nfs/dbraw/zinc/87/37/03/387873703.db2.gz APPUEWXAKZFTKJ-SECBINFHSA-N 0 1 222.357 3.212 20 0 BGADMN Cc1nc([C@H](C)NCC2=CCCC2)cs1 ZINC000645855414 387874449 /nfs/dbraw/zinc/87/44/49/387874449.db2.gz APPUEWXAKZFTKJ-VIFPVBQESA-N 0 1 222.357 3.212 20 0 BGADMN CCc1nc([C@H](C)NCC2=CCCC2)cs1 ZINC000645855728 387874552 /nfs/dbraw/zinc/87/45/52/387874552.db2.gz PPGRBNWTMXDJPD-JTQLQIEISA-N 0 1 236.384 3.466 20 0 BGADMN CCc1nc([C@@H](C)NCC2=CCCC2)cs1 ZINC000645855729 387874158 /nfs/dbraw/zinc/87/41/58/387874158.db2.gz PPGRBNWTMXDJPD-SNVBAGLBSA-N 0 1 236.384 3.466 20 0 BGADMN CC1=CCCN(CCc2c(F)cccc2F)C1 ZINC000645896976 388056793 /nfs/dbraw/zinc/05/67/93/388056793.db2.gz MUKFVGYHLWLYOU-UHFFFAOYSA-N 0 1 237.293 3.159 20 0 BGADMN CC(C)c1ncc(CN(C)CC2=CCCC2)cn1 ZINC000645897551 388058162 /nfs/dbraw/zinc/05/81/62/388058162.db2.gz YNAULDCKBFNSTR-UHFFFAOYSA-N 0 1 245.370 3.142 20 0 BGADMN c1cc([C@@H]2CCCCN2CC2=CCCC2)n[nH]1 ZINC000645909480 388172362 /nfs/dbraw/zinc/17/23/62/388172362.db2.gz LZKPNCFATISUKA-AWEZNQCLSA-N 0 1 231.343 3.047 20 0 BGADMN c1cc([C@H]2CCCCN2CC2=CCCC2)n[nH]1 ZINC000645909481 388172745 /nfs/dbraw/zinc/17/27/45/388172745.db2.gz LZKPNCFATISUKA-CQSZACIVSA-N 0 1 231.343 3.047 20 0 BGADMN C[C@@H](NCC1=CCCC1)c1c(F)cncc1F ZINC000645912713 388245567 /nfs/dbraw/zinc/24/55/67/388245567.db2.gz RPOZTADRGORTHZ-SECBINFHSA-N 0 1 238.281 3.121 20 0 BGADMN C[C@H](NCC1=CCCC1)c1c(F)cncc1F ZINC000645912714 388245496 /nfs/dbraw/zinc/24/54/96/388245496.db2.gz RPOZTADRGORTHZ-VIFPVBQESA-N 0 1 238.281 3.121 20 0 BGADMN COc1cccc2c1CN(CC1=CCCC1)CC2 ZINC000645925301 388086545 /nfs/dbraw/zinc/08/65/45/388086545.db2.gz IXPJRCJXWMQQHK-UHFFFAOYSA-N 0 1 243.350 3.164 20 0 BGADMN Cc1ccccc1C1(NCc2cccnc2)CC1 ZINC000645979538 388114069 /nfs/dbraw/zinc/11/40/69/388114069.db2.gz RKYUIMXOKVBNNG-UHFFFAOYSA-N 0 1 238.334 3.169 20 0 BGADMN Cc1ccccc1C1(NCc2ccccn2)CC1 ZINC000645979855 388114791 /nfs/dbraw/zinc/11/47/91/388114791.db2.gz LABRDMFTHCPVOY-UHFFFAOYSA-N 0 1 238.334 3.169 20 0 BGADMN COc1ccccc1C1(NCC=C(C)C)CC1 ZINC000645999328 487880399 /nfs/dbraw/zinc/88/03/99/487880399.db2.gz SAWCSCDKYMCUBP-UHFFFAOYSA-N 0 1 231.339 3.240 20 0 BGADMN CCc1nnc([C@H](C)N(C)CCC(C)(C)C)o1 ZINC000646027765 388126932 /nfs/dbraw/zinc/12/69/32/388126932.db2.gz ANGNWZGGHABDKX-JTQLQIEISA-N 0 1 239.363 3.061 20 0 BGADMN CCc1nnc([C@@H](C)N(C)CCC(C)(C)C)o1 ZINC000646027766 388126738 /nfs/dbraw/zinc/12/67/38/388126738.db2.gz ANGNWZGGHABDKX-SNVBAGLBSA-N 0 1 239.363 3.061 20 0 BGADMN CC(C)n1ccc(CN(C)CCC(C)(C)C)n1 ZINC000646027785 388127396 /nfs/dbraw/zinc/12/73/96/388127396.db2.gz BISJHELFVQWKLC-UHFFFAOYSA-N 0 1 237.391 3.332 20 0 BGADMN Cc1nc(CN(C)CCC(C)(C)C)oc1C ZINC000646027924 388126674 /nfs/dbraw/zinc/12/66/74/388126674.db2.gz PSSMFVVIZDDNAF-UHFFFAOYSA-N 0 1 224.348 3.159 20 0 BGADMN Cc1cnc([C@@H](C)N(C)CCC(C)(C)C)o1 ZINC000646028559 388128548 /nfs/dbraw/zinc/12/85/48/388128548.db2.gz DTLUEUMEPXOJOY-LLVKDONJSA-N 0 1 224.348 3.412 20 0 BGADMN Cc1cnc([C@H](C)N(C)CCC(C)(C)C)o1 ZINC000646028560 388128308 /nfs/dbraw/zinc/12/83/08/388128308.db2.gz DTLUEUMEPXOJOY-NSHDSACASA-N 0 1 224.348 3.412 20 0 BGADMN Cc1cnc(CN(C)CCC(C)(C)C)s1 ZINC000646028581 388127755 /nfs/dbraw/zinc/12/77/55/388127755.db2.gz GCIJEWVCAFKZNF-UHFFFAOYSA-N 0 1 226.389 3.320 20 0 BGADMN CN(CCC(C)(C)C)Cc1ccncc1F ZINC000646028982 388128872 /nfs/dbraw/zinc/12/88/72/388128872.db2.gz SUMNMHPHMROSCV-UHFFFAOYSA-N 0 1 224.323 3.089 20 0 BGADMN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2ncc[nH]2)C1 ZINC000646050875 388132351 /nfs/dbraw/zinc/13/23/51/388132351.db2.gz ROWUTDULRGGTET-CHWSQXEVSA-N 0 1 247.386 3.058 20 0 BGADMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2ncc[nH]2)C1 ZINC000646050876 388132291 /nfs/dbraw/zinc/13/22/91/388132291.db2.gz ROWUTDULRGGTET-OLZOCXBDSA-N 0 1 247.386 3.058 20 0 BGADMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2ncc[nH]2)C1 ZINC000646050877 388132421 /nfs/dbraw/zinc/13/24/21/388132421.db2.gz ROWUTDULRGGTET-QWHCGFSZSA-N 0 1 247.386 3.058 20 0 BGADMN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2ncc[nH]2)C1 ZINC000646050878 388132702 /nfs/dbraw/zinc/13/27/02/388132702.db2.gz ROWUTDULRGGTET-STQMWFEESA-N 0 1 247.386 3.058 20 0 BGADMN FCCNC1(c2cccc(Cl)c2)CCC1 ZINC000646095388 388141456 /nfs/dbraw/zinc/14/14/56/388141456.db2.gz OYMVNISOEGJJPA-UHFFFAOYSA-N 0 1 227.710 3.278 20 0 BGADMN Cc1sccc1CN1CC[C@@H](C)[C@H](F)C1 ZINC000646153313 388157530 /nfs/dbraw/zinc/15/75/30/388157530.db2.gz CYPYAJUZHLJJHL-BXKDBHETSA-N 0 1 227.348 3.236 20 0 BGADMN Cc1sccc1CN1CC[C@H](C)[C@@H](F)C1 ZINC000646153314 388157305 /nfs/dbraw/zinc/15/73/05/388157305.db2.gz CYPYAJUZHLJJHL-CABZTGNLSA-N 0 1 227.348 3.236 20 0 BGADMN Cc1sccc1CN1CC[C@H](C)[C@H](F)C1 ZINC000646153315 388157239 /nfs/dbraw/zinc/15/72/39/388157239.db2.gz CYPYAJUZHLJJHL-JOYOIKCWSA-N 0 1 227.348 3.236 20 0 BGADMN Cc1sccc1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000646153316 388157269 /nfs/dbraw/zinc/15/72/69/388157269.db2.gz CYPYAJUZHLJJHL-SKDRFNHKSA-N 0 1 227.348 3.236 20 0 BGADMN Cc1cc(Cl)cc(CN2CC=CCC2)c1 ZINC000646154159 388157506 /nfs/dbraw/zinc/15/75/06/388157506.db2.gz FZWCIDLJMQABOX-UHFFFAOYSA-N 0 1 221.731 3.410 20 0 BGADMN CC1=CC[C@@H](NC(C)(C)C(F)F)CC1 ZINC000646182307 388160749 /nfs/dbraw/zinc/16/07/49/388160749.db2.gz UHCFLXWLIXBLJT-SECBINFHSA-N 0 1 203.276 3.119 20 0 BGADMN CC1=CC[C@H](NC(C)(C)C(F)F)CC1 ZINC000646182308 388160781 /nfs/dbraw/zinc/16/07/81/388160781.db2.gz UHCFLXWLIXBLJT-VIFPVBQESA-N 0 1 203.276 3.119 20 0 BGADMN Cc1nocc1CN(C)C(C)(C)c1ccccc1 ZINC000646190217 388161689 /nfs/dbraw/zinc/16/16/89/388161689.db2.gz QFRHHIHMCOXHPX-UHFFFAOYSA-N 0 1 244.338 3.350 20 0 BGADMN CC1=CC[C@@H](N[C@@H]2CCCC2(F)F)CC1 ZINC000646203222 388163533 /nfs/dbraw/zinc/16/35/33/388163533.db2.gz MQQVGAGPOUJPNF-GHMZBOCLSA-N 0 1 215.287 3.263 20 0 BGADMN CC1=CC[C@@H](N[C@H]2CCCC2(F)F)CC1 ZINC000646203231 388163496 /nfs/dbraw/zinc/16/34/96/388163496.db2.gz MQQVGAGPOUJPNF-MNOVXSKESA-N 0 1 215.287 3.263 20 0 BGADMN CC1=CC[C@H](N[C@H]2CCCC2(F)F)CC1 ZINC000646203232 388163662 /nfs/dbraw/zinc/16/36/62/388163662.db2.gz MQQVGAGPOUJPNF-QWRGUYRKSA-N 0 1 215.287 3.263 20 0 BGADMN CC1=CC[C@H](N[C@@H]2CCCC2(F)F)CC1 ZINC000646203233 388163365 /nfs/dbraw/zinc/16/33/65/388163365.db2.gz MQQVGAGPOUJPNF-WDEREUQCSA-N 0 1 215.287 3.263 20 0 BGADMN Cc1cc(Cl)cc(CN2CC(C3CC3)C2)c1 ZINC000646205862 388163867 /nfs/dbraw/zinc/16/38/67/388163867.db2.gz COZPHOZESNKOLL-UHFFFAOYSA-N 0 1 235.758 3.490 20 0 BGADMN CC(F)(F)CNCCCCOc1ccccc1 ZINC000646244380 388170212 /nfs/dbraw/zinc/17/02/12/388170212.db2.gz XYSRFSYPTLYILY-UHFFFAOYSA-N 0 1 243.297 3.090 20 0 BGADMN CC(C)(C)c1nc(SCC2=CCCC2)n[nH]1 ZINC000647116356 384318339 /nfs/dbraw/zinc/31/83/39/384318339.db2.gz PRNRGQAZPXFPHI-UHFFFAOYSA-N 0 1 237.372 3.305 20 0 BGADMN CC(C)(C)c1n[nH]c(SCC2=CCCC2)n1 ZINC000647116356 384318335 /nfs/dbraw/zinc/31/83/35/384318335.db2.gz PRNRGQAZPXFPHI-UHFFFAOYSA-N 0 1 237.372 3.305 20 0 BGADMN CCC(C)(CC)c1nc([C@@H](N)CC(C)C)no1 ZINC000647133889 385057854 /nfs/dbraw/zinc/05/78/54/385057854.db2.gz LOJBJFBEHHPYCW-JTQLQIEISA-N 0 1 239.363 3.193 20 0 BGADMN CCC(C)(CC)c1nc([C@H](N)CC(C)C)no1 ZINC000647133890 385059251 /nfs/dbraw/zinc/05/92/51/385059251.db2.gz LOJBJFBEHHPYCW-SNVBAGLBSA-N 0 1 239.363 3.193 20 0 BGADMN C[C@H](c1nc(C2(N)CCCC2)no1)C1CCCC1 ZINC000647137547 385106427 /nfs/dbraw/zinc/10/64/27/385106427.db2.gz YYCFJHMPDFIRGG-JTQLQIEISA-N 0 1 249.358 3.091 20 0 BGADMN C[C@@H](c1nc(C2(N)CCCC2)no1)C1CCCC1 ZINC000647137548 385105192 /nfs/dbraw/zinc/10/51/92/385105192.db2.gz YYCFJHMPDFIRGG-SNVBAGLBSA-N 0 1 249.358 3.091 20 0 BGADMN CC(C)(C)C1CC(c2nc([C@@H]3CCCN3)no2)C1 ZINC000647144206 383832004 /nfs/dbraw/zinc/83/20/04/383832004.db2.gz QBRYQPWLSDAMPV-ILDUYXDCSA-N 0 1 249.358 3.034 20 0 BGADMN CC(C)(C)C1CC(c2nc([C@H]3CCCN3)no2)C1 ZINC000647144207 383831813 /nfs/dbraw/zinc/83/18/13/383831813.db2.gz QBRYQPWLSDAMPV-VQXHTEKXSA-N 0 1 249.358 3.034 20 0 BGADMN CC1(C)CC=C(c2nc([C@H]3CCCN3)no2)CC1 ZINC000647144297 383833534 /nfs/dbraw/zinc/83/35/34/383833534.db2.gz TXNHTLXKUBRBFN-LLVKDONJSA-N 0 1 247.342 3.088 20 0 BGADMN CC1(C)CC=C(c2nc([C@@H]3CCCN3)no2)CC1 ZINC000647144298 383832202 /nfs/dbraw/zinc/83/22/02/383832202.db2.gz TXNHTLXKUBRBFN-NSHDSACASA-N 0 1 247.342 3.088 20 0 BGADMN CC(C)(C)C[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647144448 383833281 /nfs/dbraw/zinc/83/32/81/383833281.db2.gz YAOSGXFRMQTMOH-AXFHLTTASA-N 0 1 249.358 3.034 20 0 BGADMN CC(C)(C)C[C@@H]1C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647144449 383831986 /nfs/dbraw/zinc/83/19/86/383831986.db2.gz YAOSGXFRMQTMOH-HBNTYKKESA-N 0 1 249.358 3.034 20 0 BGADMN CCC[C@@H]1CCC[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000647144778 383837007 /nfs/dbraw/zinc/83/70/07/383837007.db2.gz FYJKLGHLGPQVMU-GRYCIOLGSA-N 0 1 249.358 3.178 20 0 BGADMN CCC[C@@H]1CCC[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647144779 383835350 /nfs/dbraw/zinc/83/53/50/383835350.db2.gz FYJKLGHLGPQVMU-IJLUTSLNSA-N 0 1 249.358 3.178 20 0 BGADMN CCC[C@@H]1CCC[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647144780 383835270 /nfs/dbraw/zinc/83/52/70/383835270.db2.gz FYJKLGHLGPQVMU-UTUOFQBUSA-N 0 1 249.358 3.178 20 0 BGADMN CCC[C@@H]1CCC[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647144781 383837025 /nfs/dbraw/zinc/83/70/25/383837025.db2.gz FYJKLGHLGPQVMU-WOPDTQHZSA-N 0 1 249.358 3.178 20 0 BGADMN C[C@@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)C[C@@H]1C ZINC000647144820 383837233 /nfs/dbraw/zinc/83/72/33/383837233.db2.gz GSBBCQSYDTVVMA-NOOOWODRSA-N 0 1 249.358 3.034 20 0 BGADMN C[C@@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)C[C@@H]1C ZINC000647144821 383836413 /nfs/dbraw/zinc/83/64/13/383836413.db2.gz GSBBCQSYDTVVMA-RHYQMDGZSA-N 0 1 249.358 3.034 20 0 BGADMN C[C@@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)C[C@H]1C ZINC000647144822 383835322 /nfs/dbraw/zinc/83/53/22/383835322.db2.gz GSBBCQSYDTVVMA-WISYIIOYSA-N 0 1 249.358 3.034 20 0 BGADMN C[C@@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)C[C@H]1C ZINC000647144823 383835072 /nfs/dbraw/zinc/83/50/72/383835072.db2.gz GSBBCQSYDTVVMA-WYUUTHIRSA-N 0 1 249.358 3.034 20 0 BGADMN CCC(CC)[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647145089 383839949 /nfs/dbraw/zinc/83/99/49/383839949.db2.gz NOLWXBBXUMELDL-GXSJLCMTSA-N 0 1 237.347 3.034 20 0 BGADMN CCC(CC)[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647145090 383838894 /nfs/dbraw/zinc/83/88/94/383838894.db2.gz NOLWXBBXUMELDL-KOLCDFICSA-N 0 1 237.347 3.034 20 0 BGADMN CCC(CC)[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647145091 383840744 /nfs/dbraw/zinc/84/07/44/383840744.db2.gz NOLWXBBXUMELDL-MWLCHTKSSA-N 0 1 237.347 3.034 20 0 BGADMN CCC(CC)[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647145092 383839833 /nfs/dbraw/zinc/83/98/33/383839833.db2.gz NOLWXBBXUMELDL-ONGXEEELSA-N 0 1 237.347 3.034 20 0 BGADMN CCC[C@@H](c1nc([C@H]2CCCN2)no1)C(C)C ZINC000647145476 398087079 /nfs/dbraw/zinc/08/70/79/398087079.db2.gz WTCCGPGPBWYCNI-GHMZBOCLSA-N 0 1 237.347 3.034 20 0 BGADMN CCC[C@@H](c1nc([C@@H]2CCCN2)no1)C(C)C ZINC000647145477 398087199 /nfs/dbraw/zinc/08/71/99/398087199.db2.gz WTCCGPGPBWYCNI-MNOVXSKESA-N 0 1 237.347 3.034 20 0 BGADMN CCC[C@H](c1nc([C@@H]2CCCN2)no1)C(C)C ZINC000647145478 398086888 /nfs/dbraw/zinc/08/68/88/398086888.db2.gz WTCCGPGPBWYCNI-QWRGUYRKSA-N 0 1 237.347 3.034 20 0 BGADMN CCC[C@H](c1nc([C@H]2CCCN2)no1)C(C)C ZINC000647145479 398087223 /nfs/dbraw/zinc/08/72/23/398087223.db2.gz WTCCGPGPBWYCNI-WDEREUQCSA-N 0 1 237.347 3.034 20 0 BGADMN CC[C@@H]1CCCC[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000647145929 383846591 /nfs/dbraw/zinc/84/65/91/383846591.db2.gz IVWXBKRJJBECHK-GRYCIOLGSA-N 0 1 249.358 3.178 20 0 BGADMN CC[C@@H]1CCCC[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647145930 383846510 /nfs/dbraw/zinc/84/65/10/383846510.db2.gz IVWXBKRJJBECHK-IJLUTSLNSA-N 0 1 249.358 3.178 20 0 BGADMN CC[C@@H]1CCCC[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647145931 383848198 /nfs/dbraw/zinc/84/81/98/383848198.db2.gz IVWXBKRJJBECHK-UTUOFQBUSA-N 0 1 249.358 3.178 20 0 BGADMN CC[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647145932 383848262 /nfs/dbraw/zinc/84/82/62/383848262.db2.gz IVWXBKRJJBECHK-WOPDTQHZSA-N 0 1 249.358 3.178 20 0 BGADMN C[C@H](CC(C)(C)C)c1nc([C@H]2CCCN2)no1 ZINC000647146065 383848241 /nfs/dbraw/zinc/84/82/41/383848241.db2.gz MHDQDQSENSMUJH-NXEZZACHSA-N 0 1 237.347 3.034 20 0 BGADMN C[C@@H](CC(C)(C)C)c1nc([C@@H]2CCCN2)no1 ZINC000647146066 383847997 /nfs/dbraw/zinc/84/79/97/383847997.db2.gz MHDQDQSENSMUJH-UWVGGRQHSA-N 0 1 237.347 3.034 20 0 BGADMN C[C@@H](CC(C)(C)C)c1nc([C@H]2CCCN2)no1 ZINC000647146067 383848526 /nfs/dbraw/zinc/84/85/26/383848526.db2.gz MHDQDQSENSMUJH-VHSXEESVSA-N 0 1 237.347 3.034 20 0 BGADMN C[C@H](CC(C)(C)C)c1nc([C@@H]2CCCN2)no1 ZINC000647146068 383848073 /nfs/dbraw/zinc/84/80/73/383848073.db2.gz MHDQDQSENSMUJH-ZJUUUORDSA-N 0 1 237.347 3.034 20 0 BGADMN CCCC(=Cc1nc([C@H]2CCCN2)no1)CCC ZINC000647146747 383871773 /nfs/dbraw/zinc/87/17/73/383871773.db2.gz AZRZYMQELJITAJ-GFCCVEGCSA-N 0 1 249.358 3.478 20 0 BGADMN CCCC(=Cc1nc([C@@H]2CCCN2)no1)CCC ZINC000647146748 383869863 /nfs/dbraw/zinc/86/98/63/383869863.db2.gz AZRZYMQELJITAJ-LBPRGKRZSA-N 0 1 249.358 3.478 20 0 BGADMN C[C@H]1CC(c2nc([C@H]3CCCN3)no2)C[C@H](C)C1 ZINC000647147055 383878729 /nfs/dbraw/zinc/87/87/29/383878729.db2.gz JEUXLQOHBUJRSR-CKYFFXLPSA-N 0 1 249.358 3.034 20 0 BGADMN C[C@H]1CC(c2nc([C@@H]3CCCN3)no2)C[C@H](C)C1 ZINC000647147056 383877343 /nfs/dbraw/zinc/87/73/43/383877343.db2.gz JEUXLQOHBUJRSR-FOGDFJRCSA-N 0 1 249.358 3.034 20 0 BGADMN C[C@H]1C[C@H](c2nc([C@H]3CCCN3)no2)C[C@@H](C)C1 ZINC000647147057 383875984 /nfs/dbraw/zinc/87/59/84/383875984.db2.gz JEUXLQOHBUJRSR-NOOOWODRSA-N 0 1 249.358 3.034 20 0 BGADMN C[C@H]1C[C@H](c2nc([C@@H]3CCCN3)no2)C[C@@H](C)C1 ZINC000647147058 383878170 /nfs/dbraw/zinc/87/81/70/383878170.db2.gz JEUXLQOHBUJRSR-QCNOEVLYSA-N 0 1 249.358 3.034 20 0 BGADMN CC1(C)CCC[C@@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000647147293 383879975 /nfs/dbraw/zinc/87/99/75/383879975.db2.gz OUHNCTXKPDFNIM-GHMZBOCLSA-N 0 1 249.358 3.178 20 0 BGADMN CC1(C)CCC[C@@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000647147294 383881530 /nfs/dbraw/zinc/88/15/30/383881530.db2.gz OUHNCTXKPDFNIM-MNOVXSKESA-N 0 1 249.358 3.178 20 0 BGADMN CC1(C)CCC[C@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000647147295 383880704 /nfs/dbraw/zinc/88/07/04/383880704.db2.gz OUHNCTXKPDFNIM-QWRGUYRKSA-N 0 1 249.358 3.178 20 0 BGADMN CC1(C)CCC[C@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000647147296 383880680 /nfs/dbraw/zinc/88/06/80/383880680.db2.gz OUHNCTXKPDFNIM-WDEREUQCSA-N 0 1 249.358 3.178 20 0 BGADMN CC1(c2nc([C@H]3CCCN3)no2)CCCCCC1 ZINC000647147422 383881457 /nfs/dbraw/zinc/88/14/57/383881457.db2.gz RCVFMUILXFLQHK-LLVKDONJSA-N 0 1 249.358 3.106 20 0 BGADMN CC1(c2nc([C@@H]3CCCN3)no2)CCCCCC1 ZINC000647147423 383881441 /nfs/dbraw/zinc/88/14/41/383881441.db2.gz RCVFMUILXFLQHK-NSHDSACASA-N 0 1 249.358 3.106 20 0 BGADMN CC1(Cc2nc([C@H]3CCCN3)no2)CCCCC1 ZINC000647147452 383881993 /nfs/dbraw/zinc/88/19/93/383881993.db2.gz RPNNCOMJXSWIBZ-LLVKDONJSA-N 0 1 249.358 3.007 20 0 BGADMN CC1(Cc2nc([C@@H]3CCCN3)no2)CCCCC1 ZINC000647147453 383881749 /nfs/dbraw/zinc/88/17/49/383881749.db2.gz RPNNCOMJXSWIBZ-NSHDSACASA-N 0 1 249.358 3.007 20 0 BGADMN CC1(C)CCC(c2nc([C@H]3CCCN3)no2)CC1 ZINC000647148436 383893363 /nfs/dbraw/zinc/89/33/63/383893363.db2.gz NUNOSNIZZLSXIP-LLVKDONJSA-N 0 1 249.358 3.178 20 0 BGADMN CC1(C)CCC(c2nc([C@@H]3CCCN3)no2)CC1 ZINC000647148437 383891415 /nfs/dbraw/zinc/89/14/15/383891415.db2.gz NUNOSNIZZLSXIP-NSHDSACASA-N 0 1 249.358 3.178 20 0 BGADMN C[C@@H](CC1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149352 383913093 /nfs/dbraw/zinc/91/30/93/383913093.db2.gz KJBIBTYVEAZRBV-CMPLNLGQSA-N 0 1 249.358 3.178 20 0 BGADMN C[C@@H](CC1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149353 383913323 /nfs/dbraw/zinc/91/33/23/383913323.db2.gz KJBIBTYVEAZRBV-JQWIXIFHSA-N 0 1 249.358 3.178 20 0 BGADMN C[C@H](CC1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149354 383911733 /nfs/dbraw/zinc/91/17/33/383911733.db2.gz KJBIBTYVEAZRBV-PWSUYJOCSA-N 0 1 249.358 3.178 20 0 BGADMN C[C@H](CC1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149355 383912786 /nfs/dbraw/zinc/91/27/86/383912786.db2.gz KJBIBTYVEAZRBV-ZYHUDNBSSA-N 0 1 249.358 3.178 20 0 BGADMN C(Cc1nc([C@H]2CCCN2)no1)CC1CCCC1 ZINC000647149616 383917903 /nfs/dbraw/zinc/91/79/03/383917903.db2.gz ONNSYMWAPWJMCE-GFCCVEGCSA-N 0 1 249.358 3.007 20 0 BGADMN C(Cc1nc([C@@H]2CCCN2)no1)CC1CCCC1 ZINC000647149619 383917983 /nfs/dbraw/zinc/91/79/83/383917983.db2.gz ONNSYMWAPWJMCE-LBPRGKRZSA-N 0 1 249.358 3.007 20 0 BGADMN C(=C/C1CCCCC1)\c1nc([C@@H]2CCCN2)no1 ZINC000647150073 383921171 /nfs/dbraw/zinc/92/11/71/383921171.db2.gz ZFSOPGAVRIALHR-BCPZQOPPSA-N 0 1 247.342 3.088 20 0 BGADMN C(=C/C1CCCCC1)\c1nc([C@H]2CCCN2)no1 ZINC000647150074 383920639 /nfs/dbraw/zinc/92/06/39/383920639.db2.gz ZFSOPGAVRIALHR-IDVQTMNDSA-N 0 1 247.342 3.088 20 0 BGADMN C(=C\C1CCCCC1)\c1nc([C@H]2CCCN2)no1 ZINC000647150075 383920672 /nfs/dbraw/zinc/92/06/72/383920672.db2.gz ZFSOPGAVRIALHR-JLVNDZCYSA-N 0 1 247.342 3.088 20 0 BGADMN C(=C\C1CCCCC1)\c1nc([C@@H]2CCCN2)no1 ZINC000647150076 383920067 /nfs/dbraw/zinc/92/00/67/383920067.db2.gz ZFSOPGAVRIALHR-LAUAKBEESA-N 0 1 247.342 3.088 20 0 BGADMN Cc1cc(OCC2=CCCC2)cc(C)n1 ZINC000647158142 384075728 /nfs/dbraw/zinc/07/57/28/384075728.db2.gz PRUZHBPMYJASOT-UHFFFAOYSA-N 0 1 203.285 3.188 20 0 BGADMN FC1(F)CCC[C@H]1NC1CCC(F)(F)CC1 ZINC000647211399 383915340 /nfs/dbraw/zinc/91/53/40/383915340.db2.gz QGDWDLWXXUNLTC-SECBINFHSA-N 0 1 239.256 3.342 20 0 BGADMN FC1(F)CCC[C@@H]1NC1CCC(F)(F)CC1 ZINC000647211400 383914310 /nfs/dbraw/zinc/91/43/10/383914310.db2.gz QGDWDLWXXUNLTC-VIFPVBQESA-N 0 1 239.256 3.342 20 0 BGADMN Clc1ccccc1C1(NCc2cc[nH]c2)CC1 ZINC000647224220 384251980 /nfs/dbraw/zinc/25/19/80/384251980.db2.gz ZIDLUKDFSHFYBU-UHFFFAOYSA-N 0 1 246.741 3.447 20 0 BGADMN Cc1ccccc1C1(NCc2cncs2)CC1 ZINC000647224358 384271942 /nfs/dbraw/zinc/27/19/42/384271942.db2.gz COYJRTLDLGTTRK-UHFFFAOYSA-N 0 1 244.363 3.230 20 0 BGADMN Cc1ccccc1C1(NCc2ccco2)CC1 ZINC000647224776 384277471 /nfs/dbraw/zinc/27/74/71/384277471.db2.gz YTOYWKKBYCVNRN-UHFFFAOYSA-N 0 1 227.307 3.367 20 0 BGADMN Fc1ccccc1C1(NCc2cc[nH]c2)CCC1 ZINC000647237305 384853385 /nfs/dbraw/zinc/85/33/85/384853385.db2.gz PZLGPIXEXFNFRJ-UHFFFAOYSA-N 0 1 244.313 3.323 20 0 BGADMN CC[C@@H](NC1CCC(F)(F)CC1)C(F)F ZINC000647305273 385182893 /nfs/dbraw/zinc/18/28/93/385182893.db2.gz BZTHKCASUXEPKS-MRVPVSSYSA-N 0 1 227.245 3.198 20 0 BGADMN CC[C@H](NC1CCC(F)(F)CC1)C(F)F ZINC000647305274 385183644 /nfs/dbraw/zinc/18/36/44/385183644.db2.gz BZTHKCASUXEPKS-QMMMGPOBSA-N 0 1 227.245 3.198 20 0 BGADMN Cc1ccccc1C1(N[C@H](C)c2cn[nH]c2)CC1 ZINC000647316369 384217672 /nfs/dbraw/zinc/21/76/72/384217672.db2.gz BUWVOFDEVBFSJW-GFCCVEGCSA-N 0 1 241.338 3.058 20 0 BGADMN Cc1ccccc1C1(N[C@@H](C)c2cn[nH]c2)CC1 ZINC000647316370 384216012 /nfs/dbraw/zinc/21/60/12/384216012.db2.gz BUWVOFDEVBFSJW-LBPRGKRZSA-N 0 1 241.338 3.058 20 0 BGADMN Cc1cc(CN2CC3(CC(F)C3)C2)c(C)s1 ZINC000647929819 386127716 /nfs/dbraw/zinc/12/77/16/386127716.db2.gz 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COc1cccc2c1CN([C@@H]1C=CCCC1)CC2 ZINC000650107727 397927803 /nfs/dbraw/zinc/92/78/03/397927803.db2.gz BBOLRYGBSOGWTJ-CQSZACIVSA-N 0 1 243.350 3.162 20 0 BGADMN CCCC(C)(C)c1nc([C@@H](N)CC(C)C)no1 ZINC000650227677 397997467 /nfs/dbraw/zinc/99/74/67/397997467.db2.gz IRCAHQZLGPDFIM-JTQLQIEISA-N 0 1 239.363 3.193 20 0 BGADMN CCCC(C)(C)c1nc([C@H](N)CC(C)C)no1 ZINC000650227678 397997330 /nfs/dbraw/zinc/99/73/30/397997330.db2.gz IRCAHQZLGPDFIM-SNVBAGLBSA-N 0 1 239.363 3.193 20 0 BGADMN CCn1ccnc1NCc1cccc2c1CCC2 ZINC000650239937 398003296 /nfs/dbraw/zinc/00/32/96/398003296.db2.gz ISASGBAMRSPPBX-UHFFFAOYSA-N 0 1 241.338 3.004 20 0 BGADMN C[C@H](NCC(F)F)[C@H]1CCC[C@H](C)C1 ZINC000650320518 398108437 /nfs/dbraw/zinc/10/84/37/398108437.db2.gz KCCLWRXQFDNQEY-GUBZILKMSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H](NCC(F)F)[C@@H]1CCC[C@H](C)C1 ZINC000650320519 398108361 /nfs/dbraw/zinc/10/83/61/398108361.db2.gz KCCLWRXQFDNQEY-LPEHRKFASA-N 0 1 205.292 3.056 20 0 BGADMN CCC(C)(C)CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650505981 398274202 /nfs/dbraw/zinc/27/42/02/398274202.db2.gz YEKGOGMPXFFYJD-GFCCVEGCSA-N 0 1 241.375 3.142 20 0 BGADMN CCC(C)(C)CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650505982 398274532 /nfs/dbraw/zinc/27/45/32/398274532.db2.gz YEKGOGMPXFFYJD-LBPRGKRZSA-N 0 1 241.375 3.142 20 0 BGADMN CCCC[C@@H](CC)CC[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000650806291 410514952 /nfs/dbraw/zinc/51/49/52/410514952.db2.gz WDHPKXYHIJTLQO-CHWSQXEVSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@@H](CC)CC[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000650806292 410514769 /nfs/dbraw/zinc/51/47/69/410514769.db2.gz WDHPKXYHIJTLQO-OLZOCXBDSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@H](CC)CC[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000650806293 410514921 /nfs/dbraw/zinc/51/49/21/410514921.db2.gz WDHPKXYHIJTLQO-QWHCGFSZSA-N 0 1 243.391 3.388 20 0 BGADMN CCCC[C@H](CC)CC[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000650806294 410514981 /nfs/dbraw/zinc/51/49/81/410514981.db2.gz WDHPKXYHIJTLQO-STQMWFEESA-N 0 1 243.391 3.388 20 0 BGADMN CCCC(C)(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000651197527 410856865 /nfs/dbraw/zinc/85/68/65/410856865.db2.gz OEQFIMIEJDIQPA-UHFFFAOYSA-N 0 1 245.326 3.328 20 0 BGADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccsc1 ZINC000651232985 410874186 /nfs/dbraw/zinc/87/41/86/410874186.db2.gz XXUJFKMAJGHCTL-GFCCVEGCSA-N 0 1 235.356 3.021 20 0 BGADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccsc1 ZINC000651232986 410874125 /nfs/dbraw/zinc/87/41/25/410874125.db2.gz XXUJFKMAJGHCTL-LBPRGKRZSA-N 0 1 235.356 3.021 20 0 BGADMN CC[C@@H](NCc1cc(C)ncn1)c1ccsc1 ZINC000651280069 410898574 /nfs/dbraw/zinc/89/85/74/410898574.db2.gz CTDZOVOBUXHEKX-CYBMUJFWSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1cc(C)ncn1)c1ccsc1 ZINC000651280070 410897888 /nfs/dbraw/zinc/89/78/88/410897888.db2.gz CTDZOVOBUXHEKX-ZDUSSCGKSA-N 0 1 247.367 3.087 20 0 BGADMN Cc1nccc(N2CCCC(F)(F)C2)c1Cl ZINC000651385145 410969097 /nfs/dbraw/zinc/96/90/97/410969097.db2.gz UZZPHIQRVRXTMT-UHFFFAOYSA-N 0 1 246.688 3.279 20 0 BGADMN FC1(F)CCCN(c2ccnc3ccccc32)C1 ZINC000651385252 410968968 /nfs/dbraw/zinc/96/89/68/410968968.db2.gz YYOBJWIYSVLZOT-UHFFFAOYSA-N 0 1 248.276 3.470 20 0 BGADMN Cc1ncc([C@H](C)NCc2ccnc(C)c2)s1 ZINC000651388372 410971621 /nfs/dbraw/zinc/97/16/21/410971621.db2.gz ROLWPJOACDIPMB-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ncc([C@@H](C)NCc2ccnc(C)c2)s1 ZINC000651388373 410970215 /nfs/dbraw/zinc/97/02/15/410970215.db2.gz ROLWPJOACDIPMB-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ncc([C@H](C)NCc2cnccc2C)s1 ZINC000651438776 411029089 /nfs/dbraw/zinc/02/90/89/411029089.db2.gz UYDTVMDIEWOUHR-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ncc([C@@H](C)NCc2cnccc2C)s1 ZINC000651438777 411029345 /nfs/dbraw/zinc/02/93/45/411029345.db2.gz UYDTVMDIEWOUHR-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN CC1(CNc2ccc3cnccc3c2)CC1 ZINC000651604426 411129149 /nfs/dbraw/zinc/12/91/49/411129149.db2.gz NSSTVXNMFVDDMR-UHFFFAOYSA-N 0 1 212.296 3.447 20 0 BGADMN CC(C)c1nc(CN2CCCC2)c2ccccn21 ZINC000651605688 411128918 /nfs/dbraw/zinc/12/89/18/411128918.db2.gz PTCLDFLTPOZMCY-UHFFFAOYSA-N 0 1 243.354 3.054 20 0 BGADMN CN(Cc1ccco1)Cc1cccc2c1CCC2 ZINC000651608418 411129022 /nfs/dbraw/zinc/12/90/22/411129022.db2.gz YCIQQAPUURZCNH-UHFFFAOYSA-N 0 1 241.334 3.400 20 0 BGADMN CN(Cc1ccoc1)Cc1cccc2c1CCC2 ZINC000651623702 411131903 /nfs/dbraw/zinc/13/19/03/411131903.db2.gz ODNOUQBLOXDSOA-UHFFFAOYSA-N 0 1 241.334 3.400 20 0 BGADMN CN(Cc1ccc[nH]1)Cc1cccc2c1CCC2 ZINC000651648729 487810979 /nfs/dbraw/zinc/81/09/79/487810979.db2.gz GNYZGSSFLBPAKZ-UHFFFAOYSA-N 0 1 240.350 3.135 20 0 BGADMN c1coc(CNCc2cccc3c2CCC3)c1 ZINC000651666481 490129429 /nfs/dbraw/zinc/12/94/29/490129429.db2.gz DMOLYSZYLVGECA-UHFFFAOYSA-N 0 1 227.307 3.058 20 0 BGADMN CCc1cccc(CNCc2ccoc2C)c1 ZINC000651684911 411135641 /nfs/dbraw/zinc/13/56/41/411135641.db2.gz BSBWXPAEABIFEL-UHFFFAOYSA-N 0 1 229.323 3.440 20 0 BGADMN c1cc(CNCc2cccc3c2CCC3)co1 ZINC000651685183 411136019 /nfs/dbraw/zinc/13/60/19/411136019.db2.gz MWOLNQRSLPNROE-UHFFFAOYSA-N 0 1 227.307 3.058 20 0 BGADMN 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/nfs/dbraw/zinc/14/51/92/411145192.db2.gz SHNULWGXORKJFB-UHFFFAOYSA-N 0 1 241.334 3.367 20 0 BGADMN CC[C@]1(C)CCC[C@H]1NCC(C)(F)F ZINC000651816748 411145016 /nfs/dbraw/zinc/14/50/16/411145016.db2.gz HLLUINJOGBCJDP-NXEZZACHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@@]1(C)CCC[C@@H]1NCC(C)(F)F ZINC000651816749 411145109 /nfs/dbraw/zinc/14/51/09/411145109.db2.gz HLLUINJOGBCJDP-UWVGGRQHSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@]1(C)CCC[C@@H]1NCC(C)(F)F ZINC000651816750 411145197 /nfs/dbraw/zinc/14/51/97/411145197.db2.gz HLLUINJOGBCJDP-VHSXEESVSA-N 0 1 205.292 3.200 20 0 BGADMN CC[C@@]1(C)CCC[C@H]1NCC(C)(F)F ZINC000651816751 411145152 /nfs/dbraw/zinc/14/51/52/411145152.db2.gz HLLUINJOGBCJDP-ZJUUUORDSA-N 0 1 205.292 3.200 20 0 BGADMN CCC1(C)CN(Cc2cc3cnccc3o2)C1 ZINC000651828320 411146466 /nfs/dbraw/zinc/14/64/66/411146466.db2.gz BTXUFNDGTNIWJJ-UHFFFAOYSA-N 0 1 230.311 3.060 20 0 BGADMN CCC1(CC)CN(Cc2cc3cnccc3o2)C1 ZINC000651828593 411146571 /nfs/dbraw/zinc/14/65/71/411146571.db2.gz UCHUHHZHYMXSOU-UHFFFAOYSA-N 0 1 244.338 3.450 20 0 BGADMN F[C@@H]1CCCC[C@H]1NCc1cc2cnccc2o1 ZINC000651831362 411146873 /nfs/dbraw/zinc/14/68/73/411146873.db2.gz OJWYMIJOIRSXSH-CHWSQXEVSA-N 0 1 248.301 3.198 20 0 BGADMN COc1cccc(CN2CCC23CCCC3)c1F ZINC000651872772 411148361 /nfs/dbraw/zinc/14/83/61/411148361.db2.gz AYFUALSDQYYDNE-UHFFFAOYSA-N 0 1 249.329 3.353 20 0 BGADMN COc1ccc(F)c(CN2CCC23CCCC3)c1 ZINC000651872837 411148539 /nfs/dbraw/zinc/14/85/39/411148539.db2.gz DTGVQADMZDQLPO-UHFFFAOYSA-N 0 1 249.329 3.353 20 0 BGADMN CC(C)Cn1nccc1CN1CCC12CCCC2 ZINC000651872858 411148244 /nfs/dbraw/zinc/14/82/44/411148244.db2.gz FKBNDKFCDNOZPD-UHFFFAOYSA-N 0 1 247.386 3.058 20 0 BGADMN CCc1cnc(CN2CCC23CCCC3)s1 ZINC000651873494 411148406 /nfs/dbraw/zinc/14/84/06/411148406.db2.gz JTHAGIBEYROBMS-UHFFFAOYSA-N 0 1 236.384 3.224 20 0 BGADMN C(c1nc2c(s1)CCC2)N1CCC12CCCC2 ZINC000651873714 411148565 /nfs/dbraw/zinc/14/85/65/411148565.db2.gz SSWYYOABMMXYGF-UHFFFAOYSA-N 0 1 248.395 3.150 20 0 BGADMN Clc1ccc(CN2CCC23CCCC3)o1 ZINC000651874060 411147677 /nfs/dbraw/zinc/14/76/77/411147677.db2.gz IVSAKULJIVYADC-UHFFFAOYSA-N 0 1 225.719 3.452 20 0 BGADMN Cc1cnc(CN[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000651911174 487858402 /nfs/dbraw/zinc/85/84/02/487858402.db2.gz FYWSEELTNHFVQD-WDEREUQCSA-N 0 1 238.400 3.366 20 0 BGADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1nccs1 ZINC000651911478 490153709 /nfs/dbraw/zinc/15/37/09/490153709.db2.gz AKDRQOUNHTVGTO-VHSXEESVSA-N 0 1 224.373 3.057 20 0 BGADMN CC[C@@H]1CN(Cc2ccsc2)[C@H](CC)CO1 ZINC000651911872 491078542 /nfs/dbraw/zinc/07/85/42/491078542.db2.gz BEOZWNCKCHRWDE-CHWSQXEVSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccsc1 ZINC000651911873 491078469 /nfs/dbraw/zinc/07/84/69/491078469.db2.gz BEOZWNCKCHRWDE-OLZOCXBDSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1CN(Cc2ccsc2)[C@@H](CC)CO1 ZINC000651911874 491078551 /nfs/dbraw/zinc/07/85/51/491078551.db2.gz BEOZWNCKCHRWDE-QWHCGFSZSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@H]1CN(Cc2ccsc2)[C@@H](CC)CO1 ZINC000651911875 491078586 /nfs/dbraw/zinc/07/85/86/491078586.db2.gz BEOZWNCKCHRWDE-STQMWFEESA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@@H]1COC(C)(C)CN1Cc1ccsc1 ZINC000651911896 491078574 /nfs/dbraw/zinc/07/85/74/491078574.db2.gz BRCBKFZCDODINI-GFCCVEGCSA-N 0 1 239.384 3.138 20 0 BGADMN CC[C@H]1COC(C)(C)CN1Cc1ccsc1 ZINC000651911897 491078497 /nfs/dbraw/zinc/07/84/97/491078497.db2.gz BRCBKFZCDODINI-LBPRGKRZSA-N 0 1 239.384 3.138 20 0 BGADMN Cc1nc(CN[C@@H]2C[C@H]2CC(C)(C)C)cs1 ZINC000651912128 487860267 /nfs/dbraw/zinc/86/02/67/487860267.db2.gz MNURHYIRIRAIGW-CMPLNLGQSA-N 0 1 238.400 3.366 20 0 BGADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1cscn1 ZINC000651912460 411150319 /nfs/dbraw/zinc/15/03/19/411150319.db2.gz YKUVELGTRRXNCC-GXSJLCMTSA-N 0 1 224.373 3.057 20 0 BGADMN CC[C@@H]1CN(Cc2ccc(C)s2)[C@@H](C)CO1 ZINC000651930823 487869819 /nfs/dbraw/zinc/86/98/19/487869819.db2.gz DGJRQKNCQXFHJO-CMPLNLGQSA-N 0 1 239.384 3.056 20 0 BGADMN CC[C@H]1CN(Cc2ccc(C)s2)[C@@H](C)CO1 ZINC000651930824 487869321 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CCc1nnc(SCCCC2CCC2)[nH]1 ZINC000657239651 411427892 /nfs/dbraw/zinc/42/78/92/411427892.db2.gz RGBKNHCHDPILAY-UHFFFAOYSA-N 0 1 225.361 3.040 20 0 BGADMN C(Sc1n[nH]c(C2CC2)n1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000657242140 411428914 /nfs/dbraw/zinc/42/89/14/411428914.db2.gz AHKKDIDEOMPYFH-GDPRMGEGSA-N 0 1 249.383 3.210 20 0 BGADMN C(Sc1nc(C2CC2)n[nH]1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000657242140 411428911 /nfs/dbraw/zinc/42/89/11/411428911.db2.gz AHKKDIDEOMPYFH-GDPRMGEGSA-N 0 1 249.383 3.210 20 0 BGADMN C(Sc1n[nH]c(C2CC2)n1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000657242141 411428709 /nfs/dbraw/zinc/42/87/09/411428709.db2.gz AHKKDIDEOMPYFH-IEBDPFPHSA-N 0 1 249.383 3.210 20 0 BGADMN C(Sc1nc(C2CC2)n[nH]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000657242141 411428707 /nfs/dbraw/zinc/42/87/07/411428707.db2.gz AHKKDIDEOMPYFH-IEBDPFPHSA-N 0 1 249.383 3.210 20 0 BGADMN CC(C)=CCCSc1n[nH]c(C2CC2)n1 ZINC000657242384 411424887 /nfs/dbraw/zinc/42/48/87/411424887.db2.gz FAVBVHSWOQFRSU-UHFFFAOYSA-N 0 1 223.345 3.131 20 0 BGADMN CC(C)=CCCSc1nc(C2CC2)n[nH]1 ZINC000657242384 411424885 /nfs/dbraw/zinc/42/48/85/411424885.db2.gz FAVBVHSWOQFRSU-UHFFFAOYSA-N 0 1 223.345 3.131 20 0 BGADMN CC(C)(C)c1nc(SCCC2CCC2)n[nH]1 ZINC000657242463 411424773 /nfs/dbraw/zinc/42/47/73/411424773.db2.gz GBOVZXSUTGVKHA-UHFFFAOYSA-N 0 1 239.388 3.385 20 0 BGADMN CC(C)(C)c1n[nH]c(SCCC2CCC2)n1 ZINC000657242463 411424771 /nfs/dbraw/zinc/42/47/71/411424771.db2.gz GBOVZXSUTGVKHA-UHFFFAOYSA-N 0 1 239.388 3.385 20 0 BGADMN CC(C)(C)c1nc(SCC2CC=CC2)n[nH]1 ZINC000657242794 411424673 /nfs/dbraw/zinc/42/46/73/411424673.db2.gz KVCGOIOZVFJOLC-UHFFFAOYSA-N 0 1 237.372 3.161 20 0 BGADMN CC(C)(C)c1n[nH]c(SCC2CC=CC2)n1 ZINC000657242794 411424670 /nfs/dbraw/zinc/42/46/70/411424670.db2.gz KVCGOIOZVFJOLC-UHFFFAOYSA-N 0 1 237.372 3.161 20 0 BGADMN C(CSc1n[nH]c(C2CC2)n1)CC1CCC1 ZINC000657242936 411424622 /nfs/dbraw/zinc/42/46/22/411424622.db2.gz NASFOTYFZUOXBH-UHFFFAOYSA-N 0 1 237.372 3.355 20 0 BGADMN C(CSc1nc(C2CC2)n[nH]1)CC1CCC1 ZINC000657242936 411424621 /nfs/dbraw/zinc/42/46/21/411424621.db2.gz NASFOTYFZUOXBH-UHFFFAOYSA-N 0 1 237.372 3.355 20 0 BGADMN CCC(CC)CSc1n[nH]c(C2CC2)n1 ZINC000657243244 411424873 /nfs/dbraw/zinc/42/48/73/411424873.db2.gz QTBGCDDEAGUDGU-UHFFFAOYSA-N 0 1 225.361 3.210 20 0 BGADMN CCC(CC)CSc1nc(C2CC2)n[nH]1 ZINC000657243244 411424871 /nfs/dbraw/zinc/42/48/71/411424871.db2.gz QTBGCDDEAGUDGU-UHFFFAOYSA-N 0 1 225.361 3.210 20 0 BGADMN CCc1nc([C@@H](C)Sc2cccs2)n[nH]1 ZINC000657244208 411424483 /nfs/dbraw/zinc/42/44/83/411424483.db2.gz MWMVUEJBHFFYRN-SSDOTTSWSA-N 0 1 239.369 3.282 20 0 BGADMN CCc1nc([C@H](C)Sc2cccs2)n[nH]1 ZINC000657244210 411424579 /nfs/dbraw/zinc/42/45/79/411424579.db2.gz MWMVUEJBHFFYRN-ZETCQYMHSA-N 0 1 239.369 3.282 20 0 BGADMN CC(C)(C)c1cccc(CSc2cn[nH]n2)c1 ZINC000657251759 411434715 /nfs/dbraw/zinc/43/47/15/411434715.db2.gz LOLVDVKBNGFOER-UHFFFAOYSA-N 0 1 247.367 3.395 20 0 BGADMN c1n[nH]nc1SCC[C@H]1CCc2ccccc21 ZINC000657252021 411435152 /nfs/dbraw/zinc/43/51/52/411435152.db2.gz PLLVQSVYTFJNPB-LLVKDONJSA-N 0 1 245.351 3.017 20 0 BGADMN c1n[nH]nc1SCC[C@@H]1CCc2ccccc21 ZINC000657252023 411434819 /nfs/dbraw/zinc/43/48/19/411434819.db2.gz PLLVQSVYTFJNPB-NSHDSACASA-N 0 1 245.351 3.017 20 0 BGADMN CCc1nc([C@@H](C)Sc2ccoc2C)n[nH]1 ZINC000657254791 411435586 /nfs/dbraw/zinc/43/55/86/411435586.db2.gz IMCNZFOEDARRRB-MRVPVSSYSA-N 0 1 237.328 3.122 20 0 BGADMN CCc1nc([C@H](C)Sc2ccoc2C)n[nH]1 ZINC000657254793 411435633 /nfs/dbraw/zinc/43/56/33/411435633.db2.gz IMCNZFOEDARRRB-QMMMGPOBSA-N 0 1 237.328 3.122 20 0 BGADMN Cc1nc2c(n1CC1CC=CC1)CCCC2 ZINC000657261562 411433616 /nfs/dbraw/zinc/43/36/16/411433616.db2.gz FMEDMQMDJZUEGK-UHFFFAOYSA-N 0 1 216.328 3.037 20 0 BGADMN CC(C)=CCCn1c(C)nc2c1CCCC2 ZINC000657261581 411433914 /nfs/dbraw/zinc/43/39/14/411433914.db2.gz IGNBUEHZOJRUOT-UHFFFAOYSA-N 0 1 218.344 3.427 20 0 BGADMN CCOc1ccc(CNCc2ccco2)c(C)c1 ZINC000657287793 411446950 /nfs/dbraw/zinc/44/69/50/411446950.db2.gz WYCAJPXFYGVMFE-UHFFFAOYSA-N 0 1 245.322 3.277 20 0 BGADMN CCC[C@H](NCc1nc(C)c[nH]1)c1ccccc1 ZINC000657291787 411452734 /nfs/dbraw/zinc/45/27/34/411452734.db2.gz CMUPLKZPVVWUDU-AWEZNQCLSA-N 0 1 243.354 3.349 20 0 BGADMN CCC[C@@H](NCc1nc(C)c[nH]1)c1ccccc1 ZINC000657291789 411453261 /nfs/dbraw/zinc/45/32/61/411453261.db2.gz CMUPLKZPVVWUDU-CQSZACIVSA-N 0 1 243.354 3.349 20 0 BGADMN CC[C@H](NCc1nc(C)c[nH]1)c1ccc(C)cc1 ZINC000657291819 411453510 /nfs/dbraw/zinc/45/35/10/411453510.db2.gz WWNOXEGHXZAJPC-AWEZNQCLSA-N 0 1 243.354 3.267 20 0 BGADMN CC[C@@H](NCc1nc(C)c[nH]1)c1ccc(C)cc1 ZINC000657291820 411453672 /nfs/dbraw/zinc/45/36/72/411453672.db2.gz WWNOXEGHXZAJPC-CQSZACIVSA-N 0 1 243.354 3.267 20 0 BGADMN Cc1c[nH]c(CN[C@@H](c2cccs2)C2CC2)n1 ZINC000657295575 411454426 /nfs/dbraw/zinc/45/44/26/411454426.db2.gz UMIOKRMDDJNKOG-CYBMUJFWSA-N 0 1 247.367 3.021 20 0 BGADMN Cc1c[nH]c(CN[C@H](c2cccs2)C2CC2)n1 ZINC000657295576 411454051 /nfs/dbraw/zinc/45/40/51/411454051.db2.gz UMIOKRMDDJNKOG-ZDUSSCGKSA-N 0 1 247.367 3.021 20 0 BGADMN Cc1c[nH]c(CN[C@H](c2ccccc2)C(C)C)n1 ZINC000657299105 411455641 /nfs/dbraw/zinc/45/56/41/411455641.db2.gz ZTDVZMVOFNJZEU-HNNXBMFYSA-N 0 1 243.354 3.205 20 0 BGADMN Cc1c[nH]c(CN[C@@H](c2ccccc2)C(C)C)n1 ZINC000657299106 411455836 /nfs/dbraw/zinc/45/58/36/411455836.db2.gz ZTDVZMVOFNJZEU-OAHLLOKOSA-N 0 1 243.354 3.205 20 0 BGADMN CC[C@@H]1C[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)CO1 ZINC000657319331 411460943 /nfs/dbraw/zinc/46/09/43/411460943.db2.gz WBUKJBBFGOHKPW-CIQGVGRVSA-N 0 1 249.354 3.060 20 0 BGADMN CC[C@@H]1C[C@H](NCc2ccc([C@H]3C[C@H]3C)o2)CO1 ZINC000657319335 411460818 /nfs/dbraw/zinc/46/08/18/411460818.db2.gz WBUKJBBFGOHKPW-CZXHOFHRSA-N 0 1 249.354 3.060 20 0 BGADMN CC[C@@H]1C[C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)CO1 ZINC000657319336 411460188 /nfs/dbraw/zinc/46/01/88/411460188.db2.gz WBUKJBBFGOHKPW-FMSGJZPZSA-N 0 1 249.354 3.060 20 0 BGADMN CC[C@@H]1C[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)CO1 ZINC000657319337 411460334 /nfs/dbraw/zinc/46/03/34/411460334.db2.gz WBUKJBBFGOHKPW-GFQSEFKGSA-N 0 1 249.354 3.060 20 0 BGADMN CCOc1ccc(CNCc2ccoc2)c(C)c1 ZINC000657326620 411466629 /nfs/dbraw/zinc/46/66/29/411466629.db2.gz VOVMYFDWXAAXGY-UHFFFAOYSA-N 0 1 245.322 3.277 20 0 BGADMN CC[C@@H](NCc1nc(C)c(C)[nH]1)c1ccccc1 ZINC000657336162 411472272 /nfs/dbraw/zinc/47/22/72/411472272.db2.gz MZICGVMQRGFKPW-CQSZACIVSA-N 0 1 243.354 3.267 20 0 BGADMN Cc1c[nH]c(CNC(C)(C)c2cccc(C)c2)n1 ZINC000657365156 411481201 /nfs/dbraw/zinc/48/12/01/411481201.db2.gz XFIIWNTZEDQDPO-UHFFFAOYSA-N 0 1 243.354 3.051 20 0 BGADMN CC(C)=CCNCc1ccc(F)c(F)c1F ZINC000657448104 411513646 /nfs/dbraw/zinc/51/36/46/411513646.db2.gz OPSDCSKGESQOJB-UHFFFAOYSA-N 0 1 229.245 3.160 20 0 BGADMN CC(C)=CCNCc1cccc(OC2CC2)c1F ZINC000657448892 411510811 /nfs/dbraw/zinc/51/08/11/411510811.db2.gz XBQNJNNLODRUTO-UHFFFAOYSA-N 0 1 249.329 3.423 20 0 BGADMN FC(F)CNC1CCC(C2CCC2)CC1 ZINC000657464009 411518822 /nfs/dbraw/zinc/51/88/22/411518822.db2.gz IWAYHNLQIMDUQH-UHFFFAOYSA-N 0 1 217.303 3.200 20 0 BGADMN CCc1cccc2cc(CN[C@@H](C)CF)oc21 ZINC000657466123 411519764 /nfs/dbraw/zinc/51/97/64/411519764.db2.gz BFRXZEDSINZTHZ-JTQLQIEISA-N 0 1 235.302 3.443 20 0 BGADMN CCc1cccc2cc(CN[C@H](C)CF)oc21 ZINC000657466124 411519164 /nfs/dbraw/zinc/51/91/64/411519164.db2.gz BFRXZEDSINZTHZ-SNVBAGLBSA-N 0 1 235.302 3.443 20 0 BGADMN Cc1c[nH]c(CNC(C)(C)c2ccccc2C)n1 ZINC000657475056 411522998 /nfs/dbraw/zinc/52/29/98/411522998.db2.gz YYCKVQSRWSZTRQ-UHFFFAOYSA-N 0 1 243.354 3.051 20 0 BGADMN CC(C)n1ccnc1CNCC1=CCCCC1 ZINC000657477997 411526049 /nfs/dbraw/zinc/52/60/49/411526049.db2.gz WEPGCCXRPVUMFB-UHFFFAOYSA-N 0 1 233.359 3.054 20 0 BGADMN CC/C=C\CNCc1cccc(OC2CC2)c1F ZINC000657479114 411528231 /nfs/dbraw/zinc/52/82/31/411528231.db2.gz IMTQGSKBYPMLLV-ARJAWSKDSA-N 0 1 249.329 3.423 20 0 BGADMN CC/C=C/CNCc1cccc(OC2CC2)c1F ZINC000657479115 411528280 /nfs/dbraw/zinc/52/82/80/411528280.db2.gz IMTQGSKBYPMLLV-ONEGZZNKSA-N 0 1 249.329 3.423 20 0 BGADMN CC/C=C\CNCc1ccc(F)c(F)c1F ZINC000657480552 411527774 /nfs/dbraw/zinc/52/77/74/411527774.db2.gz YKNHYHVIROIVLX-ARJAWSKDSA-N 0 1 229.245 3.160 20 0 BGADMN CC/C=C/CNCc1ccc(F)c(F)c1F ZINC000657480553 411527876 /nfs/dbraw/zinc/52/78/76/411527876.db2.gz YKNHYHVIROIVLX-ONEGZZNKSA-N 0 1 229.245 3.160 20 0 BGADMN CC[C@H]1C[C@@H](Nc2ccc3cnccc3c2)CO1 ZINC000657486836 411531284 /nfs/dbraw/zinc/53/12/84/411531284.db2.gz CMENKPLLNKJGME-CABCVRRESA-N 0 1 242.322 3.214 20 0 BGADMN CC[C@H]1C[C@H](Nc2ccc3cnccc3c2)CO1 ZINC000657486837 411531148 /nfs/dbraw/zinc/53/11/48/411531148.db2.gz CMENKPLLNKJGME-GJZGRUSLSA-N 0 1 242.322 3.214 20 0 BGADMN CC[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)CO1 ZINC000657486838 411530631 /nfs/dbraw/zinc/53/06/31/411530631.db2.gz CMENKPLLNKJGME-HUUCEWRRSA-N 0 1 242.322 3.214 20 0 BGADMN CC[C@@H]1C[C@H](Nc2ccc3cnccc3c2)CO1 ZINC000657486839 411530849 /nfs/dbraw/zinc/53/08/49/411530849.db2.gz CMENKPLLNKJGME-LSDHHAIUSA-N 0 1 242.322 3.214 20 0 BGADMN CC(C)n1ccnc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000657499680 411536229 /nfs/dbraw/zinc/53/62/29/411536229.db2.gz BNRDIXSWOAZMSN-QWHCGFSZSA-N 0 1 249.402 3.378 20 0 BGADMN CC1(C)C[C@@H](NCc2cscc2Cl)CO1 ZINC000657530814 411544265 /nfs/dbraw/zinc/54/42/65/411544265.db2.gz NDOLORVIVBCNBW-SECBINFHSA-N 0 1 245.775 3.059 20 0 BGADMN CC1(C)C[C@H](NCc2cscc2Cl)CO1 ZINC000657530815 411544222 /nfs/dbraw/zinc/54/42/22/411544222.db2.gz NDOLORVIVBCNBW-VIFPVBQESA-N 0 1 245.775 3.059 20 0 BGADMN c1sc(C2CC2)nc1CN[C@@]12C[C@@H]1CCC2 ZINC000657549168 411546854 /nfs/dbraw/zinc/54/68/54/411546854.db2.gz BSNQJROWGDXBEA-GWCFXTLKSA-N 0 1 234.368 3.053 20 0 BGADMN c1sc(C2CC2)nc1CN[C@]12C[C@H]1CCC2 ZINC000657549306 411546755 /nfs/dbraw/zinc/54/67/55/411546755.db2.gz BSNQJROWGDXBEA-ZWNOBZJWSA-N 0 1 234.368 3.053 20 0 BGADMN [O-]c1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1Cl ZINC000657552995 411548676 /nfs/dbraw/zinc/54/86/76/411548676.db2.gz REKKXBALAQMIAI-GWCFXTLKSA-N 0 1 237.730 3.078 20 0 BGADMN [O-]c1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1Cl ZINC000657553010 411548517 /nfs/dbraw/zinc/54/85/17/411548517.db2.gz REKKXBALAQMIAI-ZWNOBZJWSA-N 0 1 237.730 3.078 20 0 BGADMN CCc1ccc(C)nc1NCc1ccncc1F ZINC000657577356 411553788 /nfs/dbraw/zinc/55/37/88/411553788.db2.gz CYCVOCDTYDRUJI-UHFFFAOYSA-N 0 1 245.301 3.099 20 0 BGADMN CCc1ccc(C)nc1NC[C@H]1CCSC1 ZINC000657577557 411554085 /nfs/dbraw/zinc/55/40/85/411554085.db2.gz DKPPROMVFPVMJQ-LLVKDONJSA-N 0 1 236.384 3.117 20 0 BGADMN CCc1ccc(C)nc1NC[C@@H]1CCSC1 ZINC000657577558 411553936 /nfs/dbraw/zinc/55/39/36/411553936.db2.gz DKPPROMVFPVMJQ-NSHDSACASA-N 0 1 236.384 3.117 20 0 BGADMN CCc1ccc(C)nc1N[C@H](C)COC(C)C ZINC000657577969 411554255 /nfs/dbraw/zinc/55/42/55/411554255.db2.gz HSICWMNGDRTNHA-GFCCVEGCSA-N 0 1 236.359 3.178 20 0 BGADMN CCc1ccc(C)nc1N[C@@H](C)COC(C)C ZINC000657577970 411554089 /nfs/dbraw/zinc/55/40/89/411554089.db2.gz HSICWMNGDRTNHA-LBPRGKRZSA-N 0 1 236.359 3.178 20 0 BGADMN CCc1ccc(C)nc1NCc1cnccc1C ZINC000657577975 411553764 /nfs/dbraw/zinc/55/37/64/411553764.db2.gz HXOXKBZMUIERQX-UHFFFAOYSA-N 0 1 241.338 3.268 20 0 BGADMN CCc1ccc(C)nc1N[C@@H](C)C1CC1 ZINC000657577986 411553725 /nfs/dbraw/zinc/55/37/25/411553725.db2.gz IDHDUCPBWMMLQQ-JTQLQIEISA-N 0 1 204.317 3.163 20 0 BGADMN CCc1ccc(C)nc1N[C@H](C)C1CC1 ZINC000657577987 411553954 /nfs/dbraw/zinc/55/39/54/411553954.db2.gz IDHDUCPBWMMLQQ-SNVBAGLBSA-N 0 1 204.317 3.163 20 0 BGADMN CCc1ccc(C)nc1NCc1cccnc1C ZINC000657578067 411554145 /nfs/dbraw/zinc/55/41/45/411554145.db2.gz JLPPLRYEQBAWDG-UHFFFAOYSA-N 0 1 241.338 3.268 20 0 BGADMN CCc1ccc(C)nc1NCc1ccncc1C ZINC000657578484 411554172 /nfs/dbraw/zinc/55/41/72/411554172.db2.gz LHUGBJKULDIDOF-UHFFFAOYSA-N 0 1 241.338 3.268 20 0 BGADMN CCc1ccc(C)nc1N[C@@H]1CCCSC1 ZINC000657578523 411553740 /nfs/dbraw/zinc/55/37/40/411553740.db2.gz MGSIVUUUFJZJKX-GFCCVEGCSA-N 0 1 236.384 3.260 20 0 BGADMN CCc1ccc(C)nc1N[C@H]1CCCSC1 ZINC000657578527 411554150 /nfs/dbraw/zinc/55/41/50/411554150.db2.gz MGSIVUUUFJZJKX-LBPRGKRZSA-N 0 1 236.384 3.260 20 0 BGADMN CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000657580069 411554244 /nfs/dbraw/zinc/55/42/44/411554244.db2.gz UEWDNKWDJVTXEI-LLVKDONJSA-N 0 1 236.359 3.010 20 0 BGADMN CCC(C)(C)[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000657580072 411553737 /nfs/dbraw/zinc/55/37/37/411553737.db2.gz UEWDNKWDJVTXEI-NSHDSACASA-N 0 1 236.359 3.010 20 0 BGADMN CC[C@@H](C)CCNCc1ncc(Cl)s1 ZINC000657587157 411558160 /nfs/dbraw/zinc/55/81/60/411558160.db2.gz RKNBBJFGMVHQQN-MRVPVSSYSA-N 0 1 232.780 3.322 20 0 BGADMN CC[C@H](C)CCNCc1ncc(Cl)s1 ZINC000657587159 411558071 /nfs/dbraw/zinc/55/80/71/411558071.db2.gz RKNBBJFGMVHQQN-QMMMGPOBSA-N 0 1 232.780 3.322 20 0 BGADMN C[C@@H](N[C@H]1CC[C@@H](C)SC1)c1cscn1 ZINC000657600609 411558543 /nfs/dbraw/zinc/55/85/43/411558543.db2.gz SLRQQPBFRGZLBD-BBBLOLIVSA-N 0 1 242.413 3.078 20 0 BGADMN C[C@H](N[C@@H]1CC[C@@H](C)SC1)c1cscn1 ZINC000657600612 411558586 /nfs/dbraw/zinc/55/85/86/411558586.db2.gz SLRQQPBFRGZLBD-KXUCPTDWSA-N 0 1 242.413 3.078 20 0 BGADMN C[C@@H](N[C@@H]1CC[C@@H](C)SC1)c1cscn1 ZINC000657600614 411558746 /nfs/dbraw/zinc/55/87/46/411558746.db2.gz SLRQQPBFRGZLBD-OPRDCNLKSA-N 0 1 242.413 3.078 20 0 BGADMN C[C@H](N[C@H]1CC[C@@H](C)SC1)c1cscn1 ZINC000657600616 411558513 /nfs/dbraw/zinc/55/85/13/411558513.db2.gz SLRQQPBFRGZLBD-UTLUCORTSA-N 0 1 242.413 3.078 20 0 BGADMN Cc1ccnc(NC[C@H]2CCSC2)c1C1CC1 ZINC000657611636 411563406 /nfs/dbraw/zinc/56/34/06/411563406.db2.gz AMQDEHNVVGPHLU-LLVKDONJSA-N 0 1 248.395 3.432 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCSC2)c1C1CC1 ZINC000657611637 411562966 /nfs/dbraw/zinc/56/29/66/411562966.db2.gz AMQDEHNVVGPHLU-NSHDSACASA-N 0 1 248.395 3.432 20 0 BGADMN Cc1ccnc(N[C@@H](C)C2CC2)c1C1CC1 ZINC000657611815 411563424 /nfs/dbraw/zinc/56/34/24/411563424.db2.gz GNANMNBTNSKTCH-JTQLQIEISA-N 0 1 216.328 3.478 20 0 BGADMN Cc1ccnc(N[C@H](C)C2CC2)c1C1CC1 ZINC000657611817 411563348 /nfs/dbraw/zinc/56/33/48/411563348.db2.gz GNANMNBTNSKTCH-SNVBAGLBSA-N 0 1 216.328 3.478 20 0 BGADMN Cc1ccnc(NCC(C)C)c1C1CC1 ZINC000657611848 411562929 /nfs/dbraw/zinc/56/29/29/411562929.db2.gz GUGDIDFPMLGUMF-UHFFFAOYSA-N 0 1 204.317 3.335 20 0 BGADMN Cc1ccnc(NCC2CC2)c1C1CC1 ZINC000657612152 411562977 /nfs/dbraw/zinc/56/29/77/411562977.db2.gz JWFCZQLBVOCRGA-UHFFFAOYSA-N 0 1 202.301 3.089 20 0 BGADMN Cc1ccnc(NCC2=CCCOC2)c1C1CC1 ZINC000657613019 411563510 /nfs/dbraw/zinc/56/35/10/411563510.db2.gz POGVVLHCJVLNBH-UHFFFAOYSA-N 0 1 244.338 3.026 20 0 BGADMN Cc1ccnc(N[C@H](C)COC(C)C)c1C1CC1 ZINC000657613088 411563521 /nfs/dbraw/zinc/56/35/21/411563521.db2.gz VWMIMFWEMQHFAU-GFCCVEGCSA-N 0 1 248.370 3.493 20 0 BGADMN Cc1ccnc(N[C@@H](C)COC(C)C)c1C1CC1 ZINC000657613090 411563282 /nfs/dbraw/zinc/56/32/82/411563282.db2.gz VWMIMFWEMQHFAU-LBPRGKRZSA-N 0 1 248.370 3.493 20 0 BGADMN CC(C)[C@H](NCc1cn[nH]c1)c1ccccc1F ZINC000657615002 411563823 /nfs/dbraw/zinc/56/38/23/411563823.db2.gz LXKKYWJDXIHZNV-AWEZNQCLSA-N 0 1 247.317 3.036 20 0 BGADMN CC(C)[C@@H](NCc1cn[nH]c1)c1ccccc1F ZINC000657615004 411563655 /nfs/dbraw/zinc/56/36/55/411563655.db2.gz LXKKYWJDXIHZNV-CQSZACIVSA-N 0 1 247.317 3.036 20 0 BGADMN Cc1cc(C)cc(CNCc2ccncc2F)c1 ZINC000657625958 411565536 /nfs/dbraw/zinc/56/55/36/411565536.db2.gz KKEPFGFLLOLJMT-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(CCNCc2cscn2)cc1C ZINC000657626154 411565961 /nfs/dbraw/zinc/56/59/61/411565961.db2.gz OOYFZFACYFOWMD-UHFFFAOYSA-N 0 1 246.379 3.092 20 0 BGADMN CCc1nocc1CNCc1cc(C)cc(C)c1 ZINC000657626290 411565666 /nfs/dbraw/zinc/56/56/66/411565666.db2.gz USLPRLZAXZQGQK-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN CC(C)(F)CCNCc1csc(C2CC2)n1 ZINC000657644871 411568979 /nfs/dbraw/zinc/56/89/79/411568979.db2.gz FUSHOGAOJAPZHQ-UHFFFAOYSA-N 0 1 242.363 3.248 20 0 BGADMN CC(C)(F)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000657645002 411568584 /nfs/dbraw/zinc/56/85/84/411568584.db2.gz IOXVZWAMTPQTLZ-UHFFFAOYSA-N 0 1 245.725 3.273 20 0 BGADMN CC(C)(F)CCNCc1ncc(Cl)s1 ZINC000657645149 411569042 /nfs/dbraw/zinc/56/90/42/411569042.db2.gz MEGZOFJFRHEDHM-UHFFFAOYSA-N 0 1 236.743 3.024 20 0 BGADMN Clc1cnc(CNCCCC2CCC2)s1 ZINC000657665863 411577913 /nfs/dbraw/zinc/57/79/13/411577913.db2.gz IHASFXDNWGGOOB-UHFFFAOYSA-N 0 1 244.791 3.466 20 0 BGADMN C[C@]1(CNCc2c(F)cccc2F)CC1(F)F ZINC000657671237 411574939 /nfs/dbraw/zinc/57/49/39/411574939.db2.gz ZZWFDCUCEDWLMF-LLVKDONJSA-N 0 1 247.235 3.100 20 0 BGADMN C[C@@]1(CNCc2c(F)cccc2F)CC1(F)F ZINC000657671238 411575478 /nfs/dbraw/zinc/57/54/78/411575478.db2.gz ZZWFDCUCEDWLMF-NSHDSACASA-N 0 1 247.235 3.100 20 0 BGADMN Oc1ccc2c(c1)[C@@H](NCc1ccsc1)CC2 ZINC000657690813 411579280 /nfs/dbraw/zinc/57/92/80/411579280.db2.gz BAFCIAVZSOCPMP-AWEZNQCLSA-N 0 1 245.347 3.231 20 0 BGADMN Oc1ccc2c(c1)[C@H](NCc1ccsc1)CC2 ZINC000657690817 411579322 /nfs/dbraw/zinc/57/93/22/411579322.db2.gz BAFCIAVZSOCPMP-CQSZACIVSA-N 0 1 245.347 3.231 20 0 BGADMN Cc1ccoc1CN[C@H]1CCc2ccc(O)cc21 ZINC000657692967 411579699 /nfs/dbraw/zinc/57/96/99/411579699.db2.gz HIMJUNCYSAEMSH-AWEZNQCLSA-N 0 1 243.306 3.071 20 0 BGADMN Cc1ccoc1CN[C@@H]1CCc2ccc(O)cc21 ZINC000657692968 411580141 /nfs/dbraw/zinc/58/01/41/411580141.db2.gz HIMJUNCYSAEMSH-CQSZACIVSA-N 0 1 243.306 3.071 20 0 BGADMN Cc1occc1CN[C@H]1CCc2ccc(O)cc21 ZINC000657693805 411579768 /nfs/dbraw/zinc/57/97/68/411579768.db2.gz PDXKAUSJHCBZEA-HNNXBMFYSA-N 0 1 243.306 3.071 20 0 BGADMN Cc1occc1CN[C@@H]1CCc2ccc(O)cc21 ZINC000657693807 411580254 /nfs/dbraw/zinc/58/02/54/411580254.db2.gz PDXKAUSJHCBZEA-OAHLLOKOSA-N 0 1 243.306 3.071 20 0 BGADMN c1nc(CN[C@@H]2CC[C@@H]2c2ccccc2)cs1 ZINC000657714284 411586588 /nfs/dbraw/zinc/58/65/88/411586588.db2.gz UVJACBMJRFCMBX-ZIAGYGMSSA-N 0 1 244.363 3.179 20 0 BGADMN Fc1cccc(F)c1CNCC1=CCCC1 ZINC000657747959 411592471 /nfs/dbraw/zinc/59/24/71/411592471.db2.gz BIHBOQXGCWKHSB-UHFFFAOYSA-N 0 1 223.266 3.165 20 0 BGADMN Clc1ccc(CNCC2=CCCC2)o1 ZINC000657749488 411591981 /nfs/dbraw/zinc/59/19/81/411591981.db2.gz XAOOZRCKNVDQOS-UHFFFAOYSA-N 0 1 211.692 3.133 20 0 BGADMN [O-]c1cccc(C[NH2+]CC2=CCCC2)c1Cl ZINC000657749727 411592270 /nfs/dbraw/zinc/59/22/70/411592270.db2.gz KMELFMWBCIHXMV-UHFFFAOYSA-N 0 1 237.730 3.246 20 0 BGADMN CC(C)c1cnc(CNCC2=CCCC2)s1 ZINC000657749761 411591956 /nfs/dbraw/zinc/59/19/56/411591956.db2.gz MBPPNXNSYCGBCG-UHFFFAOYSA-N 0 1 236.384 3.466 20 0 BGADMN Fc1cc(F)c(CNCC2=CCCC2)cc1F ZINC000657749823 411592324 /nfs/dbraw/zinc/59/23/24/411592324.db2.gz OLNUDZCYMHDSKO-UHFFFAOYSA-N 0 1 241.256 3.304 20 0 BGADMN c1sc(C2CC2)nc1CNCC1=CCCC1 ZINC000657749859 411592241 /nfs/dbraw/zinc/59/22/41/411592241.db2.gz QWIBDINSZDZKHP-UHFFFAOYSA-N 0 1 234.368 3.220 20 0 BGADMN Fc1ccc(CNCC2=CCCC2)c(F)c1F ZINC000657749912 411592576 /nfs/dbraw/zinc/59/25/76/411592576.db2.gz SXLIDSMQLFNYEO-UHFFFAOYSA-N 0 1 241.256 3.304 20 0 BGADMN C1=C(CNCc2nc3c(s2)CCCC3)CCC1 ZINC000657749936 411592919 /nfs/dbraw/zinc/59/29/19/411592919.db2.gz UMGQACNGGMKABO-UHFFFAOYSA-N 0 1 248.395 3.222 20 0 BGADMN CC1(C)C[C@@]1(C)NCc1csc(C2CC2)n1 ZINC000657761298 411591021 /nfs/dbraw/zinc/59/10/21/411591021.db2.gz ISDLMRDDZPDAAU-CYBMUJFWSA-N 0 1 236.384 3.299 20 0 BGADMN CC1(C)C[C@]1(C)NCc1csc(C2CC2)n1 ZINC000657761299 411590905 /nfs/dbraw/zinc/59/09/05/411590905.db2.gz ISDLMRDDZPDAAU-ZDUSSCGKSA-N 0 1 236.384 3.299 20 0 BGADMN CC1(C)C[C@]1(C)NCc1ncc(Cl)s1 ZINC000657761667 411591756 /nfs/dbraw/zinc/59/17/56/411591756.db2.gz QSFMEAKCGNPQFN-JTQLQIEISA-N 0 1 230.764 3.075 20 0 BGADMN CC1(C)C[C@@]1(C)NCc1ncc(Cl)s1 ZINC000657761668 411591765 /nfs/dbraw/zinc/59/17/65/411591765.db2.gz QSFMEAKCGNPQFN-SNVBAGLBSA-N 0 1 230.764 3.075 20 0 BGADMN CC1(C)C[C@@]1(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000657761939 411591390 /nfs/dbraw/zinc/59/13/90/411591390.db2.gz VQLMTNWNHWCOJT-CYBMUJFWSA-N 0 1 239.746 3.324 20 0 BGADMN CC1(C)C[C@]1(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000657761944 411591827 /nfs/dbraw/zinc/59/18/27/411591827.db2.gz VQLMTNWNHWCOJT-ZDUSSCGKSA-N 0 1 239.746 3.324 20 0 BGADMN CC(C)CC1(NCc2ncc(Cl)s2)CC1 ZINC000657774061 411593577 /nfs/dbraw/zinc/59/35/77/411593577.db2.gz AWZGUTUSQZJTSU-UHFFFAOYSA-N 0 1 244.791 3.465 20 0 BGADMN CCc1nc(CNC2(CC(C)C)CC2)cs1 ZINC000657774729 411594123 /nfs/dbraw/zinc/59/41/23/411594123.db2.gz JTPRRMDFDDZYAU-UHFFFAOYSA-N 0 1 238.400 3.374 20 0 BGADMN Cc1nc(CNC2(CC(C)C)CC2)cs1 ZINC000657776831 411594595 /nfs/dbraw/zinc/59/45/95/411594595.db2.gz YOVKWQWYEIUVMQ-UHFFFAOYSA-N 0 1 224.373 3.120 20 0 BGADMN CC(C)(C)C(F)(F)CNC1CCCC1 ZINC000657792242 411597930 /nfs/dbraw/zinc/59/79/30/411597930.db2.gz AJBUTBVVNGGACC-UHFFFAOYSA-N 0 1 205.292 3.200 20 0 BGADMN CC(C)(C)C(F)(F)CNCC1(C)CC1 ZINC000657792344 411598450 /nfs/dbraw/zinc/59/84/50/411598450.db2.gz CBNLOTHXNWHRQR-UHFFFAOYSA-N 0 1 205.292 3.058 20 0 BGADMN CC[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000657792370 411598367 /nfs/dbraw/zinc/59/83/67/411598367.db2.gz CURUHLIRFOMNTF-GHMZBOCLSA-N 0 1 249.345 3.215 20 0 BGADMN CC[C@H]1C[C@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000657792372 411598259 /nfs/dbraw/zinc/59/82/59/411598259.db2.gz CURUHLIRFOMNTF-MNOVXSKESA-N 0 1 249.345 3.215 20 0 BGADMN CC[C@H]1C[C@@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000657792375 411598041 /nfs/dbraw/zinc/59/80/41/411598041.db2.gz CURUHLIRFOMNTF-QWRGUYRKSA-N 0 1 249.345 3.215 20 0 BGADMN CC[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)CCO1 ZINC000657792376 411598293 /nfs/dbraw/zinc/59/82/93/411598293.db2.gz CURUHLIRFOMNTF-WDEREUQCSA-N 0 1 249.345 3.215 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)[C@H]1C[C@H]1C ZINC000657792607 411598165 /nfs/dbraw/zinc/59/81/65/411598165.db2.gz LDZMTYQGNADSAM-BBBLOLIVSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)[C@@H]1C[C@H]1C ZINC000657792608 411598475 /nfs/dbraw/zinc/59/84/75/411598475.db2.gz LDZMTYQGNADSAM-KXUCPTDWSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)[C@@H]1C[C@H]1C ZINC000657792609 411598467 /nfs/dbraw/zinc/59/84/67/411598467.db2.gz LDZMTYQGNADSAM-OPRDCNLKSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)[C@H]1C[C@H]1C ZINC000657792610 411598441 /nfs/dbraw/zinc/59/84/41/411598441.db2.gz LDZMTYQGNADSAM-UTLUCORTSA-N 0 1 219.319 3.302 20 0 BGADMN CC(C)(C)C(F)(F)CNC[C@H]1CCSC1 ZINC000657792695 411598672 /nfs/dbraw/zinc/59/86/72/411598672.db2.gz FMBBOFPJAAXTSN-SECBINFHSA-N 0 1 237.359 3.011 20 0 BGADMN CC(C)(C)C(F)(F)CNC[C@@H]1CCSC1 ZINC000657792713 411598807 /nfs/dbraw/zinc/59/88/07/411598807.db2.gz FMBBOFPJAAXTSN-VIFPVBQESA-N 0 1 237.359 3.011 20 0 BGADMN CC(C)(C)CNCC(F)(F)C(C)(C)C ZINC000657792768 411598503 /nfs/dbraw/zinc/59/85/03/411598503.db2.gz FWMKEODSCHOADY-UHFFFAOYSA-N 0 1 207.308 3.304 20 0 BGADMN C[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)C[C@H](C)O1 ZINC000657792870 411598935 /nfs/dbraw/zinc/59/89/35/411598935.db2.gz GMCVVOIEBKWWEZ-JGPRNRPPSA-N 0 1 249.345 3.213 20 0 BGADMN C[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)C[C@H](C)O1 ZINC000657792877 411598638 /nfs/dbraw/zinc/59/86/38/411598638.db2.gz GMCVVOIEBKWWEZ-URLYPYJESA-N 0 1 249.345 3.213 20 0 BGADMN CC[C@@H](C)CNCC(F)(F)C(C)(C)C ZINC000657793331 411598976 /nfs/dbraw/zinc/59/89/76/411598976.db2.gz JZTNXIDWVSCPIS-SECBINFHSA-N 0 1 207.308 3.304 20 0 BGADMN CC[C@H](C)CNCC(F)(F)C(C)(C)C ZINC000657793332 411599130 /nfs/dbraw/zinc/59/91/30/411599130.db2.gz JZTNXIDWVSCPIS-VIFPVBQESA-N 0 1 207.308 3.304 20 0 BGADMN C[C@@H]1CCC[C@H]1NCC(F)(F)C(C)(C)C ZINC000657793672 411598897 /nfs/dbraw/zinc/59/88/97/411598897.db2.gz ORVJGJIDJLJLCH-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CCC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000657793673 411599092 /nfs/dbraw/zinc/59/90/92/411599092.db2.gz ORVJGJIDJLJLCH-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CCC[C@H]1NCC(F)(F)C(C)(C)C ZINC000657793675 411598969 /nfs/dbraw/zinc/59/89/69/411598969.db2.gz ORVJGJIDJLJLCH-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CCC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000657793677 411598546 /nfs/dbraw/zinc/59/85/46/411598546.db2.gz ORVJGJIDJLJLCH-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)C1CC1 ZINC000657793898 411599098 /nfs/dbraw/zinc/59/90/98/411599098.db2.gz RADYUXVJJXTAJM-MRVPVSSYSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)C1CC1 ZINC000657793900 411598786 /nfs/dbraw/zinc/59/87/86/411598786.db2.gz RADYUXVJJXTAJM-QMMMGPOBSA-N 0 1 205.292 3.056 20 0 BGADMN CC(C)(C)C(F)(F)CNC1CCSCC1 ZINC000657794113 411598931 /nfs/dbraw/zinc/59/89/31/411598931.db2.gz UBJPQHVLCIVQJV-UHFFFAOYSA-N 0 1 237.359 3.153 20 0 BGADMN CC(C)(C)C(F)(F)CNCC1(C)CCC1 ZINC000657794153 411599535 /nfs/dbraw/zinc/59/95/35/411599535.db2.gz UMXHDEIFYBCPCO-UHFFFAOYSA-N 0 1 219.319 3.448 20 0 BGADMN C[C@@H]1CC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794526 411599780 /nfs/dbraw/zinc/59/97/80/411599780.db2.gz WXBBLWYZNXFDAB-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CC[C@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794527 411599634 /nfs/dbraw/zinc/59/96/34/411599634.db2.gz WXBBLWYZNXFDAB-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H]1CC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794529 411599346 /nfs/dbraw/zinc/59/93/46/411599346.db2.gz WXBBLWYZNXFDAB-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H]1CC[C@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794531 411599649 /nfs/dbraw/zinc/59/96/49/411599649.db2.gz WXBBLWYZNXFDAB-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN CO[C@@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794584 411599439 /nfs/dbraw/zinc/59/94/39/411599439.db2.gz XNEZSOSAYNSTIV-GHMZBOCLSA-N 0 1 249.345 3.215 20 0 BGADMN CO[C@H]1CCC[C@@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794585 411599910 /nfs/dbraw/zinc/59/99/10/411599910.db2.gz XNEZSOSAYNSTIV-MNOVXSKESA-N 0 1 249.345 3.215 20 0 BGADMN CO[C@H]1CCC[C@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794587 411599737 /nfs/dbraw/zinc/59/97/37/411599737.db2.gz XNEZSOSAYNSTIV-QWRGUYRKSA-N 0 1 249.345 3.215 20 0 BGADMN CO[C@@H]1CCC[C@H](NCC(F)(F)C(C)(C)C)C1 ZINC000657794588 411599850 /nfs/dbraw/zinc/59/98/50/411599850.db2.gz XNEZSOSAYNSTIV-WDEREUQCSA-N 0 1 249.345 3.215 20 0 BGADMN COc1cccc(CNCc2ccc(C)o2)c1C ZINC000657802244 411599473 /nfs/dbraw/zinc/59/94/73/411599473.db2.gz YXPUSBANWJUZTE-UHFFFAOYSA-N 0 1 245.322 3.195 20 0 BGADMN COc1cccc(CNCc2ccoc2C)c1C ZINC000657802748 411599710 /nfs/dbraw/zinc/59/97/10/411599710.db2.gz BHYYVNNPINBYTE-UHFFFAOYSA-N 0 1 245.322 3.195 20 0 BGADMN COc1cccc(CNCc2occc2C)c1C ZINC000657803851 411600313 /nfs/dbraw/zinc/60/03/13/411600313.db2.gz AHSXALVRDNOLGB-UHFFFAOYSA-N 0 1 245.322 3.195 20 0 BGADMN Cc1nc(CN[C@H](C)C(C)(C)C(F)F)cs1 ZINC000657845356 411610311 /nfs/dbraw/zinc/61/03/11/411610311.db2.gz VYELFXAMXXHJQP-SSDOTTSWSA-N 0 1 248.342 3.221 20 0 BGADMN Cc1nc(CN[C@@H](C)C(C)(C)C(F)F)cs1 ZINC000657845358 411610709 /nfs/dbraw/zinc/61/07/09/411610709.db2.gz VYELFXAMXXHJQP-ZETCQYMHSA-N 0 1 248.342 3.221 20 0 BGADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccsc1 ZINC000658005398 411195969 /nfs/dbraw/zinc/19/59/69/411195969.db2.gz ZNTKMZZIELVNTN-CMPLNLGQSA-N 0 1 247.367 3.130 20 0 BGADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccsc1 ZINC000658005400 411195793 /nfs/dbraw/zinc/19/57/93/411195793.db2.gz ZNTKMZZIELVNTN-JQWIXIFHSA-N 0 1 247.367 3.130 20 0 BGADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccsc1 ZINC000658005401 411195902 /nfs/dbraw/zinc/19/59/02/411195902.db2.gz ZNTKMZZIELVNTN-PWSUYJOCSA-N 0 1 247.367 3.130 20 0 BGADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccsc1 ZINC000658005403 411195889 /nfs/dbraw/zinc/19/58/89/411195889.db2.gz ZNTKMZZIELVNTN-ZYHUDNBSSA-N 0 1 247.367 3.130 20 0 BGADMN C[C@@H](N[C@@H]1CCCC1(F)F)C(C)(C)C(F)F ZINC000658013905 411197594 /nfs/dbraw/zinc/19/75/94/411197594.db2.gz JKXFPYTYJYLTFY-HTQZYQBOSA-N 0 1 241.272 3.444 20 0 BGADMN C[C@H](N[C@@H]1CCCC1(F)F)C(C)(C)C(F)F ZINC000658013906 411197445 /nfs/dbraw/zinc/19/74/45/411197445.db2.gz JKXFPYTYJYLTFY-JGVFFNPUSA-N 0 1 241.272 3.444 20 0 BGADMN C[C@@H](N[C@H]1CCCC1(F)F)C(C)(C)C(F)F ZINC000658013908 411197374 /nfs/dbraw/zinc/19/73/74/411197374.db2.gz JKXFPYTYJYLTFY-SFYZADRCSA-N 0 1 241.272 3.444 20 0 BGADMN C[C@H](N[C@H]1CCCC1(F)F)C(C)(C)C(F)F ZINC000658013909 411197953 /nfs/dbraw/zinc/19/79/53/411197953.db2.gz JKXFPYTYJYLTFY-YUMQZZPRSA-N 0 1 241.272 3.444 20 0 BGADMN FC1(F)CCC[C@H]1N[C@@H]1CCCC12CC2 ZINC000658013980 411197877 /nfs/dbraw/zinc/19/78/77/411197877.db2.gz KIABFRJICHWLKE-NXEZZACHSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@H]1CCCC12CC2 ZINC000658013982 411198052 /nfs/dbraw/zinc/19/80/52/411198052.db2.gz KIABFRJICHWLKE-UWVGGRQHSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@H]1N[C@H]1CCCC12CC2 ZINC000658013984 411197276 /nfs/dbraw/zinc/19/72/76/411197276.db2.gz KIABFRJICHWLKE-VHSXEESVSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@@H]1CCCC12CC2 ZINC000658013985 411197827 /nfs/dbraw/zinc/19/78/27/411197827.db2.gz KIABFRJICHWLKE-ZJUUUORDSA-N 0 1 215.287 3.097 20 0 BGADMN FC1(F)CCC[C@H]1N[C@@H]1CCCSCC1 ZINC000658015243 411197793 /nfs/dbraw/zinc/19/77/93/411197793.db2.gz PTSHWQYVRBLMTN-NXEZZACHSA-N 0 1 235.343 3.050 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@H]1CCCSCC1 ZINC000658015244 411197337 /nfs/dbraw/zinc/19/73/37/411197337.db2.gz PTSHWQYVRBLMTN-UWVGGRQHSA-N 0 1 235.343 3.050 20 0 BGADMN FC1(F)CCC[C@H]1N[C@H]1CCCSCC1 ZINC000658015245 411197492 /nfs/dbraw/zinc/19/74/92/411197492.db2.gz PTSHWQYVRBLMTN-VHSXEESVSA-N 0 1 235.343 3.050 20 0 BGADMN FC1(F)CCC[C@@H]1N[C@@H]1CCCSCC1 ZINC000658015246 411197807 /nfs/dbraw/zinc/19/78/07/411197807.db2.gz PTSHWQYVRBLMTN-ZJUUUORDSA-N 0 1 235.343 3.050 20 0 BGADMN CCOC1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000658015982 411198618 /nfs/dbraw/zinc/19/86/18/411198618.db2.gz UNVJJFRZMOXRTB-HTAVTVPLSA-N 0 1 247.329 3.112 20 0 BGADMN CCOC1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000658015984 411198875 /nfs/dbraw/zinc/19/88/75/411198875.db2.gz UNVJJFRZMOXRTB-MCIGGMRASA-N 0 1 247.329 3.112 20 0 BGADMN CC(F)(F)CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658022611 411200795 /nfs/dbraw/zinc/20/07/95/411200795.db2.gz BPOIGGZUSABLHC-KXUCPTDWSA-N 0 1 217.303 3.056 20 0 BGADMN CC(F)(F)CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658022612 411200355 /nfs/dbraw/zinc/20/03/55/411200355.db2.gz BPOIGGZUSABLHC-UTLUCORTSA-N 0 1 217.303 3.056 20 0 BGADMN Cc1nc([C@@H](C)NCCC(C)(C)F)cs1 ZINC000658191459 411286711 /nfs/dbraw/zinc/28/67/11/411286711.db2.gz ULWZJRWBQPDQKN-MRVPVSSYSA-N 0 1 230.352 3.240 20 0 BGADMN Cc1nc([C@H](C)NCCC(C)(C)F)cs1 ZINC000658191462 411286553 /nfs/dbraw/zinc/28/65/53/411286553.db2.gz ULWZJRWBQPDQKN-QMMMGPOBSA-N 0 1 230.352 3.240 20 0 BGADMN Cc1nc([C@@H](C)NC[C@@]2(C)CC2(F)F)cs1 ZINC000658219315 411298338 /nfs/dbraw/zinc/29/83/38/411298338.db2.gz NJJOXBZNTQOWJQ-GMSGAONNSA-N 0 1 246.326 3.147 20 0 BGADMN Cc1nc([C@H](C)NC[C@@]2(C)CC2(F)F)cs1 ZINC000658219316 411298994 /nfs/dbraw/zinc/29/89/94/411298994.db2.gz NJJOXBZNTQOWJQ-OIBJUYFYSA-N 0 1 246.326 3.147 20 0 BGADMN Cc1nc([C@@H](C)NC[C@]2(C)CC2(F)F)cs1 ZINC000658219317 411298379 /nfs/dbraw/zinc/29/83/79/411298379.db2.gz NJJOXBZNTQOWJQ-XCBNKYQSSA-N 0 1 246.326 3.147 20 0 BGADMN Cc1nc([C@H](C)NC[C@]2(C)CC2(F)F)cs1 ZINC000658219318 411298391 /nfs/dbraw/zinc/29/83/91/411298391.db2.gz NJJOXBZNTQOWJQ-XVKPBYJWSA-N 0 1 246.326 3.147 20 0 BGADMN Cc1cc([C@@H](C)NCCCC2CCC2)no1 ZINC000658219624 411299661 /nfs/dbraw/zinc/29/96/61/411299661.db2.gz CEFNQVDMOZVKKE-LLVKDONJSA-N 0 1 222.332 3.214 20 0 BGADMN Cc1cc([C@H](C)NCCCC2CCC2)no1 ZINC000658219625 411299787 /nfs/dbraw/zinc/29/97/87/411299787.db2.gz CEFNQVDMOZVKKE-NSHDSACASA-N 0 1 222.332 3.214 20 0 BGADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccoc1 ZINC000658236739 411306161 /nfs/dbraw/zinc/30/61/61/411306161.db2.gz BEXPPVQSTNCUOX-BMIGLBTASA-N 0 1 243.306 3.323 20 0 BGADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccoc1 ZINC000658236742 411305965 /nfs/dbraw/zinc/30/59/65/411305965.db2.gz BEXPPVQSTNCUOX-BONVTDFDSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccoc1 ZINC000658236744 411306062 /nfs/dbraw/zinc/30/60/62/411306062.db2.gz BEXPPVQSTNCUOX-MEBBXXQBSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccoc1 ZINC000658236746 411306058 /nfs/dbraw/zinc/30/60/58/411306058.db2.gz BEXPPVQSTNCUOX-ZUZCIYMTSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccco1 ZINC000658238882 411308345 /nfs/dbraw/zinc/30/83/45/411308345.db2.gz LUIJWJYFJGZJLK-HZMBPMFUSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccco1 ZINC000658238883 411308320 /nfs/dbraw/zinc/30/83/20/411308320.db2.gz LUIJWJYFJGZJLK-IINYFYTJSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccco1 ZINC000658238884 411308078 /nfs/dbraw/zinc/30/80/78/411308078.db2.gz LUIJWJYFJGZJLK-QMTHXVAHSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccco1 ZINC000658238885 411308249 /nfs/dbraw/zinc/30/82/49/411308249.db2.gz LUIJWJYFJGZJLK-YGRLFVJLSA-N 0 1 243.306 3.323 20 0 BGADMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000658279653 411319470 /nfs/dbraw/zinc/31/94/70/411319470.db2.gz BMNBSAIPBNFYAT-HTQZYQBOSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000658279655 411319894 /nfs/dbraw/zinc/31/98/94/411319894.db2.gz BMNBSAIPBNFYAT-JGVFFNPUSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000658279658 411319930 /nfs/dbraw/zinc/31/99/30/411319930.db2.gz BMNBSAIPBNFYAT-SFYZADRCSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1nccs1 ZINC000658279661 411319567 /nfs/dbraw/zinc/31/95/67/411319567.db2.gz BMNBSAIPBNFYAT-YUMQZZPRSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1cscn1 ZINC000658280776 411320476 /nfs/dbraw/zinc/32/04/76/411320476.db2.gz LOUCTOQAARUKJW-APPZFPTMSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1cscn1 ZINC000658280777 411320607 /nfs/dbraw/zinc/32/06/07/411320607.db2.gz LOUCTOQAARUKJW-CBAPKCEASA-N 0 1 246.326 3.085 20 0 BGADMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1cscn1 ZINC000658280778 411320521 /nfs/dbraw/zinc/32/05/21/411320521.db2.gz LOUCTOQAARUKJW-IONNQARKSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1cscn1 ZINC000658280779 411320643 /nfs/dbraw/zinc/32/06/43/411320643.db2.gz LOUCTOQAARUKJW-VXNVDRBHSA-N 0 1 246.326 3.085 20 0 BGADMN C[C@@H](NCC1=CCCC1)c1cn2ccccc2n1 ZINC000658290854 411324235 /nfs/dbraw/zinc/32/42/35/411324235.db2.gz GUTZJWGIHRIZKO-GFCCVEGCSA-N 0 1 241.338 3.095 20 0 BGADMN C[C@H](NCC1=CCCC1)c1cn2ccccc2n1 ZINC000658290857 411325066 /nfs/dbraw/zinc/32/50/66/411325066.db2.gz GUTZJWGIHRIZKO-LBPRGKRZSA-N 0 1 241.338 3.095 20 0 BGADMN Cc1nc([C@@H](C)N[C@@]2(C)CC2(C)C)cs1 ZINC000658300212 411326735 /nfs/dbraw/zinc/32/67/35/411326735.db2.gz CIJYCBQRMZZNMS-PELKAZGASA-N 0 1 224.373 3.291 20 0 BGADMN Cc1nc([C@@H](C)N[C@]2(C)CC2(C)C)cs1 ZINC000658300214 411326695 /nfs/dbraw/zinc/32/66/95/411326695.db2.gz CIJYCBQRMZZNMS-PRHODGIISA-N 0 1 224.373 3.291 20 0 BGADMN Cc1nc([C@H](C)N[C@]2(C)CC2(C)C)cs1 ZINC000658300216 411326754 /nfs/dbraw/zinc/32/67/54/411326754.db2.gz CIJYCBQRMZZNMS-QPUJVOFHSA-N 0 1 224.373 3.291 20 0 BGADMN Cc1nc([C@H](C)N[C@@]2(C)CC2(C)C)cs1 ZINC000658300218 411326913 /nfs/dbraw/zinc/32/69/13/411326913.db2.gz CIJYCBQRMZZNMS-UFBFGSQYSA-N 0 1 224.373 3.291 20 0 BGADMN Cc1cc([C@@H](C)NC2(CC(C)C)CC2)no1 ZINC000658320750 411332428 /nfs/dbraw/zinc/33/24/28/411332428.db2.gz GLOZJZCEYNNELC-LLVKDONJSA-N 0 1 222.332 3.212 20 0 BGADMN Cc1cc([C@H](C)NC2(CC(C)C)CC2)no1 ZINC000658320751 411332600 /nfs/dbraw/zinc/33/26/00/411332600.db2.gz GLOZJZCEYNNELC-NSHDSACASA-N 0 1 222.332 3.212 20 0 BGADMN CC(C)CC1(N[C@@H](C)c2cscn2)CC1 ZINC000658321812 411333774 /nfs/dbraw/zinc/33/37/74/411333774.db2.gz XQLMHMJUPIPBDH-JTQLQIEISA-N 0 1 224.373 3.372 20 0 BGADMN CC(C)CC1(N[C@H](C)c2cscn2)CC1 ZINC000658321814 411333943 /nfs/dbraw/zinc/33/39/43/411333943.db2.gz XQLMHMJUPIPBDH-SNVBAGLBSA-N 0 1 224.373 3.372 20 0 BGADMN C[C@H](NCCCc1ccco1)c1cscn1 ZINC000658324611 411333742 /nfs/dbraw/zinc/33/37/42/411333742.db2.gz ACFPUACJCKTKPS-JTQLQIEISA-N 0 1 236.340 3.020 20 0 BGADMN C[C@@H](NCCCc1ccco1)c1cscn1 ZINC000658324612 411333646 /nfs/dbraw/zinc/33/36/46/411333646.db2.gz ACFPUACJCKTKPS-SNVBAGLBSA-N 0 1 236.340 3.020 20 0 BGADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccccc1Cl ZINC000658334269 411342698 /nfs/dbraw/zinc/34/26/98/411342698.db2.gz HBZFPNHGWNDZMD-BIMULSAOSA-N 0 1 239.746 3.168 20 0 BGADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccccc1Cl ZINC000658334270 411342749 /nfs/dbraw/zinc/34/27/49/411342749.db2.gz HBZFPNHGWNDZMD-WQAKAFBOSA-N 0 1 239.746 3.168 20 0 BGADMN Cc1ccsc1[C@@H](C)N[C@H](C)c1nccn1C ZINC000658335388 411346443 /nfs/dbraw/zinc/34/64/43/411346443.db2.gz VTUQHZVGMHNWCG-GHMZBOCLSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccsc1[C@@H](C)N[C@@H](C)c1nccn1C ZINC000658335389 411346048 /nfs/dbraw/zinc/34/60/48/411346048.db2.gz VTUQHZVGMHNWCG-MNOVXSKESA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccsc1[C@H](C)N[C@@H](C)c1nccn1C ZINC000658335390 411346036 /nfs/dbraw/zinc/34/60/36/411346036.db2.gz VTUQHZVGMHNWCG-QWRGUYRKSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccsc1[C@H](C)N[C@H](C)c1nccn1C ZINC000658335391 411346315 /nfs/dbraw/zinc/34/63/15/411346315.db2.gz VTUQHZVGMHNWCG-WDEREUQCSA-N 0 1 249.383 3.202 20 0 BGADMN CC1CC(NCC(F)(F)C(C)(C)C)C1 ZINC000658336717 411345039 /nfs/dbraw/zinc/34/50/39/411345039.db2.gz IDRFPYIMNHTUSN-UHFFFAOYSA-N 0 1 205.292 3.056 20 0 BGADMN CC(C)[C@@H](C)NCC(F)(F)C(C)(C)C ZINC000658336723 411344846 /nfs/dbraw/zinc/34/48/46/411344846.db2.gz IPYZEAHQDGZDBA-SECBINFHSA-N 0 1 207.308 3.302 20 0 BGADMN CC(C)[C@H](C)NCC(F)(F)C(C)(C)C ZINC000658336724 411345032 /nfs/dbraw/zinc/34/50/32/411345032.db2.gz IPYZEAHQDGZDBA-VIFPVBQESA-N 0 1 207.308 3.302 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)[C@@H]1CCCOC1 ZINC000658336734 411344697 /nfs/dbraw/zinc/34/46/97/411344697.db2.gz IXXBGWBIYRXLCK-GHMZBOCLSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)[C@H]1CCCOC1 ZINC000658336736 411344790 /nfs/dbraw/zinc/34/47/90/411344790.db2.gz IXXBGWBIYRXLCK-MNOVXSKESA-N 0 1 249.345 3.073 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)[C@H]1CCCOC1 ZINC000658336738 411344403 /nfs/dbraw/zinc/34/44/03/411344403.db2.gz IXXBGWBIYRXLCK-QWRGUYRKSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)[C@@H]1CCCOC1 ZINC000658336740 411344664 /nfs/dbraw/zinc/34/46/64/411344664.db2.gz IXXBGWBIYRXLCK-WDEREUQCSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@H](NCC(F)(F)C(C)(C)C)C1CC1 ZINC000658336742 411344654 /nfs/dbraw/zinc/34/46/54/411344654.db2.gz IZLCDNMNQLQHNM-JTQLQIEISA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H](NCC(F)(F)C(C)(C)C)C1CC1 ZINC000658336743 411344293 /nfs/dbraw/zinc/34/42/93/411344293.db2.gz IZLCDNMNQLQHNM-SNVBAGLBSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)C1CCC1 ZINC000658336767 411344286 /nfs/dbraw/zinc/34/42/86/411344286.db2.gz JRXAWFVFHLUGAO-SECBINFHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)C1CCC1 ZINC000658336768 411344704 /nfs/dbraw/zinc/34/47/04/411344704.db2.gz JRXAWFVFHLUGAO-VIFPVBQESA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H](NCC(F)(F)C(C)(C)C)C1CCOCC1 ZINC000658336769 411344744 /nfs/dbraw/zinc/34/47/44/411344744.db2.gz JSWJDKSRBCEADY-JTQLQIEISA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H](NCC(F)(F)C(C)(C)C)C1CCOCC1 ZINC000658336771 411344990 /nfs/dbraw/zinc/34/49/90/411344990.db2.gz JSWJDKSRBCEADY-SNVBAGLBSA-N 0 1 249.345 3.073 20 0 BGADMN COCCC[C@H](C)NCC(F)(F)C(C)(C)C ZINC000658336772 411344451 /nfs/dbraw/zinc/34/44/51/411344451.db2.gz KIOQGOQTFYZFGX-JTQLQIEISA-N 0 1 237.334 3.073 20 0 BGADMN COCCC[C@@H](C)NCC(F)(F)C(C)(C)C ZINC000658336773 411345121 /nfs/dbraw/zinc/34/51/21/411345121.db2.gz KIOQGOQTFYZFGX-SNVBAGLBSA-N 0 1 237.334 3.073 20 0 BGADMN CC(C)(C)C(F)(F)CNC1CC(C)(C)C1 ZINC000658337044 411345135 /nfs/dbraw/zinc/34/51/35/411345135.db2.gz BVZBXEALHJXGMB-UHFFFAOYSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@H](CC1CC1)NCC(F)(F)C(C)(C)C ZINC000658337077 411344277 /nfs/dbraw/zinc/34/42/77/411344277.db2.gz LIYRYIMDUGAIKP-SECBINFHSA-N 0 1 219.319 3.446 20 0 BGADMN C[C@@H](CC1CC1)NCC(F)(F)C(C)(C)C ZINC000658337078 411344876 /nfs/dbraw/zinc/34/48/76/411344876.db2.gz LIYRYIMDUGAIKP-VIFPVBQESA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CNC(C1CC1)C1CC1 ZINC000658337092 411345117 /nfs/dbraw/zinc/34/51/17/411345117.db2.gz MFRFCFUPKMXZST-UHFFFAOYSA-N 0 1 231.330 3.446 20 0 BGADMN CCC(CC)NCC(F)(F)C(C)(C)C ZINC000658337466 411345015 /nfs/dbraw/zinc/34/50/15/411345015.db2.gz QQPBFPZNKVWYCI-UHFFFAOYSA-N 0 1 207.308 3.446 20 0 BGADMN CC[C@@H](NCC(F)(F)C(C)(C)C)[C@@H]1CCOC1 ZINC000658337593 411345184 /nfs/dbraw/zinc/34/51/84/411345184.db2.gz TVRGJECZAPGEEV-GHMZBOCLSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@H](NCC(F)(F)C(C)(C)C)[C@@H]1CCOC1 ZINC000658337597 411344320 /nfs/dbraw/zinc/34/43/20/411344320.db2.gz TVRGJECZAPGEEV-MNOVXSKESA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@H](NCC(F)(F)C(C)(C)C)[C@H]1CCOC1 ZINC000658337599 411345191 /nfs/dbraw/zinc/34/51/91/411345191.db2.gz TVRGJECZAPGEEV-QWRGUYRKSA-N 0 1 249.345 3.073 20 0 BGADMN CC[C@@H](NCC(F)(F)C(C)(C)C)[C@H]1CCOC1 ZINC000658337602 411345150 /nfs/dbraw/zinc/34/51/50/411345150.db2.gz TVRGJECZAPGEEV-WDEREUQCSA-N 0 1 249.345 3.073 20 0 BGADMN CCC[C@@H](C)NCC(F)(F)C(C)(C)C ZINC000658337696 411345174 /nfs/dbraw/zinc/34/51/74/411345174.db2.gz VHPWHSPYSATKBT-SECBINFHSA-N 0 1 207.308 3.446 20 0 BGADMN CCC[C@H](C)NCC(F)(F)C(C)(C)C ZINC000658337697 411345168 /nfs/dbraw/zinc/34/51/68/411345168.db2.gz VHPWHSPYSATKBT-VIFPVBQESA-N 0 1 207.308 3.446 20 0 BGADMN COC1CCC(NCC(F)(F)C(C)(C)C)CC1 ZINC000658337699 411346654 /nfs/dbraw/zinc/34/66/54/411346654.db2.gz VKQMZAVUPFTPJE-UHFFFAOYSA-N 0 1 249.345 3.215 20 0 BGADMN CC[C@@H]1CC[C@H]1NCC(F)(F)C(C)(C)C ZINC000658338903 411346054 /nfs/dbraw/zinc/34/60/54/411346054.db2.gz MSHGUZGXFNELJL-NXEZZACHSA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@H]1CC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000658338905 411346419 /nfs/dbraw/zinc/34/64/19/411346419.db2.gz MSHGUZGXFNELJL-UWVGGRQHSA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@H]1CC[C@H]1NCC(F)(F)C(C)(C)C ZINC000658338907 411346672 /nfs/dbraw/zinc/34/66/72/411346672.db2.gz MSHGUZGXFNELJL-VHSXEESVSA-N 0 1 219.319 3.446 20 0 BGADMN CC[C@@H]1CC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000658338909 411346281 /nfs/dbraw/zinc/34/62/81/411346281.db2.gz MSHGUZGXFNELJL-ZJUUUORDSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC1(C)C ZINC000658339209 411345924 /nfs/dbraw/zinc/34/59/24/411345924.db2.gz PDJZPKYPESJTGG-SECBINFHSA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@H]1CCC1(C)C ZINC000658339212 411346216 /nfs/dbraw/zinc/34/62/16/411346216.db2.gz PDJZPKYPESJTGG-VIFPVBQESA-N 0 1 219.319 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@H]1CCC[C@H]2C[C@H]21 ZINC000658339600 411346004 /nfs/dbraw/zinc/34/60/04/411346004.db2.gz TTYHVKLZLGJDBN-AXFHLTTASA-N 0 1 231.330 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658339603 411345944 /nfs/dbraw/zinc/34/59/44/411345944.db2.gz TTYHVKLZLGJDBN-HBNTYKKESA-N 0 1 231.330 3.446 20 0 BGADMN C[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)[C@@H]1C ZINC000658339766 411346241 /nfs/dbraw/zinc/34/62/41/411346241.db2.gz VGRPMEWTISLHQG-BBBLOLIVSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)[C@H]1C ZINC000658339768 411345972 /nfs/dbraw/zinc/34/59/72/411345972.db2.gz VGRPMEWTISLHQG-KXUCPTDWSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)[C@@H]1C ZINC000658339770 411346198 /nfs/dbraw/zinc/34/61/98/411346198.db2.gz VGRPMEWTISLHQG-OPRDCNLKSA-N 0 1 219.319 3.302 20 0 BGADMN C[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)[C@H]1C ZINC000658339771 411346754 /nfs/dbraw/zinc/34/67/54/411346754.db2.gz VGRPMEWTISLHQG-UTLUCORTSA-N 0 1 219.319 3.302 20 0 BGADMN COc1cccc(CN[C@H](C)c2ccco2)c1C ZINC000658351346 411353751 /nfs/dbraw/zinc/35/37/51/411353751.db2.gz BZRBIFCLIBLLES-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1cccc(CN[C@@H](C)c2ccco2)c1C ZINC000658351347 411354056 /nfs/dbraw/zinc/35/40/56/411354056.db2.gz BZRBIFCLIBLLES-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COc1cccc(CN[C@H](C)c2ccoc2)c1C ZINC000658352268 411354941 /nfs/dbraw/zinc/35/49/41/411354941.db2.gz GYMDFWUXWLLNKE-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1cccc(CN[C@@H](C)c2ccoc2)c1C ZINC000658352269 411355126 /nfs/dbraw/zinc/35/51/26/411355126.db2.gz GYMDFWUXWLLNKE-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN C[C@H](O)[C@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658359927 490242480 /nfs/dbraw/zinc/24/24/80/490242480.db2.gz DVXBSDMDIOSVAH-HUBLWGQQSA-N 0 1 245.322 3.052 20 0 BGADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658359929 490242467 /nfs/dbraw/zinc/24/24/67/490242467.db2.gz DVXBSDMDIOSVAH-SLEUVZQESA-N 0 1 245.322 3.052 20 0 BGADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658359930 490242124 /nfs/dbraw/zinc/24/21/24/490242124.db2.gz DVXBSDMDIOSVAH-YWPYICTPSA-N 0 1 245.322 3.052 20 0 BGADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000658359937 411339353 /nfs/dbraw/zinc/33/93/53/411339353.db2.gz DVXBSDMDIOSVAH-ZOWXZIJZSA-N 0 1 245.322 3.052 20 0 BGADMN C[C@H](O)[C@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658362778 409935023 /nfs/dbraw/zinc/93/50/23/409935023.db2.gz SDPDOOFJWGTUDZ-HUBLWGQQSA-N 0 1 245.322 3.052 20 0 BGADMN C[C@H](O)[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658362781 409935235 /nfs/dbraw/zinc/93/52/35/409935235.db2.gz SDPDOOFJWGTUDZ-SLEUVZQESA-N 0 1 245.322 3.052 20 0 BGADMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658362782 409934965 /nfs/dbraw/zinc/93/49/65/409934965.db2.gz SDPDOOFJWGTUDZ-YWPYICTPSA-N 0 1 245.322 3.052 20 0 BGADMN C[C@@H](O)[C@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000658362785 409934738 /nfs/dbraw/zinc/93/47/38/409934738.db2.gz SDPDOOFJWGTUDZ-ZOWXZIJZSA-N 0 1 245.322 3.052 20 0 BGADMN CC(C)=CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000659787874 411454332 /nfs/dbraw/zinc/45/43/32/411454332.db2.gz GMYXPNAPMINWNY-UHFFFAOYSA-N 0 1 247.338 3.173 20 0 BGADMN CC(C)=CCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000659789299 411454740 /nfs/dbraw/zinc/45/47/40/411454740.db2.gz RCQJYKXPSSXXLK-CYBMUJFWSA-N 0 1 239.359 3.062 20 0 BGADMN CC(C)=CCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000659789304 411454393 /nfs/dbraw/zinc/45/43/93/411454393.db2.gz RCQJYKXPSSXXLK-ZDUSSCGKSA-N 0 1 239.359 3.062 20 0 BGADMN CC(C)=CCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000659789718 411454592 /nfs/dbraw/zinc/45/45/92/411454592.db2.gz UMQSHRGLGMVEDC-UHFFFAOYSA-N 0 1 239.359 3.062 20 0 BGADMN CC[C@@H](C)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659790368 411455806 /nfs/dbraw/zinc/45/58/06/411455806.db2.gz PEBVECZKJUOGBN-CYBMUJFWSA-N 0 1 249.354 3.009 20 0 BGADMN CC[C@H](C)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659790369 411455869 /nfs/dbraw/zinc/45/58/69/411455869.db2.gz PEBVECZKJUOGBN-ZDUSSCGKSA-N 0 1 249.354 3.009 20 0 BGADMN CC(C)=CCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790831 411455711 /nfs/dbraw/zinc/45/57/11/411455711.db2.gz OQQOSZQFBAJENN-UHFFFAOYSA-N 0 1 245.322 3.057 20 0 BGADMN CC/C=C\CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659791055 411281321 /nfs/dbraw/zinc/28/13/21/411281321.db2.gz LVCVPBXZZFLQHO-ARJAWSKDSA-N 0 1 245.322 3.057 20 0 BGADMN CC/C=C/CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659791056 411281311 /nfs/dbraw/zinc/28/13/11/411281311.db2.gz LVCVPBXZZFLQHO-ONEGZZNKSA-N 0 1 245.322 3.057 20 0 BGADMN CC(C)=CCC[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000659791960 411455814 /nfs/dbraw/zinc/45/58/14/411455814.db2.gz NZOKGZBKDDODKA-UHFFFAOYSA-N 0 1 239.359 3.062 20 0 BGADMN CCCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794545 411455346 /nfs/dbraw/zinc/45/53/46/411455346.db2.gz GRVAONDCKLNKAN-KBPBESRZSA-N 0 1 247.338 3.077 20 0 BGADMN CCCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000659794547 411455834 /nfs/dbraw/zinc/45/58/34/411455834.db2.gz GRVAONDCKLNKAN-UONOGXRCSA-N 0 1 247.338 3.077 20 0 BGADMN CCC(C)(C)CC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000659795513 411286183 /nfs/dbraw/zinc/28/61/83/411286183.db2.gz YDGCVMNTUOCVSF-LLVKDONJSA-N 0 1 241.375 3.140 20 0 BGADMN CCC(C)(C)CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000659795514 411286411 /nfs/dbraw/zinc/28/64/11/411286411.db2.gz YDGCVMNTUOCVSF-NSHDSACASA-N 0 1 241.375 3.140 20 0 BGADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCCC(CC)CC ZINC000659802896 411459079 /nfs/dbraw/zinc/45/90/79/411459079.db2.gz ZEEMMFJKMWZNLU-CYBMUJFWSA-N 0 1 243.391 3.388 20 0 BGADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCCC(CC)CC ZINC000659802897 411458941 /nfs/dbraw/zinc/45/89/41/411458941.db2.gz ZEEMMFJKMWZNLU-ZDUSSCGKSA-N 0 1 243.391 3.388 20 0 BGADMN CCCCC[C@@H]1CCCC[N@H+]1CCCC(=O)[O-] ZINC000659803054 411458747 /nfs/dbraw/zinc/45/87/47/411458747.db2.gz AUVMLQBJCBRVLA-CYBMUJFWSA-N 0 1 241.375 3.286 20 0 BGADMN CCCCC[C@H]1CCCC[N@H+]1CCCC(=O)[O-] ZINC000659803055 411459444 /nfs/dbraw/zinc/45/94/44/411459444.db2.gz AUVMLQBJCBRVLA-ZDUSSCGKSA-N 0 1 241.375 3.286 20 0 BGADMN CC[C@@H]1CCC[C@H](C)[N@H+]1CCCCCC(=O)[O-] ZINC000659804491 411459395 /nfs/dbraw/zinc/45/93/95/411459395.db2.gz YDPKHRVQDKKNON-QWHCGFSZSA-N 0 1 241.375 3.284 20 0 BGADMN Cc1nc(CN(C)CC2CCCCC2)c(C)o1 ZINC000659811671 411459869 /nfs/dbraw/zinc/45/98/69/411459869.db2.gz HNKYGMWYFWUDQZ-UHFFFAOYSA-N 0 1 236.359 3.304 20 0 BGADMN CCCCN(CCCC)Cc1coc(C)n1 ZINC000659817034 411463338 /nfs/dbraw/zinc/46/33/38/411463338.db2.gz XBYUVALVPCPAHR-UHFFFAOYSA-N 0 1 224.348 3.385 20 0 BGADMN Cc1nc(CN(C)C2CCC(C)CC2)c(C)o1 ZINC000659820640 411462930 /nfs/dbraw/zinc/46/29/30/411462930.db2.gz IURKOXUCIZTLEP-UHFFFAOYSA-N 0 1 236.359 3.302 20 0 BGADMN CC(C)=CCCN1CCn2cccc2[C@H]1C ZINC000659821599 411464350 /nfs/dbraw/zinc/46/43/50/411464350.db2.gz FXLMZNNMZNYCSB-CYBMUJFWSA-N 0 1 218.344 3.221 20 0 BGADMN CC(C)=CCCN1CCn2cccc2[C@@H]1C ZINC000659821600 411464207 /nfs/dbraw/zinc/46/42/07/411464207.db2.gz 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20 0 BGADMN CCC1(CC)CCN(Cc2coc(C)n2)CC1 ZINC000660324802 411569317 /nfs/dbraw/zinc/56/93/17/411569317.db2.gz NIMRPFLXKMUDDO-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN Cc1nc(CN2CCC(C)(C(C)C)CC2)co1 ZINC000660328086 411414144 /nfs/dbraw/zinc/41/41/44/411414144.db2.gz YBVTZXZZHHDKJB-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN Cc1nc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c(C)o1 ZINC000660371044 411442491 /nfs/dbraw/zinc/44/24/91/411442491.db2.gz OLUDJGXKAAWNMB-CYBMUJFWSA-N 0 1 236.359 3.159 20 0 BGADMN Cc1nc(C[N@@H+]2CCC[C@H](C(C)C)C2)c(C)o1 ZINC000660371045 411442524 /nfs/dbraw/zinc/44/25/24/411442524.db2.gz OLUDJGXKAAWNMB-ZDUSSCGKSA-N 0 1 236.359 3.159 20 0 BGADMN Cc1nc(CN(C)[C@@H](C)C2CCCCC2)co1 ZINC000660427059 411583918 /nfs/dbraw/zinc/58/39/18/411583918.db2.gz QEWSOOQBKWWWHD-NSHDSACASA-N 0 1 236.359 3.384 20 0 BGADMN COc1cccc(CN2[C@H](C)C[C@@H]2C)c1Cl ZINC000660446697 411586802 /nfs/dbraw/zinc/58/68/02/411586802.db2.gz MYJDIXILYLSHLJ-AOOOYVTPSA-N 0 1 239.746 3.331 20 0 BGADMN COc1cccc(CN2[C@H](C)C[C@H]2C)c1Cl ZINC000660446699 411586793 /nfs/dbraw/zinc/58/67/93/411586793.db2.gz MYJDIXILYLSHLJ-NXEZZACHSA-N 0 1 239.746 3.331 20 0 BGADMN COc1cccc(CN2[C@@H](C)C[C@@H]2C)c1Cl ZINC000660446700 411586916 /nfs/dbraw/zinc/58/69/16/411586916.db2.gz MYJDIXILYLSHLJ-UWVGGRQHSA-N 0 1 239.746 3.331 20 0 BGADMN Cc1nc(CN(C)[C@@H]2CCC(C)(C)C2)c(C)o1 ZINC000660453579 411587219 /nfs/dbraw/zinc/58/72/19/411587219.db2.gz RPAZBVAYQMQGBT-GFCCVEGCSA-N 0 1 236.359 3.302 20 0 BGADMN Cc1nc(CN(C)[C@H]2CCC(C)(C)C2)c(C)o1 ZINC000660453580 411587379 /nfs/dbraw/zinc/58/73/79/411587379.db2.gz RPAZBVAYQMQGBT-LBPRGKRZSA-N 0 1 236.359 3.302 20 0 BGADMN CC1=C(C)CN(Cc2cc(C3CC3)no2)CC1 ZINC000660456379 411587537 /nfs/dbraw/zinc/58/75/37/411587537.db2.gz MQJAMPZAFOGCSP-UHFFFAOYSA-N 0 1 232.327 3.094 20 0 BGADMN C[C@@H]1CCCC[C@@H]1CN1Cc2cccnc2C1 ZINC000660461262 411588693 /nfs/dbraw/zinc/58/86/93/411588693.db2.gz BUTKCFQQTVPLHI-CHWSQXEVSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@@H]1CCCC[C@H]1CN1Cc2cccnc2C1 ZINC000660461263 411589088 /nfs/dbraw/zinc/58/90/88/411589088.db2.gz BUTKCFQQTVPLHI-OLZOCXBDSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@H]1CCCC[C@@H]1CN1Cc2cccnc2C1 ZINC000660461264 488036433 /nfs/dbraw/zinc/03/64/33/488036433.db2.gz BUTKCFQQTVPLHI-QWHCGFSZSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@H]1CCCC[C@H]1CN1Cc2cccnc2C1 ZINC000660461265 488035811 /nfs/dbraw/zinc/03/58/11/488035811.db2.gz BUTKCFQQTVPLHI-STQMWFEESA-N 0 1 230.355 3.224 20 0 BGADMN FC(F)[C@H]1CCCCN1CC1CC=CC1 ZINC000660486141 411593186 /nfs/dbraw/zinc/59/31/86/411593186.db2.gz PRJJZNYKUFCUOP-LLVKDONJSA-N 0 1 215.287 3.072 20 0 BGADMN FC(F)[C@@H]1CCCCN1CC1CC=CC1 ZINC000660486143 411592687 /nfs/dbraw/zinc/59/26/87/411592687.db2.gz PRJJZNYKUFCUOP-NSHDSACASA-N 0 1 215.287 3.072 20 0 BGADMN Cc1nc(CN(C)[C@H](C)C2CCCCC2)co1 ZINC000660488456 411321750 /nfs/dbraw/zinc/32/17/50/411321750.db2.gz QEWSOOQBKWWWHD-LLVKDONJSA-N 0 1 236.359 3.384 20 0 BGADMN Cc1nc(CN2CCC3(CCC3)CC2)c(C)o1 ZINC000660544453 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/nfs/dbraw/zinc/59/77/96/411597796.db2.gz LORWHWITIMYYHM-ZDUSSCGKSA-N 0 1 249.358 3.095 20 0 BGADMN CC(C)=CCCN[C@@H](C)c1c(F)cncc1F ZINC000660551083 411317675 /nfs/dbraw/zinc/31/76/75/411317675.db2.gz JEZMPNOXLNUQBQ-JTQLQIEISA-N 0 1 240.297 3.367 20 0 BGADMN CC(C)=CCCN[C@H](C)c1c(F)cncc1F ZINC000660551090 411317666 /nfs/dbraw/zinc/31/76/66/411317666.db2.gz JEZMPNOXLNUQBQ-SNVBAGLBSA-N 0 1 240.297 3.367 20 0 BGADMN CC(C)CC1(C)CCN(Cc2cn(C)cn2)CC1 ZINC000660561330 411600426 /nfs/dbraw/zinc/60/04/26/411600426.db2.gz RMNUFBCTVFHLJK-UHFFFAOYSA-N 0 1 249.402 3.068 20 0 BGADMN Cc1nc(CN2CCC(C)(C3CC3)CC2)c(C)o1 ZINC000660574272 411602392 /nfs/dbraw/zinc/60/23/92/411602392.db2.gz NGGBHJUNULVBHU-UHFFFAOYSA-N 0 1 248.370 3.304 20 0 BGADMN CCCC[C@H](C)N(C)Cc1cc(OC)ns1 ZINC000660586281 411603555 /nfs/dbraw/zinc/60/35/55/411603555.db2.gz FLXBFICWMJLIJF-JTQLQIEISA-N 0 1 242.388 3.162 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1cc(OC)ns1 ZINC000660586282 411603719 /nfs/dbraw/zinc/60/37/19/411603719.db2.gz 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BGADMN COc1cccc(CN2C[C@H](C)[C@@H]2C)c1Cl ZINC000660641187 411610902 /nfs/dbraw/zinc/61/09/02/411610902.db2.gz WYXRYLQTHGBKTQ-UWVGGRQHSA-N 0 1 239.746 3.189 20 0 BGADMN COc1cccc(CN2C[C@H](C)[C@H]2C)c1Cl ZINC000660641189 411610832 /nfs/dbraw/zinc/61/08/32/411610832.db2.gz WYXRYLQTHGBKTQ-VHSXEESVSA-N 0 1 239.746 3.189 20 0 BGADMN COc1cccc(CN2C[C@@H](C)[C@@H]2C)c1Cl ZINC000660641190 411611123 /nfs/dbraw/zinc/61/11/23/411611123.db2.gz WYXRYLQTHGBKTQ-ZJUUUORDSA-N 0 1 239.746 3.189 20 0 BGADMN CCc1nocc1CN(C)CCC=C(C)C ZINC000660657074 411374162 /nfs/dbraw/zinc/37/41/62/411374162.db2.gz PDEYIHDCIIBJSA-UHFFFAOYSA-N 0 1 222.332 3.025 20 0 BGADMN CN(Cc1c(F)cccc1F)CC1CC=CC1 ZINC000660658918 411614152 /nfs/dbraw/zinc/61/41/52/411614152.db2.gz WXIHACOUVOBOKK-UHFFFAOYSA-N 0 1 237.293 3.363 20 0 BGADMN Cc1ccc(C[N@@H+](C)CCC2CCC2)nc1 ZINC000660683325 409545859 /nfs/dbraw/zinc/54/58/59/409545859.db2.gz AQCCVPVBLWSXNI-UHFFFAOYSA-N 0 1 218.344 3.012 20 0 BGADMN CCN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 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OAKYNYSRZFHHPL-UHFFFAOYSA-N 0 1 236.359 3.302 20 0 BGADMN O=C1CCN(CCCC2CCC2)C2(CCC2)C1 ZINC000660818883 411643781 /nfs/dbraw/zinc/64/37/81/411643781.db2.gz KYKBVLPTOPEKOZ-UHFFFAOYSA-N 0 1 235.371 3.154 20 0 BGADMN Cc1nc(CN(C)CCC(C)(C)C)c(C)o1 ZINC000660899010 411664073 /nfs/dbraw/zinc/66/40/73/411664073.db2.gz IGDNQLYTCDWNNE-UHFFFAOYSA-N 0 1 224.348 3.159 20 0 BGADMN COc1cc(CN(C)CCC(C)(C)C)sn1 ZINC000660899787 411663980 /nfs/dbraw/zinc/66/39/80/411663980.db2.gz MXFBOEYGTMLJBQ-UHFFFAOYSA-N 0 1 242.388 3.020 20 0 BGADMN c1c(CN2CCC23CCCC3)onc1C1CC1 ZINC000660910285 411668802 /nfs/dbraw/zinc/66/88/02/411668802.db2.gz YOLDTRAZBYFKQQ-UHFFFAOYSA-N 0 1 232.327 3.071 20 0 BGADMN Fc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1F ZINC000660926645 411677496 /nfs/dbraw/zinc/67/74/96/411677496.db2.gz QUVQZZVRQWLAAM-GWCFXTLKSA-N 0 1 237.293 3.339 20 0 BGADMN c1ccc2oc(CN3C[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000660927498 409976119 /nfs/dbraw/zinc/97/61/19/409976119.db2.gz CDAZMEGVYXWDLS-AAEUAGOBSA-N 0 1 242.322 3.202 20 0 BGADMN COc1ccc(F)cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927727 411680111 /nfs/dbraw/zinc/68/01/11/411680111.db2.gz GIWJGGRKLFWBHM-FZMZJTMJSA-N 0 1 249.329 3.209 20 0 BGADMN Fc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000660927925 411679656 /nfs/dbraw/zinc/67/96/56/411679656.db2.gz JMYMBYNMFIIYPG-FZMZJTMJSA-N 0 1 237.293 3.339 20 0 BGADMN Fc1ccc(F)c(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660928153 411678903 /nfs/dbraw/zinc/67/89/03/411678903.db2.gz KHFDMZJVDMLIJT-HZMBPMFUSA-N 0 1 237.293 3.339 20 0 BGADMN Fc1ccc(F)c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660928153 411678900 /nfs/dbraw/zinc/67/89/00/411678900.db2.gz KHFDMZJVDMLIJT-HZMBPMFUSA-N 0 1 237.293 3.339 20 0 BGADMN Fc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660928213 411678519 /nfs/dbraw/zinc/67/85/19/411678519.db2.gz LETDQPSJZJAXPS-JSGCOSHPSA-N 0 1 219.303 3.200 20 0 BGADMN CCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660928332 411678944 /nfs/dbraw/zinc/67/89/44/411678944.db2.gz NAUZTGLDFRZYCP-HOCLYGCPSA-N 0 1 245.366 3.460 20 0 BGADMN Fc1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660928362 411679537 /nfs/dbraw/zinc/67/95/37/411679537.db2.gz MDSITOHZNUOMPV-JSGCOSHPSA-N 0 1 219.303 3.200 20 0 BGADMN Clc1cnccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660929058 411679666 /nfs/dbraw/zinc/67/96/66/411679666.db2.gz DINMJWQRGHJPDI-AAEUAGOBSA-N 0 1 236.746 3.109 20 0 BGADMN Fc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000660929604 411679923 /nfs/dbraw/zinc/67/99/23/411679923.db2.gz HYBKSYLNBJWSOR-FZMZJTMJSA-N 0 1 237.293 3.339 20 0 BGADMN Fc1cc(F)cc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660932161 411682247 /nfs/dbraw/zinc/68/22/47/411682247.db2.gz UXALVUIALNVUIL-FZMZJTMJSA-N 0 1 237.293 3.339 20 0 BGADMN Cc1nc(CN2C[C@@H]3CCCC[C@@H]32)sc1C ZINC000660932725 409978782 /nfs/dbraw/zinc/97/87/82/409978782.db2.gz VQTQJMGEODLTJL-RYUDHWBXSA-N 0 1 236.384 3.134 20 0 BGADMN CC(C)(C)n1cc(CN2C[C@@H]3CCCC[C@@H]32)cn1 ZINC000660933688 411684456 /nfs/dbraw/zinc/68/44/56/411684456.db2.gz DZVPKIGJZKVKHA-KBPBESRZSA-N 0 1 247.386 3.013 20 0 BGADMN CC(=O)c1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660934317 411684079 /nfs/dbraw/zinc/68/40/79/411684079.db2.gz PIERCVRUJUPDHO-HOTGVXAUSA-N 0 1 243.350 3.264 20 0 BGADMN C[C@@H]1CCC[C@H](CCN(C)Cc2c[nH]cn2)C1 ZINC000661086419 411697073 /nfs/dbraw/zinc/69/70/73/411697073.db2.gz YCCAKSILEHMCBW-CHWSQXEVSA-N 0 1 235.375 3.058 20 0 BGADMN C[C@@H]1CCC[C@@H](CCN(C)Cc2c[nH]cn2)C1 ZINC000661086420 411697267 /nfs/dbraw/zinc/69/72/67/411697267.db2.gz YCCAKSILEHMCBW-OLZOCXBDSA-N 0 1 235.375 3.058 20 0 BGADMN C[C@H]1CCC[C@H](CCN(C)Cc2c[nH]cn2)C1 ZINC000661086421 411696101 /nfs/dbraw/zinc/69/61/01/411696101.db2.gz YCCAKSILEHMCBW-QWHCGFSZSA-N 0 1 235.375 3.058 20 0 BGADMN C[C@H]1CCC[C@@H](CCN(C)Cc2c[nH]cn2)C1 ZINC000661086422 411695888 /nfs/dbraw/zinc/69/58/88/411695888.db2.gz YCCAKSILEHMCBW-STQMWFEESA-N 0 1 235.375 3.058 20 0 BGADMN Cc1cc(Cl)ccc1CN(C)Cc1cnc[nH]1 ZINC000661087789 411699479 /nfs/dbraw/zinc/69/94/79/411699479.db2.gz ASCMOZUOMPYVCP-UHFFFAOYSA-N 0 1 249.745 3.004 20 0 BGADMN Cc1ccc(CN(C)Cc2cnc[nH]2)c(Cl)c1 ZINC000661089607 411699972 /nfs/dbraw/zinc/69/99/72/411699972.db2.gz DBPQQKIJMRDCTG-UHFFFAOYSA-N 0 1 249.745 3.004 20 0 BGADMN Cc1cccc(Cl)c1CN(C)Cc1cnc[nH]1 ZINC000661089678 411701569 /nfs/dbraw/zinc/70/15/69/411701569.db2.gz FLXGZBLVEADQET-UHFFFAOYSA-N 0 1 249.745 3.004 20 0 BGADMN CC(C)c1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000661089971 411702905 /nfs/dbraw/zinc/70/29/05/411702905.db2.gz AOUZIAIQYBNARU-UHFFFAOYSA-N 0 1 243.354 3.165 20 0 BGADMN CN(CCC1CCCCCC1)Cc1c[nH]cn1 ZINC000661090046 411702583 /nfs/dbraw/zinc/70/25/83/411702583.db2.gz BZODNMYROJENDE-UHFFFAOYSA-N 0 1 235.375 3.202 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(Cl)cn1 ZINC000661103642 411709526 /nfs/dbraw/zinc/70/95/26/411709526.db2.gz HVLGKGGTUHJGED-JTQLQIEISA-N 0 1 226.751 3.355 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)cn1 ZINC000661103643 411708453 /nfs/dbraw/zinc/70/84/53/411708453.db2.gz HVLGKGGTUHJGED-SNVBAGLBSA-N 0 1 226.751 3.355 20 0 BGADMN CC[C@H](C)N(CC)Cc1nc(C)cs1 ZINC000661104353 411708507 /nfs/dbraw/zinc/70/85/07/411708507.db2.gz LCVLBSWTXQBTAN-JTQLQIEISA-N 0 1 212.362 3.072 20 0 BGADMN CC[C@@H](C)N(CC)Cc1nc(C)cs1 ZINC000661104354 411708695 /nfs/dbraw/zinc/70/86/95/411708695.db2.gz LCVLBSWTXQBTAN-SNVBAGLBSA-N 0 1 212.362 3.072 20 0 BGADMN CC[C@@H](C)N(CC)Cc1csc(C)n1 ZINC000661104522 411708327 /nfs/dbraw/zinc/70/83/27/411708327.db2.gz PFXPYSNRNGUCSW-SECBINFHSA-N 0 1 212.362 3.072 20 0 BGADMN CC[C@H](C)N(CC)Cc1csc(C)n1 ZINC000661104523 411709625 /nfs/dbraw/zinc/70/96/25/411709625.db2.gz PFXPYSNRNGUCSW-VIFPVBQESA-N 0 1 212.362 3.072 20 0 BGADMN CC[C@H](C)N(CC)Cc1ccncc1Cl ZINC000661104811 411708598 /nfs/dbraw/zinc/70/85/98/411708598.db2.gz SMEWVSAAXSVXCN-JTQLQIEISA-N 0 1 226.751 3.355 20 0 BGADMN CC[C@@H](C)N(CC)Cc1ccncc1Cl ZINC000661104812 411708423 /nfs/dbraw/zinc/70/84/23/411708423.db2.gz SMEWVSAAXSVXCN-SNVBAGLBSA-N 0 1 226.751 3.355 20 0 BGADMN CCCCc1noc(CN(CC)[C@H](C)CC)n1 ZINC000661105414 411710661 /nfs/dbraw/zinc/71/06/61/411710661.db2.gz GZUPFGPTPYIFTI-LLVKDONJSA-N 0 1 239.363 3.033 20 0 BGADMN CCCCc1noc(CN(CC)[C@@H](C)CC)n1 ZINC000661105415 411710596 /nfs/dbraw/zinc/71/05/96/411710596.db2.gz GZUPFGPTPYIFTI-NSHDSACASA-N 0 1 239.363 3.033 20 0 BGADMN CC[C@@H](C)N(CC)Cc1noc2c1CCCC2 ZINC000661106833 410253285 /nfs/dbraw/zinc/25/32/85/410253285.db2.gz LHSRIEKEELZUDK-LLVKDONJSA-N 0 1 236.359 3.174 20 0 BGADMN CC[C@H](C)N(CC)Cc1noc2c1CCCC2 ZINC000661106834 410254267 /nfs/dbraw/zinc/25/42/67/410254267.db2.gz LHSRIEKEELZUDK-NSHDSACASA-N 0 1 236.359 3.174 20 0 BGADMN CCc1nc(CN(CC)[C@@H](C)CC)cs1 ZINC000661108200 411710095 /nfs/dbraw/zinc/71/00/95/411710095.db2.gz WMVRZHPHYSZNOF-JTQLQIEISA-N 0 1 226.389 3.326 20 0 BGADMN CCc1nc(CN(CC)[C@H](C)CC)cs1 ZINC000661108201 411711521 /nfs/dbraw/zinc/71/15/21/411711521.db2.gz WMVRZHPHYSZNOF-SNVBAGLBSA-N 0 1 226.389 3.326 20 0 BGADMN CC[C@H](C)N(CC)Cc1ncc(C2CC2)o1 ZINC000661108308 411710689 /nfs/dbraw/zinc/71/06/89/411710689.db2.gz REWOWFMWVOJHNI-JTQLQIEISA-N 0 1 222.332 3.172 20 0 BGADMN CC[C@@H](C)N(CC)Cc1ncc(C2CC2)o1 ZINC000661108309 411710888 /nfs/dbraw/zinc/71/08/88/411710888.db2.gz REWOWFMWVOJHNI-SNVBAGLBSA-N 0 1 222.332 3.172 20 0 BGADMN CC(C)(C)N(Cc1ccsc1)Cc1cn[nH]c1 ZINC000661137087 411716912 /nfs/dbraw/zinc/71/69/12/411716912.db2.gz ZCMWTKJIBSIOJT-UHFFFAOYSA-N 0 1 249.383 3.272 20 0 BGADMN FC(F)(F)CCN1CCC(c2ccco2)CC1 ZINC000661161147 410312183 /nfs/dbraw/zinc/31/21/83/410312183.db2.gz LMCJQQJWCNNGBK-UHFFFAOYSA-N 0 1 247.260 3.411 20 0 BGADMN c1coc(C2CCN(Cc3cncs3)CC2)c1 ZINC000661161572 411723525 /nfs/dbraw/zinc/72/35/25/411723525.db2.gz VCLSHUAASKVRAL-UHFFFAOYSA-N 0 1 248.351 3.116 20 0 BGADMN c1coc(C2CCN(Cc3ccccn3)CC2)c1 ZINC000661162721 411723693 /nfs/dbraw/zinc/72/36/93/411723693.db2.gz FXFXHYUSOYOJNC-UHFFFAOYSA-N 0 1 242.322 3.054 20 0 BGADMN c1coc(C2CCN(Cc3ccncc3)CC2)c1 ZINC000661164025 411723606 /nfs/dbraw/zinc/72/36/06/411723606.db2.gz SIDWFEOADSHWBI-UHFFFAOYSA-N 0 1 242.322 3.054 20 0 BGADMN c1coc(C2CCN(Cc3cccnc3)CC2)c1 ZINC000661164290 411723812 /nfs/dbraw/zinc/72/38/12/411723812.db2.gz UOWHSRXDYPHKGM-UHFFFAOYSA-N 0 1 242.322 3.054 20 0 BGADMN c1cc(CN2CCCC3(CCCC3)CC2)no1 ZINC000661229564 411735850 /nfs/dbraw/zinc/73/58/50/411735850.db2.gz JOFLGMTZYUUTBS-UHFFFAOYSA-N 0 1 234.343 3.221 20 0 BGADMN c1cnc(CN2CCCC3(CCCC3)CC2)nc1 ZINC000661230872 411738128 /nfs/dbraw/zinc/73/81/28/411738128.db2.gz FYRCQCLBNVRPHJ-UHFFFAOYSA-N 0 1 245.370 3.023 20 0 BGADMN CCC(C)(C)[C@H](C)NCc1ncc(C2CC2)o1 ZINC000661231183 411738057 /nfs/dbraw/zinc/73/80/57/411738057.db2.gz IQXUKONBPKUKOU-JTQLQIEISA-N 0 1 236.359 3.466 20 0 BGADMN CCC(C)(C)[C@@H](C)NCc1ncc(C2CC2)o1 ZINC000661231184 411737424 /nfs/dbraw/zinc/73/74/24/411737424.db2.gz IQXUKONBPKUKOU-SNVBAGLBSA-N 0 1 236.359 3.466 20 0 BGADMN CCc1cnc(CN[C@@H](C)C(C)(C)CC)o1 ZINC000661232619 411737877 /nfs/dbraw/zinc/73/78/77/411737877.db2.gz JSVLZYIGXIDHKH-JTQLQIEISA-N 0 1 224.348 3.151 20 0 BGADMN CCc1cnc(CN[C@H](C)C(C)(C)CC)o1 ZINC000661232620 411737103 /nfs/dbraw/zinc/73/71/03/411737103.db2.gz JSVLZYIGXIDHKH-SNVBAGLBSA-N 0 1 224.348 3.151 20 0 BGADMN CCC(C)(C)[C@H](C)NCc1nnc(C(C)C)o1 ZINC000661233084 411737222 /nfs/dbraw/zinc/73/72/22/411737222.db2.gz URVIGMFIXLUGRF-JTQLQIEISA-N 0 1 239.363 3.107 20 0 BGADMN CCC(C)(C)[C@@H](C)NCc1nnc(C(C)C)o1 ZINC000661233085 411738253 /nfs/dbraw/zinc/73/82/53/411738253.db2.gz URVIGMFIXLUGRF-SNVBAGLBSA-N 0 1 239.363 3.107 20 0 BGADMN CCC(C)(C)[C@@H](C)NCc1nc(C)c(C)o1 ZINC000661234591 411739439 /nfs/dbraw/zinc/73/94/39/411739439.db2.gz ODPCFLOJWUJHGX-LLVKDONJSA-N 0 1 224.348 3.206 20 0 BGADMN CCC(C)(C)[C@H](C)NCc1nc(C)c(C)o1 ZINC000661234593 411739064 /nfs/dbraw/zinc/73/90/64/411739064.db2.gz ODPCFLOJWUJHGX-NSHDSACASA-N 0 1 224.348 3.206 20 0 BGADMN CCC(C)(C)[C@H](C)NCc1nc(C(C)C)no1 ZINC000661235531 411739512 /nfs/dbraw/zinc/73/95/12/411739512.db2.gz OSKDQHBQJPMUNC-JTQLQIEISA-N 0 1 239.363 3.107 20 0 BGADMN CCC(C)(C)[C@@H](C)NCc1nc(C(C)C)no1 ZINC000661235532 411738736 /nfs/dbraw/zinc/73/87/36/411738736.db2.gz OSKDQHBQJPMUNC-SNVBAGLBSA-N 0 1 239.363 3.107 20 0 BGADMN Cc1ccc2c(c1)CN(CCC(F)(F)F)CC2 ZINC000661372126 411757408 /nfs/dbraw/zinc/75/74/08/411757408.db2.gz XMYMPEKTJOIJDC-UHFFFAOYSA-N 0 1 243.272 3.306 20 0 BGADMN Cc1nc(CN2CCC(C3CCC3)CC2)c(C)o1 ZINC000661373728 411758540 /nfs/dbraw/zinc/75/85/40/411758540.db2.gz FPLFZVBXGSGQGM-UHFFFAOYSA-N 0 1 248.370 3.304 20 0 BGADMN Fc1cncc(CN2CCC(C3CCC3)CC2)c1 ZINC000661373805 411759010 /nfs/dbraw/zinc/75/90/10/411759010.db2.gz HWSQMHYDAPTEGJ-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN Fc1cnccc1CN1CCC(C2CCC2)CC1 ZINC000661374726 411759143 /nfs/dbraw/zinc/75/91/43/411759143.db2.gz PCBFERGCHBPCOZ-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN Cc1nc(CN2CCC(C3CCC3)CC2)oc1C ZINC000661377063 411760567 /nfs/dbraw/zinc/76/05/67/411760567.db2.gz RLFTUFJHSURQKM-UHFFFAOYSA-N 0 1 248.370 3.304 20 0 BGADMN CC/C=C\CCN[C@@H](C)c1cscn1 ZINC000661421643 411771724 /nfs/dbraw/zinc/77/17/24/411771724.db2.gz VVVLIMMAYUEQMG-LWTINBJPSA-N 0 1 210.346 3.150 20 0 BGADMN CC/C=C/CCN[C@H](C)c1cscn1 ZINC000661421644 411772284 /nfs/dbraw/zinc/77/22/84/411772284.db2.gz VVVLIMMAYUEQMG-ORAHPGNNSA-N 0 1 210.346 3.150 20 0 BGADMN CC/C=C\CCN[C@H](C)c1cscn1 ZINC000661421645 411771704 /nfs/dbraw/zinc/77/17/04/411771704.db2.gz VVVLIMMAYUEQMG-UMCURTJPSA-N 0 1 210.346 3.150 20 0 BGADMN CC/C=C/CCN[C@@H](C)c1cscn1 ZINC000661421646 411772250 /nfs/dbraw/zinc/77/22/50/411772250.db2.gz VVVLIMMAYUEQMG-YEZKRMTDSA-N 0 1 210.346 3.150 20 0 BGADMN CCOCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435382 411775654 /nfs/dbraw/zinc/77/56/54/411775654.db2.gz FZPLZXNXJLFWOA-AWEZNQCLSA-N 0 1 249.354 3.233 20 0 BGADMN CCOCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435383 411776033 /nfs/dbraw/zinc/77/60/33/411776033.db2.gz FZPLZXNXJLFWOA-CQSZACIVSA-N 0 1 249.354 3.233 20 0 BGADMN CO[C@@H](C)CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661437524 411776305 /nfs/dbraw/zinc/77/63/05/411776305.db2.gz LYZWMCQSENGOLX-GXTWGEPZSA-N 0 1 249.354 3.232 20 0 BGADMN CO[C@@H](C)CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661437526 411775258 /nfs/dbraw/zinc/77/52/58/411775258.db2.gz LYZWMCQSENGOLX-JSGCOSHPSA-N 0 1 249.354 3.232 20 0 BGADMN CO[C@H](C)CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661437529 411776250 /nfs/dbraw/zinc/77/62/50/411776250.db2.gz LYZWMCQSENGOLX-OCCSQVGLSA-N 0 1 249.354 3.232 20 0 BGADMN CO[C@H](C)CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661437532 411776375 /nfs/dbraw/zinc/77/63/75/411776375.db2.gz LYZWMCQSENGOLX-TZMCWYRMSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@H](C)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661447688 411780036 /nfs/dbraw/zinc/78/00/36/411780036.db2.gz XPMGHDLCILTWTO-GXTWGEPZSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661447688 411780031 /nfs/dbraw/zinc/78/00/31/411780031.db2.gz XPMGHDLCILTWTO-GXTWGEPZSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@H](C)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661447689 411779625 /nfs/dbraw/zinc/77/96/25/411779625.db2.gz XPMGHDLCILTWTO-JSGCOSHPSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@H](C)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661447689 411779622 /nfs/dbraw/zinc/77/96/22/411779622.db2.gz XPMGHDLCILTWTO-JSGCOSHPSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@@H](C)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661447690 411780380 /nfs/dbraw/zinc/78/03/80/411780380.db2.gz XPMGHDLCILTWTO-OCCSQVGLSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@@H](C)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661447690 411780377 /nfs/dbraw/zinc/78/03/77/411780377.db2.gz XPMGHDLCILTWTO-OCCSQVGLSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@@H](C)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661447691 411780181 /nfs/dbraw/zinc/78/01/81/411780181.db2.gz XPMGHDLCILTWTO-TZMCWYRMSA-N 0 1 249.354 3.232 20 0 BGADMN COC[C@@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661447691 411780175 /nfs/dbraw/zinc/78/01/75/411780175.db2.gz XPMGHDLCILTWTO-TZMCWYRMSA-N 0 1 249.354 3.232 20 0 BGADMN Cc1ccc(CN2CC3(CCC3)OC[C@@H]2C)cc1 ZINC000661471470 411784744 /nfs/dbraw/zinc/78/47/44/411784744.db2.gz GKRHFTUEJBBTBU-AWEZNQCLSA-N 0 1 245.366 3.138 20 0 BGADMN Cc1ccc(CN2CC3(CCC3)OC[C@H]2C)cc1 ZINC000661471471 411785141 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Fc1ccc(CN2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000661967155 411923993 /nfs/dbraw/zinc/92/39/93/411923993.db2.gz CCZSFABLVAOWQL-MWLCHTKSSA-N 0 1 239.721 3.321 20 0 BGADMN Fc1ccc(CN2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000661967156 411923906 /nfs/dbraw/zinc/92/39/06/411923906.db2.gz CCZSFABLVAOWQL-ONGXEEELSA-N 0 1 239.721 3.321 20 0 BGADMN Clc1sccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661967490 411926113 /nfs/dbraw/zinc/92/61/13/411926113.db2.gz PHWROPFEVKEELO-PSASIEDQSA-N 0 1 227.760 3.243 20 0 BGADMN Clc1sccc1CN1CC[C@H]2C[C@H]2C1 ZINC000661967494 411926016 /nfs/dbraw/zinc/92/60/16/411926016.db2.gz PHWROPFEVKEELO-WPRPVWTQSA-N 0 1 227.760 3.243 20 0 BGADMN Clc1ccsc1CN1CC[C@H]2C[C@H]2C1 ZINC000661967527 411925763 /nfs/dbraw/zinc/92/57/63/411925763.db2.gz PQKRJOWSKOPYEM-IUCAKERBSA-N 0 1 227.760 3.243 20 0 BGADMN Clc1ccsc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661967528 411925174 /nfs/dbraw/zinc/92/51/74/411925174.db2.gz PQKRJOWSKOPYEM-RKDXNWHRSA-N 0 1 227.760 3.243 20 0 BGADMN Fc1cc(CN2CC[C@@H]3C[C@@H]3C2)ccc1Cl ZINC000661967813 411925674 /nfs/dbraw/zinc/92/56/74/411925674.db2.gz GFYIUXLYWGAYTJ-GHMZBOCLSA-N 0 1 239.721 3.321 20 0 BGADMN Fc1cc(CN2CC[C@H]3C[C@H]3C2)ccc1Cl ZINC000661967816 411926048 /nfs/dbraw/zinc/92/60/48/411926048.db2.gz GFYIUXLYWGAYTJ-QWRGUYRKSA-N 0 1 239.721 3.321 20 0 BGADMN c1ccc2sc(CN3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000661968580 411338241 /nfs/dbraw/zinc/33/82/41/411338241.db2.gz YTGDZHHYTVWZQF-GHMZBOCLSA-N 0 1 244.363 3.138 20 0 BGADMN c1ccc2sc(CN3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000661968582 411338279 /nfs/dbraw/zinc/33/82/79/411338279.db2.gz YTGDZHHYTVWZQF-QWRGUYRKSA-N 0 1 244.363 3.138 20 0 BGADMN Fc1c(Cl)cccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661969445 411338289 /nfs/dbraw/zinc/33/82/89/411338289.db2.gz JMUZPOKMQLCQOP-MWLCHTKSSA-N 0 1 239.721 3.321 20 0 BGADMN Fc1c(Cl)cccc1CN1CC[C@H]2C[C@H]2C1 ZINC000661969448 411338079 /nfs/dbraw/zinc/33/80/79/411338079.db2.gz JMUZPOKMQLCQOP-ONGXEEELSA-N 0 1 239.721 3.321 20 0 BGADMN Clc1ccc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000661970348 411926881 /nfs/dbraw/zinc/92/68/81/411926881.db2.gz KZKBNBQUHDNIKT-IUCAKERBSA-N 0 1 227.760 3.243 20 0 BGADMN Clc1ccc(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661970350 411927034 /nfs/dbraw/zinc/92/70/34/411927034.db2.gz KZKBNBQUHDNIKT-RKDXNWHRSA-N 0 1 227.760 3.243 20 0 BGADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H]2C[C@@H]2C1 ZINC000661971568 411927448 /nfs/dbraw/zinc/92/74/48/411927448.db2.gz JMLVGQVNLMMWJX-GMTAPVOTSA-N 0 1 237.293 3.368 20 0 BGADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H]2C[C@H]2C1 ZINC000661971572 411339716 /nfs/dbraw/zinc/33/97/16/411339716.db2.gz JMLVGQVNLMMWJX-VWYCJHECSA-N 0 1 237.293 3.368 20 0 BGADMN Fc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000661972364 411928527 /nfs/dbraw/zinc/92/85/27/411928527.db2.gz PRWNATRSWMZTLN-GHMZBOCLSA-N 0 1 239.721 3.321 20 0 BGADMN Fc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000661972366 411928561 /nfs/dbraw/zinc/92/85/61/411928561.db2.gz PRWNATRSWMZTLN-QWRGUYRKSA-N 0 1 239.721 3.321 20 0 BGADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H]2C[C@@H]2C1 ZINC000661974879 411930588 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/nfs/dbraw/zinc/93/77/60/411937760.db2.gz HHPIRYNLJDDVQB-UHFFFAOYSA-N 0 1 249.398 3.234 20 0 BGADMN CCC(CC)CCCN(C)Cc1ccno1 ZINC000662036455 411952789 /nfs/dbraw/zinc/95/27/89/411952789.db2.gz IBLQVNIJOMEAGE-UHFFFAOYSA-N 0 1 224.348 3.323 20 0 BGADMN CCC(CC)CCCN(C)Cc1c[nH]cn1 ZINC000662037124 411953129 /nfs/dbraw/zinc/95/31/29/411953129.db2.gz KVYZOWPONMXDLA-UHFFFAOYSA-N 0 1 223.364 3.058 20 0 BGADMN c1nc(CN2CCC[C@@H](C3CCC3)C2)cs1 ZINC000662037190 411951959 /nfs/dbraw/zinc/95/19/59/411951959.db2.gz GSXSXMUXZUXWTC-GFCCVEGCSA-N 0 1 236.384 3.155 20 0 BGADMN c1nc(CN2CCC[C@H](C3CCC3)C2)cs1 ZINC000662037191 411952378 /nfs/dbraw/zinc/95/23/78/411952378.db2.gz GSXSXMUXZUXWTC-LBPRGKRZSA-N 0 1 236.384 3.155 20 0 BGADMN CCC(CC)CCCN(C)Cc1cc[nH]n1 ZINC000662038104 411955635 /nfs/dbraw/zinc/95/56/35/411955635.db2.gz NZTNODLBTAUVBJ-UHFFFAOYSA-N 0 1 223.364 3.058 20 0 BGADMN CCC(CC)CCCN(C)Cc1ccnn1C ZINC000662039515 411956285 /nfs/dbraw/zinc/95/62/85/411956285.db2.gz WSGFJZJHJXTLMB-UHFFFAOYSA-N 0 1 237.391 3.068 20 0 BGADMN CCC(CC)CCCN(C)Cc1cn(C)cn1 ZINC000662039984 411958015 /nfs/dbraw/zinc/95/80/15/411958015.db2.gz XWSAZTWWXAYOJG-UHFFFAOYSA-N 0 1 237.391 3.068 20 0 BGADMN CCC(CC)CCCN(C)Cc1ccn(C)n1 ZINC000662040032 411957669 /nfs/dbraw/zinc/95/76/69/411957669.db2.gz YSAXGBABWMQILL-UHFFFAOYSA-N 0 1 237.391 3.068 20 0 BGADMN c1csc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000662041868 411957907 /nfs/dbraw/zinc/95/79/07/411957907.db2.gz DASPSIKZRGHSAX-GFCCVEGCSA-N 0 1 236.384 3.155 20 0 BGADMN c1csc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000662041870 411958931 /nfs/dbraw/zinc/95/89/31/411958931.db2.gz DASPSIKZRGHSAX-LBPRGKRZSA-N 0 1 236.384 3.155 20 0 BGADMN Cc1nc(CN2CCC[C@H](C3CCC3)C2)oc1C ZINC000662044464 411963572 /nfs/dbraw/zinc/96/35/72/411963572.db2.gz NXINFAGJURGZTF-AWEZNQCLSA-N 0 1 248.370 3.304 20 0 BGADMN Cc1nc(CN2CCC[C@@H](C3CCC3)C2)oc1C ZINC000662044466 411963258 /nfs/dbraw/zinc/96/32/58/411963258.db2.gz NXINFAGJURGZTF-CQSZACIVSA-N 0 1 248.370 3.304 20 0 BGADMN CCc1cnc(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000662045449 411963983 /nfs/dbraw/zinc/96/39/83/411963983.db2.gz UAJXELCFHLTLRH-CYBMUJFWSA-N 0 1 248.370 3.249 20 0 BGADMN CCc1cnc(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000662045453 488121104 /nfs/dbraw/zinc/12/11/04/488121104.db2.gz UAJXELCFHLTLRH-ZDUSSCGKSA-N 0 1 248.370 3.249 20 0 BGADMN c1cc(C2CCN(Cc3ccsc3)CC2)no1 ZINC000662048668 411965327 /nfs/dbraw/zinc/96/53/27/411965327.db2.gz INTWLEMERLJHFV-UHFFFAOYSA-N 0 1 248.351 3.116 20 0 BGADMN CC(C)CC1(NCc2nc3ccccc3o2)CC1 ZINC000662068952 411357056 /nfs/dbraw/zinc/35/70/56/411357056.db2.gz CZGARFIXPMEWRE-UHFFFAOYSA-N 0 1 244.338 3.496 20 0 BGADMN CC(C)CC1(NCc2noc3c2CCCC3)CC1 ZINC000662069759 411972265 /nfs/dbraw/zinc/97/22/65/411972265.db2.gz NLIBREJJJOJUMB-UHFFFAOYSA-N 0 1 248.370 3.222 20 0 BGADMN CC(C)CC1(NCc2ncc(C3CC3)o2)CC1 ZINC000662070809 411972702 /nfs/dbraw/zinc/97/27/02/411972702.db2.gz GULVZLDFMVPUEQ-UHFFFAOYSA-N 0 1 234.343 3.220 20 0 BGADMN Cc1nnc([C@@H](C)NC2(CC(C)C)CC2)s1 ZINC000662073454 411973712 /nfs/dbraw/zinc/97/37/12/411973712.db2.gz ZUFUIYOKIIVANT-SECBINFHSA-N 0 1 239.388 3.076 20 0 BGADMN Cc1nnc([C@H](C)NC2(CC(C)C)CC2)s1 ZINC000662073455 411974040 /nfs/dbraw/zinc/97/40/40/411974040.db2.gz ZUFUIYOKIIVANT-VIFPVBQESA-N 0 1 239.388 3.076 20 0 BGADMN Cc1cnc([C@@H](C)NC2(CC(C)C)CC2)o1 ZINC000662073458 411974944 /nfs/dbraw/zinc/97/49/44/411974944.db2.gz ZWWNHPCXGMRCHW-LLVKDONJSA-N 0 1 222.332 3.212 20 0 BGADMN Cc1cnc([C@H](C)NC2(CC(C)C)CC2)o1 ZINC000662073459 411974691 /nfs/dbraw/zinc/97/46/91/411974691.db2.gz ZWWNHPCXGMRCHW-NSHDSACASA-N 0 1 222.332 3.212 20 0 BGADMN CC(C)CCCN1CCOc2ccc(O)cc2C1 ZINC000662093056 411985429 /nfs/dbraw/zinc/98/54/29/411985429.db2.gz NWRZEPXTSCMJSZ-UHFFFAOYSA-N 0 1 249.354 3.023 20 0 BGADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ncc(C2CC2)o1 ZINC000662129427 411996551 /nfs/dbraw/zinc/99/65/51/411996551.db2.gz DAURQNZQIMDUIY-VGPLMAKISA-N 0 1 246.354 3.315 20 0 BGADMN CCCCC[C@H]1CCCCN1Cc1ncccn1 ZINC000662155669 412010230 /nfs/dbraw/zinc/01/02/30/412010230.db2.gz MTAGNEYIVADZKH-AWEZNQCLSA-N 0 1 247.386 3.411 20 0 BGADMN CCCCC[C@@H]1CCCCN1Cc1ncccn1 ZINC000662155672 412011531 /nfs/dbraw/zinc/01/15/31/412011531.db2.gz MTAGNEYIVADZKH-CQSZACIVSA-N 0 1 247.386 3.411 20 0 BGADMN c1cnc(CN2CCCC[C@H]2CC2CCC2)nc1 ZINC000662155758 412010513 /nfs/dbraw/zinc/01/05/13/412010513.db2.gz ICDIPUZTMCWPDT-AWEZNQCLSA-N 0 1 245.370 3.021 20 0 BGADMN c1cnc(CN2CCCC[C@@H]2CC2CCC2)nc1 ZINC000662155903 412010468 /nfs/dbraw/zinc/01/04/68/412010468.db2.gz ICDIPUZTMCWPDT-CQSZACIVSA-N 0 1 245.370 3.021 20 0 BGADMN CC[C@@H]1CCC[C@H](C)N1Cc1nc(C2CC2)no1 ZINC000662156944 412010527 /nfs/dbraw/zinc/01/05/27/412010527.db2.gz GDCGBZOTYUEPFJ-CMPLNLGQSA-N 0 1 249.358 3.100 20 0 BGADMN CCCCC[C@H]1CCCCN1Cc1nccn1C ZINC000662157086 411369196 /nfs/dbraw/zinc/36/91/96/411369196.db2.gz SZUDDMCFJVPPJD-AWEZNQCLSA-N 0 1 249.402 3.355 20 0 BGADMN CCCCC[C@@H]1CCCCN1Cc1nccn1C ZINC000662157091 411369388 /nfs/dbraw/zinc/36/93/88/411369388.db2.gz SZUDDMCFJVPPJD-CQSZACIVSA-N 0 1 249.402 3.355 20 0 BGADMN CCc1cnc(CN2[C@H](CC)CCC[C@@H]2C)o1 ZINC000662157122 412011226 /nfs/dbraw/zinc/01/12/26/412011226.db2.gz IPSMPNJKJBKPAR-NWDGAFQWSA-N 0 1 236.359 3.390 20 0 BGADMN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(C2CC2)o1 ZINC000662157674 412011181 /nfs/dbraw/zinc/01/11/81/412011181.db2.gz MUFMBPMIVORZMZ-CMPLNLGQSA-N 0 1 249.358 3.100 20 0 BGADMN c1nc(CN(CCC2CC2)CC2CC2)cs1 ZINC000662179513 412021131 /nfs/dbraw/zinc/02/11/31/412021131.db2.gz GJKBNQJRDKJAKI-UHFFFAOYSA-N 0 1 236.384 3.155 20 0 BGADMN c1c[nH]c(CN2CCC[C@H](C3CCCCC3)C2)n1 ZINC000662200646 411375809 /nfs/dbraw/zinc/37/58/09/411375809.db2.gz ICEKNGLNFJHLOK-AWEZNQCLSA-N 0 1 247.386 3.202 20 0 BGADMN c1c[nH]c(CN2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000662200647 411375285 /nfs/dbraw/zinc/37/52/85/411375285.db2.gz ICEKNGLNFJHLOK-CQSZACIVSA-N 0 1 247.386 3.202 20 0 BGADMN c1cc(CN2CCC[C@H](C3CCCCC3)C2)n[nH]1 ZINC000662202463 412024739 /nfs/dbraw/zinc/02/47/39/412024739.db2.gz UDCYYOZNKIGIHG-AWEZNQCLSA-N 0 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234.343 3.104 20 0 BGADMN CC[C@@H](COC)Nc1nccc(C)c1C1CC1 ZINC000668512441 487871569 /nfs/dbraw/zinc/87/15/69/487871569.db2.gz RJJXSTJKQLXJEW-LBPRGKRZSA-N 0 1 234.343 3.104 20 0 BGADMN Cc1ccnc(N[C@H]2COC(C)(C)C2)c1C1CC1 ZINC000668512498 487873263 /nfs/dbraw/zinc/87/32/63/487873263.db2.gz SBDZGLPZWLKDMP-GFCCVEGCSA-N 0 1 246.354 3.247 20 0 BGADMN Cc1ccnc(N[C@@H]2COC(C)(C)C2)c1C1CC1 ZINC000668512500 487872855 /nfs/dbraw/zinc/87/28/55/487872855.db2.gz SBDZGLPZWLKDMP-LBPRGKRZSA-N 0 1 246.354 3.247 20 0 BGADMN Cc1ccnc(NC[C@H]2C[C@@H]2C)c1C1CC1 ZINC000668512655 487873372 /nfs/dbraw/zinc/87/33/72/487873372.db2.gz UJKNNPSDXXUKJX-CMPLNLGQSA-N 0 1 216.328 3.335 20 0 BGADMN Cc1ccnc(NC[C@@H]2C[C@@H]2C)c1C1CC1 ZINC000668512657 487872866 /nfs/dbraw/zinc/87/28/66/487872866.db2.gz UJKNNPSDXXUKJX-JQWIXIFHSA-N 0 1 216.328 3.335 20 0 BGADMN Cc1ccnc(NC[C@@H]2C[C@H]2C)c1C1CC1 ZINC000668512659 487873446 /nfs/dbraw/zinc/87/34/46/487873446.db2.gz UJKNNPSDXXUKJX-PWSUYJOCSA-N 0 1 216.328 3.335 20 0 BGADMN Cc1ccnc(NC[C@H]2C[C@H]2C)c1C1CC1 ZINC000668512664 487872999 /nfs/dbraw/zinc/87/29/99/487872999.db2.gz UJKNNPSDXXUKJX-ZYHUDNBSSA-N 0 1 216.328 3.335 20 0 BGADMN Cc1ccnc(N[C@@H]2CCCOCC2)c1C1CC1 ZINC000668512769 487873240 /nfs/dbraw/zinc/87/32/40/487873240.db2.gz VAFZDLMTISRCJS-CYBMUJFWSA-N 0 1 246.354 3.248 20 0 BGADMN Cc1ccnc(N[C@H]2CCCOCC2)c1C1CC1 ZINC000668512773 487873100 /nfs/dbraw/zinc/87/31/00/487873100.db2.gz VAFZDLMTISRCJS-ZDUSSCGKSA-N 0 1 246.354 3.248 20 0 BGADMN Cc1ccnc(N[C@@H]2CCSC2)c1C1CC1 ZINC000668512884 487873353 /nfs/dbraw/zinc/87/33/53/487873353.db2.gz QXAXFYZCLPWDLD-LLVKDONJSA-N 0 1 234.368 3.185 20 0 BGADMN Cc1ccnc(N[C@H]2CCSC2)c1C1CC1 ZINC000668512889 487873088 /nfs/dbraw/zinc/87/30/88/487873088.db2.gz QXAXFYZCLPWDLD-NSHDSACASA-N 0 1 234.368 3.185 20 0 BGADMN CCOC1CC(Nc2nccc(C)c2C2CC2)C1 ZINC000668513472 487875193 /nfs/dbraw/zinc/87/51/93/487875193.db2.gz RHUZYAPDQXXGMH-UHFFFAOYSA-N 0 1 246.354 3.247 20 0 BGADMN c1nc(CN2CC[C@@H](C3CCCCC3)C2)co1 ZINC000668535741 487899005 /nfs/dbraw/zinc/89/90/05/487899005.db2.gz JZVMZEHLRFWVGH-CYBMUJFWSA-N 0 1 234.343 3.077 20 0 BGADMN c1nc(CN2CC[C@H](C3CCCCC3)C2)co1 ZINC000668535742 487898608 /nfs/dbraw/zinc/89/86/08/487898608.db2.gz JZVMZEHLRFWVGH-ZDUSSCGKSA-N 0 1 234.343 3.077 20 0 BGADMN CCC1(CC)CCCN(Cc2cocn2)C1 ZINC000668589607 487972952 /nfs/dbraw/zinc/97/29/52/487972952.db2.gz PTECBKZMOPGXCC-UHFFFAOYSA-N 0 1 222.332 3.077 20 0 BGADMN Cc1ccc(CC2CN(Cc3ccco3)C2)cc1 ZINC000668608437 488001388 /nfs/dbraw/zinc/00/13/88/488001388.db2.gz QBYOXEADMCPURS-UHFFFAOYSA-N 0 1 241.334 3.263 20 0 BGADMN Fc1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000668677073 488100925 /nfs/dbraw/zinc/10/09/25/488100925.db2.gz IGPBJIDHPNMIAW-GHMZBOCLSA-N 0 1 239.721 3.321 20 0 BGADMN Fc1cc(Cl)cc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000668677075 488100712 /nfs/dbraw/zinc/10/07/12/488100712.db2.gz IGPBJIDHPNMIAW-QWRGUYRKSA-N 0 1 239.721 3.321 20 0 BGADMN Clc1cscc1CN1CC[C@H]2C[C@H]2C1 ZINC000668677593 490516038 /nfs/dbraw/zinc/51/60/38/490516038.db2.gz TWLHSUCLQXQAPP-IUCAKERBSA-N 0 1 227.760 3.243 20 0 BGADMN Clc1cscc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668677594 490516178 /nfs/dbraw/zinc/51/61/78/490516178.db2.gz TWLHSUCLQXQAPP-RKDXNWHRSA-N 0 1 227.760 3.243 20 0 BGADMN Cc1cc(F)c(CN2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000668679037 488105590 /nfs/dbraw/zinc/10/55/90/488105590.db2.gz XYQHDRVTPCKGKG-GHMZBOCLSA-N 0 1 237.293 3.115 20 0 BGADMN Cc1cc(F)c(CN2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000668679039 488105711 /nfs/dbraw/zinc/10/57/11/488105711.db2.gz XYQHDRVTPCKGKG-QWRGUYRKSA-N 0 1 237.293 3.115 20 0 BGADMN CCC(CC)CCCN(C)Cc1n[nH]cc1C ZINC000668712792 488155179 /nfs/dbraw/zinc/15/51/79/488155179.db2.gz BCLUIVIKNWABEY-UHFFFAOYSA-N 0 1 237.391 3.366 20 0 BGADMN CCC(CC)CCC[N@@H+](C)Cc1n[nH]cc1C ZINC000668712792 488155168 /nfs/dbraw/zinc/15/51/68/488155168.db2.gz BCLUIVIKNWABEY-UHFFFAOYSA-N 0 1 237.391 3.366 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668748311 487476290 /nfs/dbraw/zinc/47/62/90/487476290.db2.gz TTYHVKLZLGJDBN-OUAUKWLOSA-N 0 1 231.330 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668748312 487476464 /nfs/dbraw/zinc/47/64/64/487476464.db2.gz TTYHVKLZLGJDBN-VWYCJHECSA-N 0 1 231.330 3.446 20 0 BGADMN C[C@@H]1CSC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000668748460 487476322 /nfs/dbraw/zinc/47/63/22/487476322.db2.gz VIIPMKNBARZPPP-BDAKNGLRSA-N 0 1 237.359 3.009 20 0 BGADMN C[C@H]1CSC[C@H]1NCC(F)(F)C(C)(C)C ZINC000668748462 487476468 /nfs/dbraw/zinc/47/64/68/487476468.db2.gz VIIPMKNBARZPPP-DTWKUNHWSA-N 0 1 237.359 3.009 20 0 BGADMN C[C@H]1CSC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000668748463 487476441 /nfs/dbraw/zinc/47/64/41/487476441.db2.gz VIIPMKNBARZPPP-IUCAKERBSA-N 0 1 237.359 3.009 20 0 BGADMN C[C@@H]1CSC[C@H]1NCC(F)(F)C(C)(C)C ZINC000668748464 487476436 /nfs/dbraw/zinc/47/64/36/487476436.db2.gz VIIPMKNBARZPPP-RKDXNWHRSA-N 0 1 237.359 3.009 20 0 BGADMN c1nc(CN2CCC[C@H](C3CCCCC3)C2)co1 ZINC000668754624 487487930 /nfs/dbraw/zinc/48/79/30/487487930.db2.gz MGAHAQNXYAWJBZ-AWEZNQCLSA-N 0 1 248.370 3.467 20 0 BGADMN c1nc(CN2CCC[C@@H](C3CCCCC3)C2)co1 ZINC000668754625 487487775 /nfs/dbraw/zinc/48/77/75/487487775.db2.gz MGAHAQNXYAWJBZ-CQSZACIVSA-N 0 1 248.370 3.467 20 0 BGADMN CN(Cc1ccc(Cl)o1)CC1=CCSC1 ZINC000668775628 487521699 /nfs/dbraw/zinc/52/16/99/487521699.db2.gz MAPUJRJUFOMSDZ-UHFFFAOYSA-N 0 1 243.759 3.038 20 0 BGADMN CCc1cnc(CN(C)C[C@@H]2CC2(C)C)s1 ZINC000668814939 487582746 /nfs/dbraw/zinc/58/27/46/487582746.db2.gz YZIVOJPADMOSKD-JTQLQIEISA-N 0 1 238.400 3.183 20 0 BGADMN CCc1cnc(CN(C)C[C@H]2CC2(C)C)s1 ZINC000668814940 487582686 /nfs/dbraw/zinc/58/26/86/487582686.db2.gz YZIVOJPADMOSKD-SNVBAGLBSA-N 0 1 238.400 3.183 20 0 BGADMN C[N@H+](Cc1n[nH]c2ccccc21)C[C@H]1CC1(C)C ZINC000668815072 487583564 /nfs/dbraw/zinc/58/35/64/487583564.db2.gz CZNFRLMZACGIOP-LLVKDONJSA-N 0 1 243.354 3.041 20 0 BGADMN C[N@@H+](Cc1n[nH]c2ccccc21)C[C@H]1CC1(C)C ZINC000668815072 487583560 /nfs/dbraw/zinc/58/35/60/487583560.db2.gz CZNFRLMZACGIOP-LLVKDONJSA-N 0 1 243.354 3.041 20 0 BGADMN C[N@H+](Cc1n[nH]c2ccccc21)C[C@@H]1CC1(C)C ZINC000668815073 487584169 /nfs/dbraw/zinc/58/41/69/487584169.db2.gz CZNFRLMZACGIOP-NSHDSACASA-N 0 1 243.354 3.041 20 0 BGADMN C[N@@H+](Cc1n[nH]c2ccccc21)C[C@@H]1CC1(C)C ZINC000668815073 487584164 /nfs/dbraw/zinc/58/41/64/487584164.db2.gz CZNFRLMZACGIOP-NSHDSACASA-N 0 1 243.354 3.041 20 0 BGADMN CCC(C)(C)NCc1nc(C(C)(C)C)co1 ZINC000669381425 537996270 /nfs/dbraw/zinc/99/62/70/537996270.db2.gz JHYYLHBXKUUWLN-UHFFFAOYSA-N 0 1 224.348 3.250 20 0 BGADMN CCC(CC)NCc1nc(C(C)(C)C)co1 ZINC000669381441 537996532 /nfs/dbraw/zinc/99/65/32/537996532.db2.gz JYYGKPCCTZZUGW-UHFFFAOYSA-N 0 1 224.348 3.250 20 0 BGADMN C[C@@H](NCc1cocn1)[C@@H]1C[C@H]1c1cccs1 ZINC000669420715 487810832 /nfs/dbraw/zinc/81/08/32/487810832.db2.gz GHNFTMFFKAQWMF-ADEWGFFLSA-N 0 1 248.351 3.018 20 0 BGADMN C[C@H](NCc1cocn1)[C@@H]1C[C@H]1c1cccs1 ZINC000669420719 487811009 /nfs/dbraw/zinc/81/10/09/487811009.db2.gz GHNFTMFFKAQWMF-ZMLRMANQSA-N 0 1 248.351 3.018 20 0 BGADMN COCCCCN(C)Cc1cscc1Cl ZINC000669578009 487598166 /nfs/dbraw/zinc/59/81/66/487598166.db2.gz JNGFOMDJABKFNN-UHFFFAOYSA-N 0 1 247.791 3.260 20 0 BGADMN COc1cccc(CN2CC[C@@H]2C(C)C)c1F ZINC000669709820 584131434 /nfs/dbraw/zinc/13/14/34/584131434.db2.gz LTKGURCJXKKHTG-GFCCVEGCSA-N 0 1 237.318 3.065 20 0 BGADMN COc1cccc(CN2CC[C@H]2C(C)C)c1F ZINC000669709821 584131439 /nfs/dbraw/zinc/13/14/39/584131439.db2.gz LTKGURCJXKKHTG-LBPRGKRZSA-N 0 1 237.318 3.065 20 0 BGADMN COc1cccc(CN2CC(C)=C[C@@H](C)C2)c1F ZINC000669713721 487718057 /nfs/dbraw/zinc/71/80/57/487718057.db2.gz CTXSGPALWMFAHZ-LLVKDONJSA-N 0 1 249.329 3.232 20 0 BGADMN COc1cccc(CN2CC(C)=C[C@H](C)C2)c1F ZINC000669713722 487717950 /nfs/dbraw/zinc/71/79/50/487717950.db2.gz CTXSGPALWMFAHZ-NSHDSACASA-N 0 1 249.329 3.232 20 0 BGADMN COc1cccc(CN2CCC(C)=C(C)C2)c1F ZINC000669713791 487717572 /nfs/dbraw/zinc/71/75/72/487717572.db2.gz PQRCIKSGQRRKBE-UHFFFAOYSA-N 0 1 249.329 3.376 20 0 BGADMN COc1ccc(CN[C@@H](C)c2ccsc2)nc1 ZINC000669938920 487942890 /nfs/dbraw/zinc/94/28/90/487942890.db2.gz DXPPLVMTNBIIMX-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1ccc(CN[C@H](C)c2ccsc2)nc1 ZINC000669938921 487943207 /nfs/dbraw/zinc/94/32/07/487943207.db2.gz DXPPLVMTNBIIMX-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN Fc1cccc2c1CN(CC1CCCC1)CCO2 ZINC000669940819 487947131 /nfs/dbraw/zinc/94/71/31/487947131.db2.gz HDWGUKFTQVPJBA-UHFFFAOYSA-N 0 1 249.329 3.210 20 0 BGADMN CCCCCN1CCOc2cccc(F)c2C1 ZINC000669940911 487947103 /nfs/dbraw/zinc/94/71/03/487947103.db2.gz VBSSMXCNLZGIDN-UHFFFAOYSA-N 0 1 237.318 3.210 20 0 BGADMN Cc1cc(CN(C)C[C@H](C)C(C)(C)C)no1 ZINC000670262414 487858939 /nfs/dbraw/zinc/85/89/39/487858939.db2.gz RKEIAXBZNXCNRX-JTQLQIEISA-N 0 1 224.348 3.097 20 0 BGADMN Cc1cc(CN(C)C[C@@H](C)C(C)(C)C)no1 ZINC000670262415 487859031 /nfs/dbraw/zinc/85/90/31/487859031.db2.gz RKEIAXBZNXCNRX-SNVBAGLBSA-N 0 1 224.348 3.097 20 0 BGADMN C[C@@H](CN(C)Cc1cscn1)C(C)(C)C ZINC000670262958 487860763 /nfs/dbraw/zinc/86/07/63/487860763.db2.gz NPLMSRSAUCNEQV-JTQLQIEISA-N 0 1 226.389 3.257 20 0 BGADMN C[C@H](CN(C)Cc1cscn1)C(C)(C)C ZINC000670262959 487860742 /nfs/dbraw/zinc/86/07/42/487860742.db2.gz NPLMSRSAUCNEQV-SNVBAGLBSA-N 0 1 226.389 3.257 20 0 BGADMN C[C@@H](CN(C)Cc1nccs1)C(C)(C)C ZINC000670264655 487867662 /nfs/dbraw/zinc/86/76/62/487867662.db2.gz KYDXMFLOJYJGSZ-JTQLQIEISA-N 0 1 226.389 3.257 20 0 BGADMN C[C@H](CN(C)Cc1nccs1)C(C)(C)C ZINC000670264656 487867264 /nfs/dbraw/zinc/86/72/64/487867264.db2.gz KYDXMFLOJYJGSZ-SNVBAGLBSA-N 0 1 226.389 3.257 20 0 BGADMN C[C@H](CNc1ccc2n[nH]nc2c1)C(C)(C)C ZINC000670268328 487877947 /nfs/dbraw/zinc/87/79/47/487877947.db2.gz WINGGYZKJLWHGN-SECBINFHSA-N 0 1 232.331 3.052 20 0 BGADMN C[C@H](CNc1ccc2nn[nH]c2c1)C(C)(C)C ZINC000670268328 487877942 /nfs/dbraw/zinc/87/79/42/487877942.db2.gz WINGGYZKJLWHGN-SECBINFHSA-N 0 1 232.331 3.052 20 0 BGADMN C[C@@H](CNc1ccc2n[nH]nc2c1)C(C)(C)C ZINC000670268329 487878104 /nfs/dbraw/zinc/87/81/04/487878104.db2.gz WINGGYZKJLWHGN-VIFPVBQESA-N 0 1 232.331 3.052 20 0 BGADMN C[C@@H](CNc1ccc2nn[nH]c2c1)C(C)(C)C ZINC000670268329 487878101 /nfs/dbraw/zinc/87/81/01/487878101.db2.gz WINGGYZKJLWHGN-VIFPVBQESA-N 0 1 232.331 3.052 20 0 BGADMN CC1CN(Cc2c(Cl)ccc3cccnc32)C1 ZINC000670270628 487886502 /nfs/dbraw/zinc/88/65/02/487886502.db2.gz DEFZKHGNPYQRTR-UHFFFAOYSA-N 0 1 246.741 3.340 20 0 BGADMN Cc1cc(C)cc(CN2CC(C(F)F)C2)c1 ZINC000670982970 491124120 /nfs/dbraw/zinc/12/41/20/491124120.db2.gz SKSDMDOVJKTSAY-UHFFFAOYSA-N 0 1 225.282 3.000 20 0 BGADMN CC[C@@H](NCc1cc(C)ns1)c1ccncc1 ZINC000671126757 487922340 /nfs/dbraw/zinc/92/23/40/487922340.db2.gz VZTZGBHUMIXNII-CYBMUJFWSA-N 0 1 247.367 3.087 20 0 BGADMN CC[C@H](NCc1cc(C)ns1)c1ccncc1 ZINC000671126760 487921959 /nfs/dbraw/zinc/92/19/59/487921959.db2.gz VZTZGBHUMIXNII-ZDUSSCGKSA-N 0 1 247.367 3.087 20 0 BGADMN CN(Cc1ccno1)C(C)(C)c1ccccc1 ZINC000671245502 487888567 /nfs/dbraw/zinc/88/85/67/487888567.db2.gz GKXQOLNXRGSQGR-UHFFFAOYSA-N 0 1 230.311 3.042 20 0 BGADMN Cc1cc(CN(C)C(C)(C)c2ccccc2)on1 ZINC000671246567 487891779 /nfs/dbraw/zinc/89/17/79/487891779.db2.gz UZCKKJFIGJLTDU-UHFFFAOYSA-N 0 1 244.338 3.350 20 0 BGADMN CC/C=C\CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000671703602 487698149 /nfs/dbraw/zinc/69/81/49/487698149.db2.gz RSAPBMRLLMNKLW-NQHOJNORSA-N 0 1 233.359 3.293 20 0 BGADMN CC/C=C\CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000671703602 487698145 /nfs/dbraw/zinc/69/81/45/487698145.db2.gz RSAPBMRLLMNKLW-NQHOJNORSA-N 0 1 233.359 3.293 20 0 BGADMN CC/C=C\CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000671703603 487697564 /nfs/dbraw/zinc/69/75/64/487697564.db2.gz RSAPBMRLLMNKLW-VQTKUKTRSA-N 0 1 233.359 3.293 20 0 BGADMN CC/C=C\CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000671703603 487697558 /nfs/dbraw/zinc/69/75/58/487697558.db2.gz RSAPBMRLLMNKLW-VQTKUKTRSA-N 0 1 233.359 3.293 20 0 BGADMN c1cc2cc(CNCc3ccccn3)ccc2o1 ZINC000671706424 487699521 /nfs/dbraw/zinc/69/95/21/487699521.db2.gz FSVLARNXZHXTBO-UHFFFAOYSA-N 0 1 238.290 3.118 20 0 BGADMN c1cc2cc(CNCc3cncs3)ccc2o1 ZINC000671718409 487708272 /nfs/dbraw/zinc/70/82/72/487708272.db2.gz SUXZNFHHTBHGPN-UHFFFAOYSA-N 0 1 244.319 3.179 20 0 BGADMN CCc1cnc(CN2CCC3(CCC3)CC2)o1 ZINC000671729468 487712308 /nfs/dbraw/zinc/71/23/08/487712308.db2.gz AGUXIDGXWHGRJD-UHFFFAOYSA-N 0 1 234.343 3.003 20 0 BGADMN Cc1cnc([C@@H](C)N2CCC3(CCC3)CC2)o1 ZINC000671729862 487712254 /nfs/dbraw/zinc/71/22/54/487712254.db2.gz BXUWZEKJHIQMIY-GFCCVEGCSA-N 0 1 234.343 3.310 20 0 BGADMN Cc1cnc([C@H](C)N2CCC3(CCC3)CC2)o1 ZINC000671729863 487712386 /nfs/dbraw/zinc/71/23/86/487712386.db2.gz BXUWZEKJHIQMIY-LBPRGKRZSA-N 0 1 234.343 3.310 20 0 BGADMN Cc1cnc(CN2CCC3(CCC3)CC2)s1 ZINC000671729867 487712301 /nfs/dbraw/zinc/71/23/01/487712301.db2.gz DTCLVIUCRGLKKY-UHFFFAOYSA-N 0 1 236.384 3.218 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCC[C@@H]2C[C@@H]21 ZINC000672323488 487911906 /nfs/dbraw/zinc/91/19/06/487911906.db2.gz JMAHCVISQAQLKP-BMIGLBTASA-N 0 1 242.297 3.363 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCC[C@H]2C[C@H]21 ZINC000672323491 487911930 /nfs/dbraw/zinc/91/19/30/487911930.db2.gz JMAHCVISQAQLKP-ZUZCIYMTSA-N 0 1 242.297 3.363 20 0 BGADMN Cc1nccc(N2CCC[C@H]3C[C@H]32)c1Cl ZINC000672324254 487925912 /nfs/dbraw/zinc/92/59/12/487925912.db2.gz TZQJITNLJZWFSE-GXSJLCMTSA-N 0 1 222.719 3.032 20 0 BGADMN Cc1nccc(N2CCC[C@@H]3C[C@@H]32)c1Cl ZINC000672324255 487925940 /nfs/dbraw/zinc/92/59/40/487925940.db2.gz TZQJITNLJZWFSE-KOLCDFICSA-N 0 1 222.719 3.032 20 0 BGADMN C[C@H]1CC[C@H]1Nc1cc[nH+]c2c([O-])cccc12 ZINC000672338211 488069792 /nfs/dbraw/zinc/06/97/92/488069792.db2.gz CRPGTDHJUZAPGN-GXSJLCMTSA-N 0 1 228.295 3.151 20 0 BGADMN C[C@@H]1CC[C@@H]1Nc1cc[nH+]c2c([O-])cccc12 ZINC000672338212 488070134 /nfs/dbraw/zinc/07/01/34/488070134.db2.gz CRPGTDHJUZAPGN-KOLCDFICSA-N 0 1 228.295 3.151 20 0 BGADMN C[C@@H]1CC[C@H]1Nc1cc[nH+]c2c([O-])cccc12 ZINC000672338213 488069921 /nfs/dbraw/zinc/06/99/21/488069921.db2.gz CRPGTDHJUZAPGN-MWLCHTKSSA-N 0 1 228.295 3.151 20 0 BGADMN C[C@H]1CC[C@@H]1Nc1cc[nH+]c2c([O-])cccc12 ZINC000672338214 488069895 /nfs/dbraw/zinc/06/98/95/488069895.db2.gz CRPGTDHJUZAPGN-ONGXEEELSA-N 0 1 228.295 3.151 20 0 BGADMN Cc1ccc(CN(CCOC2CCC2)C2CC2)o1 ZINC000672536075 488258020 /nfs/dbraw/zinc/25/80/20/488258020.db2.gz TUZWYFHRIAHHTK-UHFFFAOYSA-N 0 1 249.354 3.122 20 0 BGADMN Fc1cccc([C@@H]2CCN2CCOC2CCC2)c1 ZINC000672545086 488259110 /nfs/dbraw/zinc/25/91/10/488259110.db2.gz IJUXNYLPAAIJEP-HNNXBMFYSA-N 0 1 249.329 3.142 20 0 BGADMN Fc1cccc([C@H]2CCN2CCOC2CCC2)c1 ZINC000672545089 488258962 /nfs/dbraw/zinc/25/89/62/488258962.db2.gz IJUXNYLPAAIJEP-OAHLLOKOSA-N 0 1 249.329 3.142 20 0 BGADMN COC1(C[C@@H](C)N[C@@H]2CCCC2(F)F)CCC1 ZINC000672622790 488262505 /nfs/dbraw/zinc/26/25/05/488262505.db2.gz SYEZMYHTODMKIN-GHMZBOCLSA-N 0 1 247.329 3.112 20 0 BGADMN COC1(C[C@@H](C)N[C@H]2CCCC2(F)F)CCC1 ZINC000672622791 488262525 /nfs/dbraw/zinc/26/25/25/488262525.db2.gz SYEZMYHTODMKIN-MNOVXSKESA-N 0 1 247.329 3.112 20 0 BGADMN COC1(C[C@H](C)N[C@H]2CCCC2(F)F)CCC1 ZINC000672622801 488262355 /nfs/dbraw/zinc/26/23/55/488262355.db2.gz SYEZMYHTODMKIN-QWRGUYRKSA-N 0 1 247.329 3.112 20 0 BGADMN COC1(C[C@H](C)N[C@@H]2CCCC2(F)F)CCC1 ZINC000672622802 488262395 /nfs/dbraw/zinc/26/23/95/488262395.db2.gz SYEZMYHTODMKIN-WDEREUQCSA-N 0 1 247.329 3.112 20 0 BGADMN CCCCOc1ccccc1CN[C@H](C)CF ZINC000673619475 488298385 /nfs/dbraw/zinc/29/83/85/488298385.db2.gz KREXFPCKYLQDKO-GFCCVEGCSA-N 0 1 239.334 3.313 20 0 BGADMN CCCCOc1ccc(CN[C@H](C)CF)cc1 ZINC000673619508 488298244 /nfs/dbraw/zinc/29/82/44/488298244.db2.gz WCAYURJELZXUPJ-GFCCVEGCSA-N 0 1 239.334 3.313 20 0 BGADMN Cc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000673812175 488307855 /nfs/dbraw/zinc/30/78/55/488307855.db2.gz XCLDOHMRAKETEF-UHFFFAOYSA-N 0 1 237.306 3.483 20 0 BGADMN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cn[nH]c1 ZINC000673927074 487480416 /nfs/dbraw/zinc/48/04/16/487480416.db2.gz KSIKVDIPKWIBGN-JTQLQIEISA-N 0 1 249.745 3.256 20 0 BGADMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cn[nH]c1 ZINC000673927075 487480671 /nfs/dbraw/zinc/48/06/71/487480671.db2.gz KSIKVDIPKWIBGN-SNVBAGLBSA-N 0 1 249.745 3.256 20 0 BGADMN Fc1cccc([C@@H]2CCN2C[C@H]2CCCCO2)c1 ZINC000674012173 487500399 /nfs/dbraw/zinc/50/03/99/487500399.db2.gz YTCKQFZMRTUETQ-CABCVRRESA-N 0 1 249.329 3.142 20 0 BGADMN Fc1cccc([C@@H]2CCN2C[C@@H]2CCCCO2)c1 ZINC000674012175 487499402 /nfs/dbraw/zinc/49/94/02/487499402.db2.gz YTCKQFZMRTUETQ-GJZGRUSLSA-N 0 1 249.329 3.142 20 0 BGADMN Fc1cccc([C@H]2CCN2C[C@H]2CCCCO2)c1 ZINC000674012176 487499991 /nfs/dbraw/zinc/49/99/91/487499991.db2.gz YTCKQFZMRTUETQ-HUUCEWRRSA-N 0 1 249.329 3.142 20 0 BGADMN Fc1cccc([C@H]2CCN2C[C@@H]2CCCCO2)c1 ZINC000674012178 487499532 /nfs/dbraw/zinc/49/95/32/487499532.db2.gz YTCKQFZMRTUETQ-LSDHHAIUSA-N 0 1 249.329 3.142 20 0 BGADMN Cc1ccc2nc(S[C@H]3CCCOC3)[nH]c2c1 ZINC000674302913 487556963 /nfs/dbraw/zinc/55/69/63/487556963.db2.gz CQLHRKOLSFFCFX-JTQLQIEISA-N 0 1 248.351 3.142 20 0 BGADMN Cc1ccc2nc(S[C@@H]3CCCOC3)[nH]c2c1 ZINC000674302914 487555964 /nfs/dbraw/zinc/55/59/64/487555964.db2.gz CQLHRKOLSFFCFX-SNVBAGLBSA-N 0 1 248.351 3.142 20 0 BGADMN CCC1(C(=O)Nc2ccc3nc[nH]c3c2)CCC1 ZINC000674358536 487563783 /nfs/dbraw/zinc/56/37/83/487563783.db2.gz HKSSQSKWUVPLBT-UHFFFAOYSA-N 0 1 243.310 3.082 20 0 BGADMN C[C@H](NCc1c(F)c(F)cc(F)c1F)C1CC1 ZINC000674375796 487968779 /nfs/dbraw/zinc/96/87/79/487968779.db2.gz BOBSUQRZLVCPIO-LURJTMIESA-N 0 1 247.235 3.131 20 0 BGADMN C[C@@H](NCc1c(F)c(F)cc(F)c1F)C1CC1 ZINC000674375797 487968765 /nfs/dbraw/zinc/96/87/65/487968765.db2.gz BOBSUQRZLVCPIO-ZCFIWIBFSA-N 0 1 247.235 3.131 20 0 BGADMN CC(C)(C)CNCc1c(F)c(F)cc(F)c1F ZINC000674419882 487573821 /nfs/dbraw/zinc/57/38/21/487573821.db2.gz XBBRLUACLZKHAM-UHFFFAOYSA-N 0 1 249.251 3.379 20 0 BGADMN COC[C@H]1CCCN1Cc1ccc(Cl)s1 ZINC000674468736 487584021 /nfs/dbraw/zinc/58/40/21/487584021.db2.gz CPBIZPBODIAJEK-SECBINFHSA-N 0 1 245.775 3.012 20 0 BGADMN COC[C@@H]1CCCN1Cc1ccc(Cl)s1 ZINC000674468741 487583692 /nfs/dbraw/zinc/58/36/92/487583692.db2.gz CPBIZPBODIAJEK-VIFPVBQESA-N 0 1 245.775 3.012 20 0 BGADMN CCN(CCC(F)(F)F)Cc1ccc(O)cc1 ZINC000674757176 487613842 /nfs/dbraw/zinc/61/38/42/487613842.db2.gz ZBNWOPIZEZQKHK-UHFFFAOYSA-N 0 1 247.260 3.167 20 0 BGADMN CC[N@@H+](CCC(F)(F)F)Cc1ccc(O)cc1 ZINC000674757176 487613836 /nfs/dbraw/zinc/61/38/36/487613836.db2.gz ZBNWOPIZEZQKHK-UHFFFAOYSA-N 0 1 247.260 3.167 20 0 BGADMN Cc1csc(CN2C3CCCC2CCC3)n1 ZINC000674872701 487640682 /nfs/dbraw/zinc/64/06/82/487640682.db2.gz DLYFFWWFBFXRFS-UHFFFAOYSA-N 0 1 236.384 3.359 20 0 BGADMN CC(C)(C)OCCCN1Cc2ccccc2C1 ZINC000674908124 487651013 /nfs/dbraw/zinc/65/10/13/487651013.db2.gz URJAGHWIGRSKNB-UHFFFAOYSA-N 0 1 233.355 3.207 20 0 BGADMN CCCCNCc1csc(C(F)(F)F)n1 ZINC000675074846 538507768 /nfs/dbraw/zinc/50/77/68/538507768.db2.gz BRKNQALEDHEAFP-UHFFFAOYSA-N 0 1 238.278 3.052 20 0 BGADMN CCN(Cc1ccccn1)[C@H](C)c1ccncc1 ZINC000675131089 487672576 /nfs/dbraw/zinc/67/25/76/487672576.db2.gz 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ZINC000681359453 487783892 /nfs/dbraw/zinc/78/38/92/487783892.db2.gz DHKDZNIVDALQDT-ZDUSSCGKSA-N 0 1 235.327 3.036 20 0 BGADMN Cc1cc(CNCc2cccc(C(C)C)c2)[nH]n1 ZINC000681368293 487786439 /nfs/dbraw/zinc/78/64/39/487786439.db2.gz XNCFGLZVWFSYGT-UHFFFAOYSA-N 0 1 243.354 3.131 20 0 BGADMN c1csc(CNC2(Cc3ccccc3)CC2)n1 ZINC000681368324 487786721 /nfs/dbraw/zinc/78/67/21/487786721.db2.gz YBMITRZUUFPCLZ-UHFFFAOYSA-N 0 1 244.363 3.008 20 0 BGADMN Cc1ccc(CN(C)Cc2ccsc2)c(C)n1 ZINC000681398476 487791167 /nfs/dbraw/zinc/79/11/67/487791167.db2.gz JZUVEUSJUZULQI-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN Cc1ccc(C[N@@H+](C)Cc2ccsc2)c(C)n1 ZINC000681398476 487791160 /nfs/dbraw/zinc/79/11/60/487791160.db2.gz JZUVEUSJUZULQI-UHFFFAOYSA-N 0 1 246.379 3.392 20 0 BGADMN CN(Cc1ccsc1)C[C@H]1CCC(C)(C)O1 ZINC000681398585 487791312 /nfs/dbraw/zinc/79/13/12/487791312.db2.gz KURSYJGDVDDLDD-GFCCVEGCSA-N 0 1 239.384 3.138 20 0 BGADMN C[N@H+](Cc1ccsc1)C[C@H]1CCC(C)(C)O1 ZINC000681398585 487791302 /nfs/dbraw/zinc/79/13/02/487791302.db2.gz KURSYJGDVDDLDD-GFCCVEGCSA-N 0 1 239.384 3.138 20 0 BGADMN CN(Cc1ccsc1)C[C@@H]1CCC(C)(C)O1 ZINC000681398588 487790850 /nfs/dbraw/zinc/79/08/50/487790850.db2.gz KURSYJGDVDDLDD-LBPRGKRZSA-N 0 1 239.384 3.138 20 0 BGADMN C[N@H+](Cc1ccsc1)C[C@@H]1CCC(C)(C)O1 ZINC000681398588 487790848 /nfs/dbraw/zinc/79/08/48/487790848.db2.gz KURSYJGDVDDLDD-LBPRGKRZSA-N 0 1 239.384 3.138 20 0 BGADMN CCN(Cc1ccoc1)C[C@H]1CCC(C)(C)O1 ZINC000681402005 487792384 /nfs/dbraw/zinc/79/23/84/487792384.db2.gz LBHCVXDVANRPFJ-CYBMUJFWSA-N 0 1 237.343 3.059 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1CCC(C)(C)O1 ZINC000681402006 487790930 /nfs/dbraw/zinc/79/09/30/487790930.db2.gz LBHCVXDVANRPFJ-ZDUSSCGKSA-N 0 1 237.343 3.059 20 0 BGADMN CC[N@H+](Cc1ccoc1)C[C@@H]1CCC(C)(C)O1 ZINC000681402006 487790926 /nfs/dbraw/zinc/79/09/26/487790926.db2.gz LBHCVXDVANRPFJ-ZDUSSCGKSA-N 0 1 237.343 3.059 20 0 BGADMN C[C@H]1CCCCC[C@H]1NCc1noc(C2CC2)n1 ZINC000681412921 487796685 /nfs/dbraw/zinc/79/66/85/487796685.db2.gz VIFXEDVXADOYMJ-CMPLNLGQSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@H]1CCCCC[C@@H]1NCc1noc(C2CC2)n1 ZINC000681412922 487796583 /nfs/dbraw/zinc/79/65/83/487796583.db2.gz VIFXEDVXADOYMJ-JQWIXIFHSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@@H]1CCCCC[C@@H]1NCc1noc(C2CC2)n1 ZINC000681412923 487796387 /nfs/dbraw/zinc/79/63/87/487796387.db2.gz VIFXEDVXADOYMJ-PWSUYJOCSA-N 0 1 249.358 3.005 20 0 BGADMN C[C@@H]1CCCCC[C@H]1NCc1noc(C2CC2)n1 ZINC000681412924 487796938 /nfs/dbraw/zinc/79/69/38/487796938.db2.gz VIFXEDVXADOYMJ-ZYHUDNBSSA-N 0 1 249.358 3.005 20 0 BGADMN Fc1cncc(CN2C3CCCC2CCC3)c1 ZINC000681751003 487853497 /nfs/dbraw/zinc/85/34/97/487853497.db2.gz VLEWEBRKUPRQIH-UHFFFAOYSA-N 0 1 234.318 3.128 20 0 BGADMN c1nc(CN[C@H]2CC[C@H](c3ccccc3)C2)co1 ZINC000681974552 487874024 /nfs/dbraw/zinc/87/40/24/487874024.db2.gz ZRLBVICRVRAXMQ-KBPBESRZSA-N 0 1 242.322 3.101 20 0 BGADMN c1nc(CN[C@H]2CC[C@@H](c3ccccc3)C2)co1 ZINC000681974555 487873930 /nfs/dbraw/zinc/87/39/30/487873930.db2.gz ZRLBVICRVRAXMQ-KGLIPLIRSA-N 0 1 242.322 3.101 20 0 BGADMN c1nc(CN[C@@H]2CC[C@H](c3ccccc3)C2)co1 ZINC000681974556 487873978 /nfs/dbraw/zinc/87/39/78/487873978.db2.gz ZRLBVICRVRAXMQ-UONOGXRCSA-N 0 1 242.322 3.101 20 0 BGADMN c1nc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)co1 ZINC000681974558 487873952 /nfs/dbraw/zinc/87/39/52/487873952.db2.gz ZRLBVICRVRAXMQ-ZIAGYGMSSA-N 0 1 242.322 3.101 20 0 BGADMN Cc1ccc(CNC(C)(C)CC(F)(F)F)nc1 ZINC000681987962 487620619 /nfs/dbraw/zinc/62/06/19/487620619.db2.gz GCNIMQPVOPTHGA-UHFFFAOYSA-N 0 1 246.276 3.211 20 0 BGADMN CCC[C@@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000682073028 487896025 /nfs/dbraw/zinc/89/60/25/487896025.db2.gz PHEQXXPGBPTHFV-GDBMZVCRSA-N 0 1 245.366 3.175 20 0 BGADMN CCC[C@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000682073031 487896383 /nfs/dbraw/zinc/89/63/83/487896383.db2.gz PHEQXXPGBPTHFV-GOEBONIOSA-N 0 1 245.366 3.175 20 0 BGADMN CCC[C@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000682073034 487896141 /nfs/dbraw/zinc/89/61/41/487896141.db2.gz PHEQXXPGBPTHFV-HOCLYGCPSA-N 0 1 245.366 3.175 20 0 BGADMN CCC[C@@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000682073036 487895765 /nfs/dbraw/zinc/89/57/65/487895765.db2.gz PHEQXXPGBPTHFV-ZBFHGGJFSA-N 0 1 245.366 3.175 20 0 BGADMN FC1=CCCN([C@H]2CCc3ccccc32)C1 ZINC000682075618 487899685 /nfs/dbraw/zinc/89/96/85/487899685.db2.gz HVBUSWVCXJARIE-AWEZNQCLSA-N 0 1 217.287 3.233 20 0 BGADMN FC1=CCCN([C@@H]2CCc3ccccc32)C1 ZINC000682075636 487990641 /nfs/dbraw/zinc/99/06/41/487990641.db2.gz HVBUSWVCXJARIE-CQSZACIVSA-N 0 1 217.287 3.233 20 0 BGADMN Fc1cc(F)cc(CN2CCC3(CC3)CC2)c1 ZINC000682085877 487906152 /nfs/dbraw/zinc/90/61/52/487906152.db2.gz UWYWJIYFZBYHBF-UHFFFAOYSA-N 0 1 237.293 3.341 20 0 BGADMN CC[C@H](NCc1cc(C)n[nH]1)c1cccc(F)c1 ZINC000682135570 487911866 /nfs/dbraw/zinc/91/18/66/487911866.db2.gz UXZLTMYPABIAPD-AWEZNQCLSA-N 0 1 247.317 3.098 20 0 BGADMN CC[C@@H](NCc1cc(C)n[nH]1)c1cccc(F)c1 ZINC000682135571 487911879 /nfs/dbraw/zinc/91/18/79/487911879.db2.gz UXZLTMYPABIAPD-CQSZACIVSA-N 0 1 247.317 3.098 20 0 BGADMN CC(C)CCCNc1cnn(-c2ccncc2)c1 ZINC000682161939 487919286 /nfs/dbraw/zinc/91/92/86/487919286.db2.gz ARMXJWXBLCQDIN-UHFFFAOYSA-N 0 1 244.342 3.115 20 0 BGADMN Cc1ccc2cc(C[N@@H+]3CC=CCC3)ccc2n1 ZINC000682163907 487920009 /nfs/dbraw/zinc/92/00/09/487920009.db2.gz FXHZSPXMFKHFIA-UHFFFAOYSA-N 0 1 238.334 3.305 20 0 BGADMN CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000682163967 487920554 /nfs/dbraw/zinc/92/05/54/487920554.db2.gz GEYXYRBSECPHJG-NEPJUHHUSA-N 0 1 201.329 3.103 20 0 BGADMN CC(C)CCC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000682163969 487920064 /nfs/dbraw/zinc/92/00/64/487920064.db2.gz GEYXYRBSECPHJG-NWDGAFQWSA-N 0 1 201.329 3.103 20 0 BGADMN CC(C)CCC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000682163971 487920401 /nfs/dbraw/zinc/92/04/01/487920401.db2.gz GEYXYRBSECPHJG-RYUDHWBXSA-N 0 1 201.329 3.103 20 0 BGADMN CC(C)CCC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000682163974 487920672 /nfs/dbraw/zinc/92/06/72/487920672.db2.gz GEYXYRBSECPHJG-VXGBXAGGSA-N 0 1 201.329 3.103 20 0 BGADMN [O-]c1cccc2c(NCc3ccco3)cc[nH+]c12 ZINC000682236281 487932397 /nfs/dbraw/zinc/93/23/97/487932397.db2.gz DVIRBJUPLLKWIZ-UHFFFAOYSA-N 0 1 240.262 3.146 20 0 BGADMN [O-]c1cccc2c(N3CCCCCC3)cc[nH+]c12 ZINC000682236294 487932834 /nfs/dbraw/zinc/93/28/34/487932834.db2.gz GEHFENJBTGYCIQ-UHFFFAOYSA-N 0 1 242.322 3.321 20 0 BGADMN [O-]c1cccc2c(NC3CCCC3)cc[nH+]c12 ZINC000682236763 487932625 /nfs/dbraw/zinc/93/26/25/487932625.db2.gz OWBQBJIASAVTPX-UHFFFAOYSA-N 0 1 228.295 3.295 20 0 BGADMN CC1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000682236932 487932695 /nfs/dbraw/zinc/93/26/95/487932695.db2.gz UZKZLMQTMLVAIQ-UHFFFAOYSA-N 0 1 242.322 3.177 20 0 BGADMN C[C@@H]1CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000682237046 487932440 /nfs/dbraw/zinc/93/24/40/487932440.db2.gz WPIPLZBVPGSINC-LLVKDONJSA-N 0 1 242.322 3.177 20 0 BGADMN C[C@H]1CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000682237048 487932572 /nfs/dbraw/zinc/93/25/72/487932572.db2.gz WPIPLZBVPGSINC-NSHDSACASA-N 0 1 242.322 3.177 20 0 BGADMN CCCCN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000682237075 487932647 /nfs/dbraw/zinc/93/26/47/487932647.db2.gz XMWRBFGAAIQKNZ-UHFFFAOYSA-N 0 1 230.311 3.177 20 0 BGADMN [O-]c1cccc2c(NC3CC=CC3)cc[nH+]c12 ZINC000682241679 487933642 /nfs/dbraw/zinc/93/36/42/487933642.db2.gz XIZDQDULVMHICT-UHFFFAOYSA-N 0 1 226.279 3.071 20 0 BGADMN C[C@H](c1ccncc1)N1CC(C)(C)OC(C)(C)C1 ZINC000682372717 487942152 /nfs/dbraw/zinc/94/21/52/487942152.db2.gz PNQCAIMULIWANW-GFCCVEGCSA-N 0 1 248.370 3.032 20 0 BGADMN C[C@@H](c1ccncc1)N1CC(C)(C)OC(C)(C)C1 ZINC000682372718 487942886 /nfs/dbraw/zinc/94/28/86/487942886.db2.gz PNQCAIMULIWANW-LBPRGKRZSA-N 0 1 248.370 3.032 20 0 BGADMN CCC[C@@H](NCc1cc(C)n[nH]1)c1ccsc1 ZINC000682377125 488019190 /nfs/dbraw/zinc/01/91/90/488019190.db2.gz XOWKPARSROOBGA-CYBMUJFWSA-N 0 1 249.383 3.411 20 0 BGADMN CCC[C@H](NCc1cc(C)n[nH]1)c1ccsc1 ZINC000682377126 488019032 /nfs/dbraw/zinc/01/90/32/488019032.db2.gz XOWKPARSROOBGA-ZDUSSCGKSA-N 0 1 249.383 3.411 20 0 BGADMN C[C@@H](c1nc(C2CCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000682378315 487944914 /nfs/dbraw/zinc/94/49/14/487944914.db2.gz CUHHPLJJZMHPRI-AXFHLTTASA-N 0 1 249.358 3.271 20 0 BGADMN C[C@H](c1nc(C2CCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000682378316 487943792 /nfs/dbraw/zinc/94/37/92/487943792.db2.gz CUHHPLJJZMHPRI-GMTAPVOTSA-N 0 1 249.358 3.271 20 0 BGADMN C[C@@H](c1nc(C2CCC2)no1)N1[C@H](C)CC[C@H]1C ZINC000682378317 487943955 /nfs/dbraw/zinc/94/39/55/487943955.db2.gz CUHHPLJJZMHPRI-MXWKQRLJSA-N 0 1 249.358 3.271 20 0 BGADMN C[C@H](c1nc(C2CCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000682378318 487943553 /nfs/dbraw/zinc/94/35/53/487943553.db2.gz CUHHPLJJZMHPRI-OUAUKWLOSA-N 0 1 249.358 3.271 20 0 BGADMN C[C@@H]1C[C@@H]1CNc1ccnc2cc(F)ccc21 ZINC000682393687 487946437 /nfs/dbraw/zinc/94/64/37/487946437.db2.gz RIBBJHPEABWIDP-NXEZZACHSA-N 0 1 230.286 3.442 20 0 BGADMN C[C@H]1C[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000682393688 488019715 /nfs/dbraw/zinc/01/97/15/488019715.db2.gz RIBBJHPEABWIDP-UWVGGRQHSA-N 0 1 230.286 3.442 20 0 BGADMN C[C@H]1C[C@@H]1CNc1ccnc2cc(F)ccc21 ZINC000682393689 488019933 /nfs/dbraw/zinc/01/99/33/488019933.db2.gz RIBBJHPEABWIDP-VHSXEESVSA-N 0 1 230.286 3.442 20 0 BGADMN C[C@@H]1C[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000682393690 488019757 /nfs/dbraw/zinc/01/97/57/488019757.db2.gz RIBBJHPEABWIDP-ZJUUUORDSA-N 0 1 230.286 3.442 20 0 BGADMN C[C@@H]1c2ccccc2CN1Cc1ccc(O)cc1 ZINC000682405701 487949415 /nfs/dbraw/zinc/94/94/15/487949415.db2.gz YPJIAGRKKNQZDT-GFCCVEGCSA-N 0 1 239.318 3.469 20 0 BGADMN C[C@H]1c2ccccc2CN1Cc1ccc(O)cc1 ZINC000682405702 487949559 /nfs/dbraw/zinc/94/95/59/487949559.db2.gz YPJIAGRKKNQZDT-LBPRGKRZSA-N 0 1 239.318 3.469 20 0 BGADMN Cc1ccc(C[N@@H+](CC[C@@H]2CCCO2)C2CC2)o1 ZINC000682517487 487975485 /nfs/dbraw/zinc/97/54/85/487975485.db2.gz BBDMAVRMCGONFX-AWEZNQCLSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1ccc(C[N@@H+](CC[C@H]2CCCO2)C2CC2)o1 ZINC000682517489 487975230 /nfs/dbraw/zinc/97/52/30/487975230.db2.gz BBDMAVRMCGONFX-CQSZACIVSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1cnc(CNCC(C)(C)c2ccccc2)o1 ZINC000682671496 488008825 /nfs/dbraw/zinc/00/88/25/488008825.db2.gz SICXGDQEPWMXHB-UHFFFAOYSA-N 0 1 244.338 3.050 20 0 BGADMN Cc1ccc(CN(C[C@@H]2CC[C@@H](C)O2)C2CC2)o1 ZINC000682756078 488030296 /nfs/dbraw/zinc/03/02/96/488030296.db2.gz YBLYCVWASHZROZ-DOMZBBRYSA-N 0 1 249.354 3.120 20 0 BGADMN Cc1ccc(CN(C[C@H]2CC[C@@H](C)O2)C2CC2)o1 ZINC000682756079 488029753 /nfs/dbraw/zinc/02/97/53/488029753.db2.gz YBLYCVWASHZROZ-IUODEOHRSA-N 0 1 249.354 3.120 20 0 BGADMN Cc1ccc(CN(C[C@H]2CC[C@H](C)O2)C2CC2)o1 ZINC000682756081 488030161 /nfs/dbraw/zinc/03/01/61/488030161.db2.gz YBLYCVWASHZROZ-SWLSCSKDSA-N 0 1 249.354 3.120 20 0 BGADMN Cc1ccc(CN(C[C@@H]2CC[C@H](C)O2)C2CC2)o1 ZINC000682756083 488030456 /nfs/dbraw/zinc/03/04/56/488030456.db2.gz YBLYCVWASHZROZ-WFASDCNBSA-N 0 1 249.354 3.120 20 0 BGADMN C[C@@H]1CC[C@@H](CN2CC[C@@H]2c2cccc(F)c2)O1 ZINC000682760498 488031923 /nfs/dbraw/zinc/03/19/23/488031923.db2.gz FITBWAFCIUUFIR-BYCMXARLSA-N 0 1 249.329 3.140 20 0 BGADMN C[C@@H]1CC[C@H](CN2CC[C@H]2c2cccc(F)c2)O1 ZINC000682760500 488032167 /nfs/dbraw/zinc/03/21/67/488032167.db2.gz FITBWAFCIUUFIR-DFBGVHRSSA-N 0 1 249.329 3.140 20 0 BGADMN C[C@@H]1CC[C@H](CN2CC[C@@H]2c2cccc(F)c2)O1 ZINC000682760501 488032058 /nfs/dbraw/zinc/03/20/58/488032058.db2.gz FITBWAFCIUUFIR-KCPJHIHWSA-N 0 1 249.329 3.140 20 0 BGADMN C[C@@H]1CC[C@@H](CN2CC[C@H]2c2cccc(F)c2)O1 ZINC000682760502 488031096 /nfs/dbraw/zinc/03/10/96/488031096.db2.gz FITBWAFCIUUFIR-UGFHNGPFSA-N 0 1 249.329 3.140 20 0 BGADMN CCn1ccc(CN(C)Cc2ccsc2)c1 ZINC000682777836 488038409 /nfs/dbraw/zinc/03/84/09/488038409.db2.gz JPUHPNAEEPWIQC-UHFFFAOYSA-N 0 1 234.368 3.202 20 0 BGADMN CCn1ccc(CN(C)Cc2cccc(F)c2)c1 ZINC000682777971 488039610 /nfs/dbraw/zinc/03/96/10/488039610.db2.gz OJCGNRIHJLXHCB-UHFFFAOYSA-N 0 1 246.329 3.279 20 0 BGADMN CCn1ccc(CN(C)Cc2ccc(C)o2)c1 ZINC000682778049 487562400 /nfs/dbraw/zinc/56/24/00/487562400.db2.gz PZDRUCPKAXREFF-UHFFFAOYSA-N 0 1 232.327 3.041 20 0 BGADMN CCn1ccc(CN(C)Cc2cccs2)c1 ZINC000682778093 488039529 /nfs/dbraw/zinc/03/95/29/488039529.db2.gz RNZWZIDEJNEKCE-UHFFFAOYSA-N 0 1 234.368 3.202 20 0 BGADMN CCn1ccc(CN(C)[C@H](C)c2ccccn2)c1 ZINC000682778432 488038835 /nfs/dbraw/zinc/03/88/35/488038835.db2.gz FQGTUCHUXOBELG-CYBMUJFWSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1ccc(CN(C)[C@@H](C)c2ccccn2)c1 ZINC000682778434 488039644 /nfs/dbraw/zinc/03/96/44/488039644.db2.gz FQGTUCHUXOBELG-ZDUSSCGKSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1ccc(CN(C)[C@H](C)c2ccncc2)c1 ZINC000682778518 488039468 /nfs/dbraw/zinc/03/94/68/488039468.db2.gz IPGJXEHDDBBKND-CYBMUJFWSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1ccc(CN(C)[C@@H](C)c2ccncc2)c1 ZINC000682778519 488038998 /nfs/dbraw/zinc/03/89/98/488038998.db2.gz IPGJXEHDDBBKND-ZDUSSCGKSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1ccc(CN(C)[C@H](C)c2cccnc2)c1 ZINC000682778542 488039172 /nfs/dbraw/zinc/03/91/72/488039172.db2.gz JWDIINGFSGTPAP-CYBMUJFWSA-N 0 1 243.354 3.096 20 0 BGADMN CCn1ccc(CN(C)[C@@H](C)c2cccnc2)c1 ZINC000682778543 488038370 /nfs/dbraw/zinc/03/83/70/488038370.db2.gz JWDIINGFSGTPAP-ZDUSSCGKSA-N 0 1 243.354 3.096 20 0 BGADMN Cc1cnc(CN[C@H](C)Cc2ccccc2C)o1 ZINC000682780145 488041192 /nfs/dbraw/zinc/04/11/92/488041192.db2.gz BSSPRPLMGXAABW-GFCCVEGCSA-N 0 1 244.338 3.012 20 0 BGADMN Cc1cnc(CN[C@@H](C)Cc2ccccc2C)o1 ZINC000682780154 488040427 /nfs/dbraw/zinc/04/04/27/488040427.db2.gz BSSPRPLMGXAABW-LBPRGKRZSA-N 0 1 244.338 3.012 20 0 BGADMN Cc1cnc(CNC[C@@H]2CCCC(C)(C)C2)o1 ZINC000682780541 488040918 /nfs/dbraw/zinc/04/09/18/488040918.db2.gz IBIAAYNASWHQOL-GFCCVEGCSA-N 0 1 236.359 3.289 20 0 BGADMN Cc1cnc(CNC[C@H]2CCCC(C)(C)C2)o1 ZINC000682780542 488040955 /nfs/dbraw/zinc/04/09/55/488040955.db2.gz IBIAAYNASWHQOL-LBPRGKRZSA-N 0 1 236.359 3.289 20 0 BGADMN CC[C@H](CNCc1ncc(C)o1)c1ccccc1 ZINC000682780655 488040611 /nfs/dbraw/zinc/04/06/11/488040611.db2.gz KEFFGJMOBCCTJJ-CYBMUJFWSA-N 0 1 244.338 3.266 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CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000683895853 488239017 /nfs/dbraw/zinc/23/90/17/488239017.db2.gz MEHYKYBHOQPMBE-HOSYDEDBSA-N 0 1 249.358 3.176 20 0 BGADMN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nc(C2CC2)no1 ZINC000683895854 488238678 /nfs/dbraw/zinc/23/86/78/488238678.db2.gz MEHYKYBHOQPMBE-UMNHJUIQSA-N 0 1 249.358 3.176 20 0 BGADMN Cc1nc(C)c(CN(C)Cc2ccc(C)cc2)o1 ZINC000683897054 488238577 /nfs/dbraw/zinc/23/85/77/488238577.db2.gz KQAYPOXCICIXQK-UHFFFAOYSA-N 0 1 244.338 3.232 20 0 BGADMN CCN(Cc1oc(C)nc1C)Cc1ccccc1 ZINC000683897286 488239561 /nfs/dbraw/zinc/23/95/61/488239561.db2.gz XALYAWHHQMLIAE-UHFFFAOYSA-N 0 1 244.338 3.314 20 0 BGADMN Cc1nc(C)c(CN(C)[C@H](C)c2ccccc2)o1 ZINC000683898464 488240329 /nfs/dbraw/zinc/24/03/29/488240329.db2.gz JXSUIODMVQTYBT-GFCCVEGCSA-N 0 1 244.338 3.484 20 0 BGADMN Cc1nc(C)c(CN(C)[C@@H](C)c2ccccc2)o1 ZINC000683898465 488240386 /nfs/dbraw/zinc/24/03/86/488240386.db2.gz JXSUIODMVQTYBT-LBPRGKRZSA-N 0 1 244.338 3.484 20 0 BGADMN Cc1nc2cc(NC3CC(C)(C)C3)ccc2n1C ZINC000683941461 488249297 /nfs/dbraw/zinc/24/92/97/488249297.db2.gz GEJDLPUEZXZCTF-UHFFFAOYSA-N 0 1 243.354 3.482 20 0 BGADMN C[C@@H]1CSCCN1Cc1cc2ccccc2[nH]1 ZINC000684020632 488255345 /nfs/dbraw/zinc/25/53/45/488255345.db2.gz GMMOCODQLSYTKQ-LLVKDONJSA-N 0 1 246.379 3.105 20 0 BGADMN C[C@H]1CSCCN1Cc1cc2ccccc2[nH]1 ZINC000684020633 488255368 /nfs/dbraw/zinc/25/53/68/488255368.db2.gz GMMOCODQLSYTKQ-NSHDSACASA-N 0 1 246.379 3.105 20 0 BGADMN CCOCC[N@@H+](CC)Cc1cc2ccccc2[nH]1 ZINC000684021720 488256266 /nfs/dbraw/zinc/25/62/66/488256266.db2.gz ZNKWRXDSSOJBQM-UHFFFAOYSA-N 0 1 246.354 3.026 20 0 BGADMN C[C@@H]1CN(Cc2cc3ccccc3[nH]2)CCS1 ZINC000684023265 488257074 /nfs/dbraw/zinc/25/70/74/488257074.db2.gz WDDOXGFKFQDPKV-LLVKDONJSA-N 0 1 246.379 3.105 20 0 BGADMN FC(F)c1cccc(CN2CC=CCC2)c1 ZINC000684205502 488276023 /nfs/dbraw/zinc/27/60/23/488276023.db2.gz VONKUFPCBVTKSI-UHFFFAOYSA-N 0 1 223.266 3.386 20 0 BGADMN Fc1cccc([C@@H]2CCN(CC3(F)CC3)C2)c1 ZINC000684359207 488300513 /nfs/dbraw/zinc/30/05/13/488300513.db2.gz QZURTKOFTNKRSS-GFCCVEGCSA-N 0 1 237.293 3.117 20 0 BGADMN Fc1cccc([C@H]2CCN(CC3(F)CC3)C2)c1 ZINC000684359208 488300676 /nfs/dbraw/zinc/30/06/76/488300676.db2.gz QZURTKOFTNKRSS-LBPRGKRZSA-N 0 1 237.293 3.117 20 0 BGADMN CC(C)n1nccc1CN1C2CCCC1CCC2 ZINC000684361868 488301407 /nfs/dbraw/zinc/30/14/07/488301407.db2.gz WUTFSLGTYREDNF-UHFFFAOYSA-N 0 1 247.386 3.371 20 0 BGADMN Cc1ccc(CCCNc2cccc(C)n2)cn1 ZINC000684373201 488302386 /nfs/dbraw/zinc/30/23/86/488302386.db2.gz VSGIZAQFILDODM-UHFFFAOYSA-N 0 1 241.338 3.138 20 0 BGADMN CCc1cccc(F)c1CN1CC=CCC1 ZINC000684392175 488304671 /nfs/dbraw/zinc/30/46/71/488304671.db2.gz FNRDHFYTJDJGDO-UHFFFAOYSA-N 0 1 219.303 3.150 20 0 BGADMN CC(C)C1CN(Cc2ccc(Cl)s2)C1 ZINC000684407327 488307377 /nfs/dbraw/zinc/30/73/77/488307377.db2.gz BRIOEHSKGDLXAD-UHFFFAOYSA-N 0 1 229.776 3.489 20 0 BGADMN CC(C)C1CN(Cc2cc(F)cc(F)c2)C1 ZINC000684407662 488307464 /nfs/dbraw/zinc/30/74/64/488307464.db2.gz BFKDWVJZQZBKJS-UHFFFAOYSA-N 0 1 225.282 3.053 20 0 BGADMN CC(C)C1CN(Cc2ccccc2Cl)C1 ZINC000684407759 488307246 /nfs/dbraw/zinc/30/72/46/488307246.db2.gz CLUQGRWDFFJJJC-UHFFFAOYSA-N 0 1 223.747 3.428 20 0 BGADMN CC(C)C1CN(Cc2ccc(F)c(F)c2)C1 ZINC000684407981 488307209 /nfs/dbraw/zinc/30/72/09/488307209.db2.gz KODKPKUXJLILQF-UHFFFAOYSA-N 0 1 225.282 3.053 20 0 BGADMN CC(C)C1CN(Cc2cnc(C3CC3)s2)C1 ZINC000684408281 488307802 /nfs/dbraw/zinc/30/78/02/488307802.db2.gz HKXJAGPMZMASCZ-UHFFFAOYSA-N 0 1 236.384 3.108 20 0 BGADMN CC(C)C1CN(Cc2sccc2Cl)C1 ZINC000684408624 488307939 /nfs/dbraw/zinc/30/79/39/488307939.db2.gz USWHTKLNPATEGT-UHFFFAOYSA-N 0 1 229.776 3.489 20 0 BGADMN CC(C)C1CN(Cc2cccc(Cl)c2)C1 ZINC000684409047 488306995 /nfs/dbraw/zinc/30/69/95/488306995.db2.gz OYLHYKZGPBGLKN-UHFFFAOYSA-N 0 1 223.747 3.428 20 0 BGADMN CC(C)C1CN(Cc2ccc(Cl)cc2)C1 ZINC000684409516 488308496 /nfs/dbraw/zinc/30/84/96/488308496.db2.gz WXIRXQBBEDCEOM-UHFFFAOYSA-N 0 1 223.747 3.428 20 0 BGADMN C[C@@H](CNC(C)(C)C(F)F)Cc1ccccc1 ZINC000684413622 488309617 /nfs/dbraw/zinc/30/96/17/488309617.db2.gz RWHZRTGGRRVBOR-LLVKDONJSA-N 0 1 241.325 3.499 20 0 BGADMN C[C@H](CNC(C)(C)C(F)F)Cc1ccccc1 ZINC000684413623 488309541 /nfs/dbraw/zinc/30/95/41/488309541.db2.gz RWHZRTGGRRVBOR-NSHDSACASA-N 0 1 241.325 3.499 20 0 BGADMN CC(C)(NC1CCC2(CCCO2)CC1)C(F)F ZINC000684414319 487884110 /nfs/dbraw/zinc/88/41/10/487884110.db2.gz YZRDCCIBWCYELT-UHFFFAOYSA-N 0 1 247.329 3.112 20 0 BGADMN O=C(CCC(F)F)Nc1cccc(Cl)c1O ZINC000684471540 488318361 /nfs/dbraw/zinc/31/83/61/488318361.db2.gz UPOHSJHZFAPLIU-UHFFFAOYSA-N 0 1 249.644 3.029 20 0 BGADMN [O-]c1cccc2c(NCC3CCC3)cc[nH+]c12 ZINC000684569300 488327904 /nfs/dbraw/zinc/32/79/04/488327904.db2.gz SHKAEGTTYDJXEM-UHFFFAOYSA-N 0 1 228.295 3.152 20 0 BGADMN CC(C)(C)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684569542 488327992 /nfs/dbraw/zinc/32/79/92/488327992.db2.gz CNUQFTLBZNSZDV-UHFFFAOYSA-N 0 1 230.311 3.398 20 0 BGADMN [O-]c1cccc2c(NCc3ccoc3)cc[nH+]c12 ZINC000684569797 488327878 /nfs/dbraw/zinc/32/78/78/488327878.db2.gz JQIRYZTWEIIAQZ-UHFFFAOYSA-N 0 1 240.262 3.146 20 0 BGADMN C[C@@H]1C[C@@H]1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684569854 488327848 /nfs/dbraw/zinc/32/78/48/488327848.db2.gz KKGZXNZPJYQTJY-NXEZZACHSA-N 0 1 228.295 3.008 20 0 BGADMN C[C@H]1C[C@H]1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684569960 488328033 /nfs/dbraw/zinc/32/80/33/488328033.db2.gz KKGZXNZPJYQTJY-UWVGGRQHSA-N 0 1 228.295 3.008 20 0 BGADMN C[C@H]1C[C@@H]1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684569961 488328013 /nfs/dbraw/zinc/32/80/13/488328013.db2.gz KKGZXNZPJYQTJY-VHSXEESVSA-N 0 1 228.295 3.008 20 0 BGADMN C[C@@H]1C[C@H]1CNc1cc[nH+]c2c([O-])cccc12 ZINC000684569962 488327817 /nfs/dbraw/zinc/32/78/17/488327817.db2.gz KKGZXNZPJYQTJY-ZJUUUORDSA-N 0 1 228.295 3.008 20 0 BGADMN CC1(C)C[C@H]1Nc1cc[nH+]c2c([O-])cccc12 ZINC000684570480 488328261 /nfs/dbraw/zinc/32/82/61/488328261.db2.gz UFUDMWSFVCKEBW-GFCCVEGCSA-N 0 1 228.295 3.151 20 0 BGADMN CC1(C)C[C@@H]1Nc1cc[nH+]c2c([O-])cccc12 ZINC000684570481 488328418 /nfs/dbraw/zinc/32/84/18/488328418.db2.gz UFUDMWSFVCKEBW-LBPRGKRZSA-N 0 1 228.295 3.151 20 0 BGADMN C[C@@H](CNc1cc[nH+]c2c([O-])cccc12)C1CC1 ZINC000684570817 488328472 /nfs/dbraw/zinc/32/84/72/488328472.db2.gz XVMBANDMILTETG-JTQLQIEISA-N 0 1 242.322 3.398 20 0 BGADMN C[C@H](CNc1cc[nH+]c2c([O-])cccc12)C1CC1 ZINC000684570818 488328174 /nfs/dbraw/zinc/32/81/74/488328174.db2.gz XVMBANDMILTETG-SNVBAGLBSA-N 0 1 242.322 3.398 20 0 BGADMN CC(C)CN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000684572457 488328159 /nfs/dbraw/zinc/32/81/59/488328159.db2.gz ZKKPPIIMDKFMMS-UHFFFAOYSA-N 0 1 230.311 3.033 20 0 BGADMN CC1(C)CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684574112 488328408 /nfs/dbraw/zinc/32/84/08/488328408.db2.gz CZFUQJKVMXYDFF-UHFFFAOYSA-N 0 1 242.322 3.177 20 0 BGADMN [O-]c1cccc2c(N[C@@H]3CC=CCC3)cc[nH+]c12 ZINC000684574208 488328170 /nfs/dbraw/zinc/32/81/70/488328170.db2.gz RUGKXLKOGRVCFB-LLVKDONJSA-N 0 1 240.306 3.461 20 0 BGADMN [O-]c1cccc2c(N[C@H]3CC=CCC3)cc[nH+]c12 ZINC000684574209 488328181 /nfs/dbraw/zinc/32/81/81/488328181.db2.gz RUGKXLKOGRVCFB-NSHDSACASA-N 0 1 240.306 3.461 20 0 BGADMN CC[C@@H]1CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684574927 488328246 /nfs/dbraw/zinc/32/82/46/488328246.db2.gz DFBUUHJEEVFZBI-LLVKDONJSA-N 0 1 242.322 3.177 20 0 BGADMN CC[C@H]1CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684574928 488328165 /nfs/dbraw/zinc/32/81/65/488328165.db2.gz DFBUUHJEEVFZBI-NSHDSACASA-N 0 1 242.322 3.177 20 0 BGADMN C[C@@H]1CCN(c2cc[nH+]c3c([O-])cccc23)[C@@H]1C ZINC000684575373 488328195 /nfs/dbraw/zinc/32/81/95/488328195.db2.gz ASANAAXANUDIPX-GHMZBOCLSA-N 0 1 242.322 3.175 20 0 BGADMN C[C@@H]1CCN(c2cc[nH+]c3c([O-])cccc23)[C@H]1C ZINC000684575376 488328796 /nfs/dbraw/zinc/32/87/96/488328796.db2.gz ASANAAXANUDIPX-MNOVXSKESA-N 0 1 242.322 3.175 20 0 BGADMN C[C@H]1CCN(c2cc[nH+]c3c([O-])cccc23)[C@H]1C ZINC000684575378 488328792 /nfs/dbraw/zinc/32/87/92/488328792.db2.gz ASANAAXANUDIPX-QWRGUYRKSA-N 0 1 242.322 3.175 20 0 BGADMN C[C@@H]1[C@@H](C)CCN1c1cc[nH+]c2c([O-])cccc12 ZINC000684575381 488328701 /nfs/dbraw/zinc/32/87/01/488328701.db2.gz ASANAAXANUDIPX-WDEREUQCSA-N 0 1 242.322 3.175 20 0 BGADMN [O-]c1cccc2c(NCCC3CC3)cc[nH+]c12 ZINC000684575456 488328697 /nfs/dbraw/zinc/32/86/97/488328697.db2.gz IMFBAQLTYXWWQG-UHFFFAOYSA-N 0 1 228.295 3.152 20 0 BGADMN C[C@@H]1CN(c2cc[nH+]c3c([O-])cccc23)C[C@H]1C ZINC000684575885 488328785 /nfs/dbraw/zinc/32/87/85/488328785.db2.gz YFOUAQYNNLQTTL-GHMZBOCLSA-N 0 1 242.322 3.033 20 0 BGADMN C[C@H]1CN(c2cc[nH+]c3c([O-])cccc23)C[C@H]1C ZINC000684575889 488328587 /nfs/dbraw/zinc/32/85/87/488328587.db2.gz YFOUAQYNNLQTTL-PHIMTYICSA-N 0 1 242.322 3.033 20 0 BGADMN C[C@H]1CN(c2cc[nH+]c3c([O-])cccc23)C[C@@H]1C ZINC000684575892 488328686 /nfs/dbraw/zinc/32/86/86/488328686.db2.gz YFOUAQYNNLQTTL-QWRGUYRKSA-N 0 1 242.322 3.033 20 0 BGADMN CC1(CNc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684578103 488328598 /nfs/dbraw/zinc/32/85/98/488328598.db2.gz XCKKBERYHNOQJR-UHFFFAOYSA-N 0 1 228.295 3.152 20 0 BGADMN CN(CCC1CC1)c1cc[nH+]c2c([O-])cccc12 ZINC000684578682 488328736 /nfs/dbraw/zinc/32/87/36/488328736.db2.gz XGURYYMYDVQOOG-UHFFFAOYSA-N 0 1 242.322 3.177 20 0 BGADMN CC1=CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684579025 488328752 /nfs/dbraw/zinc/32/87/52/488328752.db2.gz BZMHVMZNMRXTGY-UHFFFAOYSA-N 0 1 240.306 3.097 20 0 BGADMN [O-]c1cccc2c(N3CCC=C(F)C3)cc[nH+]c12 ZINC000684580447 488328832 /nfs/dbraw/zinc/32/88/32/488328832.db2.gz IVUBWCVUUSUSCB-UHFFFAOYSA-N 0 1 244.269 3.004 20 0 BGADMN CC(C)=CCNc1cc[nH+]c2c([O-])cccc12 ZINC000684590280 488329542 /nfs/dbraw/zinc/32/95/42/488329542.db2.gz ILEVTDXRWONPCW-UHFFFAOYSA-N 0 1 228.295 3.319 20 0 BGADMN CCOc1ccc(CN2CCC(C)=C(C)C2)nc1 ZINC000684614575 488332012 /nfs/dbraw/zinc/33/20/12/488332012.db2.gz PLWCLKXLRGZXJP-UHFFFAOYSA-N 0 1 246.354 3.022 20 0 BGADMN CCN(Cc1noc2c1CCCC2)CC1CCC1 ZINC000684623913 488334787 /nfs/dbraw/zinc/33/47/87/488334787.db2.gz KLWSMFQWIKAOFP-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN CC1=C[C@H](C)CN(Cc2cnc(C3CC3)s2)C1 ZINC000684683289 488338933 /nfs/dbraw/zinc/33/89/33/488338933.db2.gz HSKABGBEZSAELH-JTQLQIEISA-N 0 1 248.395 3.419 20 0 BGADMN CC1=C[C@@H](C)CN(Cc2cnc(C3CC3)s2)C1 ZINC000684683291 488338832 /nfs/dbraw/zinc/33/88/32/488338832.db2.gz HSKABGBEZSAELH-SNVBAGLBSA-N 0 1 248.395 3.419 20 0 BGADMN CC1=C[C@H](C)CN(Cc2nc3c(s2)CCC3)C1 ZINC000684683683 488338920 /nfs/dbraw/zinc/33/89/20/488338920.db2.gz SFQJWQOMMAPYFS-JTQLQIEISA-N 0 1 248.395 3.030 20 0 BGADMN CC1=C[C@@H](C)CN(Cc2nc3c(s2)CCC3)C1 ZINC000684683685 488338880 /nfs/dbraw/zinc/33/88/80/488338880.db2.gz SFQJWQOMMAPYFS-SNVBAGLBSA-N 0 1 248.395 3.030 20 0 BGADMN CC1=CCCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684763677 487968772 /nfs/dbraw/zinc/96/87/72/487968772.db2.gz ADQQCBDANBCALO-UHFFFAOYSA-N 0 1 240.306 3.097 20 0 BGADMN c1csc(CN[C@@H]2C[C@@H](c3ccccc3)C2)n1 ZINC000684766593 488341204 /nfs/dbraw/zinc/34/12/04/488341204.db2.gz DXMYWINHGPWZIO-JOCQHMNTSA-N 0 1 244.363 3.179 20 0 BGADMN Cc1nccc(N2CC[C@@H](C)[C@H](F)C2)c1Cl ZINC000684891089 488350939 /nfs/dbraw/zinc/35/09/39/488350939.db2.gz UAIGYTGXTASEGW-PSASIEDQSA-N 0 1 242.725 3.228 20 0 BGADMN Cc1nccc(N2CC[C@@H](C)[C@@H](F)C2)c1Cl ZINC000684891109 488351092 /nfs/dbraw/zinc/35/10/92/488351092.db2.gz UAIGYTGXTASEGW-SCZZXKLOSA-N 0 1 242.725 3.228 20 0 BGADMN Cc1nccc(N2CC[C@H](C)[C@H](F)C2)c1Cl ZINC000684891112 488351071 /nfs/dbraw/zinc/35/10/71/488351071.db2.gz UAIGYTGXTASEGW-WCBMZHEXSA-N 0 1 242.725 3.228 20 0 BGADMN Cc1nccc(N2CC[C@H](C)[C@@H](F)C2)c1Cl ZINC000684891115 488351084 /nfs/dbraw/zinc/35/10/84/488351084.db2.gz UAIGYTGXTASEGW-WPRPVWTQSA-N 0 1 242.725 3.228 20 0 BGADMN Cc1occc1CN[C@H]1CCCc2cccnc21 ZINC000684956645 487474979 /nfs/dbraw/zinc/47/49/79/487474979.db2.gz VFOQBYVLNQRPEF-AWEZNQCLSA-N 0 1 242.322 3.150 20 0 BGADMN Cc1occc1CN[C@@H]1CCCc2cccnc21 ZINC000684956646 487474930 /nfs/dbraw/zinc/47/49/30/487474930.db2.gz VFOQBYVLNQRPEF-CQSZACIVSA-N 0 1 242.322 3.150 20 0 BGADMN CC(C)C[C@@H](C)CN1CCC[C@H]1C(F)F ZINC000685002998 487490409 /nfs/dbraw/zinc/49/04/09/487490409.db2.gz IGWSOEAMMJULNX-MNOVXSKESA-N 0 1 219.319 3.398 20 0 BGADMN CC(C)C[C@H](C)CN1CCC[C@H]1C(F)F ZINC000685003036 487490619 /nfs/dbraw/zinc/49/06/19/487490619.db2.gz IGWSOEAMMJULNX-QWRGUYRKSA-N 0 1 219.319 3.398 20 0 BGADMN C[C@H](c1ccncc1)N1CCCc2occc2C1 ZINC000685058664 487498563 /nfs/dbraw/zinc/49/85/63/487498563.db2.gz ZTEKHCGFAJAKCP-GFCCVEGCSA-N 0 1 242.322 3.184 20 0 BGADMN C[C@@H](c1ccncc1)N1CCCc2occc2C1 ZINC000685058665 487498294 /nfs/dbraw/zinc/49/82/94/487498294.db2.gz ZTEKHCGFAJAKCP-LBPRGKRZSA-N 0 1 242.322 3.184 20 0 BGADMN CCCC[NH+](CCCC)Cc1ncccc1[O-] ZINC000685407246 487515944 /nfs/dbraw/zinc/51/59/44/487515944.db2.gz QZBSSHMRVFMIIG-UHFFFAOYSA-N 0 1 236.359 3.189 20 0 BGADMN CCC(CC)C[N@@H+](CC)Cc1ncccc1[O-] ZINC000685410804 487517572 /nfs/dbraw/zinc/51/75/72/487517572.db2.gz FXIGUKDMNLLJEP-UHFFFAOYSA-N 0 1 236.359 3.045 20 0 BGADMN CCC(CC)C[N@H+](CC)Cc1ncccc1[O-] ZINC000685410804 487517569 /nfs/dbraw/zinc/51/75/69/487517569.db2.gz FXIGUKDMNLLJEP-UHFFFAOYSA-N 0 1 236.359 3.045 20 0 BGADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000685419563 487519174 /nfs/dbraw/zinc/51/91/74/487519174.db2.gz PXIOTENCWUROAM-AWEZNQCLSA-N 0 1 248.370 3.188 20 0 BGADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000685419564 487518626 /nfs/dbraw/zinc/51/86/26/487518626.db2.gz PXIOTENCWUROAM-CQSZACIVSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000685419736 487519200 /nfs/dbraw/zinc/51/92/00/487519200.db2.gz VMHWWDCSBZPPPQ-GXTWGEPZSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000685419736 487519195 /nfs/dbraw/zinc/51/91/95/487519195.db2.gz VMHWWDCSBZPPPQ-GXTWGEPZSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000685419737 487518460 /nfs/dbraw/zinc/51/84/60/487518460.db2.gz VMHWWDCSBZPPPQ-JSGCOSHPSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000685419737 487518458 /nfs/dbraw/zinc/51/84/58/487518458.db2.gz VMHWWDCSBZPPPQ-JSGCOSHPSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000685419738 488024491 /nfs/dbraw/zinc/02/44/91/488024491.db2.gz VMHWWDCSBZPPPQ-OCCSQVGLSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000685419738 488024487 /nfs/dbraw/zinc/02/44/87/488024487.db2.gz VMHWWDCSBZPPPQ-OCCSQVGLSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000685419739 488024358 /nfs/dbraw/zinc/02/43/58/488024358.db2.gz VMHWWDCSBZPPPQ-TZMCWYRMSA-N 0 1 248.370 3.188 20 0 BGADMN CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000685419739 488024352 /nfs/dbraw/zinc/02/43/52/488024352.db2.gz VMHWWDCSBZPPPQ-TZMCWYRMSA-N 0 1 248.370 3.188 20 0 BGADMN c1[nH]nc2c1CCN(CCC1CCCCCC1)C2 ZINC000685419797 487518956 /nfs/dbraw/zinc/51/89/56/487518956.db2.gz RHMHJXGNJMLWJM-UHFFFAOYSA-N 0 1 247.386 3.128 20 0 BGADMN c1[nH]nc2c1CCN(CCCC1CCCCC1)C2 ZINC000685419813 487518504 /nfs/dbraw/zinc/51/85/04/487518504.db2.gz VTRJONVYJFRKFL-UHFFFAOYSA-N 0 1 247.386 3.128 20 0 BGADMN Fc1ccc(/C=C\CN2CC=CCC2)cc1F ZINC000685426485 487521339 /nfs/dbraw/zinc/52/13/39/487521339.db2.gz LGCUZALWAQURKC-PLNGDYQASA-N 0 1 235.277 3.240 20 0 BGADMN Fc1ccc(/C=C/CN2CC=CCC2)cc1F ZINC000685426486 487520700 /nfs/dbraw/zinc/52/07/00/487520700.db2.gz LGCUZALWAQURKC-SNAWJCMRSA-N 0 1 235.277 3.240 20 0 BGADMN Oc1ccc(C[N@@H+](CC2CC2)CC2(F)CC2)cc1 ZINC000685456438 487527247 /nfs/dbraw/zinc/52/72/47/487527247.db2.gz NBILYQZXGGKHFF-UHFFFAOYSA-N 0 1 249.329 3.106 20 0 BGADMN Cc1nc(C)c(CN(C)Cc2ccccc2C)o1 ZINC000685560658 487543391 /nfs/dbraw/zinc/54/33/91/487543391.db2.gz SMJAGSIMKUZHCP-UHFFFAOYSA-N 0 1 244.338 3.232 20 0 BGADMN Cc1nc(C)c(CN(C)Cc2cccc(C)c2)o1 ZINC000685561480 487543642 /nfs/dbraw/zinc/54/36/42/487543642.db2.gz FTWIVMPQBVHWQR-UHFFFAOYSA-N 0 1 244.338 3.232 20 0 BGADMN CC[C@@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC000685562474 487544923 /nfs/dbraw/zinc/54/49/23/487544923.db2.gz JNPYIFKNOXBKOB-GFCCVEGCSA-N 0 1 236.359 3.347 20 0 BGADMN CC[C@H]1CCCN1Cc1cc(C(C)(C)C)on1 ZINC000685562476 487545176 /nfs/dbraw/zinc/54/51/76/487545176.db2.gz JNPYIFKNOXBKOB-LBPRGKRZSA-N 0 1 236.359 3.347 20 0 BGADMN Cc1nc(C)c(CNC(C)(C)c2ccccc2)o1 ZINC000685562532 487545492 /nfs/dbraw/zinc/54/54/92/487545492.db2.gz OHXJFVGYFBYCLQ-UHFFFAOYSA-N 0 1 244.338 3.316 20 0 BGADMN Cc1nc(C)c(CN2CC[C@H]2c2ccccc2)o1 ZINC000685566117 491101095 /nfs/dbraw/zinc/10/10/95/491101095.db2.gz DABJUSLEEQJEDZ-AWEZNQCLSA-N 0 1 242.322 3.238 20 0 BGADMN Cc1nc(C)c(CN2CC[C@@H]2c2ccccc2)o1 ZINC000685566118 491101062 /nfs/dbraw/zinc/10/10/62/491101062.db2.gz DABJUSLEEQJEDZ-CQSZACIVSA-N 0 1 242.322 3.238 20 0 BGADMN CC[C@@H]1CCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000685566797 487548715 /nfs/dbraw/zinc/54/87/15/487548715.db2.gz KUSRXGBFGKOZLY-LLVKDONJSA-N 0 1 236.359 3.204 20 0 BGADMN CC[C@H]1CCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000685566799 487542533 /nfs/dbraw/zinc/54/25/33/487542533.db2.gz KUSRXGBFGKOZLY-NSHDSACASA-N 0 1 236.359 3.204 20 0 BGADMN Cc1nc(C)c(CN2CC=C(C(C)(C)C)CC2)o1 ZINC000685569304 487549915 /nfs/dbraw/zinc/54/99/15/487549915.db2.gz KTXOSKPNJGFIFQ-UHFFFAOYSA-N 0 1 248.370 3.470 20 0 BGADMN CC(C)(C)c1cc(CN2CC[C@@H]3CCC[C@@H]32)no1 ZINC000685574089 487554516 /nfs/dbraw/zinc/55/45/16/487554516.db2.gz YYUNRMDYENNFGG-AAEUAGOBSA-N 0 1 248.370 3.347 20 0 BGADMN CC(C)(C)c1cc(CN2CC[C@H]3CCC[C@H]32)no1 ZINC000685574090 487554499 /nfs/dbraw/zinc/55/44/99/487554499.db2.gz YYUNRMDYENNFGG-DGCLKSJQSA-N 0 1 248.370 3.347 20 0 BGADMN CC(C)(C)c1cc(CN2CC[C@@H]3CCC[C@H]32)no1 ZINC000685574091 487554211 /nfs/dbraw/zinc/55/42/11/487554211.db2.gz YYUNRMDYENNFGG-WCQYABFASA-N 0 1 248.370 3.347 20 0 BGADMN CC(C)(C)c1cc(CN2CC[C@H]3CCC[C@@H]32)no1 ZINC000685574092 487554536 /nfs/dbraw/zinc/55/45/36/487554536.db2.gz YYUNRMDYENNFGG-YPMHNXCESA-N 0 1 248.370 3.347 20 0 BGADMN C[C@H](c1ccncc1)N1CCC(F)(F)[C@H](C)C1 ZINC000685591066 487560088 /nfs/dbraw/zinc/56/00/88/487560088.db2.gz CEOZWGYQQPXCFZ-GHMZBOCLSA-N 0 1 240.297 3.120 20 0 BGADMN C[C@@H](c1ccncc1)N1CCC(F)(F)[C@H](C)C1 ZINC000685591067 487560680 /nfs/dbraw/zinc/56/06/80/487560680.db2.gz CEOZWGYQQPXCFZ-MNOVXSKESA-N 0 1 240.297 3.120 20 0 BGADMN C[C@@H](c1ccncc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000685591068 487560431 /nfs/dbraw/zinc/56/04/31/487560431.db2.gz CEOZWGYQQPXCFZ-QWRGUYRKSA-N 0 1 240.297 3.120 20 0 BGADMN C[C@H](c1ccncc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000685591069 487560470 /nfs/dbraw/zinc/56/04/70/487560470.db2.gz CEOZWGYQQPXCFZ-WDEREUQCSA-N 0 1 240.297 3.120 20 0 BGADMN CCc1ccc(CC)c(NCc2[nH]ncc2C)c1 ZINC000685619241 487566340 /nfs/dbraw/zinc/56/63/40/487566340.db2.gz JKABUBOWSHWGRC-UHFFFAOYSA-N 0 1 243.354 3.455 20 0 BGADMN Cc1cn[nH]c1CNc1ccc(C2CC2)cc1 ZINC000685619955 487565738 /nfs/dbraw/zinc/56/57/38/487565738.db2.gz UWRBNCRWMAZOEW-UHFFFAOYSA-N 0 1 227.311 3.208 20 0 BGADMN CCc1ccc(NCc2[nH]ncc2C)cc1CC ZINC000685620204 487565729 /nfs/dbraw/zinc/56/57/29/487565729.db2.gz UWBSJLNAWXXMLF-UHFFFAOYSA-N 0 1 243.354 3.455 20 0 BGADMN Cc1c[nH]nc1CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000685834377 487584033 /nfs/dbraw/zinc/58/40/33/487584033.db2.gz MYGKFQRXCQCMPY-CORIIIEPSA-N 0 1 247.386 3.119 20 0 BGADMN Cc1c[nH]nc1CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000685834378 487583070 /nfs/dbraw/zinc/58/30/70/487583070.db2.gz MYGKFQRXCQCMPY-LNSITVRQSA-N 0 1 247.386 3.119 20 0 BGADMN Cc1c[nH]nc1CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000685834379 487583973 /nfs/dbraw/zinc/58/39/73/487583973.db2.gz MYGKFQRXCQCMPY-NJZAAPMLSA-N 0 1 247.386 3.119 20 0 BGADMN Cc1c[nH]nc1CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000685834380 487583153 /nfs/dbraw/zinc/58/31/53/487583153.db2.gz MYGKFQRXCQCMPY-WHOFXGATSA-N 0 1 247.386 3.119 20 0 BGADMN Cc1c[nH]nc1CN1CCC(CCC(C)C)CC1 ZINC000685838900 487585698 /nfs/dbraw/zinc/58/56/98/487585698.db2.gz GAKUWLNBZJPFIE-UHFFFAOYSA-N 0 1 249.402 3.366 20 0 BGADMN CSc1ccc(CN2CC=CCC2)s1 ZINC000685843077 487586332 /nfs/dbraw/zinc/58/63/32/487586332.db2.gz HBQPHJBYNVJCAV-UHFFFAOYSA-N 0 1 225.382 3.232 20 0 BGADMN Cc1cn[nH]c1CN(C)c1cccc(C(C)C)c1 ZINC000685843413 487586621 /nfs/dbraw/zinc/58/66/21/487586621.db2.gz QHRUOTNRBQHBOY-UHFFFAOYSA-N 0 1 243.354 3.478 20 0 BGADMN CC(C)(NCC1Cc2ccccc2C1)C(F)F ZINC000685845800 487586778 /nfs/dbraw/zinc/58/67/78/487586778.db2.gz YRIUFQBBOLLTEW-UHFFFAOYSA-N 0 1 239.309 3.035 20 0 BGADMN Cc1c[nH]nc1CN(C)C(C)(C)c1ccccc1 ZINC000685846838 487587799 /nfs/dbraw/zinc/58/77/99/487587799.db2.gz KKWARANOVJSEMN-UHFFFAOYSA-N 0 1 243.354 3.085 20 0 BGADMN CC[C@H](COC)Nc1ccnc2cc(F)ccc21 ZINC000685908906 487593783 /nfs/dbraw/zinc/59/37/83/487593783.db2.gz ODOJPUCZGWKUEO-LLVKDONJSA-N 0 1 248.301 3.211 20 0 BGADMN CC[C@@H](COC)Nc1ccnc2cc(F)ccc21 ZINC000685908907 487594191 /nfs/dbraw/zinc/59/41/91/487594191.db2.gz ODOJPUCZGWKUEO-NSHDSACASA-N 0 1 248.301 3.211 20 0 BGADMN Cc1nccc(N2CCC3(CC3)C2)c1Cl ZINC000685918367 487596486 /nfs/dbraw/zinc/59/64/86/487596486.db2.gz KGEDZTZMZFIDQL-UHFFFAOYSA-N 0 1 222.719 3.034 20 0 BGADMN Fc1ccc2c(c1)nccc2N1CCC2(CC2)C1 ZINC000685918821 487596538 /nfs/dbraw/zinc/59/65/38/487596538.db2.gz PAJAUALTWXFVEP-UHFFFAOYSA-N 0 1 242.297 3.364 20 0 BGADMN Cc1nccc(N2CC[C@@H](C(F)F)C2)c1Cl ZINC000685919423 487597387 /nfs/dbraw/zinc/59/73/87/487597387.db2.gz HJPDLTNHOFAVPR-MRVPVSSYSA-N 0 1 246.688 3.135 20 0 BGADMN Cc1nccc(N2CC[C@H](C(F)F)C2)c1Cl ZINC000685919424 487597431 /nfs/dbraw/zinc/59/74/31/487597431.db2.gz HJPDLTNHOFAVPR-QMMMGPOBSA-N 0 1 246.688 3.135 20 0 BGADMN CO[C@H](C)[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000685927355 487598270 /nfs/dbraw/zinc/59/82/70/487598270.db2.gz LPHUTZAKOQAHNF-NXEZZACHSA-N 0 1 248.301 3.209 20 0 BGADMN CO[C@@H](C)[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000685927358 487598320 /nfs/dbraw/zinc/59/83/20/487598320.db2.gz LPHUTZAKOQAHNF-ZJUUUORDSA-N 0 1 248.301 3.209 20 0 BGADMN CCC(C)(C)CC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000696732422 604455896 /nfs/dbraw/zinc/45/58/96/604455896.db2.gz ZLDRDLOGKVDPJT-UHFFFAOYSA-N 0 1 241.375 3.142 20 0 BGADMN CCC(F)(F)CNCCC(C)(C)SC ZINC000700129610 711986963 /nfs/dbraw/zinc/98/69/63/711986963.db2.gz UHRKZFUBUYPWTA-UHFFFAOYSA-N 0 1 225.348 3.153 20 0 BGADMN Cc1cnc(CNCC2CCC3(CC3)CC2)o1 ZINC000700392703 711991589 /nfs/dbraw/zinc/99/15/89/711991589.db2.gz ZPDUPDZXPLCNGZ-UHFFFAOYSA-N 0 1 234.343 3.043 20 0 BGADMN CCC(F)(F)C(C)(C)CNCc1cc(C)on1 ZINC000700715142 712004517 /nfs/dbraw/zinc/00/45/17/712004517.db2.gz MBJFUQMXDNMAHG-UHFFFAOYSA-N 0 1 246.301 3.144 20 0 BGADMN CCCCCC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000701223526 600711765 /nfs/dbraw/zinc/71/17/65/600711765.db2.gz PBEBBIXBWCSFSO-UHFFFAOYSA-N 0 1 249.354 3.154 20 0 BGADMN CC(C)CC1(NC/C(Cl)=C\Cl)CC1 ZINC000701497561 712025080 /nfs/dbraw/zinc/02/50/80/712025080.db2.gz IDFBALIUWNSSDN-RMKNXTFCSA-N 0 1 222.159 3.474 20 0 BGADMN CC(C)CC1(NC/C(Cl)=C/Cl)CC1 ZINC000701497562 712024771 /nfs/dbraw/zinc/02/47/71/712024771.db2.gz IDFBALIUWNSSDN-TWGQIWQCSA-N 0 1 222.159 3.474 20 0 BGADMN CCC[N@@H+](Cc1ccc(C)c(C(=O)[O-])c1)C1CC1 ZINC000701825171 712029926 /nfs/dbraw/zinc/02/99/26/712029926.db2.gz DCWVAASELCPCSE-UHFFFAOYSA-N 0 1 247.338 3.068 20 0 BGADMN Cc1ccc(C[N@H+](C)C2CCCC2)cc1C(=O)[O-] ZINC000701828879 712030292 /nfs/dbraw/zinc/03/02/92/712030292.db2.gz CPCPRBYCOSTAEA-UHFFFAOYSA-N 0 1 247.338 3.068 20 0 BGADMN Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000701830552 712029911 /nfs/dbraw/zinc/02/99/11/712029911.db2.gz OYTKJAFPRLIRIO-GFCCVEGCSA-N 0 1 247.338 3.068 20 0 BGADMN Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000701830553 712029930 /nfs/dbraw/zinc/02/99/30/712029930.db2.gz OYTKJAFPRLIRIO-LBPRGKRZSA-N 0 1 247.338 3.068 20 0 BGADMN CC[N@H+](Cc1ccc(C)c(C(=O)[O-])c1)CC(C)C ZINC000701831963 712030031 /nfs/dbraw/zinc/03/00/31/712030031.db2.gz DFCQPILYVABGIC-UHFFFAOYSA-N 0 1 249.354 3.171 20 0 BGADMN Cc1ccc(C[N@H+]2CCCC2(C)C)cc1C(=O)[O-] ZINC000701832453 712029944 /nfs/dbraw/zinc/02/99/44/712029944.db2.gz UMGGBKKROZVJRV-UHFFFAOYSA-N 0 1 247.338 3.068 20 0 BGADMN Cc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1C(=O)[O-] ZINC000701833312 712355918 /nfs/dbraw/zinc/35/59/18/712355918.db2.gz IOHNYJSYFLIZMX-GFCCVEGCSA-N 0 1 249.354 3.170 20 0 BGADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1C(=O)[O-] ZINC000701833314 712030042 /nfs/dbraw/zinc/03/00/42/712030042.db2.gz IOHNYJSYFLIZMX-LBPRGKRZSA-N 0 1 249.354 3.170 20 0 BGADMN CC[C@@H](C)C[N@@H+](C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701833467 712030123 /nfs/dbraw/zinc/03/01/23/712030123.db2.gz JUYFYZRFLPNXGA-LLVKDONJSA-N 0 1 249.354 3.171 20 0 BGADMN CC[C@H](C)C[N@@H+](C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701833471 712029886 /nfs/dbraw/zinc/02/98/86/712029886.db2.gz JUYFYZRFLPNXGA-NSHDSACASA-N 0 1 249.354 3.171 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701834120 712030093 /nfs/dbraw/zinc/03/00/93/712030093.db2.gz NKCXFROFPJWYBX-GFCCVEGCSA-N 0 1 249.354 3.314 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701834122 712030206 /nfs/dbraw/zinc/03/02/06/712030206.db2.gz NKCXFROFPJWYBX-LBPRGKRZSA-N 0 1 249.354 3.314 20 0 BGADMN Cc1ccc(C[N@H+](C)CCC(C)C)cc1C(=O)[O-] ZINC000701834191 712030299 /nfs/dbraw/zinc/03/02/99/712030299.db2.gz NXMYLIPMJTVBCX-UHFFFAOYSA-N 0 1 249.354 3.171 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701835334 712030878 /nfs/dbraw/zinc/03/08/78/712030878.db2.gz VQZWAXZCKOENAW-GFCCVEGCSA-N 0 1 249.354 3.314 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701835337 712030998 /nfs/dbraw/zinc/03/09/98/712030998.db2.gz VQZWAXZCKOENAW-LBPRGKRZSA-N 0 1 249.354 3.314 20 0 BGADMN CCCC[N@@H+](CC)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701835661 712030991 /nfs/dbraw/zinc/03/09/91/712030991.db2.gz YMRTVOQFJCOHGL-UHFFFAOYSA-N 0 1 249.354 3.315 20 0 BGADMN CCc1nnc(CN[C@H](C)C[C@H](C)CC)s1 ZINC000702691746 712059480 /nfs/dbraw/zinc/05/94/80/712059480.db2.gz SJCPFGSYPTYIEV-NXEZZACHSA-N 0 1 241.404 3.015 20 0 BGADMN CCc1nnc(CN[C@@H](C)C[C@@H](C)CC)s1 ZINC000702691750 712059266 /nfs/dbraw/zinc/05/92/66/712059266.db2.gz SJCPFGSYPTYIEV-UWVGGRQHSA-N 0 1 241.404 3.015 20 0 BGADMN CCc1nnc(CN[C@H](C)C[C@@H](C)CC)s1 ZINC000702691754 712059492 /nfs/dbraw/zinc/05/94/92/712059492.db2.gz SJCPFGSYPTYIEV-VHSXEESVSA-N 0 1 241.404 3.015 20 0 BGADMN CCc1nnc(CN[C@@H](C)C[C@H](C)CC)s1 ZINC000702691756 712059490 /nfs/dbraw/zinc/05/94/90/712059490.db2.gz SJCPFGSYPTYIEV-ZJUUUORDSA-N 0 1 241.404 3.015 20 0 BGADMN Cc1ccccc1CNCc1ccc(Cl)cn1 ZINC000703865444 712091647 /nfs/dbraw/zinc/09/16/47/712091647.db2.gz CGXFSPYDBJYGHW-UHFFFAOYSA-N 0 1 246.741 3.333 20 0 BGADMN Cc1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000703865457 712091962 /nfs/dbraw/zinc/09/19/62/712091962.db2.gz CVFNCGHSXKEIJI-UHFFFAOYSA-N 0 1 246.741 3.333 20 0 BGADMN Cc1nnc([C@H](C)NCCCCC(C)C)s1 ZINC000703976962 712097472 /nfs/dbraw/zinc/09/74/72/712097472.db2.gz RCKWMCWFMKEFHF-JTQLQIEISA-N 0 1 241.404 3.323 20 0 BGADMN Cc1nnc([C@@H](C)NCCCCC(C)C)s1 ZINC000703976964 712097495 /nfs/dbraw/zinc/09/74/95/712097495.db2.gz RCKWMCWFMKEFHF-SNVBAGLBSA-N 0 1 241.404 3.323 20 0 BGADMN CCc1nnc(CNCCCCC(C)C)s1 ZINC000703977991 712097504 /nfs/dbraw/zinc/09/75/04/712097504.db2.gz ZZJIDXLUAWPFPD-UHFFFAOYSA-N 0 1 241.404 3.016 20 0 BGADMN CC(C)CCCCN[C@@H](C)c1csnn1 ZINC000703986273 712098034 /nfs/dbraw/zinc/09/80/34/712098034.db2.gz CAIYKVYWVMGTIN-JTQLQIEISA-N 0 1 227.377 3.015 20 0 BGADMN CC(C)CCCCN[C@H](C)c1csnn1 ZINC000703986274 712097859 /nfs/dbraw/zinc/09/78/59/712097859.db2.gz CAIYKVYWVMGTIN-SNVBAGLBSA-N 0 1 227.377 3.015 20 0 BGADMN CCC(F)(F)CN[C@@H]1CCC[C@@H](SC)C1 ZINC000704716704 712114328 /nfs/dbraw/zinc/11/43/28/712114328.db2.gz DCIVDRWRKKUATQ-NXEZZACHSA-N 0 1 237.359 3.296 20 0 BGADMN CCC(F)(F)CN[C@H]1CCC[C@H](SC)C1 ZINC000704716706 712114382 /nfs/dbraw/zinc/11/43/82/712114382.db2.gz DCIVDRWRKKUATQ-UWVGGRQHSA-N 0 1 237.359 3.296 20 0 BGADMN CCC(F)(F)CN[C@H]1CCC[C@@H](SC)C1 ZINC000704716707 712113861 /nfs/dbraw/zinc/11/38/61/712113861.db2.gz DCIVDRWRKKUATQ-VHSXEESVSA-N 0 1 237.359 3.296 20 0 BGADMN CCC(F)(F)CN[C@@H]1CCC[C@H](SC)C1 ZINC000704716709 712114264 /nfs/dbraw/zinc/11/42/64/712114264.db2.gz DCIVDRWRKKUATQ-ZJUUUORDSA-N 0 1 237.359 3.296 20 0 BGADMN CCC(F)(F)CN[C@H]1CCCC2(CC2)C1 ZINC000704724589 712113949 /nfs/dbraw/zinc/11/39/49/712113949.db2.gz UDOKLBPAPPOSIS-JTQLQIEISA-N 0 1 217.303 3.344 20 0 BGADMN CCC(F)(F)CN[C@@H]1CCCC2(CC2)C1 ZINC000704724596 712113700 /nfs/dbraw/zinc/11/37/00/712113700.db2.gz UDOKLBPAPPOSIS-SNVBAGLBSA-N 0 1 217.303 3.344 20 0 BGADMN CC(F)(F)CN[C@H](C1CC1)C(C)(C)C ZINC000704758800 712115280 /nfs/dbraw/zinc/11/52/80/712115280.db2.gz HGGWLOXXZIXRSI-SECBINFHSA-N 0 1 205.292 3.056 20 0 BGADMN CC(F)(F)CN[C@@H](C1CC1)C(C)(C)C ZINC000704758801 712115745 /nfs/dbraw/zinc/11/57/45/712115745.db2.gz HGGWLOXXZIXRSI-VIFPVBQESA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H](c1ccco1)N(C)CCC(=O)C(C)(C)C ZINC000706405058 712144935 /nfs/dbraw/zinc/14/49/35/712144935.db2.gz QIACXQGUBNXWTD-LLVKDONJSA-N 0 1 237.343 3.278 20 0 BGADMN C[C@@H](c1ccco1)N(C)CCC(=O)C(C)(C)C ZINC000706405059 712145021 /nfs/dbraw/zinc/14/50/21/712145021.db2.gz QIACXQGUBNXWTD-NSHDSACASA-N 0 1 237.343 3.278 20 0 BGADMN CC1(C)C[C@]1(C)CNCc1ncc(Cl)s1 ZINC000706466822 712146565 /nfs/dbraw/zinc/14/65/65/712146565.db2.gz RTVWSUUEQVSYGA-LLVKDONJSA-N 0 1 244.791 3.322 20 0 BGADMN CC1(C)C[C@@]1(C)CNCc1ncc(Cl)s1 ZINC000706466823 712146755 /nfs/dbraw/zinc/14/67/55/712146755.db2.gz RTVWSUUEQVSYGA-NSHDSACASA-N 0 1 244.791 3.322 20 0 BGADMN Cc1ccc(CN2[C@H](C)CC[C@H]2C)c(Cl)n1 ZINC000706480002 712147333 /nfs/dbraw/zinc/14/73/33/712147333.db2.gz XZEBEICWWBFLLC-GHMZBOCLSA-N 0 1 238.762 3.416 20 0 BGADMN Cc1ccc(CN2[C@H](C)CC[C@@H]2C)c(Cl)n1 ZINC000706480003 712147080 /nfs/dbraw/zinc/14/70/80/712147080.db2.gz XZEBEICWWBFLLC-PHIMTYICSA-N 0 1 238.762 3.416 20 0 BGADMN Cc1ccc(CN2[C@@H](C)CC[C@@H]2C)c(Cl)n1 ZINC000706480004 712147449 /nfs/dbraw/zinc/14/74/49/712147449.db2.gz XZEBEICWWBFLLC-QWRGUYRKSA-N 0 1 238.762 3.416 20 0 BGADMN Clc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccn1 ZINC000706756221 712154035 /nfs/dbraw/zinc/15/40/35/712154035.db2.gz BAMJCSIULYNFLN-RYUDHWBXSA-N 0 1 236.746 3.109 20 0 BGADMN CCN(Cc1cccnc1Cl)C1CCC1 ZINC000706757783 712153793 /nfs/dbraw/zinc/15/37/93/712153793.db2.gz GIXGJBZFIVLZJR-UHFFFAOYSA-N 0 1 224.735 3.109 20 0 BGADMN Clc1cccc(CN2C[C@@H]3CCCC[C@@H]32)n1 ZINC000706758623 712154626 /nfs/dbraw/zinc/15/46/26/712154626.db2.gz LGGHMGIVCZFZOW-JQWIXIFHSA-N 0 1 236.746 3.109 20 0 BGADMN CCN(Cc1cnc(Cl)s1)C1CCC1 ZINC000706759455 712154830 /nfs/dbraw/zinc/15/48/30/712154830.db2.gz NWHNCWXKMNEXGJ-UHFFFAOYSA-N 0 1 230.764 3.171 20 0 BGADMN CCN(Cc1ccc(C)nc1Cl)C1CCC1 ZINC000706759908 712154954 /nfs/dbraw/zinc/15/49/54/712154954.db2.gz DBFNDFFTNYYKSP-UHFFFAOYSA-N 0 1 238.762 3.418 20 0 BGADMN Clc1ncccc1CN1CCC12CCCC2 ZINC000707130144 712165517 /nfs/dbraw/zinc/16/55/17/712165517.db2.gz DRSDCEXBPURONJ-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN Clc1ccc(CN2CCC23CCCC3)cn1 ZINC000707130285 712165391 /nfs/dbraw/zinc/16/53/91/712165391.db2.gz GHSZXLHVRDZCIY-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN Clc1cc(CN2CCC23CCCC3)ccn1 ZINC000707130385 712165512 /nfs/dbraw/zinc/16/55/12/712165512.db2.gz JTSISXDMJXHFJY-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN Clc1cccc(CN2CCC23CCCC3)n1 ZINC000707132264 712165265 /nfs/dbraw/zinc/16/52/65/712165265.db2.gz ZTMMKBGNFPUENB-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN Cc1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000707405183 712170298 /nfs/dbraw/zinc/17/02/98/712170298.db2.gz ZOFYONCFCPCZRB-UHFFFAOYSA-N 0 1 246.741 3.333 20 0 BGADMN CC1(C)CC[C@H]1NCc1ncccc1Cl ZINC000707457517 712171099 /nfs/dbraw/zinc/17/10/99/712171099.db2.gz UAXIBJHXGHRDLJ-LLVKDONJSA-N 0 1 224.735 3.013 20 0 BGADMN CC1(C)CC[C@@H]1NCc1ncccc1Cl ZINC000707457518 712170664 /nfs/dbraw/zinc/17/06/64/712170664.db2.gz UAXIBJHXGHRDLJ-NSHDSACASA-N 0 1 224.735 3.013 20 0 BGADMN Cc1nc(CN2CCC3(CCCC3)CC2)[nH]c1C ZINC000709065832 712207230 /nfs/dbraw/zinc/20/72/30/712207230.db2.gz OUIHKOGXNBSICC-UHFFFAOYSA-N 0 1 247.386 3.183 20 0 BGADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709094311 712208066 /nfs/dbraw/zinc/20/80/66/712208066.db2.gz BJWMFBRHYXMENI-GFCCVEGCSA-N 0 1 243.391 3.244 20 0 BGADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709094313 712208112 /nfs/dbraw/zinc/20/81/12/712208112.db2.gz BJWMFBRHYXMENI-LBPRGKRZSA-N 0 1 243.391 3.244 20 0 BGADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709098041 712208665 /nfs/dbraw/zinc/20/86/65/712208665.db2.gz PHAXRYYVRXAMFJ-NEPJUHHUSA-N 0 1 243.391 3.244 20 0 BGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709098042 712208873 /nfs/dbraw/zinc/20/88/73/712208873.db2.gz PHAXRYYVRXAMFJ-NWDGAFQWSA-N 0 1 243.391 3.244 20 0 BGADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709098043 712208545 /nfs/dbraw/zinc/20/85/45/712208545.db2.gz PHAXRYYVRXAMFJ-RYUDHWBXSA-N 0 1 243.391 3.244 20 0 BGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709098044 712208801 /nfs/dbraw/zinc/20/88/01/712208801.db2.gz PHAXRYYVRXAMFJ-VXGBXAGGSA-N 0 1 243.391 3.244 20 0 BGADMN CC(C)C[N@H+](CC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709098780 712208690 /nfs/dbraw/zinc/20/86/90/712208690.db2.gz RRJCTJAMRMFBBS-GFCCVEGCSA-N 0 1 243.391 3.101 20 0 BGADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709098790 712208567 /nfs/dbraw/zinc/20/85/67/712208567.db2.gz RRJCTJAMRMFBBS-LBPRGKRZSA-N 0 1 243.391 3.101 20 0 BGADMN C[C@@H](CN[C@H](C)c1csnn1)CC(C)(C)C ZINC000709099085 712208671 /nfs/dbraw/zinc/20/86/71/712208671.db2.gz BCEOWLSWQJVGLT-NXEZZACHSA-N 0 1 241.404 3.261 20 0 BGADMN C[C@H](CN[C@@H](C)c1csnn1)CC(C)(C)C ZINC000709099086 712208838 /nfs/dbraw/zinc/20/88/38/712208838.db2.gz BCEOWLSWQJVGLT-UWVGGRQHSA-N 0 1 241.404 3.261 20 0 BGADMN C[C@@H](NC[C@@H](C)CC(C)(C)C)c1csnn1 ZINC000709099087 712208807 /nfs/dbraw/zinc/20/88/07/712208807.db2.gz BCEOWLSWQJVGLT-VHSXEESVSA-N 0 1 241.404 3.261 20 0 BGADMN C[C@@H](CN[C@@H](C)c1csnn1)CC(C)(C)C ZINC000709099088 712208798 /nfs/dbraw/zinc/20/87/98/712208798.db2.gz BCEOWLSWQJVGLT-ZJUUUORDSA-N 0 1 241.404 3.261 20 0 BGADMN Cc1cc(CN[C@H](C)[C@]23C[C@H]2CCCC3)no1 ZINC000709139977 712209869 /nfs/dbraw/zinc/20/98/69/712209869.db2.gz DWQXTBNTEYVOHS-BZPMIXESSA-N 0 1 234.343 3.041 20 0 BGADMN Cc1cc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)no1 ZINC000709139980 712210084 /nfs/dbraw/zinc/21/00/84/712210084.db2.gz DWQXTBNTEYVOHS-MBNYWOFBSA-N 0 1 234.343 3.041 20 0 BGADMN Cc1cnc(CN[C@H](C)[C@]23C[C@H]2CCCC3)o1 ZINC000709148079 712210771 /nfs/dbraw/zinc/21/07/71/712210771.db2.gz TVBUVXXNXJXZPF-BZPMIXESSA-N 0 1 234.343 3.041 20 0 BGADMN Cc1cnc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)o1 ZINC000709148082 712210721 /nfs/dbraw/zinc/21/07/21/712210721.db2.gz TVBUVXXNXJXZPF-MBNYWOFBSA-N 0 1 234.343 3.041 20 0 BGADMN Cc1nc(CN[C@H](C)[C@]23C[C@H]2CCCC3)oc1C ZINC000709151426 712210690 /nfs/dbraw/zinc/21/06/90/712210690.db2.gz MLDHEVHTOOTAAJ-NFAWXSAZSA-N 0 1 248.370 3.350 20 0 BGADMN Cc1nc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)oc1C ZINC000709151432 712210570 /nfs/dbraw/zinc/21/05/70/712210570.db2.gz MLDHEVHTOOTAAJ-VNHYZAJKSA-N 0 1 248.370 3.350 20 0 BGADMN CCc1cnc(CN[C@H](C)[C@]23C[C@H]2CCCC3)o1 ZINC000709153236 712210633 /nfs/dbraw/zinc/21/06/33/712210633.db2.gz PTFPPNHLUAJYOT-JMSVASOKSA-N 0 1 248.370 3.295 20 0 BGADMN CCc1cnc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)o1 ZINC000709153239 712210698 /nfs/dbraw/zinc/21/06/98/712210698.db2.gz PTFPPNHLUAJYOT-TYNCELHUSA-N 0 1 248.370 3.295 20 0 BGADMN Cc1ccc([C@@H](C)N[C@H](C)c2cn(C)cn2)s1 ZINC000709923067 712233483 /nfs/dbraw/zinc/23/34/83/712233483.db2.gz YQSMVYWCQPSBDT-GHMZBOCLSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccc([C@H](C)N[C@H](C)c2cn(C)cn2)s1 ZINC000709923075 712233687 /nfs/dbraw/zinc/23/36/87/712233687.db2.gz YQSMVYWCQPSBDT-MNOVXSKESA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H](C)c2cn(C)cn2)s1 ZINC000709923079 712233562 /nfs/dbraw/zinc/23/35/62/712233562.db2.gz YQSMVYWCQPSBDT-QWRGUYRKSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cn(C)cn2)s1 ZINC000709923081 712233423 /nfs/dbraw/zinc/23/34/23/712233423.db2.gz YQSMVYWCQPSBDT-WDEREUQCSA-N 0 1 249.383 3.202 20 0 BGADMN CC(C)[C@@H](N)c1noc(C2CCC3(CC3)CC2)n1 ZINC000709958066 712235056 /nfs/dbraw/zinc/23/50/56/712235056.db2.gz MTBQXSDVQAMPFX-LLVKDONJSA-N 0 1 249.358 3.163 20 0 BGADMN CC(C)[C@H](N)c1noc(C2CCC3(CC3)CC2)n1 ZINC000709958067 712235257 /nfs/dbraw/zinc/23/52/57/712235257.db2.gz MTBQXSDVQAMPFX-NSHDSACASA-N 0 1 249.358 3.163 20 0 BGADMN CC[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709974893 712236117 /nfs/dbraw/zinc/23/61/17/712236117.db2.gz BSEWAGJJRKPBSG-GXTWGEPZSA-N 0 1 243.354 3.222 20 0 BGADMN CC[C@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709974894 712236091 /nfs/dbraw/zinc/23/60/91/712236091.db2.gz BSEWAGJJRKPBSG-JSGCOSHPSA-N 0 1 243.354 3.222 20 0 BGADMN CC[C@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709974895 712235692 /nfs/dbraw/zinc/23/56/92/712235692.db2.gz BSEWAGJJRKPBSG-OCCSQVGLSA-N 0 1 243.354 3.222 20 0 BGADMN CC[C@@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 ZINC000709974896 712236051 /nfs/dbraw/zinc/23/60/51/712236051.db2.gz BSEWAGJJRKPBSG-TZMCWYRMSA-N 0 1 243.354 3.222 20 0 BGADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1cn(C)cn1 ZINC000709974956 712235810 /nfs/dbraw/zinc/23/58/10/712235810.db2.gz DTCSLKAAJOEIGT-CHWSQXEVSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cn(C)cn1 ZINC000709974957 712235779 /nfs/dbraw/zinc/23/57/79/712235779.db2.gz DTCSLKAAJOEIGT-OLZOCXBDSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@@H](C)N[C@H](C)c2cn(C)cn2)cc1 ZINC000709977318 712236639 /nfs/dbraw/zinc/23/66/39/712236639.db2.gz QFJROARSTOKHDS-CHWSQXEVSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cn(C)cn2)cc1 ZINC000709977319 712236595 /nfs/dbraw/zinc/23/65/95/712236595.db2.gz QFJROARSTOKHDS-OLZOCXBDSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@H](C)N[C@H](C)c2cn(C)cn2)cc1 ZINC000709977320 712236669 /nfs/dbraw/zinc/23/66/69/712236669.db2.gz QFJROARSTOKHDS-QWHCGFSZSA-N 0 1 243.354 3.140 20 0 BGADMN Cc1ccc([C@H](C)N[C@@H](C)c2cn(C)cn2)cc1 ZINC000709977321 712236733 /nfs/dbraw/zinc/23/67/33/712236733.db2.gz QFJROARSTOKHDS-STQMWFEESA-N 0 1 243.354 3.140 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000710138594 712245705 /nfs/dbraw/zinc/24/57/05/712245705.db2.gz ZGOAOKNJRBOAIN-GHMZBOCLSA-N 0 1 249.358 3.163 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000710138596 712245592 /nfs/dbraw/zinc/24/55/92/712245592.db2.gz ZGOAOKNJRBOAIN-MNOVXSKESA-N 0 1 249.358 3.163 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000710138598 712245552 /nfs/dbraw/zinc/24/55/52/712245552.db2.gz ZGOAOKNJRBOAIN-QWRGUYRKSA-N 0 1 249.358 3.163 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000710138601 712245594 /nfs/dbraw/zinc/24/55/94/712245594.db2.gz ZGOAOKNJRBOAIN-WDEREUQCSA-N 0 1 249.358 3.163 20 0 BGADMN Cc1ccc(CN2CCC(C)CC2)c(Cl)n1 ZINC000711168251 712287440 /nfs/dbraw/zinc/28/74/40/712287440.db2.gz CYWPPMQBFUVSFQ-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN Cc1ccc(CN(C)CC(C)C)c(Cl)n1 ZINC000711171020 712288280 /nfs/dbraw/zinc/28/82/80/712288280.db2.gz LQWDPGQRQNPSRE-UHFFFAOYSA-N 0 1 226.751 3.131 20 0 BGADMN CCN(Cc1ccc(C)nc1Cl)CC1CC1 ZINC000711171958 712288324 /nfs/dbraw/zinc/28/83/24/712288324.db2.gz PFXWTRRIUKHCQQ-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711378188 712296284 /nfs/dbraw/zinc/29/62/84/712296284.db2.gz MZGGODVJQAQBIQ-SECBINFHSA-N 0 1 241.356 3.067 20 0 BGADMN CCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711378190 712296068 /nfs/dbraw/zinc/29/60/68/712296068.db2.gz MZGGODVJQAQBIQ-VIFPVBQESA-N 0 1 241.356 3.067 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1cc(C(=O)[O-])cs1 ZINC000711378853 712295991 /nfs/dbraw/zinc/29/59/91/712295991.db2.gz RILVJTCBWLVOEH-SECBINFHSA-N 0 1 241.356 3.067 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1cc(C(=O)[O-])cs1 ZINC000711378854 712296287 /nfs/dbraw/zinc/29/62/87/712296287.db2.gz RILVJTCBWLVOEH-VIFPVBQESA-N 0 1 241.356 3.067 20 0 BGADMN CCCC[N@@H+](CC)Cc1cc(C(=O)[O-])cs1 ZINC000711395320 712297515 /nfs/dbraw/zinc/29/75/15/712297515.db2.gz VVSYQJCNTMGHAO-UHFFFAOYSA-N 0 1 241.356 3.068 20 0 BGADMN [O-]c1cccc(C[NH2+]C[C@H]2C=CCC2)c1Cl ZINC000711749506 712324289 /nfs/dbraw/zinc/32/42/89/712324289.db2.gz LVFWTNHSNKBCED-JTQLQIEISA-N 0 1 237.730 3.101 20 0 BGADMN [O-]c1cccc(C[NH2+]C[C@@H]2C=CCC2)c1Cl ZINC000711749509 712323785 /nfs/dbraw/zinc/32/37/85/712323785.db2.gz LVFWTNHSNKBCED-SNVBAGLBSA-N 0 1 237.730 3.101 20 0 BGADMN c1cn(C2CC2)c(CN[C@@H]2CC23CCCCC3)n1 ZINC000711773155 712328813 /nfs/dbraw/zinc/32/88/13/712328813.db2.gz HZBTWXHLQNLZLB-CYBMUJFWSA-N 0 1 245.370 3.030 20 0 BGADMN c1cn(C2CC2)c(CN[C@H]2CC23CCCCC3)n1 ZINC000711773156 712328839 /nfs/dbraw/zinc/32/88/39/712328839.db2.gz HZBTWXHLQNLZLB-ZDUSSCGKSA-N 0 1 245.370 3.030 20 0 BGADMN c1cc(CNc2ccc3c(n2)CCCC3)sn1 ZINC000712301632 712395260 /nfs/dbraw/zinc/39/52/60/712395260.db2.gz ZSLULLXVWMWRPX-UHFFFAOYSA-N 0 1 245.351 3.029 20 0 BGADMN c1nc(CNc2ccc3c(n2)CCCC3)cs1 ZINC000712363187 712427751 /nfs/dbraw/zinc/42/77/51/712427751.db2.gz JVEPFKPZGLRMIQ-UHFFFAOYSA-N 0 1 245.351 3.029 20 0 BGADMN c1csc(CNc2ccc3c(n2)CCCC3)n1 ZINC000712363596 712427677 /nfs/dbraw/zinc/42/76/77/712427677.db2.gz MKNOWCPHJGQCLJ-UHFFFAOYSA-N 0 1 245.351 3.029 20 0 BGADMN c1cc(NC[C@H]2CCSC2)nc2c1CCCC2 ZINC000712363698 712427680 /nfs/dbraw/zinc/42/76/80/712427680.db2.gz NYCYAPZMKWMINU-LLVKDONJSA-N 0 1 248.395 3.125 20 0 BGADMN c1cc(NC[C@@H]2CCSC2)nc2c1CCCC2 ZINC000712363699 712427630 /nfs/dbraw/zinc/42/76/30/712427630.db2.gz NYCYAPZMKWMINU-NSHDSACASA-N 0 1 248.395 3.125 20 0 BGADMN C=C/C=C\CCNCc1ncc(Cl)s1 ZINC000713446633 712460257 /nfs/dbraw/zinc/46/02/57/712460257.db2.gz BVRXWEMTPQGDMT-ARJAWSKDSA-N 0 1 228.748 3.018 20 0 BGADMN C=C/C=C/CCNCc1ncc(Cl)s1 ZINC000713446634 712460054 /nfs/dbraw/zinc/46/00/54/712460054.db2.gz BVRXWEMTPQGDMT-ONEGZZNKSA-N 0 1 228.748 3.018 20 0 BGADMN C=C/C=C\CCn1c(C)nc2c1CCCC2 ZINC000713730956 712470840 /nfs/dbraw/zinc/47/08/40/712470840.db2.gz ZREWAVOLDDXMFZ-PLNGDYQASA-N 0 1 216.328 3.203 20 0 BGADMN C=C/C=C/CCn1c(C)nc2c1CCCC2 ZINC000713730957 712470543 /nfs/dbraw/zinc/47/05/43/712470543.db2.gz ZREWAVOLDDXMFZ-SNAWJCMRSA-N 0 1 216.328 3.203 20 0 BGADMN C=C/C=C\CCNCc1csc(C2CC2)n1 ZINC000713744741 712471066 /nfs/dbraw/zinc/47/10/66/712471066.db2.gz DDKCXGOUUOYVMT-ARJAWSKDSA-N 0 1 234.368 3.242 20 0 BGADMN C=C/C=C/CCNCc1csc(C2CC2)n1 ZINC000713744742 712470913 /nfs/dbraw/zinc/47/09/13/712470913.db2.gz DDKCXGOUUOYVMT-ONEGZZNKSA-N 0 1 234.368 3.242 20 0 BGADMN C=C/C=C\CCN1CCC=C(Br)C1 ZINC000713751902 712471463 /nfs/dbraw/zinc/47/14/63/712471463.db2.gz IMFCQOWCNWZLAW-ARJAWSKDSA-N 0 1 242.160 3.103 20 0 BGADMN C=C/C=C/CCN1CCC=C(Br)C1 ZINC000713751904 712471546 /nfs/dbraw/zinc/47/15/46/712471546.db2.gz IMFCQOWCNWZLAW-ONEGZZNKSA-N 0 1 242.160 3.103 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2CCCC[C@@H]2C)n1 ZINC000714444696 712489692 /nfs/dbraw/zinc/48/96/92/712489692.db2.gz DHRGLPVIHBMUIE-AXFHLTTASA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H]2CCCC[C@@H]2C)n1 ZINC000714444701 712489532 /nfs/dbraw/zinc/48/95/32/712489532.db2.gz DHRGLPVIHBMUIE-DCAQKATOSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2CCCC[C@H]2C)n1 ZINC000714444705 712489861 /nfs/dbraw/zinc/48/98/61/712489861.db2.gz DHRGLPVIHBMUIE-MXWKQRLJSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H]2CCCC[C@H]2C)n1 ZINC000714444708 712489659 /nfs/dbraw/zinc/48/96/59/712489659.db2.gz DHRGLPVIHBMUIE-VWYCJHECSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)(C)c1csc(CN[C@@H]2CC23CC3)n1 ZINC000715261017 712515066 /nfs/dbraw/zinc/51/50/66/712515066.db2.gz MFTOMQJXLJGBIA-SECBINFHSA-N 0 1 236.384 3.083 20 0 BGADMN CC(C)(C)c1csc(CN[C@H]2CC23CC3)n1 ZINC000715261019 712515048 /nfs/dbraw/zinc/51/50/48/712515048.db2.gz MFTOMQJXLJGBIA-VIFPVBQESA-N 0 1 236.384 3.083 20 0 BGADMN C[C@@H](NCC[C@H]1CCCS1)c1cscn1 ZINC000715590772 712527864 /nfs/dbraw/zinc/52/78/64/712527864.db2.gz GRINLRFRFQLSOW-NXEZZACHSA-N 0 1 242.413 3.079 20 0 BGADMN C[C@H](NCC[C@@H]1CCCS1)c1cscn1 ZINC000715590773 712527755 /nfs/dbraw/zinc/52/77/55/712527755.db2.gz GRINLRFRFQLSOW-UWVGGRQHSA-N 0 1 242.413 3.079 20 0 BGADMN C[C@H](NCC[C@H]1CCCS1)c1cscn1 ZINC000715590774 712527791 /nfs/dbraw/zinc/52/77/91/712527791.db2.gz GRINLRFRFQLSOW-VHSXEESVSA-N 0 1 242.413 3.079 20 0 BGADMN C[C@@H](NCC[C@@H]1CCCS1)c1cscn1 ZINC000715590775 712527886 /nfs/dbraw/zinc/52/78/86/712527886.db2.gz GRINLRFRFQLSOW-ZJUUUORDSA-N 0 1 242.413 3.079 20 0 BGADMN Cc1ccnc(NCC[C@H]2CCCS2)c1 ZINC000715621708 712528224 /nfs/dbraw/zinc/52/82/24/712528224.db2.gz MWVUOXLHNMRRRM-LLVKDONJSA-N 0 1 222.357 3.088 20 0 BGADMN Cc1ccnc(NCC[C@@H]2CCCS2)c1 ZINC000715621710 712528233 /nfs/dbraw/zinc/52/82/33/712528233.db2.gz MWVUOXLHNMRRRM-NSHDSACASA-N 0 1 222.357 3.088 20 0 BGADMN Cc1cccc(NCC[C@H]2CCCS2)n1 ZINC000715627789 712528360 /nfs/dbraw/zinc/52/83/60/712528360.db2.gz XBRZUOMBAWZPJM-LLVKDONJSA-N 0 1 222.357 3.088 20 0 BGADMN Cc1cccc(NCC[C@@H]2CCCS2)n1 ZINC000715627790 712528212 /nfs/dbraw/zinc/52/82/12/712528212.db2.gz XBRZUOMBAWZPJM-NSHDSACASA-N 0 1 222.357 3.088 20 0 BGADMN C[C@H](N[C@H]1CCc2ccccc21)c1ccns1 ZINC000715923086 712542823 /nfs/dbraw/zinc/54/28/23/712542823.db2.gz UYSGFSQTTGCNOM-GWCFXTLKSA-N 0 1 244.363 3.481 20 0 BGADMN C[C@H](N[C@@H]1CCc2ccccc21)c1ccns1 ZINC000715923091 712542661 /nfs/dbraw/zinc/54/26/61/712542661.db2.gz UYSGFSQTTGCNOM-GXFFZTMASA-N 0 1 244.363 3.481 20 0 BGADMN C[C@@H](N[C@H]1CCc2ccccc21)c1ccns1 ZINC000715923095 712542433 /nfs/dbraw/zinc/54/24/33/712542433.db2.gz UYSGFSQTTGCNOM-MFKMUULPSA-N 0 1 244.363 3.481 20 0 BGADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccns1 ZINC000715923098 712542648 /nfs/dbraw/zinc/54/26/48/712542648.db2.gz UYSGFSQTTGCNOM-ZWNOBZJWSA-N 0 1 244.363 3.481 20 0 BGADMN COc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000715924991 712543019 /nfs/dbraw/zinc/54/30/19/712543019.db2.gz ANBYJDWXHJGVCH-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000715924993 712543385 /nfs/dbraw/zinc/54/33/85/712543385.db2.gz ANBYJDWXHJGVCH-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccns1 ZINC000715925203 712543052 /nfs/dbraw/zinc/54/30/52/712543052.db2.gz CVEZLTMIPDAONI-GXSJLCMTSA-N 0 1 248.351 3.464 20 0 BGADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccns1 ZINC000715925205 712543142 /nfs/dbraw/zinc/54/31/42/712543142.db2.gz CVEZLTMIPDAONI-KOLCDFICSA-N 0 1 248.351 3.464 20 0 BGADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccns1 ZINC000715925208 712543344 /nfs/dbraw/zinc/54/33/44/712543344.db2.gz CVEZLTMIPDAONI-MWLCHTKSSA-N 0 1 248.351 3.464 20 0 BGADMN C[C@H](N[C@H]1CCCc2occc21)c1ccns1 ZINC000715925210 712543077 /nfs/dbraw/zinc/54/30/77/712543077.db2.gz CVEZLTMIPDAONI-ONGXEEELSA-N 0 1 248.351 3.464 20 0 BGADMN COc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000715926691 712542945 /nfs/dbraw/zinc/54/29/45/712542945.db2.gz KYYAGTIVBJTQLD-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000715926693 712543355 /nfs/dbraw/zinc/54/33/55/712543355.db2.gz KYYAGTIVBJTQLD-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN C[C@@H](NCc1cccs1)c1ccns1 ZINC000715940809 712544607 /nfs/dbraw/zinc/54/46/07/712544607.db2.gz GFQQVQPAIJPNAC-MRVPVSSYSA-N 0 1 224.354 3.055 20 0 BGADMN C[C@H](NCc1cccs1)c1ccns1 ZINC000715940811 712544804 /nfs/dbraw/zinc/54/48/04/712544804.db2.gz GFQQVQPAIJPNAC-QMMMGPOBSA-N 0 1 224.354 3.055 20 0 BGADMN C[C@@H](NCc1ccsc1)c1ccns1 ZINC000715946687 712545155 /nfs/dbraw/zinc/54/51/55/712545155.db2.gz ZOCUKZRYGVPUCD-MRVPVSSYSA-N 0 1 224.354 3.055 20 0 BGADMN C[C@H](NCc1ccsc1)c1ccns1 ZINC000715946689 712545102 /nfs/dbraw/zinc/54/51/02/712545102.db2.gz ZOCUKZRYGVPUCD-QMMMGPOBSA-N 0 1 224.354 3.055 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccns2)cs1 ZINC000715995125 712551415 /nfs/dbraw/zinc/55/14/15/712551415.db2.gz BIJKWUZOKLUOIX-SECBINFHSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1cc(CN[C@@H](C)c2ccns2)cs1 ZINC000715995127 712551456 /nfs/dbraw/zinc/55/14/56/712551456.db2.gz BIJKWUZOKLUOIX-VIFPVBQESA-N 0 1 238.381 3.364 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccns2)s1 ZINC000715995166 712551242 /nfs/dbraw/zinc/55/12/42/712551242.db2.gz BVWNRFFOTYCDGY-SECBINFHSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccns2)s1 ZINC000715995168 712551372 /nfs/dbraw/zinc/55/13/72/712551372.db2.gz BVWNRFFOTYCDGY-VIFPVBQESA-N 0 1 238.381 3.364 20 0 BGADMN Cc1sccc1CN[C@H](C)c1ccns1 ZINC000715996956 712551609 /nfs/dbraw/zinc/55/16/09/712551609.db2.gz HSBKKGSGXSXPNS-MRVPVSSYSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1sccc1CN[C@@H](C)c1ccns1 ZINC000715996957 712551571 /nfs/dbraw/zinc/55/15/71/712551571.db2.gz HSBKKGSGXSXPNS-QMMMGPOBSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1ccsc1CN[C@H](C)c1ccns1 ZINC000716002017 712552211 /nfs/dbraw/zinc/55/22/11/712552211.db2.gz YIPASEHEOFBZFZ-SECBINFHSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1ccsc1CN[C@@H](C)c1ccns1 ZINC000716002020 712552129 /nfs/dbraw/zinc/55/21/29/712552129.db2.gz YIPASEHEOFBZFZ-VIFPVBQESA-N 0 1 238.381 3.364 20 0 BGADMN Cc1ccccc1CN[C@H](C)c1ccns1 ZINC000716031570 712547480 /nfs/dbraw/zinc/54/74/80/712547480.db2.gz RQDVEGSMVLMESE-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1ccccc1CN[C@@H](C)c1ccns1 ZINC000716031571 712547462 /nfs/dbraw/zinc/54/74/62/712547462.db2.gz RQDVEGSMVLMESE-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN C[C@@H](NCc1cccc(F)c1)c1ccns1 ZINC000716033361 712547228 /nfs/dbraw/zinc/54/72/28/712547228.db2.gz KQHXTDNWGPLLQS-SECBINFHSA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NCc1cccc(F)c1)c1ccns1 ZINC000716033363 712547205 /nfs/dbraw/zinc/54/72/05/712547205.db2.gz KQHXTDNWGPLLQS-VIFPVBQESA-N 0 1 236.315 3.133 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000716034239 712547655 /nfs/dbraw/zinc/54/76/55/712547655.db2.gz QNKKFGGVMTXMTC-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000716034240 712547777 /nfs/dbraw/zinc/54/77/77/712547777.db2.gz QNKKFGGVMTXMTC-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccns2)c1 ZINC000716034621 712547804 /nfs/dbraw/zinc/54/78/04/712547804.db2.gz RHVUAFRWGCUTFW-LLVKDONJSA-N 0 1 232.352 3.302 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2ccns2)c1 ZINC000716034622 712547595 /nfs/dbraw/zinc/54/75/95/712547595.db2.gz RHVUAFRWGCUTFW-NSHDSACASA-N 0 1 232.352 3.302 20 0 BGADMN C[C@@H](NCc1ccc(F)cc1)c1ccns1 ZINC000716035165 712547684 /nfs/dbraw/zinc/54/76/84/712547684.db2.gz VBGGSIYHTFVTRI-SECBINFHSA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NCc1ccc(F)cc1)c1ccns1 ZINC000716035168 712547747 /nfs/dbraw/zinc/54/77/47/712547747.db2.gz VBGGSIYHTFVTRI-VIFPVBQESA-N 0 1 236.315 3.133 20 0 BGADMN Cc1ccnc(NCC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000716044275 712548159 /nfs/dbraw/zinc/54/81/59/712548159.db2.gz QVZLDUQRPNOWEE-YHWZYXNKSA-N 0 1 248.395 3.476 20 0 BGADMN Cc1cccc(NCC2C[C@H]3CC[C@@H](C2)S3)n1 ZINC000716045194 712548043 /nfs/dbraw/zinc/54/80/43/712548043.db2.gz WLBNTRVRJIMGIA-YHWZYXNKSA-N 0 1 248.395 3.476 20 0 BGADMN Clc1cnc(CNCCCCC2CC2)s1 ZINC000716417989 712559579 /nfs/dbraw/zinc/55/95/79/712559579.db2.gz VTGWPMDISZVSRU-UHFFFAOYSA-N 0 1 244.791 3.466 20 0 BGADMN Cc1cn[nH]c1CNc1ccc2ccccc2c1 ZINC000716479500 712564914 /nfs/dbraw/zinc/56/49/14/712564914.db2.gz IPUMGKDVOYFAQV-UHFFFAOYSA-N 0 1 237.306 3.483 20 0 BGADMN Cc1ccnc(NC[C@H]2CCC3(CCC3)CO2)c1 ZINC000716543972 712567289 /nfs/dbraw/zinc/56/72/89/712567289.db2.gz ZBVCFOPGERVNAV-CYBMUJFWSA-N 0 1 246.354 3.151 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCC3(CCC3)CO2)c1 ZINC000716543974 712567194 /nfs/dbraw/zinc/56/71/94/712567194.db2.gz ZBVCFOPGERVNAV-ZDUSSCGKSA-N 0 1 246.354 3.151 20 0 BGADMN Cc1ccnc(NCC[C@H]2CCC3(CCC3)O2)c1 ZINC000717087284 712630214 /nfs/dbraw/zinc/63/02/14/712630214.db2.gz GCBFJSNXNQFLDG-CYBMUJFWSA-N 0 1 246.354 3.294 20 0 BGADMN Cc1ccnc(NCC[C@@H]2CCC3(CCC3)O2)c1 ZINC000717087297 712630241 /nfs/dbraw/zinc/63/02/41/712630241.db2.gz GCBFJSNXNQFLDG-ZDUSSCGKSA-N 0 1 246.354 3.294 20 0 BGADMN Cc1cccc(NCC[C@H]2CCC3(CCC3)O2)n1 ZINC000717087468 712630173 /nfs/dbraw/zinc/63/01/73/712630173.db2.gz GSKKOUWURBXYLQ-CYBMUJFWSA-N 0 1 246.354 3.294 20 0 BGADMN Cc1cccc(NCC[C@@H]2CCC3(CCC3)O2)n1 ZINC000717087473 712630211 /nfs/dbraw/zinc/63/02/11/712630211.db2.gz GSKKOUWURBXYLQ-ZDUSSCGKSA-N 0 1 246.354 3.294 20 0 BGADMN Cc1cccc(NCC[C@@H]2CC(C)(C)CO2)n1 ZINC000717292318 712645432 /nfs/dbraw/zinc/64/54/32/712645432.db2.gz KUWDGUUJQVAYMK-GFCCVEGCSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1cccc(NCC[C@H]2CC(C)(C)CO2)n1 ZINC000717292321 712645389 /nfs/dbraw/zinc/64/53/89/712645389.db2.gz KUWDGUUJQVAYMK-LBPRGKRZSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1ccnc(NCC[C@@H]2CC(C)(C)CO2)c1 ZINC000717293313 712645413 /nfs/dbraw/zinc/64/54/13/712645413.db2.gz PKIYUVPGZUIWPC-GFCCVEGCSA-N 0 1 234.343 3.007 20 0 BGADMN Cc1ccnc(NCC[C@H]2CC(C)(C)CO2)c1 ZINC000717293314 712645440 /nfs/dbraw/zinc/64/54/40/712645440.db2.gz PKIYUVPGZUIWPC-LBPRGKRZSA-N 0 1 234.343 3.007 20 0 BGADMN Clc1cnc(CNC2(C3CC3)CCC2)s1 ZINC000717883260 712731427 /nfs/dbraw/zinc/73/14/27/712731427.db2.gz LNRPVGGBTCTGRD-UHFFFAOYSA-N 0 1 242.775 3.219 20 0 BGADMN C[C@H](NCCF)c1ccc(C(F)(F)F)s1 ZINC000717960338 712735132 /nfs/dbraw/zinc/73/51/32/712735132.db2.gz FLUNFGBESRCLGO-LURJTMIESA-N 0 1 241.253 3.387 20 0 BGADMN C[C@@H](NCCF)c1ccc(C(F)(F)F)s1 ZINC000717960344 712735236 /nfs/dbraw/zinc/73/52/36/712735236.db2.gz FLUNFGBESRCLGO-ZCFIWIBFSA-N 0 1 241.253 3.387 20 0 BGADMN Cc1coc(CNCCOC2CCCCC2)c1 ZINC000718032952 712737674 /nfs/dbraw/zinc/73/76/74/712737674.db2.gz YARIXLTYNXJSDY-UHFFFAOYSA-N 0 1 237.343 3.027 20 0 BGADMN Cc1coc(CNCc2cc(C)cs2)c1 ZINC000718036457 712737426 /nfs/dbraw/zinc/73/74/26/712737426.db2.gz PVELWZWJSSATII-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN Cc1coc(CNCc2cc(C)cc(C)c2)c1 ZINC000718044202 712738266 /nfs/dbraw/zinc/73/82/66/712738266.db2.gz LLBWNBWIRQLDSZ-UHFFFAOYSA-N 0 1 229.323 3.495 20 0 BGADMN Cc1coc(CNc2ccc3c(c2)CN(C)C3)c1 ZINC000718050199 712738732 /nfs/dbraw/zinc/73/87/32/712738732.db2.gz AQGFGBNEJKKJKH-UHFFFAOYSA-N 0 1 242.322 3.146 20 0 BGADMN CCc1ccccc1CNCc1cc(C)co1 ZINC000718095280 712742375 /nfs/dbraw/zinc/74/23/75/712742375.db2.gz AHYNIBFUECLRJJ-UHFFFAOYSA-N 0 1 229.323 3.440 20 0 BGADMN Cc1coc(CN[C@@H]2CCc3ccccc32)c1 ZINC000718097057 712743043 /nfs/dbraw/zinc/74/30/43/712743043.db2.gz JYHOMGAVOAXQPV-OAHLLOKOSA-N 0 1 227.307 3.365 20 0 BGADMN COc1cccc([C@H](C)NCc2cc(C)co2)c1 ZINC000718097122 712743030 /nfs/dbraw/zinc/74/30/30/712743030.db2.gz KJGCJRXQHIEUAA-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@@H](C)NCc2cc(C)co2)cc1 ZINC000718097929 712742692 /nfs/dbraw/zinc/74/26/92/712742692.db2.gz NAWYXEBWQCEGLL-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COc1ccc([C@H](C)NCc2cc(C)co2)cc1 ZINC000718097932 712742774 /nfs/dbraw/zinc/74/27/74/712742774.db2.gz NAWYXEBWQCEGLL-LBPRGKRZSA-N 0 1 245.322 3.447 20 0 BGADMN COCc1ccccc1CNCc1cc(C)co1 ZINC000718106463 712743669 /nfs/dbraw/zinc/74/36/69/712743669.db2.gz BGVGTDNHBGLLFE-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN CCOc1cccc(CNCc2cc(C)co2)c1 ZINC000718107136 712743347 /nfs/dbraw/zinc/74/33/47/712743347.db2.gz GBULBOCOCWHVSF-UHFFFAOYSA-N 0 1 245.322 3.277 20 0 BGADMN COc1cccc([C@@H](C)NCc2cc(C)co2)c1 ZINC000718108061 712743420 /nfs/dbraw/zinc/74/34/20/712743420.db2.gz KJGCJRXQHIEUAA-GFCCVEGCSA-N 0 1 245.322 3.447 20 0 BGADMN COCc1cccc(CNCc2cc(C)co2)c1 ZINC000718108654 712743676 /nfs/dbraw/zinc/74/36/76/712743676.db2.gz LXYHQLKEMCAKNO-UHFFFAOYSA-N 0 1 245.322 3.024 20 0 BGADMN Cc1coc(CNCc2sccc2C)c1 ZINC000718116516 712744084 /nfs/dbraw/zinc/74/40/84/712744084.db2.gz BGEGCBNXINKKEQ-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN Cc1coc(CNCc2ccc(C)s2)c1 ZINC000718118810 712744003 /nfs/dbraw/zinc/74/40/03/712744003.db2.gz JXNBRFJOMDVKGG-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN Cc1coc(CN[C@H](C)CC(F)(F)F)c1 ZINC000718118953 712744233 /nfs/dbraw/zinc/74/42/33/712744233.db2.gz LDSQHMDZIBGUNF-MRVPVSSYSA-N 0 1 221.222 3.019 20 0 BGADMN Cc1coc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000718118955 712744204 /nfs/dbraw/zinc/74/42/04/712744204.db2.gz LDSQHMDZIBGUNF-QMMMGPOBSA-N 0 1 221.222 3.019 20 0 BGADMN Cc1coc(CNCc2cscc2C)c1 ZINC000718120459 712745340 /nfs/dbraw/zinc/74/53/40/712745340.db2.gz RNFCCBHZXPQTDG-UHFFFAOYSA-N 0 1 221.325 3.248 20 0 BGADMN Cc1coc(CNCc2ccccc2C)c1 ZINC000718134081 712747513 /nfs/dbraw/zinc/74/75/13/712747513.db2.gz WFPIKSNBOCEEMR-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1coc(CNCc2cccc(C)c2)c1 ZINC000718136215 712747521 /nfs/dbraw/zinc/74/75/21/712747521.db2.gz RWENTWPQHHQQJY-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN Cc1coc(CN[C@H](C)c2ccccc2)c1 ZINC000718136218 712747458 /nfs/dbraw/zinc/74/74/58/712747458.db2.gz RYLPFJGWIFOUAW-GFCCVEGCSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1coc(CN[C@@H](C)c2ccccc2)c1 ZINC000718136220 712747480 /nfs/dbraw/zinc/74/74/80/712747480.db2.gz RYLPFJGWIFOUAW-LBPRGKRZSA-N 0 1 215.296 3.439 20 0 BGADMN Cc1coc(CNCc2ccc(C)cc2)c1 ZINC000718136297 712747744 /nfs/dbraw/zinc/74/77/44/712747744.db2.gz UMPTVZHGBPIJQM-UHFFFAOYSA-N 0 1 215.296 3.186 20 0 BGADMN CO[C@@H]1CCC[C@@H](N[C@@H]2CCCC2(F)F)CC1 ZINC000718736664 712779294 /nfs/dbraw/zinc/77/92/94/712779294.db2.gz RQQXSHPORGABRT-IJLUTSLNSA-N 0 1 247.329 3.112 20 0 BGADMN CO[C@@H]1CCC[C@H](N[C@@H]2CCCC2(F)F)CC1 ZINC000718736666 712779362 /nfs/dbraw/zinc/77/93/62/712779362.db2.gz RQQXSHPORGABRT-QJPTWQEYSA-N 0 1 247.329 3.112 20 0 BGADMN CO[C@@H]1CCC[C@H](N[C@H]2CCCC2(F)F)CC1 ZINC000718736668 712779371 /nfs/dbraw/zinc/77/93/71/712779371.db2.gz RQQXSHPORGABRT-TUAOUCFPSA-N 0 1 247.329 3.112 20 0 BGADMN CO[C@@H]1CCC[C@@H](N[C@H]2CCCC2(F)F)CC1 ZINC000718736670 712779422 /nfs/dbraw/zinc/77/94/22/712779422.db2.gz RQQXSHPORGABRT-UTUOFQBUSA-N 0 1 247.329 3.112 20 0 BGADMN COc1ccc(CNC/C=C\Cl)cc1Cl ZINC000718919396 712787778 /nfs/dbraw/zinc/78/77/78/712787778.db2.gz SYNPOGBLQBSOMH-DJWKRKHSSA-N 0 1 246.137 3.191 20 0 BGADMN COc1ccc(CNC/C=C/Cl)cc1Cl ZINC000718919398 712787988 /nfs/dbraw/zinc/78/79/88/712787988.db2.gz SYNPOGBLQBSOMH-GORDUTHDSA-N 0 1 246.137 3.191 20 0 BGADMN CC[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(C)=O ZINC000720136710 712827543 /nfs/dbraw/zinc/82/75/43/712827543.db2.gz LJGACWMHDDOIEO-GFCCVEGCSA-N 0 1 248.351 3.331 20 0 BGADMN CC[C@H](Sc1nc2ccc(C)cc2[nH]1)C(C)=O ZINC000720136713 712827828 /nfs/dbraw/zinc/82/78/28/712827828.db2.gz LJGACWMHDDOIEO-LBPRGKRZSA-N 0 1 248.351 3.331 20 0 BGADMN CCCCCC(C)(C)CNCc1ccon1 ZINC000720400808 712839513 /nfs/dbraw/zinc/83/95/13/712839513.db2.gz SHICJHXCFVNREI-UHFFFAOYSA-N 0 1 224.348 3.371 20 0 BGADMN Cc1cc(CN[C@@H](C)c2ccsc2)c(C)nn1 ZINC000720563232 712851597 /nfs/dbraw/zinc/85/15/97/712851597.db2.gz ZGFAZBMCKKURMG-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1cc(CN[C@H](C)c2ccsc2)c(C)nn1 ZINC000720563234 712851700 /nfs/dbraw/zinc/85/17/00/712851700.db2.gz ZGFAZBMCKKURMG-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN CC1(NCc2ccc(F)cc2F)CC(F)(F)C1 ZINC000720921829 712879144 /nfs/dbraw/zinc/87/91/44/712879144.db2.gz FPFWBHNSWDCAQB-UHFFFAOYSA-N 0 1 247.235 3.242 20 0 BGADMN Cc1cccc(CNC2(C)CC(F)(F)C2)c1F ZINC000720922874 712878890 /nfs/dbraw/zinc/87/88/90/712878890.db2.gz KBCOQBCRDUCRAU-UHFFFAOYSA-N 0 1 243.272 3.412 20 0 BGADMN CC1(NCc2cccc(F)c2F)CC(F)(F)C1 ZINC000720923304 712879048 /nfs/dbraw/zinc/87/90/48/712879048.db2.gz OTRSXDJULBQCSC-UHFFFAOYSA-N 0 1 247.235 3.242 20 0 BGADMN CC1(NCc2cc(F)ccc2F)CC(F)(F)C1 ZINC000720924361 712878798 /nfs/dbraw/zinc/87/87/98/712878798.db2.gz YRWBAQZZTYSXAY-UHFFFAOYSA-N 0 1 247.235 3.242 20 0 BGADMN CC1(NCc2ccc(Cl)cn2)CC(F)(F)C1 ZINC000720933947 712879873 /nfs/dbraw/zinc/87/98/73/712879873.db2.gz AZXSLNVMVPIGSA-UHFFFAOYSA-N 0 1 246.688 3.012 20 0 BGADMN Cc1ccc(CNC2(C)CC(F)(F)C2)c(F)c1 ZINC000720935348 712879900 /nfs/dbraw/zinc/87/99/00/712879900.db2.gz NYUHPIQMPLYGBC-UHFFFAOYSA-N 0 1 243.272 3.412 20 0 BGADMN CC1(NCc2ccc(Cl)o2)CC(F)(F)C1 ZINC000720937487 712880786 /nfs/dbraw/zinc/88/07/86/712880786.db2.gz PBHFDZJJWUTCEK-UHFFFAOYSA-N 0 1 235.661 3.210 20 0 BGADMN Cc1nc(CNC2(C)CC(F)(F)C2)sc1C ZINC000720948566 712881458 /nfs/dbraw/zinc/88/14/58/712881458.db2.gz CJWJEHXFDAVLST-UHFFFAOYSA-N 0 1 246.326 3.037 20 0 BGADMN CC1(NCc2ccccc2F)CC(F)(F)C1 ZINC000720949026 712881937 /nfs/dbraw/zinc/88/19/37/712881937.db2.gz HWPQOSRQEALFRJ-UHFFFAOYSA-N 0 1 229.245 3.103 20 0 BGADMN CCc1ccc(CNC2(C)CC(F)(F)C2)o1 ZINC000720950276 712881825 /nfs/dbraw/zinc/88/18/25/712881825.db2.gz 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BGADMN CC(C)c1cnc(CN2CCCC2(C)C)o1 ZINC000733309347 584946931 /nfs/dbraw/zinc/94/69/31/584946931.db2.gz KZSYDJKGMLHGKE-UHFFFAOYSA-N 0 1 222.332 3.172 20 0 BGADMN CCN(Cc1ncc(C(C)C)o1)C(C)C ZINC000733309391 584946805 /nfs/dbraw/zinc/94/68/05/584946805.db2.gz MRPQCBUKZKJAJJ-UHFFFAOYSA-N 0 1 210.321 3.028 20 0 BGADMN CC(C)c1cnc(CN2CCC[C@@H]2C2CC2)o1 ZINC000733309770 584946712 /nfs/dbraw/zinc/94/67/12/584946712.db2.gz YQUKXRHLJVMVAQ-GFCCVEGCSA-N 0 1 234.343 3.172 20 0 BGADMN CC(C)c1cnc(CN2CCC[C@H]2C2CC2)o1 ZINC000733309771 584946732 /nfs/dbraw/zinc/94/67/32/584946732.db2.gz YQUKXRHLJVMVAQ-LBPRGKRZSA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@@H](C)CN(C)Cc1ncc(C(C)C)o1 ZINC000733309914 584946646 /nfs/dbraw/zinc/94/66/46/584946646.db2.gz APXOCPZSIQVYPQ-LLVKDONJSA-N 0 1 224.348 3.276 20 0 BGADMN CC[C@H](C)CN(C)Cc1ncc(C(C)C)o1 ZINC000733309915 584946892 /nfs/dbraw/zinc/94/68/92/584946892.db2.gz APXOCPZSIQVYPQ-NSHDSACASA-N 0 1 224.348 3.276 20 0 BGADMN CCN(Cc1ncc(C(C)C)o1)CC1CC1 ZINC000733310476 584946883 /nfs/dbraw/zinc/94/68/83/584946883.db2.gz SCWAAQNWTBZRSH-UHFFFAOYSA-N 0 1 222.332 3.030 20 0 BGADMN CCCN(Cc1ncc(C(C)C)o1)CC1CC1 ZINC000733611370 584951343 /nfs/dbraw/zinc/95/13/43/584951343.db2.gz VKOGTIKBMBJNBG-UHFFFAOYSA-N 0 1 236.359 3.420 20 0 BGADMN CCC(C)(C)N(C)Cc1ncc(C(C)C)o1 ZINC000733996994 584956057 /nfs/dbraw/zinc/95/60/57/584956057.db2.gz OKEDVIKDPWFLFG-UHFFFAOYSA-N 0 1 224.348 3.418 20 0 BGADMN Cc1cccnc1[C@@H](NCc1ccoc1)C(C)C ZINC000734509955 643501360 /nfs/dbraw/zinc/50/13/60/643501360.db2.gz UGFQWGQNYKIMLJ-AWEZNQCLSA-N 0 1 244.338 3.470 20 0 BGADMN Cc1cccnc1[C@H](NCc1ccoc1)C(C)C ZINC000734509957 643501890 /nfs/dbraw/zinc/50/18/90/643501890.db2.gz UGFQWGQNYKIMLJ-CQSZACIVSA-N 0 1 244.338 3.470 20 0 BGADMN CCCCCN(CN1CCSC1=O)C(C)C ZINC000734829008 584969267 /nfs/dbraw/zinc/96/92/67/584969267.db2.gz CWVMZHPRIWUOEA-UHFFFAOYSA-N 0 1 244.404 3.013 20 0 BGADMN CCCCCN(Cn1cc(Cl)cn1)C(C)C ZINC000734829346 584969121 /nfs/dbraw/zinc/96/91/21/584969121.db2.gz KEJSGBXVBBVWMM-UHFFFAOYSA-N 0 1 243.782 3.395 20 0 BGADMN CC[C@H](C(=O)Oc1ccccc1C)N(CC)CC ZINC000735989749 584986017 /nfs/dbraw/zinc/98/60/17/584986017.db2.gz PICPRJQZIAOOKS-CYBMUJFWSA-N 0 1 249.354 3.021 20 0 BGADMN CC[C@@H](C(=O)Oc1ccccc1C)N(CC)CC ZINC000735989751 584986238 /nfs/dbraw/zinc/98/62/38/584986238.db2.gz PICPRJQZIAOOKS-ZDUSSCGKSA-N 0 1 249.354 3.021 20 0 BGADMN CC[C@@H](C(=O)Oc1cccc(C)c1)N(CC)CC ZINC000735990412 584985992 /nfs/dbraw/zinc/98/59/92/584985992.db2.gz XXKUBLFRNRZPOL-AWEZNQCLSA-N 0 1 249.354 3.021 20 0 BGADMN CC[C@H](C(=O)Oc1cccc(C)c1)N(CC)CC ZINC000735990414 584986076 /nfs/dbraw/zinc/98/60/76/584986076.db2.gz XXKUBLFRNRZPOL-CQSZACIVSA-N 0 1 249.354 3.021 20 0 BGADMN CC[C@@H](C(=O)Oc1ccc(C)cc1)N(CC)CC ZINC000735990495 584986092 /nfs/dbraw/zinc/98/60/92/584986092.db2.gz ZGTSDCUFFCOPBA-AWEZNQCLSA-N 0 1 249.354 3.021 20 0 BGADMN CC[C@H](C(=O)Oc1ccc(C)cc1)N(CC)CC ZINC000735990496 584986258 /nfs/dbraw/zinc/98/62/58/584986258.db2.gz ZGTSDCUFFCOPBA-CQSZACIVSA-N 0 1 249.354 3.021 20 0 BGADMN CC(C)[C@H](NCc1ccoc1)c1ccccn1 ZINC000736647037 585008386 /nfs/dbraw/zinc/00/83/86/585008386.db2.gz BQOCPIPOMHIKPL-AWEZNQCLSA-N 0 1 230.311 3.162 20 0 BGADMN CC(C)[C@@H](NCc1ccoc1)c1ccccn1 ZINC000736647038 585008492 /nfs/dbraw/zinc/00/84/92/585008492.db2.gz BQOCPIPOMHIKPL-CQSZACIVSA-N 0 1 230.311 3.162 20 0 BGADMN CC(C)(NCc1ccoc1)c1cccc(F)c1 ZINC000736648430 585008405 /nfs/dbraw/zinc/00/84/05/585008405.db2.gz ZLSNVMKTPAKFSL-UHFFFAOYSA-N 0 1 233.286 3.444 20 0 BGADMN C[C@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000736724809 585010633 /nfs/dbraw/zinc/01/06/33/585010633.db2.gz PTLNNNMWGKJZGT-GFCCVEGCSA-N 0 1 247.338 3.077 20 0 BGADMN C[C@@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000736724812 585010730 /nfs/dbraw/zinc/01/07/30/585010730.db2.gz PTLNNNMWGKJZGT-LBPRGKRZSA-N 0 1 247.338 3.077 20 0 BGADMN CCCC[N@@H+](CCCC(=O)[O-])C1CCCCC1 ZINC000736994601 600227253 /nfs/dbraw/zinc/22/72/53/600227253.db2.gz ZRJXYKLHHJHKPC-UHFFFAOYSA-N 0 1 241.375 3.286 20 0 BGADMN CCN(Cc1ncc(C(C)C)o1)C1CCC1 ZINC000738313396 585042546 /nfs/dbraw/zinc/04/25/46/585042546.db2.gz IIEBBTXZYUNHLR-UHFFFAOYSA-N 0 1 222.332 3.172 20 0 BGADMN Cc1noc([C@@H](C)N2CCC3(CCCC3)CC2)n1 ZINC000738342926 585043673 /nfs/dbraw/zinc/04/36/73/585043673.db2.gz HNMOLYIIJRRPCI-LLVKDONJSA-N 0 1 249.358 3.095 20 0 BGADMN Cc1noc([C@H](C)N2CCC3(CCCC3)CC2)n1 ZINC000738342929 585043658 /nfs/dbraw/zinc/04/36/58/585043658.db2.gz HNMOLYIIJRRPCI-NSHDSACASA-N 0 1 249.358 3.095 20 0 BGADMN CCC(N)=NOCc1ccc2ccccc2c1 ZINC000739900136 585084871 /nfs/dbraw/zinc/08/48/71/585084871.db2.gz ZEFWXCRRHCGEAF-UHFFFAOYSA-N 0 1 228.295 3.248 20 0 BGADMN Cc1cccc2c1CCN(CCC(F)(F)F)C2 ZINC000740876737 644561793 /nfs/dbraw/zinc/56/17/93/644561793.db2.gz CNGQRXSINOLHSA-UHFFFAOYSA-N 0 1 243.272 3.306 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)C[C@H]2C)o1 ZINC000740882104 583978593 /nfs/dbraw/zinc/97/85/93/583978593.db2.gz GNRNJMXBFHASFM-GHMZBOCLSA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000740882105 583978576 /nfs/dbraw/zinc/97/85/76/583978576.db2.gz GNRNJMXBFHASFM-MNOVXSKESA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)c1cnc(CN2C[C@@H](C)C[C@@H]2C)o1 ZINC000740882106 583978891 /nfs/dbraw/zinc/97/88/91/583978891.db2.gz GNRNJMXBFHASFM-QWRGUYRKSA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)c1cnc(CN2C[C@@H](C)C[C@H]2C)o1 ZINC000740882107 583978771 /nfs/dbraw/zinc/97/87/71/583978771.db2.gz GNRNJMXBFHASFM-WDEREUQCSA-N 0 1 222.332 3.028 20 0 BGADMN CC[C@H](C(=O)OCCC(C)(C)C)N(CC)CC ZINC000741032411 584904125 /nfs/dbraw/zinc/90/41/25/584904125.db2.gz FKYBILZHEMYBAR-GFCCVEGCSA-N 0 1 243.391 3.086 20 0 BGADMN CC[C@@H](C(=O)OCCC(C)(C)C)N(CC)CC ZINC000741032415 584904294 /nfs/dbraw/zinc/90/42/94/584904294.db2.gz FKYBILZHEMYBAR-LBPRGKRZSA-N 0 1 243.391 3.086 20 0 BGADMN CCCCOC(=O)[C@@H](C)N(C)[C@@H](C)C(C)(C)C ZINC000741778882 585118302 /nfs/dbraw/zinc/11/83/02/585118302.db2.gz IFVJHXADDUPLJL-NEPJUHHUSA-N 0 1 243.391 3.085 20 0 BGADMN CCCCOC(=O)[C@H](C)N(C)[C@H](C)C(C)(C)C ZINC000741778889 585117970 /nfs/dbraw/zinc/11/79/70/585117970.db2.gz IFVJHXADDUPLJL-NWDGAFQWSA-N 0 1 243.391 3.085 20 0 BGADMN CCCCOC(=O)[C@H](C)N(C)[C@@H](C)C(C)(C)C ZINC000741778895 585118327 /nfs/dbraw/zinc/11/83/27/585118327.db2.gz IFVJHXADDUPLJL-RYUDHWBXSA-N 0 1 243.391 3.085 20 0 BGADMN CCCCOC(=O)[C@@H](C)N(C)[C@H](C)C(C)(C)C ZINC000741778899 585118297 /nfs/dbraw/zinc/11/82/97/585118297.db2.gz IFVJHXADDUPLJL-VXGBXAGGSA-N 0 1 243.391 3.085 20 0 BGADMN CC(C)c1cnc(CN2CCC[C@@H](C)[C@@H]2C)o1 ZINC000741790922 585118865 /nfs/dbraw/zinc/11/88/65/585118865.db2.gz OBZGFGOLEZRJQQ-NEPJUHHUSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2CCC[C@H](C)[C@H]2C)o1 ZINC000741790924 585119003 /nfs/dbraw/zinc/11/90/03/585119003.db2.gz OBZGFGOLEZRJQQ-NWDGAFQWSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2CCC[C@H](C)[C@@H]2C)o1 ZINC000741790925 585119136 /nfs/dbraw/zinc/11/91/36/585119136.db2.gz OBZGFGOLEZRJQQ-RYUDHWBXSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2CCC[C@@H](C)[C@H]2C)o1 ZINC000741790927 585118891 /nfs/dbraw/zinc/11/88/91/585118891.db2.gz OBZGFGOLEZRJQQ-VXGBXAGGSA-N 0 1 236.359 3.418 20 0 BGADMN CN(Cn1ccc(-c2cccs2)n1)C1CCC1 ZINC000742169675 585122452 /nfs/dbraw/zinc/12/24/52/585122452.db2.gz JESGPIQTURBGRP-UHFFFAOYSA-N 0 1 247.367 3.053 20 0 BGADMN CN(Cn1ccc(-c2ccsc2)n1)C1CCC1 ZINC000742169895 585122373 /nfs/dbraw/zinc/12/23/73/585122373.db2.gz LESDTUGZIOJIFZ-UHFFFAOYSA-N 0 1 247.367 3.053 20 0 BGADMN CCC(N)=NOCc1cc(Cl)ccc1Cl ZINC000742353669 644565003 /nfs/dbraw/zinc/56/50/03/644565003.db2.gz DFGMWTWRDYYDRN-UHFFFAOYSA-N 0 1 247.125 3.402 20 0 BGADMN Cc1cccc(F)c1CNCc1ccccc1 ZINC000742380124 585125394 /nfs/dbraw/zinc/12/53/94/585125394.db2.gz IBRRGDPGQGKITC-UHFFFAOYSA-N 0 1 229.298 3.424 20 0 BGADMN Cc1cccc(F)c1CNCc1cccnc1C ZINC000742380548 585125418 /nfs/dbraw/zinc/12/54/18/585125418.db2.gz GNKNAISICWXSQP-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cccc(F)c1CNCc1cccc(O)c1 ZINC000742381399 585125361 /nfs/dbraw/zinc/12/53/61/585125361.db2.gz SJBDLNTVSGEHDN-UHFFFAOYSA-N 0 1 245.297 3.130 20 0 BGADMN CCC(N)=NOCc1ccc(Cl)cc1Cl ZINC000742580391 585128340 /nfs/dbraw/zinc/12/83/40/585128340.db2.gz DQRIGNBJQWZHDI-UHFFFAOYSA-N 0 1 247.125 3.402 20 0 BGADMN CCC(N)=NOCc1ccc(Cl)c(Cl)c1 ZINC000742580435 585128324 /nfs/dbraw/zinc/12/83/24/585128324.db2.gz JQAVRTBFJRUCBP-UHFFFAOYSA-N 0 1 247.125 3.402 20 0 BGADMN CCC(N)=NOCc1c(C)cc(C)cc1C ZINC000742580692 585128322 /nfs/dbraw/zinc/12/83/22/585128322.db2.gz RXMCFFLUXVJZOX-UHFFFAOYSA-N 0 1 220.316 3.020 20 0 BGADMN CCCc1ccc(CON=C(N)CC)cc1 ZINC000742580703 585128184 /nfs/dbraw/zinc/12/81/84/585128184.db2.gz SWDZZGDVJYEZBP-UHFFFAOYSA-N 0 1 220.316 3.048 20 0 BGADMN CCCCN(CCCC)Cn1cc[nH]c1=S ZINC000743347371 585135606 /nfs/dbraw/zinc/13/56/06/585135606.db2.gz BSJROMZWKZDDLR-UHFFFAOYSA-N 0 1 241.404 3.032 20 0 BGADMN CCCCCN(Cn1cc[nH]c1=S)C(C)C ZINC000743352458 585135484 /nfs/dbraw/zinc/13/54/84/585135484.db2.gz NDQIBHHWWSPAGZ-UHFFFAOYSA-N 0 1 241.404 3.030 20 0 BGADMN Clc1ccc2nc(NCc3ccco3)[nH]c2c1 ZINC000743413368 585136470 /nfs/dbraw/zinc/13/64/70/585136470.db2.gz FQIDKUYQPSCUAO-UHFFFAOYSA-N 0 1 247.685 3.421 20 0 BGADMN Cc1cccc(F)c1CN[C@H](C)c1cccnc1 ZINC000743483772 585137559 /nfs/dbraw/zinc/13/75/59/585137559.db2.gz FLGNFNLRTLHOKV-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(F)c1CN[C@@H](C)c1cccnc1 ZINC000743483773 585137495 /nfs/dbraw/zinc/13/74/95/585137495.db2.gz FLGNFNLRTLHOKV-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(F)c1CN[C@H](C)c1ccncc1 ZINC000743483832 585137570 /nfs/dbraw/zinc/13/75/70/585137570.db2.gz HMURCERBCLPUGW-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc(F)c1CN[C@@H](C)c1ccncc1 ZINC000743483834 585137397 /nfs/dbraw/zinc/13/73/97/585137397.db2.gz HMURCERBCLPUGW-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cl/C=C/C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000743852129 585140903 /nfs/dbraw/zinc/14/09/03/585140903.db2.gz MUJFYGFJUIRKKC-FLUIGGAXSA-N 0 1 243.778 3.163 20 0 BGADMN Cl/C=C/C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000743852133 585140873 /nfs/dbraw/zinc/14/08/73/585140873.db2.gz MUJFYGFJUIRKKC-GBVBUYCNSA-N 0 1 243.778 3.163 20 0 BGADMN Cl/C=C\C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000743852136 585140777 /nfs/dbraw/zinc/14/07/77/585140777.db2.gz MUJFYGFJUIRKKC-IBSXUBTNSA-N 0 1 243.778 3.163 20 0 BGADMN Cl/C=C\C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000743852138 585140912 /nfs/dbraw/zinc/14/09/12/585140912.db2.gz MUJFYGFJUIRKKC-UKOWJOKBSA-N 0 1 243.778 3.163 20 0 BGADMN CCc1cnc(CN2CCC3(CCCC3)C2)o1 ZINC000743864134 585141225 /nfs/dbraw/zinc/14/12/25/585141225.db2.gz XCDKNJXEUJSZSZ-UHFFFAOYSA-N 0 1 234.343 3.003 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)CC[C@@H]2C)o1 ZINC000743873207 582861220 /nfs/dbraw/zinc/86/12/20/582861220.db2.gz OAKKXHPJNNSBPR-NEPJUHHUSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2C[C@@H](C)CC[C@H]2C)o1 ZINC000743873208 582861030 /nfs/dbraw/zinc/86/10/30/582861030.db2.gz OAKKXHPJNNSBPR-NWDGAFQWSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2C[C@@H](C)CC[C@@H]2C)o1 ZINC000743873209 582860993 /nfs/dbraw/zinc/86/09/93/582860993.db2.gz OAKKXHPJNNSBPR-RYUDHWBXSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)CC[C@H]2C)o1 ZINC000743873395 582861723 /nfs/dbraw/zinc/86/17/23/582861723.db2.gz OAKKXHPJNNSBPR-VXGBXAGGSA-N 0 1 236.359 3.418 20 0 BGADMN CCC/C(C)=C/C(=O)Nc1ccc2nc[nH]c2c1 ZINC000743936582 585141984 /nfs/dbraw/zinc/14/19/84/585141984.db2.gz CRSLXTSUSBLGJK-JXMROGBWSA-N 0 1 243.310 3.248 20 0 BGADMN CCC/C(C)=C\C(=O)Nc1ccc2nc[nH]c2c1 ZINC000743936584 585142074 /nfs/dbraw/zinc/14/20/74/585142074.db2.gz CRSLXTSUSBLGJK-YFHOEESVSA-N 0 1 243.310 3.248 20 0 BGADMN CCCCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000743940724 585141955 /nfs/dbraw/zinc/14/19/55/585141955.db2.gz LVZRMBQLGLSQKD-UHFFFAOYSA-N 0 1 245.326 3.472 20 0 BGADMN CC(C)CN(C)Cn1ccn(C(C)C)c1=S ZINC000744151990 585144695 /nfs/dbraw/zinc/14/46/95/585144695.db2.gz QIAYLCNRXUOFGT-UHFFFAOYSA-N 0 1 241.404 3.145 20 0 BGADMN CC(C)(C)CCOC(=O)c1cccc2[nH]ncc21 ZINC000744325853 585148343 /nfs/dbraw/zinc/14/83/43/585148343.db2.gz PFBSBTZCUIUXPU-UHFFFAOYSA-N 0 1 246.310 3.156 20 0 BGADMN C[N@@H+](Cc1ccccc1N1CCCCC1)C1CC1 ZINC000745456289 585159321 /nfs/dbraw/zinc/15/93/21/585159321.db2.gz WJZHCOABOGGOPT-UHFFFAOYSA-N 0 1 244.382 3.271 20 0 BGADMN CC[C@H]1C[C@@H](C)CN1Cc1ncc(C(C)C)o1 ZINC000745948195 585161508 /nfs/dbraw/zinc/16/15/08/585161508.db2.gz GJCLAMJVTPNFAI-NEPJUHHUSA-N 0 1 236.359 3.418 20 0 BGADMN CC[C@@H]1C[C@H](C)CN1Cc1ncc(C(C)C)o1 ZINC000745948197 585161555 /nfs/dbraw/zinc/16/15/55/585161555.db2.gz GJCLAMJVTPNFAI-NWDGAFQWSA-N 0 1 236.359 3.418 20 0 BGADMN CC[C@H]1C[C@H](C)CN1Cc1ncc(C(C)C)o1 ZINC000745948405 585161718 /nfs/dbraw/zinc/16/17/18/585161718.db2.gz GJCLAMJVTPNFAI-RYUDHWBXSA-N 0 1 236.359 3.418 20 0 BGADMN CC[C@@H]1C[C@@H](C)CN1Cc1ncc(C(C)C)o1 ZINC000745948406 585161606 /nfs/dbraw/zinc/16/16/06/585161606.db2.gz GJCLAMJVTPNFAI-VXGBXAGGSA-N 0 1 236.359 3.418 20 0 BGADMN FCCN1CCC(c2c[nH]c3ccccc23)CC1 ZINC000746500392 585168669 /nfs/dbraw/zinc/16/86/69/585168669.db2.gz TYZAUCGZKUNYNY-UHFFFAOYSA-N 0 1 246.329 3.317 20 0 BGADMN CCOc1ccc([C@@H]2CCCN2CCF)cc1 ZINC000746500478 585169245 /nfs/dbraw/zinc/16/92/45/585169245.db2.gz WFXLFLSJZJJEGL-AWEZNQCLSA-N 0 1 237.318 3.192 20 0 BGADMN CCOc1ccc([C@H]2CCCN2CCF)cc1 ZINC000746500480 585169078 /nfs/dbraw/zinc/16/90/78/585169078.db2.gz WFXLFLSJZJJEGL-CQSZACIVSA-N 0 1 237.318 3.192 20 0 BGADMN C[C@@H](c1cc2ccccc2o1)N(C)CCF ZINC000746500754 585169105 /nfs/dbraw/zinc/16/91/05/585169105.db2.gz ZUISSCBKWDZBDL-JTQLQIEISA-N 0 1 221.275 3.395 20 0 BGADMN C[C@H](c1cc2ccccc2o1)N(C)CCF ZINC000746500757 585169499 /nfs/dbraw/zinc/16/94/99/585169499.db2.gz ZUISSCBKWDZBDL-SNVBAGLBSA-N 0 1 221.275 3.395 20 0 BGADMN C[C@H](c1cccc(Cl)c1)N(C)CCF ZINC000746501545 585169389 /nfs/dbraw/zinc/16/93/89/585169389.db2.gz DBIDQMFKDZZIJL-SECBINFHSA-N 0 1 215.699 3.302 20 0 BGADMN C[C@@H](c1cccc(Cl)c1)N(C)CCF ZINC000746501551 585169109 /nfs/dbraw/zinc/16/91/09/585169109.db2.gz DBIDQMFKDZZIJL-VIFPVBQESA-N 0 1 215.699 3.302 20 0 BGADMN CCN(CCF)[C@H](C)c1cccc(OC)c1 ZINC000746501581 585169262 /nfs/dbraw/zinc/16/92/62/585169262.db2.gz DQDTXUXGWIJQHZ-LLVKDONJSA-N 0 1 225.307 3.048 20 0 BGADMN CCN(CCF)[C@@H](C)c1cccc(OC)c1 ZINC000746501582 585169063 /nfs/dbraw/zinc/16/90/63/585169063.db2.gz DQDTXUXGWIJQHZ-NSHDSACASA-N 0 1 225.307 3.048 20 0 BGADMN FCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000746502225 585169183 /nfs/dbraw/zinc/16/91/83/585169183.db2.gz FHRRDNZCGBPEKY-GFCCVEGCSA-N 0 1 241.737 3.316 20 0 BGADMN FCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000746502251 585168294 /nfs/dbraw/zinc/16/82/94/585168294.db2.gz FHRRDNZCGBPEKY-LBPRGKRZSA-N 0 1 241.737 3.316 20 0 BGADMN Cc1ccc(CN(CCF)C(C)C)s1 ZINC000746502547 585169127 /nfs/dbraw/zinc/16/91/27/585169127.db2.gz FYXRMFPPNBJREU-UHFFFAOYSA-N 0 1 215.337 3.236 20 0 BGADMN CCc1ccc(CN(CCF)C2CC2)cc1 ZINC000746502589 585168166 /nfs/dbraw/zinc/16/81/66/585168166.db2.gz KZBVACCBFZSCSU-UHFFFAOYSA-N 0 1 221.319 3.183 20 0 BGADMN FCCN(C1CC1)[C@H]1CCc2ccccc21 ZINC000746503235 585169072 /nfs/dbraw/zinc/16/90/72/585169072.db2.gz KMDOMYPXOAOUNJ-AWEZNQCLSA-N 0 1 219.303 3.108 20 0 BGADMN FCCN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000746503236 585169290 /nfs/dbraw/zinc/16/92/90/585169290.db2.gz KMDOMYPXOAOUNJ-CQSZACIVSA-N 0 1 219.303 3.108 20 0 BGADMN CN(CCF)CCCOc1cccc(Cl)c1 ZINC000746503978 585169028 /nfs/dbraw/zinc/16/90/28/585169028.db2.gz RYFUHYVLDHYRTB-UHFFFAOYSA-N 0 1 245.725 3.010 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1CC1(Cl)Cl ZINC000746651242 585171635 /nfs/dbraw/zinc/17/16/35/585171635.db2.gz IEKYTKMTEMLROI-BDAKNGLRSA-N 0 1 248.153 3.466 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@H]1CC1(Cl)Cl ZINC000746651252 585171456 /nfs/dbraw/zinc/17/14/56/585171456.db2.gz IEKYTKMTEMLROI-DTWKUNHWSA-N 0 1 248.153 3.466 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CC1(Cl)Cl ZINC000746651255 585171648 /nfs/dbraw/zinc/17/16/48/585171648.db2.gz IEKYTKMTEMLROI-IUCAKERBSA-N 0 1 248.153 3.466 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@H]1CC1(Cl)Cl ZINC000746651259 585171579 /nfs/dbraw/zinc/17/15/79/585171579.db2.gz IEKYTKMTEMLROI-RKDXNWHRSA-N 0 1 248.153 3.466 20 0 BGADMN Cl/C=C/CN(CCc1ccccc1)C1CC1 ZINC000746653477 585171431 /nfs/dbraw/zinc/17/14/31/585171431.db2.gz VIGQMJZZFAMANY-ONNFQVAWSA-N 0 1 235.758 3.446 20 0 BGADMN Cl/C=C\CN(CCc1ccccc1)C1CC1 ZINC000746653483 585171468 /nfs/dbraw/zinc/17/14/68/585171468.db2.gz VIGQMJZZFAMANY-WMZJFQQLSA-N 0 1 235.758 3.446 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)CC2(C)C)o1 ZINC000746678306 585171777 /nfs/dbraw/zinc/17/17/77/585171777.db2.gz PERTVABBXILLCQ-LLVKDONJSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN2C[C@@H](C)CC2(C)C)o1 ZINC000746678308 585171914 /nfs/dbraw/zinc/17/19/14/585171914.db2.gz PERTVABBXILLCQ-NSHDSACASA-N 0 1 236.359 3.418 20 0 BGADMN CCCCCOC(=O)c1c(F)cc(O)cc1F ZINC000746985424 585173973 /nfs/dbraw/zinc/17/39/73/585173973.db2.gz JLAAYYPGOKBLTL-UHFFFAOYSA-N 0 1 244.237 3.017 20 0 BGADMN Cc1cccc([C@@H](C)NCc2cccc(F)n2)c1 ZINC000747743460 583378691 /nfs/dbraw/zinc/37/86/91/583378691.db2.gz FJTLFYDQGKAWPC-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cccc([C@H](C)NCc2cccc(F)n2)c1 ZINC000747743462 583377985 /nfs/dbraw/zinc/37/79/85/583377985.db2.gz FJTLFYDQGKAWPC-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN C[C@H](NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000747743837 585183200 /nfs/dbraw/zinc/18/32/00/585183200.db2.gz HTAUYDYESVOLRZ-JTQLQIEISA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1cccc(F)n1)c1ccc(F)cc1 ZINC000747743838 585183167 /nfs/dbraw/zinc/18/31/67/585183167.db2.gz HTAUYDYESVOLRZ-SNVBAGLBSA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1cccc(F)n1)c1ccccc1 ZINC000747744436 585183177 /nfs/dbraw/zinc/18/31/77/585183177.db2.gz NPHIGSJTJYIWSI-LLVKDONJSA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1cccc(F)n1)c1ccccc1 ZINC000747744439 585183097 /nfs/dbraw/zinc/18/30/97/585183097.db2.gz NPHIGSJTJYIWSI-NSHDSACASA-N 0 1 230.286 3.072 20 0 BGADMN C[C@H](NCc1cccc(F)n1)c1cccc(F)c1 ZINC000747744673 585183165 /nfs/dbraw/zinc/18/31/65/585183165.db2.gz QCXBOYCYVIDIPO-JTQLQIEISA-N 0 1 248.276 3.211 20 0 BGADMN C[C@@H](NCc1cccc(F)n1)c1cccc(F)c1 ZINC000747744674 585183194 /nfs/dbraw/zinc/18/31/94/585183194.db2.gz QCXBOYCYVIDIPO-SNVBAGLBSA-N 0 1 248.276 3.211 20 0 BGADMN CC[C@H](NCc1cccc(F)n1)c1ccccc1 ZINC000747745169 585183499 /nfs/dbraw/zinc/18/34/99/585183499.db2.gz WQFDXBJRFMMRLL-AWEZNQCLSA-N 0 1 244.313 3.462 20 0 BGADMN CC[C@@H](NCc1cccc(F)n1)c1ccccc1 ZINC000747745170 585183456 /nfs/dbraw/zinc/18/34/56/585183456.db2.gz WQFDXBJRFMMRLL-CQSZACIVSA-N 0 1 244.313 3.462 20 0 BGADMN Cc1ccccc1[C@@H](C)NCc1cccc(F)n1 ZINC000747745253 585183408 /nfs/dbraw/zinc/18/34/08/585183408.db2.gz ZTBRDXMGFBJXHD-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccccc1[C@H](C)NCc1cccc(F)n1 ZINC000747745254 583379567 /nfs/dbraw/zinc/37/95/67/583379567.db2.gz ZTBRDXMGFBJXHD-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Fc1cccc(CNC/C=C/c2ccccc2)n1 ZINC000747934478 585185854 /nfs/dbraw/zinc/18/58/54/585185854.db2.gz CYVUDBMLLWRFCY-VMPITWQZSA-N 0 1 242.297 3.024 20 0 BGADMN Fc1cccc(CNC/C=C\c2ccccc2)n1 ZINC000747934479 585185772 /nfs/dbraw/zinc/18/57/72/585185772.db2.gz CYVUDBMLLWRFCY-YVMONPNESA-N 0 1 242.297 3.024 20 0 BGADMN Cc1cccc(CNCc2cccc(F)n2)c1C ZINC000747935241 585186121 /nfs/dbraw/zinc/18/61/21/585186121.db2.gz KFDJHEGGKTXDFQ-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(C)c(CNCc2cccc(F)n2)c1 ZINC000747935262 585186093 /nfs/dbraw/zinc/18/60/93/585186093.db2.gz KXCHGWZOILKFKM-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cc(C)cc(CNCc2cccc(F)n2)c1 ZINC000747935753 585186030 /nfs/dbraw/zinc/18/60/30/585186030.db2.gz LCXKMSQKVJPYID-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1ccc(CNCc2cccc(F)n2)c(C)c1 ZINC000747935840 585186194 /nfs/dbraw/zinc/18/61/94/585186194.db2.gz PVDPLALGWJAHRC-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN CCc1ccc(CNCc2cccc(F)n2)cc1 ZINC000747938881 585186041 /nfs/dbraw/zinc/18/60/41/585186041.db2.gz PRNAFLPAZZWKHK-UHFFFAOYSA-N 0 1 244.313 3.073 20 0 BGADMN CCCCCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000747971306 585186451 /nfs/dbraw/zinc/18/64/51/585186451.db2.gz XTEKVHOWKHBXAP-LBPRGKRZSA-N 0 1 243.391 3.229 20 0 BGADMN CCCC(N)=NOCCc1ccccc1Cl ZINC000748097603 585187049 /nfs/dbraw/zinc/18/70/49/585187049.db2.gz NEFWRTJTFKKXLT-UHFFFAOYSA-N 0 1 240.734 3.181 20 0 BGADMN CCC[C@@H](C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000748112061 585187228 /nfs/dbraw/zinc/18/72/28/585187228.db2.gz WFLGBSNRZDFMBZ-SECBINFHSA-N 0 1 248.282 3.015 20 0 BGADMN CCC[C@H](C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000748112065 585187338 /nfs/dbraw/zinc/18/73/38/585187338.db2.gz WFLGBSNRZDFMBZ-VIFPVBQESA-N 0 1 248.282 3.015 20 0 BGADMN CCC[C@@H](C)OC(=O)c1c(F)cc(O)cc1F ZINC000748127287 585187351 /nfs/dbraw/zinc/18/73/51/585187351.db2.gz QPQMMDXABHVBER-SSDOTTSWSA-N 0 1 244.237 3.016 20 0 BGADMN CCC[C@H](C)OC(=O)c1c(F)cc(O)cc1F ZINC000748127288 585187244 /nfs/dbraw/zinc/18/72/44/585187244.db2.gz QPQMMDXABHVBER-ZETCQYMHSA-N 0 1 244.237 3.016 20 0 BGADMN Cc1noc([C@H](C)NC2CCCCCCC2)n1 ZINC000750825632 585220575 /nfs/dbraw/zinc/22/05/75/585220575.db2.gz OPVXHZGIQQLBSU-JTQLQIEISA-N 0 1 237.347 3.142 20 0 BGADMN Cc1noc([C@@H](C)NC2CCCCCCC2)n1 ZINC000750825635 585220406 /nfs/dbraw/zinc/22/04/06/585220406.db2.gz OPVXHZGIQQLBSU-SNVBAGLBSA-N 0 1 237.347 3.142 20 0 BGADMN C[C@@H]1CCCN1Cn1ccc(-c2cccs2)n1 ZINC000751924406 585239129 /nfs/dbraw/zinc/23/91/29/585239129.db2.gz KRRQVEXAJLUUQV-LLVKDONJSA-N 0 1 247.367 3.053 20 0 BGADMN C[C@H]1CCCN1Cn1ccc(-c2cccs2)n1 ZINC000751924409 585239158 /nfs/dbraw/zinc/23/91/58/585239158.db2.gz KRRQVEXAJLUUQV-NSHDSACASA-N 0 1 247.367 3.053 20 0 BGADMN Fc1cc(F)c(F)c(CNC2CCCC2)c1F ZINC000751991044 585240263 /nfs/dbraw/zinc/24/02/63/585240263.db2.gz LGWIXNKHZSKJDE-UHFFFAOYSA-N 0 1 247.235 3.275 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C)[C@H]2C)o1 ZINC000752093742 585242414 /nfs/dbraw/zinc/24/24/14/585242414.db2.gz OZMLXKQYWXOKHC-GHMZBOCLSA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C)[C@@H]2C)o1 ZINC000752093744 585242370 /nfs/dbraw/zinc/24/23/70/585242370.db2.gz OZMLXKQYWXOKHC-MNOVXSKESA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C)[C@@H]2C)o1 ZINC000752093746 585242473 /nfs/dbraw/zinc/24/24/73/585242473.db2.gz OZMLXKQYWXOKHC-QWRGUYRKSA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C)[C@H]2C)o1 ZINC000752093748 585242400 /nfs/dbraw/zinc/24/24/00/585242400.db2.gz OZMLXKQYWXOKHC-WDEREUQCSA-N 0 1 222.332 3.028 20 0 BGADMN CCCCCC[N@@H+](C)Cc1cccc(C)n1 ZINC000752297110 585244737 /nfs/dbraw/zinc/24/47/37/585244737.db2.gz PHICAGAKEWIIRM-UHFFFAOYSA-N 0 1 220.360 3.402 20 0 BGADMN CC(C)c1cnc(CN(C)[C@H](C)C2(C)CC2)o1 ZINC000752356245 585244862 /nfs/dbraw/zinc/24/48/62/585244862.db2.gz LWIBPUHIKQQAJN-LLVKDONJSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)c1cnc(CN(C)[C@@H](C)C2(C)CC2)o1 ZINC000752356246 585244945 /nfs/dbraw/zinc/24/49/45/585244945.db2.gz LWIBPUHIKQQAJN-NSHDSACASA-N 0 1 236.359 3.418 20 0 BGADMN CCCCC(N)=NOCCCSCC(C)C ZINC000752774367 585250033 /nfs/dbraw/zinc/25/00/33/585250033.db2.gz JNHGCECHGJLUJK-UHFFFAOYSA-N 0 1 246.420 3.454 20 0 BGADMN CCCCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC000753014328 585252180 /nfs/dbraw/zinc/25/21/80/585252180.db2.gz CVIDUWNKPXGQCQ-UHFFFAOYSA-N 0 1 249.358 3.057 20 0 BGADMN Cl/C=C/CN1CC[C@@H]1Cc1ccccc1 ZINC000753134976 585254057 /nfs/dbraw/zinc/25/40/57/585254057.db2.gz JLICKUJATGZNRL-FLUIGGAXSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C/C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000753134976 585254056 /nfs/dbraw/zinc/25/40/56/585254056.db2.gz JLICKUJATGZNRL-FLUIGGAXSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C/CN1CC[C@H]1Cc1ccccc1 ZINC000753134984 585254124 /nfs/dbraw/zinc/25/41/24/585254124.db2.gz JLICKUJATGZNRL-GBVBUYCNSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C/C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000753134984 585254123 /nfs/dbraw/zinc/25/41/23/585254123.db2.gz JLICKUJATGZNRL-GBVBUYCNSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C\CN1CC[C@@H]1Cc1ccccc1 ZINC000753134985 585254008 /nfs/dbraw/zinc/25/40/08/585254008.db2.gz JLICKUJATGZNRL-IBSXUBTNSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C\C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000753134985 585254007 /nfs/dbraw/zinc/25/40/07/585254007.db2.gz JLICKUJATGZNRL-IBSXUBTNSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C\CN1CC[C@H]1Cc1ccccc1 ZINC000753134987 585254162 /nfs/dbraw/zinc/25/41/62/585254162.db2.gz JLICKUJATGZNRL-UKOWJOKBSA-N 0 1 221.731 3.056 20 0 BGADMN Cl/C=C\C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000753134987 585254161 /nfs/dbraw/zinc/25/41/61/585254161.db2.gz JLICKUJATGZNRL-UKOWJOKBSA-N 0 1 221.731 3.056 20 0 BGADMN CCc1cnc(CN2CCCCCCC2)s1 ZINC000753527224 585260593 /nfs/dbraw/zinc/26/05/93/585260593.db2.gz IUOALENZGCSGFR-UHFFFAOYSA-N 0 1 238.400 3.472 20 0 BGADMN C[C@H]1CN(Cc2coc(C3CC3)n2)CC(C)(C)C1 ZINC000753576858 585262329 /nfs/dbraw/zinc/26/23/29/585262329.db2.gz VQACFIPTPXSJMX-LLVKDONJSA-N 0 1 248.370 3.420 20 0 BGADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)CC(C)(C)C1 ZINC000753576859 585262290 /nfs/dbraw/zinc/26/22/90/585262290.db2.gz VQACFIPTPXSJMX-NSHDSACASA-N 0 1 248.370 3.420 20 0 BGADMN CN(Cc1coc(C2CC2)n1)C[C@@H]1CC=CCC1 ZINC000753577413 585262502 /nfs/dbraw/zinc/26/25/02/585262502.db2.gz VOKDNXTYQDDWFO-GFCCVEGCSA-N 0 1 246.354 3.340 20 0 BGADMN CN(Cc1coc(C2CC2)n1)C[C@H]1CC=CCC1 ZINC000753577414 585262612 /nfs/dbraw/zinc/26/26/12/585262612.db2.gz VOKDNXTYQDDWFO-LBPRGKRZSA-N 0 1 246.354 3.340 20 0 BGADMN CC(C)(C)[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000753590345 585262882 /nfs/dbraw/zinc/26/28/82/585262882.db2.gz MDTLFRDIHWDOPY-GFCCVEGCSA-N 0 1 248.370 3.420 20 0 BGADMN CC(C)(C)[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000753590346 585263081 /nfs/dbraw/zinc/26/30/81/585263081.db2.gz MDTLFRDIHWDOPY-LBPRGKRZSA-N 0 1 248.370 3.420 20 0 BGADMN CCC(=O)CCN1CCc2cccc(F)c2[C@H]1C ZINC000753722088 585267277 /nfs/dbraw/zinc/26/72/77/585267277.db2.gz GDMBLQGUSLXSOK-LLVKDONJSA-N 0 1 249.329 3.114 20 0 BGADMN CCC(=O)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000753722090 585267184 /nfs/dbraw/zinc/26/71/84/585267184.db2.gz GDMBLQGUSLXSOK-NSHDSACASA-N 0 1 249.329 3.114 20 0 BGADMN CCC(=O)CCN1CCc2cc(F)ccc2[C@H]1C ZINC000753725396 585267380 /nfs/dbraw/zinc/26/73/80/585267380.db2.gz YLHWSOJXNIZZLJ-LLVKDONJSA-N 0 1 249.329 3.114 20 0 BGADMN CCC(=O)CCN1CCc2cc(F)ccc2[C@@H]1C ZINC000753725397 585267638 /nfs/dbraw/zinc/26/76/38/585267638.db2.gz YLHWSOJXNIZZLJ-NSHDSACASA-N 0 1 249.329 3.114 20 0 BGADMN CCCCN(Cn1ncc(Cl)c1C)C1CC1 ZINC000753788546 585269147 /nfs/dbraw/zinc/26/91/47/585269147.db2.gz DSFQZUSRSHNDSC-UHFFFAOYSA-N 0 1 241.766 3.067 20 0 BGADMN Cc1c(Cl)cnn1CN(C)[C@@H](C)C(C)(C)C ZINC000753791938 585268962 /nfs/dbraw/zinc/26/89/62/585268962.db2.gz YOTVKICWFRHDPE-JTQLQIEISA-N 0 1 243.782 3.169 20 0 BGADMN Cc1c(Cl)cnn1CN(C)[C@H](C)C(C)(C)C ZINC000753791948 585269228 /nfs/dbraw/zinc/26/92/28/585269228.db2.gz YOTVKICWFRHDPE-SNVBAGLBSA-N 0 1 243.782 3.169 20 0 BGADMN Cc1c(Cl)cnn1CN1CCCCC[C@@H]1C ZINC000753795052 585269324 /nfs/dbraw/zinc/26/93/24/585269324.db2.gz WVUOTUXKAMTAEL-JTQLQIEISA-N 0 1 241.766 3.067 20 0 BGADMN Cc1c(Cl)cnn1CN1CCCCC[C@H]1C ZINC000753795055 585269319 /nfs/dbraw/zinc/26/93/19/585269319.db2.gz WVUOTUXKAMTAEL-SNVBAGLBSA-N 0 1 241.766 3.067 20 0 BGADMN Cc1ccc(NC[C@@H]2CC=CCC2)c(N(C)C)n1 ZINC000754062837 585276837 /nfs/dbraw/zinc/27/68/37/585276837.db2.gz AZAJEROCLGDXMV-CYBMUJFWSA-N 0 1 245.370 3.224 20 0 BGADMN Cc1ccc(NC[C@H]2CC=CCC2)c(N(C)C)n1 ZINC000754062839 585276970 /nfs/dbraw/zinc/27/69/70/585276970.db2.gz AZAJEROCLGDXMV-ZDUSSCGKSA-N 0 1 245.370 3.224 20 0 BGADMN Cl/C=C\CN1CCC(c2ccccn2)CC1 ZINC000754351720 585282887 /nfs/dbraw/zinc/28/28/87/585282887.db2.gz LLWGCIOPSHRFLU-CLTKARDFSA-N 0 1 236.746 3.014 20 0 BGADMN CC(C)c1cnc(CN[C@H](C)C2CCCC2)o1 ZINC000754788325 585291113 /nfs/dbraw/zinc/29/11/13/585291113.db2.gz KFYCXFXWFHKFOK-LLVKDONJSA-N 0 1 236.359 3.466 20 0 BGADMN CC(C)c1cnc(CN[C@@H](C)C2CCCC2)o1 ZINC000754788326 585291118 /nfs/dbraw/zinc/29/11/18/585291118.db2.gz KFYCXFXWFHKFOK-NSHDSACASA-N 0 1 236.359 3.466 20 0 BGADMN CCC(CC)OC(=O)c1c(F)cc(O)cc1F ZINC000754821646 585291215 /nfs/dbraw/zinc/29/12/15/585291215.db2.gz XVSUVSAYGCGLRA-UHFFFAOYSA-N 0 1 244.237 3.016 20 0 BGADMN CC(C)c1cnc(CN[C@@H]2CCCC2(C)C)o1 ZINC000755070753 585294265 /nfs/dbraw/zinc/29/42/65/585294265.db2.gz KNJKHKSRJNNHPX-GFCCVEGCSA-N 0 1 236.359 3.466 20 0 BGADMN CC(C)c1cnc(CN[C@H]2CCCC2(C)C)o1 ZINC000755070754 585294098 /nfs/dbraw/zinc/29/40/98/585294098.db2.gz KNJKHKSRJNNHPX-LBPRGKRZSA-N 0 1 236.359 3.466 20 0 BGADMN CC(=O)CC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000755178967 585295936 /nfs/dbraw/zinc/29/59/36/585295936.db2.gz DXZPMEYDIVIBCE-ACCUITESSA-N 0 1 231.339 3.001 20 0 BGADMN CC(=O)CC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000755178972 585295754 /nfs/dbraw/zinc/29/57/54/585295754.db2.gz DXZPMEYDIVIBCE-QBFSEMIESA-N 0 1 231.339 3.001 20 0 BGADMN CCC(=O)CC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000755192632 585295984 /nfs/dbraw/zinc/29/59/84/585295984.db2.gz DCLYRAWYVFQRIS-OWBHPGMISA-N 0 1 245.366 3.391 20 0 BGADMN CCC(=O)CC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000755192633 585295775 /nfs/dbraw/zinc/29/57/75/585295775.db2.gz DCLYRAWYVFQRIS-WYMLVPIESA-N 0 1 245.366 3.391 20 0 BGADMN CCC(N)=NOCCCc1ccc(Cl)cc1 ZINC000755943122 585311351 /nfs/dbraw/zinc/31/13/51/585311351.db2.gz DKFSUYDUPLAKAH-UHFFFAOYSA-N 0 1 240.734 3.181 20 0 BGADMN CCCCC(N)=NOCCCc1ccccc1 ZINC000755944354 585311118 /nfs/dbraw/zinc/31/11/18/585311118.db2.gz XSAXLZKHLFGRNE-UHFFFAOYSA-N 0 1 234.343 3.308 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C(C)C)C2)o1 ZINC000755994517 585312114 /nfs/dbraw/zinc/31/21/14/585312114.db2.gz IAYNNCNMYMHLCP-GFCCVEGCSA-N 0 1 236.359 3.276 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C(C)C)C2)o1 ZINC000755994520 585312273 /nfs/dbraw/zinc/31/22/73/585312273.db2.gz IAYNNCNMYMHLCP-LBPRGKRZSA-N 0 1 236.359 3.276 20 0 BGADMN CC[C@@H]1CCN(Cc2ncc(C(C)C)o2)C1 ZINC000756001368 585312597 /nfs/dbraw/zinc/31/25/97/585312597.db2.gz YDISNKFPEDDSAE-LLVKDONJSA-N 0 1 222.332 3.030 20 0 BGADMN CC[C@H]1CCN(Cc2ncc(C(C)C)o2)C1 ZINC000756001372 585312545 /nfs/dbraw/zinc/31/25/45/585312545.db2.gz YDISNKFPEDDSAE-NSHDSACASA-N 0 1 222.332 3.030 20 0 BGADMN Cc1ccnc(CN(C2CC2)C2CCCCC2)n1 ZINC000756489773 585320234 /nfs/dbraw/zinc/32/02/34/585320234.db2.gz WQUOJSSEXRDBTI-UHFFFAOYSA-N 0 1 245.370 3.082 20 0 BGADMN Cc1ccnc(CN(C)C2CCCCCCC2)n1 ZINC000756505370 585320472 /nfs/dbraw/zinc/32/04/72/585320472.db2.gz QMPUZOSAPGPSQY-UHFFFAOYSA-N 0 1 247.386 3.330 20 0 BGADMN CC(C)Cc1ccc(CSc2cn[nH]n2)cc1 ZINC000757745409 585345140 /nfs/dbraw/zinc/34/51/40/585345140.db2.gz CEDZBQWAKMKIRL-UHFFFAOYSA-N 0 1 247.367 3.296 20 0 BGADMN CC(C)c1cnc(CN2[C@H](C)CC[C@H]2C)o1 ZINC000757862769 585346181 /nfs/dbraw/zinc/34/61/81/585346181.db2.gz VDPSEPMBOKSUPC-GHMZBOCLSA-N 0 1 222.332 3.171 20 0 BGADMN CC(C)c1cnc(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000757862770 585346200 /nfs/dbraw/zinc/34/62/00/585346200.db2.gz VDPSEPMBOKSUPC-PHIMTYICSA-N 0 1 222.332 3.171 20 0 BGADMN CC(C)c1cnc(CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000757862771 585346223 /nfs/dbraw/zinc/34/62/23/585346223.db2.gz VDPSEPMBOKSUPC-QWRGUYRKSA-N 0 1 222.332 3.171 20 0 BGADMN COc1cccc(C2(NCc3ccoc3)CC2)c1 ZINC000758507899 585356447 /nfs/dbraw/zinc/35/64/47/585356447.db2.gz NLONHEPWZKTFHP-UHFFFAOYSA-N 0 1 243.306 3.067 20 0 BGADMN CC[C@@]1(C)CCN(Cc2ncc(C(C)C)o2)C1 ZINC000758745521 585359414 /nfs/dbraw/zinc/35/94/14/585359414.db2.gz CZGWICFVMMOFPQ-AWEZNQCLSA-N 0 1 236.359 3.420 20 0 BGADMN CC[C@]1(C)CCN(Cc2ncc(C(C)C)o2)C1 ZINC000758745532 585359448 /nfs/dbraw/zinc/35/94/48/585359448.db2.gz CZGWICFVMMOFPQ-CQSZACIVSA-N 0 1 236.359 3.420 20 0 BGADMN Cc1ccc(C(C)(C)NCc2ccoc2)cn1 ZINC000759186888 585365167 /nfs/dbraw/zinc/36/51/67/585365167.db2.gz UUKQIFSWASUXKL-UHFFFAOYSA-N 0 1 230.311 3.008 20 0 BGADMN CC(C)(C)C1=CCN(C/C=C\Cl)CC1 ZINC000759267642 585366374 /nfs/dbraw/zinc/36/63/74/585366374.db2.gz JAGRSRCHWFFKFP-DAXSKMNVSA-N 0 1 213.752 3.417 20 0 BGADMN CC(C)(C)C1=CCN(C/C=C/Cl)CC1 ZINC000759267643 585366471 /nfs/dbraw/zinc/36/64/71/585366471.db2.gz JAGRSRCHWFFKFP-QPJJXVBHSA-N 0 1 213.752 3.417 20 0 BGADMN FCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000759326205 585367642 /nfs/dbraw/zinc/36/76/42/585367642.db2.gz FHMLTVNQMZFKMM-CYBMUJFWSA-N 0 1 246.329 3.317 20 0 BGADMN FCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000759326209 584906585 /nfs/dbraw/zinc/90/65/85/584906585.db2.gz FHMLTVNQMZFKMM-ZDUSSCGKSA-N 0 1 246.329 3.317 20 0 BGADMN FCCN1CCC(Cc2cccc(F)c2)CC1 ZINC000759326865 585367559 /nfs/dbraw/zinc/36/75/59/585367559.db2.gz HPAKZNQECFBQTI-UHFFFAOYSA-N 0 1 239.309 3.050 20 0 BGADMN FCCN1CCC(C2CCCCC2)CC1 ZINC000759328264 585367529 /nfs/dbraw/zinc/36/75/29/585367529.db2.gz OSRWFOPAVUOCLI-UHFFFAOYSA-N 0 1 213.340 3.248 20 0 BGADMN CC(C)c1ccc(CN(C)CCF)cc1 ZINC000759328559 585367308 /nfs/dbraw/zinc/36/73/08/585367308.db2.gz KUCQLJYPRURECM-UHFFFAOYSA-N 0 1 209.308 3.211 20 0 BGADMN CN(CCF)CCCOc1ccc(Cl)cc1 ZINC000759328755 585367616 /nfs/dbraw/zinc/36/76/16/585367616.db2.gz SLVDVUJXYNZSBS-UHFFFAOYSA-N 0 1 245.725 3.010 20 0 BGADMN CCN(CCF)[C@@H](C)c1ccc(F)cc1 ZINC000759328937 585367610 /nfs/dbraw/zinc/36/76/10/585367610.db2.gz UZTKMNSWJIRTMA-JTQLQIEISA-N 0 1 213.271 3.178 20 0 BGADMN CCN(CCF)[C@H](C)c1ccc(F)cc1 ZINC000759328942 585367625 /nfs/dbraw/zinc/36/76/25/585367625.db2.gz UZTKMNSWJIRTMA-SNVBAGLBSA-N 0 1 213.271 3.178 20 0 BGADMN CN(CCF)Cc1ccc(C(C)(C)C)cc1 ZINC000759329162 585367440 /nfs/dbraw/zinc/36/74/40/585367440.db2.gz SETIDTNWKFBOPY-UHFFFAOYSA-N 0 1 223.335 3.385 20 0 BGADMN CCN(CCF)Cc1cccc(Cl)c1 ZINC000759329337 585367555 /nfs/dbraw/zinc/36/75/55/585367555.db2.gz ZAZNQOOSOAXLFP-UHFFFAOYSA-N 0 1 215.699 3.131 20 0 BGADMN CCN(CCF)Cc1ccc(C(F)(F)F)cc1 ZINC000759330076 585367934 /nfs/dbraw/zinc/36/79/34/585367934.db2.gz BGKZSSZPVKGVPC-UHFFFAOYSA-N 0 1 249.251 3.497 20 0 BGADMN Cc1ccc([C@@H](C)N(C)CCF)c(C)c1 ZINC000759330580 585368110 /nfs/dbraw/zinc/36/81/10/585368110.db2.gz OFYVXVKFFWIGET-GFCCVEGCSA-N 0 1 209.308 3.266 20 0 BGADMN Cc1ccc([C@H](C)N(C)CCF)c(C)c1 ZINC000759330584 585367877 /nfs/dbraw/zinc/36/78/77/585367877.db2.gz OFYVXVKFFWIGET-LBPRGKRZSA-N 0 1 209.308 3.266 20 0 BGADMN CCN(CCF)Cc1ccc(Cl)cc1 ZINC000759330688 585367279 /nfs/dbraw/zinc/36/72/79/585367279.db2.gz PUABAYMCPDDVPA-UHFFFAOYSA-N 0 1 215.699 3.131 20 0 BGADMN CCCN(CCF)Cc1ccc(F)cc1 ZINC000759330810 585367057 /nfs/dbraw/zinc/36/70/57/585367057.db2.gz SHHRCSWPMXIPER-UHFFFAOYSA-N 0 1 213.271 3.007 20 0 BGADMN Cc1cc(C)c(CN(C)CCF)c(C)c1 ZINC000759330880 585367702 /nfs/dbraw/zinc/36/77/02/585367702.db2.gz URQDDOLWUNAVQZ-UHFFFAOYSA-N 0 1 209.308 3.013 20 0 BGADMN CCCN(CCF)[C@H](C)c1ccccc1OC ZINC000759330943 585367940 /nfs/dbraw/zinc/36/79/40/585367940.db2.gz VARLLDYELZIQEG-GFCCVEGCSA-N 0 1 239.334 3.438 20 0 BGADMN CCCN(CCF)[C@@H](C)c1ccccc1OC ZINC000759330945 585367779 /nfs/dbraw/zinc/36/77/79/585367779.db2.gz VARLLDYELZIQEG-LBPRGKRZSA-N 0 1 239.334 3.438 20 0 BGADMN C[C@H](c1ccccc1)N(CCF)C1CC1 ZINC000759331137 584906598 /nfs/dbraw/zinc/90/65/98/584906598.db2.gz WJVPLTUIAUPZCO-LLVKDONJSA-N 0 1 207.292 3.182 20 0 BGADMN C[C@@H](c1ccccc1)N(CCF)C1CC1 ZINC000759331139 584906532 /nfs/dbraw/zinc/90/65/32/584906532.db2.gz WJVPLTUIAUPZCO-NSHDSACASA-N 0 1 207.292 3.182 20 0 BGADMN CC[C@@H](c1ccccc1)N(CCF)CCOC ZINC000759331150 585367766 /nfs/dbraw/zinc/36/77/66/585367766.db2.gz WMDQMHCVMQQVJR-AWEZNQCLSA-N 0 1 239.334 3.056 20 0 BGADMN CC[C@H](c1ccccc1)N(CCF)CCOC ZINC000759331151 585368073 /nfs/dbraw/zinc/36/80/73/585368073.db2.gz WMDQMHCVMQQVJR-CQSZACIVSA-N 0 1 239.334 3.056 20 0 BGADMN CCOc1ccc(CN(CCF)C(C)C)cc1 ZINC000759331162 585368102 /nfs/dbraw/zinc/36/81/02/585368102.db2.gz WQZPTBSNBFSWGU-UHFFFAOYSA-N 0 1 239.334 3.265 20 0 BGADMN CC(C)N(CCF)Cc1ccc(F)cc1 ZINC000759331184 585367693 /nfs/dbraw/zinc/36/76/93/585367693.db2.gz XBFLSPMXOYHHPA-UHFFFAOYSA-N 0 1 213.271 3.006 20 0 BGADMN FCCN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000759331191 585367928 /nfs/dbraw/zinc/36/79/28/585367928.db2.gz XCMCVCLXKZVOPI-UHFFFAOYSA-N 0 1 246.329 3.317 20 0 BGADMN CC(C)N(CCF)Cc1cccc(F)c1 ZINC000759331322 585368051 /nfs/dbraw/zinc/36/80/51/585368051.db2.gz XUULOTSLNHBDFU-UHFFFAOYSA-N 0 1 213.271 3.006 20 0 BGADMN FCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000759337660 644640086 /nfs/dbraw/zinc/64/00/86/644640086.db2.gz DWUVHEBTGKZDNN-UHFFFAOYSA-N 0 1 243.272 3.114 20 0 BGADMN CN(CCF)CCc1cccc2ccccc21 ZINC000759338527 585368693 /nfs/dbraw/zinc/36/86/93/585368693.db2.gz JGENIEORDYKUAX-UHFFFAOYSA-N 0 1 231.314 3.284 20 0 BGADMN FCCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000759341106 585369197 /nfs/dbraw/zinc/36/91/97/585369197.db2.gz DPTZJNXSRDIZIZ-LLVKDONJSA-N 0 1 227.710 3.099 20 0 BGADMN FCCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000759341107 641421229 /nfs/dbraw/zinc/42/12/29/641421229.db2.gz DPTZJNXSRDIZIZ-NSHDSACASA-N 0 1 227.710 3.099 20 0 BGADMN Cc1ccc(CN(CCF)C2CC2)cc1C ZINC000759341504 585369211 /nfs/dbraw/zinc/36/92/11/585369211.db2.gz AISRGBBYCLGHTA-UHFFFAOYSA-N 0 1 221.319 3.237 20 0 BGADMN Cc1ccc([C@@H]2CCCCN2CCF)cc1 ZINC000759341685 585369230 /nfs/dbraw/zinc/36/92/30/585369230.db2.gz CHZGVRNKTWQRMY-AWEZNQCLSA-N 0 1 221.319 3.492 20 0 BGADMN Cc1ccc([C@H]2CCCCN2CCF)cc1 ZINC000759341689 585369111 /nfs/dbraw/zinc/36/91/11/585369111.db2.gz CHZGVRNKTWQRMY-CQSZACIVSA-N 0 1 221.319 3.492 20 0 BGADMN C[C@]1(c2ccccc2)CCCN(CCF)C1 ZINC000759341737 585369019 /nfs/dbraw/zinc/36/90/19/585369019.db2.gz KUGIVCXWYSRJPW-AWEZNQCLSA-N 0 1 221.319 3.010 20 0 BGADMN C[C@@]1(c2ccccc2)CCCN(CCF)C1 ZINC000759341740 585369316 /nfs/dbraw/zinc/36/93/16/585369316.db2.gz KUGIVCXWYSRJPW-CQSZACIVSA-N 0 1 221.319 3.010 20 0 BGADMN FCCN1CCCCC[C@@H]1c1ccco1 ZINC000759342338 585368931 /nfs/dbraw/zinc/36/89/31/585368931.db2.gz IEMFMIJXFXVBKG-LLVKDONJSA-N 0 1 211.280 3.166 20 0 BGADMN FCCN1CCCCC[C@H]1c1ccco1 ZINC000759342340 585369102 /nfs/dbraw/zinc/36/91/02/585369102.db2.gz IEMFMIJXFXVBKG-NSHDSACASA-N 0 1 211.280 3.166 20 0 BGADMN FCCN1CCC(Cc2ccccc2F)CC1 ZINC000759342479 585369065 /nfs/dbraw/zinc/36/90/65/585369065.db2.gz PDGYKCMUOWAQBD-UHFFFAOYSA-N 0 1 239.309 3.050 20 0 BGADMN FCCN(Cc1ccc(F)cc1)CC1CC1 ZINC000759343189 585369629 /nfs/dbraw/zinc/36/96/29/585369629.db2.gz RNONAMZTXJSZLV-UHFFFAOYSA-N 0 1 225.282 3.007 20 0 BGADMN C[C@H]1CCN(CCF)[C@@H]1c1cccc(F)c1 ZINC000759343753 585369523 /nfs/dbraw/zinc/36/95/23/585369523.db2.gz AJDLQYJHYVJHCJ-GWCFXTLKSA-N 0 1 225.282 3.178 20 0 BGADMN C[C@H]1CCN(CCF)[C@H]1c1cccc(F)c1 ZINC000759343755 585369569 /nfs/dbraw/zinc/36/95/69/585369569.db2.gz AJDLQYJHYVJHCJ-GXFFZTMASA-N 0 1 225.282 3.178 20 0 BGADMN C[C@@H]1CCN(CCF)[C@@H]1c1cccc(F)c1 ZINC000759343759 585369566 /nfs/dbraw/zinc/36/95/66/585369566.db2.gz AJDLQYJHYVJHCJ-MFKMUULPSA-N 0 1 225.282 3.178 20 0 BGADMN C[C@@H]1CCN(CCF)[C@H]1c1cccc(F)c1 ZINC000759343760 585369492 /nfs/dbraw/zinc/36/94/92/585369492.db2.gz AJDLQYJHYVJHCJ-ZWNOBZJWSA-N 0 1 225.282 3.178 20 0 BGADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(CCF)C1 ZINC000759344061 585369668 /nfs/dbraw/zinc/36/96/68/585369668.db2.gz BSEFPIKUNAKUPA-GWCFXTLKSA-N 0 1 225.282 3.178 20 0 BGADMN C[C@H]1C[C@H](c2cccc(F)c2)N(CCF)C1 ZINC000759344064 585369663 /nfs/dbraw/zinc/36/96/63/585369663.db2.gz BSEFPIKUNAKUPA-GXFFZTMASA-N 0 1 225.282 3.178 20 0 BGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCF)C1 ZINC000759344066 585369471 /nfs/dbraw/zinc/36/94/71/585369471.db2.gz BSEFPIKUNAKUPA-MFKMUULPSA-N 0 1 225.282 3.178 20 0 BGADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(CCF)C1 ZINC000759344069 585369626 /nfs/dbraw/zinc/36/96/26/585369626.db2.gz BSEFPIKUNAKUPA-ZWNOBZJWSA-N 0 1 225.282 3.178 20 0 BGADMN Cc1ccccc1C1CCN(CCF)CC1 ZINC000759344228 641420885 /nfs/dbraw/zinc/42/08/85/641420885.db2.gz BGZPRKPJJHTJPK-UHFFFAOYSA-N 0 1 221.319 3.144 20 0 BGADMN FCCN1CCC(OCC2CCCCC2)CC1 ZINC000759345751 585370241 /nfs/dbraw/zinc/37/02/41/585370241.db2.gz IDHYWWPZDJLMRE-UHFFFAOYSA-N 0 1 243.366 3.017 20 0 BGADMN Cc1ccc([C@H]2CCCCCN2CCF)o1 ZINC000759345897 585369919 /nfs/dbraw/zinc/36/99/19/585369919.db2.gz UJCHWDCLGUKSLG-GFCCVEGCSA-N 0 1 225.307 3.475 20 0 BGADMN Cc1ccc([C@@H]2CCCCCN2CCF)o1 ZINC000759345899 585370157 /nfs/dbraw/zinc/37/01/57/585370157.db2.gz UJCHWDCLGUKSLG-LBPRGKRZSA-N 0 1 225.307 3.475 20 0 BGADMN Cc1ccc(C(C)(C)CN(C)CCF)cc1 ZINC000759348337 585370420 /nfs/dbraw/zinc/37/04/20/585370420.db2.gz VEYKQIVJAXMVLH-UHFFFAOYSA-N 0 1 223.335 3.174 20 0 BGADMN CC1CCC(OC2CCN(CCF)CC2)CC1 ZINC000759348885 585370729 /nfs/dbraw/zinc/37/07/29/585370729.db2.gz UYYUYJSLKWUCFY-UHFFFAOYSA-N 0 1 243.366 3.016 20 0 BGADMN CC(C)(C)OC1CCN(C/C=C\Cl)CC1 ZINC000759469084 585373776 /nfs/dbraw/zinc/37/37/76/585373776.db2.gz JPHKRRZQEFOIDW-DAXSKMNVSA-N 0 1 231.767 3.018 20 0 BGADMN Cc1ccc(C)c(CN(C)C/C=C\Cl)c1 ZINC000759629345 585377639 /nfs/dbraw/zinc/37/76/39/585377639.db2.gz AICYZHYKEPMVMY-DAXSKMNVSA-N 0 1 223.747 3.488 20 0 BGADMN Cc1ccc(C)c(CN(C)C/C=C/Cl)c1 ZINC000759629347 585377455 /nfs/dbraw/zinc/37/74/55/585377455.db2.gz AICYZHYKEPMVMY-QPJJXVBHSA-N 0 1 223.747 3.488 20 0 BGADMN Cc1noc(C)c1CCCNc1cc(C)ccn1 ZINC000759696241 585378656 /nfs/dbraw/zinc/37/86/56/585378656.db2.gz FRDYRBBRQUKFAJ-UHFFFAOYSA-N 0 1 245.326 3.040 20 0 BGADMN CC(C)=C(C)C(=O)Nc1cccc(Cl)c1O ZINC000759714448 585379436 /nfs/dbraw/zinc/37/94/36/585379436.db2.gz YXPAELLLIINDNI-UHFFFAOYSA-N 0 1 239.702 3.340 20 0 BGADMN CCCC(N)=NOCCCc1ccccc1C ZINC000759759357 585379818 /nfs/dbraw/zinc/37/98/18/585379818.db2.gz LSBDUEPYFJOAPN-UHFFFAOYSA-N 0 1 234.343 3.226 20 0 BGADMN Cc1cccc2c1CN(C/C=C\Cl)CC2 ZINC000759882015 585381873 /nfs/dbraw/zinc/38/18/73/585381873.db2.gz FXQAPKRAAGCALK-CLTKARDFSA-N 0 1 221.731 3.106 20 0 BGADMN Cc1cccc2c1CN(C/C=C/Cl)CC2 ZINC000759882016 585382260 /nfs/dbraw/zinc/38/22/60/585382260.db2.gz FXQAPKRAAGCALK-XVNBXDOJSA-N 0 1 221.731 3.106 20 0 BGADMN c1nc(CN2CCCCCCC2)oc1C1CC1 ZINC000760808896 585397503 /nfs/dbraw/zinc/39/75/03/585397503.db2.gz UXIWXOSLFFSHTL-UHFFFAOYSA-N 0 1 234.343 3.318 20 0 BGADMN Cc1cnc(CN(C)C2CCCCCCC2)nc1 ZINC000760822612 585397766 /nfs/dbraw/zinc/39/77/66/585397766.db2.gz VCTZTBHDURIZIE-UHFFFAOYSA-N 0 1 247.386 3.330 20 0 BGADMN CCN(CCC1CC1)Cc1ncc(C(C)C)o1 ZINC000760889829 585401520 /nfs/dbraw/zinc/40/15/20/585401520.db2.gz WAMSTCCDKYOPBQ-UHFFFAOYSA-N 0 1 236.359 3.420 20 0 BGADMN Cc1cnc(CN2CCC(CC(C)C)CC2)cn1 ZINC000760919040 585401709 /nfs/dbraw/zinc/40/17/09/585401709.db2.gz DTFLTYCZBJOOLG-UHFFFAOYSA-N 0 1 247.386 3.043 20 0 BGADMN Cc1cc(CN2CCC(CC(C)C)CC2)on1 ZINC000760919647 585401641 /nfs/dbraw/zinc/40/16/41/585401641.db2.gz IWSQMSWSTDJJJT-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN Cc1ncc(CN2CCC(CC(C)C)CC2)cn1 ZINC000760926752 585401970 /nfs/dbraw/zinc/40/19/70/585401970.db2.gz PWCSVJYLEAMHLM-UHFFFAOYSA-N 0 1 247.386 3.043 20 0 BGADMN C[C@H](c1ccccn1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761038532 584908778 /nfs/dbraw/zinc/90/87/78/584908778.db2.gz BPRXWSMCIPFSMJ-NXEZZACHSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@@H](c1ccccn1)N1CC[C@H](C(F)(F)F)C1 ZINC000761038539 584908805 /nfs/dbraw/zinc/90/88/05/584908805.db2.gz BPRXWSMCIPFSMJ-UWVGGRQHSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@@H](c1ccccn1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761038543 584908834 /nfs/dbraw/zinc/90/88/34/584908834.db2.gz BPRXWSMCIPFSMJ-VHSXEESVSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@H](c1ccccn1)N1CC[C@H](C(F)(F)F)C1 ZINC000761038546 584908820 /nfs/dbraw/zinc/90/88/20/584908820.db2.gz BPRXWSMCIPFSMJ-ZJUUUORDSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@@H](c1cccnc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761042315 585403898 /nfs/dbraw/zinc/40/38/98/585403898.db2.gz QFVIDPSLKVLAMH-GXSJLCMTSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@H](c1cccnc1)N1CC[C@H](C(F)(F)F)C1 ZINC000761042316 585404310 /nfs/dbraw/zinc/40/43/10/585404310.db2.gz QFVIDPSLKVLAMH-KOLCDFICSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@H](c1cccnc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761042317 585403940 /nfs/dbraw/zinc/40/39/40/585403940.db2.gz QFVIDPSLKVLAMH-MWLCHTKSSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@@H](c1cccnc1)N1CC[C@H](C(F)(F)F)C1 ZINC000761042318 585404104 /nfs/dbraw/zinc/40/41/04/585404104.db2.gz QFVIDPSLKVLAMH-ONGXEEELSA-N 0 1 244.260 3.027 20 0 BGADMN Fc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761046664 585404098 /nfs/dbraw/zinc/40/40/98/585404098.db2.gz UCAGFFFGFRPXCE-JTQLQIEISA-N 0 1 247.235 3.210 20 0 BGADMN Fc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761046672 585404036 /nfs/dbraw/zinc/40/40/36/585404036.db2.gz UCAGFFFGFRPXCE-SNVBAGLBSA-N 0 1 247.235 3.210 20 0 BGADMN Fc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761050069 585404126 /nfs/dbraw/zinc/40/41/26/585404126.db2.gz BFMUECVOBOOSAH-JTQLQIEISA-N 0 1 247.235 3.210 20 0 BGADMN Fc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761050071 585403929 /nfs/dbraw/zinc/40/39/29/585403929.db2.gz BFMUECVOBOOSAH-SNVBAGLBSA-N 0 1 247.235 3.210 20 0 BGADMN C[C@@H](c1ccncc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761060244 585404994 /nfs/dbraw/zinc/40/49/94/585404994.db2.gz ZQKFFDPVCAJFEP-GXSJLCMTSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@H](c1ccncc1)N1CC[C@H](C(F)(F)F)C1 ZINC000761060246 585404751 /nfs/dbraw/zinc/40/47/51/585404751.db2.gz ZQKFFDPVCAJFEP-KOLCDFICSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@H](c1ccncc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761060248 585404817 /nfs/dbraw/zinc/40/48/17/585404817.db2.gz ZQKFFDPVCAJFEP-MWLCHTKSSA-N 0 1 244.260 3.027 20 0 BGADMN C[C@@H](c1ccncc1)N1CC[C@H](C(F)(F)F)C1 ZINC000761060250 585405074 /nfs/dbraw/zinc/40/50/74/585405074.db2.gz ZQKFFDPVCAJFEP-ONGXEEELSA-N 0 1 244.260 3.027 20 0 BGADMN Fc1cccc(Cl)c1CCN1CC[C@@H]2C[C@@H]21 ZINC000761081943 585407184 /nfs/dbraw/zinc/40/71/84/585407184.db2.gz GHNKUGOLJORCTP-RNCFNFMXSA-N 0 1 239.721 3.116 20 0 BGADMN Fc1cccc(Cl)c1CCN1CC[C@H]2C[C@H]21 ZINC000761081946 585407242 /nfs/dbraw/zinc/40/72/42/585407242.db2.gz GHNKUGOLJORCTP-TVQRCGJNSA-N 0 1 239.721 3.116 20 0 BGADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H]2C[C@H]21 ZINC000761091572 585408423 /nfs/dbraw/zinc/40/84/23/585408423.db2.gz LEZZHQKHQSFMJZ-DFAYQTQMSA-N 0 1 223.266 3.120 20 0 BGADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H]2C[C@@H]21 ZINC000761091583 585408155 /nfs/dbraw/zinc/40/81/55/585408155.db2.gz LEZZHQKHQSFMJZ-JQEORGNBSA-N 0 1 223.266 3.120 20 0 BGADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H]2C[C@@H]21 ZINC000761093212 585408188 /nfs/dbraw/zinc/40/81/88/585408188.db2.gz NKSZCGZGIYDJAZ-KKFJDGPESA-N 0 1 223.266 3.120 20 0 BGADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H]2C[C@H]21 ZINC000761093216 585408427 /nfs/dbraw/zinc/40/84/27/585408427.db2.gz NKSZCGZGIYDJAZ-VYUIOLGVSA-N 0 1 223.266 3.120 20 0 BGADMN FC(F)(F)c1cccc(CN2CC[C@H]3C[C@H]32)c1 ZINC000761095843 585408533 /nfs/dbraw/zinc/40/85/33/585408533.db2.gz OQOBFHCGZZZUIZ-CMPLNLGQSA-N 0 1 241.256 3.300 20 0 BGADMN FC(F)(F)c1cccc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000761095845 585408548 /nfs/dbraw/zinc/40/85/48/585408548.db2.gz OQOBFHCGZZZUIZ-PWSUYJOCSA-N 0 1 241.256 3.300 20 0 BGADMN FC(F)(F)c1ccccc1CN1CC[C@H]2C[C@H]21 ZINC000761097018 585408995 /nfs/dbraw/zinc/40/89/95/585408995.db2.gz UNVJTHVLYKMICY-JOYOIKCWSA-N 0 1 241.256 3.300 20 0 BGADMN FC(F)(F)c1ccccc1CN1CC[C@@H]2C[C@@H]21 ZINC000761097019 585408919 /nfs/dbraw/zinc/40/89/19/585408919.db2.gz UNVJTHVLYKMICY-SKDRFNHKSA-N 0 1 241.256 3.300 20 0 BGADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H]2C[C@@H]21 ZINC000761097211 585408822 /nfs/dbraw/zinc/40/88/22/585408822.db2.gz SSGUJVSOEIORBK-KKFJDGPESA-N 0 1 223.266 3.120 20 0 BGADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H]2C[C@H]21 ZINC000761097213 585408902 /nfs/dbraw/zinc/40/89/02/585408902.db2.gz SSGUJVSOEIORBK-VYUIOLGVSA-N 0 1 223.266 3.120 20 0 BGADMN COc1cc(CN2CC[C@@H]3C[C@@H]32)ccc1SC ZINC000761097509 585409001 /nfs/dbraw/zinc/40/90/01/585409001.db2.gz TUVQTCUPXHFSMJ-NEPJUHHUSA-N 0 1 249.379 3.011 20 0 BGADMN COc1cc(CN2CC[C@H]3C[C@H]32)ccc1SC ZINC000761097513 585408916 /nfs/dbraw/zinc/40/89/16/585408916.db2.gz TUVQTCUPXHFSMJ-NWDGAFQWSA-N 0 1 249.379 3.011 20 0 BGADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H]2C[C@@H]21 ZINC000761099013 585409135 /nfs/dbraw/zinc/40/91/35/585409135.db2.gz XIHPFIOICGRVFH-LNLATYFQSA-N 0 1 223.266 3.120 20 0 BGADMN C[C@H](c1c(F)cccc1F)N1CC[C@H]2C[C@H]21 ZINC000761099017 585409181 /nfs/dbraw/zinc/40/91/81/585409181.db2.gz XIHPFIOICGRVFH-VDDIYKPWSA-N 0 1 223.266 3.120 20 0 BGADMN CCN(CCC1CC1)Cc1coc(C2CC2)n1 ZINC000761226847 585412794 /nfs/dbraw/zinc/41/27/94/585412794.db2.gz WBUHBPUERIWNCI-UHFFFAOYSA-N 0 1 234.343 3.174 20 0 BGADMN CCC(CC)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000762110775 641717522 /nfs/dbraw/zinc/71/75/22/641717522.db2.gz OUIXMWHEKTXPKS-UHFFFAOYSA-N 0 1 248.282 3.015 20 0 BGADMN CCCCC(N)=NOCCCC(C)C ZINC000762212806 585429208 /nfs/dbraw/zinc/42/92/08/585429208.db2.gz WFGPRUYYVNBGKO-UHFFFAOYSA-N 0 1 200.326 3.111 20 0 BGADMN O=C(OCC1CCC1)c1ccc(O)c(Cl)c1 ZINC000762828510 584916238 /nfs/dbraw/zinc/91/62/38/584916238.db2.gz GCMSJUACTOESOK-UHFFFAOYSA-N 0 1 240.686 3.003 20 0 BGADMN O=C(OCCC1CC1)c1ccc(O)c(Cl)c1 ZINC000762829963 585438112 /nfs/dbraw/zinc/43/81/12/585438112.db2.gz LWGWNVJJIZQWBQ-UHFFFAOYSA-N 0 1 240.686 3.003 20 0 BGADMN CCC(CC)OC(=O)c1ccc(O)c(Cl)c1 ZINC000762831977 585438142 /nfs/dbraw/zinc/43/81/42/585438142.db2.gz SUMLXXXMIYUHGE-UHFFFAOYSA-N 0 1 242.702 3.391 20 0 BGADMN CCC[C@@H](C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000762832948 712411701 /nfs/dbraw/zinc/41/17/01/712411701.db2.gz XQKHWENVLMODGJ-MRVPVSSYSA-N 0 1 242.702 3.391 20 0 BGADMN CCC[C@H](C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000762832950 712411654 /nfs/dbraw/zinc/41/16/54/712411654.db2.gz XQKHWENVLMODGJ-QMMMGPOBSA-N 0 1 242.702 3.391 20 0 BGADMN CN(Cc1cocn1)C1CCCCCCC1 ZINC000762987984 585440903 /nfs/dbraw/zinc/44/09/03/585440903.db2.gz FGQCHDFYTVBLCY-UHFFFAOYSA-N 0 1 222.332 3.219 20 0 BGADMN CCc1nc(CSC(C)(C)C(C)C)n[nH]1 ZINC000762994642 585441235 /nfs/dbraw/zinc/44/12/35/585441235.db2.gz LYCIWOAJSZAGQJ-UHFFFAOYSA-N 0 1 227.377 3.035 20 0 BGADMN CC(C)C(N)=NOCCCC1CCCC1 ZINC000763205636 585444374 /nfs/dbraw/zinc/44/43/74/585444374.db2.gz MESGSIGNOKJHFE-UHFFFAOYSA-N 0 1 212.337 3.111 20 0 BGADMN Cc1ccccc1CCCON=C(N)C(C)C ZINC000763206397 585444658 /nfs/dbraw/zinc/44/46/58/585444658.db2.gz XKGGTUFFZAQAHE-UHFFFAOYSA-N 0 1 234.343 3.082 20 0 BGADMN Cc1cccc2c1CN(Cc1ccoc1)CC2 ZINC000763499324 585449120 /nfs/dbraw/zinc/44/91/20/585449120.db2.gz CFMJBXBPLIQZPE-UHFFFAOYSA-N 0 1 227.307 3.146 20 0 BGADMN CN(C/C(Cl)=C/Cl)C(C1CC1)C1CC1 ZINC000763519011 585449434 /nfs/dbraw/zinc/44/94/34/585449434.db2.gz PUAUTBSBBUBMDM-POHAHGRESA-N 0 1 234.170 3.426 20 0 BGADMN CN(C/C(Cl)=C\Cl)C(C1CC1)C1CC1 ZINC000763519014 585449375 /nfs/dbraw/zinc/44/93/75/585449375.db2.gz PUAUTBSBBUBMDM-UXBLZVDNSA-N 0 1 234.170 3.426 20 0 BGADMN Cl/C=C(\Cl)CN(CC1CC1)CC1CC1 ZINC000763560813 585450811 /nfs/dbraw/zinc/45/08/11/585450811.db2.gz IAQIXKYQAUJYIX-WZUFQYTHSA-N 0 1 234.170 3.427 20 0 BGADMN Cc1cc(CN2Cc3ccccc3[C@H](C)C2)on1 ZINC000763630422 585451330 /nfs/dbraw/zinc/45/13/30/585451330.db2.gz KXXNKWNTXUTGHD-LLVKDONJSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1cc(CN2Cc3ccccc3[C@@H](C)C2)on1 ZINC000763630424 585451367 /nfs/dbraw/zinc/45/13/67/585451367.db2.gz KXXNKWNTXUTGHD-NSHDSACASA-N 0 1 242.322 3.102 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000764483137 585466448 /nfs/dbraw/zinc/46/64/48/585466448.db2.gz CXHFJSIRKXNGKF-GFCCVEGCSA-N 0 1 234.343 3.030 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C3CC3)C2)o1 ZINC000764483138 585466594 /nfs/dbraw/zinc/46/65/94/585466594.db2.gz CXHFJSIRKXNGKF-LBPRGKRZSA-N 0 1 234.343 3.030 20 0 BGADMN Cc1ccc(CNCc2c(C)cccc2F)cn1 ZINC000764976630 585478414 /nfs/dbraw/zinc/47/84/14/585478414.db2.gz ZBUZOOWNZPHIIF-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN CC[C@H](C(=O)OCC(C)(C)CC)N(CC)CC ZINC000765962897 585494665 /nfs/dbraw/zinc/49/46/65/585494665.db2.gz GFWZRCYUUINQES-GFCCVEGCSA-N 0 1 243.391 3.086 20 0 BGADMN CC[C@@H](C(=O)OCC(C)(C)CC)N(CC)CC ZINC000765962899 585494378 /nfs/dbraw/zinc/49/43/78/585494378.db2.gz GFWZRCYUUINQES-LBPRGKRZSA-N 0 1 243.391 3.086 20 0 BGADMN CC[C@H](C(=O)O[C@H](C)CC(C)C)N(CC)CC ZINC000765965989 585494672 /nfs/dbraw/zinc/49/46/72/585494672.db2.gz HTDHTVQIDCOSOV-CHWSQXEVSA-N 0 1 243.391 3.085 20 0 BGADMN CC[C@@H](C(=O)O[C@H](C)CC(C)C)N(CC)CC ZINC000765965994 585494470 /nfs/dbraw/zinc/49/44/70/585494470.db2.gz HTDHTVQIDCOSOV-OLZOCXBDSA-N 0 1 243.391 3.085 20 0 BGADMN CC[C@H](C(=O)O[C@@H](C)CC(C)C)N(CC)CC ZINC000765965999 585494667 /nfs/dbraw/zinc/49/46/67/585494667.db2.gz HTDHTVQIDCOSOV-QWHCGFSZSA-N 0 1 243.391 3.085 20 0 BGADMN CC[C@@H](C(=O)O[C@@H](C)CC(C)C)N(CC)CC ZINC000765966003 585494628 /nfs/dbraw/zinc/49/46/28/585494628.db2.gz HTDHTVQIDCOSOV-STQMWFEESA-N 0 1 243.391 3.085 20 0 BGADMN CCc1cc(CN[C@H](C)c2cccc(C)c2)[nH]n1 ZINC000765999561 585495608 /nfs/dbraw/zinc/49/56/08/585495608.db2.gz BXXKQBNSLHPPBJ-GFCCVEGCSA-N 0 1 243.354 3.131 20 0 BGADMN CCc1cc(CN[C@@H](C)c2cccc(C)c2)[nH]n1 ZINC000765999562 585495504 /nfs/dbraw/zinc/49/55/04/585495504.db2.gz BXXKQBNSLHPPBJ-LBPRGKRZSA-N 0 1 243.354 3.131 20 0 BGADMN CCc1cc(CN[C@H](C)c2ccc(C)cc2)[nH]n1 ZINC000766004751 585495724 /nfs/dbraw/zinc/49/57/24/585495724.db2.gz SJMGDORZHTZQGP-GFCCVEGCSA-N 0 1 243.354 3.131 20 0 BGADMN CCc1cc(CN[C@@H](C)c2ccc(C)cc2)[nH]n1 ZINC000766004760 585495729 /nfs/dbraw/zinc/49/57/29/585495729.db2.gz SJMGDORZHTZQGP-LBPRGKRZSA-N 0 1 243.354 3.131 20 0 BGADMN C[C@H](c1ccc(F)cc1F)N(C)CCCF ZINC000766025835 585496337 /nfs/dbraw/zinc/49/63/37/585496337.db2.gz DFWYUBLDYYFPNY-SECBINFHSA-N 0 1 231.261 3.317 20 0 BGADMN C[C@@H](c1ccc(F)cc1F)N(C)CCCF ZINC000766025855 585496282 /nfs/dbraw/zinc/49/62/82/585496282.db2.gz DFWYUBLDYYFPNY-VIFPVBQESA-N 0 1 231.261 3.317 20 0 BGADMN CN(CCCF)Cc1ccc(Cl)cc1F ZINC000766073943 585497134 /nfs/dbraw/zinc/49/71/34/585497134.db2.gz YGKLNPGVQDSXOO-UHFFFAOYSA-N 0 1 233.689 3.271 20 0 BGADMN CCCNc1ccc(CNCc2ccoc2)cc1 ZINC000766213004 585498905 /nfs/dbraw/zinc/49/89/05/585498905.db2.gz JXQCQPDVETVKSL-UHFFFAOYSA-N 0 1 244.338 3.391 20 0 BGADMN CCCC(N)=NOCCc1ccccc1CC ZINC000766711800 585506214 /nfs/dbraw/zinc/50/62/14/585506214.db2.gz RBOCDASZCPLTKM-UHFFFAOYSA-N 0 1 234.343 3.090 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000766991528 585512394 /nfs/dbraw/zinc/51/23/94/585512394.db2.gz MWWALQFYKPDJMO-NEPJUHHUSA-N 0 1 236.359 3.276 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C)[C@H](C)C2)o1 ZINC000766991530 585512651 /nfs/dbraw/zinc/51/26/51/585512651.db2.gz MWWALQFYKPDJMO-NWDGAFQWSA-N 0 1 236.359 3.276 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C)[C@@H](C)C2)o1 ZINC000766991533 585512390 /nfs/dbraw/zinc/51/23/90/585512390.db2.gz MWWALQFYKPDJMO-RYUDHWBXSA-N 0 1 236.359 3.276 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C)[C@H](C)C2)o1 ZINC000766991537 585512604 /nfs/dbraw/zinc/51/26/04/585512604.db2.gz MWWALQFYKPDJMO-VXGBXAGGSA-N 0 1 236.359 3.276 20 0 BGADMN CC/C=C\CCN1CCC[C@H]1c1cc(C)on1 ZINC000767302607 585516517 /nfs/dbraw/zinc/51/65/17/585516517.db2.gz ZAUHCNVSMBHPED-WSNITJDQSA-N 0 1 234.343 3.476 20 0 BGADMN CC/C=C\CCN1CCC[C@@H]1c1cc(C)on1 ZINC000767302610 585516478 /nfs/dbraw/zinc/51/64/78/585516478.db2.gz ZAUHCNVSMBHPED-ZRUQZJFASA-N 0 1 234.343 3.476 20 0 BGADMN CC(C)CC1CCN([C@H](C)c2cnccn2)CC1 ZINC000767317808 585516697 /nfs/dbraw/zinc/51/66/97/585516697.db2.gz BXYKPSOWMUTSHI-CYBMUJFWSA-N 0 1 247.386 3.296 20 0 BGADMN CC(C)CC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000767317831 585516694 /nfs/dbraw/zinc/51/66/94/585516694.db2.gz BXYKPSOWMUTSHI-ZDUSSCGKSA-N 0 1 247.386 3.296 20 0 BGADMN C[C@H](c1ccccc1F)N(C)CCC(=O)C1CC1 ZINC000767349704 584944787 /nfs/dbraw/zinc/94/47/87/584944787.db2.gz WQQNVRMJLOBTAF-LLVKDONJSA-N 0 1 249.329 3.188 20 0 BGADMN C[C@@H](c1ccccc1F)N(C)CCC(=O)C1CC1 ZINC000767349705 584944775 /nfs/dbraw/zinc/94/47/75/584944775.db2.gz WQQNVRMJLOBTAF-NSHDSACASA-N 0 1 249.329 3.188 20 0 BGADMN C[C@H]1c2ccsc2CCN1CCC(=O)C1CC1 ZINC000767362952 585517790 /nfs/dbraw/zinc/51/77/90/585517790.db2.gz QYQDCXATAMQYDF-JTQLQIEISA-N 0 1 249.379 3.036 20 0 BGADMN C[C@@H]1c2ccsc2CCN1CCC(=O)C1CC1 ZINC000767362955 585517879 /nfs/dbraw/zinc/51/78/79/585517879.db2.gz QYQDCXATAMQYDF-SNVBAGLBSA-N 0 1 249.379 3.036 20 0 BGADMN O=C(CCN(Cc1cccs1)C1CC1)C1CC1 ZINC000767363692 585517908 /nfs/dbraw/zinc/51/79/08/585517908.db2.gz VSKMZGLPPMNWTR-UHFFFAOYSA-N 0 1 249.379 3.082 20 0 BGADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CCC(=O)C1CC1 ZINC000767364916 585517886 /nfs/dbraw/zinc/51/78/86/585517886.db2.gz XMRGQILHJUCAFX-CYBMUJFWSA-N 0 1 245.366 3.357 20 0 BGADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCC(=O)C1CC1 ZINC000767364917 585517668 /nfs/dbraw/zinc/51/76/68/585517668.db2.gz XMRGQILHJUCAFX-ZDUSSCGKSA-N 0 1 245.366 3.357 20 0 BGADMN C[C@H](c1ccco1)N(CCC(=O)C1CC1)C1CC1 ZINC000767429087 585520091 /nfs/dbraw/zinc/52/00/91/585520091.db2.gz JOEALJKQOXEATG-LLVKDONJSA-N 0 1 247.338 3.174 20 0 BGADMN C[C@@H](c1ccco1)N(CCC(=O)C1CC1)C1CC1 ZINC000767429088 585520140 /nfs/dbraw/zinc/52/01/40/585520140.db2.gz JOEALJKQOXEATG-NSHDSACASA-N 0 1 247.338 3.174 20 0 BGADMN CC/C=C\CCOC(=O)[C@@H](CC)N(CC)CC ZINC000767554019 585522406 /nfs/dbraw/zinc/52/24/06/585522406.db2.gz HZHPPPPULOQHHW-ASCRHOAZSA-N 0 1 241.375 3.006 20 0 BGADMN CC/C=C/CCOC(=O)[C@H](CC)N(CC)CC ZINC000767554021 585522378 /nfs/dbraw/zinc/52/23/78/585522378.db2.gz HZHPPPPULOQHHW-LXKVQUBZSA-N 0 1 241.375 3.006 20 0 BGADMN CC/C=C/CCOC(=O)[C@@H](CC)N(CC)CC ZINC000767554022 585522397 /nfs/dbraw/zinc/52/23/97/585522397.db2.gz HZHPPPPULOQHHW-WTNCMQEWSA-N 0 1 241.375 3.006 20 0 BGADMN CC/C=C\CCOC(=O)[C@H](CC)N(CC)CC ZINC000767554023 585522485 /nfs/dbraw/zinc/52/24/85/585522485.db2.gz HZHPPPPULOQHHW-XPSMFNQNSA-N 0 1 241.375 3.006 20 0 BGADMN Oc1ccc([C@H]2CCCN2C/C=C/Cl)cc1 ZINC000767892966 585527656 /nfs/dbraw/zinc/52/76/56/585527656.db2.gz ZBJGWCWLFGZRBW-DRQXCOHGSA-N 0 1 237.730 3.282 20 0 BGADMN Oc1ccc([C@@H]2CCCN2C/C=C/Cl)cc1 ZINC000767892967 585527662 /nfs/dbraw/zinc/52/76/62/585527662.db2.gz ZBJGWCWLFGZRBW-IADWALHJSA-N 0 1 237.730 3.282 20 0 BGADMN Oc1ccc([C@@H]2CCCN2C/C=C\Cl)cc1 ZINC000767892968 585527575 /nfs/dbraw/zinc/52/75/75/585527575.db2.gz ZBJGWCWLFGZRBW-YFBARTHOSA-N 0 1 237.730 3.282 20 0 BGADMN Oc1ccc([C@H]2CCCN2C/C=C\Cl)cc1 ZINC000767892970 585527480 /nfs/dbraw/zinc/52/74/80/585527480.db2.gz ZBJGWCWLFGZRBW-ZUNOPDERSA-N 0 1 237.730 3.282 20 0 BGADMN Cc1cc(CN2CCc3ccccc3C2)c(C)o1 ZINC000768128968 585532473 /nfs/dbraw/zinc/53/24/73/585532473.db2.gz AIYAVECRZBHXKX-UHFFFAOYSA-N 0 1 241.334 3.455 20 0 BGADMN C[C@@H]1C[C@@H](C)CN(Cc2coc(C3CC3)n2)C1 ZINC000768136669 585532914 /nfs/dbraw/zinc/53/29/14/585532914.db2.gz AOXBWEULWUGSML-GHMZBOCLSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@@H]1C[C@H](C)CN(Cc2coc(C3CC3)n2)C1 ZINC000768136670 585532725 /nfs/dbraw/zinc/53/27/25/585532725.db2.gz AOXBWEULWUGSML-PHIMTYICSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@H]1C[C@H](C)CN(Cc2coc(C3CC3)n2)C1 ZINC000768136671 585532971 /nfs/dbraw/zinc/53/29/71/585532971.db2.gz AOXBWEULWUGSML-QWRGUYRKSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@@H]1CCC[C@@H](C)N1Cc1coc(C2CC2)n1 ZINC000768136731 585532930 /nfs/dbraw/zinc/53/29/30/585532930.db2.gz DNYGZLPMLJELGW-GHMZBOCLSA-N 0 1 234.343 3.315 20 0 BGADMN C[C@@H]1CCC[C@H](C)N1Cc1coc(C2CC2)n1 ZINC000768136732 585532961 /nfs/dbraw/zinc/53/29/61/585532961.db2.gz DNYGZLPMLJELGW-PHIMTYICSA-N 0 1 234.343 3.315 20 0 BGADMN C[C@H]1CCC[C@H](C)N1Cc1coc(C2CC2)n1 ZINC000768136733 585532881 /nfs/dbraw/zinc/53/28/81/585532881.db2.gz DNYGZLPMLJELGW-QWRGUYRKSA-N 0 1 234.343 3.315 20 0 BGADMN CC[C@@H]1CCCCN1Cc1coc(C2CC2)n1 ZINC000768137466 585532863 /nfs/dbraw/zinc/53/28/63/585532863.db2.gz AKDAYUSZEPNAPQ-CYBMUJFWSA-N 0 1 234.343 3.317 20 0 BGADMN CC[C@H]1CCCCN1Cc1coc(C2CC2)n1 ZINC000768137467 585532734 /nfs/dbraw/zinc/53/27/34/585532734.db2.gz AKDAYUSZEPNAPQ-ZDUSSCGKSA-N 0 1 234.343 3.317 20 0 BGADMN Cc1cc(CN2CCCCCC2)cnc1Cl ZINC000768137516 585532486 /nfs/dbraw/zinc/53/24/86/585532486.db2.gz FSIPXJKNKGVDIV-UHFFFAOYSA-N 0 1 238.762 3.419 20 0 BGADMN CN(Cc1coc(C2CC2)n1)C1CCCCC1 ZINC000768137525 585532594 /nfs/dbraw/zinc/53/25/94/585532594.db2.gz GKOOPTZGULTCRR-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN Cc1cc(CN2CCC[C@H](C)C2)cnc1Cl ZINC000768138400 585532805 /nfs/dbraw/zinc/53/28/05/585532805.db2.gz KJEZQCRZHVXUHB-JTQLQIEISA-N 0 1 238.762 3.275 20 0 BGADMN Cc1cc(CN2CCC[C@@H](C)C2)cnc1Cl ZINC000768138402 585532586 /nfs/dbraw/zinc/53/25/86/585532586.db2.gz KJEZQCRZHVXUHB-SNVBAGLBSA-N 0 1 238.762 3.275 20 0 BGADMN CCCN(CCC)Cc1coc(C2CC2)n1 ZINC000768138436 585532855 /nfs/dbraw/zinc/53/28/55/585532855.db2.gz VIHUYKVQVGIZHQ-UHFFFAOYSA-N 0 1 222.332 3.174 20 0 BGADMN Cc1cc(CN2CCCC[C@H]2C)cnc1Cl ZINC000768142295 585532690 /nfs/dbraw/zinc/53/26/90/585532690.db2.gz AKLQAESRBSJWQO-LLVKDONJSA-N 0 1 238.762 3.418 20 0 BGADMN Cc1cc(CN2CCCC[C@@H]2C)cnc1Cl ZINC000768142297 585532749 /nfs/dbraw/zinc/53/27/49/585532749.db2.gz AKLQAESRBSJWQO-NSHDSACASA-N 0 1 238.762 3.418 20 0 BGADMN CCCCN(CC)Cc1coc(C2CC2)n1 ZINC000768142327 585532739 /nfs/dbraw/zinc/53/27/39/585532739.db2.gz AXNPFIPPHCQNJP-UHFFFAOYSA-N 0 1 222.332 3.174 20 0 BGADMN Cc1cc(CN2CCC(C)CC2)cnc1Cl ZINC000768142349 585532956 /nfs/dbraw/zinc/53/29/56/585532956.db2.gz BPGQMGPVTRKHPX-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN c1oc(C2CC2)nc1CN1CCCCCCC1 ZINC000768145226 585533175 /nfs/dbraw/zinc/53/31/75/585533175.db2.gz YQLGZMOJEHIXDM-UHFFFAOYSA-N 0 1 234.343 3.318 20 0 BGADMN C[C@@H]1CN(Cc2ccco2)Cc2ccccc21 ZINC000768195047 585533660 /nfs/dbraw/zinc/53/36/60/585533660.db2.gz JUESIAFQOIUTAK-GFCCVEGCSA-N 0 1 227.307 3.399 20 0 BGADMN C[C@H]1CN(Cc2ccco2)Cc2ccccc21 ZINC000768195048 585533754 /nfs/dbraw/zinc/53/37/54/585533754.db2.gz JUESIAFQOIUTAK-LBPRGKRZSA-N 0 1 227.307 3.399 20 0 BGADMN C[C@@H]1CN(Cc2ccoc2)Cc2ccccc21 ZINC000768195554 585533649 /nfs/dbraw/zinc/53/36/49/585533649.db2.gz MNXQHHAZZCYECS-GFCCVEGCSA-N 0 1 227.307 3.399 20 0 BGADMN C[C@H]1CN(Cc2ccoc2)Cc2ccccc21 ZINC000768195555 585533635 /nfs/dbraw/zinc/53/36/35/585533635.db2.gz MNXQHHAZZCYECS-LBPRGKRZSA-N 0 1 227.307 3.399 20 0 BGADMN C[C@@H]1CN(Cc2cncs2)Cc2ccccc21 ZINC000768195624 585533770 /nfs/dbraw/zinc/53/37/70/585533770.db2.gz OXTNSHRTYVWRAN-LLVKDONJSA-N 0 1 244.363 3.262 20 0 BGADMN C[C@H]1CN(Cc2cncs2)Cc2ccccc21 ZINC000768195625 585533652 /nfs/dbraw/zinc/53/36/52/585533652.db2.gz OXTNSHRTYVWRAN-NSHDSACASA-N 0 1 244.363 3.262 20 0 BGADMN Cc1cc(CN2C3CCC2CC3)cnc1Cl ZINC000768226744 585534134 /nfs/dbraw/zinc/53/41/34/585534134.db2.gz CEEYQSRUZFATKK-UHFFFAOYSA-N 0 1 236.746 3.170 20 0 BGADMN c1cc(CN(Cc2ccccc2)C2CC2)co1 ZINC000768230660 585534330 /nfs/dbraw/zinc/53/43/30/585534330.db2.gz SNLQHAUXYRPFNK-UHFFFAOYSA-N 0 1 227.307 3.444 20 0 BGADMN COc1ccc([C@@H](C)N(C)Cc2ccoc2)cc1 ZINC000768236778 585534547 /nfs/dbraw/zinc/53/45/47/585534547.db2.gz LIYGHTASXVZNHO-GFCCVEGCSA-N 0 1 245.322 3.481 20 0 BGADMN COc1ccc([C@H](C)N(C)Cc2ccoc2)cc1 ZINC000768236779 585534479 /nfs/dbraw/zinc/53/44/79/585534479.db2.gz LIYGHTASXVZNHO-LBPRGKRZSA-N 0 1 245.322 3.481 20 0 BGADMN FC(F)(F)C1CCN(Cc2ccoc2)CC1 ZINC000768245161 585534596 /nfs/dbraw/zinc/53/45/96/585534596.db2.gz XCECNCBPFPMJRA-UHFFFAOYSA-N 0 1 233.233 3.054 20 0 BGADMN c1oc(C2CC2)nc1CN(C1CC1)C1CCCC1 ZINC000768252274 585534866 /nfs/dbraw/zinc/53/48/66/585534866.db2.gz HYLXZDPTLMOVSP-UHFFFAOYSA-N 0 1 246.354 3.459 20 0 BGADMN CC(C)[C@H](C)N(C)Cc1coc(C2CC2)n1 ZINC000768269315 585535160 /nfs/dbraw/zinc/53/51/60/585535160.db2.gz MNVDUFXUDYNMJX-JTQLQIEISA-N 0 1 222.332 3.028 20 0 BGADMN CC(C)[C@@H](C)N(C)Cc1coc(C2CC2)n1 ZINC000768269317 585535155 /nfs/dbraw/zinc/53/51/55/585535155.db2.gz MNVDUFXUDYNMJX-SNVBAGLBSA-N 0 1 222.332 3.028 20 0 BGADMN CC[N@@H+](Cc1cncc2ccccc21)C1CC1 ZINC000768300358 585535582 /nfs/dbraw/zinc/53/55/82/585535582.db2.gz AQXDWVWVWFORFJ-UHFFFAOYSA-N 0 1 226.323 3.219 20 0 BGADMN CC[N@@H+](Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000768300384 585535383 /nfs/dbraw/zinc/53/53/83/585535383.db2.gz AXXJDJRHYGMHLP-UHFFFAOYSA-N 0 1 245.322 3.426 20 0 BGADMN CC(C)[C@H]1CCCN1Cc1coc(C2CC2)n1 ZINC000768320262 585535924 /nfs/dbraw/zinc/53/59/24/585535924.db2.gz RVBZDQGXPNGUEU-CYBMUJFWSA-N 0 1 234.343 3.172 20 0 BGADMN CC(C)[C@@H]1CCCN1Cc1coc(C2CC2)n1 ZINC000768320263 585535795 /nfs/dbraw/zinc/53/57/95/585535795.db2.gz RVBZDQGXPNGUEU-ZDUSSCGKSA-N 0 1 234.343 3.172 20 0 BGADMN CCN(Cc1coc(C2CC2)n1)CC(C)C ZINC000768334226 585535649 /nfs/dbraw/zinc/53/56/49/585535649.db2.gz BJPWZYWJMFBWRZ-UHFFFAOYSA-N 0 1 222.332 3.030 20 0 BGADMN CC[N@H+](Cc1coc(C2CC2)n1)CC(C)C ZINC000768334226 585535648 /nfs/dbraw/zinc/53/56/48/585535648.db2.gz BJPWZYWJMFBWRZ-UHFFFAOYSA-N 0 1 222.332 3.030 20 0 BGADMN CCN(Cc1coc(C2CC2)n1)C1CCCC1 ZINC000768335369 585535693 /nfs/dbraw/zinc/53/56/93/585535693.db2.gz MTEFCRRHCBUOBD-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN CC[N@@H+](Cc1coc(C2CC2)n1)C1CCCC1 ZINC000768335369 585535692 /nfs/dbraw/zinc/53/56/92/585535692.db2.gz MTEFCRRHCBUOBD-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN COc1cccc2cc(C[N@@H+](C)C3CC3)oc21 ZINC000768335465 585535899 /nfs/dbraw/zinc/53/58/99/585535899.db2.gz QDKLISCKQHJLSQ-UHFFFAOYSA-N 0 1 231.295 3.036 20 0 BGADMN CCC[C@H](C)N(C)Cc1coc(C2CC2)n1 ZINC000768338492 585535989 /nfs/dbraw/zinc/53/59/89/585535989.db2.gz LHUVKWIUWALZOO-JTQLQIEISA-N 0 1 222.332 3.172 20 0 BGADMN CCC[C@@H](C)N(C)Cc1coc(C2CC2)n1 ZINC000768338494 585536213 /nfs/dbraw/zinc/53/62/13/585536213.db2.gz LHUVKWIUWALZOO-SNVBAGLBSA-N 0 1 222.332 3.172 20 0 BGADMN CCC[C@@H](C)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000768338494 585536212 /nfs/dbraw/zinc/53/62/12/585536212.db2.gz LHUVKWIUWALZOO-SNVBAGLBSA-N 0 1 222.332 3.172 20 0 BGADMN CC[C@H](C)[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768339936 585535998 /nfs/dbraw/zinc/53/59/98/585535998.db2.gz WLIAOWOSUZYUHY-JTQLQIEISA-N 0 1 226.751 3.274 20 0 BGADMN CC[C@@H](C)[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768339937 585536164 /nfs/dbraw/zinc/53/61/64/585536164.db2.gz WLIAOWOSUZYUHY-SNVBAGLBSA-N 0 1 226.751 3.274 20 0 BGADMN c1cc(CN2CCC[C@H]2c2ccccn2)co1 ZINC000768361219 585537062 /nfs/dbraw/zinc/53/70/62/585537062.db2.gz QIDUUXZTHYVZNT-AWEZNQCLSA-N 0 1 228.295 3.012 20 0 BGADMN c1cc(CN2CCC[C@@H]2c2ccccn2)co1 ZINC000768361227 585536955 /nfs/dbraw/zinc/53/69/55/585536955.db2.gz QIDUUXZTHYVZNT-CQSZACIVSA-N 0 1 228.295 3.012 20 0 BGADMN C[C@@H](C1CC1)N(Cc1coc(C2CC2)n1)C1CC1 ZINC000768532487 585540167 /nfs/dbraw/zinc/54/01/67/585540167.db2.gz KWIRPGVNEJVIEF-JTQLQIEISA-N 0 1 246.354 3.315 20 0 BGADMN C[C@H](C1CC1)N(Cc1coc(C2CC2)n1)C1CC1 ZINC000768532488 585539758 /nfs/dbraw/zinc/53/97/58/585539758.db2.gz KWIRPGVNEJVIEF-SNVBAGLBSA-N 0 1 246.354 3.315 20 0 BGADMN CC(C)CN(Cc1coc(C2CC2)n1)C1CC1 ZINC000768533499 585539890 /nfs/dbraw/zinc/53/98/90/585539890.db2.gz YWBYWUVFHOVWCO-UHFFFAOYSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@H](N(C)Cc1coc(C2CC2)n1)C(C)(C)C ZINC000768545354 585539809 /nfs/dbraw/zinc/53/98/09/585539809.db2.gz YFHQOMMCXVUQRL-JTQLQIEISA-N 0 1 236.359 3.418 20 0 BGADMN C[C@@H](N(C)Cc1coc(C2CC2)n1)C(C)(C)C ZINC000768545356 585539779 /nfs/dbraw/zinc/53/97/79/585539779.db2.gz YFHQOMMCXVUQRL-SNVBAGLBSA-N 0 1 236.359 3.418 20 0 BGADMN CC(C)N(Cc1coc(C2CC2)n1)CC1CC1 ZINC000768672869 585541759 /nfs/dbraw/zinc/54/17/59/585541759.db2.gz GOZURQCXLMQZIE-UHFFFAOYSA-N 0 1 234.343 3.172 20 0 BGADMN Cl/C=C\CN1CCC(c2cccnc2)CC1 ZINC000768753756 585542307 /nfs/dbraw/zinc/54/23/07/585542307.db2.gz DUNGWFOPTKBRLY-KXFIGUGUSA-N 0 1 236.746 3.014 20 0 BGADMN Cl/C=C/CN1CCC(c2cccnc2)CC1 ZINC000768753757 585542533 /nfs/dbraw/zinc/54/25/33/585542533.db2.gz DUNGWFOPTKBRLY-QHHAFSJGSA-N 0 1 236.746 3.014 20 0 BGADMN CC[C@H](C)CN(C)Cc1coc(C2CC2)n1 ZINC000768770315 585543033 /nfs/dbraw/zinc/54/30/33/585543033.db2.gz UDANNXBXYPEOBP-JTQLQIEISA-N 0 1 222.332 3.030 20 0 BGADMN CC[C@@H](C)CN(C)Cc1coc(C2CC2)n1 ZINC000768770319 585543292 /nfs/dbraw/zinc/54/32/92/585543292.db2.gz UDANNXBXYPEOBP-SNVBAGLBSA-N 0 1 222.332 3.030 20 0 BGADMN Cc1cc(Cl)ccc1CSc1cn[nH]n1 ZINC000768802394 585543801 /nfs/dbraw/zinc/54/38/01/585543801.db2.gz ANQTYXHDSHCCBC-UHFFFAOYSA-N 0 1 239.731 3.059 20 0 BGADMN CC[C@@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000768846351 584953265 /nfs/dbraw/zinc/95/32/65/584953265.db2.gz MPYLKGPEJDIZET-LLVKDONJSA-N 0 1 234.343 3.174 20 0 BGADMN CC[C@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000768846353 584953361 /nfs/dbraw/zinc/95/33/61/584953361.db2.gz MPYLKGPEJDIZET-NSHDSACASA-N 0 1 234.343 3.174 20 0 BGADMN CCC(N)=NOCc1ccc(Cl)cc1C ZINC000768928156 585546037 /nfs/dbraw/zinc/54/60/37/585546037.db2.gz WPTGCJFENWMWRZ-UHFFFAOYSA-N 0 1 226.707 3.057 20 0 BGADMN c1oc(C2CC2)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000769103003 585549096 /nfs/dbraw/zinc/54/90/96/585549096.db2.gz RZWZOPOVAOBURJ-BXUZGUMPSA-N 0 1 246.354 3.317 20 0 BGADMN c1oc(C2CC2)nc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000769103004 585549108 /nfs/dbraw/zinc/54/91/08/585549108.db2.gz RZWZOPOVAOBURJ-FZMZJTMJSA-N 0 1 246.354 3.317 20 0 BGADMN c1oc(C2CC2)nc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000769103005 585549232 /nfs/dbraw/zinc/54/92/32/585549232.db2.gz RZWZOPOVAOBURJ-RISCZKNCSA-N 0 1 246.354 3.317 20 0 BGADMN c1oc(C2CC2)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000769103006 585549029 /nfs/dbraw/zinc/54/90/29/585549029.db2.gz RZWZOPOVAOBURJ-SMDDNHRTSA-N 0 1 246.354 3.317 20 0 BGADMN C[C@@H]1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000769148548 585550197 /nfs/dbraw/zinc/55/01/97/585550197.db2.gz NPPMOPBZLMBMKF-LLVKDONJSA-N 0 1 234.343 3.174 20 0 BGADMN C[C@H]1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000769148549 585550138 /nfs/dbraw/zinc/55/01/38/585550138.db2.gz NPPMOPBZLMBMKF-NSHDSACASA-N 0 1 234.343 3.174 20 0 BGADMN C[N@@H+](Cc1coc(C2CC2)n1)C(C1CC1)C1CC1 ZINC000769192222 585551002 /nfs/dbraw/zinc/55/10/02/585551002.db2.gz KMSIQGHROLURKO-UHFFFAOYSA-N 0 1 246.354 3.172 20 0 BGADMN CN(Cc1coc(C2CC2)n1)CC1CCCC1 ZINC000769193077 585550880 /nfs/dbraw/zinc/55/08/80/585550880.db2.gz YTKIJIVVZDJPIV-UHFFFAOYSA-N 0 1 234.343 3.174 20 0 BGADMN C[N@H+](Cc1coc(C2CC2)n1)CC1CCCC1 ZINC000769193077 585550879 /nfs/dbraw/zinc/55/08/79/585550879.db2.gz YTKIJIVVZDJPIV-UHFFFAOYSA-N 0 1 234.343 3.174 20 0 BGADMN C[C@@H]1CCCN(Cc2coc(C3CC3)n2)[C@@H]1C ZINC000769221300 585551210 /nfs/dbraw/zinc/55/12/10/585551210.db2.gz ABRSPCUVIXHEOX-GHMZBOCLSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@@H]1CCCN(Cc2coc(C3CC3)n2)[C@H]1C ZINC000769221301 585551111 /nfs/dbraw/zinc/55/11/11/585551111.db2.gz ABRSPCUVIXHEOX-MNOVXSKESA-N 0 1 234.343 3.172 20 0 BGADMN C[C@H]1CCCN(Cc2coc(C3CC3)n2)[C@H]1C ZINC000769221303 585551223 /nfs/dbraw/zinc/55/12/23/585551223.db2.gz ABRSPCUVIXHEOX-QWRGUYRKSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@@H]1[C@@H](C)CCCN1Cc1coc(C2CC2)n1 ZINC000769221305 585551378 /nfs/dbraw/zinc/55/13/78/585551378.db2.gz ABRSPCUVIXHEOX-WDEREUQCSA-N 0 1 234.343 3.172 20 0 BGADMN Cc1ccoc1CN1CCc2c(C)cccc2C1 ZINC000769337051 585554230 /nfs/dbraw/zinc/55/42/30/585554230.db2.gz BYGJMHRJIFCLMG-UHFFFAOYSA-N 0 1 241.334 3.455 20 0 BGADMN Cc1ccc(CN2CCc3c(C)cccc3C2)o1 ZINC000769340887 585554570 /nfs/dbraw/zinc/55/45/70/585554570.db2.gz YLGNGERRJTXZAL-UHFFFAOYSA-N 0 1 241.334 3.455 20 0 BGADMN CCC(C)(C)N(C)Cc1coc(C2CC2)n1 ZINC000769379879 585554966 /nfs/dbraw/zinc/55/49/66/585554966.db2.gz BGZVCUYBLXEEGC-UHFFFAOYSA-N 0 1 222.332 3.172 20 0 BGADMN c1cc(CN2CCCc3sccc3C2)co1 ZINC000769386519 584963902 /nfs/dbraw/zinc/96/39/02/584963902.db2.gz AAELLINOMHOPCM-UHFFFAOYSA-N 0 1 233.336 3.290 20 0 BGADMN Cc1cc(CN2CCC[C@@H]2C)cnc1Cl ZINC000769389814 585555420 /nfs/dbraw/zinc/55/54/20/585555420.db2.gz PVWFQOMWEVOEMA-JTQLQIEISA-N 0 1 224.735 3.028 20 0 BGADMN Cc1cc(CN2CCC[C@H]2C)cnc1Cl ZINC000769389816 585555414 /nfs/dbraw/zinc/55/54/14/585555414.db2.gz PVWFQOMWEVOEMA-SNVBAGLBSA-N 0 1 224.735 3.028 20 0 BGADMN c1oc(C2CC2)nc1CN1CCC2(CCCC2)C1 ZINC000769394044 585555390 /nfs/dbraw/zinc/55/53/90/585555390.db2.gz HWWPGNYPEJYEJJ-UHFFFAOYSA-N 0 1 246.354 3.318 20 0 BGADMN Cc1cc(CN2CCC(C)(C)C2)cnc1Cl ZINC000769398928 585555428 /nfs/dbraw/zinc/55/54/28/585555428.db2.gz OCKGCOKCOIYSKV-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN CC(C)C[C@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000769403889 585555536 /nfs/dbraw/zinc/55/55/36/585555536.db2.gz ZEDVSOMMPFDQSY-GFCCVEGCSA-N 0 1 248.370 3.420 20 0 BGADMN CC(C)C[C@@H]1CCN(Cc2coc(C3CC3)n2)C1 ZINC000769403890 585555665 /nfs/dbraw/zinc/55/56/65/585555665.db2.gz ZEDVSOMMPFDQSY-LBPRGKRZSA-N 0 1 248.370 3.420 20 0 BGADMN C[C@@H]1CCCCCN1Cc1coc(C2CC2)n1 ZINC000769404614 585555516 /nfs/dbraw/zinc/55/55/16/585555516.db2.gz MIGGGJOUBAFWCA-LLVKDONJSA-N 0 1 234.343 3.317 20 0 BGADMN C[C@H]1CCCCCN1Cc1coc(C2CC2)n1 ZINC000769404615 585555585 /nfs/dbraw/zinc/55/55/85/585555585.db2.gz MIGGGJOUBAFWCA-NSHDSACASA-N 0 1 234.343 3.317 20 0 BGADMN C[C@@H]1CC[C@@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000769445054 585556743 /nfs/dbraw/zinc/55/67/43/585556743.db2.gz DCCMYEWPIUMLJR-GHMZBOCLSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@@H]1CC[C@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000769445056 585556637 /nfs/dbraw/zinc/55/66/37/585556637.db2.gz DCCMYEWPIUMLJR-MNOVXSKESA-N 0 1 234.343 3.172 20 0 BGADMN C[C@H]1CC[C@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000769445058 585556787 /nfs/dbraw/zinc/55/67/87/585556787.db2.gz DCCMYEWPIUMLJR-QWRGUYRKSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@@H]1CC[C@H](C)CN1Cc1coc(C2CC2)n1 ZINC000769445060 585556706 /nfs/dbraw/zinc/55/67/06/585556706.db2.gz DCCMYEWPIUMLJR-WDEREUQCSA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@H]1C[C@H](C)CN1Cc1coc(C2CC2)n1 ZINC000769448390 585556748 /nfs/dbraw/zinc/55/67/48/585556748.db2.gz NPSGGOZFWIHFGU-GWCFXTLKSA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@@H]1C[C@H](C)CN1Cc1coc(C2CC2)n1 ZINC000769448391 585556550 /nfs/dbraw/zinc/55/65/50/585556550.db2.gz NPSGGOZFWIHFGU-GXFFZTMASA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@H]1C[C@@H](C)CN1Cc1coc(C2CC2)n1 ZINC000769448392 585556934 /nfs/dbraw/zinc/55/69/34/585556934.db2.gz NPSGGOZFWIHFGU-MFKMUULPSA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@@H]1C[C@@H](C)CN1Cc1coc(C2CC2)n1 ZINC000769448393 585556865 /nfs/dbraw/zinc/55/68/65/585556865.db2.gz NPSGGOZFWIHFGU-ZWNOBZJWSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@@H]1CCN(Cc2coc(C3CC3)n2)C[C@H]1C ZINC000769450913 585557241 /nfs/dbraw/zinc/55/72/41/585557241.db2.gz JTQZDQTZXFOTHB-GHMZBOCLSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@@H]1CCN(Cc2coc(C3CC3)n2)C[C@@H]1C ZINC000769450916 585557334 /nfs/dbraw/zinc/55/73/34/585557334.db2.gz JTQZDQTZXFOTHB-MNOVXSKESA-N 0 1 234.343 3.030 20 0 BGADMN C[C@H]1CN(Cc2coc(C3CC3)n2)CC[C@@H]1C ZINC000769450918 585557105 /nfs/dbraw/zinc/55/71/05/585557105.db2.gz JTQZDQTZXFOTHB-QWRGUYRKSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@H]1CCN(Cc2coc(C3CC3)n2)C[C@H]1C ZINC000769450924 585557213 /nfs/dbraw/zinc/55/72/13/585557213.db2.gz JTQZDQTZXFOTHB-WDEREUQCSA-N 0 1 234.343 3.030 20 0 BGADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)C(C)(C)C1 ZINC000769451262 585557077 /nfs/dbraw/zinc/55/70/77/585557077.db2.gz KROVQQJIIJDFOW-JTQLQIEISA-N 0 1 234.343 3.172 20 0 BGADMN C[C@H]1CN(Cc2coc(C3CC3)n2)C(C)(C)C1 ZINC000769451268 585557046 /nfs/dbraw/zinc/55/70/46/585557046.db2.gz KROVQQJIIJDFOW-SNVBAGLBSA-N 0 1 234.343 3.172 20 0 BGADMN CC(C)N(Cc1coc(C2CC2)n1)C1CCC1 ZINC000769471229 585557679 /nfs/dbraw/zinc/55/76/79/585557679.db2.gz RMQAUIJNVOGYPI-UHFFFAOYSA-N 0 1 234.343 3.315 20 0 BGADMN C[C@@H]1Cc2ccccc2CN1Cc1ccoc1 ZINC000769484600 585558186 /nfs/dbraw/zinc/55/81/86/585558186.db2.gz XIXDNWHRUNVIMZ-GFCCVEGCSA-N 0 1 227.307 3.226 20 0 BGADMN C[C@H]1Cc2ccccc2CN1Cc1ccoc1 ZINC000769484602 585558266 /nfs/dbraw/zinc/55/82/66/585558266.db2.gz XIXDNWHRUNVIMZ-LBPRGKRZSA-N 0 1 227.307 3.226 20 0 BGADMN c1oc(C2CC2)nc1CN1C2CCCC1CCC2 ZINC000769498212 585558312 /nfs/dbraw/zinc/55/83/12/585558312.db2.gz IKJKRYQOYDBYLS-UHFFFAOYSA-N 0 1 246.354 3.459 20 0 BGADMN Cc1cc(CN(C)CCOC(C)(C)C)c(C)o1 ZINC000769517448 584967492 /nfs/dbraw/zinc/96/74/92/584967492.db2.gz VTPQDYHVOAYIFM-UHFFFAOYSA-N 0 1 239.359 3.143 20 0 BGADMN CC[C@@]1(C)CCN(Cc2coc(C3CC3)n2)C1 ZINC000769519235 585558697 /nfs/dbraw/zinc/55/86/97/585558697.db2.gz MATOIGXCXGEIMF-AWEZNQCLSA-N 0 1 234.343 3.174 20 0 BGADMN CC[C@]1(C)CCN(Cc2coc(C3CC3)n2)C1 ZINC000769519236 585558675 /nfs/dbraw/zinc/55/86/75/585558675.db2.gz MATOIGXCXGEIMF-CQSZACIVSA-N 0 1 234.343 3.174 20 0 BGADMN CC[C@@H](C)CN(CC)Cc1coc(C2CC2)n1 ZINC000769537491 585558954 /nfs/dbraw/zinc/55/89/54/585558954.db2.gz LBHRRECQSYLLGK-LLVKDONJSA-N 0 1 236.359 3.420 20 0 BGADMN CC[C@H](C)CN(CC)Cc1coc(C2CC2)n1 ZINC000769537494 585558928 /nfs/dbraw/zinc/55/89/28/585558928.db2.gz LBHRRECQSYLLGK-NSHDSACASA-N 0 1 236.359 3.420 20 0 BGADMN C[C@@H]1CN(Cc2ccoc2)[C@H]1c1ccccc1 ZINC000769542006 585559142 /nfs/dbraw/zinc/55/91/42/585559142.db2.gz YHECUCJUCBGWLG-IUODEOHRSA-N 0 1 227.307 3.473 20 0 BGADMN C[C@H]1CN(Cc2ccoc2)[C@H]1c1ccccc1 ZINC000769542009 585558995 /nfs/dbraw/zinc/55/89/95/585558995.db2.gz YHECUCJUCBGWLG-SWLSCSKDSA-N 0 1 227.307 3.473 20 0 BGADMN Cc1cc(C)cc(CN(C)C/C=C\Cl)c1 ZINC000769847348 585565334 /nfs/dbraw/zinc/56/53/34/585565334.db2.gz QOGTXUJZCRJSKD-PLNGDYQASA-N 0 1 223.747 3.488 20 0 BGADMN Cc1cc(C)cc(CN(C)C/C=C/Cl)c1 ZINC000769847349 585565206 /nfs/dbraw/zinc/56/52/06/585565206.db2.gz QOGTXUJZCRJSKD-SNAWJCMRSA-N 0 1 223.747 3.488 20 0 BGADMN CCc1noc(C)c1[C@@H](C)NCc1ccccc1 ZINC000769859740 585565670 /nfs/dbraw/zinc/56/56/70/585565670.db2.gz HEBAMZSSMJUVSN-LLVKDONJSA-N 0 1 244.338 3.396 20 0 BGADMN CCc1noc(C)c1[C@H](C)NCc1ccccc1 ZINC000769859742 585565414 /nfs/dbraw/zinc/56/54/14/585565414.db2.gz HEBAMZSSMJUVSN-NSHDSACASA-N 0 1 244.338 3.396 20 0 BGADMN FC(F)(F)C[C@@H]1CCN(C/C=C\Cl)C1 ZINC000769862471 585565631 /nfs/dbraw/zinc/56/56/31/585565631.db2.gz AYATWSNIBPDWLD-CJKINAQCSA-N 0 1 227.657 3.013 20 0 BGADMN FC(F)(F)C[C@@H]1CCN(C/C=C/Cl)C1 ZINC000769862472 585565426 /nfs/dbraw/zinc/56/54/26/585565426.db2.gz AYATWSNIBPDWLD-LKVYWMSASA-N 0 1 227.657 3.013 20 0 BGADMN FC(F)(F)C[C@H]1CCN(C/C=C\Cl)C1 ZINC000769862474 585565442 /nfs/dbraw/zinc/56/54/42/585565442.db2.gz AYATWSNIBPDWLD-XKKRXVNHSA-N 0 1 227.657 3.013 20 0 BGADMN FC(F)(F)C[C@H]1CCN(C/C=C/Cl)C1 ZINC000769862475 585565714 /nfs/dbraw/zinc/56/57/14/585565714.db2.gz AYATWSNIBPDWLD-YUQHSTNDSA-N 0 1 227.657 3.013 20 0 BGADMN CC(=O)CCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769952465 585567354 /nfs/dbraw/zinc/56/73/54/585567354.db2.gz GJBPKCKWDHJYIO-CMPLNLGQSA-N 0 1 249.329 3.112 20 0 BGADMN CC(=O)CCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769952467 585567117 /nfs/dbraw/zinc/56/71/17/585567117.db2.gz GJBPKCKWDHJYIO-JQWIXIFHSA-N 0 1 249.329 3.112 20 0 BGADMN CC(=O)CCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769952468 585567295 /nfs/dbraw/zinc/56/72/95/585567295.db2.gz GJBPKCKWDHJYIO-PWSUYJOCSA-N 0 1 249.329 3.112 20 0 BGADMN CC(=O)CCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769952470 585567133 /nfs/dbraw/zinc/56/71/33/585567133.db2.gz GJBPKCKWDHJYIO-ZYHUDNBSSA-N 0 1 249.329 3.112 20 0 BGADMN C(c1noc2c1CCCC2)N1CCCC12CCC2 ZINC000769984108 585568688 /nfs/dbraw/zinc/56/86/88/585568688.db2.gz KZQVBDJUVIZFEE-UHFFFAOYSA-N 0 1 246.354 3.072 20 0 BGADMN CC(C)c1cnc(CN2CCCC23CCC3)o1 ZINC000770004490 585569065 /nfs/dbraw/zinc/56/90/65/585569065.db2.gz WKXZMKLKESXAHK-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN CC(C)=C(C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770257750 585572122 /nfs/dbraw/zinc/57/21/22/585572122.db2.gz KTUYUZKKTHKXID-UHFFFAOYSA-N 0 1 243.310 3.166 20 0 BGADMN CCC/C=C/C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770259923 585572265 /nfs/dbraw/zinc/57/22/65/585572265.db2.gz VSEIVYMUIXIARJ-AATRIKPKSA-N 0 1 243.310 3.166 20 0 BGADMN CCC/C=C\C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770259924 585572181 /nfs/dbraw/zinc/57/21/81/585572181.db2.gz VSEIVYMUIXIARJ-WAYWQWQTSA-N 0 1 243.310 3.166 20 0 BGADMN C[C@H](N(C)Cc1coc(C2CC2)n1)C1(C)CC1 ZINC000770289375 585572680 /nfs/dbraw/zinc/57/26/80/585572680.db2.gz RXAWPEYRCVJEHP-JTQLQIEISA-N 0 1 234.343 3.172 20 0 BGADMN C[C@@H](N(C)Cc1coc(C2CC2)n1)C1(C)CC1 ZINC000770289379 585572683 /nfs/dbraw/zinc/57/26/83/585572683.db2.gz RXAWPEYRCVJEHP-SNVBAGLBSA-N 0 1 234.343 3.172 20 0 BGADMN CCn1nccc1CN1CCC(CC(C)C)CC1 ZINC000770356623 585573114 /nfs/dbraw/zinc/57/31/14/585573114.db2.gz ZSWJJEMOKUTTHP-UHFFFAOYSA-N 0 1 249.402 3.161 20 0 BGADMN CC(C)(C)C1=CCN(Cc2ccoc2)CC1 ZINC000770385465 585573392 /nfs/dbraw/zinc/57/33/92/585573392.db2.gz QBAJFVVBKOTNKO-UHFFFAOYSA-N 0 1 219.328 3.458 20 0 BGADMN Cc1cc(CN2CCCCC2)cnc1Cl ZINC000770394972 585573801 /nfs/dbraw/zinc/57/38/01/585573801.db2.gz OEKYEKIKHJDTBT-UHFFFAOYSA-N 0 1 224.735 3.029 20 0 BGADMN Cc1nc2cc(NCc3ccoc3)ccc2n1C ZINC000770593832 585577183 /nfs/dbraw/zinc/57/71/83/585577183.db2.gz TVIKGSHITWYFLJ-UHFFFAOYSA-N 0 1 241.294 3.087 20 0 BGADMN CN(C)Cc1ccc(NCc2ccco2)cc1F ZINC000770600473 585577092 /nfs/dbraw/zinc/57/70/92/585577092.db2.gz HLOMSACWLNJEIH-UHFFFAOYSA-N 0 1 248.301 3.092 20 0 BGADMN CN(C)Cc1ccc(NCc2ccoc2)cc1F ZINC000770603282 585577404 /nfs/dbraw/zinc/57/74/04/585577404.db2.gz WVSCEQFRJGPOGI-UHFFFAOYSA-N 0 1 248.301 3.092 20 0 BGADMN Cc1cc(CN[C@H](C)c2cnccc2C)c(C)o1 ZINC000770748499 585581150 /nfs/dbraw/zinc/58/11/50/585581150.db2.gz GOQODNQPBNKVGY-GFCCVEGCSA-N 0 1 244.338 3.451 20 0 BGADMN Cc1cc(CN[C@@H](C)c2cnccc2C)c(C)o1 ZINC000770748502 585581135 /nfs/dbraw/zinc/58/11/35/585581135.db2.gz GOQODNQPBNKVGY-LBPRGKRZSA-N 0 1 244.338 3.451 20 0 BGADMN CC(C)=CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000771509076 585595648 /nfs/dbraw/zinc/59/56/48/585595648.db2.gz GGTAZFCEGDHEAG-UHFFFAOYSA-N 0 1 243.665 3.089 20 0 BGADMN C/C=C(/C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771510222 585595537 /nfs/dbraw/zinc/59/55/37/585595537.db2.gz HQFZQBXBUYOGHU-UTCJRWHESA-N 0 1 243.665 3.089 20 0 BGADMN C/C=C(\C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771510223 585595462 /nfs/dbraw/zinc/59/54/62/585595462.db2.gz HQFZQBXBUYOGHU-ZZXKWVIFSA-N 0 1 243.665 3.089 20 0 BGADMN CCCN(CCC(C)=O)Cc1ccccc1F ZINC000771817858 585601371 /nfs/dbraw/zinc/60/13/71/585601371.db2.gz CHTSQPMNOUIXPQ-UHFFFAOYSA-N 0 1 237.318 3.017 20 0 BGADMN CC[C@@H](C)CNc1ccc(CN(C)C)c(F)c1 ZINC000771854737 585602749 /nfs/dbraw/zinc/60/27/49/585602749.db2.gz DKSQFTBVCHEZSZ-LLVKDONJSA-N 0 1 238.350 3.345 20 0 BGADMN CC[C@H](C)CNc1ccc(CN(C)C)c(F)c1 ZINC000771854738 585602840 /nfs/dbraw/zinc/60/28/40/585602840.db2.gz DKSQFTBVCHEZSZ-NSHDSACASA-N 0 1 238.350 3.345 20 0 BGADMN CCCN(Cc1coc(C2CC2)n1)CC1CC1 ZINC000771924273 585604766 /nfs/dbraw/zinc/60/47/66/585604766.db2.gz HVZFPMSNACXXEX-UHFFFAOYSA-N 0 1 234.343 3.174 20 0 BGADMN c1cc(CN2CC[C@H]2c2ccccc2)co1 ZINC000771939306 585605000 /nfs/dbraw/zinc/60/50/00/585605000.db2.gz PUUPVHYKJFOEEA-AWEZNQCLSA-N 0 1 213.280 3.227 20 0 BGADMN c1cc(CN2CC[C@@H]2c2ccccc2)co1 ZINC000771939308 585604854 /nfs/dbraw/zinc/60/48/54/585604854.db2.gz PUUPVHYKJFOEEA-CQSZACIVSA-N 0 1 213.280 3.227 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cccc(F)n2)cc1 ZINC000773091438 585631243 /nfs/dbraw/zinc/63/12/43/585631243.db2.gz XLJDKOBQYBBFLU-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1ccc([C@H](C)NCc2cccc(F)n2)cc1 ZINC000773091442 585631127 /nfs/dbraw/zinc/63/11/27/585631127.db2.gz XLJDKOBQYBBFLU-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773114059 585631635 /nfs/dbraw/zinc/63/16/35/585631635.db2.gz CPHJFGKVDNJESQ-NEPJUHHUSA-N 0 1 244.338 3.435 20 0 BGADMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773114060 585021334 /nfs/dbraw/zinc/02/13/34/585021334.db2.gz CPHJFGKVDNJESQ-NWDGAFQWSA-N 0 1 244.338 3.435 20 0 BGADMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773114061 585021385 /nfs/dbraw/zinc/02/13/85/585021385.db2.gz CPHJFGKVDNJESQ-RYUDHWBXSA-N 0 1 244.338 3.435 20 0 BGADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773114062 585021312 /nfs/dbraw/zinc/02/13/12/585021312.db2.gz CPHJFGKVDNJESQ-VXGBXAGGSA-N 0 1 244.338 3.435 20 0 BGADMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cn1 ZINC000773118710 585631726 /nfs/dbraw/zinc/63/17/26/585631726.db2.gz PUVJPTQEEVCUSO-NEPJUHHUSA-N 0 1 246.358 3.204 20 0 BGADMN CC(C)n1cc([C@H](C)N[C@H](C)c2ccc[nH]2)cn1 ZINC000773118712 585631734 /nfs/dbraw/zinc/63/17/34/585631734.db2.gz PUVJPTQEEVCUSO-NWDGAFQWSA-N 0 1 246.358 3.204 20 0 BGADMN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc[nH]2)cn1 ZINC000773118714 585631629 /nfs/dbraw/zinc/63/16/29/585631629.db2.gz PUVJPTQEEVCUSO-RYUDHWBXSA-N 0 1 246.358 3.204 20 0 BGADMN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc[nH]2)cn1 ZINC000773118717 585631757 /nfs/dbraw/zinc/63/17/57/585631757.db2.gz PUVJPTQEEVCUSO-VXGBXAGGSA-N 0 1 246.358 3.204 20 0 BGADMN Cc1cccc(C)c1CNCc1cccc(F)n1 ZINC000773405451 585636143 /nfs/dbraw/zinc/63/61/43/585636143.db2.gz MGQQKFSARWXYPA-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN CCc1cnccc1[C@@H](C)NCc1ccoc1 ZINC000773428695 585636681 /nfs/dbraw/zinc/63/66/81/585636681.db2.gz QTEZULMEXVCGNU-LLVKDONJSA-N 0 1 230.311 3.088 20 0 BGADMN CCc1cnccc1[C@H](C)NCc1ccoc1 ZINC000773428697 585636717 /nfs/dbraw/zinc/63/67/17/585636717.db2.gz QTEZULMEXVCGNU-NSHDSACASA-N 0 1 230.311 3.088 20 0 BGADMN CC(C)CC1(C(=O)NOc2ccccc2)CCC1 ZINC000773465609 644692871 /nfs/dbraw/zinc/69/28/71/644692871.db2.gz HDZCBRKRSNRFQA-UHFFFAOYSA-N 0 1 247.338 3.313 20 0 BGADMN CCC1(C(=O)NOc2ccccc2)CCCC1 ZINC000773471231 585637460 /nfs/dbraw/zinc/63/74/60/585637460.db2.gz YUSVXNAAZGZMJF-UHFFFAOYSA-N 0 1 233.311 3.067 20 0 BGADMN CCc1cc(CN[C@@H](C)c2cc(C)oc2C)[nH]n1 ZINC000774190934 585027663 /nfs/dbraw/zinc/02/76/63/585027663.db2.gz OAJNHJWYBCHQSV-JTQLQIEISA-N 0 1 247.342 3.033 20 0 BGADMN CCc1cc(CN[C@H](C)c2cc(C)oc2C)[nH]n1 ZINC000774190935 585027676 /nfs/dbraw/zinc/02/76/76/585027676.db2.gz OAJNHJWYBCHQSV-SNVBAGLBSA-N 0 1 247.342 3.033 20 0 BGADMN COCc1ccc(N[C@@H](C)c2cn[nH]c2C)cc1 ZINC000774483001 585660295 /nfs/dbraw/zinc/66/02/95/585660295.db2.gz FRZLMRHQPRJPPM-JTQLQIEISA-N 0 1 245.326 3.038 20 0 BGADMN COCc1ccc(N[C@H](C)c2cn[nH]c2C)cc1 ZINC000774483002 585660272 /nfs/dbraw/zinc/66/02/72/585660272.db2.gz FRZLMRHQPRJPPM-SNVBAGLBSA-N 0 1 245.326 3.038 20 0 BGADMN CCCC(N)=NOCCCCc1ccccc1 ZINC000774763593 585665503 /nfs/dbraw/zinc/66/55/03/585665503.db2.gz ZWGWWFWNEHTPDA-UHFFFAOYSA-N 0 1 234.343 3.308 20 0 BGADMN Cc1cc(OC/C(Cl)=C\Cl)cc(C)n1 ZINC000774776352 585665729 /nfs/dbraw/zinc/66/57/29/585665729.db2.gz CJLDQDXQJUHMRE-WEVVVXLNSA-N 0 1 232.110 3.396 20 0 BGADMN Cc1cc(C)c(CON=C(N)C(C)C)c(C)c1 ZINC000774776638 585666019 /nfs/dbraw/zinc/66/60/19/585666019.db2.gz CIIKIABAXXDWOQ-UHFFFAOYSA-N 0 1 234.343 3.266 20 0 BGADMN CC(C)C(N)=NOCCCCc1ccccc1 ZINC000774778204 585666007 /nfs/dbraw/zinc/66/60/07/585666007.db2.gz IQICLJXVQKKGRM-UHFFFAOYSA-N 0 1 234.343 3.164 20 0 BGADMN CC(C)C(N)=NOCc1cccc2ccccc21 ZINC000774778540 585665949 /nfs/dbraw/zinc/66/59/49/585665949.db2.gz XOPWZXZNNNPTFR-UHFFFAOYSA-N 0 1 242.322 3.494 20 0 BGADMN Cc1cc(Cl)ccc1CON=C(N)C(C)C ZINC000774779519 585036053 /nfs/dbraw/zinc/03/60/53/585036053.db2.gz TZIDTXSLNMOQQJ-UHFFFAOYSA-N 0 1 240.734 3.303 20 0 BGADMN CC(C)C(N)=NOCc1ccc2ccccc2c1 ZINC000774782873 585665982 /nfs/dbraw/zinc/66/59/82/585665982.db2.gz DAKOBCRNUADLAO-UHFFFAOYSA-N 0 1 242.322 3.494 20 0 BGADMN Cc1cccc(CCCON=C(N)C(C)C)c1 ZINC000774782881 585665857 /nfs/dbraw/zinc/66/58/57/585665857.db2.gz DMXPIPKHMSHGMO-UHFFFAOYSA-N 0 1 234.343 3.082 20 0 BGADMN CC(C)C(N)=NOCc1cccc(F)c1Cl ZINC000774782987 585665846 /nfs/dbraw/zinc/66/58/46/585665846.db2.gz IGONDOTZACVBLI-UHFFFAOYSA-N 0 1 244.697 3.134 20 0 BGADMN Cc1ccc(CCCON=C(N)C(C)C)cc1 ZINC000774782993 585665946 /nfs/dbraw/zinc/66/59/46/585665946.db2.gz IRGSGSBEXHLWNO-UHFFFAOYSA-N 0 1 234.343 3.082 20 0 BGADMN CC(C)C(N)=NOCc1ccc(Cl)s1 ZINC000774783244 585665872 /nfs/dbraw/zinc/66/58/72/585665872.db2.gz OSQHXLXYBWAJKJ-UHFFFAOYSA-N 0 1 232.736 3.056 20 0 BGADMN CC(C)C(N)=NOCc1cc2ccccc2o1 ZINC000774783454 585665980 /nfs/dbraw/zinc/66/59/80/585665980.db2.gz UURJPENIBNTVTD-UHFFFAOYSA-N 0 1 232.283 3.087 20 0 BGADMN CC(C)C(N)=NOCC1CCCCCC1 ZINC000774783543 585665926 /nfs/dbraw/zinc/66/59/26/585665926.db2.gz XOMGFQSRDXUGCQ-UHFFFAOYSA-N 0 1 212.337 3.111 20 0 BGADMN CSc1ccc(CON=C(N)C(C)C)cc1 ZINC000774791431 585666198 /nfs/dbraw/zinc/66/61/98/585666198.db2.gz MUPMSOGDUSYWQO-UHFFFAOYSA-N 0 1 238.356 3.063 20 0 BGADMN CCC(N)=NOCc1cccc(Cl)c1Cl ZINC000774814522 585666709 /nfs/dbraw/zinc/66/67/09/585666709.db2.gz LVMQPPDYKLWUAV-UHFFFAOYSA-N 0 1 247.125 3.402 20 0 BGADMN CCC(N)=NOCc1ccc(C)cc1Cl ZINC000774814975 585666531 /nfs/dbraw/zinc/66/65/31/585666531.db2.gz PFYAYTFNHLDDOM-UHFFFAOYSA-N 0 1 226.707 3.057 20 0 BGADMN Cc1ccc(CON=C(N)C(C)C)c(Cl)c1 ZINC000774835265 585666810 /nfs/dbraw/zinc/66/68/10/585666810.db2.gz ZKIRREZPDPVUHE-UHFFFAOYSA-N 0 1 240.734 3.303 20 0 BGADMN Cc1ccc(CN(C[C@@H]2CCC=CO2)C2CC2)o1 ZINC000774836618 585666803 /nfs/dbraw/zinc/66/68/03/585666803.db2.gz KYBPYRDWOYHNRR-AWEZNQCLSA-N 0 1 247.338 3.245 20 0 BGADMN Cc1ccc(CN(C[C@H]2CCC=CO2)C2CC2)o1 ZINC000774836621 585666719 /nfs/dbraw/zinc/66/67/19/585666719.db2.gz KYBPYRDWOYHNRR-CQSZACIVSA-N 0 1 247.338 3.245 20 0 BGADMN Fc1cccc([C@@H]2CCN2C[C@H]2CCC=CO2)c1 ZINC000774902739 585668969 /nfs/dbraw/zinc/66/89/69/585668969.db2.gz FZADMJRNSSPING-CABCVRRESA-N 0 1 247.313 3.265 20 0 BGADMN Fc1cccc([C@@H]2CCN2C[C@@H]2CCC=CO2)c1 ZINC000774902763 585669050 /nfs/dbraw/zinc/66/90/50/585669050.db2.gz FZADMJRNSSPING-GJZGRUSLSA-N 0 1 247.313 3.265 20 0 BGADMN Fc1cccc([C@H]2CCN2C[C@H]2CCC=CO2)c1 ZINC000774902768 585669136 /nfs/dbraw/zinc/66/91/36/585669136.db2.gz FZADMJRNSSPING-HUUCEWRRSA-N 0 1 247.313 3.265 20 0 BGADMN Fc1cccc([C@H]2CCN2C[C@@H]2CCC=CO2)c1 ZINC000774902773 585668835 /nfs/dbraw/zinc/66/88/35/585668835.db2.gz FZADMJRNSSPING-LSDHHAIUSA-N 0 1 247.313 3.265 20 0 BGADMN Cc1ccc(F)c(CN(C)C[C@@H]2CCC=CO2)c1 ZINC000775169462 644701613 /nfs/dbraw/zinc/70/16/13/644701613.db2.gz XMXUJDGIDAGVOG-AWEZNQCLSA-N 0 1 249.329 3.259 20 0 BGADMN Cc1ccc(F)c(CN(C)C[C@H]2CCC=CO2)c1 ZINC000775169464 644700963 /nfs/dbraw/zinc/70/09/63/644700963.db2.gz XMXUJDGIDAGVOG-CQSZACIVSA-N 0 1 249.329 3.259 20 0 BGADMN c1oc(C2CC2)nc1CN1CCCC12CCC2 ZINC000775184805 585672744 /nfs/dbraw/zinc/67/27/44/585672744.db2.gz RJZBGIWWGFITOL-UHFFFAOYSA-N 0 1 232.327 3.071 20 0 BGADMN CC[C@](C)(NCc1ccno1)c1ccccc1 ZINC000775385948 585676985 /nfs/dbraw/zinc/67/69/85/585676985.db2.gz CFSUVQPWVDWZRX-AWEZNQCLSA-N 0 1 230.311 3.090 20 0 BGADMN CC[C@@](C)(NCc1ccno1)c1ccccc1 ZINC000775385949 585677061 /nfs/dbraw/zinc/67/70/61/585677061.db2.gz CFSUVQPWVDWZRX-CQSZACIVSA-N 0 1 230.311 3.090 20 0 BGADMN CC[C@](C)(NCc1cc(C)no1)c1ccccc1 ZINC000775386722 585677118 /nfs/dbraw/zinc/67/71/18/585677118.db2.gz GJWQYAAPGOEGOL-HNNXBMFYSA-N 0 1 244.338 3.398 20 0 BGADMN CC[C@@](C)(NCc1cc(C)no1)c1ccccc1 ZINC000775386724 585677180 /nfs/dbraw/zinc/67/71/80/585677180.db2.gz GJWQYAAPGOEGOL-OAHLLOKOSA-N 0 1 244.338 3.398 20 0 BGADMN C[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1ccc[nH]1 ZINC000775527004 585679026 /nfs/dbraw/zinc/67/90/26/585679026.db2.gz VFPWMSKWUIZZHV-NXEZZACHSA-N 0 1 249.745 3.475 20 0 BGADMN C[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc[nH]1 ZINC000775527005 585678899 /nfs/dbraw/zinc/67/88/99/585678899.db2.gz VFPWMSKWUIZZHV-UWVGGRQHSA-N 0 1 249.745 3.475 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)cn1 ZINC000775527006 585679045 /nfs/dbraw/zinc/67/90/45/585679045.db2.gz VFPWMSKWUIZZHV-VHSXEESVSA-N 0 1 249.745 3.475 20 0 BGADMN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc[nH]1 ZINC000775527007 585678950 /nfs/dbraw/zinc/67/89/50/585678950.db2.gz VFPWMSKWUIZZHV-ZJUUUORDSA-N 0 1 249.745 3.475 20 0 BGADMN CC(C)c1cnc(CN2CCCC[C@@H](C)C2)o1 ZINC000775732236 585683708 /nfs/dbraw/zinc/68/37/08/585683708.db2.gz QKZZHQUQCPJRIB-GFCCVEGCSA-N 0 1 236.359 3.420 20 0 BGADMN CC(C)c1cnc(CN2CCCC[C@H](C)C2)o1 ZINC000775732238 585683868 /nfs/dbraw/zinc/68/38/68/585683868.db2.gz QKZZHQUQCPJRIB-LBPRGKRZSA-N 0 1 236.359 3.420 20 0 BGADMN Cc1cc(CN2CC[C@@H]2C(C)C)cnc1Cl ZINC000775764055 585684074 /nfs/dbraw/zinc/68/40/74/585684074.db2.gz HYIOZWDKNDLIRG-GFCCVEGCSA-N 0 1 238.762 3.274 20 0 BGADMN Cc1cc(CN2CC[C@H]2C(C)C)cnc1Cl ZINC000775764063 585684292 /nfs/dbraw/zinc/68/42/92/585684292.db2.gz HYIOZWDKNDLIRG-LBPRGKRZSA-N 0 1 238.762 3.274 20 0 BGADMN CC[C@H]1[C@H](C)CCN1Cc1ncc(C(C)C)o1 ZINC000775783902 585684432 /nfs/dbraw/zinc/68/44/32/585684432.db2.gz XWFGXXAAHOYGCT-NEPJUHHUSA-N 0 1 236.359 3.418 20 0 BGADMN CC[C@@H]1[C@@H](C)CCN1Cc1ncc(C(C)C)o1 ZINC000775783904 585684578 /nfs/dbraw/zinc/68/45/78/585684578.db2.gz XWFGXXAAHOYGCT-NWDGAFQWSA-N 0 1 236.359 3.418 20 0 BGADMN CC[C@H]1[C@@H](C)CCN1Cc1ncc(C(C)C)o1 ZINC000775783905 585684358 /nfs/dbraw/zinc/68/43/58/585684358.db2.gz XWFGXXAAHOYGCT-RYUDHWBXSA-N 0 1 236.359 3.418 20 0 BGADMN CC[C@@H]1[C@H](C)CCN1Cc1ncc(C(C)C)o1 ZINC000775783907 585684546 /nfs/dbraw/zinc/68/45/46/585684546.db2.gz XWFGXXAAHOYGCT-VXGBXAGGSA-N 0 1 236.359 3.418 20 0 BGADMN FCCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000775823293 585685770 /nfs/dbraw/zinc/68/57/70/585685770.db2.gz FKCXMOHAMJEIIA-UHFFFAOYSA-N 0 1 241.737 3.489 20 0 BGADMN C[C@@H]1CCN(C2CC(OC(C)(C)C)C2)C[C@H]1F ZINC000775969067 585688546 /nfs/dbraw/zinc/68/85/46/585688546.db2.gz PMHBWPKPKDEMPP-IKWCTNDRSA-N 0 1 243.366 3.012 20 0 BGADMN C[C@H]1CCN(C2CC(OC(C)(C)C)C2)C[C@@H]1F ZINC000775969073 585688439 /nfs/dbraw/zinc/68/84/39/585688439.db2.gz PMHBWPKPKDEMPP-WTIISPKJSA-N 0 1 243.366 3.012 20 0 BGADMN C[C@@H]1CCN(C2CC(OC(C)(C)C)C2)C[C@@H]1F ZINC000775969075 585688166 /nfs/dbraw/zinc/68/81/66/585688166.db2.gz PMHBWPKPKDEMPP-XVSSEFHLSA-N 0 1 243.366 3.012 20 0 BGADMN C[C@H]1CCN(C2CC(OC(C)(C)C)C2)C[C@H]1F ZINC000775969077 585688127 /nfs/dbraw/zinc/68/81/27/585688127.db2.gz PMHBWPKPKDEMPP-YWPUVAFDSA-N 0 1 243.366 3.012 20 0 BGADMN C[C@@H]1CCCCN(Cc2coc(C3CC3)n2)C1 ZINC000775996197 585689193 /nfs/dbraw/zinc/68/91/93/585689193.db2.gz KYYJEBSMJHJFMN-LLVKDONJSA-N 0 1 234.343 3.174 20 0 BGADMN C[C@H]1CCCCN(Cc2coc(C3CC3)n2)C1 ZINC000775996198 585689129 /nfs/dbraw/zinc/68/91/29/585689129.db2.gz KYYJEBSMJHJFMN-NSHDSACASA-N 0 1 234.343 3.174 20 0 BGADMN CC[C@H]1[C@@H](C)CCN1Cc1coc(C2CC2)n1 ZINC000776001093 585689138 /nfs/dbraw/zinc/68/91/38/585689138.db2.gz OCCSWIHBWUAACK-GWCFXTLKSA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@@H]1[C@@H](C)CCN1Cc1coc(C2CC2)n1 ZINC000776001094 585689401 /nfs/dbraw/zinc/68/94/01/585689401.db2.gz OCCSWIHBWUAACK-GXFFZTMASA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@H]1[C@H](C)CCN1Cc1coc(C2CC2)n1 ZINC000776001095 585689286 /nfs/dbraw/zinc/68/92/86/585689286.db2.gz OCCSWIHBWUAACK-MFKMUULPSA-N 0 1 234.343 3.172 20 0 BGADMN CC[C@@H]1[C@H](C)CCN1Cc1coc(C2CC2)n1 ZINC000776001096 585689166 /nfs/dbraw/zinc/68/91/66/585689166.db2.gz OCCSWIHBWUAACK-ZWNOBZJWSA-N 0 1 234.343 3.172 20 0 BGADMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccoc1 ZINC000776015623 585689123 /nfs/dbraw/zinc/68/91/23/585689123.db2.gz VPXIAXGJQVJEJU-GXSJLCMTSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccoc1 ZINC000776015624 585689254 /nfs/dbraw/zinc/68/92/54/585689254.db2.gz VPXIAXGJQVJEJU-KOLCDFICSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccoc1 ZINC000776015625 585689378 /nfs/dbraw/zinc/68/93/78/585689378.db2.gz VPXIAXGJQVJEJU-MWLCHTKSSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccoc1 ZINC000776015626 585689373 /nfs/dbraw/zinc/68/93/73/585689373.db2.gz VPXIAXGJQVJEJU-ONGXEEELSA-N 0 1 247.260 3.442 20 0 BGADMN CN(Cc1cnc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000776100602 585690068 /nfs/dbraw/zinc/69/00/68/585690068.db2.gz SHHSGCIFILIYQY-UHFFFAOYSA-N 0 1 243.354 3.344 20 0 BGADMN CC(C)c1cccc(N(C)Cc2cnc[nH]2)c1 ZINC000776100666 585690177 /nfs/dbraw/zinc/69/01/77/585690177.db2.gz UPJXQPRSOUJHED-UHFFFAOYSA-N 0 1 229.327 3.170 20 0 BGADMN CCN(Cc1nc2c(s1)CCCC2)C(C)C ZINC000776342559 585696037 /nfs/dbraw/zinc/69/60/37/585696037.db2.gz JKJREJSNNXMODB-UHFFFAOYSA-N 0 1 238.400 3.252 20 0 BGADMN Cc1cc(C)c2c(c1)CN(C/C=C/Cl)CC2 ZINC000776855340 585706127 /nfs/dbraw/zinc/70/61/27/585706127.db2.gz HJHRZELYURNLEJ-HWKANZROSA-N 0 1 235.758 3.414 20 0 BGADMN Cc1cc(C)c2c(c1)CN(C/C=C\Cl)CC2 ZINC000776855341 585706349 /nfs/dbraw/zinc/70/63/49/585706349.db2.gz HJHRZELYURNLEJ-HYXAFXHYSA-N 0 1 235.758 3.414 20 0 BGADMN Cc1cc(C)c2c(c1)CN(Cc1ccoc1)CC2 ZINC000777219505 585709424 /nfs/dbraw/zinc/70/94/24/585709424.db2.gz KWQPUXIIWLUXTE-UHFFFAOYSA-N 0 1 241.334 3.455 20 0 BGADMN Cc1ccc(N[C@H](C)C2CCC2)c(N(C)C)n1 ZINC000777274050 585709926 /nfs/dbraw/zinc/70/99/26/585709926.db2.gz DRLGSJFRMWKQEK-LLVKDONJSA-N 0 1 233.359 3.057 20 0 BGADMN Cc1ccc(N[C@@H](C)C2CCC2)c(N(C)C)n1 ZINC000777274055 585709975 /nfs/dbraw/zinc/70/99/75/585709975.db2.gz DRLGSJFRMWKQEK-NSHDSACASA-N 0 1 233.359 3.057 20 0 BGADMN CN(Cc1ccco1)Cc1ccc(CF)cc1 ZINC000777535920 585714322 /nfs/dbraw/zinc/71/43/22/585714322.db2.gz WYZFSEWSDOJLJN-UHFFFAOYSA-N 0 1 233.286 3.381 20 0 BGADMN CN(Cc1ccoc1)Cc1ccc(CF)cc1 ZINC000777560823 585715270 /nfs/dbraw/zinc/71/52/70/585715270.db2.gz WWSGNGJIFYPIAF-UHFFFAOYSA-N 0 1 233.286 3.381 20 0 BGADMN C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)CCS1 ZINC000777579321 585715527 /nfs/dbraw/zinc/71/55/27/585715527.db2.gz XZJJWYOJUBPYCX-LLVKDONJSA-N 0 1 239.359 3.093 20 0 BGADMN CC(C)[C@@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777699681 585718413 /nfs/dbraw/zinc/71/84/13/585718413.db2.gz DBNMUIJYNUMATC-LLVKDONJSA-N 0 1 238.350 3.344 20 0 BGADMN CC(C)[C@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC000777699690 585718610 /nfs/dbraw/zinc/71/86/10/585718610.db2.gz DBNMUIJYNUMATC-NSHDSACASA-N 0 1 238.350 3.344 20 0 BGADMN CN(Cc1ccc(CF)cc1)Cc1cccnc1 ZINC000777712034 585718829 /nfs/dbraw/zinc/71/88/29/585718829.db2.gz GVCFKNQXHFEOAM-UHFFFAOYSA-N 0 1 244.313 3.183 20 0 BGADMN CCCC(N)=NOCCCc1cccc(C)c1 ZINC000778028198 585725370 /nfs/dbraw/zinc/72/53/70/585725370.db2.gz MTJXZBMGJFJJSN-UHFFFAOYSA-N 0 1 234.343 3.226 20 0 BGADMN CCSc1cc(CNCc2ccoc2)ccn1 ZINC000778208715 585727651 /nfs/dbraw/zinc/72/76/51/585727651.db2.gz AOTKXZSPWVBVSV-UHFFFAOYSA-N 0 1 248.351 3.076 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(CF)cc2)C[C@H]1F ZINC000778232320 585728450 /nfs/dbraw/zinc/72/84/50/585728450.db2.gz FIZOUWWBPMKBGG-BXUZGUMPSA-N 0 1 239.309 3.336 20 0 BGADMN C[C@H]1CCN(Cc2ccc(CF)cc2)C[C@@H]1F ZINC000778232328 585728593 /nfs/dbraw/zinc/72/85/93/585728593.db2.gz FIZOUWWBPMKBGG-FZMZJTMJSA-N 0 1 239.309 3.336 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(CF)cc2)C[C@@H]1F ZINC000778232330 585728222 /nfs/dbraw/zinc/72/82/22/585728222.db2.gz FIZOUWWBPMKBGG-RISCZKNCSA-N 0 1 239.309 3.336 20 0 BGADMN C[C@H]1CCN(Cc2ccc(CF)cc2)C[C@H]1F ZINC000778232331 585728185 /nfs/dbraw/zinc/72/81/85/585728185.db2.gz FIZOUWWBPMKBGG-SMDDNHRTSA-N 0 1 239.309 3.336 20 0 BGADMN CCCC(N)=NOCCCc1cccc(F)c1 ZINC000778592960 585737877 /nfs/dbraw/zinc/73/78/77/585737877.db2.gz SDDKOPZGMJIGGH-UHFFFAOYSA-N 0 1 238.306 3.057 20 0 BGADMN CC(C)c1cnc(CN(C(C)C)C(C)C)o1 ZINC000778958805 585743225 /nfs/dbraw/zinc/74/32/25/585743225.db2.gz QHPJBKGTHFHMDF-UHFFFAOYSA-N 0 1 224.348 3.417 20 0 BGADMN Cc1n[nH]cc1[C@H](C)NCc1c(C)cccc1F ZINC000779072442 585744701 /nfs/dbraw/zinc/74/47/01/585744701.db2.gz PBFIUMPNLOFHBQ-JTQLQIEISA-N 0 1 247.317 3.016 20 0 BGADMN Cc1n[nH]cc1[C@@H](C)NCc1c(C)cccc1F ZINC000779072445 585744524 /nfs/dbraw/zinc/74/45/24/585744524.db2.gz PBFIUMPNLOFHBQ-SNVBAGLBSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1ccccc1CN(C)Cc1ccc(F)nc1 ZINC000779147796 585745866 /nfs/dbraw/zinc/74/58/66/585745866.db2.gz ATXBKZCNORDUHP-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN Cc1cccc(CN(C)Cc2ccc(F)nc2)c1 ZINC000779153367 585745850 /nfs/dbraw/zinc/74/58/50/585745850.db2.gz BYODFPATVMKVPV-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CCC1(C)CCN(Cc2ccc(F)nc2)CC1 ZINC000779156720 585746020 /nfs/dbraw/zinc/74/60/20/585746020.db2.gz SEUYCWKNKDMXSA-UHFFFAOYSA-N 0 1 236.334 3.233 20 0 BGADMN COc1cccc2cc(CN3CC=CCC3)oc21 ZINC000779159983 585746121 /nfs/dbraw/zinc/74/61/21/585746121.db2.gz STDVGHSOEHTLGD-UHFFFAOYSA-N 0 1 243.306 3.203 20 0 BGADMN C[C@@H]1CCN(Cc2ccc(F)nc2)CC1(C)C ZINC000779169130 585746692 /nfs/dbraw/zinc/74/66/92/585746692.db2.gz MQGRZAUDTXIGPD-LLVKDONJSA-N 0 1 236.334 3.089 20 0 BGADMN C[C@H]1CCN(Cc2ccc(F)nc2)CC1(C)C ZINC000779169132 585746776 /nfs/dbraw/zinc/74/67/76/585746776.db2.gz MQGRZAUDTXIGPD-NSHDSACASA-N 0 1 236.334 3.089 20 0 BGADMN CCC(C)=C(C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000779708180 585759250 /nfs/dbraw/zinc/75/92/50/585759250.db2.gz SVPIKLPBNXDVJD-KTKRTIGZSA-N 0 1 243.310 3.248 20 0 BGADMN CCC(C)=C(C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000779708181 585759287 /nfs/dbraw/zinc/75/92/87/585759287.db2.gz SVPIKLPBNXDVJD-MDZDMXLPSA-N 0 1 243.310 3.248 20 0 BGADMN FC1=CCCN(C[C@H]2CCc3ccccc32)C1 ZINC000780313865 585777670 /nfs/dbraw/zinc/77/76/70/585777670.db2.gz SWKOQQYTWAYLMN-CYBMUJFWSA-N 0 1 231.314 3.276 20 0 BGADMN FC1=CCCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780313866 585777303 /nfs/dbraw/zinc/77/73/03/585777303.db2.gz SWKOQQYTWAYLMN-ZDUSSCGKSA-N 0 1 231.314 3.276 20 0 BGADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1C/C=C/Cl ZINC000780380409 712416565 /nfs/dbraw/zinc/41/65/65/712416565.db2.gz UAMNJCBBTQCUBY-COKDONQUSA-N 0 1 241.684 3.402 20 0 BGADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C/C=C\Cl ZINC000780380410 712416553 /nfs/dbraw/zinc/41/65/53/712416553.db2.gz UAMNJCBBTQCUBY-GSPJQOMYSA-N 0 1 241.684 3.402 20 0 BGADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1C/C=C\Cl ZINC000780380411 712416377 /nfs/dbraw/zinc/41/63/77/712416377.db2.gz UAMNJCBBTQCUBY-LCEQUYJCSA-N 0 1 241.684 3.402 20 0 BGADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C/C=C/Cl ZINC000780380412 712416655 /nfs/dbraw/zinc/41/66/55/712416655.db2.gz UAMNJCBBTQCUBY-YQRQKROXSA-N 0 1 241.684 3.402 20 0 BGADMN FCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000780400509 644730057 /nfs/dbraw/zinc/73/00/57/644730057.db2.gz WXKQEURGTRIBGD-CKXPSTMWSA-N 0 1 219.303 3.134 20 0 BGADMN FCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780400510 644730155 /nfs/dbraw/zinc/73/01/55/644730155.db2.gz WXKQEURGTRIBGD-MYSGNRETSA-N 0 1 219.303 3.134 20 0 BGADMN FCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780400511 644730297 /nfs/dbraw/zinc/73/02/97/644730297.db2.gz WXKQEURGTRIBGD-QIAWRQBBSA-N 0 1 219.303 3.134 20 0 BGADMN FCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000780400512 644730372 /nfs/dbraw/zinc/73/03/72/644730372.db2.gz WXKQEURGTRIBGD-VFNNOXKTSA-N 0 1 219.303 3.134 20 0 BGADMN CCc1cccnc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000780731902 585783977 /nfs/dbraw/zinc/78/39/77/585783977.db2.gz PSHHWBNSZPODJA-NEPJUHHUSA-N 0 1 243.354 3.384 20 0 BGADMN CCc1cccnc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000780731904 585784010 /nfs/dbraw/zinc/78/40/10/585784010.db2.gz PSHHWBNSZPODJA-NWDGAFQWSA-N 0 1 243.354 3.384 20 0 BGADMN CCc1cccnc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000780731906 585783873 /nfs/dbraw/zinc/78/38/73/585783873.db2.gz PSHHWBNSZPODJA-RYUDHWBXSA-N 0 1 243.354 3.384 20 0 BGADMN CCc1cccnc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000780731908 585783822 /nfs/dbraw/zinc/78/38/22/585783822.db2.gz PSHHWBNSZPODJA-VXGBXAGGSA-N 0 1 243.354 3.384 20 0 BGADMN CCCCC[N@@H+](CCCOC)Cc1ccoc1 ZINC000780793605 585784858 /nfs/dbraw/zinc/78/48/58/585784858.db2.gz SNQVKWYSBCCGQT-UHFFFAOYSA-N 0 1 239.359 3.308 20 0 BGADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccoc1 ZINC000780793890 585784963 /nfs/dbraw/zinc/78/49/63/585784963.db2.gz WWPLYJNODUCBEK-GXSJLCMTSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccoc1 ZINC000780793890 585784962 /nfs/dbraw/zinc/78/49/62/585784962.db2.gz WWPLYJNODUCBEK-GXSJLCMTSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccoc1 ZINC000780793891 585784900 /nfs/dbraw/zinc/78/49/00/585784900.db2.gz WWPLYJNODUCBEK-KOLCDFICSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccoc1 ZINC000780793891 585784899 /nfs/dbraw/zinc/78/48/99/585784899.db2.gz WWPLYJNODUCBEK-KOLCDFICSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccoc1 ZINC000780793892 585784907 /nfs/dbraw/zinc/78/49/07/585784907.db2.gz WWPLYJNODUCBEK-MWLCHTKSSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccoc1 ZINC000780793892 585784906 /nfs/dbraw/zinc/78/49/06/585784906.db2.gz WWPLYJNODUCBEK-MWLCHTKSSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccoc1 ZINC000780793893 585784799 /nfs/dbraw/zinc/78/47/99/585784799.db2.gz WWPLYJNODUCBEK-ONGXEEELSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccoc1 ZINC000780793893 585784798 /nfs/dbraw/zinc/78/47/98/585784798.db2.gz WWPLYJNODUCBEK-ONGXEEELSA-N 0 1 247.260 3.442 20 0 BGADMN CC/C(C)=C(/C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000780916617 585786292 /nfs/dbraw/zinc/78/62/92/585786292.db2.gz YOORLVGMIMKKQC-KTKRTIGZSA-N 0 1 243.310 3.248 20 0 BGADMN CC/C(C)=C(\C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000780916618 585786240 /nfs/dbraw/zinc/78/62/40/585786240.db2.gz YOORLVGMIMKKQC-MDZDMXLPSA-N 0 1 243.310 3.248 20 0 BGADMN C[C@H](C1CC1)N1CCc2c(F)ccc(F)c2C1 ZINC000782184337 585810789 /nfs/dbraw/zinc/81/07/89/585810789.db2.gz CVVJAJHUZZZGPY-SECBINFHSA-N 0 1 237.293 3.121 20 0 BGADMN C[C@@H](C1CC1)N1CCc2c(F)ccc(F)c2C1 ZINC000782184341 585810678 /nfs/dbraw/zinc/81/06/78/585810678.db2.gz CVVJAJHUZZZGPY-VIFPVBQESA-N 0 1 237.293 3.121 20 0 BGADMN C[C@H](C1CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000782190007 585811237 /nfs/dbraw/zinc/81/12/37/585811237.db2.gz STMMUABLTIAUQY-LLVKDONJSA-N 0 1 240.350 3.325 20 0 BGADMN C[C@@H](C1CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000782190008 585811324 /nfs/dbraw/zinc/81/13/24/585811324.db2.gz STMMUABLTIAUQY-NSHDSACASA-N 0 1 240.350 3.325 20 0 BGADMN C[C@H](C1CC1)N1CCc2c(F)cc(F)cc2C1 ZINC000782190080 585811369 /nfs/dbraw/zinc/81/13/69/585811369.db2.gz UIVGURVYVFIQPG-SECBINFHSA-N 0 1 237.293 3.121 20 0 BGADMN C[C@@H](C1CC1)N1CCc2c(F)cc(F)cc2C1 ZINC000782190083 585811634 /nfs/dbraw/zinc/81/16/34/585811634.db2.gz UIVGURVYVFIQPG-VIFPVBQESA-N 0 1 237.293 3.121 20 0 BGADMN C[C@H](C1CC1)N1CCc2ccc(F)c(F)c2C1 ZINC000782191892 632506375 /nfs/dbraw/zinc/50/63/75/632506375.db2.gz RECXRKZIMHZONQ-SECBINFHSA-N 0 1 237.293 3.121 20 0 BGADMN C[C@@H](C1CC1)N1CCc2ccc(F)c(F)c2C1 ZINC000782191906 632506352 /nfs/dbraw/zinc/50/63/52/632506352.db2.gz RECXRKZIMHZONQ-VIFPVBQESA-N 0 1 237.293 3.121 20 0 BGADMN Cc1oncc1CN1Cc2ccccc2[C@H](C)C1 ZINC000782474812 585818860 /nfs/dbraw/zinc/81/88/60/585818860.db2.gz VXYOQKLHIPSAAZ-LLVKDONJSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1oncc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000782474813 585818821 /nfs/dbraw/zinc/81/88/21/585818821.db2.gz VXYOQKLHIPSAAZ-NSHDSACASA-N 0 1 242.322 3.102 20 0 BGADMN Cc1oncc1CNC(C)(C)c1ccc(F)cc1 ZINC000782513859 585819278 /nfs/dbraw/zinc/81/92/78/585819278.db2.gz YSLDNKXHBCSDGC-UHFFFAOYSA-N 0 1 248.301 3.147 20 0 BGADMN CC[C@](C)(NCc1cnoc1C)c1ccccc1 ZINC000782529252 585819665 /nfs/dbraw/zinc/81/96/65/585819665.db2.gz KLZDLUJKILOTBG-HNNXBMFYSA-N 0 1 244.338 3.398 20 0 BGADMN CC[C@@](C)(NCc1cnoc1C)c1ccccc1 ZINC000782529253 585819443 /nfs/dbraw/zinc/81/94/43/585819443.db2.gz KLZDLUJKILOTBG-OAHLLOKOSA-N 0 1 244.338 3.398 20 0 BGADMN CSCc1cccc(CNCc2ccoc2)c1 ZINC000782536232 585819256 /nfs/dbraw/zinc/81/92/56/585819256.db2.gz XSNMTXSVGOCAMV-UHFFFAOYSA-N 0 1 247.363 3.432 20 0 BGADMN Cc1cc(CNCc2ccccc2C(C)C)[nH]n1 ZINC000782539218 585819842 /nfs/dbraw/zinc/81/98/42/585819842.db2.gz HQAGSSVLVFGHCS-UHFFFAOYSA-N 0 1 243.354 3.131 20 0 BGADMN CCCCCCN1CCc2ncsc2C1 ZINC000782633052 585823639 /nfs/dbraw/zinc/82/36/39/585823639.db2.gz CNNWLKSSKIPZBI-UHFFFAOYSA-N 0 1 224.373 3.082 20 0 BGADMN Cc1noc([C@@H](C)N2CCCC3(CCCC3)C2)n1 ZINC000782637878 585823892 /nfs/dbraw/zinc/82/38/92/585823892.db2.gz ZXSVSTYQMXINAY-LLVKDONJSA-N 0 1 249.358 3.095 20 0 BGADMN Cc1noc([C@H](C)N2CCCC3(CCCC3)C2)n1 ZINC000782637879 582930486 /nfs/dbraw/zinc/93/04/86/582930486.db2.gz ZXSVSTYQMXINAY-NSHDSACASA-N 0 1 249.358 3.095 20 0 BGADMN CCCCC(N)=NOCCCc1ccsc1 ZINC000782949065 585826372 /nfs/dbraw/zinc/82/63/72/585826372.db2.gz XNUVCDQMDHEFON-UHFFFAOYSA-N 0 1 240.372 3.369 20 0 BGADMN C[C@@H](NCc1ccc(CF)cc1)c1ccccn1 ZINC000782992040 644748951 /nfs/dbraw/zinc/74/89/51/644748951.db2.gz RGRHMYIHRSMTQP-GFCCVEGCSA-N 0 1 244.313 3.402 20 0 BGADMN C[C@H](NCc1ccc(CF)cc1)c1ccccn1 ZINC000782992041 644749430 /nfs/dbraw/zinc/74/94/30/644749430.db2.gz RGRHMYIHRSMTQP-LBPRGKRZSA-N 0 1 244.313 3.402 20 0 BGADMN CC(C)[C@H](N[C@H]1CC[C@@H]1C)c1nc(C2CC2)no1 ZINC000783252485 585832308 /nfs/dbraw/zinc/83/23/08/585832308.db2.gz RFGFBUDWCOMLIT-DLOVCJGASA-N 0 1 249.358 3.032 20 0 BGADMN CC(C)[C@H](N[C@@H]1CC[C@H]1C)c1nc(C2CC2)no1 ZINC000783252493 585832435 /nfs/dbraw/zinc/83/24/35/585832435.db2.gz RFGFBUDWCOMLIT-JLLWLGSASA-N 0 1 249.358 3.032 20 0 BGADMN CC(C)[C@H](N[C@H]1CC[C@H]1C)c1nc(C2CC2)no1 ZINC000783252495 585832447 /nfs/dbraw/zinc/83/24/47/585832447.db2.gz RFGFBUDWCOMLIT-USWWRNFRSA-N 0 1 249.358 3.032 20 0 BGADMN CC(C)[C@H](N[C@@H]1CC[C@@H]1C)c1nc(C2CC2)no1 ZINC000783252497 585832306 /nfs/dbraw/zinc/83/23/06/585832306.db2.gz RFGFBUDWCOMLIT-WCQGTBRESA-N 0 1 249.358 3.032 20 0 BGADMN C[C@@H]1CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000783255984 585832355 /nfs/dbraw/zinc/83/23/55/585832355.db2.gz VMRKMMLLHCIIKP-LDWIPMOCSA-N 0 1 247.235 3.131 20 0 BGADMN C[C@@H]1CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000783255995 585832388 /nfs/dbraw/zinc/83/23/88/585832388.db2.gz VMRKMMLLHCIIKP-LHLIQPBNSA-N 0 1 247.235 3.131 20 0 BGADMN C[C@H]1CC[C@H]1NCc1c(F)c(F)cc(F)c1F ZINC000783255997 585832276 /nfs/dbraw/zinc/83/22/76/585832276.db2.gz VMRKMMLLHCIIKP-QUBYGPBYSA-N 0 1 247.235 3.131 20 0 BGADMN C[C@H]1CC[C@@H]1NCc1c(F)c(F)cc(F)c1F ZINC000783255999 585832360 /nfs/dbraw/zinc/83/23/60/585832360.db2.gz VMRKMMLLHCIIKP-WKEGUHRASA-N 0 1 247.235 3.131 20 0 BGADMN Cc1nc2cc(N[C@@H]3CC[C@H]3C)ccc2n1C ZINC000783285823 585832995 /nfs/dbraw/zinc/83/29/95/585832995.db2.gz IWPFJTHGCAZPRD-BXKDBHETSA-N 0 1 229.327 3.092 20 0 BGADMN Cc1nc2cc(N[C@H]3CC[C@@H]3C)ccc2n1C ZINC000783285827 585833116 /nfs/dbraw/zinc/83/31/16/585833116.db2.gz IWPFJTHGCAZPRD-CABZTGNLSA-N 0 1 229.327 3.092 20 0 BGADMN Cc1nc2cc(N[C@@H]3CC[C@@H]3C)ccc2n1C ZINC000783285830 585833082 /nfs/dbraw/zinc/83/30/82/585833082.db2.gz IWPFJTHGCAZPRD-JOYOIKCWSA-N 0 1 229.327 3.092 20 0 BGADMN Cc1nc2cc(N[C@H]3CC[C@H]3C)ccc2n1C ZINC000783285832 585833178 /nfs/dbraw/zinc/83/31/78/585833178.db2.gz IWPFJTHGCAZPRD-SKDRFNHKSA-N 0 1 229.327 3.092 20 0 BGADMN CCCCC(N)=NOCCC(C)(C)C ZINC000783552381 585836702 /nfs/dbraw/zinc/83/67/02/585836702.db2.gz FAJUHYGGCAIGRJ-UHFFFAOYSA-N 0 1 200.326 3.111 20 0 BGADMN CCC(N)=NOCCc1ccc2ccccc2c1 ZINC000783553851 585836614 /nfs/dbraw/zinc/83/66/14/585836614.db2.gz QWZFHAMVDUYKNH-UHFFFAOYSA-N 0 1 242.322 3.291 20 0 BGADMN CCC(N)=NOCCCc1ccccc1Cl ZINC000784046480 585847793 /nfs/dbraw/zinc/84/77/93/585847793.db2.gz BWPUPHVFWRHXBQ-UHFFFAOYSA-N 0 1 240.734 3.181 20 0 BGADMN CCCC(N)=NOCCCc1ccc(C)cc1 ZINC000784053840 585848165 /nfs/dbraw/zinc/84/81/65/585848165.db2.gz PWUIGXKLZKQJKN-UHFFFAOYSA-N 0 1 234.343 3.226 20 0 BGADMN COc1cccc([C@H]2C[C@@H](C)CN2CCF)c1 ZINC000784351267 585856556 /nfs/dbraw/zinc/85/65/56/585856556.db2.gz BJWRHHOMRGNRGS-BXUZGUMPSA-N 0 1 237.318 3.048 20 0 BGADMN COc1cccc([C@@H]2C[C@H](C)CN2CCF)c1 ZINC000784351269 585856805 /nfs/dbraw/zinc/85/68/05/585856805.db2.gz BJWRHHOMRGNRGS-FZMZJTMJSA-N 0 1 237.318 3.048 20 0 BGADMN COc1cccc([C@@H]2C[C@@H](C)CN2CCF)c1 ZINC000784351270 585856647 /nfs/dbraw/zinc/85/66/47/585856647.db2.gz BJWRHHOMRGNRGS-RISCZKNCSA-N 0 1 237.318 3.048 20 0 BGADMN COc1cccc([C@H]2C[C@H](C)CN2CCF)c1 ZINC000784351271 585856545 /nfs/dbraw/zinc/85/65/45/585856545.db2.gz BJWRHHOMRGNRGS-SMDDNHRTSA-N 0 1 237.318 3.048 20 0 BGADMN CC(C)=CCN1CCN(c2ccc(C)cc2)CC1 ZINC000784387259 585857725 /nfs/dbraw/zinc/85/77/25/585857725.db2.gz BQNZIHPIXHCPKR-UHFFFAOYSA-N 0 1 244.382 3.083 20 0 BGADMN Cc1cc(C)cc([C@@H]2CCN(CCF)C2)c1 ZINC000784501036 585861434 /nfs/dbraw/zinc/86/14/34/585861434.db2.gz HJZIJTXFYAQNKJ-CYBMUJFWSA-N 0 1 221.319 3.062 20 0 BGADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCF)C2)c1 ZINC000784501036 585861433 /nfs/dbraw/zinc/86/14/33/585861433.db2.gz HJZIJTXFYAQNKJ-CYBMUJFWSA-N 0 1 221.319 3.062 20 0 BGADMN Cc1cc(C)cc([C@H]2CCN(CCF)C2)c1 ZINC000784501037 585861559 /nfs/dbraw/zinc/86/15/59/585861559.db2.gz HJZIJTXFYAQNKJ-ZDUSSCGKSA-N 0 1 221.319 3.062 20 0 BGADMN Cc1cc(C)cc([C@H]2CC[N@@H+](CCF)C2)c1 ZINC000784501037 585861558 /nfs/dbraw/zinc/86/15/58/585861558.db2.gz HJZIJTXFYAQNKJ-ZDUSSCGKSA-N 0 1 221.319 3.062 20 0 BGADMN CN(C)Cc1ccc(NCC2(C)CC2)cc1F ZINC000785495959 585874631 /nfs/dbraw/zinc/87/46/31/585874631.db2.gz JBDSVPMIJIFAFL-UHFFFAOYSA-N 0 1 236.334 3.099 20 0 BGADMN C[C@@H](NCc1scnc1C1CC1)c1ccc[nH]1 ZINC000785511302 585874773 /nfs/dbraw/zinc/87/47/73/585874773.db2.gz NCKRQWKRNBDBGD-SECBINFHSA-N 0 1 247.367 3.199 20 0 BGADMN C[C@H](NCc1scnc1C1CC1)c1ccc[nH]1 ZINC000785511305 585874818 /nfs/dbraw/zinc/87/48/18/585874818.db2.gz NCKRQWKRNBDBGD-VIFPVBQESA-N 0 1 247.367 3.199 20 0 BGADMN CCC(CC)OC(=O)c1c(C)n[nH]c1C(C)C ZINC000786338668 585889785 /nfs/dbraw/zinc/88/97/85/585889785.db2.gz CLXWUHQFRAWDGJ-UHFFFAOYSA-N 0 1 238.331 3.187 20 0 BGADMN CCCCCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000786340042 585889757 /nfs/dbraw/zinc/88/97/57/585889757.db2.gz MOUIXTXXUOGEIA-UHFFFAOYSA-N 0 1 238.331 3.189 20 0 BGADMN CC[C@@H](C)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786341490 585889865 /nfs/dbraw/zinc/88/98/65/585889865.db2.gz FIHHVEGOAWAYFJ-SECBINFHSA-N 0 1 238.331 3.044 20 0 BGADMN CC[C@H](C)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786341495 585889969 /nfs/dbraw/zinc/88/99/69/585889969.db2.gz FIHHVEGOAWAYFJ-VIFPVBQESA-N 0 1 238.331 3.044 20 0 BGADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H]1C=CCCC1 ZINC000786342527 585890038 /nfs/dbraw/zinc/89/00/38/585890038.db2.gz QDKVDPQTJKPFNP-LLVKDONJSA-N 0 1 248.326 3.107 20 0 BGADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H]1C=CCCC1 ZINC000786342530 585890295 /nfs/dbraw/zinc/89/02/95/585890295.db2.gz QDKVDPQTJKPFNP-NSHDSACASA-N 0 1 248.326 3.107 20 0 BGADMN Cc1n[nH]c(C(C)C)c1C(=O)OCCC(C)C ZINC000786343387 585890145 /nfs/dbraw/zinc/89/01/45/585890145.db2.gz UEMOWXSILGJWSU-UHFFFAOYSA-N 0 1 238.331 3.044 20 0 BGADMN CCC[C@@H](C)OC(=O)c1c(C)n[nH]c1C(C)C ZINC000786345424 585890123 /nfs/dbraw/zinc/89/01/23/585890123.db2.gz VUPLLAVTAJHGME-SECBINFHSA-N 0 1 238.331 3.187 20 0 BGADMN CCC[C@H](C)OC(=O)c1c(C)n[nH]c1C(C)C ZINC000786345425 585890158 /nfs/dbraw/zinc/89/01/58/585890158.db2.gz VUPLLAVTAJHGME-VIFPVBQESA-N 0 1 238.331 3.187 20 0 BGADMN CCC(N)=NOC/C=C\c1ccc(Cl)cc1 ZINC000786742401 585897027 /nfs/dbraw/zinc/89/70/27/585897027.db2.gz OLRALYILVJSUIY-ARJAWSKDSA-N 0 1 238.718 3.262 20 0 BGADMN CCC(N)=NOC/C=C/c1ccc(Cl)cc1 ZINC000786742416 585897091 /nfs/dbraw/zinc/89/70/91/585897091.db2.gz OLRALYILVJSUIY-ONEGZZNKSA-N 0 1 238.718 3.262 20 0 BGADMN Cc1nc(F)ccc1CN1C2CCCC1CCC2 ZINC000787177771 585902623 /nfs/dbraw/zinc/90/26/23/585902623.db2.gz BBUCZVVDURMQND-UHFFFAOYSA-N 0 1 248.345 3.436 20 0 BGADMN CC1(C)[C@@H](C(F)(F)F)CCN1C/C=C\Cl ZINC000787318128 585906885 /nfs/dbraw/zinc/90/68/85/585906885.db2.gz CPCQLESFVNCJQR-NHLYECAPSA-N 0 1 241.684 3.402 20 0 BGADMN CC1(C)[C@H](C(F)(F)F)CCN1C/C=C\Cl ZINC000787318132 585906911 /nfs/dbraw/zinc/90/69/11/585906911.db2.gz CPCQLESFVNCJQR-QIUOEGRZSA-N 0 1 241.684 3.402 20 0 BGADMN CC1(C)[C@H](C(F)(F)F)CCN1C/C=C/Cl ZINC000787318134 585906742 /nfs/dbraw/zinc/90/67/42/585906742.db2.gz CPCQLESFVNCJQR-RYEJSQLPSA-N 0 1 241.684 3.402 20 0 BGADMN CC1(C)[C@@H](C(F)(F)F)CCN1C/C=C/Cl ZINC000787318136 585906338 /nfs/dbraw/zinc/90/63/38/585906338.db2.gz CPCQLESFVNCJQR-WGAJWPLOSA-N 0 1 241.684 3.402 20 0 BGADMN FCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000787335363 585907176 /nfs/dbraw/zinc/90/71/76/585907176.db2.gz KDJGTBGCFBIFNJ-UHFFFAOYSA-N 0 1 213.340 3.392 20 0 BGADMN CN(Cc1coc(C2CC2)n1)C1(C)CCCC1 ZINC000787337878 585907035 /nfs/dbraw/zinc/90/70/35/585907035.db2.gz SGXDYJXFDYAMJP-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN C[N@@H+](Cc1coc(C2CC2)n1)C1(C)CCCC1 ZINC000787337878 585907034 /nfs/dbraw/zinc/90/70/34/585907034.db2.gz SGXDYJXFDYAMJP-UHFFFAOYSA-N 0 1 234.343 3.317 20 0 BGADMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccoc1 ZINC000787417884 585909163 /nfs/dbraw/zinc/90/91/63/585909163.db2.gz QNRROWOMLCRMQG-JTQLQIEISA-N 0 1 247.260 3.442 20 0 BGADMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccoc1 ZINC000787417886 585909197 /nfs/dbraw/zinc/90/91/97/585909197.db2.gz QNRROWOMLCRMQG-SNVBAGLBSA-N 0 1 247.260 3.442 20 0 BGADMN CC(C)CN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787653397 585913661 /nfs/dbraw/zinc/91/36/61/585913661.db2.gz OZWYEYATYGDSSU-JTQLQIEISA-N 0 1 226.751 3.174 20 0 BGADMN CC(C)CN1CCn2c(Cl)ccc2[C@H]1C ZINC000787653411 585913628 /nfs/dbraw/zinc/91/36/28/585913628.db2.gz OZWYEYATYGDSSU-SNVBAGLBSA-N 0 1 226.751 3.174 20 0 BGADMN CCCCN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787654348 585913517 /nfs/dbraw/zinc/91/35/17/585913517.db2.gz RGNPXHTUQAYJSR-JTQLQIEISA-N 0 1 226.751 3.318 20 0 BGADMN CCCCN1CCn2c(Cl)ccc2[C@H]1C ZINC000787654349 585913553 /nfs/dbraw/zinc/91/35/53/585913553.db2.gz RGNPXHTUQAYJSR-SNVBAGLBSA-N 0 1 226.751 3.318 20 0 BGADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2ncc[nH]2)C1 ZINC000787769820 584122021 /nfs/dbraw/zinc/12/20/21/584122021.db2.gz KAGIADPWWMEZTE-CHWSQXEVSA-N 0 1 235.375 3.058 20 0 BGADMN CC[C@@H]1CCC[C@H](CN(C)Cc2ncc[nH]2)C1 ZINC000787769821 584121803 /nfs/dbraw/zinc/12/18/03/584121803.db2.gz KAGIADPWWMEZTE-OLZOCXBDSA-N 0 1 235.375 3.058 20 0 BGADMN CC[C@H]1CCC[C@@H](CN(C)Cc2ncc[nH]2)C1 ZINC000787769822 584121817 /nfs/dbraw/zinc/12/18/17/584121817.db2.gz KAGIADPWWMEZTE-QWHCGFSZSA-N 0 1 235.375 3.058 20 0 BGADMN CC[C@H]1CCC[C@H](CN(C)Cc2ncc[nH]2)C1 ZINC000787769823 584122007 /nfs/dbraw/zinc/12/20/07/584122007.db2.gz KAGIADPWWMEZTE-STQMWFEESA-N 0 1 235.375 3.058 20 0 BGADMN Cc1ccc(NC2CC(C)(C)C2)c(N(C)C)n1 ZINC000788595937 585927586 /nfs/dbraw/zinc/92/75/86/585927586.db2.gz AIVAOXJHACVBRS-UHFFFAOYSA-N 0 1 233.359 3.057 20 0 BGADMN Cc1ccc(N[C@@H]2CC=C(C)CC2)c(N(C)C)n1 ZINC000788713470 585929420 /nfs/dbraw/zinc/92/94/20/585929420.db2.gz WAVXRSZCBNHZTB-CYBMUJFWSA-N 0 1 245.370 3.367 20 0 BGADMN Cc1ccc(N[C@H]2CC=C(C)CC2)c(N(C)C)n1 ZINC000788713471 585929454 /nfs/dbraw/zinc/92/94/54/585929454.db2.gz WAVXRSZCBNHZTB-ZDUSSCGKSA-N 0 1 245.370 3.367 20 0 BGADMN CCCCC(N)=NOCCCCOC(C)(C)C ZINC000788788972 585930256 /nfs/dbraw/zinc/93/02/56/585930256.db2.gz YVSFNKABDVTOKL-UHFFFAOYSA-N 0 1 244.379 3.270 20 0 BGADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000789586017 585944747 /nfs/dbraw/zinc/94/47/47/585944747.db2.gz IQEYJBDBZAQQKH-GRYCIOLGSA-N 0 1 248.370 3.418 20 0 BGADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000789586019 585944691 /nfs/dbraw/zinc/94/46/91/585944691.db2.gz IQEYJBDBZAQQKH-IJLUTSLNSA-N 0 1 248.370 3.418 20 0 BGADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000789586021 585944787 /nfs/dbraw/zinc/94/47/87/585944787.db2.gz IQEYJBDBZAQQKH-UTUOFQBUSA-N 0 1 248.370 3.418 20 0 BGADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000789586023 585944901 /nfs/dbraw/zinc/94/49/01/585944901.db2.gz IQEYJBDBZAQQKH-WOPDTQHZSA-N 0 1 248.370 3.418 20 0 BGADMN C/C=C(\CC)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000789738044 585949213 /nfs/dbraw/zinc/94/92/13/585949213.db2.gz YZHAISLODVEDDF-ONNFQVAWSA-N 0 1 243.310 3.166 20 0 BGADMN C/C=C(/CC)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000789738047 585949116 /nfs/dbraw/zinc/94/91/16/585949116.db2.gz YZHAISLODVEDDF-WMZJFQQLSA-N 0 1 243.310 3.166 20 0 BGADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H](C)C(C)C ZINC000789804513 585950744 /nfs/dbraw/zinc/95/07/44/585950744.db2.gz SGFPAVVFGPPAJR-JTQLQIEISA-N 0 1 238.331 3.043 20 0 BGADMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H](C)C(C)C ZINC000789804514 585950674 /nfs/dbraw/zinc/95/06/74/585950674.db2.gz SGFPAVVFGPPAJR-SNVBAGLBSA-N 0 1 238.331 3.043 20 0 BGADMN C/C=C(\CC)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000789838020 585951461 /nfs/dbraw/zinc/95/14/61/585951461.db2.gz 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CC(C)N(Cc1cc(F)ncc1F)C1CCC1 ZINC000823465190 587223959 /nfs/dbraw/zinc/22/39/59/587223959.db2.gz UMJFAPKOFXQRKH-UHFFFAOYSA-N 0 1 240.297 3.123 20 0 BGADMN CN(CCC1CC1)Cc1ccnc(Cl)c1F ZINC000823489564 587226353 /nfs/dbraw/zinc/22/63/53/587226353.db2.gz IDCRRNBXLFQZFD-UHFFFAOYSA-N 0 1 242.725 3.106 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C)C[C@H]2C)o1 ZINC000823515254 587228533 /nfs/dbraw/zinc/22/85/33/587228533.db2.gz BYVRTUHTOVPDBX-VXGBXAGGSA-N 0 1 236.359 3.418 20 0 BGADMN Cc1cccc(F)c1CNCc1ccncc1C ZINC000823949372 645052775 /nfs/dbraw/zinc/05/27/75/645052775.db2.gz GQRRWVWYHQBANA-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN CC(C)CC[C@@H]1CC[C@@H](NCc2ccon2)C1 ZINC000823966122 587247262 /nfs/dbraw/zinc/24/72/62/587247262.db2.gz FPMYASCWGBRWMO-CHWSQXEVSA-N 0 1 236.359 3.369 20 0 BGADMN CC(C)CC[C@@H]1CC[C@H](NCc2ccon2)C1 ZINC000823966124 587247407 /nfs/dbraw/zinc/24/74/07/587247407.db2.gz FPMYASCWGBRWMO-OLZOCXBDSA-N 0 1 236.359 3.369 20 0 BGADMN CC(C)CC[C@H]1CC[C@@H](NCc2ccon2)C1 ZINC000823966126 587247396 /nfs/dbraw/zinc/24/73/96/587247396.db2.gz FPMYASCWGBRWMO-QWHCGFSZSA-N 0 1 236.359 3.369 20 0 BGADMN CC(C)CC[C@H]1CC[C@H](NCc2ccon2)C1 ZINC000823966128 585028527 /nfs/dbraw/zinc/02/85/27/585028527.db2.gz FPMYASCWGBRWMO-STQMWFEESA-N 0 1 236.359 3.369 20 0 BGADMN Cc1cccc(C)c1CNCc1ccncc1F ZINC000824023883 587249058 /nfs/dbraw/zinc/24/90/58/587249058.db2.gz ZLJSDRTYARCFBH-UHFFFAOYSA-N 0 1 244.313 3.127 20 0 BGADMN Cc1cccc(CN[C@H](C)c2ccc[nH]2)c1F ZINC000824050626 587251883 /nfs/dbraw/zinc/25/18/83/587251883.db2.gz INBINIDOFGLGOY-LLVKDONJSA-N 0 1 232.302 3.313 20 0 BGADMN Cc1cccc(CN[C@@H](C)c2ccc[nH]2)c1F ZINC000824050627 587251896 /nfs/dbraw/zinc/25/18/96/587251896.db2.gz INBINIDOFGLGOY-NSHDSACASA-N 0 1 232.302 3.313 20 0 BGADMN COc1cc(C)ccc1CN[C@H](C)c1ccc[nH]1 ZINC000824051341 587251985 /nfs/dbraw/zinc/25/19/85/587251985.db2.gz WRTFLLWHHQYWQK-GFCCVEGCSA-N 0 1 244.338 3.183 20 0 BGADMN COc1cc(C)ccc1CN[C@@H](C)c1ccc[nH]1 ZINC000824051342 587251676 /nfs/dbraw/zinc/25/16/76/587251676.db2.gz WRTFLLWHHQYWQK-LBPRGKRZSA-N 0 1 244.338 3.183 20 0 BGADMN CN(Cc1cc(F)ncc1F)C1(C)CCCC1 ZINC000824302034 587265685 /nfs/dbraw/zinc/26/56/85/587265685.db2.gz LROODSQLZOHNRF-UHFFFAOYSA-N 0 1 240.297 3.124 20 0 BGADMN C[C@H](CC(C)(C)C)NC(C)(C)C(F)F ZINC000824315647 587265719 /nfs/dbraw/zinc/26/57/19/587265719.db2.gz ZSYCLSINIVYGSK-MRVPVSSYSA-N 0 1 207.308 3.444 20 0 BGADMN C[C@@H](CC(C)(C)C)NC(C)(C)C(F)F ZINC000824315648 587265963 /nfs/dbraw/zinc/26/59/63/587265963.db2.gz ZSYCLSINIVYGSK-QMMMGPOBSA-N 0 1 207.308 3.444 20 0 BGADMN Cc1cc(CN2CCC(F)(F)CC2)cs1 ZINC000824320665 587265826 /nfs/dbraw/zinc/26/58/26/587265826.db2.gz JNSQBNMQNPZYRS-UHFFFAOYSA-N 0 1 231.311 3.288 20 0 BGADMN C[C@]1(F)CCCN(Cc2ccc3c(c2)COC3)C1 ZINC000824471669 587271494 /nfs/dbraw/zinc/27/14/94/587271494.db2.gz FVNHSHSREDZYBY-HNNXBMFYSA-N 0 1 249.329 3.041 20 0 BGADMN C[C@@]1(F)CCCN(Cc2ccc3c(c2)COC3)C1 ZINC000824471672 587271334 /nfs/dbraw/zinc/27/13/34/587271334.db2.gz FVNHSHSREDZYBY-OAHLLOKOSA-N 0 1 249.329 3.041 20 0 BGADMN Cc1cc(CN2CCC[C@@](C)(F)C2)c(C)o1 ZINC000824472463 587271396 /nfs/dbraw/zinc/27/13/96/587271396.db2.gz RVDDYQDIXHXVBJ-CYBMUJFWSA-N 0 1 225.307 3.220 20 0 BGADMN Cc1cc(CN2CCC[C@](C)(F)C2)c(C)o1 ZINC000824472464 587271407 /nfs/dbraw/zinc/27/14/07/587271407.db2.gz RVDDYQDIXHXVBJ-ZDUSSCGKSA-N 0 1 225.307 3.220 20 0 BGADMN COc1cccc2cc(CN3CC4(CC4)C3)oc21 ZINC000824533655 587274349 /nfs/dbraw/zinc/27/43/49/587274349.db2.gz IPKMRWCVIAHDPL-UHFFFAOYSA-N 0 1 243.306 3.037 20 0 BGADMN CCN(Cc1ccc(F)c(F)c1F)C(C)C ZINC000824548453 587275467 /nfs/dbraw/zinc/27/54/67/587275467.db2.gz MPHBAMDXDJSDKW-UHFFFAOYSA-N 0 1 231.261 3.334 20 0 BGADMN FCC(CF)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000824554276 587275690 /nfs/dbraw/zinc/27/56/90/587275690.db2.gz DRMUETGFZMGWQU-GRYCIOLGSA-N 0 1 231.330 3.243 20 0 BGADMN FCC(CF)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000824554277 587275663 /nfs/dbraw/zinc/27/56/63/587275663.db2.gz DRMUETGFZMGWQU-IJLUTSLNSA-N 0 1 231.330 3.243 20 0 BGADMN FCC(CF)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000824554278 587276039 /nfs/dbraw/zinc/27/60/39/587276039.db2.gz DRMUETGFZMGWQU-QJPTWQEYSA-N 0 1 231.330 3.243 20 0 BGADMN FCC(CF)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000824554279 587275904 /nfs/dbraw/zinc/27/59/04/587275904.db2.gz DRMUETGFZMGWQU-SDDRHHMPSA-N 0 1 231.330 3.243 20 0 BGADMN CCCCCC[C@H](C)NC(CF)CF ZINC000824554813 587275802 /nfs/dbraw/zinc/27/58/02/587275802.db2.gz MPEHLNPULJXFEA-JTQLQIEISA-N 0 1 207.308 3.243 20 0 BGADMN CCCCCC[C@@H](C)NC(CF)CF ZINC000824554814 587275686 /nfs/dbraw/zinc/27/56/86/587275686.db2.gz MPEHLNPULJXFEA-SNVBAGLBSA-N 0 1 207.308 3.243 20 0 BGADMN C[C@@H]1C[C@@H](NCc2ccoc2)c2ccccc2O1 ZINC000824649100 587280642 /nfs/dbraw/zinc/28/06/42/587280642.db2.gz BEYGRSKIXZWSPF-BXUZGUMPSA-N 0 1 243.306 3.282 20 0 BGADMN Cc1cc(CN2CC[C@@H]2C2CC2)cc(Cl)n1 ZINC000824650615 587280861 /nfs/dbraw/zinc/28/08/61/587280861.db2.gz OBDJPDOHCRNABF-GFCCVEGCSA-N 0 1 236.746 3.028 20 0 BGADMN Cc1cc(CN2CC[C@H]2C2CC2)cc(Cl)n1 ZINC000824650617 587280662 /nfs/dbraw/zinc/28/06/62/587280662.db2.gz OBDJPDOHCRNABF-LBPRGKRZSA-N 0 1 236.746 3.028 20 0 BGADMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccoc1 ZINC000824715865 587283786 /nfs/dbraw/zinc/28/37/86/587283786.db2.gz PXHNHDRSRYFBCO-GXSJLCMTSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccoc1 ZINC000824715866 587283780 /nfs/dbraw/zinc/28/37/80/587283780.db2.gz PXHNHDRSRYFBCO-KOLCDFICSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccoc1 ZINC000824715867 587284003 /nfs/dbraw/zinc/28/40/03/587284003.db2.gz PXHNHDRSRYFBCO-MWLCHTKSSA-N 0 1 247.260 3.442 20 0 BGADMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccoc1 ZINC000824715868 587283761 /nfs/dbraw/zinc/28/37/61/587283761.db2.gz PXHNHDRSRYFBCO-ONGXEEELSA-N 0 1 247.260 3.442 20 0 BGADMN CC1(C)CCN1Cc1cccc(OC2CC2)c1F ZINC000824825174 587289138 /nfs/dbraw/zinc/28/91/38/587289138.db2.gz NYHNLWZSCKUADP-UHFFFAOYSA-N 0 1 249.329 3.351 20 0 BGADMN c1oc(C2CC2)nc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000824837954 587289855 /nfs/dbraw/zinc/28/98/55/587289855.db2.gz JXIKLXJGVBVOCX-BETUJISGSA-N 0 1 246.354 3.174 20 0 BGADMN Cl/C=C\C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000824898201 587292329 /nfs/dbraw/zinc/29/23/29/587292329.db2.gz JNZGZKSIOSYBNR-UQYHUFHVSA-N 0 1 235.758 3.446 20 0 BGADMN Cl/C=C\C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000824898202 587292521 /nfs/dbraw/zinc/29/25/21/587292521.db2.gz JNZGZKSIOSYBNR-VYLZPFMQSA-N 0 1 235.758 3.446 20 0 BGADMN c1nc(CN2CCCCCCCC2)cs1 ZINC000824982900 587296676 /nfs/dbraw/zinc/29/66/76/587296676.db2.gz NDRYMMPQVFZUJT-UHFFFAOYSA-N 0 1 224.373 3.299 20 0 BGADMN CCCCC[C@@H](C)NCc1coc(CC)n1 ZINC000825057011 587301350 /nfs/dbraw/zinc/30/13/50/587301350.db2.gz KTUZVYIBOVZGBM-LLVKDONJSA-N 0 1 224.348 3.295 20 0 BGADMN CCCCC[C@H](C)NCc1coc(CC)n1 ZINC000825057012 587298566 /nfs/dbraw/zinc/29/85/66/587298566.db2.gz KTUZVYIBOVZGBM-NSHDSACASA-N 0 1 224.348 3.295 20 0 BGADMN CCc1nc(CN[C@H](C)CC2CCCC2)co1 ZINC000825057411 587300840 /nfs/dbraw/zinc/30/08/40/587300840.db2.gz NABPUFOGZYNDRK-LLVKDONJSA-N 0 1 236.359 3.295 20 0 BGADMN CCc1nc(CN[C@@H](C)CC2CCCC2)co1 ZINC000825057412 587301348 /nfs/dbraw/zinc/30/13/48/587301348.db2.gz NABPUFOGZYNDRK-NSHDSACASA-N 0 1 236.359 3.295 20 0 BGADMN CCc1nc(CN[C@H](C)CCC(C)C)co1 ZINC000825058345 587301091 /nfs/dbraw/zinc/30/10/91/587301091.db2.gz WIDMGMXMKLFXPX-LLVKDONJSA-N 0 1 224.348 3.151 20 0 BGADMN CCc1nc(CN[C@@H](C)CCC(C)C)co1 ZINC000825058346 587300791 /nfs/dbraw/zinc/30/07/91/587300791.db2.gz WIDMGMXMKLFXPX-NSHDSACASA-N 0 1 224.348 3.151 20 0 BGADMN CCc1nc(CN[C@H](C)CCC=C(C)C)co1 ZINC000825058375 587301085 /nfs/dbraw/zinc/30/10/85/587301085.db2.gz WUUAENCYWANXTN-GFCCVEGCSA-N 0 1 236.359 3.462 20 0 BGADMN CCc1nc(CN[C@@H](C)CCC=C(C)C)co1 ZINC000825058377 587301259 /nfs/dbraw/zinc/30/12/59/587301259.db2.gz WUUAENCYWANXTN-LBPRGKRZSA-N 0 1 236.359 3.462 20 0 BGADMN CCc1nc(CNC[C@@H](C)c2ccccc2)co1 ZINC000825062065 587301975 /nfs/dbraw/zinc/30/19/75/587301975.db2.gz NQJDSYBHTAJZTJ-GFCCVEGCSA-N 0 1 244.338 3.130 20 0 BGADMN CCc1nc(CNC[C@H](C)c2ccccc2)co1 ZINC000825062067 587302008 /nfs/dbraw/zinc/30/20/08/587302008.db2.gz NQJDSYBHTAJZTJ-LBPRGKRZSA-N 0 1 244.338 3.130 20 0 BGADMN CCc1nc(CNCCC2CCCCC2)co1 ZINC000825062368 585029064 /nfs/dbraw/zinc/02/90/64/585029064.db2.gz UAHDMFBBJDBITE-UHFFFAOYSA-N 0 1 236.359 3.297 20 0 BGADMN Cc1cc(CNc2ccc3c(n2)CCC3)c(C)o1 ZINC000825124190 587305511 /nfs/dbraw/zinc/30/55/11/587305511.db2.gz JUQMKLYSHOLGEG-UHFFFAOYSA-N 0 1 242.322 3.392 20 0 BGADMN Cc1cc(CNCc2cnc(C)cc2C)c(C)o1 ZINC000825221589 587310180 /nfs/dbraw/zinc/31/01/80/587310180.db2.gz SHHYMSLFMITFIT-UHFFFAOYSA-N 0 1 244.338 3.198 20 0 BGADMN CC(C(=O)Nc1ccc2nc[nH]c2c1)=C1CCC1 ZINC000825472036 587320273 /nfs/dbraw/zinc/32/02/73/587320273.db2.gz HSISNWPQGSLMPY-UHFFFAOYSA-N 0 1 241.294 3.002 20 0 BGADMN C/C(=C\C[N@H+](C(C)C)C1CCCCC1)C(=O)[O-] ZINC000825724271 601160339 /nfs/dbraw/zinc/16/03/39/601160339.db2.gz LKEKJWZMQBIFCP-FMIVXFBMSA-N 0 1 239.359 3.060 20 0 BGADMN C/C(=C/C[N@H+](C(C)C)C1CCCCC1)C(=O)[O-] ZINC000825724272 601160594 /nfs/dbraw/zinc/16/05/94/601160594.db2.gz LKEKJWZMQBIFCP-XFXZXTDPSA-N 0 1 239.359 3.060 20 0 BGADMN C/C(=C\C[N@H+](C)[C@H](C)c1ccccc1C)C(=O)[O-] ZINC000825729398 587334049 /nfs/dbraw/zinc/33/40/49/587334049.db2.gz DWNHNQDSCVKRDL-CNELAYHGSA-N 0 1 247.338 3.019 20 0 BGADMN C/C(=C/C[N@H+](C)[C@H](C)c1ccccc1C)C(=O)[O-] ZINC000825729400 587334064 /nfs/dbraw/zinc/33/40/64/587334064.db2.gz DWNHNQDSCVKRDL-KIWPFMIBSA-N 0 1 247.338 3.019 20 0 BGADMN C/C(=C\C[N@H+](C)[C@@H](C)c1ccccc1C)C(=O)[O-] ZINC000825729402 587334054 /nfs/dbraw/zinc/33/40/54/587334054.db2.gz DWNHNQDSCVKRDL-SRXBQZRASA-N 0 1 247.338 3.019 20 0 BGADMN C/C(=C/C[N@H+](C)[C@@H](C)c1ccccc1C)C(=O)[O-] ZINC000825729406 587334502 /nfs/dbraw/zinc/33/45/02/587334502.db2.gz DWNHNQDSCVKRDL-SUIFULHWSA-N 0 1 247.338 3.019 20 0 BGADMN C/C(=C\C[N@H+](C)[C@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000825730164 587334273 /nfs/dbraw/zinc/33/42/73/587334273.db2.gz 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3.025 20 0 BGADMN CC(C)c1cnc(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000839677687 585336590 /nfs/dbraw/zinc/33/65/90/585336590.db2.gz UTGZSHNZQSWLQI-CYBMUJFWSA-N 0 1 248.370 3.420 20 0 BGADMN CC(C)c1cnc(CN2CC[C@H](C3CCC3)C2)o1 ZINC000839677688 585336768 /nfs/dbraw/zinc/33/67/68/585336768.db2.gz UTGZSHNZQSWLQI-ZDUSSCGKSA-N 0 1 248.370 3.420 20 0 BGADMN Cl/C=C(\Cl)CN1CC[C@@H](C2CCC2)C1 ZINC000839682100 585337234 /nfs/dbraw/zinc/33/72/34/585337234.db2.gz XUBCIBNULSQAKC-CHPNCVJKSA-N 0 1 234.170 3.427 20 0 BGADMN Cl/C=C(/Cl)CN1CC[C@H](C2CCC2)C1 ZINC000839682101 585337009 /nfs/dbraw/zinc/33/70/09/585337009.db2.gz XUBCIBNULSQAKC-OTXQMUPVSA-N 0 1 234.170 3.427 20 0 BGADMN Cl/C=C(\Cl)CN1CC[C@H](C2CCC2)C1 ZINC000839682102 585337277 /nfs/dbraw/zinc/33/72/77/585337277.db2.gz XUBCIBNULSQAKC-OYUORYAFSA-N 0 1 234.170 3.427 20 0 BGADMN Cl/C=C(/Cl)CN1CC[C@@H](C2CCC2)C1 ZINC000839682103 585337079 /nfs/dbraw/zinc/33/70/79/585337079.db2.gz XUBCIBNULSQAKC-VUUNSECVSA-N 0 1 234.170 3.427 20 0 BGADMN CCN(Cn1cc(Cl)cn1)C1CC(C)(C)C1 ZINC000840185201 586520953 /nfs/dbraw/zinc/52/09/53/586520953.db2.gz XCXPZZCGSSIBQQ-UHFFFAOYSA-N 0 1 241.766 3.005 20 0 BGADMN C/C(=C/Cl)CS[C@H](C)c1n[nH]c(C)n1 ZINC000840205862 644902259 /nfs/dbraw/zinc/90/22/59/644902259.db2.gz CBCVUFMCYFOSHV-FXXDRWHHSA-N 0 1 231.752 3.050 20 0 BGADMN C/C(=C\Cl)CS[C@@H](C)c1n[nH]c(C)n1 ZINC000840205863 644901434 /nfs/dbraw/zinc/90/14/34/644901434.db2.gz CBCVUFMCYFOSHV-KNIZRNDPSA-N 0 1 231.752 3.050 20 0 BGADMN C/C(=C/Cl)CS[C@@H](C)c1n[nH]c(C)n1 ZINC000840205864 644901708 /nfs/dbraw/zinc/90/17/08/644901708.db2.gz CBCVUFMCYFOSHV-NGAMADIESA-N 0 1 231.752 3.050 20 0 BGADMN C/C(=C\Cl)CS[C@H](C)c1n[nH]c(C)n1 ZINC000840205865 644902066 /nfs/dbraw/zinc/90/20/66/644902066.db2.gz CBCVUFMCYFOSHV-PTYLAXBQSA-N 0 1 231.752 3.050 20 0 BGADMN Cc1nc([C@@H](C)SC(C)(C)C(C)C)n[nH]1 ZINC000840206655 586545242 /nfs/dbraw/zinc/54/52/42/586545242.db2.gz OWBYFQUPARVRKS-MRVPVSSYSA-N 0 1 227.377 3.342 20 0 BGADMN Cc1nc([C@H](C)SC(C)(C)C(C)C)n[nH]1 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/nfs/dbraw/zinc/92/80/94/587928094.db2.gz BOAATNVRMUGZFH-UHFFFAOYSA-N 0 1 245.301 3.278 20 0 BGADMN Cc1ccc(F)cc1CNc1nccn1C1CC1 ZINC000840886766 587927876 /nfs/dbraw/zinc/92/78/76/587927876.db2.gz BSIBGBUZWKMQDJ-UHFFFAOYSA-N 0 1 245.301 3.278 20 0 BGADMN Cc1cc(C)cc(CNc2nccn2C2CC2)c1 ZINC000840886797 582945313 /nfs/dbraw/zinc/94/53/13/582945313.db2.gz DFFPIQDEECWNGS-UHFFFAOYSA-N 0 1 241.338 3.447 20 0 BGADMN Fc1cccc(F)c1CNc1nccn1C1CC1 ZINC000840886823 587927983 /nfs/dbraw/zinc/92/79/83/587927983.db2.gz DXWITCIPIRJXOD-UHFFFAOYSA-N 0 1 249.264 3.108 20 0 BGADMN Cc1ccc(F)c(CNc2nccn2C2CC2)c1 ZINC000840886828 587927923 /nfs/dbraw/zinc/92/79/23/587927923.db2.gz FFJZOXFMRKXWLP-UHFFFAOYSA-N 0 1 245.301 3.278 20 0 BGADMN Cc1sccc1CNc1nccn1C1CC1 ZINC000840886992 582946697 /nfs/dbraw/zinc/94/66/97/582946697.db2.gz QOCGVBAQMWVVBE-UHFFFAOYSA-N 0 1 233.340 3.200 20 0 BGADMN Cc1cc(CNc2nccn2C2CC2)cs1 ZINC000840887454 587928376 /nfs/dbraw/zinc/92/83/76/587928376.db2.gz XHZVIPRDNNYBOH-UHFFFAOYSA-N 0 1 233.340 3.200 20 0 BGADMN Fc1cccc(CNc2nccn2C2CC2)c1F ZINC000840887612 587927861 /nfs/dbraw/zinc/92/78/61/587927861.db2.gz PVIJBXLXQQFHMD-UHFFFAOYSA-N 0 1 249.264 3.108 20 0 BGADMN Cc1ccc(CNc2nccn2C2CC2)cc1C ZINC000840887616 587928363 /nfs/dbraw/zinc/92/83/63/587928363.db2.gz QCXYSWUZUHYDQR-UHFFFAOYSA-N 0 1 241.338 3.447 20 0 BGADMN Cc1cc(CNc2nccn2C2CC2)c(C)o1 ZINC000840887678 587928045 /nfs/dbraw/zinc/92/80/45/587928045.db2.gz TUGXEMJZXBVDLV-UHFFFAOYSA-N 0 1 231.299 3.040 20 0 BGADMN Fc1cc(F)cc(CNc2nccn2C2CC2)c1 ZINC000840887683 587928006 /nfs/dbraw/zinc/92/80/06/587928006.db2.gz UCVOHDTYQXXCBE-UHFFFAOYSA-N 0 1 249.264 3.108 20 0 BGADMN Cc1ccc(C)c(CNc2nccn2C2CC2)c1 ZINC000840887849 587928124 /nfs/dbraw/zinc/92/81/24/587928124.db2.gz XPIZVBQTJAYFKV-UHFFFAOYSA-N 0 1 241.338 3.447 20 0 BGADMN CCc1ccc(CNc2nccn2C2CC2)s1 ZINC000840887851 587928356 /nfs/dbraw/zinc/92/83/56/587928356.db2.gz XSXINHZSNWBXNH-UHFFFAOYSA-N 0 1 247.367 3.454 20 0 BGADMN Cc1ccc(CNc2nccn2C2CC2)c(C)c1 ZINC000840888450 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BGADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1coc(C2CC2)n1 ZINC000841889590 587981538 /nfs/dbraw/zinc/98/15/38/587981538.db2.gz FDDMTHXGYLDRQZ-OUAUKWLOSA-N 0 1 234.343 3.028 20 0 BGADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)[C@@H](C)[C@H]1C ZINC000841889591 587981583 /nfs/dbraw/zinc/98/15/83/587981583.db2.gz FDDMTHXGYLDRQZ-VWYCJHECSA-N 0 1 234.343 3.028 20 0 BGADMN CCC(N)=NOCc1ccc(C(C)C)nc1CC ZINC000842023446 587989531 /nfs/dbraw/zinc/98/95/31/587989531.db2.gz HOJVZCXQMZDFIW-UHFFFAOYSA-N 0 1 249.358 3.176 20 0 BGADMN CCC(N)=NOCc1c(C)cccc1Cl ZINC000842024853 587989449 /nfs/dbraw/zinc/98/94/49/587989449.db2.gz RTPKSXBULXMKPD-UHFFFAOYSA-N 0 1 226.707 3.057 20 0 BGADMN CCCC(N)=NOC[C@H]1CCCCC1(F)F ZINC000842028386 587990544 /nfs/dbraw/zinc/99/05/44/587990544.db2.gz NVFFECSJICLJGF-SECBINFHSA-N 0 1 234.290 3.110 20 0 BGADMN CCCC(N)=NOC[C@@H]1CCCCC1(F)F ZINC000842028388 587990384 /nfs/dbraw/zinc/99/03/84/587990384.db2.gz NVFFECSJICLJGF-VIFPVBQESA-N 0 1 234.290 3.110 20 0 BGADMN CCCC(N)=NOCC1CCC(F)(F)CC1 ZINC000842029100 587990634 /nfs/dbraw/zinc/99/06/34/587990634.db2.gz XKKIDZPSGOJGJB-UHFFFAOYSA-N 0 1 234.290 3.110 20 0 BGADMN CC(C)C(N)=NOCC/C=C\c1ccccc1 ZINC000842038089 584025582 /nfs/dbraw/zinc/02/55/82/584025582.db2.gz AJWSCQWMZXSTMH-POHAHGRESA-N 0 1 232.327 3.244 20 0 BGADMN CC(C)C(N)=NOCC/C=C/c1ccccc1 ZINC000842038093 584025670 /nfs/dbraw/zinc/02/56/70/584025670.db2.gz AJWSCQWMZXSTMH-UXBLZVDNSA-N 0 1 232.327 3.244 20 0 BGADMN CC(C)C(N)=NOCCc1ccc(Cl)cc1 ZINC000842038112 587992100 /nfs/dbraw/zinc/99/21/00/587992100.db2.gz ASHVIOZYMRPOSN-UHFFFAOYSA-N 0 1 240.734 3.037 20 0 BGADMN Cc1nc(C(C)C)ccc1CON=C(N)C(C)C ZINC000842040328 645237508 /nfs/dbraw/zinc/23/75/08/645237508.db2.gz TUMZMEOJNOXTCJ-UHFFFAOYSA-N 0 1 249.358 3.168 20 0 BGADMN CC(C)C(N)=NOCCC1=CCCCC1 ZINC000842040708 645237297 /nfs/dbraw/zinc/23/72/97/645237297.db2.gz YGXRGDQMKRUCTO-UHFFFAOYSA-N 0 1 210.321 3.031 20 0 BGADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C/C(Cl)=C/Cl ZINC000842165685 588005367 /nfs/dbraw/zinc/00/53/67/588005367.db2.gz DLHYHKFDFIOWOM-MOCXTULYSA-N 0 1 222.159 3.282 20 0 BGADMN C[C@H]1[C@@H](C)N(C/C(Cl)=C/Cl)C[C@H]1C ZINC000842165691 588005222 /nfs/dbraw/zinc/00/52/22/588005222.db2.gz DLHYHKFDFIOWOM-OHYUSEQASA-N 0 1 222.159 3.282 20 0 BGADMN C[C@H]1[C@@H](C)N(C/C(Cl)=C\Cl)C[C@H]1C ZINC000842165692 588005242 /nfs/dbraw/zinc/00/52/42/588005242.db2.gz DLHYHKFDFIOWOM-XJBDPXJZSA-N 0 1 222.159 3.282 20 0 BGADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C/C(Cl)=C\Cl ZINC000842165693 588005546 /nfs/dbraw/zinc/00/55/46/588005546.db2.gz DLHYHKFDFIOWOM-YESJOVPZSA-N 0 1 222.159 3.282 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)[C@@H](C)[C@H]2C)o1 ZINC000842167850 588005372 /nfs/dbraw/zinc/00/53/72/588005372.db2.gz XLVDQHCIGRQTJP-QJPTWQEYSA-N 0 1 236.359 3.274 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)[C@H](C)[C@H]2C)o1 ZINC000842167854 588005253 /nfs/dbraw/zinc/00/52/53/588005253.db2.gz XLVDQHCIGRQTJP-SDDRHHMPSA-N 0 1 236.359 3.274 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)[C@H](C)[C@@H]2C)o1 ZINC000842167856 588005750 /nfs/dbraw/zinc/00/57/50/588005750.db2.gz XLVDQHCIGRQTJP-SRVKXCTJSA-N 0 1 236.359 3.274 20 0 BGADMN CC(C)c1cnc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)o1 ZINC000842167859 583919999 /nfs/dbraw/zinc/91/99/99/583919999.db2.gz XLVDQHCIGRQTJP-TUAOUCFPSA-N 0 1 236.359 3.274 20 0 BGADMN Cc1c(Cl)cnn1CN(C)CCC(C)(C)C ZINC000842632186 588046767 /nfs/dbraw/zinc/04/67/67/588046767.db2.gz VMQPCKOKGLTBQO-UHFFFAOYSA-N 0 1 243.782 3.170 20 0 BGADMN Cc1ccccc1C1(NCc2ccoc2)CC1 ZINC000842732157 588056920 /nfs/dbraw/zinc/05/69/20/588056920.db2.gz GNFKALUONYLKDJ-UHFFFAOYSA-N 0 1 227.307 3.367 20 0 BGADMN CC(C)[C@@H](N)c1noc(CCCC(C)(C)C)n1 ZINC000843149009 586447884 /nfs/dbraw/zinc/44/78/84/586447884.db2.gz HTPASFGPIHOOJP-LLVKDONJSA-N 0 1 239.363 3.094 20 0 BGADMN CC(C)[C@H](N)c1noc(CCCC(C)(C)C)n1 ZINC000843149010 586448115 /nfs/dbraw/zinc/44/81/15/586448115.db2.gz HTPASFGPIHOOJP-NSHDSACASA-N 0 1 239.363 3.094 20 0 BGADMN C/C(=C\c1nc([C@@H](N)C(C)C)no1)C(C)(C)C ZINC000843149011 586447842 /nfs/dbraw/zinc/44/78/42/586447842.db2.gz HXAFEOMLORJHKV-DJYGCBNOSA-N 0 1 237.347 3.175 20 0 BGADMN C/C(=C/c1nc([C@@H](N)C(C)C)no1)C(C)(C)C ZINC000843149012 586448028 /nfs/dbraw/zinc/44/80/28/586448028.db2.gz HXAFEOMLORJHKV-DVBBHNHCSA-N 0 1 237.347 3.175 20 0 BGADMN C/C(=C/c1nc([C@H](N)C(C)C)no1)C(C)(C)C ZINC000843149013 586448078 /nfs/dbraw/zinc/44/80/78/586448078.db2.gz HXAFEOMLORJHKV-GXMKHXEJSA-N 0 1 237.347 3.175 20 0 BGADMN C/C(=C\c1nc([C@H](N)C(C)C)no1)C(C)(C)C ZINC000843149014 586448051 /nfs/dbraw/zinc/44/80/51/586448051.db2.gz HXAFEOMLORJHKV-MXMFLMJRSA-N 0 1 237.347 3.175 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@@H]2CCC(C)(C)C2)n1 ZINC000843150004 588087245 /nfs/dbraw/zinc/08/72/45/588087245.db2.gz RKVKNFOTGWFQRM-NXEZZACHSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H]2CCC(C)(C)C2)n1 ZINC000843150006 588087636 /nfs/dbraw/zinc/08/76/36/588087636.db2.gz RKVKNFOTGWFQRM-UWVGGRQHSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@H]2CCC(C)(C)C2)n1 ZINC000843150008 588087837 /nfs/dbraw/zinc/08/78/37/588087837.db2.gz RKVKNFOTGWFQRM-VHSXEESVSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2CCC(C)(C)C2)n1 ZINC000843150009 588087277 /nfs/dbraw/zinc/08/72/77/588087277.db2.gz RKVKNFOTGWFQRM-ZJUUUORDSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@@H](N)c1noc(/C=C\C2CCCCC2)n1 ZINC000843150091 586448321 /nfs/dbraw/zinc/44/83/21/586448321.db2.gz SOJJLVMTAXPICY-LJTDUEICSA-N 0 1 249.358 3.319 20 0 BGADMN CC(C)[C@@H](N)c1noc(/C=C/C2CCCCC2)n1 ZINC000843150092 586448229 /nfs/dbraw/zinc/44/82/29/586448229.db2.gz SOJJLVMTAXPICY-MMQHEFTJSA-N 0 1 249.358 3.319 20 0 BGADMN CC(C)[C@H](N)c1noc(/C=C/C2CCCCC2)n1 ZINC000843150093 586448372 /nfs/dbraw/zinc/44/83/72/586448372.db2.gz SOJJLVMTAXPICY-XEHSLEBBSA-N 0 1 249.358 3.319 20 0 BGADMN CC(C)[C@H](N)c1noc(/C=C\C2CCCCC2)n1 ZINC000843150094 586448268 /nfs/dbraw/zinc/44/82/68/586448268.db2.gz SOJJLVMTAXPICY-YXVBKTCISA-N 0 1 249.358 3.319 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@@H](C)C2CCCC2)n1 ZINC000843151539 588087507 /nfs/dbraw/zinc/08/75/07/588087507.db2.gz NYBQWUWOZININN-GXSJLCMTSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H](C)C2CCCC2)n1 ZINC000843151540 588087353 /nfs/dbraw/zinc/08/73/53/588087353.db2.gz NYBQWUWOZININN-KOLCDFICSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@H](C)C2CCCC2)n1 ZINC000843151542 588087439 /nfs/dbraw/zinc/08/74/39/588087439.db2.gz NYBQWUWOZININN-MWLCHTKSSA-N 0 1 237.347 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H](C)C2CCCC2)n1 ZINC000843151544 588087777 /nfs/dbraw/zinc/08/77/77/588087777.db2.gz NYBQWUWOZININN-ONGXEEELSA-N 0 1 237.347 3.019 20 0 BGADMN CCC(CC)(CC)c1nc([C@@H](N)C(C)C)no1 ZINC000843152125 588087253 /nfs/dbraw/zinc/08/72/53/588087253.db2.gz PRJXOCDLVFLTMS-JTQLQIEISA-N 0 1 239.363 3.193 20 0 BGADMN CCC(CC)(CC)c1nc([C@H](N)C(C)C)no1 ZINC000843152127 588087825 /nfs/dbraw/zinc/08/78/25/588087825.db2.gz PRJXOCDLVFLTMS-SNVBAGLBSA-N 0 1 239.363 3.193 20 0 BGADMN CC(C)CC(C)(C)c1nc([C@@H](N)C(C)C)no1 ZINC000843153424 645269679 /nfs/dbraw/zinc/26/96/79/645269679.db2.gz VFBDTCSGXVTBJI-JTQLQIEISA-N 0 1 239.363 3.049 20 0 BGADMN CC(C)CC(C)(C)c1nc([C@H](N)C(C)C)no1 ZINC000843153425 645268885 /nfs/dbraw/zinc/26/88/85/645268885.db2.gz VFBDTCSGXVTBJI-SNVBAGLBSA-N 0 1 239.363 3.049 20 0 BGADMN CCCN[C@H](C)c1nc([C@H](C)CCC)no1 ZINC000843181685 588090013 /nfs/dbraw/zinc/09/00/13/588090013.db2.gz FYCBAHFWVRCTNX-NXEZZACHSA-N 0 1 225.336 3.034 20 0 BGADMN CCCN[C@@H](C)c1nc([C@@H](C)CCC)no1 ZINC000843181686 588089944 /nfs/dbraw/zinc/08/99/44/588089944.db2.gz FYCBAHFWVRCTNX-UWVGGRQHSA-N 0 1 225.336 3.034 20 0 BGADMN CCCN[C@H](C)c1nc([C@@H](C)CCC)no1 ZINC000843181687 588088971 /nfs/dbraw/zinc/08/89/71/588088971.db2.gz FYCBAHFWVRCTNX-VHSXEESVSA-N 0 1 225.336 3.034 20 0 BGADMN CCCN[C@@H](C)c1nc([C@H](C)CCC)no1 ZINC000843181688 588089171 /nfs/dbraw/zinc/08/91/71/588089171.db2.gz FYCBAHFWVRCTNX-ZJUUUORDSA-N 0 1 225.336 3.034 20 0 BGADMN CCCN[C@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000843189130 588092194 /nfs/dbraw/zinc/09/21/94/588092194.db2.gz KWEUPGPZRIZZBZ-NXEZZACHSA-N 0 1 239.363 3.280 20 0 BGADMN CCCN[C@@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000843189131 588092129 /nfs/dbraw/zinc/09/21/29/588092129.db2.gz KWEUPGPZRIZZBZ-UWVGGRQHSA-N 0 1 239.363 3.280 20 0 BGADMN CCCN[C@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000843189132 588091575 /nfs/dbraw/zinc/09/15/75/588091575.db2.gz KWEUPGPZRIZZBZ-VHSXEESVSA-N 0 1 239.363 3.280 20 0 BGADMN CCCN[C@@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000843189133 588089533 /nfs/dbraw/zinc/08/95/33/588089533.db2.gz KWEUPGPZRIZZBZ-ZJUUUORDSA-N 0 1 239.363 3.280 20 0 BGADMN CCCN[C@H](C)c1nc(-c2cc(C)oc2C)no1 ZINC000843223982 645271506 /nfs/dbraw/zinc/27/15/06/645271506.db2.gz HTJCPVGTTPMVLH-SECBINFHSA-N 0 1 249.314 3.007 20 0 BGADMN CCCN[C@@H](C)c1nc(-c2cc(C)oc2C)no1 ZINC000843223983 645272421 /nfs/dbraw/zinc/27/24/21/645272421.db2.gz HTJCPVGTTPMVLH-VIFPVBQESA-N 0 1 249.314 3.007 20 0 BGADMN CN(CCC(C)(C)C)Cc1cc(F)ncc1F ZINC000843425147 588108265 /nfs/dbraw/zinc/10/82/65/588108265.db2.gz FXMIOGBTXNPMSZ-UHFFFAOYSA-N 0 1 242.313 3.228 20 0 BGADMN Cc1cc(CN2CC3(CC=CC3)[C@@H]2C(C)C)no1 ZINC000843432096 588109370 /nfs/dbraw/zinc/10/93/70/588109370.db2.gz QMBSWEVXHTVIMZ-AWEZNQCLSA-N 0 1 246.354 3.160 20 0 BGADMN Cc1cc(CN2CC3(CC=CC3)[C@H]2C(C)C)no1 ZINC000843432097 588109303 /nfs/dbraw/zinc/10/93/03/588109303.db2.gz QMBSWEVXHTVIMZ-CQSZACIVSA-N 0 1 246.354 3.160 20 0 BGADMN Cc1cc(CN2C[C@@H](C)OC3(CCC3)C2)c(C)o1 ZINC000843432149 588108997 /nfs/dbraw/zinc/10/89/97/588108997.db2.gz IOLUCWDUHGAMAD-GFCCVEGCSA-N 0 1 249.354 3.040 20 0 BGADMN Cc1cc(CN2C[C@H](C)OC3(CCC3)C2)c(C)o1 ZINC000843432151 588108913 /nfs/dbraw/zinc/10/89/13/588108913.db2.gz IOLUCWDUHGAMAD-LBPRGKRZSA-N 0 1 249.354 3.040 20 0 BGADMN CN(Cc1ccnc(Cl)c1F)C(C)(C)C ZINC000843432622 588109114 /nfs/dbraw/zinc/10/91/14/588109114.db2.gz DSABXLXBDDZQHR-UHFFFAOYSA-N 0 1 230.714 3.104 20 0 BGADMN CCCONC(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC000844086008 588163953 /nfs/dbraw/zinc/16/39/53/588163953.db2.gz IOTRKFUCFWRLNA-GXTWGEPZSA-N 0 1 249.354 3.274 20 0 BGADMN CCCONC(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC000844086009 588163743 /nfs/dbraw/zinc/16/37/43/588163743.db2.gz IOTRKFUCFWRLNA-JSGCOSHPSA-N 0 1 249.354 3.274 20 0 BGADMN CCCONC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC000844086010 588163668 /nfs/dbraw/zinc/16/36/68/588163668.db2.gz IOTRKFUCFWRLNA-OCCSQVGLSA-N 0 1 249.354 3.274 20 0 BGADMN CCCONC(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC000844086011 588164134 /nfs/dbraw/zinc/16/41/34/588164134.db2.gz IOTRKFUCFWRLNA-TZMCWYRMSA-N 0 1 249.354 3.274 20 0 BGADMN Cc1cc(OCC=C(Cl)Cl)cc(C)n1 ZINC000844238935 588176691 /nfs/dbraw/zinc/17/66/91/588176691.db2.gz NAZJSCNFYCHRQH-UHFFFAOYSA-N 0 1 232.110 3.396 20 0 BGADMN O=C(OC1CCCC1)c1ccc(O)c(Cl)c1 ZINC000844256432 588177658 /nfs/dbraw/zinc/17/76/58/588177658.db2.gz ZOGQQOPUIAFEBV-UHFFFAOYSA-N 0 1 240.686 3.145 20 0 BGADMN C[C@H](CSc1ccccc1)N(C)CCF ZINC000844358880 588187520 /nfs/dbraw/zinc/18/75/20/588187520.db2.gz GLJXEFKMCGWJHV-LLVKDONJSA-N 0 1 227.348 3.069 20 0 BGADMN C[C@@H](CSc1ccccc1)N(C)CCF ZINC000844358883 588187452 /nfs/dbraw/zinc/18/74/52/588187452.db2.gz GLJXEFKMCGWJHV-NSHDSACASA-N 0 1 227.348 3.069 20 0 BGADMN c1ccc2[nH]c(CN3CCC34CCCC4)nc2c1 ZINC000844359724 645322842 /nfs/dbraw/zinc/32/28/42/645322842.db2.gz OTQYHLNKFUOLRU-UHFFFAOYSA-N 0 1 241.338 3.081 20 0 BGADMN CC[C@H]1CN(CCSC(C)(C)C)[C@H](C)CO1 ZINC000844389968 588189213 /nfs/dbraw/zinc/18/92/13/588189213.db2.gz BNRFGBWLIOGCAX-NEPJUHHUSA-N 0 1 245.432 3.017 20 0 BGADMN CC[C@@H]1CN(CCSC(C)(C)C)[C@@H](C)CO1 ZINC000844389969 588189090 /nfs/dbraw/zinc/18/90/90/588189090.db2.gz BNRFGBWLIOGCAX-NWDGAFQWSA-N 0 1 245.432 3.017 20 0 BGADMN CC[C@H]1CN(CCSC(C)(C)C)[C@@H](C)CO1 ZINC000844389970 588188949 /nfs/dbraw/zinc/18/89/49/588188949.db2.gz BNRFGBWLIOGCAX-RYUDHWBXSA-N 0 1 245.432 3.017 20 0 BGADMN CC[C@@H]1CN(CCSC(C)(C)C)[C@H](C)CO1 ZINC000844389971 588188838 /nfs/dbraw/zinc/18/88/38/588188838.db2.gz BNRFGBWLIOGCAX-VXGBXAGGSA-N 0 1 245.432 3.017 20 0 BGADMN FCCN1CCCC[C@@H]1Cc1ccccc1F ZINC000844413306 588190985 /nfs/dbraw/zinc/19/09/85/588190985.db2.gz GRBBNKICKYBTMX-CYBMUJFWSA-N 0 1 239.309 3.192 20 0 BGADMN FCCN1CCCC[C@H]1Cc1ccccc1F ZINC000844413336 588190971 /nfs/dbraw/zinc/19/09/71/588190971.db2.gz GRBBNKICKYBTMX-ZDUSSCGKSA-N 0 1 239.309 3.192 20 0 BGADMN CC(C)c1cnc(CNC2(C3CCC3)CC2)o1 ZINC000844415739 588191291 /nfs/dbraw/zinc/19/12/91/588191291.db2.gz FMLNSYMBFXCWAV-UHFFFAOYSA-N 0 1 234.343 3.220 20 0 BGADMN Clc1nc(CNC2(C3CCC3)CC2)cs1 ZINC000844417221 645328203 /nfs/dbraw/zinc/32/82/03/645328203.db2.gz HSPQJPHZVNYVJT-UHFFFAOYSA-N 0 1 242.775 3.219 20 0 BGADMN C[C@@H](NCc1csc(Cl)n1)C(C)(C)C ZINC000844447218 588194303 /nfs/dbraw/zinc/19/43/03/588194303.db2.gz QINVNSYSUVCPQF-SSDOTTSWSA-N 0 1 232.780 3.321 20 0 BGADMN C[C@H](c1cccc(F)c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449730 588195024 /nfs/dbraw/zinc/19/50/24/588195024.db2.gz DJMHBMBMKZGCTO-FXAINCCUSA-N 0 1 241.256 3.084 20 0 BGADMN C[C@@H](c1cccc(F)c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449732 588195110 /nfs/dbraw/zinc/19/51/10/588195110.db2.gz DJMHBMBMKZGCTO-KPXOXKRLSA-N 0 1 241.256 3.084 20 0 BGADMN C[C@H](c1ccccc1F)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450550 582589540 /nfs/dbraw/zinc/58/95/40/582589540.db2.gz HFXQHQWOTIMVCL-IEBDPFPHSA-N 0 1 241.256 3.084 20 0 BGADMN C[C@@H](c1ccccc1F)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450551 582589722 /nfs/dbraw/zinc/58/97/22/582589722.db2.gz HFXQHQWOTIMVCL-INTQDDNPSA-N 0 1 241.256 3.084 20 0 BGADMN FC1(F)[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC000844455239 588196224 /nfs/dbraw/zinc/19/62/24/588196224.db2.gz QMRXXDKPZIITKT-TXEJJXNPSA-N 0 1 249.260 3.130 20 0 BGADMN C[C@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455524 588196183 /nfs/dbraw/zinc/19/61/83/588196183.db2.gz VPFYFCGTQBUIMD-FXAINCCUSA-N 0 1 241.256 3.084 20 0 BGADMN C[C@@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455526 588196320 /nfs/dbraw/zinc/19/63/20/588196320.db2.gz VPFYFCGTQBUIMD-KPXOXKRLSA-N 0 1 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SQOIDNCZPDJYOF-UHFFFAOYSA-N 0 1 231.330 3.243 20 0 BGADMN Clc1nccc(CN[C@@H]2C=CCC2)c1Cl ZINC000850358297 588538926 /nfs/dbraw/zinc/53/89/26/588538926.db2.gz APLNTPTWVKVGPM-SECBINFHSA-N 0 1 243.137 3.197 20 0 BGADMN Clc1nccc(CN[C@H]2C=CCC2)c1Cl ZINC000850358298 588539323 /nfs/dbraw/zinc/53/93/23/588539323.db2.gz APLNTPTWVKVGPM-VIFPVBQESA-N 0 1 243.137 3.197 20 0 BGADMN CC(C)c1cnc(CN[C@H]2C=CCC2)s1 ZINC000850358370 588539493 /nfs/dbraw/zinc/53/94/93/588539493.db2.gz BZZYWZQCBSITSW-JTQLQIEISA-N 0 1 222.357 3.075 20 0 BGADMN CC(C)c1cnc(CN[C@@H]2C=CCC2)s1 ZINC000850358372 588539245 /nfs/dbraw/zinc/53/92/45/588539245.db2.gz BZZYWZQCBSITSW-SNVBAGLBSA-N 0 1 222.357 3.075 20 0 BGADMN Clc1cscc1CN[C@@H]1C=CCC1 ZINC000850358756 588539371 /nfs/dbraw/zinc/53/93/71/588539371.db2.gz KTEFPNZEHRCWSD-SECBINFHSA-N 0 1 213.733 3.210 20 0 BGADMN Clc1cscc1CN[C@H]1C=CCC1 ZINC000850358758 588539009 /nfs/dbraw/zinc/53/90/09/588539009.db2.gz KTEFPNZEHRCWSD-VIFPVBQESA-N 0 1 213.733 3.210 20 0 BGADMN COc1ccc(CN[C@@H]2C=CCC2)c(Cl)c1 ZINC000850358851 588539319 /nfs/dbraw/zinc/53/93/19/588539319.db2.gz YVJKDNBHJUCSCH-LLVKDONJSA-N 0 1 237.730 3.157 20 0 BGADMN COc1ccc(CN[C@H]2C=CCC2)c(Cl)c1 ZINC000850358852 588539496 /nfs/dbraw/zinc/53/94/96/588539496.db2.gz YVJKDNBHJUCSCH-NSHDSACASA-N 0 1 237.730 3.157 20 0 BGADMN C1=C[C@@H](NCc2coc(-c3ccccc3)n2)CC1 ZINC000850359017 588540009 /nfs/dbraw/zinc/54/00/09/588540009.db2.gz SQALBWYATYLKFB-CYBMUJFWSA-N 0 1 240.306 3.150 20 0 BGADMN C1=C[C@H](NCc2coc(-c3ccccc3)n2)CC1 ZINC000850359018 588539934 /nfs/dbraw/zinc/53/99/34/588539934.db2.gz SQALBWYATYLKFB-ZDUSSCGKSA-N 0 1 240.306 3.150 20 0 BGADMN CC(C)(C)c1cnc(CN[C@H]2C=CCC2)s1 ZINC000850359163 588539697 /nfs/dbraw/zinc/53/96/97/588539697.db2.gz YQGGKTUPRQTTSP-JTQLQIEISA-N 0 1 236.384 3.249 20 0 BGADMN CC(C)(C)c1cnc(CN[C@@H]2C=CCC2)s1 ZINC000850359164 588539964 /nfs/dbraw/zinc/53/99/64/588539964.db2.gz YQGGKTUPRQTTSP-SNVBAGLBSA-N 0 1 236.384 3.249 20 0 BGADMN Cc1cc(F)c(CN[C@H]2C=CCC2)c(F)c1 ZINC000850359373 588539914 /nfs/dbraw/zinc/53/99/14/588539914.db2.gz GBDDCMRDWUFNJK-JTQLQIEISA-N 0 1 223.266 3.081 20 0 BGADMN Cc1cc(F)c(CN[C@@H]2C=CCC2)c(F)c1 ZINC000850359374 588539710 /nfs/dbraw/zinc/53/97/10/588539710.db2.gz GBDDCMRDWUFNJK-SNVBAGLBSA-N 0 1 223.266 3.081 20 0 BGADMN Fc1c(CN[C@@H]2C=CCC2)cccc1OC1CC1 ZINC000850359719 588539898 /nfs/dbraw/zinc/53/98/98/588539898.db2.gz OWXSAQQKQKWVSE-GFCCVEGCSA-N 0 1 247.313 3.175 20 0 BGADMN Fc1c(CN[C@H]2C=CCC2)cccc1OC1CC1 ZINC000850359720 588539689 /nfs/dbraw/zinc/53/96/89/588539689.db2.gz OWXSAQQKQKWVSE-LBPRGKRZSA-N 0 1 247.313 3.175 20 0 BGADMN Cc1ccnc(NC[C@H]2CCCOC2)c1C1CC1 ZINC000850362410 588540543 /nfs/dbraw/zinc/54/05/43/588540543.db2.gz NINBUBLRHRERRK-GFCCVEGCSA-N 0 1 246.354 3.106 20 0 BGADMN Cc1ccnc(NC[C@@H]2CCCOC2)c1C1CC1 ZINC000850362411 588540506 /nfs/dbraw/zinc/54/05/06/588540506.db2.gz NINBUBLRHRERRK-LBPRGKRZSA-N 0 1 246.354 3.106 20 0 BGADMN O[C@H]1C[C@H](NCc2ccsc2)c2ccccc21 ZINC000850371363 588541054 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LUWMSMIXBBNQNP-MRVPVSSYSA-N 0 1 246.301 3.006 20 0 BGADMN CCc1nc(CN[C@@H](C)C(C)(C)C(F)F)co1 ZINC000850472676 588548868 /nfs/dbraw/zinc/54/88/68/588548868.db2.gz LUWMSMIXBBNQNP-QMMMGPOBSA-N 0 1 246.301 3.006 20 0 BGADMN CCc1nc(CN[C@H]2[C@@H]3CCC[C@@H]3C2(C)C)co1 ZINC000850472964 588548938 /nfs/dbraw/zinc/54/89/38/588548938.db2.gz RTRJXISANXFMSH-DYEKYZERSA-N 0 1 248.370 3.151 20 0 BGADMN CCc1nc(CN[C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)co1 ZINC000850472965 588549141 /nfs/dbraw/zinc/54/91/41/588549141.db2.gz RTRJXISANXFMSH-MBNYWOFBSA-N 0 1 248.370 3.151 20 0 BGADMN C[C@@H](N[C@@H]1C=CCC1)c1nc2c(s1)CCCC2 ZINC000850508489 588554281 /nfs/dbraw/zinc/55/42/81/588554281.db2.gz JEMDZOPSVIMMHE-GHMZBOCLSA-N 0 1 248.395 3.391 20 0 BGADMN C[C@@H](N[C@H]1C=CCC1)c1nc2c(s1)CCCC2 ZINC000850508490 588553959 /nfs/dbraw/zinc/55/39/59/588553959.db2.gz JEMDZOPSVIMMHE-MNOVXSKESA-N 0 1 248.395 3.391 20 0 BGADMN C[C@H](N[C@H]1C=CCC1)c1nc2c(s1)CCCC2 ZINC000850508491 588553995 /nfs/dbraw/zinc/55/39/95/588553995.db2.gz JEMDZOPSVIMMHE-QWRGUYRKSA-N 0 1 248.395 3.391 20 0 BGADMN C[C@H](N[C@@H]1C=CCC1)c1nc2c(s1)CCCC2 ZINC000850508492 588554013 /nfs/dbraw/zinc/55/40/13/588554013.db2.gz JEMDZOPSVIMMHE-WDEREUQCSA-N 0 1 248.395 3.391 20 0 BGADMN C[C@@H](N[C@@H]1C=CCC1)c1ccncc1Cl ZINC000850510174 588554598 /nfs/dbraw/zinc/55/45/98/588554598.db2.gz VUHCITOJDGCUKN-NXEZZACHSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@H](N[C@H]1C=CCC1)c1ccncc1Cl ZINC000850510175 588554541 /nfs/dbraw/zinc/55/45/41/588554541.db2.gz VUHCITOJDGCUKN-UWVGGRQHSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@H](N[C@@H]1C=CCC1)c1ccncc1Cl ZINC000850510176 588554497 /nfs/dbraw/zinc/55/44/97/588554497.db2.gz VUHCITOJDGCUKN-VHSXEESVSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@@H](N[C@H]1C=CCC1)c1ccncc1Cl ZINC000850510177 588554573 /nfs/dbraw/zinc/55/45/73/588554573.db2.gz VUHCITOJDGCUKN-ZJUUUORDSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@@H](N[C@@H]1C=CCC1)c1cccnc1Cl ZINC000850510373 588554494 /nfs/dbraw/zinc/55/44/94/588554494.db2.gz TYDYXSRZKDINFT-NXEZZACHSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@H](N[C@H]1C=CCC1)c1cccnc1Cl ZINC000850510374 588554922 /nfs/dbraw/zinc/55/49/22/588554922.db2.gz TYDYXSRZKDINFT-UWVGGRQHSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@H](N[C@@H]1C=CCC1)c1cccnc1Cl ZINC000850510375 588554723 /nfs/dbraw/zinc/55/47/23/588554723.db2.gz TYDYXSRZKDINFT-VHSXEESVSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@@H](N[C@H]1C=CCC1)c1cccnc1Cl ZINC000850510376 588554866 /nfs/dbraw/zinc/55/48/66/588554866.db2.gz TYDYXSRZKDINFT-ZJUUUORDSA-N 0 1 222.719 3.104 20 0 BGADMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccoc1 ZINC000850527577 588557147 /nfs/dbraw/zinc/55/71/47/588557147.db2.gz GYHPJDCTFNWXJY-COLVAYQJSA-N 0 1 243.306 3.109 20 0 BGADMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccoc1 ZINC000850527578 588557466 /nfs/dbraw/zinc/55/74/66/588557466.db2.gz GYHPJDCTFNWXJY-LKTVYLICSA-N 0 1 243.306 3.109 20 0 BGADMN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccoc1 ZINC000850527579 588557364 /nfs/dbraw/zinc/55/73/64/588557364.db2.gz GYHPJDCTFNWXJY-NZVBXONLSA-N 0 1 243.306 3.109 20 0 BGADMN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccoc1 ZINC000850527580 588557488 /nfs/dbraw/zinc/55/74/88/588557488.db2.gz GYHPJDCTFNWXJY-VQISRLSMSA-N 0 1 243.306 3.109 20 0 BGADMN C[C@H](NCC1=CCCC1)c1cccnc1Cl ZINC000850558158 588560620 /nfs/dbraw/zinc/56/06/20/588560620.db2.gz USMFTRMQLNRRAT-JTQLQIEISA-N 0 1 236.746 3.496 20 0 BGADMN C[C@@H](NCC1=CCCC1)c1cccnc1Cl ZINC000850558159 588560597 /nfs/dbraw/zinc/56/05/97/588560597.db2.gz USMFTRMQLNRRAT-SNVBAGLBSA-N 0 1 236.746 3.496 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@@H]1CC[C@@H]1C1CC1 ZINC000850572058 588561015 /nfs/dbraw/zinc/56/10/15/588561015.db2.gz GUDPWLWRDPTTHE-GHMZBOCLSA-N 0 1 231.330 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@H]1CC[C@@H]1C1CC1 ZINC000850572059 588561080 /nfs/dbraw/zinc/56/10/80/588561080.db2.gz GUDPWLWRDPTTHE-MNOVXSKESA-N 0 1 231.330 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@H]1CC[C@H]1C1CC1 ZINC000850572060 588561432 /nfs/dbraw/zinc/56/14/32/588561432.db2.gz GUDPWLWRDPTTHE-QWRGUYRKSA-N 0 1 231.330 3.446 20 0 BGADMN CC(C)(C)C(F)(F)CN[C@@H]1CC[C@H]1C1CC1 ZINC000850572061 588561317 /nfs/dbraw/zinc/56/13/17/588561317.db2.gz GUDPWLWRDPTTHE-WDEREUQCSA-N 0 1 231.330 3.446 20 0 BGADMN C[C@H](C[C@H]1CCOC1)NCC(F)(F)C(C)(C)C ZINC000850573019 588561134 /nfs/dbraw/zinc/56/11/34/588561134.db2.gz SITPRUIUWBCOPB-GHMZBOCLSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@H](C[C@@H]1CCOC1)NCC(F)(F)C(C)(C)C ZINC000850573021 588560991 /nfs/dbraw/zinc/56/09/91/588560991.db2.gz SITPRUIUWBCOPB-MNOVXSKESA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H](C[C@@H]1CCOC1)NCC(F)(F)C(C)(C)C ZINC000850573022 588561245 /nfs/dbraw/zinc/56/12/45/588561245.db2.gz SITPRUIUWBCOPB-QWRGUYRKSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H](C[C@H]1CCOC1)NCC(F)(F)C(C)(C)C ZINC000850573024 588561181 /nfs/dbraw/zinc/56/11/81/588561181.db2.gz SITPRUIUWBCOPB-WDEREUQCSA-N 0 1 249.345 3.073 20 0 BGADMN C[C@@H]1CC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000850573252 588560997 /nfs/dbraw/zinc/56/09/97/588560997.db2.gz XXRKWMWHEDFWHJ-BDAKNGLRSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H]1CC[C@H]1NCC(F)(F)C(C)(C)C ZINC000850573253 588559680 /nfs/dbraw/zinc/55/96/80/588559680.db2.gz XXRKWMWHEDFWHJ-DTWKUNHWSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@H]1CC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000850573254 588559781 /nfs/dbraw/zinc/55/97/81/588559781.db2.gz XXRKWMWHEDFWHJ-IUCAKERBSA-N 0 1 205.292 3.056 20 0 BGADMN C[C@@H]1CC[C@H]1NCC(F)(F)C(C)(C)C ZINC000850573255 588559939 /nfs/dbraw/zinc/55/99/39/588559939.db2.gz XXRKWMWHEDFWHJ-RKDXNWHRSA-N 0 1 205.292 3.056 20 0 BGADMN CCCCCC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000851708842 588615502 /nfs/dbraw/zinc/61/55/02/588615502.db2.gz MXTVTHKBJZHVCG-YNEHKIRRSA-N 0 1 241.375 3.140 20 0 BGADMN CCCCCC[C@@H](CC)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000851709421 588615505 /nfs/dbraw/zinc/61/55/05/588615505.db2.gz ONAZIPQYQCMUGQ-CHWSQXEVSA-N 0 1 243.391 3.388 20 0 BGADMN CCCCCC[C@H](CC)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000851709422 588615319 /nfs/dbraw/zinc/61/53/19/588615319.db2.gz ONAZIPQYQCMUGQ-OLZOCXBDSA-N 0 1 243.391 3.388 20 0 BGADMN CCCCCC[C@@H](CC)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000851709423 588615248 /nfs/dbraw/zinc/61/52/48/588615248.db2.gz ONAZIPQYQCMUGQ-QWHCGFSZSA-N 0 1 243.391 3.388 20 0 BGADMN CCCCCC[C@H](CC)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000851709424 588615416 /nfs/dbraw/zinc/61/54/16/588615416.db2.gz ONAZIPQYQCMUGQ-STQMWFEESA-N 0 1 243.391 3.388 20 0 BGADMN CCC(CC)CCC[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000851709829 588614888 /nfs/dbraw/zinc/61/48/88/588614888.db2.gz ZIDRGZUOHXBUAP-FMIVXFBMSA-N 0 1 241.375 3.166 20 0 BGADMN CCC(CC)CCC[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000851709830 588615066 /nfs/dbraw/zinc/61/50/66/588615066.db2.gz ZIDRGZUOHXBUAP-XFXZXTDPSA-N 0 1 241.375 3.166 20 0 BGADMN Cc1ccccc1CN(C)Cc1cccc(F)n1 ZINC000851712930 588615903 /nfs/dbraw/zinc/61/59/03/588615903.db2.gz VOTQHIQRACHQBK-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CCN(Cc1ccccc1)Cc1cccc(F)n1 ZINC000851715251 588615676 /nfs/dbraw/zinc/61/56/76/588615676.db2.gz ZBIFNDCGSOZFKY-UHFFFAOYSA-N 0 1 244.313 3.243 20 0 BGADMN CC(C)=CCCN1CCC[C@H]1c1cc(C)on1 ZINC000851716181 588616231 /nfs/dbraw/zinc/61/62/31/588616231.db2.gz KAPHZCFPRPDEFN-AWEZNQCLSA-N 0 1 234.343 3.476 20 0 BGADMN CC(C)=CCCN1CCC[C@@H]1c1cc(C)on1 ZINC000851716182 588616459 /nfs/dbraw/zinc/61/64/59/588616459.db2.gz KAPHZCFPRPDEFN-CQSZACIVSA-N 0 1 234.343 3.476 20 0 BGADMN CN(CC=C(Cl)Cl)C1CCCC1 ZINC000851717146 588616012 /nfs/dbraw/zinc/61/60/12/588616012.db2.gz IHVBDBGNOJUXQV-UHFFFAOYSA-N 0 1 208.132 3.180 20 0 BGADMN C[C@H](c1ccccc1)N(C)Cc1cccc(F)n1 ZINC000851717401 588616020 /nfs/dbraw/zinc/61/60/20/588616020.db2.gz RXDFCWXFFLHLGG-GFCCVEGCSA-N 0 1 244.313 3.414 20 0 BGADMN C[C@@H](c1ccccc1)N(C)Cc1cccc(F)n1 ZINC000851717402 588616271 /nfs/dbraw/zinc/61/62/71/588616271.db2.gz RXDFCWXFFLHLGG-LBPRGKRZSA-N 0 1 244.313 3.414 20 0 BGADMN Cc1ccc(CN(C)Cc2cccc(F)n2)cc1 ZINC000851718120 588616334 /nfs/dbraw/zinc/61/63/34/588616334.db2.gz DJXBFJMIVAGXCS-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CC1CCN(CC=C(Cl)Cl)CC1 ZINC000851718423 588616651 /nfs/dbraw/zinc/61/66/51/588616651.db2.gz KCACAVMGTAMOIZ-UHFFFAOYSA-N 0 1 208.132 3.037 20 0 BGADMN C[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000851718729 588616729 /nfs/dbraw/zinc/61/67/29/588616729.db2.gz PQMAVXWTIPYOOF-MRVPVSSYSA-N 0 1 208.132 3.037 20 0 BGADMN C[C@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000851718730 588616605 /nfs/dbraw/zinc/61/66/05/588616605.db2.gz PQMAVXWTIPYOOF-QMMMGPOBSA-N 0 1 208.132 3.037 20 0 BGADMN C[C@H](C1CC1)N(C)CC=C(Cl)Cl ZINC000851719956 588616560 /nfs/dbraw/zinc/61/65/60/588616560.db2.gz WVZGAHLULKPSHP-SSDOTTSWSA-N 0 1 208.132 3.036 20 0 BGADMN C[C@@H](C1CC1)N(C)CC=C(Cl)Cl ZINC000851719957 588616767 /nfs/dbraw/zinc/61/67/67/588616767.db2.gz WVZGAHLULKPSHP-ZETCQYMHSA-N 0 1 208.132 3.036 20 0 BGADMN CC(C)[C@@H](C)N(C)CC=C(Cl)Cl ZINC000851720067 588617016 /nfs/dbraw/zinc/61/70/16/588617016.db2.gz ZICPGPMSEZCJOZ-MRVPVSSYSA-N 0 1 210.148 3.282 20 0 BGADMN CC(C)[C@H](C)N(C)CC=C(Cl)Cl ZINC000851720068 588617264 /nfs/dbraw/zinc/61/72/64/588617264.db2.gz ZICPGPMSEZCJOZ-QMMMGPOBSA-N 0 1 210.148 3.282 20 0 BGADMN C[C@@H]1CCCCN1CC=C(Cl)Cl ZINC000851720348 588617006 /nfs/dbraw/zinc/61/70/06/588617006.db2.gz HEJMFNZQGBGXJT-MRVPVSSYSA-N 0 1 208.132 3.180 20 0 BGADMN C[C@H]1CCCCN1CC=C(Cl)Cl ZINC000851720349 588617396 /nfs/dbraw/zinc/61/73/96/588617396.db2.gz HEJMFNZQGBGXJT-QMMMGPOBSA-N 0 1 208.132 3.180 20 0 BGADMN CCC[C@@H](C)N(C)CC=C(Cl)Cl ZINC000851725194 588617716 /nfs/dbraw/zinc/61/77/16/588617716.db2.gz VRAVJMOUFLMTJY-MRVPVSSYSA-N 0 1 210.148 3.426 20 0 BGADMN CCC[C@H](C)N(C)CC=C(Cl)Cl ZINC000851725195 588617443 /nfs/dbraw/zinc/61/74/43/588617443.db2.gz VRAVJMOUFLMTJY-QMMMGPOBSA-N 0 1 210.148 3.426 20 0 BGADMN CC(C)CN(CC=C(Cl)Cl)C1CC1 ZINC000851725863 588617700 /nfs/dbraw/zinc/61/77/00/588617700.db2.gz HHZVWICUPNARFV-UHFFFAOYSA-N 0 1 222.159 3.426 20 0 BGADMN FC(F)OCCN1CCC[C@H]1c1ccsc1 ZINC000851726145 588618026 /nfs/dbraw/zinc/61/80/26/588618026.db2.gz LJMNXVUVSCOSKO-JTQLQIEISA-N 0 1 247.310 3.124 20 0 BGADMN FC(F)OCCN1CCC[C@@H]1c1ccsc1 ZINC000851726146 588618243 /nfs/dbraw/zinc/61/82/43/588618243.db2.gz LJMNXVUVSCOSKO-SNVBAGLBSA-N 0 1 247.310 3.124 20 0 BGADMN CCN(CC=C(Cl)Cl)CC(C)C ZINC000851726837 588618239 /nfs/dbraw/zinc/61/82/39/588618239.db2.gz XNGSUXMMSQYEBS-UHFFFAOYSA-N 0 1 210.148 3.283 20 0 BGADMN CCC1CCC(N(Cc2cnon2)C2CC2)CC1 ZINC000851729739 588618812 /nfs/dbraw/zinc/61/88/12/588618812.db2.gz GEISLVMIRNMRKI-UHFFFAOYSA-N 0 1 249.358 3.003 20 0 BGADMN C[C@H](c1ccccc1F)N(C)CCOC(F)F ZINC000851731331 588619341 /nfs/dbraw/zinc/61/93/41/588619341.db2.gz ZIKXABJKOWZXJO-SECBINFHSA-N 0 1 247.260 3.058 20 0 BGADMN C[C@@H](c1ccccc1F)N(C)CCOC(F)F ZINC000851731332 588619665 /nfs/dbraw/zinc/61/96/65/588619665.db2.gz ZIKXABJKOWZXJO-VIFPVBQESA-N 0 1 247.260 3.058 20 0 BGADMN CC(C)CCN(C)CC=C(Cl)Cl ZINC000851731863 633174576 /nfs/dbraw/zinc/17/45/76/633174576.db2.gz ZUTDGEWJJWSSIW-UHFFFAOYSA-N 0 1 210.148 3.283 20 0 BGADMN Cc1cccc(CN(C)Cc2cccc(F)n2)c1 ZINC000851732130 588619549 /nfs/dbraw/zinc/61/95/49/588619549.db2.gz JZLLZEPRMKOFCZ-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CN(CC=C(Cl)Cl)CC1CCCC1 ZINC000851739414 588615626 /nfs/dbraw/zinc/61/56/26/588615626.db2.gz KYGVTZZPENAZJD-UHFFFAOYSA-N 0 1 222.159 3.427 20 0 BGADMN c1nonc1CN1CCC[C@H]1CC1CCCCC1 ZINC000851739691 588620690 /nfs/dbraw/zinc/62/06/90/588620690.db2.gz FAFIXNBYEHFPLS-AWEZNQCLSA-N 0 1 249.358 3.004 20 0 BGADMN c1nonc1CN1CCC[C@@H]1CC1CCCCC1 ZINC000851739692 588621175 /nfs/dbraw/zinc/62/11/75/588621175.db2.gz FAFIXNBYEHFPLS-CQSZACIVSA-N 0 1 249.358 3.004 20 0 BGADMN CCC1(C)CCN(Cc2cccc(F)n2)CC1 ZINC000851746072 588621919 /nfs/dbraw/zinc/62/19/19/588621919.db2.gz PIWHAJBJLKUTIS-UHFFFAOYSA-N 0 1 236.334 3.233 20 0 BGADMN CN(CC=C(Cl)Cl)CC(C)(C)C ZINC000851747433 588622377 /nfs/dbraw/zinc/62/23/77/588622377.db2.gz HHZAYYKGLBJWLH-UHFFFAOYSA-N 0 1 210.148 3.283 20 0 BGADMN CC(C)(NCc1cccc(F)n1)c1ccccc1 ZINC000851749128 588622903 /nfs/dbraw/zinc/62/29/03/588622903.db2.gz AJZGIXKSTNQTKS-UHFFFAOYSA-N 0 1 244.313 3.246 20 0 BGADMN CCCN(CC=C(Cl)Cl)C1CC1 ZINC000851751935 588623678 /nfs/dbraw/zinc/62/36/78/588623678.db2.gz VENQDVXFNSBMET-UHFFFAOYSA-N 0 1 208.132 3.180 20 0 BGADMN CC1(C)CCCN1CC=C(Cl)Cl ZINC000851751950 588623782 /nfs/dbraw/zinc/62/37/82/588623782.db2.gz ZNZKVLATRJXBRK-UHFFFAOYSA-N 0 1 208.132 3.180 20 0 BGADMN CC[C@@H](C)CN(C)CC=C(Cl)Cl ZINC000851767075 588625232 /nfs/dbraw/zinc/62/52/32/588625232.db2.gz WFSOKWALTBFIKH-MRVPVSSYSA-N 0 1 210.148 3.283 20 0 BGADMN CC[C@H](C)CN(C)CC=C(Cl)Cl ZINC000851767076 588624944 /nfs/dbraw/zinc/62/49/44/588624944.db2.gz WFSOKWALTBFIKH-QMMMGPOBSA-N 0 1 210.148 3.283 20 0 BGADMN CCN(CC=C(Cl)Cl)CC1CC1 ZINC000851767709 588624939 /nfs/dbraw/zinc/62/49/39/588624939.db2.gz FWBLDWAMBRQONI-UHFFFAOYSA-N 0 1 208.132 3.037 20 0 BGADMN CCN(CC=C(Cl)Cl)C1CCC1 ZINC000851780460 588627434 /nfs/dbraw/zinc/62/74/34/588627434.db2.gz SDJTUXCUMWGUEF-UHFFFAOYSA-N 0 1 208.132 3.180 20 0 BGADMN CO[C@H](C)CN(CC=C(Cl)Cl)C(C)C ZINC000851782338 588628081 /nfs/dbraw/zinc/62/80/81/588628081.db2.gz QXESDXJFYMMSJO-SECBINFHSA-N 0 1 240.174 3.051 20 0 BGADMN CO[C@@H](C)CN(CC=C(Cl)Cl)C(C)C ZINC000851782339 588627679 /nfs/dbraw/zinc/62/76/79/588627679.db2.gz QXESDXJFYMMSJO-VIFPVBQESA-N 0 1 240.174 3.051 20 0 BGADMN CC(C)C1CCN(Cc2cccc(F)n2)CC1 ZINC000851784096 588628466 /nfs/dbraw/zinc/62/84/66/588628466.db2.gz GOJNQBSRLSRWRT-UHFFFAOYSA-N 0 1 236.334 3.089 20 0 BGADMN CC[C@@]1(C)CCCN(Cc2cccc(F)n2)C1 ZINC000851790406 588628642 /nfs/dbraw/zinc/62/86/42/588628642.db2.gz KEDWQEVPKYSATL-AWEZNQCLSA-N 0 1 236.334 3.233 20 0 BGADMN CC[C@]1(C)CCCN(Cc2cccc(F)n2)C1 ZINC000851790407 588628792 /nfs/dbraw/zinc/62/87/92/588628792.db2.gz KEDWQEVPKYSATL-CQSZACIVSA-N 0 1 236.334 3.233 20 0 BGADMN CC1(C)CCN(CC=C(Cl)Cl)C1 ZINC000851790923 588629189 /nfs/dbraw/zinc/62/91/89/588629189.db2.gz RUBKOPBICIXYLN-UHFFFAOYSA-N 0 1 208.132 3.037 20 0 BGADMN c1nonc1CN1CCCC2(C1)CCCCCC2 ZINC000851791154 588629240 /nfs/dbraw/zinc/62/92/40/588629240.db2.gz YQSKEABWYRFOIN-UHFFFAOYSA-N 0 1 249.358 3.006 20 0 BGADMN C[C@@H](N(C)CC=C(Cl)Cl)C1(C)CC1 ZINC000851806769 588631167 /nfs/dbraw/zinc/63/11/67/588631167.db2.gz WJNXISXLHBMJRZ-MRVPVSSYSA-N 0 1 222.159 3.426 20 0 BGADMN C[C@H](N(C)CC=C(Cl)Cl)C1(C)CC1 ZINC000851806770 588631443 /nfs/dbraw/zinc/63/14/43/588631443.db2.gz WJNXISXLHBMJRZ-QMMMGPOBSA-N 0 1 222.159 3.426 20 0 BGADMN ClC(Cl)=CCN1CCC2(CCC2)C1 ZINC000851808194 588631499 /nfs/dbraw/zinc/63/14/99/588631499.db2.gz MCHDBOAOBXIQAX-UHFFFAOYSA-N 0 1 220.143 3.181 20 0 BGADMN ClC(Cl)=CC[N@H+]1CCC2(CCC2)C1 ZINC000851808194 588631498 /nfs/dbraw/zinc/63/14/98/588631498.db2.gz MCHDBOAOBXIQAX-UHFFFAOYSA-N 0 1 220.143 3.181 20 0 BGADMN CC[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851808978 588632003 /nfs/dbraw/zinc/63/20/03/588632003.db2.gz SOGZZQHKUNHAHU-MRVPVSSYSA-N 0 1 208.132 3.037 20 0 BGADMN CC[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851808979 588632043 /nfs/dbraw/zinc/63/20/43/588632043.db2.gz SOGZZQHKUNHAHU-QMMMGPOBSA-N 0 1 208.132 3.037 20 0 BGADMN C[C@@H]1CC[C@@H](C)N1CC=C(Cl)Cl ZINC000851809098 588632058 /nfs/dbraw/zinc/63/20/58/588632058.db2.gz SOXLTWSKPNIZRL-HTQZYQBOSA-N 0 1 208.132 3.178 20 0 BGADMN C[C@@H]1CC[C@H](C)N1CC=C(Cl)Cl ZINC000851809099 588632071 /nfs/dbraw/zinc/63/20/71/588632071.db2.gz SOXLTWSKPNIZRL-OCAPTIKFSA-N 0 1 208.132 3.178 20 0 BGADMN C[C@H]1CC[C@H](C)N1CC=C(Cl)Cl ZINC000851809100 588631997 /nfs/dbraw/zinc/63/19/97/588631997.db2.gz SOXLTWSKPNIZRL-YUMQZZPRSA-N 0 1 208.132 3.178 20 0 BGADMN c1nonc1CN1CCC[C@H]1CCC1CCCC1 ZINC000851818227 588632937 /nfs/dbraw/zinc/63/29/37/588632937.db2.gz PIZVWXWTPCWVAD-AWEZNQCLSA-N 0 1 249.358 3.004 20 0 BGADMN c1nonc1CN1CCC[C@@H]1CCC1CCCC1 ZINC000851818228 588633114 /nfs/dbraw/zinc/63/31/14/588633114.db2.gz PIZVWXWTPCWVAD-CQSZACIVSA-N 0 1 249.358 3.004 20 0 BGADMN CSC[C@H]1CCCN1CC=C(Cl)Cl ZINC000851818599 588633542 /nfs/dbraw/zinc/63/35/42/588633542.db2.gz UNTTVUCHZCXIIP-MRVPVSSYSA-N 0 1 240.199 3.133 20 0 BGADMN CSC[C@@H]1CCCN1CC=C(Cl)Cl ZINC000851818600 588633314 /nfs/dbraw/zinc/63/33/14/588633314.db2.gz UNTTVUCHZCXIIP-QMMMGPOBSA-N 0 1 240.199 3.133 20 0 BGADMN CCC(C)(C)N(C)CC=C(Cl)Cl ZINC000851842832 588634401 /nfs/dbraw/zinc/63/44/01/588634401.db2.gz RAHZXFFQJUQKFO-UHFFFAOYSA-N 0 1 210.148 3.426 20 0 BGADMN CSCC[C@@H](C)N(C)CC=C(Cl)Cl ZINC000851844768 588634555 /nfs/dbraw/zinc/63/45/55/588634555.db2.gz CCWHRIMVOAVGGF-MRVPVSSYSA-N 0 1 242.215 3.379 20 0 BGADMN CSCC[C@H](C)N(C)CC=C(Cl)Cl ZINC000851844776 588634717 /nfs/dbraw/zinc/63/47/17/588634717.db2.gz CCWHRIMVOAVGGF-QMMMGPOBSA-N 0 1 242.215 3.379 20 0 BGADMN C[C@H](c1ccco1)N(CCOC(F)F)C1CC1 ZINC000851855036 588635412 /nfs/dbraw/zinc/63/54/12/588635412.db2.gz YTPYTPISMLFFGF-SECBINFHSA-N 0 1 245.269 3.044 20 0 BGADMN C[C@@H](c1ccco1)N(CCOC(F)F)C1CC1 ZINC000851855037 588635363 /nfs/dbraw/zinc/63/53/63/588635363.db2.gz YTPYTPISMLFFGF-VIFPVBQESA-N 0 1 245.269 3.044 20 0 BGADMN CN(CC=C(Cl)Cl)CCC1CC1 ZINC000851861367 588635694 /nfs/dbraw/zinc/63/56/94/588635694.db2.gz PROFVFNIFASSAK-UHFFFAOYSA-N 0 1 208.132 3.037 20 0 BGADMN FC(F)(F)[C@@H]1CCN(Cc2ccsc2)C1 ZINC000851876219 588638273 /nfs/dbraw/zinc/63/82/73/588638273.db2.gz ULSAGBNLEBDFNB-SECBINFHSA-N 0 1 235.274 3.132 20 0 BGADMN FC(F)(F)[C@H]1CCN(Cc2ccsc2)C1 ZINC000851876220 588638163 /nfs/dbraw/zinc/63/81/63/588638163.db2.gz ULSAGBNLEBDFNB-VIFPVBQESA-N 0 1 235.274 3.132 20 0 BGADMN c1c[nH]c([C@H]2CCCN2CCCC2CCC2)n1 ZINC000851886337 588640111 /nfs/dbraw/zinc/64/01/11/588640111.db2.gz FVAJWQWJPZJOTP-CYBMUJFWSA-N 0 1 233.359 3.127 20 0 BGADMN c1c[nH]c([C@@H]2CCCN2CCCC2CCC2)n1 ZINC000851886339 588639763 /nfs/dbraw/zinc/63/97/63/588639763.db2.gz FVAJWQWJPZJOTP-ZDUSSCGKSA-N 0 1 233.359 3.127 20 0 BGADMN CC(C)N(CC=C(Cl)Cl)C(C)C ZINC000851890125 588640773 /nfs/dbraw/zinc/64/07/73/588640773.db2.gz UGHAXQWHVIYHCM-UHFFFAOYSA-N 0 1 210.148 3.424 20 0 BGADMN CC[C@H](CSC)N(C)CC=C(Cl)Cl ZINC000851891873 588641289 /nfs/dbraw/zinc/64/12/89/588641289.db2.gz FJBNPXVQZOUVBG-MRVPVSSYSA-N 0 1 242.215 3.379 20 0 BGADMN CC[C@@H](CSC)N(C)CC=C(Cl)Cl ZINC000851891874 588641333 /nfs/dbraw/zinc/64/13/33/588641333.db2.gz FJBNPXVQZOUVBG-QMMMGPOBSA-N 0 1 242.215 3.379 20 0 BGADMN Cc1ccncc1[C@@H](C)NCC=C(Cl)Cl ZINC000851920991 588643899 /nfs/dbraw/zinc/64/38/99/588643899.db2.gz JIAUPDYSVJKQKV-SECBINFHSA-N 0 1 245.153 3.360 20 0 BGADMN Cc1ccncc1[C@H](C)NCC=C(Cl)Cl ZINC000851920992 588643907 /nfs/dbraw/zinc/64/39/07/588643907.db2.gz JIAUPDYSVJKQKV-VIFPVBQESA-N 0 1 245.153 3.360 20 0 BGADMN C[C@@H]1CCN(Cc2cccc(F)n2)CC1(C)C ZINC000851935336 588645903 /nfs/dbraw/zinc/64/59/03/588645903.db2.gz AXXSTSNSCJULAE-LLVKDONJSA-N 0 1 236.334 3.089 20 0 BGADMN C[C@H]1CCN(Cc2cccc(F)n2)CC1(C)C ZINC000851935338 588646064 /nfs/dbraw/zinc/64/60/64/588646064.db2.gz AXXSTSNSCJULAE-NSHDSACASA-N 0 1 236.334 3.089 20 0 BGADMN CCN(CC=C(Cl)Cl)CCC1CC1 ZINC000851937607 588645729 /nfs/dbraw/zinc/64/57/29/588645729.db2.gz VYMNLGNKAZFKLW-UHFFFAOYSA-N 0 1 222.159 3.427 20 0 BGADMN c1nonc1CN1CCCC2(CCCCC2)CC1 ZINC000851975548 588650788 /nfs/dbraw/zinc/65/07/88/588650788.db2.gz RYAYVXSAUFYIKF-UHFFFAOYSA-N 0 1 249.358 3.006 20 0 BGADMN C[C@@H]1CCSCCN1CC=C(Cl)Cl ZINC000851980521 588651181 /nfs/dbraw/zinc/65/11/81/588651181.db2.gz IGLBVEJIZMLHNF-MRVPVSSYSA-N 0 1 240.199 3.133 20 0 BGADMN C[C@H]1CCSCCN1CC=C(Cl)Cl ZINC000851980522 588650809 /nfs/dbraw/zinc/65/08/09/588650809.db2.gz IGLBVEJIZMLHNF-QMMMGPOBSA-N 0 1 240.199 3.133 20 0 BGADMN C[C@@H]1CCN(CC=C(Cl)Cl)CCS1 ZINC000851984946 588651326 /nfs/dbraw/zinc/65/13/26/588651326.db2.gz QPIAVAPUTVNTOQ-MRVPVSSYSA-N 0 1 240.199 3.133 20 0 BGADMN C[C@H]1CCN(CC=C(Cl)Cl)CCS1 ZINC000851984947 588651293 /nfs/dbraw/zinc/65/12/93/588651293.db2.gz QPIAVAPUTVNTOQ-QMMMGPOBSA-N 0 1 240.199 3.133 20 0 BGADMN ClC(Cl)=CCN1CCCC12CCC2 ZINC000851989456 588652734 /nfs/dbraw/zinc/65/27/34/588652734.db2.gz IPCSFAOXIXWYLN-UHFFFAOYSA-N 0 1 220.143 3.324 20 0 BGADMN CCN(CC=C(Cl)Cl)CC1CCC1 ZINC000852000977 588653944 /nfs/dbraw/zinc/65/39/44/588653944.db2.gz BIFLEWCFABBAFF-UHFFFAOYSA-N 0 1 222.159 3.427 20 0 BGADMN CN(CC=C(Cl)Cl)C1CC(C)(C)C1 ZINC000852160849 588668172 /nfs/dbraw/zinc/66/81/72/588668172.db2.gz HNMQXIIFSVYWQT-UHFFFAOYSA-N 0 1 222.159 3.426 20 0 BGADMN ClC(Cl)=CCN1CCC12CCCC2 ZINC000852209214 588672410 /nfs/dbraw/zinc/67/24/10/588672410.db2.gz MYOPBCRCKDCFCX-UHFFFAOYSA-N 0 1 220.143 3.324 20 0 BGADMN CCCN(CC=C(Cl)Cl)C(C)C ZINC000852215447 588673239 /nfs/dbraw/zinc/67/32/39/588673239.db2.gz IUKCOQBBZOEYIM-UHFFFAOYSA-N 0 1 210.148 3.426 20 0 BGADMN ClC1(Cl)C[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852218145 588673637 /nfs/dbraw/zinc/67/36/37/588673637.db2.gz FUHMROAGKRVLCZ-AEJSXWLSSA-N 0 1 234.170 3.055 20 0 BGADMN ClC1(Cl)C[C@H]1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852218246 588673716 /nfs/dbraw/zinc/67/37/16/588673716.db2.gz FUHMROAGKRVLCZ-GUBZILKMSA-N 0 1 234.170 3.055 20 0 BGADMN ClC1(Cl)C[C@H]1CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219415 588673722 /nfs/dbraw/zinc/67/37/22/588673722.db2.gz NQVIDMISMICVPA-AXFHLTTASA-N 0 1 248.197 3.445 20 0 BGADMN ClC1(Cl)C[C@@H]1CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219417 588673751 /nfs/dbraw/zinc/67/37/51/588673751.db2.gz NQVIDMISMICVPA-DCAQKATOSA-N 0 1 248.197 3.445 20 0 BGADMN CC[C@@H](C)N(CC)CC=C(Cl)Cl ZINC000852290429 588676233 /nfs/dbraw/zinc/67/62/33/588676233.db2.gz HXSRBJOVNHCBFW-MRVPVSSYSA-N 0 1 210.148 3.426 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC000852290429 588676232 /nfs/dbraw/zinc/67/62/32/588676232.db2.gz HXSRBJOVNHCBFW-MRVPVSSYSA-N 0 1 210.148 3.426 20 0 BGADMN CC[C@H](C)N(CC)CC=C(Cl)Cl ZINC000852290430 588676575 /nfs/dbraw/zinc/67/65/75/588676575.db2.gz HXSRBJOVNHCBFW-QMMMGPOBSA-N 0 1 210.148 3.426 20 0 BGADMN CC[C@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC000852290430 588676574 /nfs/dbraw/zinc/67/65/74/588676574.db2.gz HXSRBJOVNHCBFW-QMMMGPOBSA-N 0 1 210.148 3.426 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)CC1(Br)CC1 ZINC000852290454 588676339 /nfs/dbraw/zinc/67/63/39/588676339.db2.gz ILXRJJVDIAPNBT-SECBINFHSA-N 0 1 234.181 3.034 20 0 BGADMN CC[C@H](C)[N@@H+](CC)CC1(Br)CC1 ZINC000852290455 588676272 /nfs/dbraw/zinc/67/62/72/588676272.db2.gz ILXRJJVDIAPNBT-VIFPVBQESA-N 0 1 234.181 3.034 20 0 BGADMN CC[C@@H](C)[N@@H+](CC)Cc1cnc(Cl)c(F)c1 ZINC000852290671 588676376 /nfs/dbraw/zinc/67/63/76/588676376.db2.gz KREUOTRAMMPYSP-SECBINFHSA-N 0 1 244.741 3.495 20 0 BGADMN CC[C@H](C)[N@@H+](CC)Cc1cnc(Cl)c(F)c1 ZINC000852290678 588676567 /nfs/dbraw/zinc/67/65/67/588676567.db2.gz KREUOTRAMMPYSP-VIFPVBQESA-N 0 1 244.741 3.495 20 0 BGADMN CC[C@@H](C)N(CC)Cc1ncc(C)s1 ZINC000852291746 588676864 /nfs/dbraw/zinc/67/68/64/588676864.db2.gz YPXHYGCKJOUSRV-SECBINFHSA-N 0 1 212.362 3.072 20 0 BGADMN CC[C@H](C)N(CC)Cc1ncc(C)s1 ZINC000852291748 588677013 /nfs/dbraw/zinc/67/70/13/588677013.db2.gz YPXHYGCKJOUSRV-VIFPVBQESA-N 0 1 212.362 3.072 20 0 BGADMN CC[C@@H](C)N(CC)Cc1ncc(C(C)C)o1 ZINC000852294346 588676836 /nfs/dbraw/zinc/67/68/36/588676836.db2.gz YIGFHRCAOXQLOE-LLVKDONJSA-N 0 1 224.348 3.418 20 0 BGADMN CC[C@H](C)N(CC)Cc1ncc(C(C)C)o1 ZINC000852294347 588676624 /nfs/dbraw/zinc/67/66/24/588676624.db2.gz YIGFHRCAOXQLOE-NSHDSACASA-N 0 1 224.348 3.418 20 0 BGADMN CC(=O)CC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000852312060 588677943 /nfs/dbraw/zinc/67/79/43/588677943.db2.gz TWHQMWGAGVOVMA-UHFFFAOYSA-N 0 1 239.384 3.328 20 0 BGADMN CC(C)(C)N(CCF)Cc1ccsc1 ZINC000852312099 588677818 /nfs/dbraw/zinc/67/78/18/588677818.db2.gz VKXNHGUEWIOODO-UHFFFAOYSA-N 0 1 215.337 3.318 20 0 BGADMN CC(C)(C)[N@@H+](CCF)Cc1ccsc1 ZINC000852312099 588677817 /nfs/dbraw/zinc/67/78/17/588677817.db2.gz VKXNHGUEWIOODO-UHFFFAOYSA-N 0 1 215.337 3.318 20 0 BGADMN Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCF ZINC000852312737 588677927 /nfs/dbraw/zinc/67/79/27/588677927.db2.gz RULAHJGVJIOTBF-CYBMUJFWSA-N 0 1 221.319 3.410 20 0 BGADMN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCF ZINC000852312738 588678056 /nfs/dbraw/zinc/67/80/56/588678056.db2.gz RULAHJGVJIOTBF-ZDUSSCGKSA-N 0 1 221.319 3.410 20 0 BGADMN Cl/C=C\CN1CCC(c2ccco2)CC1 ZINC000852324966 588678862 /nfs/dbraw/zinc/67/88/62/588678862.db2.gz WKWBWZVONYRICX-KXFIGUGUSA-N 0 1 225.719 3.212 20 0 BGADMN Cl/C=C/CN1CCC(c2ccco2)CC1 ZINC000852324968 588678816 /nfs/dbraw/zinc/67/88/16/588678816.db2.gz WKWBWZVONYRICX-QHHAFSJGSA-N 0 1 225.719 3.212 20 0 BGADMN Cc1ccc2c(c1)CN(C/C=C\Cl)CC2 ZINC000852404785 588680774 /nfs/dbraw/zinc/68/07/74/588680774.db2.gz UUNMOCFEZLROEV-KXFIGUGUSA-N 0 1 221.731 3.106 20 0 BGADMN Cc1ccc2c(c1)CN(C/C=C/Cl)CC2 ZINC000852404798 588680767 /nfs/dbraw/zinc/68/07/67/588680767.db2.gz UUNMOCFEZLROEV-QHHAFSJGSA-N 0 1 221.731 3.106 20 0 BGADMN CC(=O)CCN1CCc2ccc(C(C)C)cc2C1 ZINC000852405918 588680794 /nfs/dbraw/zinc/68/07/94/588680794.db2.gz APUVTHQPYWJZFY-UHFFFAOYSA-N 0 1 245.366 3.147 20 0 BGADMN Fc1ccc(CN2CCC(C3CCC3)CC2)nc1 ZINC000852407744 588681023 /nfs/dbraw/zinc/68/10/23/588681023.db2.gz FRCMVCIVBDMDLV-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN Fc1cccc(CN2CCC(C3CCC3)CC2)n1 ZINC000852408020 588681144 /nfs/dbraw/zinc/68/11/44/588681144.db2.gz MRDVQTWYWQCIKL-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN CC(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852426812 645478648 /nfs/dbraw/zinc/47/86/48/645478648.db2.gz OOYYMJHKRYLHAM-AWEZNQCLSA-N 0 1 247.338 3.176 20 0 BGADMN CC(=O)CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852426813 645479298 /nfs/dbraw/zinc/47/92/98/645479298.db2.gz OOYYMJHKRYLHAM-CQSZACIVSA-N 0 1 247.338 3.176 20 0 BGADMN CCC1(CC)CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000852527251 588687565 /nfs/dbraw/zinc/68/75/65/588687565.db2.gz FKTGSWQLPDHSSL-UHFFFAOYSA-N 0 1 247.386 3.187 20 0 BGADMN CCC1(CC)CCC[N@@H+](Cc2cnoc2C)C1 ZINC000852527341 588687836 /nfs/dbraw/zinc/68/78/36/588687836.db2.gz GGJXNGGZVFGHEV-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN CCC1(CC)CCC[N@@H+](Cc2cc(C)nn2C)C1 ZINC000852528218 588687839 /nfs/dbraw/zinc/68/78/39/588687839.db2.gz RBIWKNWADDNBGY-UHFFFAOYSA-N 0 1 249.402 3.131 20 0 BGADMN CCC1(CC)CCCN(Cc2nccc(C)n2)C1 ZINC000852528647 588687960 /nfs/dbraw/zinc/68/79/60/588687960.db2.gz YGWHXCRBUGKBRG-UHFFFAOYSA-N 0 1 247.386 3.187 20 0 BGADMN CCC1(CC)CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000852528647 588687959 /nfs/dbraw/zinc/68/79/59/588687959.db2.gz YGWHXCRBUGKBRG-UHFFFAOYSA-N 0 1 247.386 3.187 20 0 BGADMN CCC1(CC)CCC[N@@H+](CCOC(F)F)C1 ZINC000852528695 588687962 /nfs/dbraw/zinc/68/79/62/588687962.db2.gz YSKAWEWZDWUYHW-UHFFFAOYSA-N 0 1 235.318 3.128 20 0 BGADMN FCC[C@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000852531851 588688144 /nfs/dbraw/zinc/68/81/44/588688144.db2.gz XJZXSUGJIBNZEZ-SECBINFHSA-N 0 1 240.149 3.377 20 0 BGADMN FCC[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000852531852 588688150 /nfs/dbraw/zinc/68/81/50/588688150.db2.gz XJZXSUGJIBNZEZ-VIFPVBQESA-N 0 1 240.149 3.377 20 0 BGADMN CC[C@@H](NCc1ncc(C(C)C)o1)C1CC1 ZINC000852555289 588690031 /nfs/dbraw/zinc/69/00/31/588690031.db2.gz OTFVGCQSOVRZLZ-LLVKDONJSA-N 0 1 222.332 3.076 20 0 BGADMN CC[C@H](NCc1ncc(C(C)C)o1)C1CC1 ZINC000852555290 588690002 /nfs/dbraw/zinc/69/00/02/588690002.db2.gz OTFVGCQSOVRZLZ-NSHDSACASA-N 0 1 222.332 3.076 20 0 BGADMN CC(=O)CCN(Cc1ccccc1F)CC1CC1 ZINC000852566817 588690905 /nfs/dbraw/zinc/69/09/05/588690905.db2.gz OYZYOEMIBGQQCN-UHFFFAOYSA-N 0 1 249.329 3.017 20 0 BGADMN CC[C@@H]1CC[C@@H](C)N(Cc2cscn2)C1 ZINC000852592424 588692451 /nfs/dbraw/zinc/69/24/51/588692451.db2.gz PKNGBYLKNWWSCO-GHMZBOCLSA-N 0 1 224.373 3.154 20 0 BGADMN O=C1CCCC12CCN(Cc1ccsc1)CC2 ZINC000852630230 588693054 /nfs/dbraw/zinc/69/30/54/588693054.db2.gz ACJKDGUZPFOUDI-UHFFFAOYSA-N 0 1 249.379 3.083 20 0 BGADMN CC(C)CC1(NCc2ncc(C(C)C)o2)CC1 ZINC000852682735 588695249 /nfs/dbraw/zinc/69/52/49/588695249.db2.gz KSMFJCNYTPHLGR-UHFFFAOYSA-N 0 1 236.359 3.466 20 0 BGADMN CC(C)CC1(NCc2csc(Cl)n2)CC1 ZINC000852683049 588695531 /nfs/dbraw/zinc/69/55/31/588695531.db2.gz QZVOFCHZIWXVCF-UHFFFAOYSA-N 0 1 244.791 3.465 20 0 BGADMN CCCCCCN1CCOc2ccc(O)cc2C1 ZINC000852689769 588696199 /nfs/dbraw/zinc/69/61/99/588696199.db2.gz KKVWRVOUNNMIOT-UHFFFAOYSA-N 0 1 249.354 3.167 20 0 BGADMN CCCCC[C@@H]1CCCCN1Cc1cnon1 ZINC000852710849 583016234 /nfs/dbraw/zinc/01/62/34/583016234.db2.gz ACJGJMNAJYGIGV-CYBMUJFWSA-N 0 1 237.347 3.004 20 0 BGADMN CCCCC[C@H]1CCCCN1Cc1cnon1 ZINC000852710852 583016013 /nfs/dbraw/zinc/01/60/13/583016013.db2.gz ACJGJMNAJYGIGV-ZDUSSCGKSA-N 0 1 237.347 3.004 20 0 BGADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cn1 ZINC000852712487 588697087 /nfs/dbraw/zinc/69/70/87/588697087.db2.gz QJBVLAWWIUDUHV-SMDDNHRTSA-N 0 1 236.334 3.374 20 0 BGADMN CC[C@@H]1CCC[C@H](C)N1Cc1cscn1 ZINC000852712872 588697620 /nfs/dbraw/zinc/69/76/20/588697620.db2.gz YIGQEBISIKBFKV-CMPLNLGQSA-N 0 1 224.373 3.296 20 0 BGADMN Fc1cccc(C[N@@H+](CCC2CC2)CC2CC2)n1 ZINC000852716047 588697745 /nfs/dbraw/zinc/69/77/45/588697745.db2.gz GSAVHCOMSAIUTE-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN CN(Cc1cccnc1Cl)C[C@H]1CC1(C)C ZINC000852771462 588701278 /nfs/dbraw/zinc/70/12/78/588701278.db2.gz FNOIZQSXGKLWKH-LLVKDONJSA-N 0 1 238.762 3.213 20 0 BGADMN CN(Cc1cccnc1Cl)C[C@@H]1CC1(C)C ZINC000852771463 588700957 /nfs/dbraw/zinc/70/09/57/588700957.db2.gz FNOIZQSXGKLWKH-NSHDSACASA-N 0 1 238.762 3.213 20 0 BGADMN CN(Cc1cnc(Cl)s1)C[C@H]1CC1(C)C ZINC000852771884 588701515 /nfs/dbraw/zinc/70/15/15/588701515.db2.gz JGJXOMJNUWKVFL-MRVPVSSYSA-N 0 1 244.791 3.274 20 0 BGADMN CN(Cc1cnc(Cl)s1)C[C@@H]1CC1(C)C ZINC000852771885 588701437 /nfs/dbraw/zinc/70/14/37/588701437.db2.gz JGJXOMJNUWKVFL-QMMMGPOBSA-N 0 1 244.791 3.274 20 0 BGADMN CC(C)c1cnc(CN(C)C[C@H]2CC2(C)C)o1 ZINC000852772585 588701666 /nfs/dbraw/zinc/70/16/66/588701666.db2.gz OPDICTFDROWPHZ-LLVKDONJSA-N 0 1 236.359 3.276 20 0 BGADMN CC(C)c1cnc(CN(C)C[C@@H]2CC2(C)C)o1 ZINC000852772587 588701753 /nfs/dbraw/zinc/70/17/53/588701753.db2.gz OPDICTFDROWPHZ-NSHDSACASA-N 0 1 236.359 3.276 20 0 BGADMN Cc1ccc(CN2CC3CC2(C)C3)c(Cl)n1 ZINC000852785615 588702474 /nfs/dbraw/zinc/70/24/74/588702474.db2.gz COELBWGSTIISAF-UHFFFAOYSA-N 0 1 236.746 3.028 20 0 BGADMN Cc1cc(CN2CC3CC2(C)C3)cc(Cl)n1 ZINC000852787485 588702512 /nfs/dbraw/zinc/70/25/12/588702512.db2.gz WTDVOKYXJHCICF-UHFFFAOYSA-N 0 1 236.746 3.028 20 0 BGADMN CCCCN(C)Cn1ncc(Cl)c1C1CC1 ZINC000853489664 588745702 /nfs/dbraw/zinc/74/57/02/588745702.db2.gz HJAYQTQAGSTPMU-UHFFFAOYSA-N 0 1 241.766 3.103 20 0 BGADMN CCCN(CC)Cn1ncc(Cl)c1C1CC1 ZINC000853492792 588745610 /nfs/dbraw/zinc/74/56/10/588745610.db2.gz BGVDTDRPCKZCLH-UHFFFAOYSA-N 0 1 241.766 3.103 20 0 BGADMN CCC(N)=NOCC[C@H]1CCc2ccccc21 ZINC000853656175 588752856 /nfs/dbraw/zinc/75/28/56/588752856.db2.gz JZBIKJCDHLVZCW-GFCCVEGCSA-N 0 1 232.327 3.015 20 0 BGADMN CCC(N)=NOCC[C@@H]1CCc2ccccc21 ZINC000853656177 588752667 /nfs/dbraw/zinc/75/26/67/588752667.db2.gz JZBIKJCDHLVZCW-LBPRGKRZSA-N 0 1 232.327 3.015 20 0 BGADMN CC(C)[C@@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000853664617 588753940 /nfs/dbraw/zinc/75/39/40/588753940.db2.gz RSAKXSBBYFTYBN-GFCCVEGCSA-N 0 1 249.354 3.057 20 0 BGADMN CC(C)[C@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000853664618 588753721 /nfs/dbraw/zinc/75/37/21/588753721.db2.gz RSAKXSBBYFTYBN-LBPRGKRZSA-N 0 1 249.354 3.057 20 0 BGADMN CSc1cccc(CON=C(N)C(C)C)c1 ZINC000853684651 588755965 /nfs/dbraw/zinc/75/59/65/588755965.db2.gz GQXOCZMPTYIYIU-UHFFFAOYSA-N 0 1 238.356 3.063 20 0 BGADMN CC(C)C(N)=NOCc1ccsc1Cl ZINC000853685353 588755730 /nfs/dbraw/zinc/75/57/30/588755730.db2.gz URZCZIAXUNTEJA-UHFFFAOYSA-N 0 1 232.736 3.056 20 0 BGADMN CC1=CC[C@@](C)(c2nc([C@H](N)C(C)C)no2)CC1 ZINC000854132941 588776124 /nfs/dbraw/zinc/77/61/24/588776124.db2.gz NPTAMITVSFXORB-BXUZGUMPSA-N 0 1 249.358 3.113 20 0 BGADMN CC1=CC[C@](C)(c2nc([C@@H](N)C(C)C)no2)CC1 ZINC000854132942 588776111 /nfs/dbraw/zinc/77/61/11/588776111.db2.gz NPTAMITVSFXORB-FZMZJTMJSA-N 0 1 249.358 3.113 20 0 BGADMN CC1=CC[C@](C)(c2nc([C@H](N)C(C)C)no2)CC1 ZINC000854132943 588776168 /nfs/dbraw/zinc/77/61/68/588776168.db2.gz NPTAMITVSFXORB-RISCZKNCSA-N 0 1 249.358 3.113 20 0 BGADMN CC1=CC[C@@](C)(c2nc([C@@H](N)C(C)C)no2)CC1 ZINC000854132944 588776065 /nfs/dbraw/zinc/77/60/65/588776065.db2.gz NPTAMITVSFXORB-SMDDNHRTSA-N 0 1 249.358 3.113 20 0 BGADMN CCCC[C@@](C)(F)c1nc([C@H](N)C(C)C)no1 ZINC000854133332 588776200 /nfs/dbraw/zinc/77/62/00/588776200.db2.gz YTPKNFZGAHHGGL-BXKDBHETSA-N 0 1 243.326 3.100 20 0 BGADMN CCCC[C@](C)(F)c1nc([C@@H](N)C(C)C)no1 ZINC000854133333 588776187 /nfs/dbraw/zinc/77/61/87/588776187.db2.gz YTPKNFZGAHHGGL-CABZTGNLSA-N 0 1 243.326 3.100 20 0 BGADMN CCCC[C@@](C)(F)c1nc([C@@H](N)C(C)C)no1 ZINC000854133334 588776239 /nfs/dbraw/zinc/77/62/39/588776239.db2.gz YTPKNFZGAHHGGL-JOYOIKCWSA-N 0 1 243.326 3.100 20 0 BGADMN CCCC[C@](C)(F)c1nc([C@H](N)C(C)C)no1 ZINC000854133335 588776325 /nfs/dbraw/zinc/77/63/25/588776325.db2.gz YTPKNFZGAHHGGL-SKDRFNHKSA-N 0 1 243.326 3.100 20 0 BGADMN CC[C@@H](NC)c1nc(-c2cc(C)cc(C)c2)no1 ZINC000854139143 588776681 /nfs/dbraw/zinc/77/66/81/588776681.db2.gz IHGIBTFAMHJQJV-GFCCVEGCSA-N 0 1 245.326 3.024 20 0 BGADMN CC[C@H](NC)c1nc(-c2cc(C)cc(C)c2)no1 ZINC000854139144 588776652 /nfs/dbraw/zinc/77/66/52/588776652.db2.gz IHGIBTFAMHJQJV-LBPRGKRZSA-N 0 1 245.326 3.024 20 0 BGADMN CC[C@H](NC)c1nc(-c2occc2C(C)C)no1 ZINC000854158888 588777199 /nfs/dbraw/zinc/77/71/99/588777199.db2.gz ILTZEJHHTIKHPP-JTQLQIEISA-N 0 1 249.314 3.124 20 0 BGADMN CC[C@@H](NC)c1nc(-c2occc2C(C)C)no1 ZINC000854158889 588776999 /nfs/dbraw/zinc/77/69/99/588776999.db2.gz ILTZEJHHTIKHPP-SNVBAGLBSA-N 0 1 249.314 3.124 20 0 BGADMN CC(C)c1nn(C)cc1-c1ccc2[nH]cnc2c1 ZINC000854174030 588778124 /nfs/dbraw/zinc/77/81/24/588778124.db2.gz ZGKOCEXDKSRKOV-UHFFFAOYSA-N 0 1 240.310 3.087 20 0 BGADMN CCC(CC)(CC)C(=O)NOc1ccccc1 ZINC000854535966 588791472 /nfs/dbraw/zinc/79/14/72/588791472.db2.gz CBHBPKMWAKGXDT-UHFFFAOYSA-N 0 1 235.327 3.313 20 0 BGADMN CC1(C(=O)NOc2ccccc2)CCCCC1 ZINC000854536423 583087805 /nfs/dbraw/zinc/08/78/05/583087805.db2.gz INPVSQFXFOYDRV-UHFFFAOYSA-N 0 1 233.311 3.067 20 0 BGADMN CC1=CC[C@](C)(C(=O)NOc2ccccc2)CC1 ZINC000854536611 588791379 /nfs/dbraw/zinc/79/13/79/588791379.db2.gz RVXUVCWTUUJHGJ-HNNXBMFYSA-N 0 1 245.322 3.233 20 0 BGADMN CC1=CC[C@@](C)(C(=O)NOc2ccccc2)CC1 ZINC000854536612 588791332 /nfs/dbraw/zinc/79/13/32/588791332.db2.gz RVXUVCWTUUJHGJ-OAHLLOKOSA-N 0 1 245.322 3.233 20 0 BGADMN CC(C)(C)C(C)(C)C(=O)NOc1ccccc1 ZINC000854536772 588791278 /nfs/dbraw/zinc/79/12/78/588791278.db2.gz VHIRBXYVTIMVCH-UHFFFAOYSA-N 0 1 235.327 3.169 20 0 BGADMN CC(C)CC(C)(C)C(=O)NOc1ccccc1 ZINC000854537195 588791815 /nfs/dbraw/zinc/79/18/15/588791815.db2.gz PUENXBOCKHSTQU-UHFFFAOYSA-N 0 1 235.327 3.169 20 0 BGADMN CCC1(C(=O)NOc2ccccc2)CCCCC1 ZINC000854537406 588791593 /nfs/dbraw/zinc/79/15/93/588791593.db2.gz SWTZIPGDIVAFTF-UHFFFAOYSA-N 0 1 247.338 3.457 20 0 BGADMN O=C(NOc1ccccc1)C1(C2CCC2)CCC1 ZINC000854537600 588791690 /nfs/dbraw/zinc/79/16/90/588791690.db2.gz QDSQEWBLFHIXDO-UHFFFAOYSA-N 0 1 245.322 3.067 20 0 BGADMN CCC[C@](C)(CC)C(=O)NOc1ccccc1 ZINC000854537636 588791645 /nfs/dbraw/zinc/79/16/45/588791645.db2.gz XOFKCCSQJYIRKB-AWEZNQCLSA-N 0 1 235.327 3.313 20 0 BGADMN CCC[C@@](C)(CC)C(=O)NOc1ccccc1 ZINC000854537637 588791503 /nfs/dbraw/zinc/79/15/03/588791503.db2.gz XOFKCCSQJYIRKB-CQSZACIVSA-N 0 1 235.327 3.313 20 0 BGADMN CCCC1(C(=O)NOc2ccccc2)CCC1 ZINC000854537650 588791643 /nfs/dbraw/zinc/79/16/43/588791643.db2.gz XYLCLKVKXVUNEU-UHFFFAOYSA-N 0 1 233.311 3.067 20 0 BGADMN Clc1cncc(CN2CCCC23CCC3)c1 ZINC000856739316 588875721 /nfs/dbraw/zinc/87/57/21/588875721.db2.gz YQDXDRZDCHAOFS-UHFFFAOYSA-N 0 1 236.746 3.254 20 0 BGADMN Cc1ccnc(NCC[C@@H]2CC2(Cl)Cl)c1 ZINC000856784928 588877497 /nfs/dbraw/zinc/87/74/97/588877497.db2.gz LPCBDLMUMSNKIF-SECBINFHSA-N 0 1 245.153 3.386 20 0 BGADMN Cc1ccnc(NCC[C@H]2CC2(Cl)Cl)c1 ZINC000856784936 588877447 /nfs/dbraw/zinc/87/74/47/588877447.db2.gz LPCBDLMUMSNKIF-VIFPVBQESA-N 0 1 245.153 3.386 20 0 BGADMN Cc1cccc(NCC[C@@H]2CC2(Cl)Cl)n1 ZINC000856785457 588877634 /nfs/dbraw/zinc/87/76/34/588877634.db2.gz PVZATFRJLMQJMZ-SECBINFHSA-N 0 1 245.153 3.386 20 0 BGADMN Cc1cccc(NCC[C@H]2CC2(Cl)Cl)n1 ZINC000856785458 588877370 /nfs/dbraw/zinc/87/73/70/588877370.db2.gz PVZATFRJLMQJMZ-VIFPVBQESA-N 0 1 245.153 3.386 20 0 BGADMN Cc1nccnc1CN1CCC(CC(C)C)CC1 ZINC000857025408 588883064 /nfs/dbraw/zinc/88/30/64/588883064.db2.gz GGVHBVMVHGVLFE-UHFFFAOYSA-N 0 1 247.386 3.043 20 0 BGADMN CCC(CC)N(CC)Cc1cn(C)nc1Cl ZINC000857047687 588884366 /nfs/dbraw/zinc/88/43/66/588884366.db2.gz DYFSHHPCLCRTNJ-UHFFFAOYSA-N 0 1 243.782 3.084 20 0 BGADMN CCC(CC)[N@@H+](CC)Cc1cn(C)nc1Cl ZINC000857047687 588884365 /nfs/dbraw/zinc/88/43/65/588884365.db2.gz DYFSHHPCLCRTNJ-UHFFFAOYSA-N 0 1 243.782 3.084 20 0 BGADMN CCCC[C@H](C)N(C)Cc1cn(C)nc1Cl ZINC000857048587 588884051 /nfs/dbraw/zinc/88/40/51/588884051.db2.gz KWJUALVBHMFDBX-JTQLQIEISA-N 0 1 243.782 3.084 20 0 BGADMN CCCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857048587 588884049 /nfs/dbraw/zinc/88/40/49/588884049.db2.gz KWJUALVBHMFDBX-JTQLQIEISA-N 0 1 243.782 3.084 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1cn(C)nc1Cl ZINC000857048588 588884235 /nfs/dbraw/zinc/88/42/35/588884235.db2.gz KWJUALVBHMFDBX-SNVBAGLBSA-N 0 1 243.782 3.084 20 0 BGADMN CCCC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857048588 588884234 /nfs/dbraw/zinc/88/42/34/588884234.db2.gz KWJUALVBHMFDBX-SNVBAGLBSA-N 0 1 243.782 3.084 20 0 BGADMN CCCc1ccc(CN2CC3(CC3)C2)s1 ZINC000857049125 583131473 /nfs/dbraw/zinc/13/14/73/583131473.db2.gz QOAPLZFKUYHDQO-UHFFFAOYSA-N 0 1 221.369 3.296 20 0 BGADMN CC1(c2ccccc2)CN(Cc2ccoc2)C1 ZINC000857057801 588884871 /nfs/dbraw/zinc/88/48/71/588884871.db2.gz DTSCJXARUDMFLS-UHFFFAOYSA-N 0 1 227.307 3.053 20 0 BGADMN c1cc(CN2CC(Cc3ccsc3)C2)co1 ZINC000857068014 588885685 /nfs/dbraw/zinc/88/56/85/588885685.db2.gz KQHJERNCFUAGQW-UHFFFAOYSA-N 0 1 233.336 3.016 20 0 BGADMN Cc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857858896 588914043 /nfs/dbraw/zinc/91/40/43/588914043.db2.gz BKXXNPQSINJNFN-CYBMUJFWSA-N 0 1 227.311 3.208 20 0 BGADMN Cc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000857858898 588914200 /nfs/dbraw/zinc/91/42/00/588914200.db2.gz BKXXNPQSINJNFN-ZDUSSCGKSA-N 0 1 227.311 3.208 20 0 BGADMN Cc1cccc(N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857860684 588914319 /nfs/dbraw/zinc/91/43/19/588914319.db2.gz MSKPBTPSHWZSIJ-CYBMUJFWSA-N 0 1 227.311 3.208 20 0 BGADMN Cc1cccc(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000857860685 588914371 /nfs/dbraw/zinc/91/43/71/588914371.db2.gz MSKPBTPSHWZSIJ-ZDUSSCGKSA-N 0 1 227.311 3.208 20 0 BGADMN Cc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1F ZINC000857861058 588915250 /nfs/dbraw/zinc/91/52/50/588915250.db2.gz QCPQVPGKRDROLL-CYBMUJFWSA-N 0 1 245.301 3.347 20 0 BGADMN Cc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1F ZINC000857861059 588915134 /nfs/dbraw/zinc/91/51/34/588915134.db2.gz QCPQVPGKRDROLL-ZDUSSCGKSA-N 0 1 245.301 3.347 20 0 BGADMN Fc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857861060 588914760 /nfs/dbraw/zinc/91/47/60/588914760.db2.gz QDDRTTHMLGSQHT-GFCCVEGCSA-N 0 1 231.274 3.038 20 0 BGADMN Fc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000857861061 588914851 /nfs/dbraw/zinc/91/48/51/588914851.db2.gz QDDRTTHMLGSQHT-LBPRGKRZSA-N 0 1 231.274 3.038 20 0 BGADMN Cc1cscc1N[C@H]1CCCc2cn[nH]c21 ZINC000857861101 588915193 /nfs/dbraw/zinc/91/51/93/588915193.db2.gz NJTNNSONMFAHJU-JTQLQIEISA-N 0 1 233.340 3.269 20 0 BGADMN Cc1cscc1N[C@@H]1CCCc2cn[nH]c21 ZINC000857861102 588914277 /nfs/dbraw/zinc/91/42/77/588914277.db2.gz NJTNNSONMFAHJU-SNVBAGLBSA-N 0 1 233.340 3.269 20 0 BGADMN Fc1ccc(N[C@@H]2CCCc3cn[nH]c32)cc1F ZINC000857861404 588914696 /nfs/dbraw/zinc/91/46/96/588914696.db2.gz QILFHYGAQYKNLC-GFCCVEGCSA-N 0 1 249.264 3.177 20 0 BGADMN Fc1ccc(N[C@H]2CCCc3cn[nH]c32)cc1F ZINC000857861406 588914750 /nfs/dbraw/zinc/91/47/50/588914750.db2.gz QILFHYGAQYKNLC-LBPRGKRZSA-N 0 1 249.264 3.177 20 0 BGADMN Cc1ccc(F)c(N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857863127 588914700 /nfs/dbraw/zinc/91/47/00/588914700.db2.gz QNWJCCIATBCQAR-GFCCVEGCSA-N 0 1 245.301 3.347 20 0 BGADMN Cc1ccc(F)c(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000857863128 588914973 /nfs/dbraw/zinc/91/49/73/588914973.db2.gz QNWJCCIATBCQAR-LBPRGKRZSA-N 0 1 245.301 3.347 20 0 BGADMN Cc1ccc(N[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000857864112 588914878 /nfs/dbraw/zinc/91/48/78/588914878.db2.gz ZMXIGZKMBYDVTF-CYBMUJFWSA-N 0 1 245.301 3.347 20 0 BGADMN Cc1ccc(N[C@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000857864114 588915089 /nfs/dbraw/zinc/91/50/89/588915089.db2.gz ZMXIGZKMBYDVTF-ZDUSSCGKSA-N 0 1 245.301 3.347 20 0 BGADMN CCC(C)(C)CCN1Cc2ccncc2C1 ZINC000857875746 588913642 /nfs/dbraw/zinc/91/36/42/588913642.db2.gz APGZBJPLYYVKHG-UHFFFAOYSA-N 0 1 218.344 3.224 20 0 BGADMN CC1CCC(CN2Cc3ccncc3C2)CC1 ZINC000857879306 588919486 /nfs/dbraw/zinc/91/94/86/588919486.db2.gz ZMVYVHUMLYMANN-UHFFFAOYSA-N 0 1 230.355 3.224 20 0 BGADMN c1ccc2c(c1)CC[C@@H]2N1Cc2ccncc2C1 ZINC000857879935 588919457 /nfs/dbraw/zinc/91/94/57/588919457.db2.gz WKQCHHDMMYLHKE-INIZCTEOSA-N 0 1 236.318 3.085 20 0 BGADMN c1ccc2c(c1)CC[C@H]2N1Cc2ccncc2C1 ZINC000857879936 588919340 /nfs/dbraw/zinc/91/93/40/588919340.db2.gz WKQCHHDMMYLHKE-MRXNPFEDSA-N 0 1 236.318 3.085 20 0 BGADMN C[C@@H]1CCCC[C@@H]1CN1Cc2ccncc2C1 ZINC000857881930 588919964 /nfs/dbraw/zinc/91/99/64/588919964.db2.gz KESMYPPGYBUKQM-CHWSQXEVSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@@H]1CCCC[C@H]1CN1Cc2ccncc2C1 ZINC000857881932 588920041 /nfs/dbraw/zinc/92/00/41/588920041.db2.gz KESMYPPGYBUKQM-OLZOCXBDSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@H]1CCCC[C@@H]1CN1Cc2ccncc2C1 ZINC000857881934 588920003 /nfs/dbraw/zinc/92/00/03/588920003.db2.gz KESMYPPGYBUKQM-QWHCGFSZSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@H]1CCCC[C@H]1CN1Cc2ccncc2C1 ZINC000857881936 588920021 /nfs/dbraw/zinc/92/00/21/588920021.db2.gz KESMYPPGYBUKQM-STQMWFEESA-N 0 1 230.355 3.224 20 0 BGADMN CC(C)(CCN1Cc2ccncc2C1)C1CC1 ZINC000857882291 588919853 /nfs/dbraw/zinc/91/98/53/588919853.db2.gz QCIFBXQWXWVILP-UHFFFAOYSA-N 0 1 230.355 3.224 20 0 BGADMN C[C@@H](NCc1ccnc(F)c1)c1cccs1 ZINC000858087825 588931503 /nfs/dbraw/zinc/93/15/03/588931503.db2.gz UGXGVCGUUIBXBD-SECBINFHSA-N 0 1 236.315 3.133 20 0 BGADMN C[C@H](NCc1ccnc(F)c1)c1cccs1 ZINC000858087827 588931468 /nfs/dbraw/zinc/93/14/68/588931468.db2.gz UGXGVCGUUIBXBD-VIFPVBQESA-N 0 1 236.315 3.133 20 0 BGADMN CCc1ccc(CNCc2ccnc(F)c2)cc1 ZINC000858115230 645671414 /nfs/dbraw/zinc/67/14/14/645671414.db2.gz APVXPGBDSSWPAR-UHFFFAOYSA-N 0 1 244.313 3.073 20 0 BGADMN Cc1cc([C@H](C)NCc2ccnc(F)c2)c(C)o1 ZINC000858115249 645671658 /nfs/dbraw/zinc/67/16/58/645671658.db2.gz BGGBQUGTOUFNMS-JTQLQIEISA-N 0 1 248.301 3.281 20 0 BGADMN Cc1cc([C@@H](C)NCc2ccnc(F)c2)c(C)o1 ZINC000858115250 645671701 /nfs/dbraw/zinc/67/17/01/645671701.db2.gz BGGBQUGTOUFNMS-SNVBAGLBSA-N 0 1 248.301 3.281 20 0 BGADMN CCc1cccc(CNCc2ccnc(F)c2)c1 ZINC000858184911 588937590 /nfs/dbraw/zinc/93/75/90/588937590.db2.gz WVMYDOGYUIUHTC-UHFFFAOYSA-N 0 1 244.313 3.073 20 0 BGADMN CCc1ccc(C)nc1NCc1ccnc(F)c1 ZINC000858188984 643071162 /nfs/dbraw/zinc/07/11/62/643071162.db2.gz XOFORDNHWLVGHJ-UHFFFAOYSA-N 0 1 245.301 3.099 20 0 BGADMN c1cc(CN[C@H](c2ccccn2)C2CCC2)co1 ZINC000858239664 588940488 /nfs/dbraw/zinc/94/04/88/588940488.db2.gz UWMSPYQBBBIGCL-HNNXBMFYSA-N 0 1 242.322 3.306 20 0 BGADMN c1cc(CN[C@@H](c2ccccn2)C2CCC2)co1 ZINC000858239665 588940525 /nfs/dbraw/zinc/94/05/25/588940525.db2.gz UWMSPYQBBBIGCL-OAHLLOKOSA-N 0 1 242.322 3.306 20 0 BGADMN C/C=C\CNCc1ccnc(Cl)c1Cl ZINC000858291155 588942370 /nfs/dbraw/zinc/94/23/70/588942370.db2.gz OXHMJYUHUIYYSZ-IHWYPQMZSA-N 0 1 231.126 3.054 20 0 BGADMN C/C=C/CNCc1ccnc(Cl)c1Cl ZINC000858291156 588942385 /nfs/dbraw/zinc/94/23/85/588942385.db2.gz OXHMJYUHUIYYSZ-NSCUHMNNSA-N 0 1 231.126 3.054 20 0 BGADMN CCC(F)(F)CN[C@@H]1CC[C@@H]1C(C)C ZINC000858507530 588961332 /nfs/dbraw/zinc/96/13/32/588961332.db2.gz OQDOHBYFQAWGSE-NXEZZACHSA-N 0 1 205.292 3.056 20 0 BGADMN CCC(F)(F)CN[C@H]1CC[C@H]1C(C)C ZINC000858507531 588961246 /nfs/dbraw/zinc/96/12/46/588961246.db2.gz OQDOHBYFQAWGSE-UWVGGRQHSA-N 0 1 205.292 3.056 20 0 BGADMN CCC(F)(F)CN[C@@H]1CC[C@H]1C(C)C ZINC000858507532 588961348 /nfs/dbraw/zinc/96/13/48/588961348.db2.gz OQDOHBYFQAWGSE-VHSXEESVSA-N 0 1 205.292 3.056 20 0 BGADMN CCC(F)(F)CN[C@H]1CC[C@@H]1C(C)C ZINC000858507533 588961340 /nfs/dbraw/zinc/96/13/40/588961340.db2.gz OQDOHBYFQAWGSE-ZJUUUORDSA-N 0 1 205.292 3.056 20 0 BGADMN Cc1cncc([C@@H](C)N[C@H](C)c2ccns2)c1 ZINC000858575526 582468429 /nfs/dbraw/zinc/46/84/29/582468429.db2.gz ACIXFSLWZJOQIM-GHMZBOCLSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1cncc([C@@H](C)N[C@@H](C)c2ccns2)c1 ZINC000858575527 582468160 /nfs/dbraw/zinc/46/81/60/582468160.db2.gz ACIXFSLWZJOQIM-MNOVXSKESA-N 0 1 247.367 3.258 20 0 BGADMN Cc1cncc([C@H](C)N[C@@H](C)c2ccns2)c1 ZINC000858575528 582468120 /nfs/dbraw/zinc/46/81/20/582468120.db2.gz ACIXFSLWZJOQIM-QWRGUYRKSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1cncc([C@H](C)N[C@H](C)c2ccns2)c1 ZINC000858575529 582468093 /nfs/dbraw/zinc/46/80/93/582468093.db2.gz ACIXFSLWZJOQIM-WDEREUQCSA-N 0 1 247.367 3.258 20 0 BGADMN CC[C@@H](N[C@@H](C)c1ccns1)c1ccncc1 ZINC000858576994 588968101 /nfs/dbraw/zinc/96/81/01/588968101.db2.gz OOSZVSYURVQVHT-CMPLNLGQSA-N 0 1 247.367 3.340 20 0 BGADMN CC[C@H](N[C@@H](C)c1ccns1)c1ccncc1 ZINC000858576995 588968253 /nfs/dbraw/zinc/96/82/53/588968253.db2.gz OOSZVSYURVQVHT-JQWIXIFHSA-N 0 1 247.367 3.340 20 0 BGADMN CC[C@H](N[C@H](C)c1ccns1)c1ccncc1 ZINC000858576996 588968379 /nfs/dbraw/zinc/96/83/79/588968379.db2.gz OOSZVSYURVQVHT-PWSUYJOCSA-N 0 1 247.367 3.340 20 0 BGADMN CC[C@@H](N[C@H](C)c1ccns1)c1ccncc1 ZINC000858576997 582468548 /nfs/dbraw/zinc/46/85/48/582468548.db2.gz OOSZVSYURVQVHT-ZYHUDNBSSA-N 0 1 247.367 3.340 20 0 BGADMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccns1 ZINC000858577103 588968339 /nfs/dbraw/zinc/96/83/39/588968339.db2.gz OYJGHDDGYHDYLN-GHMZBOCLSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccns1 ZINC000858577104 588968298 /nfs/dbraw/zinc/96/82/98/588968298.db2.gz OYJGHDDGYHDYLN-MNOVXSKESA-N 0 1 247.367 3.258 20 0 BGADMN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccns1 ZINC000858577105 588968180 /nfs/dbraw/zinc/96/81/80/588968180.db2.gz OYJGHDDGYHDYLN-QWRGUYRKSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1ccncc1[C@H](C)N[C@H](C)c1ccns1 ZINC000858577106 588968137 /nfs/dbraw/zinc/96/81/37/588968137.db2.gz OYJGHDDGYHDYLN-WDEREUQCSA-N 0 1 247.367 3.258 20 0 BGADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccns1 ZINC000858579965 588968708 /nfs/dbraw/zinc/96/87/08/588968708.db2.gz ZPSGEPDIRJVGIE-BQBZGAKWSA-N 0 1 238.278 3.135 20 0 BGADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccns1 ZINC000858579966 588968835 /nfs/dbraw/zinc/96/88/35/588968835.db2.gz ZPSGEPDIRJVGIE-NKWVEPMBSA-N 0 1 238.278 3.135 20 0 BGADMN C[C@H](CC(F)(F)F)N[C@H](C)c1ccns1 ZINC000858579967 588968641 /nfs/dbraw/zinc/96/86/41/588968641.db2.gz ZPSGEPDIRJVGIE-RNFRBKRXSA-N 0 1 238.278 3.135 20 0 BGADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccns1 ZINC000858579968 588968653 /nfs/dbraw/zinc/96/86/53/588968653.db2.gz ZPSGEPDIRJVGIE-RQJHMYQMSA-N 0 1 238.278 3.135 20 0 BGADMN CCN(Cc1ccccc1)Cc1ccnc(F)c1 ZINC000859054080 588994664 /nfs/dbraw/zinc/99/46/64/588994664.db2.gz RMCYYWNEURSAQY-UHFFFAOYSA-N 0 1 244.313 3.243 20 0 BGADMN Cc1ccccc1CN(C)Cc1ccnc(F)c1 ZINC000859056805 588994983 /nfs/dbraw/zinc/99/49/83/588994983.db2.gz ZZQARFUVXLYLHQ-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN C[C@H](c1ccccc1)N(C)Cc1ccnc(F)c1 ZINC000859058667 588995471 /nfs/dbraw/zinc/99/54/71/588995471.db2.gz DGIBGBFRGIARAG-GFCCVEGCSA-N 0 1 244.313 3.414 20 0 BGADMN C[C@@H](c1ccccc1)N(C)Cc1ccnc(F)c1 ZINC000859058668 588995526 /nfs/dbraw/zinc/99/55/26/588995526.db2.gz DGIBGBFRGIARAG-LBPRGKRZSA-N 0 1 244.313 3.414 20 0 BGADMN Cc1ccc(CN(C)Cc2ccnc(F)c2)cc1 ZINC000859063938 588996181 /nfs/dbraw/zinc/99/61/81/588996181.db2.gz ZXAKMHFVJIOASO-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccnc(F)c2)C1 ZINC000859076421 588997721 /nfs/dbraw/zinc/99/77/21/588997721.db2.gz IIONRMUIFVVFMP-AAEUAGOBSA-N 0 1 236.334 3.231 20 0 BGADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccnc(F)c2)C1 ZINC000859076423 588997888 /nfs/dbraw/zinc/99/78/88/588997888.db2.gz IIONRMUIFVVFMP-DGCLKSJQSA-N 0 1 236.334 3.231 20 0 BGADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccnc(F)c2)C1 ZINC000859076424 588997664 /nfs/dbraw/zinc/99/76/64/588997664.db2.gz IIONRMUIFVVFMP-WCQYABFASA-N 0 1 236.334 3.231 20 0 BGADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccnc(F)c2)C1 ZINC000859076426 588997745 /nfs/dbraw/zinc/99/77/45/588997745.db2.gz IIONRMUIFVVFMP-YPMHNXCESA-N 0 1 236.334 3.231 20 0 BGADMN CC(C)[C@@H](C)[N@@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859077091 588997991 /nfs/dbraw/zinc/99/79/91/588997991.db2.gz MSXDSBGTYJFDGV-LLVKDONJSA-N 0 1 236.334 3.230 20 0 BGADMN CC(C)[C@H](C)[N@@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859077093 588998334 /nfs/dbraw/zinc/99/83/34/588998334.db2.gz MSXDSBGTYJFDGV-NSHDSACASA-N 0 1 236.334 3.230 20 0 BGADMN Cc1cccc(CN(C)Cc2ccnc(F)c2)c1 ZINC000859082261 588998801 /nfs/dbraw/zinc/99/88/01/588998801.db2.gz SFIFXWUXYNXKPK-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CCN(Cc1cc(O)ccc1Cl)C(C)C ZINC000859087352 588999107 /nfs/dbraw/zinc/99/91/07/588999107.db2.gz DOJKAFQOXKLBHH-UHFFFAOYSA-N 0 1 227.735 3.276 20 0 BGADMN C[C@@H]1C[C@@H]1CN1CCn2c(Cl)ccc2[C@@H]1C ZINC000859210170 582486206 /nfs/dbraw/zinc/48/62/06/582486206.db2.gz FSCVQYLGBYMYTL-OUAUKWLOSA-N 0 1 238.762 3.174 20 0 BGADMN C[C@@H]1C[C@H]1CN1CCn2c(Cl)ccc2[C@@H]1C ZINC000859210171 582486223 /nfs/dbraw/zinc/48/62/23/582486223.db2.gz FSCVQYLGBYMYTL-VWYCJHECSA-N 0 1 238.762 3.174 20 0 BGADMN Cc1ccc2sc(CN3CC[C@H]4C[C@H]43)nc2c1 ZINC000859218010 589020857 /nfs/dbraw/zinc/02/08/57/589020857.db2.gz UTKAXBWXLNLDQD-CMPLNLGQSA-N 0 1 244.363 3.199 20 0 BGADMN Cc1ccc2sc(CN3CC[C@@H]4C[C@@H]43)nc2c1 ZINC000859218018 589020503 /nfs/dbraw/zinc/02/05/03/589020503.db2.gz UTKAXBWXLNLDQD-PWSUYJOCSA-N 0 1 244.363 3.199 20 0 BGADMN CCCC[C@H](C)N(C)Cc1cc(Cl)n(C)n1 ZINC000859309544 589029982 /nfs/dbraw/zinc/02/99/82/589029982.db2.gz RWBXWBOLDSBDEU-JTQLQIEISA-N 0 1 243.782 3.084 20 0 BGADMN CCCC[C@@H](C)N(C)Cc1cc(Cl)n(C)n1 ZINC000859309545 589029757 /nfs/dbraw/zinc/02/97/57/589029757.db2.gz RWBXWBOLDSBDEU-SNVBAGLBSA-N 0 1 243.782 3.084 20 0 BGADMN Fc1cc(CN2CCC(C3CCC3)CC2)ccn1 ZINC000859348951 589032935 /nfs/dbraw/zinc/03/29/35/589032935.db2.gz KPVOEJMRSAKNNC-UHFFFAOYSA-N 0 1 248.345 3.233 20 0 BGADMN FC1(F)C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC000859432573 589036497 /nfs/dbraw/zinc/03/64/97/589036497.db2.gz XIUOSRLQPUHXAI-AKZHKUIASA-N 0 1 221.678 3.001 20 0 BGADMN FC1(F)C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC000859432574 589036695 /nfs/dbraw/zinc/03/66/95/589036695.db2.gz XIUOSRLQPUHXAI-DRLAOXJRSA-N 0 1 221.678 3.001 20 0 BGADMN Cc1ccnc(CN2CC(C)(C)CCC2(C)C)n1 ZINC000859473908 589039903 /nfs/dbraw/zinc/03/99/03/589039903.db2.gz JJCCOVTUZQLKIH-UHFFFAOYSA-N 0 1 247.386 3.186 20 0 BGADMN Oc1ccc2c(c1)CN(CCc1cccs1)C2 ZINC000859478377 589039883 /nfs/dbraw/zinc/03/98/83/589039883.db2.gz FNSDSZGVNOQVAV-UHFFFAOYSA-N 0 1 245.347 3.012 20 0 BGADMN CCCCCCN1Cc2ccc(O)cc2C1 ZINC000859479485 589040065 /nfs/dbraw/zinc/04/00/65/589040065.db2.gz NUFWBLUEBACYPI-UHFFFAOYSA-N 0 1 219.328 3.288 20 0 BGADMN Fc1cc(CN(C2CC2)C2CC2)cnc1Cl ZINC000859625889 589049489 /nfs/dbraw/zinc/04/94/89/589049489.db2.gz DHIRWLZRRSGBFC-UHFFFAOYSA-N 0 1 240.709 3.001 20 0 BGADMN CC(C)CC(=O)CCN1CCC(F)(F)C[C@H]1C ZINC000859842177 589065838 /nfs/dbraw/zinc/06/58/38/589065838.db2.gz DOBXQKJBKKKYLM-LLVKDONJSA-N 0 1 247.329 3.111 20 0 BGADMN CC(C)CC(=O)CCN1CCC(F)(F)C[C@@H]1C ZINC000859842178 589065783 /nfs/dbraw/zinc/06/57/83/589065783.db2.gz DOBXQKJBKKKYLM-NSHDSACASA-N 0 1 247.329 3.111 20 0 BGADMN CC1(C)[C@@H](c2cccc(F)c2)CCN1CCF ZINC000859855937 589067009 /nfs/dbraw/zinc/06/70/09/589067009.db2.gz BALYNJDPZNWGBC-CYBMUJFWSA-N 0 1 239.309 3.363 20 0 BGADMN CC1(C)[C@H](c2cccc(F)c2)CCN1CCF ZINC000859855938 589067127 /nfs/dbraw/zinc/06/71/27/589067127.db2.gz BALYNJDPZNWGBC-ZDUSSCGKSA-N 0 1 239.309 3.363 20 0 BGADMN Cc1ccc(CN[C@H](C)c2ccns2)c(C)n1 ZINC000860059252 589078053 /nfs/dbraw/zinc/07/80/53/589078053.db2.gz XMWDTXSPXKMPPR-LLVKDONJSA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ccc(CN[C@@H](C)c2ccns2)c(C)n1 ZINC000860059253 582500864 /nfs/dbraw/zinc/50/08/64/582500864.db2.gz XMWDTXSPXKMPPR-NSHDSACASA-N 0 1 247.367 3.006 20 0 BGADMN FC(F)C(F)(F)CN1CCCC2(CC2)CC1 ZINC000860069233 589078680 /nfs/dbraw/zinc/07/86/80/589078680.db2.gz GDVWUMQUWYLEAR-UHFFFAOYSA-N 0 1 239.256 3.153 20 0 BGADMN Cc1c(F)nccc1CN(C)Cc1ccccc1 ZINC000862210444 589194266 /nfs/dbraw/zinc/19/42/66/589194266.db2.gz LHRFWVIIJTWWHO-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN Cc1ncc(CN2Cc3ccccc3[C@H](C)C2)o1 ZINC000862213822 589194585 /nfs/dbraw/zinc/19/45/85/589194585.db2.gz XSXQXSWZVBWXBL-LLVKDONJSA-N 0 1 242.322 3.102 20 0 BGADMN Cc1ncc(CN2Cc3ccccc3[C@@H](C)C2)o1 ZINC000862213825 589194492 /nfs/dbraw/zinc/19/44/92/589194492.db2.gz XSXQXSWZVBWXBL-NSHDSACASA-N 0 1 242.322 3.102 20 0 BGADMN Cc1c[nH]c(CN(C)C2CCCCCCC2)n1 ZINC000862236492 589196317 /nfs/dbraw/zinc/19/63/17/589196317.db2.gz BOTVKMCKSLXBPE-UHFFFAOYSA-N 0 1 235.375 3.263 20 0 BGADMN Cc1c(CN2C3CCCC2CCC3)ccnc1F ZINC000862248373 589197446 /nfs/dbraw/zinc/19/74/46/589197446.db2.gz LCZKEZJWNHUWER-UHFFFAOYSA-N 0 1 248.345 3.436 20 0 BGADMN Cc1ncc(CN2CCC(CC(C)C)CC2)o1 ZINC000862253124 589197223 /nfs/dbraw/zinc/19/72/23/589197223.db2.gz JBRQBBVOWJGPGD-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN CC[C@](C)(NCc1cnc(C)o1)c1ccccc1 ZINC000862281236 589199124 /nfs/dbraw/zinc/19/91/24/589199124.db2.gz WZHPPIHJRULACZ-HNNXBMFYSA-N 0 1 244.338 3.398 20 0 BGADMN CC[C@@](C)(NCc1cnc(C)o1)c1ccccc1 ZINC000862281237 589199111 /nfs/dbraw/zinc/19/91/11/589199111.db2.gz WZHPPIHJRULACZ-OAHLLOKOSA-N 0 1 244.338 3.398 20 0 BGADMN Cc1nc(CN2CCCC3(CCCC3)C2)[nH]c1C ZINC000862336982 589201155 /nfs/dbraw/zinc/20/11/55/589201155.db2.gz OVYJDLAMSZYBMS-UHFFFAOYSA-N 0 1 247.386 3.183 20 0 BGADMN Cc1c(CN2CCC(C)=C(C)C2)ccnc1F ZINC000862353616 589202247 /nfs/dbraw/zinc/20/22/47/589202247.db2.gz UEFKTWXTEVRURF-UHFFFAOYSA-N 0 1 234.318 3.071 20 0 BGADMN Cc1c(CN2CC(C)(C)[C@H]2C2CC2)ccnc1F ZINC000862370526 589205067 /nfs/dbraw/zinc/20/50/67/589205067.db2.gz MSJCMFSVOIJCIT-CYBMUJFWSA-N 0 1 248.345 3.150 20 0 BGADMN Cc1c(CN2CC(C)(C)[C@@H]2C2CC2)ccnc1F ZINC000862370527 589205283 /nfs/dbraw/zinc/20/52/83/589205283.db2.gz MSJCMFSVOIJCIT-ZDUSSCGKSA-N 0 1 248.345 3.150 20 0 BGADMN CC(C)[C@@H]1N(Cc2ccnc(F)c2)CC12CCC2 ZINC000862372891 589205625 /nfs/dbraw/zinc/20/56/25/589205625.db2.gz ANNVEWPSKFNNDO-AWEZNQCLSA-N 0 1 248.345 3.231 20 0 BGADMN CC(C)[C@H]1N(Cc2ccnc(F)c2)CC12CCC2 ZINC000862372892 589205681 /nfs/dbraw/zinc/20/56/81/589205681.db2.gz ANNVEWPSKFNNDO-CQSZACIVSA-N 0 1 248.345 3.231 20 0 BGADMN CC(C)[C@H]1N(Cc2ccnc(F)c2)CC1(C)C ZINC000862377501 589206111 /nfs/dbraw/zinc/20/61/11/589206111.db2.gz RSMGGKQSFVALEQ-CYBMUJFWSA-N 0 1 236.334 3.087 20 0 BGADMN CC(C)[C@@H]1N(Cc2ccnc(F)c2)CC1(C)C ZINC000862377502 589205993 /nfs/dbraw/zinc/20/59/93/589205993.db2.gz RSMGGKQSFVALEQ-ZDUSSCGKSA-N 0 1 236.334 3.087 20 0 BGADMN C[C@]1(F)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000862381788 589206295 /nfs/dbraw/zinc/20/62/95/589206295.db2.gz JFRCJBZPSSLGJE-HNNXBMFYSA-N 0 1 246.329 3.492 20 0 BGADMN C[C@@]1(F)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000862381789 589206323 /nfs/dbraw/zinc/20/63/23/589206323.db2.gz JFRCJBZPSSLGJE-OAHLLOKOSA-N 0 1 246.329 3.492 20 0 BGADMN CC[C@@H]1CCCC[C@@H]1CNC(CF)CF ZINC000862382311 589206424 /nfs/dbraw/zinc/20/64/24/589206424.db2.gz RDCJCWXAGZPLGS-GHMZBOCLSA-N 0 1 219.319 3.100 20 0 BGADMN CC[C@@H]1CCCC[C@H]1CNC(CF)CF ZINC000862382312 589206428 /nfs/dbraw/zinc/20/64/28/589206428.db2.gz RDCJCWXAGZPLGS-MNOVXSKESA-N 0 1 219.319 3.100 20 0 BGADMN CC[C@H]1CCCC[C@H]1CNC(CF)CF ZINC000862382314 589206553 /nfs/dbraw/zinc/20/65/53/589206553.db2.gz RDCJCWXAGZPLGS-QWRGUYRKSA-N 0 1 219.319 3.100 20 0 BGADMN CC[C@H]1CCCC[C@@H]1CNC(CF)CF ZINC000862382315 589206619 /nfs/dbraw/zinc/20/66/19/589206619.db2.gz RDCJCWXAGZPLGS-WDEREUQCSA-N 0 1 219.319 3.100 20 0 BGADMN C[C@]1(F)CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000862382633 589206877 /nfs/dbraw/zinc/20/68/77/589206877.db2.gz XETRWJIBLQDJDJ-HNNXBMFYSA-N 0 1 246.329 3.492 20 0 BGADMN C[C@@]1(F)CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000862382634 589206933 /nfs/dbraw/zinc/20/69/33/589206933.db2.gz XETRWJIBLQDJDJ-OAHLLOKOSA-N 0 1 246.329 3.492 20 0 BGADMN CCC1(CC)CN(Cc2ccnc(F)c2C)C1 ZINC000862389105 589207415 /nfs/dbraw/zinc/20/74/15/589207415.db2.gz GIAKOCVHXTUSEM-UHFFFAOYSA-N 0 1 236.334 3.151 20 0 BGADMN Cc1c(CN2CC(C3CCCC3)C2)ccnc1F ZINC000862389492 636625115 /nfs/dbraw/zinc/62/51/15/636625115.db2.gz 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ZINC000866409135 589491140 /nfs/dbraw/zinc/49/11/40/589491140.db2.gz HXKQRUQOCSCDMP-LBPRGKRZSA-N 0 1 224.323 3.116 20 0 BGADMN CC(C)(F)CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000866409199 589491123 /nfs/dbraw/zinc/49/11/23/589491123.db2.gz JHRFKMODBAXWAI-SECBINFHSA-N 0 1 242.725 3.060 20 0 BGADMN CC(C)(F)CN[C@H]1CCc2nc(Cl)ccc21 ZINC000866409200 589491375 /nfs/dbraw/zinc/49/13/75/589491375.db2.gz JHRFKMODBAXWAI-VIFPVBQESA-N 0 1 242.725 3.060 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccco1 ZINC000866448187 589493394 /nfs/dbraw/zinc/49/33/94/589493394.db2.gz AYDVCAXOHGPHAA-GARJFASQSA-N 0 1 211.280 3.211 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccco1 ZINC000866448188 589492851 /nfs/dbraw/zinc/49/28/51/589492851.db2.gz AYDVCAXOHGPHAA-OUAUKWLOSA-N 0 1 211.280 3.211 20 0 BGADMN Cc1ncc([C@@H](C)N[C@@H]2CCCC[C@@H]2F)s1 ZINC000866449440 589493727 /nfs/dbraw/zinc/49/37/27/589493727.db2.gz CBVSAZAAZDQFFU-DVVUODLYSA-N 0 1 242.363 3.383 20 0 BGADMN Cc1ncc([C@H](C)N[C@@H]2CCCC[C@@H]2F)s1 ZINC000866449441 589493856 /nfs/dbraw/zinc/49/38/56/589493856.db2.gz CBVSAZAAZDQFFU-INTQDDNPSA-N 0 1 242.363 3.383 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cccc(O)c1 ZINC000866449769 589493777 /nfs/dbraw/zinc/49/37/77/589493777.db2.gz HNOKMGYHJJVGLY-DDTOSNHZSA-N 0 1 237.318 3.324 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccc(O)c1 ZINC000866449770 589494051 /nfs/dbraw/zinc/49/40/51/589494051.db2.gz HNOKMGYHJJVGLY-LEWSCRJBSA-N 0 1 237.318 3.324 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(F)cn1 ZINC000866450038 589493681 /nfs/dbraw/zinc/49/36/81/589493681.db2.gz MHVZGFDRLONRDP-SUZMYJTESA-N 0 1 240.297 3.152 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(F)cn1 ZINC000866450039 589493710 /nfs/dbraw/zinc/49/37/10/589493710.db2.gz MHVZGFDRLONRDP-XHVZSJERSA-N 0 1 240.297 3.152 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cncs1 ZINC000866450081 589493720 /nfs/dbraw/zinc/49/37/20/589493720.db2.gz NQSUUORBNAWEHY-KXUCPTDWSA-N 0 1 228.336 3.074 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cncs1 ZINC000866450082 589492893 /nfs/dbraw/zinc/49/28/93/589492893.db2.gz NQSUUORBNAWEHY-LPEHRKFASA-N 0 1 228.336 3.074 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccccn1 ZINC000866450096 584119123 /nfs/dbraw/zinc/11/91/23/584119123.db2.gz NYYAUTQJDLEDJV-GMXVVIOVSA-N 0 1 222.307 3.013 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccccn1 ZINC000866450097 584119147 /nfs/dbraw/zinc/11/91/47/584119147.db2.gz NYYAUTQJDLEDJV-NTZNESFSSA-N 0 1 222.307 3.013 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccoc1 ZINC000866450361 589493736 /nfs/dbraw/zinc/49/37/36/589493736.db2.gz STGDOHDAMMHYNM-ADEWGFFLSA-N 0 1 211.280 3.211 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccoc1 ZINC000866450362 589493907 /nfs/dbraw/zinc/49/39/07/589493907.db2.gz STGDOHDAMMHYNM-ZMLRMANQSA-N 0 1 211.280 3.211 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cccnc1 ZINC000866450615 589493729 /nfs/dbraw/zinc/49/37/29/589493729.db2.gz XRBCRSQGORYMJR-KGYLQXTDSA-N 0 1 222.307 3.013 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccnc1 ZINC000866450617 589494047 /nfs/dbraw/zinc/49/40/47/589494047.db2.gz XRBCRSQGORYMJR-WCFLWFBJSA-N 0 1 222.307 3.013 20 0 BGADMN F[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2cccnc21 ZINC000866450988 589493822 /nfs/dbraw/zinc/49/38/22/589493822.db2.gz CFWBYZIORZQHTA-HZSPNIEDSA-N 0 1 248.345 3.329 20 0 BGADMN F[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2cccnc21 ZINC000866450989 589493675 /nfs/dbraw/zinc/49/36/75/589493675.db2.gz CFWBYZIORZQHTA-RDBSUJKOSA-N 0 1 248.345 3.329 20 0 BGADMN Cc1cc([C@@H](C)NCCCCC2CC2)no1 ZINC000866542512 589499890 /nfs/dbraw/zinc/49/98/90/589499890.db2.gz ZNWNTGHWHIHOLT-LLVKDONJSA-N 0 1 222.332 3.214 20 0 BGADMN Cc1cc([C@H](C)NCCCCC2CC2)no1 ZINC000866542514 589500173 /nfs/dbraw/zinc/50/01/73/589500173.db2.gz ZNWNTGHWHIHOLT-NSHDSACASA-N 0 1 222.332 3.214 20 0 BGADMN Cc1cc([C@@H](C)NCC(C)(C)C(C)(F)F)no1 ZINC000866544290 589500199 /nfs/dbraw/zinc/50/01/99/589500199.db2.gz MQUJKZSBAWNLIR-SECBINFHSA-N 0 1 246.301 3.315 20 0 BGADMN Cc1cc([C@H](C)NCC(C)(C)C(C)(F)F)no1 ZINC000866544291 589500134 /nfs/dbraw/zinc/50/01/34/589500134.db2.gz MQUJKZSBAWNLIR-VIFPVBQESA-N 0 1 246.301 3.315 20 0 BGADMN C[C@@H]1CC[C@@H]1N[C@@H](CF)c1ccc(F)cc1 ZINC000866596727 589502605 /nfs/dbraw/zinc/50/26/05/589502605.db2.gz IUMNKELFKWHTAH-ICCXJUOJSA-N 0 1 225.282 3.224 20 0 BGADMN C[C@@H]1CC[C@@H]1N[C@H](CF)c1ccc(F)cc1 ZINC000866596728 589502494 /nfs/dbraw/zinc/50/24/94/589502494.db2.gz IUMNKELFKWHTAH-JIMOISOXSA-N 0 1 225.282 3.224 20 0 BGADMN C[C@@H]1CC[C@H]1N[C@H](CF)c1ccc(F)cc1 ZINC000866596729 589502753 /nfs/dbraw/zinc/50/27/53/589502753.db2.gz IUMNKELFKWHTAH-OASPWFOLSA-N 0 1 225.282 3.224 20 0 BGADMN C[C@@H]1CC[C@H]1N[C@@H](CF)c1ccc(F)cc1 ZINC000866596730 589502726 /nfs/dbraw/zinc/50/27/26/589502726.db2.gz IUMNKELFKWHTAH-WQAKAFBOSA-N 0 1 225.282 3.224 20 0 BGADMN Cc1cc([C@@H](C)N[C@H](C)c2ccnn2C)cs1 ZINC000866614266 589505132 /nfs/dbraw/zinc/50/51/32/589505132.db2.gz MBQPBSZIELTBAQ-GHMZBOCLSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccnn2C)cs1 ZINC000866614267 589504900 /nfs/dbraw/zinc/50/49/00/589504900.db2.gz MBQPBSZIELTBAQ-MNOVXSKESA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@H](C)N[C@@H](C)c2ccnn2C)cs1 ZINC000866614268 589505213 /nfs/dbraw/zinc/50/52/13/589505213.db2.gz MBQPBSZIELTBAQ-QWRGUYRKSA-N 0 1 249.383 3.202 20 0 BGADMN Cc1cc([C@H](C)N[C@H](C)c2ccnn2C)cs1 ZINC000866614269 589505144 /nfs/dbraw/zinc/50/51/44/589505144.db2.gz MBQPBSZIELTBAQ-WDEREUQCSA-N 0 1 249.383 3.202 20 0 BGADMN CC[C@@H](N[C@@H](C)c1ccnn1C)c1ccsc1 ZINC000866615607 589505047 /nfs/dbraw/zinc/50/50/47/589505047.db2.gz WNNONTOXSNFXOJ-CMPLNLGQSA-N 0 1 249.383 3.284 20 0 BGADMN CC[C@H](N[C@@H](C)c1ccnn1C)c1ccsc1 ZINC000866615608 589505024 /nfs/dbraw/zinc/50/50/24/589505024.db2.gz WNNONTOXSNFXOJ-JQWIXIFHSA-N 0 1 249.383 3.284 20 0 BGADMN CC[C@H](N[C@H](C)c1ccnn1C)c1ccsc1 ZINC000866615609 589504843 /nfs/dbraw/zinc/50/48/43/589504843.db2.gz WNNONTOXSNFXOJ-PWSUYJOCSA-N 0 1 249.383 3.284 20 0 BGADMN CC[C@@H](N[C@H](C)c1ccnn1C)c1ccsc1 ZINC000866615610 589505050 /nfs/dbraw/zinc/50/50/50/589505050.db2.gz WNNONTOXSNFXOJ-ZYHUDNBSSA-N 0 1 249.383 3.284 20 0 BGADMN CC(C)(C)SCSc1n[nH]c(C2CC2)n1 ZINC000871645505 589781025 /nfs/dbraw/zinc/78/10/25/589781025.db2.gz VWECXMCJWHYQIU-UHFFFAOYSA-N 0 1 243.401 3.263 20 0 BGADMN CC(C)(C)SCSc1nc(C2CC2)n[nH]1 ZINC000871645505 589781022 /nfs/dbraw/zinc/78/10/22/589781022.db2.gz VWECXMCJWHYQIU-UHFFFAOYSA-N 0 1 243.401 3.263 20 0 BGADMN c1nnc(-c2ccccc2OCCCC2CC2)[nH]1 ZINC000871737356 589801758 /nfs/dbraw/zinc/80/17/58/589801758.db2.gz PCJYKRGGQKXWMD-UHFFFAOYSA-N 0 1 243.310 3.041 20 0 BGADMN CCC[C@H](CC)c1nc(C2(N)CCCC2)no1 ZINC000871786493 589818288 /nfs/dbraw/zinc/81/82/88/589818288.db2.gz BGOYAJJBOVGVNV-JTQLQIEISA-N 0 1 237.347 3.091 20 0 BGADMN CCC[C@@H](CC)c1nc(C2(N)CCCC2)no1 ZINC000871786494 589818032 /nfs/dbraw/zinc/81/80/32/589818032.db2.gz BGOYAJJBOVGVNV-SNVBAGLBSA-N 0 1 237.347 3.091 20 0 BGADMN CO[C@H]1C[C@@H](CNc2ccc3cnccc3c2)C1 ZINC000871837604 589823462 /nfs/dbraw/zinc/82/34/62/589823462.db2.gz NOUWHPIKSYLXAJ-WGRBQBNCSA-N 0 1 242.322 3.072 20 0 BGADMN CC(C)CCc1cc(=O)n(Cc2ccccc2)[nH]1 ZINC000871939589 589834732 /nfs/dbraw/zinc/83/47/32/589834732.db2.gz DIAWAFQRHOGZHD-UHFFFAOYSA-N 0 1 244.338 3.211 20 0 BGADMN CC1(C)CCc2c([nH]n(-c3ccccc3)c2=O)C1 ZINC000871940389 589835782 /nfs/dbraw/zinc/83/57/82/589835782.db2.gz HYRWMJOVMXTEBR-GFCCVEGCSA-N 0 1 242.322 3.216 20 0 BGADMN CC1(C)CC[C@H]2C(=O)N(c3ccccc3)N=C2C1 ZINC000871940389 589835780 /nfs/dbraw/zinc/83/57/80/589835780.db2.gz HYRWMJOVMXTEBR-GFCCVEGCSA-N 0 1 242.322 3.216 20 0 BGADMN CC1(C)CCc2c([nH]n(-c3ccccc3)c2=O)C1 ZINC000871940390 589836127 /nfs/dbraw/zinc/83/61/27/589836127.db2.gz HYRWMJOVMXTEBR-LBPRGKRZSA-N 0 1 242.322 3.216 20 0 BGADMN CC1(C)CC[C@@H]2C(=O)N(c3ccccc3)N=C2C1 ZINC000871940390 589836126 /nfs/dbraw/zinc/83/61/26/589836126.db2.gz HYRWMJOVMXTEBR-LBPRGKRZSA-N 0 1 242.322 3.216 20 0 BGADMN CC(C)CCc1cc(=O)n(-c2ccccc2F)[nH]1 ZINC000871942641 589836155 /nfs/dbraw/zinc/83/61/55/589836155.db2.gz WFIQLSAXEFBYIV-UHFFFAOYSA-N 0 1 248.301 3.355 20 0 BGADMN CC(C)(C)Cn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871943579 589837748 /nfs/dbraw/zinc/83/77/48/589837748.db2.gz NEONGQDKKILICP-JTQLQIEISA-N 0 1 236.359 3.057 20 0 BGADMN CC(C)(C)Cn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871943580 589833882 /nfs/dbraw/zinc/83/38/82/589833882.db2.gz NEONGQDKKILICP-SNVBAGLBSA-N 0 1 236.359 3.057 20 0 BGADMN CC(C)CCc1cc(=O)n(CC(C)(C)C)[nH]1 ZINC000871944133 589837579 /nfs/dbraw/zinc/83/75/79/589837579.db2.gz YQBANBCZSBVESM-UHFFFAOYSA-N 0 1 224.348 3.057 20 0 BGADMN CC1(C)CCc2c([nH]n(CC3CCCC3)c2=O)C1 ZINC000871944420 589837790 /nfs/dbraw/zinc/83/77/90/589837790.db2.gz MASXPYRIILVRRQ-GFCCVEGCSA-N 0 1 248.370 3.201 20 0 BGADMN CC1(C)CCc2c([nH]n(CC3CCCC3)c2=O)C1 ZINC000871944421 589838019 /nfs/dbraw/zinc/83/80/19/589838019.db2.gz MASXPYRIILVRRQ-LBPRGKRZSA-N 0 1 248.370 3.201 20 0 BGADMN O=c1cc(C2CCCC2)[nH]n1CC1CCCCC1 ZINC000871944634 589837501 /nfs/dbraw/zinc/83/75/01/589837501.db2.gz OTDACLYFRHAUPK-UHFFFAOYSA-N 0 1 248.370 3.345 20 0 BGADMN Cc1cc(Cl)ccc1-n1[nH]c(C2CC2)cc1=O ZINC000871944820 589838776 /nfs/dbraw/zinc/83/87/76/589838776.db2.gz SEEHKTGVRLJGSB-UHFFFAOYSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1[nH]n(-c2ccc(Cl)cc2C)c(=O)c1C ZINC000871945035 589838697 /nfs/dbraw/zinc/83/86/97/589838697.db2.gz UXWWWEHXLWCLIT-MRVPVSSYSA-N 0 1 236.702 3.007 20 0 BGADMN Cc1[nH]n(-c2ccc(Cl)cc2C)c(=O)c1C ZINC000871945036 589838838 /nfs/dbraw/zinc/83/88/38/589838838.db2.gz UXWWWEHXLWCLIT-QMMMGPOBSA-N 0 1 236.702 3.007 20 0 BGADMN Cc1cc(Cl)ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000871945080 589838748 /nfs/dbraw/zinc/83/87/48/589838748.db2.gz WGKOOHYUJFFNFP-JTQLQIEISA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(Cl)ccc1N1N=C2CCC[C@@H]2C1=O ZINC000871945080 589838746 /nfs/dbraw/zinc/83/87/46/589838746.db2.gz WGKOOHYUJFFNFP-JTQLQIEISA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(Cl)ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000871945081 589838704 /nfs/dbraw/zinc/83/87/04/589838704.db2.gz WGKOOHYUJFFNFP-SNVBAGLBSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(Cl)ccc1N1N=C2CCC[C@H]2C1=O ZINC000871945081 589838702 /nfs/dbraw/zinc/83/87/02/589838702.db2.gz WGKOOHYUJFFNFP-SNVBAGLBSA-N 0 1 248.713 3.151 20 0 BGADMN CC(C)CCc1cc(=O)n(CC2CCCC2)[nH]1 ZINC000871945112 589838589 /nfs/dbraw/zinc/83/85/89/589838589.db2.gz XLEXSCKBHYQGKT-UHFFFAOYSA-N 0 1 236.359 3.201 20 0 BGADMN FC(F)c1cc(C2CC2)n(-c2ccncc2)n1 ZINC000871945334 589838274 /nfs/dbraw/zinc/83/82/74/589838274.db2.gz ZRQFKMNGMSHOHR-UHFFFAOYSA-N 0 1 235.237 3.082 20 0 BGADMN CC(C)CCc1cc(=O)n(C2CCCCC2)[nH]1 ZINC000871947501 589838325 /nfs/dbraw/zinc/83/83/25/589838325.db2.gz BSTURYWBXOZOMY-UHFFFAOYSA-N 0 1 236.359 3.344 20 0 BGADMN CC1(C)CCc2c([nH]n(C3CCCCC3)c2=O)C1 ZINC000871947907 589838671 /nfs/dbraw/zinc/83/86/71/589838671.db2.gz MCZKXAUINBPPIO-GFCCVEGCSA-N 0 1 248.370 3.344 20 0 BGADMN CC1(C)CCc2c([nH]n(C3CCCCC3)c2=O)C1 ZINC000871947908 589838631 /nfs/dbraw/zinc/83/86/31/589838631.db2.gz MCZKXAUINBPPIO-LBPRGKRZSA-N 0 1 248.370 3.344 20 0 BGADMN Cc1cc(F)ccc1-n1[nH]c(C2CCC2)cc1=O ZINC000871948530 589839521 /nfs/dbraw/zinc/83/95/21/589839521.db2.gz RLWWGFYDXBVXTJ-UHFFFAOYSA-N 0 1 246.285 3.027 20 0 BGADMN C[C@H]1CCC[C@H](n2[nH]c(C3CCCC3)cc2=O)C1 ZINC000871948816 589839562 /nfs/dbraw/zinc/83/95/62/589839562.db2.gz CYZAAFRTZRKSOU-AAEUAGOBSA-N 0 1 248.370 3.344 20 0 BGADMN C[C@@H]1CCC[C@@H](n2[nH]c(C3CCCC3)cc2=O)C1 ZINC000871948817 589839516 /nfs/dbraw/zinc/83/95/16/589839516.db2.gz CYZAAFRTZRKSOU-DGCLKSJQSA-N 0 1 248.370 3.344 20 0 BGADMN C[C@H]1CCC[C@@H](n2[nH]c(C3CCCC3)cc2=O)C1 ZINC000871948818 589839381 /nfs/dbraw/zinc/83/93/81/589839381.db2.gz CYZAAFRTZRKSOU-WCQYABFASA-N 0 1 248.370 3.344 20 0 BGADMN C[C@@H]1CCC[C@H](n2[nH]c(C3CCCC3)cc2=O)C1 ZINC000871948819 589839689 /nfs/dbraw/zinc/83/96/89/589839689.db2.gz CYZAAFRTZRKSOU-YPMHNXCESA-N 0 1 248.370 3.344 20 0 BGADMN CC1CCC(n2[nH]c(C3CCCC3)cc2=O)CC1 ZINC000871949281 589839743 /nfs/dbraw/zinc/83/97/43/589839743.db2.gz VRMJMSISDSGOLD-UHFFFAOYSA-N 0 1 248.370 3.344 20 0 BGADMN CCC(CC)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871950797 589840762 /nfs/dbraw/zinc/84/07/62/589840762.db2.gz HUFDGOBZXNPOPF-LLVKDONJSA-N 0 1 236.359 3.200 20 0 BGADMN CCC(CC)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871950798 589836259 /nfs/dbraw/zinc/83/62/59/589836259.db2.gz HUFDGOBZXNPOPF-NSHDSACASA-N 0 1 236.359 3.200 20 0 BGADMN CCC(CC)n1[nH]c(CCC(C)C)cc1=O ZINC000871950808 589840326 /nfs/dbraw/zinc/84/03/26/589840326.db2.gz IEGMYGQLLZYMGM-UHFFFAOYSA-N 0 1 224.348 3.200 20 0 BGADMN CC(C)(C)CCn1[nH]c(C2CCCC2)cc1=O ZINC000871957268 589843311 /nfs/dbraw/zinc/84/33/11/589843311.db2.gz CBOQTUHMECCFEQ-UHFFFAOYSA-N 0 1 236.359 3.201 20 0 BGADMN CCC(CC)Cn1[nH]c(C2CCCC2)cc1=O ZINC000871957808 589843567 /nfs/dbraw/zinc/84/35/67/589843567.db2.gz MOHVQOFLYNKALP-UHFFFAOYSA-N 0 1 236.359 3.201 20 0 BGADMN CCCCCC[C@@H](C)n1[nH]c(C2CC2)cc1=O ZINC000871958712 589844354 /nfs/dbraw/zinc/84/43/54/589844354.db2.gz FDOOQVPVQFRJRC-LLVKDONJSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@H](C)n1[nH]c(C2CC2)cc1=O ZINC000871958714 589844207 /nfs/dbraw/zinc/84/42/07/589844207.db2.gz FDOOQVPVQFRJRC-NSHDSACASA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@@H](C)n1[nH]c(CC)cc1=O ZINC000871958917 589844221 /nfs/dbraw/zinc/84/42/21/589844221.db2.gz GTIFZFPYTMLCKM-LLVKDONJSA-N 0 1 224.348 3.344 20 0 BGADMN CCCCCC[C@H](C)n1[nH]c(CC)cc1=O ZINC000871958919 589844247 /nfs/dbraw/zinc/84/42/47/589844247.db2.gz GTIFZFPYTMLCKM-NSHDSACASA-N 0 1 224.348 3.344 20 0 BGADMN CC1(C)CCC[C@H]1n1[nH]c(C2CCCC2)cc1=O ZINC000871959008 589844387 /nfs/dbraw/zinc/84/43/87/589844387.db2.gz JRSHDBSHKWENCR-CYBMUJFWSA-N 0 1 248.370 3.344 20 0 BGADMN CC1(C)CCC[C@@H]1n1[nH]c(C2CCCC2)cc1=O ZINC000871959009 589844067 /nfs/dbraw/zinc/84/40/67/589844067.db2.gz JRSHDBSHKWENCR-ZDUSSCGKSA-N 0 1 248.370 3.344 20 0 BGADMN CCCCCC[C@@H](C)n1[nH]c(C)c(C)c1=O ZINC000871959242 589844505 /nfs/dbraw/zinc/84/45/05/589844505.db2.gz JSOHBZJCHZDDLZ-GHMZBOCLSA-N 0 1 224.348 3.200 20 0 BGADMN CCCCCC[C@@H](C)n1[nH]c(C)c(C)c1=O ZINC000871959243 589844229 /nfs/dbraw/zinc/84/42/29/589844229.db2.gz JSOHBZJCHZDDLZ-MNOVXSKESA-N 0 1 224.348 3.200 20 0 BGADMN CCCCCC[C@H](C)n1[nH]c(C)c(C)c1=O ZINC000871959244 589844261 /nfs/dbraw/zinc/84/42/61/589844261.db2.gz JSOHBZJCHZDDLZ-QWRGUYRKSA-N 0 1 224.348 3.200 20 0 BGADMN CCCCCC[C@H](C)n1[nH]c(C)c(C)c1=O ZINC000871959245 589844460 /nfs/dbraw/zinc/84/44/60/589844460.db2.gz JSOHBZJCHZDDLZ-WDEREUQCSA-N 0 1 224.348 3.200 20 0 BGADMN CCCCCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871959351 589845400 /nfs/dbraw/zinc/84/54/00/589845400.db2.gz QUQLZJBXGPQEIA-LLVKDONJSA-N 0 1 236.359 3.201 20 0 BGADMN CCCCCn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871959351 589845397 /nfs/dbraw/zinc/84/53/97/589845397.db2.gz QUQLZJBXGPQEIA-LLVKDONJSA-N 0 1 236.359 3.201 20 0 BGADMN CCCCCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871959352 589844983 /nfs/dbraw/zinc/84/49/83/589844983.db2.gz QUQLZJBXGPQEIA-NSHDSACASA-N 0 1 236.359 3.201 20 0 BGADMN CCCCCn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871959352 589844981 /nfs/dbraw/zinc/84/49/81/589844981.db2.gz QUQLZJBXGPQEIA-NSHDSACASA-N 0 1 236.359 3.201 20 0 BGADMN CCCCCC[C@@H](C)n1[nH]c2c(c1=O)CCC2 ZINC000871959653 589845566 /nfs/dbraw/zinc/84/55/66/589845566.db2.gz OFXCAPRHSCOSJQ-NEPJUHHUSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@@H](C)n1[n-]c2c(c1=O)CCC2 ZINC000871959653 589845564 /nfs/dbraw/zinc/84/55/64/589845564.db2.gz OFXCAPRHSCOSJQ-NEPJUHHUSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@H](C)n1[nH]c2c(c1=O)CCC2 ZINC000871959654 589845603 /nfs/dbraw/zinc/84/56/03/589845603.db2.gz OFXCAPRHSCOSJQ-NWDGAFQWSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@H](C)n1[n-]c2c(c1=O)CCC2 ZINC000871959654 589845601 /nfs/dbraw/zinc/84/56/01/589845601.db2.gz OFXCAPRHSCOSJQ-NWDGAFQWSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@H](C)n1[nH]c2c(c1=O)CCC2 ZINC000871959655 589845013 /nfs/dbraw/zinc/84/50/13/589845013.db2.gz OFXCAPRHSCOSJQ-RYUDHWBXSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@H](C)n1[n-]c2c(c1=O)CCC2 ZINC000871959655 589845012 /nfs/dbraw/zinc/84/50/12/589845012.db2.gz OFXCAPRHSCOSJQ-RYUDHWBXSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@@H](C)n1[nH]c2c(c1=O)CCC2 ZINC000871959656 589845320 /nfs/dbraw/zinc/84/53/20/589845320.db2.gz OFXCAPRHSCOSJQ-VXGBXAGGSA-N 0 1 236.359 3.344 20 0 BGADMN CCCCCC[C@@H](C)n1[n-]c2c(c1=O)CCC2 ZINC000871959656 589845316 /nfs/dbraw/zinc/84/53/16/589845316.db2.gz OFXCAPRHSCOSJQ-VXGBXAGGSA-N 0 1 236.359 3.344 20 0 BGADMN CC1(Cn2[nH]c(C3CCCC3)cc2=O)CCCC1 ZINC000871960522 589845620 /nfs/dbraw/zinc/84/56/20/589845620.db2.gz AUNGLJXILLGXEG-UHFFFAOYSA-N 0 1 248.370 3.345 20 0 BGADMN CC(C)=CCN[C@@H](C)c1cc(O)ccc1F ZINC000872067208 589863513 /nfs/dbraw/zinc/86/35/13/589863513.db2.gz VGMLPLXETNZOFF-JTQLQIEISA-N 0 1 223.291 3.148 20 0 BGADMN CC(C)=CCN[C@H](C)c1cc(O)ccc1F ZINC000872067209 589863252 /nfs/dbraw/zinc/86/32/52/589863252.db2.gz VGMLPLXETNZOFF-SNVBAGLBSA-N 0 1 223.291 3.148 20 0 BGADMN CC(C)=CCN[C@@H](C)c1cccc(O)c1F ZINC000872067588 589863664 /nfs/dbraw/zinc/86/36/64/589863664.db2.gz ZKPGTRUXMZHYMX-JTQLQIEISA-N 0 1 223.291 3.148 20 0 BGADMN CC(C)=CCN[C@H](C)c1cccc(O)c1F ZINC000872067589 589863419 /nfs/dbraw/zinc/86/34/19/589863419.db2.gz ZKPGTRUXMZHYMX-SNVBAGLBSA-N 0 1 223.291 3.148 20 0 BGADMN CC[C@H](CCC(F)(F)F)NCC(C)(F)F ZINC000872073119 589865212 /nfs/dbraw/zinc/86/52/12/589865212.db2.gz NBHPTZOZSBEABK-SSDOTTSWSA-N 0 1 233.224 3.352 20 0 BGADMN CC[C@@H](CCC(F)(F)F)NCC(C)(F)F ZINC000872073120 589864754 /nfs/dbraw/zinc/86/47/54/589864754.db2.gz NBHPTZOZSBEABK-ZETCQYMHSA-N 0 1 233.224 3.352 20 0 BGADMN C[C@@H](NCCC(C)(F)F)c1cc(O)ccc1F ZINC000872073278 589864914 /nfs/dbraw/zinc/86/49/14/589864914.db2.gz ODBWAGZYDVBPQH-MRVPVSSYSA-N 0 1 247.260 3.227 20 0 BGADMN C[C@H](NCCC(C)(F)F)c1cc(O)ccc1F ZINC000872073279 589865132 /nfs/dbraw/zinc/86/51/32/589865132.db2.gz ODBWAGZYDVBPQH-QMMMGPOBSA-N 0 1 247.260 3.227 20 0 BGADMN CC/C=C\CN[C@@H](C)c1cc(O)ccc1F ZINC000872074332 589865055 /nfs/dbraw/zinc/86/50/55/589865055.db2.gz CWOWZLBPBKPCHV-LWTINBJPSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C/CN[C@H](C)c1cc(O)ccc1F ZINC000872074335 589864785 /nfs/dbraw/zinc/86/47/85/589864785.db2.gz CWOWZLBPBKPCHV-ORAHPGNNSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C\CN[C@H](C)c1cc(O)ccc1F ZINC000872074338 589864886 /nfs/dbraw/zinc/86/48/86/589864886.db2.gz CWOWZLBPBKPCHV-UMCURTJPSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C/CN[C@@H](C)c1cc(O)ccc1F ZINC000872074340 589864972 /nfs/dbraw/zinc/86/49/72/589864972.db2.gz CWOWZLBPBKPCHV-YEZKRMTDSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C\CN[C@@H](C)c1cccc(O)c1F ZINC000872076287 589865828 /nfs/dbraw/zinc/86/58/28/589865828.db2.gz YULXPMRUWAGLQN-LWTINBJPSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C/CN[C@H](C)c1cccc(O)c1F ZINC000872076288 589865379 /nfs/dbraw/zinc/86/53/79/589865379.db2.gz YULXPMRUWAGLQN-ORAHPGNNSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C\CN[C@H](C)c1cccc(O)c1F ZINC000872076289 589865770 /nfs/dbraw/zinc/86/57/70/589865770.db2.gz YULXPMRUWAGLQN-UMCURTJPSA-N 0 1 223.291 3.148 20 0 BGADMN CC/C=C/CN[C@@H](C)c1cccc(O)c1F ZINC000872076290 589865687 /nfs/dbraw/zinc/86/56/87/589865687.db2.gz YULXPMRUWAGLQN-YEZKRMTDSA-N 0 1 223.291 3.148 20 0 BGADMN C[C@H](NCC1=CCCC1)c1cc(O)ccc1F ZINC000872089167 589867480 /nfs/dbraw/zinc/86/74/80/589867480.db2.gz UGZKMKVVWCRVIO-JTQLQIEISA-N 0 1 235.302 3.292 20 0 BGADMN C[C@@H](NCC1=CCCC1)c1cc(O)ccc1F ZINC000872089168 589867373 /nfs/dbraw/zinc/86/73/73/589867373.db2.gz UGZKMKVVWCRVIO-SNVBAGLBSA-N 0 1 235.302 3.292 20 0 BGADMN Cc1cc([C@@H](C)NCCC[C@@H]2C=CCC2)no1 ZINC000872106628 589872456 /nfs/dbraw/zinc/87/24/56/589872456.db2.gz HOZDYPCMGSGVLB-CHWSQXEVSA-N 0 1 234.343 3.380 20 0 BGADMN Cc1cc([C@@H](C)NCCC[C@H]2C=CCC2)no1 ZINC000872106630 589872931 /nfs/dbraw/zinc/87/29/31/589872931.db2.gz HOZDYPCMGSGVLB-OLZOCXBDSA-N 0 1 234.343 3.380 20 0 BGADMN Cc1cc([C@H](C)NCCC[C@@H]2C=CCC2)no1 ZINC000872106631 589872786 /nfs/dbraw/zinc/87/27/86/589872786.db2.gz HOZDYPCMGSGVLB-QWHCGFSZSA-N 0 1 234.343 3.380 20 0 BGADMN Cc1cc([C@H](C)NCCC[C@H]2C=CCC2)no1 ZINC000872106632 589872776 /nfs/dbraw/zinc/87/27/76/589872776.db2.gz HOZDYPCMGSGVLB-STQMWFEESA-N 0 1 234.343 3.380 20 0 BGADMN CC(C)[C@H]1CC[C@@H]1NCc1ncc(Cl)s1 ZINC000872112329 589874374 /nfs/dbraw/zinc/87/43/74/589874374.db2.gz INXNQQHIVCHDOX-BDAKNGLRSA-N 0 1 244.791 3.321 20 0 BGADMN CC(C)[C@@H]1CC[C@H]1NCc1ncc(Cl)s1 ZINC000872112331 589874067 /nfs/dbraw/zinc/87/40/67/589874067.db2.gz INXNQQHIVCHDOX-DTWKUNHWSA-N 0 1 244.791 3.321 20 0 BGADMN CC(C)[C@@H]1CC[C@@H]1NCc1ncc(Cl)s1 ZINC000872112333 589874154 /nfs/dbraw/zinc/87/41/54/589874154.db2.gz INXNQQHIVCHDOX-IUCAKERBSA-N 0 1 244.791 3.321 20 0 BGADMN CC(C)[C@H]1CC[C@H]1NCc1ncc(Cl)s1 ZINC000872112335 589874419 /nfs/dbraw/zinc/87/44/19/589874419.db2.gz INXNQQHIVCHDOX-RKDXNWHRSA-N 0 1 244.791 3.321 20 0 BGADMN CC[C@@H]1CC[C@H]1NCc1ncc(Cl)s1 ZINC000872112470 589874479 /nfs/dbraw/zinc/87/44/79/589874479.db2.gz JNWBHLCQSPCODG-HTQZYQBOSA-N 0 1 230.764 3.075 20 0 BGADMN CC[C@H]1CC[C@H]1NCc1ncc(Cl)s1 ZINC000872112474 589873998 /nfs/dbraw/zinc/87/39/98/589873998.db2.gz JNWBHLCQSPCODG-JGVFFNPUSA-N 0 1 230.764 3.075 20 0 BGADMN CC[C@@H]1CC[C@@H]1NCc1ncc(Cl)s1 ZINC000872112475 589874354 /nfs/dbraw/zinc/87/43/54/589874354.db2.gz JNWBHLCQSPCODG-SFYZADRCSA-N 0 1 230.764 3.075 20 0 BGADMN CC[C@H]1CC[C@@H]1NCc1ncc(Cl)s1 ZINC000872112477 589874347 /nfs/dbraw/zinc/87/43/47/589874347.db2.gz JNWBHLCQSPCODG-YUMQZZPRSA-N 0 1 230.764 3.075 20 0 BGADMN Clc1cnc(CN[C@@H]2CCC23CCC3)s1 ZINC000872114304 589874668 /nfs/dbraw/zinc/87/46/68/589874668.db2.gz XHWJOKHEWIXVIL-MRVPVSSYSA-N 0 1 242.775 3.219 20 0 BGADMN Clc1cnc(CN[C@H]2CCC23CCC3)s1 ZINC000872114305 589874996 /nfs/dbraw/zinc/87/49/96/589874996.db2.gz XHWJOKHEWIXVIL-QMMMGPOBSA-N 0 1 242.775 3.219 20 0 BGADMN Cc1ccc(C[N@H+](C(C)C)C2CC2)cc1C(=O)[O-] ZINC000872157135 589885716 /nfs/dbraw/zinc/88/57/16/589885716.db2.gz LNKDDTGCCUTSNO-UHFFFAOYSA-N 0 1 247.338 3.066 20 0 BGADMN Cc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1C(=O)[O-] ZINC000872159108 589886552 /nfs/dbraw/zinc/88/65/52/589886552.db2.gz NMIKJTRCOMXDHI-TXEJJXNPSA-N 0 1 247.338 3.066 20 0 BGADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](C)C(C)(C)C ZINC000872159779 589885735 /nfs/dbraw/zinc/88/57/35/589885735.db2.gz OGKLYNBJSIHSON-GFCCVEGCSA-N 0 1 243.391 3.101 20 0 BGADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](C)C(C)(C)C ZINC000872159780 589885985 /nfs/dbraw/zinc/88/59/85/589885985.db2.gz OGKLYNBJSIHSON-LBPRGKRZSA-N 0 1 243.391 3.101 20 0 BGADMN CCC[C@@H](CC)c1nc([C@H](N)C(C)C)no1 ZINC000872170209 589887706 /nfs/dbraw/zinc/88/77/06/589887706.db2.gz FOUDHIQQOZBCPJ-NXEZZACHSA-N 0 1 225.336 3.019 20 0 BGADMN CCC[C@H](CC)c1nc([C@@H](N)C(C)C)no1 ZINC000872170211 589887690 /nfs/dbraw/zinc/88/76/90/589887690.db2.gz FOUDHIQQOZBCPJ-UWVGGRQHSA-N 0 1 225.336 3.019 20 0 BGADMN CCC[C@H](CC)c1nc([C@H](N)C(C)C)no1 ZINC000872170213 589888059 /nfs/dbraw/zinc/88/80/59/589888059.db2.gz FOUDHIQQOZBCPJ-VHSXEESVSA-N 0 1 225.336 3.019 20 0 BGADMN CCC[C@@H](CC)c1nc([C@@H](N)C(C)C)no1 ZINC000872170214 589888182 /nfs/dbraw/zinc/88/81/82/589888182.db2.gz FOUDHIQQOZBCPJ-ZJUUUORDSA-N 0 1 225.336 3.019 20 0 BGADMN CCC[C@@H](C)c1noc(-c2oc(CN)cc2C)n1 ZINC000872174532 589888577 /nfs/dbraw/zinc/88/85/77/589888577.db2.gz AWFZVRMUKBGMJZ-MRVPVSSYSA-N 0 1 249.314 3.000 20 0 BGADMN CCC[C@H](C)c1noc(-c2oc(CN)cc2C)n1 ZINC000872174533 589888838 /nfs/dbraw/zinc/88/88/38/589888838.db2.gz AWFZVRMUKBGMJZ-QMMMGPOBSA-N 0 1 249.314 3.000 20 0 BGADMN CCC(CC)c1noc(-c2oc(CN)cc2C)n1 ZINC000872175562 589888987 /nfs/dbraw/zinc/88/89/87/589888987.db2.gz RVIKUBKISYEHGO-UHFFFAOYSA-N 0 1 249.314 3.000 20 0 BGADMN CCOc1cccc(F)c1CN[C@@H]1C=CCC1 ZINC000873135867 589986204 /nfs/dbraw/zinc/98/62/04/589986204.db2.gz OWLTYRKQNTZRSL-LLVKDONJSA-N 0 1 235.302 3.033 20 0 BGADMN CCOc1cccc(F)c1CN[C@H]1C=CCC1 ZINC000873135868 589986171 /nfs/dbraw/zinc/98/61/71/589986171.db2.gz OWLTYRKQNTZRSL-NSHDSACASA-N 0 1 235.302 3.033 20 0 BGADMN CC1(CNCc2noc3c2CC(C)(C)CC3)CC1 ZINC000873175175 589990034 /nfs/dbraw/zinc/99/00/34/589990034.db2.gz RFRVWYSAKWPIAD-UHFFFAOYSA-N 0 1 248.370 3.079 20 0 BGADMN CC1(NCc2cccnc2Cl)CC(F)(F)C1 ZINC000873197842 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0 1 248.370 3.241 20 0 BGADMN CN(Cc1ccc2cc[nH]c2c1)CC1(F)CC1 ZINC000877769332 590421114 /nfs/dbraw/zinc/42/11/14/590421114.db2.gz GBYBTMMBFRXNGN-UHFFFAOYSA-N 0 1 232.302 3.102 20 0 BGADMN CC1=CC[C@@H](NCc2ncc(Cl)s2)CC1 ZINC000877806803 590425992 /nfs/dbraw/zinc/42/59/92/590425992.db2.gz LARULKWHRLAYPU-SECBINFHSA-N 0 1 242.775 3.385 20 0 BGADMN CC1=CC[C@H](NCc2ncc(Cl)s2)CC1 ZINC000877806805 590426562 /nfs/dbraw/zinc/42/65/62/590426562.db2.gz LARULKWHRLAYPU-VIFPVBQESA-N 0 1 242.775 3.385 20 0 BGADMN C[C@H]1CC[C@H]1NCc1noc2c1CC(C)(C)CC2 ZINC000877810630 590426398 /nfs/dbraw/zinc/42/63/98/590426398.db2.gz XQHSOHKMNOBFPN-CMPLNLGQSA-N 0 1 248.370 3.078 20 0 BGADMN C[C@H]1CC[C@@H]1NCc1noc2c1CC(C)(C)CC2 ZINC000877810631 590426255 /nfs/dbraw/zinc/42/62/55/590426255.db2.gz XQHSOHKMNOBFPN-JQWIXIFHSA-N 0 1 248.370 3.078 20 0 BGADMN C[C@@H]1CC[C@@H]1NCc1noc2c1CC(C)(C)CC2 ZINC000877810632 590426500 /nfs/dbraw/zinc/42/65/00/590426500.db2.gz XQHSOHKMNOBFPN-PWSUYJOCSA-N 0 1 248.370 3.078 20 0 BGADMN C[C@@H]1CC[C@H]1NCc1noc2c1CC(C)(C)CC2 ZINC000877810634 590426380 /nfs/dbraw/zinc/42/63/80/590426380.db2.gz XQHSOHKMNOBFPN-ZYHUDNBSSA-N 0 1 248.370 3.078 20 0 BGADMN C[C@]1(C(F)(F)F)CCN(Cc2ccoc2)C1 ZINC000877811930 590427437 /nfs/dbraw/zinc/42/74/37/590427437.db2.gz CLAOGLMFICVZFC-JTQLQIEISA-N 0 1 233.233 3.054 20 0 BGADMN C[C@@]1(C(F)(F)F)CCN(Cc2ccoc2)C1 ZINC000877811931 590427609 /nfs/dbraw/zinc/42/76/09/590427609.db2.gz CLAOGLMFICVZFC-SNVBAGLBSA-N 0 1 233.233 3.054 20 0 BGADMN Cc1occc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812176 590427542 /nfs/dbraw/zinc/42/75/42/590427542.db2.gz IRMMEKPHQRMVPU-LLVKDONJSA-N 0 1 247.260 3.362 20 0 BGADMN Cc1occc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812177 590427029 /nfs/dbraw/zinc/42/70/29/590427029.db2.gz IRMMEKPHQRMVPU-NSHDSACASA-N 0 1 247.260 3.362 20 0 BGADMN Cc1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)o1 ZINC000877814328 590427251 /nfs/dbraw/zinc/42/72/51/590427251.db2.gz QFAUPQUKKIXGKN-LLVKDONJSA-N 0 1 247.260 3.362 20 0 BGADMN Cc1ccc(CN2CC[C@](C)(C(F)(F)F)C2)o1 ZINC000877814329 590427154 /nfs/dbraw/zinc/42/71/54/590427154.db2.gz QFAUPQUKKIXGKN-NSHDSACASA-N 0 1 247.260 3.362 20 0 BGADMN C[C@]1(C(F)(F)F)CCN(Cc2ccco2)C1 ZINC000877814553 590426909 /nfs/dbraw/zinc/42/69/09/590426909.db2.gz SSYNGHDOOJLJCN-JTQLQIEISA-N 0 1 233.233 3.054 20 0 BGADMN C[C@@]1(C(F)(F)F)CCN(Cc2ccco2)C1 ZINC000877814554 590427586 /nfs/dbraw/zinc/42/75/86/590427586.db2.gz SSYNGHDOOJLJCN-SNVBAGLBSA-N 0 1 233.233 3.054 20 0 BGADMN Cc1nc2c(n1CC1CC(C)C1)CCCC2 ZINC000877882975 590438207 /nfs/dbraw/zinc/43/82/07/590438207.db2.gz IBCCELDAVRONTO-UHFFFAOYSA-N 0 1 218.344 3.116 20 0 BGADMN CC(C)(C)SCCCN1CCOC(C)(C)C1 ZINC000877897353 590442075 /nfs/dbraw/zinc/44/20/75/590442075.db2.gz HZEBAKXOSUHXHJ-UHFFFAOYSA-N 0 1 245.432 3.019 20 0 BGADMN Cc1conc1CN1CCC[C@H]1c1ccccc1 ZINC000877898405 590442683 /nfs/dbraw/zinc/44/26/83/590442683.db2.gz LEBBVGSNLWNYKU-HNNXBMFYSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1conc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000877898405 590442681 /nfs/dbraw/zinc/44/26/81/590442681.db2.gz LEBBVGSNLWNYKU-HNNXBMFYSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1conc1CN1CCC[C@@H]1c1ccccc1 ZINC000877898406 590442977 /nfs/dbraw/zinc/44/29/77/590442977.db2.gz LEBBVGSNLWNYKU-OAHLLOKOSA-N 0 1 242.322 3.320 20 0 BGADMN Cc1conc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000877898406 590442975 /nfs/dbraw/zinc/44/29/75/590442975.db2.gz LEBBVGSNLWNYKU-OAHLLOKOSA-N 0 1 242.322 3.320 20 0 BGADMN C[C@@H]1CN(CCCSC(C)(C)C)C[C@H](C)O1 ZINC000877900843 590443342 /nfs/dbraw/zinc/44/33/42/590443342.db2.gz DOFQEPIVTFSCLV-TXEJJXNPSA-N 0 1 245.432 3.017 20 0 BGADMN CCCC[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000877901385 590443119 /nfs/dbraw/zinc/44/31/19/590443119.db2.gz XGCZDMBSAJOLEE-UHFFFAOYSA-N 0 1 226.751 3.275 20 0 BGADMN FC(F)(F)[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000877901488 590443791 /nfs/dbraw/zinc/44/37/91/590443791.db2.gz MPITZMIFOOSGMR-LLVKDONJSA-N 0 1 235.293 3.451 20 0 BGADMN FC(F)(F)[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000877901489 590443311 /nfs/dbraw/zinc/44/33/11/590443311.db2.gz MPITZMIFOOSGMR-NSHDSACASA-N 0 1 235.293 3.451 20 0 BGADMN C(c1nc2c(o1)CCCC2)N1CCCCCCC1 ZINC000877902362 590443420 /nfs/dbraw/zinc/44/34/20/590443420.db2.gz OEQPUGOYQRVEKQ-UHFFFAOYSA-N 0 1 248.370 3.320 20 0 BGADMN CN(Cc1ccco1)C[C@H]1CCCC(C)(C)O1 ZINC000877906392 590444489 /nfs/dbraw/zinc/44/44/89/590444489.db2.gz QEQVLQFEDWHTDR-CYBMUJFWSA-N 0 1 237.343 3.059 20 0 BGADMN CN(Cc1ccco1)C[C@@H]1CCCC(C)(C)O1 ZINC000877906394 590444428 /nfs/dbraw/zinc/44/44/28/590444428.db2.gz QEQVLQFEDWHTDR-ZDUSSCGKSA-N 0 1 237.343 3.059 20 0 BGADMN Cc1conc1CN(C)C1CCCCCC1 ZINC000877907713 590444944 /nfs/dbraw/zinc/44/49/44/590444944.db2.gz CADFYWUYPJBXNH-UHFFFAOYSA-N 0 1 222.332 3.138 20 0 BGADMN Cc1conc1C[N@H+](C)C1CCCCCC1 ZINC000877907713 590444943 /nfs/dbraw/zinc/44/49/43/590444943.db2.gz CADFYWUYPJBXNH-UHFFFAOYSA-N 0 1 222.332 3.138 20 0 BGADMN CCCCN(CCCC)Cc1nocc1C ZINC000877907940 590445535 /nfs/dbraw/zinc/44/55/35/590445535.db2.gz LUGPUUKDGKBWGN-UHFFFAOYSA-N 0 1 224.348 3.385 20 0 BGADMN CCCN(Cc1nc2c(o1)CCCC2)CC1CC1 ZINC000877907944 590445068 /nfs/dbraw/zinc/44/50/68/590445068.db2.gz LYOBVBANSFVOHV-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN CCC[N@H+](Cc1nc2c(o1)CCCC2)CC1CC1 ZINC000877907944 590445065 /nfs/dbraw/zinc/44/50/65/590445065.db2.gz LYOBVBANSFVOHV-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN CCCCN(CC)Cc1nc2c(o1)CCCC2 ZINC000877908355 590445513 /nfs/dbraw/zinc/44/55/13/590445513.db2.gz SJQNXDMCSLQROG-UHFFFAOYSA-N 0 1 236.359 3.175 20 0 BGADMN CCCC[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC000877908355 590445511 /nfs/dbraw/zinc/44/55/11/590445511.db2.gz SJQNXDMCSLQROG-UHFFFAOYSA-N 0 1 236.359 3.175 20 0 BGADMN CCCN(Cc1scnc1Cl)CC1CC1 ZINC000877908744 590445548 /nfs/dbraw/zinc/44/55/48/590445548.db2.gz ZGZHYEPJGIFTJG-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN CCC[N@H+](Cc1scnc1Cl)CC1CC1 ZINC000877908744 590445547 /nfs/dbraw/zinc/44/55/47/590445547.db2.gz ZGZHYEPJGIFTJG-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN C[C@@H]1CO[C@@H](C)CN1CCCSC(C)(C)C ZINC000877920839 590447709 /nfs/dbraw/zinc/44/77/09/590447709.db2.gz YBCXHAITIDXKHP-NEPJUHHUSA-N 0 1 245.432 3.017 20 0 BGADMN C[C@@H]1CN(CCCSC(C)(C)C)[C@@H](C)CO1 ZINC000877920840 590447431 /nfs/dbraw/zinc/44/74/31/590447431.db2.gz YBCXHAITIDXKHP-NWDGAFQWSA-N 0 1 245.432 3.017 20 0 BGADMN C[C@H]1CN(CCCSC(C)(C)C)[C@@H](C)CO1 ZINC000877920841 590447680 /nfs/dbraw/zinc/44/76/80/590447680.db2.gz YBCXHAITIDXKHP-RYUDHWBXSA-N 0 1 245.432 3.017 20 0 BGADMN C[C@@H]1CN(CCCSC(C)(C)C)[C@H](C)CO1 ZINC000877920842 590447292 /nfs/dbraw/zinc/44/72/92/590447292.db2.gz YBCXHAITIDXKHP-VXGBXAGGSA-N 0 1 245.432 3.017 20 0 BGADMN C=C/C=C/CCN1CCC[C@@H]1c1cc(C)on1 ZINC000877921453 590447445 /nfs/dbraw/zinc/44/74/45/590447445.db2.gz IABLFFUJOALUOS-ISZGNANSSA-N 0 1 232.327 3.252 20 0 BGADMN C=C/C=C/CCN1CCC[C@H]1c1cc(C)on1 ZINC000877921454 590447545 /nfs/dbraw/zinc/44/75/45/590447545.db2.gz IABLFFUJOALUOS-NNTXTVRGSA-N 0 1 232.327 3.252 20 0 BGADMN C=C/C=C\CCN1CCC[C@H]1c1cc(C)on1 ZINC000877921455 590447182 /nfs/dbraw/zinc/44/71/82/590447182.db2.gz IABLFFUJOALUOS-WSNITJDQSA-N 0 1 232.327 3.252 20 0 BGADMN C=C/C=C\CCN1CCC[C@@H]1c1cc(C)on1 ZINC000877921456 590447770 /nfs/dbraw/zinc/44/77/70/590447770.db2.gz IABLFFUJOALUOS-ZRUQZJFASA-N 0 1 232.327 3.252 20 0 BGADMN Cc1ccc(C[N@H+](C)C2CCCC2)nc1Cl ZINC000877925248 590448581 /nfs/dbraw/zinc/44/85/81/590448581.db2.gz WATNSFJHMSLWFB-UHFFFAOYSA-N 0 1 238.762 3.418 20 0 BGADMN CC[C@@H]1CCCN(Cc2scnc2Cl)C1 ZINC000877927577 590449091 /nfs/dbraw/zinc/44/90/91/590449091.db2.gz BRAGHPULCAFOMJ-SECBINFHSA-N 0 1 244.791 3.419 20 0 BGADMN CC[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000877927577 590449090 /nfs/dbraw/zinc/44/90/90/590449090.db2.gz BRAGHPULCAFOMJ-SECBINFHSA-N 0 1 244.791 3.419 20 0 BGADMN CC[C@H]1CCCN(Cc2scnc2Cl)C1 ZINC000877927578 590449222 /nfs/dbraw/zinc/44/92/22/590449222.db2.gz BRAGHPULCAFOMJ-VIFPVBQESA-N 0 1 244.791 3.419 20 0 BGADMN CC[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000877927578 590449220 /nfs/dbraw/zinc/44/92/20/590449220.db2.gz BRAGHPULCAFOMJ-VIFPVBQESA-N 0 1 244.791 3.419 20 0 BGADMN CC(C)[C@@H](C)N(C)Cc1scnc1Cl ZINC000877927586 590449440 /nfs/dbraw/zinc/44/94/40/590449440.db2.gz BWCDFDZHOJUHKZ-MRVPVSSYSA-N 0 1 232.780 3.273 20 0 BGADMN CC(C)[C@@H](C)[N@@H+](C)Cc1scnc1Cl ZINC000877927586 590449437 /nfs/dbraw/zinc/44/94/37/590449437.db2.gz BWCDFDZHOJUHKZ-MRVPVSSYSA-N 0 1 232.780 3.273 20 0 BGADMN CC(C)[C@H](C)N(C)Cc1scnc1Cl ZINC000877927587 590449292 /nfs/dbraw/zinc/44/92/92/590449292.db2.gz BWCDFDZHOJUHKZ-QMMMGPOBSA-N 0 1 232.780 3.273 20 0 BGADMN CC(C)[C@H](C)[N@@H+](C)Cc1scnc1Cl ZINC000877927587 590449289 /nfs/dbraw/zinc/44/92/89/590449289.db2.gz BWCDFDZHOJUHKZ-QMMMGPOBSA-N 0 1 232.780 3.273 20 0 BGADMN CC[C@@H]1CCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000877928027 590449210 /nfs/dbraw/zinc/44/92/10/590449210.db2.gz KRXMHHXYXNPKNC-GFCCVEGCSA-N 0 1 248.370 3.175 20 0 BGADMN CC[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000877928027 590449208 /nfs/dbraw/zinc/44/92/08/590449208.db2.gz KRXMHHXYXNPKNC-GFCCVEGCSA-N 0 1 248.370 3.175 20 0 BGADMN CC[C@H]1CCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000877928028 590449128 /nfs/dbraw/zinc/44/91/28/590449128.db2.gz KRXMHHXYXNPKNC-LBPRGKRZSA-N 0 1 248.370 3.175 20 0 BGADMN CC[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000877928028 590449127 /nfs/dbraw/zinc/44/91/27/590449127.db2.gz KRXMHHXYXNPKNC-LBPRGKRZSA-N 0 1 248.370 3.175 20 0 BGADMN CC(C)[C@@H](C)N(C)Cc1nc2c(o1)CCCC2 ZINC000877928830 590450438 /nfs/dbraw/zinc/45/04/38/590450438.db2.gz JZYBFGBHWFBYST-LLVKDONJSA-N 0 1 236.359 3.030 20 0 BGADMN CC(C)[C@H](C)N(C)Cc1nc2c(o1)CCCC2 ZINC000877928831 590449856 /nfs/dbraw/zinc/44/98/56/590449856.db2.gz JZYBFGBHWFBYST-NSHDSACASA-N 0 1 236.359 3.030 20 0 BGADMN C=C/C=C\CC[N@H+](C)Cc1cccs1 ZINC000877932037 590449945 /nfs/dbraw/zinc/44/99/45/590449945.db2.gz JYKQJZULFFJGLY-PLNGDYQASA-N 0 1 207.342 3.312 20 0 BGADMN C=C/C=C/CC[N@H+](C)Cc1cccs1 ZINC000877932039 590450077 /nfs/dbraw/zinc/45/00/77/590450077.db2.gz JYKQJZULFFJGLY-SNAWJCMRSA-N 0 1 207.342 3.312 20 0 BGADMN Cc1ccc(CN(C)C[C@@H]2CCC3(CCC3)O2)o1 ZINC000877933102 590450741 /nfs/dbraw/zinc/45/07/41/590450741.db2.gz DVJVHMXMQGYUDG-AWEZNQCLSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1ccc(C[N@@H+](C)C[C@@H]2CCC3(CCC3)O2)o1 ZINC000877933102 590450739 /nfs/dbraw/zinc/45/07/39/590450739.db2.gz DVJVHMXMQGYUDG-AWEZNQCLSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1ccc(CN(C)C[C@H]2CCC3(CCC3)O2)o1 ZINC000877933103 590451303 /nfs/dbraw/zinc/45/13/03/590451303.db2.gz DVJVHMXMQGYUDG-CQSZACIVSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1ccc(C[N@@H+](C)C[C@H]2CCC3(CCC3)O2)o1 ZINC000877933103 590451302 /nfs/dbraw/zinc/45/13/02/590451302.db2.gz DVJVHMXMQGYUDG-CQSZACIVSA-N 0 1 249.354 3.122 20 0 BGADMN C=C/C=C/CC[N@H+](C)Cc1ccc(C)o1 ZINC000877933154 590451186 /nfs/dbraw/zinc/45/11/86/590451186.db2.gz GMMTUIYUDJEJSO-AATRIKPKSA-N 0 1 205.301 3.152 20 0 BGADMN C=C/C=C\CC[N@H+](C)Cc1ccc(C)o1 ZINC000877933155 590450860 /nfs/dbraw/zinc/45/08/60/590450860.db2.gz GMMTUIYUDJEJSO-WAYWQWQTSA-N 0 1 205.301 3.152 20 0 BGADMN C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CCC2)O1 ZINC000877933556 590450772 /nfs/dbraw/zinc/45/07/72/590450772.db2.gz NSQRPIRBEJOQLA-HNNXBMFYSA-N 0 1 245.366 3.220 20 0 BGADMN C[N@H+](Cc1ccccc1)C[C@H]1CCC2(CCC2)O1 ZINC000877933557 590450662 /nfs/dbraw/zinc/45/06/62/590450662.db2.gz NSQRPIRBEJOQLA-OAHLLOKOSA-N 0 1 245.366 3.220 20 0 BGADMN C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877933710 590450757 /nfs/dbraw/zinc/45/07/57/590450757.db2.gz PPEKVHFFAVVESX-HRCADAONSA-N 0 1 245.366 3.076 20 0 BGADMN C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877933711 590450778 /nfs/dbraw/zinc/45/07/78/590450778.db2.gz PPEKVHFFAVVESX-JYJNAYRXSA-N 0 1 245.366 3.076 20 0 BGADMN C[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877933712 590450746 /nfs/dbraw/zinc/45/07/46/590450746.db2.gz PPEKVHFFAVVESX-OWCLPIDISA-N 0 1 245.366 3.076 20 0 BGADMN C[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877933713 590450716 /nfs/dbraw/zinc/45/07/16/590450716.db2.gz PPEKVHFFAVVESX-PMPSAXMXSA-N 0 1 245.366 3.076 20 0 BGADMN Cc1ccc(CN2CCC[C@H](C)C2)nc1Cl ZINC000877934103 590451359 /nfs/dbraw/zinc/45/13/59/590451359.db2.gz BLAKWCZEJNQTQP-JTQLQIEISA-N 0 1 238.762 3.275 20 0 BGADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)nc1Cl ZINC000877934103 590451358 /nfs/dbraw/zinc/45/13/58/590451358.db2.gz BLAKWCZEJNQTQP-JTQLQIEISA-N 0 1 238.762 3.275 20 0 BGADMN Cc1ccc(CN2CCC[C@@H](C)C2)nc1Cl ZINC000877934104 590451172 /nfs/dbraw/zinc/45/11/72/590451172.db2.gz BLAKWCZEJNQTQP-SNVBAGLBSA-N 0 1 238.762 3.275 20 0 BGADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)nc1Cl ZINC000877934104 590451170 /nfs/dbraw/zinc/45/11/70/590451170.db2.gz BLAKWCZEJNQTQP-SNVBAGLBSA-N 0 1 238.762 3.275 20 0 BGADMN C[C@@H]1C[C@H](C)CN(Cc2scnc2Cl)C1 ZINC000877934913 590452484 /nfs/dbraw/zinc/45/24/84/590452484.db2.gz MCDAACQBXKYSFU-DTORHVGOSA-N 0 1 244.791 3.274 20 0 BGADMN C[C@H]1C[C@H](C)CN(Cc2scnc2Cl)C1 ZINC000877934915 590451910 /nfs/dbraw/zinc/45/19/10/590451910.db2.gz MCDAACQBXKYSFU-IUCAKERBSA-N 0 1 244.791 3.274 20 0 BGADMN C[C@@H]1C[C@@H](C)CN(Cc2scnc2Cl)C1 ZINC000877934916 590452240 /nfs/dbraw/zinc/45/22/40/590452240.db2.gz MCDAACQBXKYSFU-RKDXNWHRSA-N 0 1 244.791 3.274 20 0 BGADMN CC[C@@H]1CCCCN1Cc1nc2c(o1)CCCC2 ZINC000877935490 590451834 /nfs/dbraw/zinc/45/18/34/590451834.db2.gz RYDLBWANBRUUIL-GFCCVEGCSA-N 0 1 248.370 3.318 20 0 BGADMN CC[C@H]1CCCCN1Cc1nc2c(o1)CCCC2 ZINC000877935492 583354333 /nfs/dbraw/zinc/35/43/33/583354333.db2.gz RYDLBWANBRUUIL-LBPRGKRZSA-N 0 1 248.370 3.318 20 0 BGADMN C[C@H]1C[C@H](C)CN(Cc2nc3c(o2)CCCC3)C1 ZINC000877935509 590452208 /nfs/dbraw/zinc/45/22/08/590452208.db2.gz SSCMIRSPNQSKHC-RYUDHWBXSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@@H]1C[C@H](C)CN(Cc2nc3c(o2)CCCC3)C1 ZINC000877935510 590452389 /nfs/dbraw/zinc/45/23/89/590452389.db2.gz SSCMIRSPNQSKHC-TXEJJXNPSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@@H]1C[C@@H](C)CN(Cc2nc3c(o2)CCCC3)C1 ZINC000877935512 590452302 /nfs/dbraw/zinc/45/23/02/590452302.db2.gz SSCMIRSPNQSKHC-VXGBXAGGSA-N 0 1 248.370 3.031 20 0 BGADMN CN(Cc1nc2c(o1)CCCC2)C1CCCCC1 ZINC000877935606 590451783 /nfs/dbraw/zinc/45/17/83/590451783.db2.gz UXSKVGHCYDLCCX-UHFFFAOYSA-N 0 1 248.370 3.318 20 0 BGADMN Cc1ccc(CN2CCCC[C@H]2C)nc1Cl ZINC000877935677 583354435 /nfs/dbraw/zinc/35/44/35/583354435.db2.gz MXHAJYNRKMFRDW-LLVKDONJSA-N 0 1 238.762 3.418 20 0 BGADMN Cc1ccc(CN2CCCC[C@@H]2C)nc1Cl ZINC000877935678 583354162 /nfs/dbraw/zinc/35/41/62/583354162.db2.gz MXHAJYNRKMFRDW-NSHDSACASA-N 0 1 238.762 3.418 20 0 BGADMN Cc1ccc(CN2CCC(C)CC2)nc1Cl ZINC000877936408 590452807 /nfs/dbraw/zinc/45/28/07/590452807.db2.gz ZBSGQGBDXHNPMB-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN Cc1ccc(CN2C3CCC2CC3)nc1Cl ZINC000877951476 590455559 /nfs/dbraw/zinc/45/55/59/590455559.db2.gz MCPIZSBGNUIZEG-UHFFFAOYSA-N 0 1 236.746 3.170 20 0 BGADMN CCC[C@@H](C)N(C)Cc1nc2c(o1)CCCC2 ZINC000877953370 590456671 /nfs/dbraw/zinc/45/66/71/590456671.db2.gz LLZJOBTZILYJSK-LLVKDONJSA-N 0 1 236.359 3.174 20 0 BGADMN CCC[C@H](C)N(C)Cc1nc2c(o1)CCCC2 ZINC000877953371 590456070 /nfs/dbraw/zinc/45/60/70/590456070.db2.gz LLZJOBTZILYJSK-NSHDSACASA-N 0 1 236.359 3.174 20 0 BGADMN CC[N@@H+](Cc1ccc(C)c(Cl)n1)C1CC1 ZINC000877953730 590456179 /nfs/dbraw/zinc/45/61/79/590456179.db2.gz CTWAHTOOUVIORW-UHFFFAOYSA-N 0 1 224.735 3.028 20 0 BGADMN CCN(Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000877954670 590456153 /nfs/dbraw/zinc/45/61/53/590456153.db2.gz NIJFITLTUHHXNL-UHFFFAOYSA-N 0 1 233.233 3.283 20 0 BGADMN C=C/C=C/CCN1CCO[C@H](c2ccccc2)C1 ZINC000877954798 590456175 /nfs/dbraw/zinc/45/61/75/590456175.db2.gz OHVIMVNKGKREFG-CWDCEQMOSA-N 0 1 243.350 3.192 20 0 BGADMN C=C/C=C\CCN1CCO[C@@H](c2ccccc2)C1 ZINC000877954799 590456094 /nfs/dbraw/zinc/45/60/94/590456094.db2.gz OHVIMVNKGKREFG-MJSXRHKHSA-N 0 1 243.350 3.192 20 0 BGADMN C=C/C=C/CCN1CCO[C@@H](c2ccccc2)C1 ZINC000877954800 590456401 /nfs/dbraw/zinc/45/64/01/590456401.db2.gz OHVIMVNKGKREFG-QDLOVBKTSA-N 0 1 243.350 3.192 20 0 BGADMN C=C/C=C\CCN1CCO[C@H](c2ccccc2)C1 ZINC000877954801 590456697 /nfs/dbraw/zinc/45/66/97/590456697.db2.gz OHVIMVNKGKREFG-QGZUEGPWSA-N 0 1 243.350 3.192 20 0 BGADMN CCCCCN(Cc1nocc1C)C(C)C ZINC000877956230 590457648 /nfs/dbraw/zinc/45/76/48/590457648.db2.gz KANSZGHVXJKFAR-UHFFFAOYSA-N 0 1 224.348 3.384 20 0 BGADMN CCN(Cc1scnc1Cl)CC(C)C ZINC000877957606 590457847 /nfs/dbraw/zinc/45/78/47/590457847.db2.gz CJJPCSPOAUGRTQ-UHFFFAOYSA-N 0 1 232.780 3.274 20 0 BGADMN CC(C)CN(Cc1nc2c(o1)CCCC2)C1CC1 ZINC000877959063 590458317 /nfs/dbraw/zinc/45/83/17/590458317.db2.gz YGBVBWFBSYAFLB-UHFFFAOYSA-N 0 1 248.370 3.174 20 0 BGADMN CC[C@@H]1CN(CCCSC(C)(C)C)CCO1 ZINC000877959104 590458523 /nfs/dbraw/zinc/45/85/23/590458523.db2.gz ZSKUVYVRNSBCOH-GFCCVEGCSA-N 0 1 245.432 3.019 20 0 BGADMN CC[C@H]1CN(CCCSC(C)(C)C)CCO1 ZINC000877959105 590458757 /nfs/dbraw/zinc/45/87/57/590458757.db2.gz ZSKUVYVRNSBCOH-LBPRGKRZSA-N 0 1 245.432 3.019 20 0 BGADMN CCN(Cc1nc2c(o1)CCCC2)CC(C)C ZINC000877959296 590458715 /nfs/dbraw/zinc/45/87/15/590458715.db2.gz UULQOHUNHZEMAI-UHFFFAOYSA-N 0 1 236.359 3.031 20 0 BGADMN CCC(CC)CN(CC)Cc1nocc1C ZINC000877960375 590458100 /nfs/dbraw/zinc/45/81/00/590458100.db2.gz NOTWMXDVLTZHHE-UHFFFAOYSA-N 0 1 224.348 3.241 20 0 BGADMN CCCN(CCC)Cc1nc2c(o1)CCCC2 ZINC000877961690 590459728 /nfs/dbraw/zinc/45/97/28/590459728.db2.gz VEXAILQWNBWLCR-UHFFFAOYSA-N 0 1 236.359 3.175 20 0 BGADMN CCCN(CCC)Cc1scnc1Cl ZINC000877961880 590459706 /nfs/dbraw/zinc/45/97/06/590459706.db2.gz XZHAGRLYXZMOPK-UHFFFAOYSA-N 0 1 232.780 3.419 20 0 BGADMN Cc1conc1CN(C1CC1)C1CCCCC1 ZINC000877964059 583355574 /nfs/dbraw/zinc/35/55/74/583355574.db2.gz CICGOTKPWIWKDW-UHFFFAOYSA-N 0 1 234.343 3.280 20 0 BGADMN CCN(Cc1nc2c(o1)CCCC2)C1CCCC1 ZINC000877968662 590461475 /nfs/dbraw/zinc/46/14/75/590461475.db2.gz PJRPUIBLSTXSJQ-UHFFFAOYSA-N 0 1 248.370 3.318 20 0 BGADMN CCN(CCc1ccccc1)Cc1nocc1C ZINC000877971458 590462353 /nfs/dbraw/zinc/46/23/53/590462353.db2.gz YNVDBNZTCFPQPA-UHFFFAOYSA-N 0 1 244.338 3.048 20 0 BGADMN CN(Cc1noc2c1CC(C)(C)CC2)CC1CC1 ZINC000877972586 590462884 /nfs/dbraw/zinc/46/28/84/590462884.db2.gz LDZKDWNPWMFZRF-UHFFFAOYSA-N 0 1 248.370 3.031 20 0 BGADMN CC[N@@H+](Cc1ccc(C)c(Cl)n1)C(C)C ZINC000877983496 590465599 /nfs/dbraw/zinc/46/55/99/590465599.db2.gz MXLDMXPDLSIRFR-UHFFFAOYSA-N 0 1 226.751 3.274 20 0 BGADMN C=C/C=C\CC[N@H+]1CCOc2ccccc2C1 ZINC000877984801 590465710 /nfs/dbraw/zinc/46/57/10/590465710.db2.gz OUCRLKVQHINRAN-ARJAWSKDSA-N 0 1 229.323 3.013 20 0 BGADMN C=C/C=C/CC[N@H+]1CCOc2ccccc2C1 ZINC000877984802 590465716 /nfs/dbraw/zinc/46/57/16/590465716.db2.gz OUCRLKVQHINRAN-ONEGZZNKSA-N 0 1 229.323 3.013 20 0 BGADMN CN(Cc1ccoc1)C[C@H]1CCCC(C)(C)O1 ZINC000877988877 590466702 /nfs/dbraw/zinc/46/67/02/590466702.db2.gz PPBXGPZXUXZQBR-CYBMUJFWSA-N 0 1 237.343 3.059 20 0 BGADMN CN(Cc1ccoc1)C[C@@H]1CCCC(C)(C)O1 ZINC000877988878 590466931 /nfs/dbraw/zinc/46/69/31/590466931.db2.gz PPBXGPZXUXZQBR-ZDUSSCGKSA-N 0 1 237.343 3.059 20 0 BGADMN Cc1occc1CN(C)C[C@@H]1CCC2(CCC2)O1 ZINC000877991165 590467598 /nfs/dbraw/zinc/46/75/98/590467598.db2.gz FRPUEBMTKKMEBN-AWEZNQCLSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1occc1CN(C)C[C@H]1CCC2(CCC2)O1 ZINC000877991166 590468244 /nfs/dbraw/zinc/46/82/44/590468244.db2.gz FRPUEBMTKKMEBN-CQSZACIVSA-N 0 1 249.354 3.122 20 0 BGADMN C=C/C=C/CC[N@H+](C)Cc1ccoc1C ZINC000877992661 590468229 /nfs/dbraw/zinc/46/82/29/590468229.db2.gz YLNUOIWLCYNOKV-AATRIKPKSA-N 0 1 205.301 3.152 20 0 BGADMN C=C/C=C\CC[N@H+](C)Cc1ccoc1C ZINC000877992662 590467504 /nfs/dbraw/zinc/46/75/04/590467504.db2.gz YLNUOIWLCYNOKV-WAYWQWQTSA-N 0 1 205.301 3.152 20 0 BGADMN CC(C)[C@H]1CCCN1Cc1scnc1Cl ZINC000877995520 590468357 /nfs/dbraw/zinc/46/83/57/590468357.db2.gz IAJZDVKUMRWDTM-SECBINFHSA-N 0 1 244.791 3.417 20 0 BGADMN CC(C)[C@@H]1CCCN1Cc1scnc1Cl ZINC000877995522 590468502 /nfs/dbraw/zinc/46/85/02/590468502.db2.gz IAJZDVKUMRWDTM-VIFPVBQESA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CCCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000878002028 590469968 /nfs/dbraw/zinc/46/99/68/590469968.db2.gz LCVKICAEVBXMAL-GFCCVEGCSA-N 0 1 248.370 3.175 20 0 BGADMN C[C@H]1CCCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000878002029 590470054 /nfs/dbraw/zinc/47/00/54/590470054.db2.gz LCVKICAEVBXMAL-LBPRGKRZSA-N 0 1 248.370 3.175 20 0 BGADMN C[C@@H]1CCCN(Cc2scnc2Cl)CC1 ZINC000878002160 590470255 /nfs/dbraw/zinc/47/02/55/590470255.db2.gz PDNCTMFKFQQXRA-SECBINFHSA-N 0 1 244.791 3.419 20 0 BGADMN C[C@H]1CCCN(Cc2scnc2Cl)CC1 ZINC000878002161 590470295 /nfs/dbraw/zinc/47/02/95/590470295.db2.gz PDNCTMFKFQQXRA-VIFPVBQESA-N 0 1 244.791 3.419 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@H]1CC2(CCC2)CO1 ZINC000878002843 590471192 /nfs/dbraw/zinc/47/11/92/590471192.db2.gz LWSGDAKCNDEAPS-CHWSQXEVSA-N 0 1 249.354 3.232 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878002844 590470893 /nfs/dbraw/zinc/47/08/93/590470893.db2.gz LWSGDAKCNDEAPS-OLZOCXBDSA-N 0 1 249.354 3.232 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@H]1CC2(CCC2)CO1 ZINC000878002845 590471104 /nfs/dbraw/zinc/47/11/04/590471104.db2.gz LWSGDAKCNDEAPS-QWHCGFSZSA-N 0 1 249.354 3.232 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878002846 590470807 /nfs/dbraw/zinc/47/08/07/590470807.db2.gz LWSGDAKCNDEAPS-STQMWFEESA-N 0 1 249.354 3.232 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878003027 590471160 /nfs/dbraw/zinc/47/11/60/590471160.db2.gz SAWRWGATCLRGDN-CXTNEJHOSA-N 0 1 249.354 3.230 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878003028 590470684 /nfs/dbraw/zinc/47/06/84/590470684.db2.gz SAWRWGATCLRGDN-GUIRCDHDSA-N 0 1 249.354 3.230 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878003029 590471141 /nfs/dbraw/zinc/47/11/41/590471141.db2.gz SAWRWGATCLRGDN-OSFYFWSMSA-N 0 1 249.354 3.230 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878003030 590470494 /nfs/dbraw/zinc/47/04/94/590470494.db2.gz SAWRWGATCLRGDN-UKTARXLSSA-N 0 1 249.354 3.230 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@H]1CCC2(CCC2)O1 ZINC000878003192 590470512 /nfs/dbraw/zinc/47/05/12/590470512.db2.gz XLIOXNKLXWAHSP-CHWSQXEVSA-N 0 1 249.354 3.374 20 0 BGADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCC2(CCC2)O1 ZINC000878003193 590471135 /nfs/dbraw/zinc/47/11/35/590471135.db2.gz XLIOXNKLXWAHSP-OLZOCXBDSA-N 0 1 249.354 3.374 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@H]1CCC2(CCC2)O1 ZINC000878003194 590470486 /nfs/dbraw/zinc/47/04/86/590470486.db2.gz XLIOXNKLXWAHSP-QWHCGFSZSA-N 0 1 249.354 3.374 20 0 BGADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CCC2(CCC2)O1 ZINC000878003195 590470861 /nfs/dbraw/zinc/47/08/61/590470861.db2.gz XLIOXNKLXWAHSP-STQMWFEESA-N 0 1 249.354 3.374 20 0 BGADMN CCC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878013476 590472252 /nfs/dbraw/zinc/47/22/52/590472252.db2.gz IRIGRLXXKAYFHY-UHFFFAOYSA-N 0 1 221.222 3.140 20 0 BGADMN CN(Cc1scnc1Cl)CC1CCCC1 ZINC000878013775 590471753 /nfs/dbraw/zinc/47/17/53/590471753.db2.gz DKJAXDINQYSHQD-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN C[N@H+](Cc1scnc1Cl)CC1CCCC1 ZINC000878013775 590471752 /nfs/dbraw/zinc/47/17/52/590471752.db2.gz DKJAXDINQYSHQD-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN CN(Cc1nc2c(o1)CCCC2)CC1CCCC1 ZINC000878014865 590471853 /nfs/dbraw/zinc/47/18/53/590471853.db2.gz RGGVSIGPECZSHT-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN C[N@H+](Cc1nc2c(o1)CCCC2)CC1CCCC1 ZINC000878014865 590471851 /nfs/dbraw/zinc/47/18/51/590471851.db2.gz RGGVSIGPECZSHT-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN C[C@@H]1CCN(Cc2noc3c2CC(C)(C)CC3)C1 ZINC000878030593 590474686 /nfs/dbraw/zinc/47/46/86/590474686.db2.gz BWCROIBLWJDCFY-LLVKDONJSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@H]1CCN(Cc2noc3c2CC(C)(C)CC3)C1 ZINC000878030594 590474549 /nfs/dbraw/zinc/47/45/49/590474549.db2.gz BWCROIBLWJDCFY-NSHDSACASA-N 0 1 248.370 3.031 20 0 BGADMN C[C@@H]1CCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000878031249 590475356 /nfs/dbraw/zinc/47/53/56/590475356.db2.gz UNCALDANFHXISB-MRVPVSSYSA-N 0 1 233.233 3.140 20 0 BGADMN C[C@H]1CCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000878031250 590475043 /nfs/dbraw/zinc/47/50/43/590475043.db2.gz UNCALDANFHXISB-QMMMGPOBSA-N 0 1 233.233 3.140 20 0 BGADMN Cc1conc1CN(C)CCC1CCCCC1 ZINC000878033496 590475789 /nfs/dbraw/zinc/47/57/89/590475789.db2.gz RIZGEXIRSNGNQK-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1CCC2(CCC2)O1 ZINC000878035911 590476756 /nfs/dbraw/zinc/47/67/56/590476756.db2.gz CIYZEPJAGCHORA-AWEZNQCLSA-N 0 1 249.354 3.203 20 0 BGADMN CCN(Cc1ccoc1)C[C@H]1CCC2(CCC2)O1 ZINC000878035912 590477480 /nfs/dbraw/zinc/47/74/80/590477480.db2.gz CIYZEPJAGCHORA-CQSZACIVSA-N 0 1 249.354 3.203 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878036500 590476893 /nfs/dbraw/zinc/47/68/93/590476893.db2.gz MHHWYONTVLWVLP-ILXRZTDVSA-N 0 1 249.354 3.059 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878036501 590477380 /nfs/dbraw/zinc/47/73/80/590477380.db2.gz MHHWYONTVLWVLP-KKUMJFAQSA-N 0 1 249.354 3.059 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878036502 590477258 /nfs/dbraw/zinc/47/72/58/590477258.db2.gz MHHWYONTVLWVLP-QLFBSQMISA-N 0 1 249.354 3.059 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878036503 590476773 /nfs/dbraw/zinc/47/67/73/590476773.db2.gz MHHWYONTVLWVLP-SOUVJXGZSA-N 0 1 249.354 3.059 20 0 BGADMN CCN(Cc1ccoc1)C[C@@H]1CC2(CCC2)CO1 ZINC000878036623 590477184 /nfs/dbraw/zinc/47/71/84/590477184.db2.gz OKVYCMHNVXPZFJ-AWEZNQCLSA-N 0 1 249.354 3.061 20 0 BGADMN CCN(Cc1ccoc1)C[C@H]1CC2(CCC2)CO1 ZINC000878036625 590477311 /nfs/dbraw/zinc/47/73/11/590477311.db2.gz OKVYCMHNVXPZFJ-CQSZACIVSA-N 0 1 249.354 3.061 20 0 BGADMN CCC(CC)N(Cc1nocc1C)C1CC1 ZINC000878037639 590477629 /nfs/dbraw/zinc/47/76/29/590477629.db2.gz WCVJVWWYBDPBBC-UHFFFAOYSA-N 0 1 222.332 3.136 20 0 BGADMN CC1(C)CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000878038393 590477394 /nfs/dbraw/zinc/47/73/94/590477394.db2.gz JJBPVIIPMFPOMT-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN Cc1conc1CN(C)C[C@@H](C)c1ccccc1 ZINC000878045501 590480217 /nfs/dbraw/zinc/48/02/17/590480217.db2.gz WADAFYZQOCPCQV-GFCCVEGCSA-N 0 1 244.338 3.219 20 0 BGADMN Cc1conc1CN(C)C[C@H](C)c1ccccc1 ZINC000878045502 590480149 /nfs/dbraw/zinc/48/01/49/590480149.db2.gz WADAFYZQOCPCQV-LBPRGKRZSA-N 0 1 244.338 3.219 20 0 BGADMN CC[C@@H]1CCCN1Cc1scnc1Cl ZINC000878046198 590479789 /nfs/dbraw/zinc/47/97/89/590479789.db2.gz SKPICCAOADAOTE-MRVPVSSYSA-N 0 1 230.764 3.171 20 0 BGADMN CC[C@H]1CCCN1Cc1scnc1Cl ZINC000878046199 590480277 /nfs/dbraw/zinc/48/02/77/590480277.db2.gz SKPICCAOADAOTE-QMMMGPOBSA-N 0 1 230.764 3.171 20 0 BGADMN Cc1ccc(CN2CCCC2(C)C)nc1Cl ZINC000878047165 590481794 /nfs/dbraw/zinc/48/17/94/590481794.db2.gz CDWYUJGWNUJBLE-UHFFFAOYSA-N 0 1 238.762 3.418 20 0 BGADMN CC1(C)CCCN1Cc1scnc1Cl ZINC000878047651 590481705 /nfs/dbraw/zinc/48/17/05/590481705.db2.gz HFWJXLAPCWIJTA-UHFFFAOYSA-N 0 1 230.764 3.171 20 0 BGADMN Clc1ncsc1CN1CCC[C@@H]1C1CC1 ZINC000878049265 590481788 /nfs/dbraw/zinc/48/17/88/590481788.db2.gz HMLIVIXVIKXNSF-SECBINFHSA-N 0 1 242.775 3.171 20 0 BGADMN Clc1ncsc1CN1CCC[C@H]1C1CC1 ZINC000878049268 590481874 /nfs/dbraw/zinc/48/18/74/590481874.db2.gz HMLIVIXVIKXNSF-VIFPVBQESA-N 0 1 242.775 3.171 20 0 BGADMN CC[C@H](C)[C@@H](C)N(Cc1nocc1C)C1CC1 ZINC000878056236 590484799 /nfs/dbraw/zinc/48/47/99/590484799.db2.gz CIMUCTLBPDFMFP-CMPLNLGQSA-N 0 1 236.359 3.382 20 0 BGADMN CC[C@H](C)[C@H](C)N(Cc1nocc1C)C1CC1 ZINC000878056239 590484745 /nfs/dbraw/zinc/48/47/45/590484745.db2.gz CIMUCTLBPDFMFP-JQWIXIFHSA-N 0 1 236.359 3.382 20 0 BGADMN CC[C@@H](C)[C@H](C)N(Cc1nocc1C)C1CC1 ZINC000878056242 590484835 /nfs/dbraw/zinc/48/48/35/590484835.db2.gz CIMUCTLBPDFMFP-PWSUYJOCSA-N 0 1 236.359 3.382 20 0 BGADMN CC[C@@H](C)[C@@H](C)N(Cc1nocc1C)C1CC1 ZINC000878056245 590484391 /nfs/dbraw/zinc/48/43/91/590484391.db2.gz CIMUCTLBPDFMFP-ZYHUDNBSSA-N 0 1 236.359 3.382 20 0 BGADMN c1ccc2c(c1)CN(C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878078623 590487901 /nfs/dbraw/zinc/48/79/01/590487901.db2.gz FMCKFBBBXPICET-HNNXBMFYSA-N 0 1 243.350 3.104 20 0 BGADMN c1ccc2c(c1)CN(C[C@H]1CCC3(CCC3)O1)C2 ZINC000878078624 590487692 /nfs/dbraw/zinc/48/76/92/590487692.db2.gz FMCKFBBBXPICET-OAHLLOKOSA-N 0 1 243.350 3.104 20 0 BGADMN CC1(C)CCC[C@@H](CN2Cc3ccccc3C2)O1 ZINC000878078636 590488182 /nfs/dbraw/zinc/48/81/82/590488182.db2.gz FRIZTVSIYHLWLG-HNNXBMFYSA-N 0 1 245.366 3.350 20 0 BGADMN CC1(C)CCC[C@H](CN2Cc3ccccc3C2)O1 ZINC000878078637 590487343 /nfs/dbraw/zinc/48/73/43/590487343.db2.gz FRIZTVSIYHLWLG-OAHLLOKOSA-N 0 1 245.366 3.350 20 0 BGADMN CC1(C)CC[C@@H](CN2Cc3ccccc3C2)OC1 ZINC000878079282 590487285 /nfs/dbraw/zinc/48/72/85/590487285.db2.gz TVVLNXXDEATEQM-HNNXBMFYSA-N 0 1 245.366 3.207 20 0 BGADMN CC1(C)CC[C@H](CN2Cc3ccccc3C2)OC1 ZINC000878079283 590487317 /nfs/dbraw/zinc/48/73/17/590487317.db2.gz TVVLNXXDEATEQM-OAHLLOKOSA-N 0 1 245.366 3.207 20 0 BGADMN C[C@H]1CCC[C@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878088203 590490942 /nfs/dbraw/zinc/49/09/42/590490942.db2.gz ILZOYIWQVAXNBA-RYUDHWBXSA-N 0 1 248.370 3.316 20 0 BGADMN C[C@@H]1CCC[C@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878088204 590490380 /nfs/dbraw/zinc/49/03/80/590490380.db2.gz ILZOYIWQVAXNBA-TXEJJXNPSA-N 0 1 248.370 3.316 20 0 BGADMN C[C@@H]1CCC[C@@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878088205 590490767 /nfs/dbraw/zinc/49/07/67/590490767.db2.gz ILZOYIWQVAXNBA-VXGBXAGGSA-N 0 1 248.370 3.316 20 0 BGADMN CC[C@@H](C)CN(C)Cc1nc2c(o1)CCCC2 ZINC000878094739 590492114 /nfs/dbraw/zinc/49/21/14/590492114.db2.gz XPEQDWIVRSRACO-LLVKDONJSA-N 0 1 236.359 3.031 20 0 BGADMN CC[C@H](C)CN(C)Cc1nc2c(o1)CCCC2 ZINC000878094740 590491650 /nfs/dbraw/zinc/49/16/50/590491650.db2.gz XPEQDWIVRSRACO-NSHDSACASA-N 0 1 236.359 3.031 20 0 BGADMN CC[C@@H](C)CN(C)Cc1scnc1Cl ZINC000878095025 590491537 /nfs/dbraw/zinc/49/15/37/590491537.db2.gz ZOZXFRKWXUNORL-MRVPVSSYSA-N 0 1 232.780 3.274 20 0 BGADMN CC[C@H](C)CN(C)Cc1scnc1Cl ZINC000878095026 590491253 /nfs/dbraw/zinc/49/12/53/590491253.db2.gz ZOZXFRKWXUNORL-QMMMGPOBSA-N 0 1 232.780 3.274 20 0 BGADMN C[C@@H]1CCCCCN1Cc1nc2c(o1)CCCC2 ZINC000878105487 590495313 /nfs/dbraw/zinc/49/53/13/590495313.db2.gz GGJAZXAIKXCXOU-GFCCVEGCSA-N 0 1 248.370 3.318 20 0 BGADMN C[C@H]1CCCCCN1Cc1nc2c(o1)CCCC2 ZINC000878105488 590495398 /nfs/dbraw/zinc/49/53/98/590495398.db2.gz GGJAZXAIKXCXOU-LBPRGKRZSA-N 0 1 248.370 3.318 20 0 BGADMN Cc1conc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000878107366 590495851 /nfs/dbraw/zinc/49/58/51/590495851.db2.gz YGCGNYZIOKOPPX-HNNXBMFYSA-N 0 1 246.354 3.305 20 0 BGADMN Cc1conc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000878107371 590496261 /nfs/dbraw/zinc/49/62/61/590496261.db2.gz YGCGNYZIOKOPPX-OAHLLOKOSA-N 0 1 246.354 3.305 20 0 BGADMN CC[C@@H]1COCCN1CCCSC(C)(C)C ZINC000878109304 590495871 /nfs/dbraw/zinc/49/58/71/590495871.db2.gz TWWQHFWIEMBKQL-GFCCVEGCSA-N 0 1 245.432 3.019 20 0 BGADMN CC[C@H]1COCCN1CCCSC(C)(C)C ZINC000878109305 590496516 /nfs/dbraw/zinc/49/65/16/590496516.db2.gz TWWQHFWIEMBKQL-LBPRGKRZSA-N 0 1 245.432 3.019 20 0 BGADMN Cc1conc1CN1CCC(C(C)(C)C)CC1 ZINC000878112157 590497461 /nfs/dbraw/zinc/49/74/61/590497461.db2.gz YNRJCEJEBMZUBG-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN Cc1conc1CN1CCC2(CCCC2)CC1 ZINC000878121908 590499454 /nfs/dbraw/zinc/49/94/54/590499454.db2.gz QORGEEZGOLQZAD-UHFFFAOYSA-N 0 1 234.343 3.139 20 0 BGADMN C[C@@H]1C[C@@H](C)N(Cc2scnc2Cl)C1 ZINC000878124155 590500194 /nfs/dbraw/zinc/50/01/94/590500194.db2.gz CQWNQHLAEGEWAZ-HTQZYQBOSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@@H]1C[C@H](C)CN1Cc1scnc1Cl ZINC000878124156 590500400 /nfs/dbraw/zinc/50/04/00/590500400.db2.gz CQWNQHLAEGEWAZ-JGVFFNPUSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@@H]1C[C@H](C)N(Cc2scnc2Cl)C1 ZINC000878124157 590499889 /nfs/dbraw/zinc/49/98/89/590499889.db2.gz CQWNQHLAEGEWAZ-SFYZADRCSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@H]1C[C@H](C)N(Cc2scnc2Cl)C1 ZINC000878124158 590499783 /nfs/dbraw/zinc/49/97/83/590499783.db2.gz CQWNQHLAEGEWAZ-YUMQZZPRSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@@H](CN(C)Cc1ccon1)CC(C)(C)C ZINC000878125592 590501073 /nfs/dbraw/zinc/50/10/73/590501073.db2.gz OZLRZXOEOUWBSD-LLVKDONJSA-N 0 1 224.348 3.179 20 0 BGADMN C[C@H](CN(C)Cc1ccon1)CC(C)(C)C ZINC000878125593 583363595 /nfs/dbraw/zinc/36/35/95/583363595.db2.gz OZLRZXOEOUWBSD-NSHDSACASA-N 0 1 224.348 3.179 20 0 BGADMN C[C@@H]1CCCN(Cc2nc3c(o2)CCCC3)[C@H]1C ZINC000878130875 590502251 /nfs/dbraw/zinc/50/22/51/590502251.db2.gz VSTDYPNVYVDDFB-NEPJUHHUSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1[C@@H](C)CCCN1Cc1nc2c(o1)CCCC2 ZINC000878130877 590502528 /nfs/dbraw/zinc/50/25/28/590502528.db2.gz VSTDYPNVYVDDFB-NWDGAFQWSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@H]1CCCN(Cc2nc3c(o2)CCCC3)[C@H]1C ZINC000878130879 590502701 /nfs/dbraw/zinc/50/27/01/590502701.db2.gz VSTDYPNVYVDDFB-RYUDHWBXSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1CCCN(Cc2nc3c(o2)CCCC3)[C@@H]1C ZINC000878130881 590503134 /nfs/dbraw/zinc/50/31/34/590503134.db2.gz VSTDYPNVYVDDFB-VXGBXAGGSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1CCCN(Cc2scnc2Cl)[C@H]1C ZINC000878131302 590502782 /nfs/dbraw/zinc/50/27/82/590502782.db2.gz ZYUALEMMFJPCOW-BDAKNGLRSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1[C@@H](C)CCCN1Cc1scnc1Cl ZINC000878131303 590502195 /nfs/dbraw/zinc/50/21/95/590502195.db2.gz ZYUALEMMFJPCOW-DTWKUNHWSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@H]1CCCN(Cc2scnc2Cl)[C@H]1C ZINC000878131304 590502824 /nfs/dbraw/zinc/50/28/24/590502824.db2.gz ZYUALEMMFJPCOW-IUCAKERBSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CCCN(Cc2scnc2Cl)[C@@H]1C ZINC000878131305 590502335 /nfs/dbraw/zinc/50/23/35/590502335.db2.gz ZYUALEMMFJPCOW-RKDXNWHRSA-N 0 1 244.791 3.417 20 0 BGADMN Cc1conc1CN1CCC2(C1)CCCCC2 ZINC000878134626 590504504 /nfs/dbraw/zinc/50/45/04/590504504.db2.gz IYPPTPPQAFSKRL-UHFFFAOYSA-N 0 1 234.343 3.139 20 0 BGADMN Cc1ccc(CN2CCC(C)(C)C2)nc1Cl ZINC000878147816 590505891 /nfs/dbraw/zinc/50/58/91/590505891.db2.gz BPFNTLYSCDOEGS-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN C[C@@H]1CCCN1Cc1noc2c1CC(C)(C)CC2 ZINC000878150048 590506566 /nfs/dbraw/zinc/50/65/66/590506566.db2.gz FAAMXJWLSHTPOX-LLVKDONJSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@H]1CCCN1Cc1noc2c1CC(C)(C)CC2 ZINC000878150049 590506539 /nfs/dbraw/zinc/50/65/39/590506539.db2.gz FAAMXJWLSHTPOX-NSHDSACASA-N 0 1 248.370 3.174 20 0 BGADMN Cc1ccc(CN2CCC[C@@H]2C)nc1Cl ZINC000878150986 590507072 /nfs/dbraw/zinc/50/70/72/590507072.db2.gz RVCWYXUZZHRSJF-JTQLQIEISA-N 0 1 224.735 3.028 20 0 BGADMN Cc1ccc(CN2CCC[C@H]2C)nc1Cl ZINC000878150987 590506874 /nfs/dbraw/zinc/50/68/74/590506874.db2.gz RVCWYXUZZHRSJF-SNVBAGLBSA-N 0 1 224.735 3.028 20 0 BGADMN CCC[C@@]1(C)CCCN(Cc2nocc2C)C1 ZINC000878151835 590507670 /nfs/dbraw/zinc/50/76/70/590507670.db2.gz FHSXFQGJTDLLGU-AWEZNQCLSA-N 0 1 236.359 3.385 20 0 BGADMN CCC[C@]1(C)CCCN(Cc2nocc2C)C1 ZINC000878151836 590507945 /nfs/dbraw/zinc/50/79/45/590507945.db2.gz FHSXFQGJTDLLGU-CQSZACIVSA-N 0 1 236.359 3.385 20 0 BGADMN C=C/C=C/CCN1CCOC[C@H]1c1ccccc1 ZINC000878153237 590507991 /nfs/dbraw/zinc/50/79/91/590507991.db2.gz MQHVERLOGIRZLK-CWDCEQMOSA-N 0 1 243.350 3.192 20 0 BGADMN C=C/C=C\CCN1CCOC[C@@H]1c1ccccc1 ZINC000878153239 590508157 /nfs/dbraw/zinc/50/81/57/590508157.db2.gz MQHVERLOGIRZLK-MJSXRHKHSA-N 0 1 243.350 3.192 20 0 BGADMN C=C/C=C/CCN1CCOC[C@@H]1c1ccccc1 ZINC000878153240 590508423 /nfs/dbraw/zinc/50/84/23/590508423.db2.gz MQHVERLOGIRZLK-QDLOVBKTSA-N 0 1 243.350 3.192 20 0 BGADMN C=C/C=C\CCN1CCOC[C@H]1c1ccccc1 ZINC000878153241 590508062 /nfs/dbraw/zinc/50/80/62/590508062.db2.gz MQHVERLOGIRZLK-QGZUEGPWSA-N 0 1 243.350 3.192 20 0 BGADMN C[C@@H]1CC[C@H](C)N(Cc2nc3c(o2)CCCC3)C1 ZINC000878153259 590508489 /nfs/dbraw/zinc/50/84/89/590508489.db2.gz MYSMIEAYDYXEGV-NEPJUHHUSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1CC[C@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878153260 590508404 /nfs/dbraw/zinc/50/84/04/590508404.db2.gz MYSMIEAYDYXEGV-NWDGAFQWSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@H]1CC[C@H](C)N(Cc2nc3c(o2)CCCC3)C1 ZINC000878153261 590508336 /nfs/dbraw/zinc/50/83/36/590508336.db2.gz MYSMIEAYDYXEGV-RYUDHWBXSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1CC[C@@H](C)N(Cc2nc3c(o2)CCCC3)C1 ZINC000878153262 590508477 /nfs/dbraw/zinc/50/84/77/590508477.db2.gz MYSMIEAYDYXEGV-VXGBXAGGSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1CC[C@H](C)N(Cc2scnc2Cl)C1 ZINC000878154181 590508047 /nfs/dbraw/zinc/50/80/47/590508047.db2.gz VHKGFGPVMKVQLQ-BDAKNGLRSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CC[C@H](C)CN1Cc1scnc1Cl ZINC000878154182 590508319 /nfs/dbraw/zinc/50/83/19/590508319.db2.gz VHKGFGPVMKVQLQ-DTWKUNHWSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@H]1CC[C@H](C)N(Cc2scnc2Cl)C1 ZINC000878154183 583362829 /nfs/dbraw/zinc/36/28/29/583362829.db2.gz VHKGFGPVMKVQLQ-IUCAKERBSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2scnc2Cl)C1 ZINC000878154183 583362827 /nfs/dbraw/zinc/36/28/27/583362827.db2.gz VHKGFGPVMKVQLQ-IUCAKERBSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CC[C@@H](C)N(Cc2scnc2Cl)C1 ZINC000878154184 583363585 /nfs/dbraw/zinc/36/35/85/583363585.db2.gz VHKGFGPVMKVQLQ-RKDXNWHRSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2scnc2Cl)C1 ZINC000878154184 583363583 /nfs/dbraw/zinc/36/35/83/583363583.db2.gz VHKGFGPVMKVQLQ-RKDXNWHRSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@H]1C[C@@H](C)CN1Cc1scnc1Cl ZINC000878155955 590508720 /nfs/dbraw/zinc/50/87/20/590508720.db2.gz VCBGWVAAVKXHLR-BDAKNGLRSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H]1C[C@H](C)CN1Cc1scnc1Cl ZINC000878155956 590509345 /nfs/dbraw/zinc/50/93/45/590509345.db2.gz VCBGWVAAVKXHLR-DTWKUNHWSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@H]1C[C@H](C)CN1Cc1scnc1Cl ZINC000878155957 590508812 /nfs/dbraw/zinc/50/88/12/590508812.db2.gz VCBGWVAAVKXHLR-IUCAKERBSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H]1C[C@@H](C)CN1Cc1scnc1Cl ZINC000878155958 583363104 /nfs/dbraw/zinc/36/31/04/583363104.db2.gz VCBGWVAAVKXHLR-RKDXNWHRSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1scnc1Cl ZINC000878155958 583363100 /nfs/dbraw/zinc/36/31/00/583363100.db2.gz VCBGWVAAVKXHLR-RKDXNWHRSA-N 0 1 244.791 3.417 20 0 BGADMN CN(Cc1nccs1)CC1CC2(CCC2)C1 ZINC000878156946 590508780 /nfs/dbraw/zinc/50/87/80/590508780.db2.gz ZPBXRYDHXFTDEQ-UHFFFAOYSA-N 0 1 236.384 3.155 20 0 BGADMN C[C@H]1CN(Cc2scnc2Cl)C(C)(C)C1 ZINC000878159194 590510717 /nfs/dbraw/zinc/51/07/17/590510717.db2.gz VCUXEROVQJJSRI-MRVPVSSYSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CN(Cc2scnc2Cl)C(C)(C)C1 ZINC000878159196 590510656 /nfs/dbraw/zinc/51/06/56/590510656.db2.gz VCUXEROVQJJSRI-QMMMGPOBSA-N 0 1 244.791 3.417 20 0 BGADMN CCc1cnc(CN(C)CCCC2CC2)s1 ZINC000878160605 590510477 /nfs/dbraw/zinc/51/04/77/590510477.db2.gz CTYKVDDBJUQGJG-UHFFFAOYSA-N 0 1 238.400 3.328 20 0 BGADMN CCC1CCC(N(C)Cc2nocc2C)CC1 ZINC000878164457 590511733 /nfs/dbraw/zinc/51/17/33/590511733.db2.gz IDQPEULFVFJVBN-UHFFFAOYSA-N 0 1 236.359 3.384 20 0 BGADMN C[C@@H]1CCN(Cc2scnc2Cl)[C@@H]1C ZINC000878165098 590500583 /nfs/dbraw/zinc/50/05/83/590500583.db2.gz RAQGLPADRZRNSU-HTQZYQBOSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@@H]1[C@@H](C)CCN1Cc1scnc1Cl ZINC000878165099 590500276 /nfs/dbraw/zinc/50/02/76/590500276.db2.gz RAQGLPADRZRNSU-JGVFFNPUSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@@H]1CCN(Cc2scnc2Cl)[C@H]1C ZINC000878165100 590500337 /nfs/dbraw/zinc/50/03/37/590500337.db2.gz RAQGLPADRZRNSU-SFYZADRCSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@H]1CCN(Cc2scnc2Cl)[C@H]1C ZINC000878165101 590500169 /nfs/dbraw/zinc/50/01/69/590500169.db2.gz RAQGLPADRZRNSU-YUMQZZPRSA-N 0 1 230.764 3.027 20 0 BGADMN C[C@@H](N(C)Cc1nc2c(o1)CCCC2)C1(C)CC1 ZINC000878179342 590517539 /nfs/dbraw/zinc/51/75/39/590517539.db2.gz LMRJIWXNJYXWRJ-LLVKDONJSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@H](N(C)Cc1nc2c(o1)CCCC2)C1(C)CC1 ZINC000878179344 590517229 /nfs/dbraw/zinc/51/72/29/590517229.db2.gz LMRJIWXNJYXWRJ-NSHDSACASA-N 0 1 248.370 3.174 20 0 BGADMN CC(C)[C@@H]1CCN(Cc2scnc2Cl)C1 ZINC000878182661 590518289 /nfs/dbraw/zinc/51/82/89/590518289.db2.gz PLWKLGAIBSWTNR-SECBINFHSA-N 0 1 244.791 3.274 20 0 BGADMN CC(C)[C@H]1CCN(Cc2scnc2Cl)C1 ZINC000878182662 590518049 /nfs/dbraw/zinc/51/80/49/590518049.db2.gz PLWKLGAIBSWTNR-VIFPVBQESA-N 0 1 244.791 3.274 20 0 BGADMN CC[C@@H]1CCN(Cc2ccc(C)c(Cl)n2)C1 ZINC000878182754 590518285 /nfs/dbraw/zinc/51/82/85/590518285.db2.gz SYAHNRRQPMHTRF-LLVKDONJSA-N 0 1 238.762 3.275 20 0 BGADMN CC[C@H]1CCN(Cc2ccc(C)c(Cl)n2)C1 ZINC000878182755 590516583 /nfs/dbraw/zinc/51/65/83/590516583.db2.gz SYAHNRRQPMHTRF-NSHDSACASA-N 0 1 238.762 3.275 20 0 BGADMN CC(C)[C@@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878183108 590518282 /nfs/dbraw/zinc/51/82/82/590518282.db2.gz XERIOIJKWQVVBY-GFCCVEGCSA-N 0 1 248.370 3.031 20 0 BGADMN CC(C)[C@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878183109 590518241 /nfs/dbraw/zinc/51/82/41/590518241.db2.gz XERIOIJKWQVVBY-LBPRGKRZSA-N 0 1 248.370 3.031 20 0 BGADMN Cc1conc1CN(C)C1CCC(C)(C)CC1 ZINC000878183232 590518894 /nfs/dbraw/zinc/51/88/94/590518894.db2.gz DHXHYQANDJYKHY-UHFFFAOYSA-N 0 1 236.359 3.384 20 0 BGADMN CC[C@@H]1CCN(Cc2scnc2Cl)C1 ZINC000878184170 590518530 /nfs/dbraw/zinc/51/85/30/590518530.db2.gz QADUMOWCWNKNQB-MRVPVSSYSA-N 0 1 230.764 3.028 20 0 BGADMN CC[C@H]1CCN(Cc2scnc2Cl)C1 ZINC000878184172 590518831 /nfs/dbraw/zinc/51/88/31/590518831.db2.gz QADUMOWCWNKNQB-QMMMGPOBSA-N 0 1 230.764 3.028 20 0 BGADMN CC[C@@]1(C)CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878187983 590519966 /nfs/dbraw/zinc/51/99/66/590519966.db2.gz KFVRJMPCGUALOA-HNNXBMFYSA-N 0 1 248.370 3.175 20 0 BGADMN CC[C@]1(C)CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878187985 590519925 /nfs/dbraw/zinc/51/99/25/590519925.db2.gz KFVRJMPCGUALOA-OAHLLOKOSA-N 0 1 248.370 3.175 20 0 BGADMN Cc1ccc(CN2[C@H](C)CC[C@H]2C)nc1Cl ZINC000878188154 590519519 /nfs/dbraw/zinc/51/95/19/590519519.db2.gz LNMXZAXYDXIYPZ-GHMZBOCLSA-N 0 1 238.762 3.416 20 0 BGADMN Cc1ccc(CN2[C@H](C)CC[C@@H]2C)nc1Cl ZINC000878188156 590520096 /nfs/dbraw/zinc/52/00/96/590520096.db2.gz LNMXZAXYDXIYPZ-PHIMTYICSA-N 0 1 238.762 3.416 20 0 BGADMN Cc1ccc(CN2[C@@H](C)CC[C@@H]2C)nc1Cl ZINC000878188157 590519997 /nfs/dbraw/zinc/51/99/97/590519997.db2.gz LNMXZAXYDXIYPZ-QWRGUYRKSA-N 0 1 238.762 3.416 20 0 BGADMN CC[C@]1(C)CCN(Cc2scnc2Cl)C1 ZINC000878188240 590519637 /nfs/dbraw/zinc/51/96/37/590519637.db2.gz MQDDCZBQYJXDJM-LLVKDONJSA-N 0 1 244.791 3.419 20 0 BGADMN CC[C@@]1(C)CCN(Cc2scnc2Cl)C1 ZINC000878188241 590519901 /nfs/dbraw/zinc/51/99/01/590519901.db2.gz MQDDCZBQYJXDJM-NSHDSACASA-N 0 1 244.791 3.419 20 0 BGADMN C[C@@H]1CC[C@@H](C)N1Cc1scnc1Cl ZINC000878188289 590519922 /nfs/dbraw/zinc/51/99/22/590519922.db2.gz MSRBZIDEMZPFGK-HTQZYQBOSA-N 0 1 230.764 3.169 20 0 BGADMN C[C@@H]1CC[C@H](C)N1Cc1scnc1Cl ZINC000878188290 590519980 /nfs/dbraw/zinc/51/99/80/590519980.db2.gz MSRBZIDEMZPFGK-OCAPTIKFSA-N 0 1 230.764 3.169 20 0 BGADMN C[C@H]1CC[C@H](C)N1Cc1scnc1Cl ZINC000878188291 590519927 /nfs/dbraw/zinc/51/99/27/590519927.db2.gz MSRBZIDEMZPFGK-YUMQZZPRSA-N 0 1 230.764 3.169 20 0 BGADMN Cc1conc1CN1CCC[C@H](CC(C)C)C1 ZINC000878190327 590520965 /nfs/dbraw/zinc/52/09/65/590520965.db2.gz GUEOILKXSMJMQL-CYBMUJFWSA-N 0 1 236.359 3.241 20 0 BGADMN Cc1conc1CN1CCC[C@@H](CC(C)C)C1 ZINC000878190328 590520613 /nfs/dbraw/zinc/52/06/13/590520613.db2.gz GUEOILKXSMJMQL-ZDUSSCGKSA-N 0 1 236.359 3.241 20 0 BGADMN C[C@@H]1[C@H](C)OCCN1CCCSC(C)(C)C ZINC000878196429 590521251 /nfs/dbraw/zinc/52/12/51/590521251.db2.gz AQMIODWVDOAECB-NEPJUHHUSA-N 0 1 245.432 3.017 20 0 BGADMN C[C@H]1OCCN(CCCSC(C)(C)C)[C@H]1C ZINC000878196430 590522323 /nfs/dbraw/zinc/52/23/23/590522323.db2.gz AQMIODWVDOAECB-NWDGAFQWSA-N 0 1 245.432 3.017 20 0 BGADMN C[C@@H]1OCCN(CCCSC(C)(C)C)[C@H]1C ZINC000878196431 590521804 /nfs/dbraw/zinc/52/18/04/590521804.db2.gz AQMIODWVDOAECB-RYUDHWBXSA-N 0 1 245.432 3.017 20 0 BGADMN C[C@H]1OCCN(CCCSC(C)(C)C)[C@@H]1C ZINC000878196432 590521742 /nfs/dbraw/zinc/52/17/42/590521742.db2.gz AQMIODWVDOAECB-VXGBXAGGSA-N 0 1 245.432 3.017 20 0 BGADMN CC(C)N(Cc1scnc1Cl)CC1CC1 ZINC000878210397 590525065 /nfs/dbraw/zinc/52/50/65/590525065.db2.gz PZZQEBGTSZWAAQ-UHFFFAOYSA-N 0 1 244.791 3.417 20 0 BGADMN CC(C)N(Cc1nc2c(o1)CCCC2)CC1CC1 ZINC000878210433 590524787 /nfs/dbraw/zinc/52/47/87/590524787.db2.gz RAGHPXLCSJJUMI-UHFFFAOYSA-N 0 1 248.370 3.174 20 0 BGADMN CCC(C)(C)N(C)Cc1nc2c(o1)CCCC2 ZINC000878246202 590528756 /nfs/dbraw/zinc/52/87/56/590528756.db2.gz KZDYJFXYWOIRTI-UHFFFAOYSA-N 0 1 236.359 3.174 20 0 BGADMN CCC(C)(C)N(C)Cc1scnc1Cl ZINC000878246805 590528635 /nfs/dbraw/zinc/52/86/35/590528635.db2.gz UWUYMBMKYONCIH-UHFFFAOYSA-N 0 1 232.780 3.417 20 0 BGADMN CC(C)N(Cc1nc2c(o1)CCCC2)C1CCC1 ZINC000878255568 590529956 /nfs/dbraw/zinc/52/99/56/590529956.db2.gz SBHBPPZDIVBSQG-UHFFFAOYSA-N 0 1 248.370 3.316 20 0 BGADMN C=C/C=C\CCN(C)Cc1nc2ccccc2o1 ZINC000878270127 590532611 /nfs/dbraw/zinc/53/26/11/590532611.db2.gz OYOYLUUDBQQDKU-PLNGDYQASA-N 0 1 242.322 3.392 20 0 BGADMN C=C/C=C/CCN(C)Cc1nc2ccccc2o1 ZINC000878270129 590532423 /nfs/dbraw/zinc/53/24/23/590532423.db2.gz OYOYLUUDBQQDKU-SNAWJCMRSA-N 0 1 242.322 3.392 20 0 BGADMN Cc1ccc(C[N@@H+](C)CCC2CC2)nc1Cl ZINC000878287981 590534180 /nfs/dbraw/zinc/53/41/80/590534180.db2.gz KUFSQGCUKCZEND-UHFFFAOYSA-N 0 1 238.762 3.275 20 0 BGADMN Clc1ncsc1CN1CC[C@@H](C2CC2)C1 ZINC000878323835 590546137 /nfs/dbraw/zinc/54/61/37/590546137.db2.gz DNHQNJLANABQGG-SECBINFHSA-N 0 1 242.775 3.028 20 0 BGADMN Clc1ncsc1CN1CC[C@H](C2CC2)C1 ZINC000878323836 590546553 /nfs/dbraw/zinc/54/65/53/590546553.db2.gz DNHQNJLANABQGG-VIFPVBQESA-N 0 1 242.775 3.028 20 0 BGADMN C[C@@H]1CCN(Cc2nc3c(o2)CCCC3)C[C@@H]1C ZINC000878328637 590547038 /nfs/dbraw/zinc/54/70/38/590547038.db2.gz LBMLXKMKUMGOFD-NEPJUHHUSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@H]1CCN(Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC000878328638 590547599 /nfs/dbraw/zinc/54/75/99/590547599.db2.gz LBMLXKMKUMGOFD-NWDGAFQWSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@H]1CN(Cc2nc3c(o2)CCCC3)CC[C@@H]1C ZINC000878328639 590547585 /nfs/dbraw/zinc/54/75/85/590547585.db2.gz LBMLXKMKUMGOFD-RYUDHWBXSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@@H]1CCN(Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC000878328640 590547050 /nfs/dbraw/zinc/54/70/50/590547050.db2.gz LBMLXKMKUMGOFD-VXGBXAGGSA-N 0 1 248.370 3.031 20 0 BGADMN C[C@@H]1CCN(Cc2scnc2Cl)C[C@@H]1C ZINC000878329164 590547542 /nfs/dbraw/zinc/54/75/42/590547542.db2.gz VAPLKLPKARIJQK-BDAKNGLRSA-N 0 1 244.791 3.274 20 0 BGADMN C[C@H]1CCN(Cc2scnc2Cl)C[C@H]1C ZINC000878329165 590547749 /nfs/dbraw/zinc/54/77/49/590547749.db2.gz VAPLKLPKARIJQK-DTWKUNHWSA-N 0 1 244.791 3.274 20 0 BGADMN C[C@H]1CN(Cc2scnc2Cl)CC[C@@H]1C ZINC000878329166 590547044 /nfs/dbraw/zinc/54/70/44/590547044.db2.gz VAPLKLPKARIJQK-IUCAKERBSA-N 0 1 244.791 3.274 20 0 BGADMN C[C@@H]1CCN(Cc2scnc2Cl)C[C@H]1C ZINC000878329167 590547029 /nfs/dbraw/zinc/54/70/29/590547029.db2.gz VAPLKLPKARIJQK-RKDXNWHRSA-N 0 1 244.791 3.274 20 0 BGADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc2c(o1)CCCC2 ZINC000878339205 583371108 /nfs/dbraw/zinc/37/11/08/583371108.db2.gz AZSBXYNDQJVRSN-VXGBXAGGSA-N 0 1 248.370 3.316 20 0 BGADMN CC(C)N(Cc1coc(C2CC2)n1)C(C)C ZINC000878340927 590551640 /nfs/dbraw/zinc/55/16/40/590551640.db2.gz VJVWHJPVABJZFB-UHFFFAOYSA-N 0 1 222.332 3.171 20 0 BGADMN CC(C)N(Cc1nc2c(o1)CCCC2)C(C)C ZINC000878340965 590552143 /nfs/dbraw/zinc/55/21/43/590552143.db2.gz WEWHCUVDGDYRDV-UHFFFAOYSA-N 0 1 236.359 3.172 20 0 BGADMN CC[C@@H](C)[C@@H](C)NCc1nc2c(o1)CCCC2 ZINC000878366282 590554866 /nfs/dbraw/zinc/55/48/66/590554866.db2.gz KIXBUZNPQDWCML-GHMZBOCLSA-N 0 1 236.359 3.078 20 0 BGADMN CC[C@@H](C)[C@H](C)NCc1nc2c(o1)CCCC2 ZINC000878366284 590554999 /nfs/dbraw/zinc/55/49/99/590554999.db2.gz KIXBUZNPQDWCML-MNOVXSKESA-N 0 1 236.359 3.078 20 0 BGADMN CC[C@H](C)[C@H](C)NCc1nc2c(o1)CCCC2 ZINC000878366286 590554638 /nfs/dbraw/zinc/55/46/38/590554638.db2.gz KIXBUZNPQDWCML-QWRGUYRKSA-N 0 1 236.359 3.078 20 0 BGADMN CC[C@H](C)[C@@H](C)NCc1nc2c(o1)CCCC2 ZINC000878366287 590554382 /nfs/dbraw/zinc/55/43/82/590554382.db2.gz KIXBUZNPQDWCML-WDEREUQCSA-N 0 1 236.359 3.078 20 0 BGADMN C[C@@H]1CCN(C[C@@H]2CCCC(C)(C)O2)C[C@@H]1F ZINC000878383515 590557718 /nfs/dbraw/zinc/55/77/18/590557718.db2.gz RRCMJFQFFMMZMW-AGIUHOORSA-N 0 1 243.366 3.014 20 0 BGADMN C[C@@H]1CCN(C[C@@H]2CCCC(C)(C)O2)C[C@H]1F ZINC000878383516 583371749 /nfs/dbraw/zinc/37/17/49/583371749.db2.gz RRCMJFQFFMMZMW-FRRDWIJNSA-N 0 1 243.366 3.014 20 0 BGADMN C[C@@H]1CCN(C[C@H]2CCCC(C)(C)O2)C[C@H]1F ZINC000878383517 583371475 /nfs/dbraw/zinc/37/14/75/583371475.db2.gz RRCMJFQFFMMZMW-JHJVBQTASA-N 0 1 243.366 3.014 20 0 BGADMN C[C@@H]1CCN(C[C@H]2CCCC(C)(C)O2)C[C@@H]1F ZINC000878383518 583371447 /nfs/dbraw/zinc/37/14/47/583371447.db2.gz RRCMJFQFFMMZMW-UPJWGTAASA-N 0 1 243.366 3.014 20 0 BGADMN Cc1noc([C@@H](C)NC[C@H](C)CC(C)(C)C)n1 ZINC000878417309 590563616 /nfs/dbraw/zinc/56/36/16/590563616.db2.gz JFBCJHOINSRSJL-NXEZZACHSA-N 0 1 239.363 3.101 20 0 BGADMN Cc1noc([C@H](C)NC[C@@H](C)CC(C)(C)C)n1 ZINC000878417310 590563378 /nfs/dbraw/zinc/56/33/78/590563378.db2.gz JFBCJHOINSRSJL-UWVGGRQHSA-N 0 1 239.363 3.101 20 0 BGADMN Cc1noc([C@@H](C)NC[C@@H](C)CC(C)(C)C)n1 ZINC000878417311 590563622 /nfs/dbraw/zinc/56/36/22/590563622.db2.gz JFBCJHOINSRSJL-VHSXEESVSA-N 0 1 239.363 3.101 20 0 BGADMN Cc1noc([C@H](C)NC[C@H](C)CC(C)(C)C)n1 ZINC000878417312 590563352 /nfs/dbraw/zinc/56/33/52/590563352.db2.gz JFBCJHOINSRSJL-ZJUUUORDSA-N 0 1 239.363 3.101 20 0 BGADMN C[C@@H](NCc1nc2c(o1)CCCC2)C1CCCC1 ZINC000878418962 590563408 /nfs/dbraw/zinc/56/34/08/590563408.db2.gz TVOJYVASZKNACU-LLVKDONJSA-N 0 1 248.370 3.222 20 0 BGADMN C[C@H](NCc1nc2c(o1)CCCC2)C1CCCC1 ZINC000878418963 590563809 /nfs/dbraw/zinc/56/38/09/590563809.db2.gz TVOJYVASZKNACU-NSHDSACASA-N 0 1 248.370 3.222 20 0 BGADMN CC(=O)CN[C@@H](C)c1csc2ccccc21 ZINC000878420886 590564633 /nfs/dbraw/zinc/56/46/33/590564633.db2.gz RDQOAUFXVYEVDP-JTQLQIEISA-N 0 1 233.336 3.141 20 0 BGADMN CC(=O)CN[C@H](C)c1csc2ccccc21 ZINC000878420887 590564626 /nfs/dbraw/zinc/56/46/26/590564626.db2.gz RDQOAUFXVYEVDP-SNVBAGLBSA-N 0 1 233.336 3.141 20 0 BGADMN Cc1nnc([C@@H](C)NC[C@H](C)CC(C)(C)C)o1 ZINC000878426960 590565236 /nfs/dbraw/zinc/56/52/36/590565236.db2.gz RIAXYIYTYUVKEX-NXEZZACHSA-N 0 1 239.363 3.101 20 0 BGADMN Cc1nnc([C@H](C)NC[C@@H](C)CC(C)(C)C)o1 ZINC000878426961 590565114 /nfs/dbraw/zinc/56/51/14/590565114.db2.gz RIAXYIYTYUVKEX-UWVGGRQHSA-N 0 1 239.363 3.101 20 0 BGADMN Cc1nnc([C@@H](C)NC[C@@H](C)CC(C)(C)C)o1 ZINC000878426962 590564944 /nfs/dbraw/zinc/56/49/44/590564944.db2.gz RIAXYIYTYUVKEX-VHSXEESVSA-N 0 1 239.363 3.101 20 0 BGADMN Cc1nnc([C@H](C)NC[C@H](C)CC(C)(C)C)o1 ZINC000878426963 590565213 /nfs/dbraw/zinc/56/52/13/590565213.db2.gz RIAXYIYTYUVKEX-ZJUUUORDSA-N 0 1 239.363 3.101 20 0 BGADMN CCN(CCC1CC1)Cc1nc2c(o1)CCCC2 ZINC000878432726 590566200 /nfs/dbraw/zinc/56/62/00/590566200.db2.gz HSNJTBHLSCOUGH-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN CCN(CCC1CC1)Cc1scnc1Cl ZINC000878432814 590565790 /nfs/dbraw/zinc/56/57/90/590565790.db2.gz JXKZDLIKKRJACZ-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN Cc1conc1CN1CC(C)(C)CC(C)(C)C1 ZINC000878438857 590567607 /nfs/dbraw/zinc/56/76/07/590567607.db2.gz HORKZIVVPIYHBW-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN C[C@@H]1CCCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878450772 590569439 /nfs/dbraw/zinc/56/94/39/590569439.db2.gz CAPSLMDZAYAZRA-GFCCVEGCSA-N 0 1 248.370 3.175 20 0 BGADMN C[C@H]1CCCCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878450773 590569606 /nfs/dbraw/zinc/56/96/06/590569606.db2.gz CAPSLMDZAYAZRA-LBPRGKRZSA-N 0 1 248.370 3.175 20 0 BGADMN C[C@@H]1CCCCN(Cc2scnc2Cl)C1 ZINC000878451436 590569634 /nfs/dbraw/zinc/56/96/34/590569634.db2.gz KGAIKZMGDUMNQW-SECBINFHSA-N 0 1 244.791 3.419 20 0 BGADMN C[C@H]1CCCCN(Cc2scnc2Cl)C1 ZINC000878451437 590569654 /nfs/dbraw/zinc/56/96/54/590569654.db2.gz KGAIKZMGDUMNQW-VIFPVBQESA-N 0 1 244.791 3.419 20 0 BGADMN CC[C@H]1[C@H](C)CCN1Cc1scnc1Cl ZINC000878453814 590569258 /nfs/dbraw/zinc/56/92/58/590569258.db2.gz ZFNCJNAUVRCENE-BDAKNGLRSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H]1[C@@H](C)CCN1Cc1scnc1Cl ZINC000878453815 590569505 /nfs/dbraw/zinc/56/95/05/590569505.db2.gz ZFNCJNAUVRCENE-DTWKUNHWSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@H]1[C@@H](C)CCN1Cc1scnc1Cl ZINC000878453816 590569779 /nfs/dbraw/zinc/56/97/79/590569779.db2.gz ZFNCJNAUVRCENE-IUCAKERBSA-N 0 1 244.791 3.417 20 0 BGADMN CC[C@@H]1[C@H](C)CCN1Cc1scnc1Cl ZINC000878453817 590569691 /nfs/dbraw/zinc/56/96/91/590569691.db2.gz ZFNCJNAUVRCENE-RKDXNWHRSA-N 0 1 244.791 3.417 20 0 BGADMN CCC1(CC)CCN(Cc2nocc2C)CC1 ZINC000878458149 590570268 /nfs/dbraw/zinc/57/02/68/590570268.db2.gz MZUYQYXREKTOJP-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN Cc1conc1CN1CCC(C)(C(C)C)CC1 ZINC000878461557 590571928 /nfs/dbraw/zinc/57/19/28/590571928.db2.gz CRTSWPWLVJDAPU-UHFFFAOYSA-N 0 1 236.359 3.241 20 0 BGADMN CC1(C)CCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878475894 590574120 /nfs/dbraw/zinc/57/41/20/590574120.db2.gz UOFYAOPTILJUQV-CYBMUJFWSA-N 0 1 248.370 3.222 20 0 BGADMN CC1(C)CCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878475895 590573846 /nfs/dbraw/zinc/57/38/46/590573846.db2.gz UOFYAOPTILJUQV-ZDUSSCGKSA-N 0 1 248.370 3.222 20 0 BGADMN Cc1conc1CN1CCCC2(CCCC2)C1 ZINC000878482007 590576228 /nfs/dbraw/zinc/57/62/28/590576228.db2.gz YXCIGTMQBRYBAK-UHFFFAOYSA-N 0 1 234.343 3.139 20 0 BGADMN C(c1nc2c(o1)CCCC2)N1CCCC12CCC2 ZINC000878518527 590585373 /nfs/dbraw/zinc/58/53/73/590585373.db2.gz MRNHFPJWMDJKRU-UHFFFAOYSA-N 0 1 246.354 3.072 20 0 BGADMN C(c1nc2c(o1)CCCC2)[N@H+]1CCCC12CCC2 ZINC000878518527 590585372 /nfs/dbraw/zinc/58/53/72/590585372.db2.gz MRNHFPJWMDJKRU-UHFFFAOYSA-N 0 1 246.354 3.072 20 0 BGADMN CCC(F)(F)CN1CCCC12CCC2 ZINC000878518967 590585141 /nfs/dbraw/zinc/58/51/41/590585141.db2.gz XPMMBAAGOXBTCD-UHFFFAOYSA-N 0 1 203.276 3.050 20 0 BGADMN CCC(F)(F)C[N@H+]1CCCC12CCC2 ZINC000878518967 590585139 /nfs/dbraw/zinc/58/51/39/590585139.db2.gz XPMMBAAGOXBTCD-UHFFFAOYSA-N 0 1 203.276 3.050 20 0 BGADMN Clc1ncsc1CN1CCCC12CCC2 ZINC000878519045 590585117 /nfs/dbraw/zinc/58/51/17/590585117.db2.gz ZCJVCJRITJNRME-UHFFFAOYSA-N 0 1 242.775 3.315 20 0 BGADMN Clc1ncsc1C[N@H+]1CCCC12CCC2 ZINC000878519045 590585115 /nfs/dbraw/zinc/58/51/15/590585115.db2.gz ZCJVCJRITJNRME-UHFFFAOYSA-N 0 1 242.775 3.315 20 0 BGADMN Cc1conc1CN(C)[C@@H](C)C1CCCCC1 ZINC000878521451 583380146 /nfs/dbraw/zinc/38/01/46/583380146.db2.gz ADNBSJONATWNJG-LBPRGKRZSA-N 0 1 236.359 3.384 20 0 BGADMN CN(Cc1nc2c(o1)CCCC2)C1(C)CCCC1 ZINC000878527209 590586755 /nfs/dbraw/zinc/58/67/55/590586755.db2.gz ZLOHATXGKTZYKU-UHFFFAOYSA-N 0 1 248.370 3.318 20 0 BGADMN CCN(Cc1nc2c(o1)CCCC2)CC1CCC1 ZINC000878541583 590589061 /nfs/dbraw/zinc/58/90/61/590589061.db2.gz DXRZAWQWPUDDJX-UHFFFAOYSA-N 0 1 248.370 3.175 20 0 BGADMN CCN(Cc1scnc1Cl)CC1CCC1 ZINC000878541584 590589105 /nfs/dbraw/zinc/58/91/05/590589105.db2.gz FAWRQDSFWCHBRP-UHFFFAOYSA-N 0 1 244.791 3.419 20 0 BGADMN C[C@@H](CN1Cc2cccnc2C1)CC(C)(C)C ZINC000878548965 590590953 /nfs/dbraw/zinc/59/09/53/590590953.db2.gz ZVIJOAIGZTXKDX-GFCCVEGCSA-N 0 1 232.371 3.470 20 0 BGADMN C[C@H](CN1Cc2cccnc2C1)CC(C)(C)C ZINC000878548966 590590989 /nfs/dbraw/zinc/59/09/89/590590989.db2.gz ZVIJOAIGZTXKDX-LBPRGKRZSA-N 0 1 232.371 3.470 20 0 BGADMN Cc1conc1CN(C)[C@H](C)C1CCCCC1 ZINC000878564651 590592624 /nfs/dbraw/zinc/59/26/24/590592624.db2.gz ADNBSJONATWNJG-GFCCVEGCSA-N 0 1 236.359 3.384 20 0 BGADMN C[C@@H](CN1Cc2ccncc2C1)CC(C)(C)C ZINC000878608939 590595596 /nfs/dbraw/zinc/59/55/96/590595596.db2.gz IMTREKFMCWTLMX-GFCCVEGCSA-N 0 1 232.371 3.470 20 0 BGADMN C[C@H](CN1Cc2ccncc2C1)CC(C)(C)C ZINC000878608940 590595845 /nfs/dbraw/zinc/59/58/45/590595845.db2.gz IMTREKFMCWTLMX-LBPRGKRZSA-N 0 1 232.371 3.470 20 0 BGADMN Cc1noc([C@H]2CCCCN2CCCC2CC2)n1 ZINC000878613410 590596428 /nfs/dbraw/zinc/59/64/28/590596428.db2.gz NCNQEIJHSCUYLG-CYBMUJFWSA-N 0 1 249.358 3.095 20 0 BGADMN Cc1noc([C@@H]2CCCCN2CCCC2CC2)n1 ZINC000878613411 590596618 /nfs/dbraw/zinc/59/66/18/590596618.db2.gz NCNQEIJHSCUYLG-ZDUSSCGKSA-N 0 1 249.358 3.095 20 0 BGADMN C=C/C=C\CCN[C@@H](C)c1c(F)cncc1F ZINC000878613598 590596063 /nfs/dbraw/zinc/59/60/63/590596063.db2.gz SCQMMRITRWTURZ-LWTINBJPSA-N 0 1 238.281 3.143 20 0 BGADMN C=C/C=C/CCN[C@H](C)c1c(F)cncc1F ZINC000878613599 590596731 /nfs/dbraw/zinc/59/67/31/590596731.db2.gz SCQMMRITRWTURZ-ORAHPGNNSA-N 0 1 238.281 3.143 20 0 BGADMN C=C/C=C\CCN[C@H](C)c1c(F)cncc1F ZINC000878613600 590596538 /nfs/dbraw/zinc/59/65/38/590596538.db2.gz SCQMMRITRWTURZ-UMCURTJPSA-N 0 1 238.281 3.143 20 0 BGADMN C=C/C=C/CCN[C@@H](C)c1c(F)cncc1F ZINC000878613601 590596387 /nfs/dbraw/zinc/59/63/87/590596387.db2.gz SCQMMRITRWTURZ-YEZKRMTDSA-N 0 1 238.281 3.143 20 0 BGADMN C=C/C=C\CCN1CCCC[C@@H]1c1nc(C)no1 ZINC000878613687 590596547 /nfs/dbraw/zinc/59/65/47/590596547.db2.gz VGEHKSYHVBQMEO-DSYXLKISSA-N 0 1 247.342 3.037 20 0 BGADMN C=C/C=C/CCN1CCCC[C@H]1c1nc(C)no1 ZINC000878613688 590596396 /nfs/dbraw/zinc/59/63/96/590596396.db2.gz VGEHKSYHVBQMEO-IHVVCDCBSA-N 0 1 247.342 3.037 20 0 BGADMN C=C/C=C/CCN1CCCC[C@@H]1c1nc(C)no1 ZINC000878613689 590596407 /nfs/dbraw/zinc/59/64/07/590596407.db2.gz VGEHKSYHVBQMEO-MUBLQREKSA-N 0 1 247.342 3.037 20 0 BGADMN C=C/C=C\CCN1CCCC[C@H]1c1nc(C)no1 ZINC000878613690 590596511 /nfs/dbraw/zinc/59/65/11/590596511.db2.gz VGEHKSYHVBQMEO-ZFDPJTLLSA-N 0 1 247.342 3.037 20 0 BGADMN Cc1ccoc1CN(C)C[C@H]1CCC2(CCC2)O1 ZINC000878644339 590600619 /nfs/dbraw/zinc/60/06/19/590600619.db2.gz VURYAWQJKNVMJB-CYBMUJFWSA-N 0 1 249.354 3.122 20 0 BGADMN Cc1ccoc1CN(C)C[C@@H]1CCC2(CCC2)O1 ZINC000878644340 590600164 /nfs/dbraw/zinc/60/01/64/590600164.db2.gz VURYAWQJKNVMJB-ZDUSSCGKSA-N 0 1 249.354 3.122 20 0 BGADMN C[C@H]1CCC(C)(C)N1Cc1coc(C2CC2)n1 ZINC000878691023 590610576 /nfs/dbraw/zinc/61/05/76/590610576.db2.gz VDACPOHDXKLHPC-JTQLQIEISA-N 0 1 234.343 3.315 20 0 BGADMN C[C@@H]1CCC(C)(C)N1Cc1coc(C2CC2)n1 ZINC000878691024 590610416 /nfs/dbraw/zinc/61/04/16/590610416.db2.gz VDACPOHDXKLHPC-SNVBAGLBSA-N 0 1 234.343 3.315 20 0 BGADMN C[C@@H]1CCC(C)(C)N1Cc1nc2c(o1)CCCC2 ZINC000878691188 590610351 /nfs/dbraw/zinc/61/03/51/590610351.db2.gz XPHVKXFWVHGUMS-LLVKDONJSA-N 0 1 248.370 3.316 20 0 BGADMN C[C@H]1CCC(C)(C)N1Cc1nc2c(o1)CCCC2 ZINC000878691190 590610263 /nfs/dbraw/zinc/61/02/63/590610263.db2.gz XPHVKXFWVHGUMS-NSHDSACASA-N 0 1 248.370 3.316 20 0 BGADMN C[C@@H]1CC(C)(C)CN1Cc1scnc1Cl ZINC000878712689 590614387 /nfs/dbraw/zinc/61/43/87/590614387.db2.gz ZOFBGAXBIJEZAO-MRVPVSSYSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@H]1CC(C)(C)CN1Cc1scnc1Cl ZINC000878712690 590614551 /nfs/dbraw/zinc/61/45/51/590614551.db2.gz ZOFBGAXBIJEZAO-QMMMGPOBSA-N 0 1 244.791 3.417 20 0 BGADMN C[C@@H]1CC(C)(C)CN1Cc1nc2c(o1)CCCC2 ZINC000878712712 590614730 /nfs/dbraw/zinc/61/47/30/590614730.db2.gz ZXSKUMQYCAGMFR-LLVKDONJSA-N 0 1 248.370 3.174 20 0 BGADMN C[C@H]1CC(C)(C)CN1Cc1nc2c(o1)CCCC2 ZINC000878712713 590614174 /nfs/dbraw/zinc/61/41/74/590614174.db2.gz ZXSKUMQYCAGMFR-NSHDSACASA-N 0 1 248.370 3.174 20 0 BGADMN C[C@@H]1[C@H](C)CN(Cc2scnc2Cl)[C@H]1C ZINC000878717907 590615081 /nfs/dbraw/zinc/61/50/81/590615081.db2.gz KSNHGESCSRBLEI-HLTSFMKQSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1scnc1Cl ZINC000878717908 590614925 /nfs/dbraw/zinc/61/49/25/590614925.db2.gz KSNHGESCSRBLEI-HRDYMLBCSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@H]1[C@@H](C)N(Cc2scnc2Cl)C[C@H]1C ZINC000878717909 590615401 /nfs/dbraw/zinc/61/54/01/590615401.db2.gz KSNHGESCSRBLEI-IWSPIJDZSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@@H]1CN(Cc2scnc2Cl)[C@@H](C)[C@H]1C ZINC000878717910 590615436 /nfs/dbraw/zinc/61/54/36/590615436.db2.gz KSNHGESCSRBLEI-VGMNWLOBSA-N 0 1 244.791 3.273 20 0 BGADMN C[C@@H]1CCN(Cc2nc3c(o2)CCCC3)[C@H](C)C1 ZINC000878729227 590617708 /nfs/dbraw/zinc/61/77/08/590617708.db2.gz ZWQZVSDYKASJNY-VXGBXAGGSA-N 0 1 248.370 3.174 20 0 BGADMN Cl/C=C\CN1CCC[C@@H](c2cccnc2)C1 ZINC000878756907 590618856 /nfs/dbraw/zinc/61/88/56/590618856.db2.gz WMKBVOZVKKKNNS-ACVFHECNSA-N 0 1 236.746 3.014 20 0 BGADMN Cl/C=C\CN1CCC[C@H](c2cccnc2)C1 ZINC000878756908 590618759 /nfs/dbraw/zinc/61/87/59/590618759.db2.gz WMKBVOZVKKKNNS-RJNRQISESA-N 0 1 236.746 3.014 20 0 BGADMN Cl/C=C/CN1CCC[C@@H](c2cccnc2)C1 ZINC000878756909 590618887 /nfs/dbraw/zinc/61/88/87/590618887.db2.gz WMKBVOZVKKKNNS-VUUYWXRKSA-N 0 1 236.746 3.014 20 0 BGADMN Cl/C=C/CN1CCC[C@H](c2cccnc2)C1 ZINC000878756910 590618670 /nfs/dbraw/zinc/61/86/70/590618670.db2.gz WMKBVOZVKKKNNS-YIALFULDSA-N 0 1 236.746 3.014 20 0 BGADMN FC1(F)CC[C@@H](CN2CCC=C(Cl)C2)C1 ZINC000878789828 590621517 /nfs/dbraw/zinc/62/15/17/590621517.db2.gz FXKYUDFKOCTXSA-SECBINFHSA-N 0 1 235.705 3.250 20 0 BGADMN FC1(F)CC[C@H](CN2CCC=C(Cl)C2)C1 ZINC000878789829 590622519 /nfs/dbraw/zinc/62/25/19/590622519.db2.gz FXKYUDFKOCTXSA-VIFPVBQESA-N 0 1 235.705 3.250 20 0 BGADMN CC[C@H](CC(F)F)CN1CCC=C(Cl)C1 ZINC000878790722 590622753 /nfs/dbraw/zinc/62/27/53/590622753.db2.gz TYSSKFVDJXKDTM-SECBINFHSA-N 0 1 237.721 3.496 20 0 BGADMN CC[C@@H](CC(F)F)CN1CCC=C(Cl)C1 ZINC000878790727 590622142 /nfs/dbraw/zinc/62/21/42/590622142.db2.gz TYSSKFVDJXKDTM-VIFPVBQESA-N 0 1 237.721 3.496 20 0 BGADMN CC(C)(C)OCCCCN1CCC=C(Cl)C1 ZINC000878791359 590620931 /nfs/dbraw/zinc/62/09/31/590620931.db2.gz MMJOIOULGNWVOH-UHFFFAOYSA-N 0 1 245.794 3.410 20 0 BGADMN ClC1=CCCN(CCCC2CCOCC2)C1 ZINC000878791860 590623882 /nfs/dbraw/zinc/62/38/82/590623882.db2.gz SYHHXPDKNZNDJB-UHFFFAOYSA-N 0 1 243.778 3.022 20 0 BGADMN CC(C)(C)OCCCN1CCC=C(Cl)C1 ZINC000878792849 590623852 /nfs/dbraw/zinc/62/38/52/590623852.db2.gz SJENTLVUSKOQJG-UHFFFAOYSA-N 0 1 231.767 3.020 20 0 BGADMN ClC1=CCCN(CCc2cccs2)C1 ZINC000878793723 590624212 /nfs/dbraw/zinc/62/42/12/590624212.db2.gz JJEOUEIRILCBCW-UHFFFAOYSA-N 0 1 227.760 3.119 20 0 BGADMN CC1=Nc2ccccc2C12CCN(CCF)CC2 ZINC000878795229 590624287 /nfs/dbraw/zinc/62/42/87/590624287.db2.gz HNWVYRWVHORBBM-UHFFFAOYSA-N 0 1 246.329 3.096 20 0 BGADMN C[C@@H](NCc1nc2c(o1)CCCC2)C(C)(C)C ZINC000878810562 590626002 /nfs/dbraw/zinc/62/60/02/590626002.db2.gz BCAUFZODUTZCGR-SNVBAGLBSA-N 0 1 236.359 3.078 20 0 BGADMN CCC(F)(F)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000878813346 590626905 /nfs/dbraw/zinc/62/69/05/590626905.db2.gz ZIPIKKBAMHEWDQ-SECBINFHSA-N 0 1 239.256 3.153 20 0 BGADMN CCC(F)(F)CN1CCC[C@]2(CC2(F)F)C1 ZINC000878813347 590627203 /nfs/dbraw/zinc/62/72/03/590627203.db2.gz ZIPIKKBAMHEWDQ-VIFPVBQESA-N 0 1 239.256 3.153 20 0 BGADMN CCCN(Cc1nc2c(o1)CCCC2)C(C)C ZINC000878843987 590632102 /nfs/dbraw/zinc/63/21/02/590632102.db2.gz OIAKAPGGOGGGHB-UHFFFAOYSA-N 0 1 236.359 3.174 20 0 BGADMN CCCN(Cc1scnc1Cl)C(C)C ZINC000878844232 590631105 /nfs/dbraw/zinc/63/11/05/590631105.db2.gz UISDEEIQRAQUNN-UHFFFAOYSA-N 0 1 232.780 3.417 20 0 BGADMN CC[C@H](C)N(CC)Cc1coc(C2CC2)n1 ZINC000878884677 590639844 /nfs/dbraw/zinc/63/98/44/590639844.db2.gz IVBOCEAHWQNRSR-JTQLQIEISA-N 0 1 222.332 3.172 20 0 BGADMN CC[C@@H](C)N(CC)Cc1coc(C2CC2)n1 ZINC000878884678 590639739 /nfs/dbraw/zinc/63/97/39/590639739.db2.gz IVBOCEAHWQNRSR-SNVBAGLBSA-N 0 1 222.332 3.172 20 0 BGADMN CC[C@@H](C)N(CC)Cc1scnc1Cl ZINC000878884856 590640454 /nfs/dbraw/zinc/64/04/54/590640454.db2.gz NOQRGEMOXGXJQA-MRVPVSSYSA-N 0 1 232.780 3.417 20 0 BGADMN CC[C@H](C)N(CC)Cc1scnc1Cl ZINC000878884857 590639018 /nfs/dbraw/zinc/63/90/18/590639018.db2.gz NOQRGEMOXGXJQA-QMMMGPOBSA-N 0 1 232.780 3.417 20 0 BGADMN CC[C@@H](C)N(CC)Cc1nc2c(o1)CCCC2 ZINC000878884988 590640827 /nfs/dbraw/zinc/64/08/27/590640827.db2.gz RGUDQSMGNLLFCS-LLVKDONJSA-N 0 1 236.359 3.174 20 0 BGADMN CC[C@H](C)N(CC)Cc1nc2c(o1)CCCC2 ZINC000878884989 590639633 /nfs/dbraw/zinc/63/96/33/590639633.db2.gz RGUDQSMGNLLFCS-NSHDSACASA-N 0 1 236.359 3.174 20 0 BGADMN CCCCCCN(C)Cc1ccns1 ZINC000878900306 590643843 /nfs/dbraw/zinc/64/38/43/590643843.db2.gz BDDYPCMEDSWSHW-UHFFFAOYSA-N 0 1 212.362 3.155 20 0 BGADMN CCC1(CC)CCCN(Cc2nocc2C)C1 ZINC000878949414 590658551 /nfs/dbraw/zinc/65/85/51/590658551.db2.gz MEGHQRJRIGKATQ-UHFFFAOYSA-N 0 1 236.359 3.385 20 0 BGADMN CCCCCCN1CCC[C@@H]1c1ncccn1 ZINC000878975582 590667108 /nfs/dbraw/zinc/66/71/08/590667108.db2.gz FJNXIIYPADBREE-CYBMUJFWSA-N 0 1 233.359 3.194 20 0 BGADMN CCCCCCN1CCC[C@H]1c1ncccn1 ZINC000878975583 590664702 /nfs/dbraw/zinc/66/47/02/590664702.db2.gz FJNXIIYPADBREE-ZDUSSCGKSA-N 0 1 233.359 3.194 20 0 BGADMN CC(C)CC1(NCc2nc3c(o2)CCCC3)CC1 ZINC000878991535 590671396 /nfs/dbraw/zinc/67/13/96/590671396.db2.gz KPFOZPUETZCNOI-UHFFFAOYSA-N 0 1 248.370 3.222 20 0 BGADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1coc(C2CC2)n1 ZINC000878992325 590671307 /nfs/dbraw/zinc/67/13/07/590671307.db2.gz MMKYHFUAJRTEOH-FTNCPSPGSA-N 0 1 246.354 3.315 20 0 BGADMN Cc1ccc(CN2CC3CC2(C)C3)nc1Cl ZINC000879008370 590676537 /nfs/dbraw/zinc/67/65/37/590676537.db2.gz FGBXCPUAUJBHQO-UHFFFAOYSA-N 0 1 236.746 3.028 20 0 BGADMN CN(Cc1nc2c(o1)CCCC2)C[C@H]1CC1(C)C ZINC000879008434 590677030 /nfs/dbraw/zinc/67/70/30/590677030.db2.gz SONJYHPXMDCSFM-LLVKDONJSA-N 0 1 248.370 3.031 20 0 BGADMN CN(Cc1nc2c(o1)CCCC2)C[C@@H]1CC1(C)C ZINC000879008435 590676919 /nfs/dbraw/zinc/67/69/19/590676919.db2.gz SONJYHPXMDCSFM-NSHDSACASA-N 0 1 248.370 3.031 20 0 BGADMN Oc1ccc2c(c1)CN(CC1CC3(CCC3)C1)C2 ZINC000879033474 590682985 /nfs/dbraw/zinc/68/29/85/590682985.db2.gz MZEMKSBMWOHHKR-UHFFFAOYSA-N 0 1 243.350 3.288 20 0 BGADMN Cc1ccc(CN(C2CC2)C2CC2)nc1Cl ZINC000879036802 590682735 /nfs/dbraw/zinc/68/27/35/590682735.db2.gz AJSPSZHLZMWMJO-UHFFFAOYSA-N 0 1 236.746 3.170 20 0 BGADMN FC(F)(F)c1coc(CN(C2CC2)C2CC2)c1 ZINC000879038718 590683849 /nfs/dbraw/zinc/68/38/49/590683849.db2.gz XGPQWPAIKLSRCB-UHFFFAOYSA-N 0 1 245.244 3.425 20 0 BGADMN COc1cccc2c1CN(CCCC1CC1)C2 ZINC000879054926 590689006 /nfs/dbraw/zinc/68/90/06/590689006.db2.gz WLUZSQXTEUPXBT-UHFFFAOYSA-N 0 1 231.339 3.201 20 0 BGADMN C=C/C=C\CCN1Cc2cccc(OC)c2C1 ZINC000879056810 590689584 /nfs/dbraw/zinc/68/95/84/590689584.db2.gz YRJZFLRGMADDDB-PLNGDYQASA-N 0 1 229.323 3.143 20 0 BGADMN C=C/C=C/CCN1Cc2cccc(OC)c2C1 ZINC000879056812 590688327 /nfs/dbraw/zinc/68/83/27/590688327.db2.gz YRJZFLRGMADDDB-SNAWJCMRSA-N 0 1 229.323 3.143 20 0 BGADMN C/C=C\C[C@@H]1CCCN(Cc2nocc2C)C1 ZINC000879066548 590690827 /nfs/dbraw/zinc/69/08/27/590690827.db2.gz PLVIOFNWWIAQAJ-DHCBQETCSA-N 0 1 234.343 3.161 20 0 BGADMN C/C=C/C[C@@H]1CCCN(Cc2nocc2C)C1 ZINC000879066549 590690597 /nfs/dbraw/zinc/69/05/97/590690597.db2.gz PLVIOFNWWIAQAJ-ITDFMYJTSA-N 0 1 234.343 3.161 20 0 BGADMN C/C=C/C[C@H]1CCCN(Cc2nocc2C)C1 ZINC000879066550 590690850 /nfs/dbraw/zinc/69/08/50/590690850.db2.gz PLVIOFNWWIAQAJ-OOPCZODUSA-N 0 1 234.343 3.161 20 0 BGADMN C/C=C\C[C@H]1CCCN(Cc2nocc2C)C1 ZINC000879066552 590690429 /nfs/dbraw/zinc/69/04/29/590690429.db2.gz PLVIOFNWWIAQAJ-SCOBNMCVSA-N 0 1 234.343 3.161 20 0 BGADMN Cc1conc1CN1CCC[C@H](C2CCC2)CC1 ZINC000879427043 590766767 /nfs/dbraw/zinc/76/67/67/590766767.db2.gz XPBFGHMTCYUUDK-AWEZNQCLSA-N 0 1 248.370 3.385 20 0 BGADMN Cc1conc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000879427044 590766224 /nfs/dbraw/zinc/76/62/24/590766224.db2.gz XPBFGHMTCYUUDK-CQSZACIVSA-N 0 1 248.370 3.385 20 0 BGADMN Cl/C=C(\Cl)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530052 590792004 /nfs/dbraw/zinc/79/20/04/590792004.db2.gz KOXVKGRWVBRJKX-HEMNTIQHSA-N 0 1 232.154 3.203 20 0 BGADMN Cl/C=C(/Cl)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530053 590791030 /nfs/dbraw/zinc/79/10/30/590791030.db2.gz KOXVKGRWVBRJKX-SZDKFMAVSA-N 0 1 232.154 3.203 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1cc2cnccc2o1 ZINC000879712219 590853777 /nfs/dbraw/zinc/85/37/77/590853777.db2.gz OUCIGANHPVCTCR-FIFYQCSRSA-N 0 1 236.702 3.231 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1cc2cnccc2o1 ZINC000879712420 590853726 /nfs/dbraw/zinc/85/37/26/590853726.db2.gz OUCIGANHPVCTCR-HDMKULJXSA-N 0 1 236.702 3.231 20 0 BGADMN C[C@H](NC/C=C/Cl)c1cc2cnccc2o1 ZINC000879712421 590853691 /nfs/dbraw/zinc/85/36/91/590853691.db2.gz OUCIGANHPVCTCR-LXOKAJLYSA-N 0 1 236.702 3.231 20 0 BGADMN C[C@H](NC/C=C\Cl)c1cc2cnccc2o1 ZINC000879712422 590853848 /nfs/dbraw/zinc/85/38/48/590853848.db2.gz OUCIGANHPVCTCR-MDHMXLOGSA-N 0 1 236.702 3.231 20 0 BGADMN Cc1cncc([C@@H]2CCCN2C/C=C\Cl)c1 ZINC000879748753 590861208 /nfs/dbraw/zinc/86/12/08/590861208.db2.gz OHMYNYIOHWYOGP-DXTPNHAXSA-N 0 1 236.746 3.279 20 0 BGADMN Cc1cncc([C@H]2CCCN2C/C=C\Cl)c1 ZINC000879748754 590860791 /nfs/dbraw/zinc/86/07/91/590860791.db2.gz OHMYNYIOHWYOGP-HSBHDXMMSA-N 0 1 236.746 3.279 20 0 BGADMN Cc1cncc([C@@H]2CCCN2C/C=C/Cl)c1 ZINC000879748755 590861224 /nfs/dbraw/zinc/86/12/24/590861224.db2.gz OHMYNYIOHWYOGP-LQPUYASZSA-N 0 1 236.746 3.279 20 0 BGADMN Cc1cncc([C@H]2CCCN2C/C=C/Cl)c1 ZINC000879748756 590861270 /nfs/dbraw/zinc/86/12/70/590861270.db2.gz OHMYNYIOHWYOGP-MASHWEEQSA-N 0 1 236.746 3.279 20 0 BGADMN C[C@@]1(C(F)(F)F)CCN(CCC(F)(F)F)C1 ZINC000880000467 590906387 /nfs/dbraw/zinc/90/63/87/590906387.db2.gz IGGLELZGBCCZGU-SSDOTTSWSA-N 0 1 249.198 3.213 20 0 BGADMN C[C@]1(C(F)(F)F)CCN(CCC(F)(F)F)C1 ZINC000880000471 590907498 /nfs/dbraw/zinc/90/74/98/590907498.db2.gz IGGLELZGBCCZGU-ZETCQYMHSA-N 0 1 249.198 3.213 20 0 BGADMN C[C@@]1(C(F)(F)F)CCN(C/C=C/Cl)C1 ZINC000880000573 590907397 /nfs/dbraw/zinc/90/73/97/590907397.db2.gz VVHNWZYPSYRRKV-BYDTYLDUSA-N 0 1 227.657 3.013 20 0 BGADMN C[C@@]1(C(F)(F)F)CCN(C/C=C\Cl)C1 ZINC000880000574 590907226 /nfs/dbraw/zinc/90/72/26/590907226.db2.gz VVHNWZYPSYRRKV-DLRBJTRDSA-N 0 1 227.657 3.013 20 0 BGADMN C[C@]1(C(F)(F)F)CCN(C/C=C/Cl)C1 ZINC000880000575 590906783 /nfs/dbraw/zinc/90/67/83/590906783.db2.gz VVHNWZYPSYRRKV-KHVHVRLGSA-N 0 1 227.657 3.013 20 0 BGADMN C[C@]1(C(F)(F)F)CCN(C/C=C\Cl)C1 ZINC000880000576 590907413 /nfs/dbraw/zinc/90/74/13/590907413.db2.gz VVHNWZYPSYRRKV-LTMVXPGCSA-N 0 1 227.657 3.013 20 0 BGADMN C[C@H](C[N@@H+](C)Cc1cccc(F)n1)C(C)(C)C ZINC000880075569 590918799 /nfs/dbraw/zinc/91/87/99/590918799.db2.gz DBOAEWGJYYOFAC-LLVKDONJSA-N 0 1 238.350 3.335 20 0 BGADMN C[C@@H](C[N@@H+](C)Cc1cccc(F)n1)C(C)(C)C ZINC000880075581 590918306 /nfs/dbraw/zinc/91/83/06/590918306.db2.gz DBOAEWGJYYOFAC-NSHDSACASA-N 0 1 238.350 3.335 20 0 BGADMN Cc1oncc1C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000880075784 590918345 /nfs/dbraw/zinc/91/83/45/590918345.db2.gz HEPMZJLVZHVPJH-JTQLQIEISA-N 0 1 224.348 3.097 20 0 BGADMN Cc1oncc1C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000880075786 590918638 /nfs/dbraw/zinc/91/86/38/590918638.db2.gz HEPMZJLVZHVPJH-SNVBAGLBSA-N 0 1 224.348 3.097 20 0 BGADMN Cc1conc1CN(C)C[C@@H](C)C(C)(C)C ZINC000880077138 583465669 /nfs/dbraw/zinc/46/56/69/583465669.db2.gz YLFHIWKZLJAXIT-LLVKDONJSA-N 0 1 224.348 3.097 20 0 BGADMN Cc1conc1CN(C)C[C@H](C)C(C)(C)C ZINC000880077139 583465244 /nfs/dbraw/zinc/46/52/44/583465244.db2.gz YLFHIWKZLJAXIT-NSHDSACASA-N 0 1 224.348 3.097 20 0 BGADMN CCC1(CC)CCCN1Cc1nnc(C)s1 ZINC000880093931 590923781 /nfs/dbraw/zinc/92/37/81/590923781.db2.gz PPAIHAMJSDCHLG-UHFFFAOYSA-N 0 1 239.388 3.001 20 0 BGADMN CCC1(CC)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000880094980 590924853 /nfs/dbraw/zinc/92/48/53/590924853.db2.gz UHRHJDDKIZTXJA-UHFFFAOYSA-N 0 1 236.334 3.375 20 0 BGADMN CCC1(CC)CCC[N@H+]1Cc1cncc(F)c1 ZINC000880095107 590924833 /nfs/dbraw/zinc/92/48/33/590924833.db2.gz VZPYJIMURMXUHJ-UHFFFAOYSA-N 0 1 236.334 3.375 20 0 BGADMN CCc1cnc(C[N@H+]2CCCC2(CC)CC)o1 ZINC000880095793 590924816 /nfs/dbraw/zinc/92/48/16/590924816.db2.gz PCPVALJEQYXVBP-UHFFFAOYSA-N 0 1 236.359 3.392 20 0 BGADMN CCC1(CC)CCCN1Cc1nnc(C2CC2)o1 ZINC000880096465 590925981 /nfs/dbraw/zinc/92/59/81/590925981.db2.gz MMZRVWKPEGFTEF-UHFFFAOYSA-N 0 1 249.358 3.102 20 0 BGADMN FC[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000880230049 590961729 /nfs/dbraw/zinc/96/17/29/590961729.db2.gz HJZNEPUNKUOYTM-GFCCVEGCSA-N 0 1 225.282 3.007 20 0 BGADMN FC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000880230050 590961804 /nfs/dbraw/zinc/96/18/04/590961804.db2.gz HJZNEPUNKUOYTM-LBPRGKRZSA-N 0 1 225.282 3.007 20 0 BGADMN FC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000880230695 590960994 /nfs/dbraw/zinc/96/09/94/590960994.db2.gz NLABCBIZKQMIOY-LLVKDONJSA-N 0 1 243.272 3.146 20 0 BGADMN FC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000880230695 590960990 /nfs/dbraw/zinc/96/09/90/590960990.db2.gz NLABCBIZKQMIOY-LLVKDONJSA-N 0 1 243.272 3.146 20 0 BGADMN FC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000880230696 590962011 /nfs/dbraw/zinc/96/20/11/590962011.db2.gz NLABCBIZKQMIOY-NSHDSACASA-N 0 1 243.272 3.146 20 0 BGADMN FC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000880230696 590962009 /nfs/dbraw/zinc/96/20/09/590962009.db2.gz NLABCBIZKQMIOY-NSHDSACASA-N 0 1 243.272 3.146 20 0 BGADMN FC[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000880231237 590962725 /nfs/dbraw/zinc/96/27/25/590962725.db2.gz WDWGUUVWQWZOBZ-JTQLQIEISA-N 0 1 243.272 3.146 20 0 BGADMN FC[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000880231238 590963104 /nfs/dbraw/zinc/96/31/04/590963104.db2.gz WDWGUUVWQWZOBZ-SNVBAGLBSA-N 0 1 243.272 3.146 20 0 BGADMN FC[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000880232731 590962625 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247.329 3.067 20 0 BGADMN C=C/C=C\CCSc1n[nH]c(C(C)(C)C)n1 ZINC000882088707 591293969 /nfs/dbraw/zinc/29/39/69/591293969.db2.gz JBADFINBCCLMLJ-SREVYHEPSA-N 0 1 237.372 3.327 20 0 BGADMN C=C/C=C\CCSc1nc(C(C)(C)C)n[nH]1 ZINC000882088707 591293968 /nfs/dbraw/zinc/29/39/68/591293968.db2.gz JBADFINBCCLMLJ-SREVYHEPSA-N 0 1 237.372 3.327 20 0 BGADMN C=C/C=C/CCSc1n[nH]c(C(C)(C)C)n1 ZINC000882088709 591293598 /nfs/dbraw/zinc/29/35/98/591293598.db2.gz JBADFINBCCLMLJ-VOTSOKGWSA-N 0 1 237.372 3.327 20 0 BGADMN C=C/C=C/CCSc1nc(C(C)(C)C)n[nH]1 ZINC000882088709 591293596 /nfs/dbraw/zinc/29/35/96/591293596.db2.gz JBADFINBCCLMLJ-VOTSOKGWSA-N 0 1 237.372 3.327 20 0 BGADMN Cc1cccc(NCC(C)(C)CC(F)F)n1 ZINC000882781477 591438114 /nfs/dbraw/zinc/43/81/14/591438114.db2.gz NLGGPZARUFPCDO-UHFFFAOYSA-N 0 1 228.286 3.483 20 0 BGADMN Cc1ccnc(NCC(C)(C)CC(F)F)c1 ZINC000882781801 591437759 /nfs/dbraw/zinc/43/77/59/591437759.db2.gz YHXFJKQFWMLXPU-UHFFFAOYSA-N 0 1 228.286 3.483 20 0 BGADMN Cc1nccc(N2CCC[C@@H](CF)C2)c1Cl 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ULPNQFAFQPTLIO-MRVPVSSYSA-N 0 1 221.728 3.412 20 0 BGADMN CC[C@H](NCCF)c1sccc1Cl ZINC000883221097 591576283 /nfs/dbraw/zinc/57/62/83/591576283.db2.gz ULPNQFAFQPTLIO-QMMMGPOBSA-N 0 1 221.728 3.412 20 0 BGADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@@H]1C=CCC1 ZINC000883245532 591585555 /nfs/dbraw/zinc/58/55/55/591585555.db2.gz NJBATWIUTCLPCL-KYOSRNDESA-N 0 1 247.313 3.014 20 0 BGADMN F[C@@H]1COc2ccccc2[C@@H]1NC[C@H]1C=CCC1 ZINC000883245533 591585867 /nfs/dbraw/zinc/58/58/67/591585867.db2.gz NJBATWIUTCLPCL-LNSITVRQSA-N 0 1 247.313 3.014 20 0 BGADMN F[C@@H]1COc2ccccc2[C@H]1NC[C@H]1C=CCC1 ZINC000883245534 591586126 /nfs/dbraw/zinc/58/61/26/591586126.db2.gz NJBATWIUTCLPCL-NJZAAPMLSA-N 0 1 247.313 3.014 20 0 BGADMN F[C@@H]1COc2ccccc2[C@H]1NC[C@@H]1C=CCC1 ZINC000883245535 591585885 /nfs/dbraw/zinc/58/58/85/591585885.db2.gz NJBATWIUTCLPCL-UXIGCNINSA-N 0 1 247.313 3.014 20 0 BGADMN Cc1cc([C@@H](C)NCC2(CC3CC3)CC2)no1 ZINC000883254083 591594144 /nfs/dbraw/zinc/59/41/44/591594144.db2.gz JMVFHLMXIWGSQX-LLVKDONJSA-N 0 1 234.343 3.214 20 0 BGADMN Cc1cc([C@H](C)NCC2(CC3CC3)CC2)no1 ZINC000883254084 591593921 /nfs/dbraw/zinc/59/39/21/591593921.db2.gz JMVFHLMXIWGSQX-NSHDSACASA-N 0 1 234.343 3.214 20 0 BGADMN Cc1cc([C@@H](C)NCC2(C)CC(F)(F)C2)no1 ZINC000883256473 591595377 /nfs/dbraw/zinc/59/53/77/591595377.db2.gz YROPGOWSIPSZGL-SECBINFHSA-N 0 1 244.285 3.069 20 0 BGADMN Cc1cc([C@H](C)NCC2(C)CC(F)(F)C2)no1 ZINC000883256474 591594582 /nfs/dbraw/zinc/59/45/82/591594582.db2.gz YROPGOWSIPSZGL-VIFPVBQESA-N 0 1 244.285 3.069 20 0 BGADMN COc1ccc(C2CC2)cc1CNCC1(F)CC1 ZINC000883258097 591596516 /nfs/dbraw/zinc/59/65/16/591596516.db2.gz QYFYMVKUGLPYOK-UHFFFAOYSA-N 0 1 249.329 3.164 20 0 BGADMN Cc1cc([C@H](C)NC[C@]2(C)CC2(C)C)no1 ZINC000883260786 591598911 /nfs/dbraw/zinc/59/89/11/591598911.db2.gz HBMRWJXACJVZJC-GWCFXTLKSA-N 0 1 222.332 3.070 20 0 BGADMN Cc1cc([C@H](C)NC[C@@]2(C)CC2(C)C)no1 ZINC000883260787 591598887 /nfs/dbraw/zinc/59/88/87/591598887.db2.gz HBMRWJXACJVZJC-GXFFZTMASA-N 0 1 222.332 3.070 20 0 BGADMN Cc1cc([C@@H](C)NC[C@]2(C)CC2(C)C)no1 ZINC000883260788 591598590 /nfs/dbraw/zinc/59/85/90/591598590.db2.gz HBMRWJXACJVZJC-MFKMUULPSA-N 0 1 222.332 3.070 20 0 BGADMN Cc1cc([C@@H](C)NC[C@@]2(C)CC2(C)C)no1 ZINC000883260789 591599178 /nfs/dbraw/zinc/59/91/78/591599178.db2.gz HBMRWJXACJVZJC-ZWNOBZJWSA-N 0 1 222.332 3.070 20 0 BGADMN C=C/C=C/CCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000883269778 591602860 /nfs/dbraw/zinc/60/28/60/591602860.db2.gz WOXUDOKVVPHPTD-MXKYZYEVSA-N 0 1 247.313 3.180 20 0 BGADMN C=C/C=C/CCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000883269779 591603489 /nfs/dbraw/zinc/60/34/89/591603489.db2.gz WOXUDOKVVPHPTD-PRXHZCDDSA-N 0 1 247.313 3.180 20 0 BGADMN C=C/C=C\CCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000883269780 591603418 /nfs/dbraw/zinc/60/34/18/591603418.db2.gz WOXUDOKVVPHPTD-REJHYOMKSA-N 0 1 247.313 3.180 20 0 BGADMN C=C/C=C\CCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000883269781 591603547 /nfs/dbraw/zinc/60/35/47/591603547.db2.gz WOXUDOKVVPHPTD-SQLJOLKNSA-N 0 1 247.313 3.180 20 0 BGADMN C[C@H](CCC1CC1)NC1(c2ncccn2)CCC1 ZINC000883311953 591611229 /nfs/dbraw/zinc/61/12/29/591611229.db2.gz PRVFLZUBSAXKFJ-GFCCVEGCSA-N 0 1 245.370 3.024 20 0 BGADMN C[C@@H](CCC1CC1)NC1(c2ncccn2)CCC1 ZINC000883311954 591610449 /nfs/dbraw/zinc/61/04/49/591610449.db2.gz PRVFLZUBSAXKFJ-LBPRGKRZSA-N 0 1 245.370 3.024 20 0 BGADMN C[C@H](CC(C)(C)C)NC1(c2ncccn2)CCC1 ZINC000883312184 591612504 /nfs/dbraw/zinc/61/25/04/591612504.db2.gz WQWXFEBRVNZFRF-GFCCVEGCSA-N 0 1 247.386 3.270 20 0 BGADMN C[C@@H](CC(C)(C)C)NC1(c2ncccn2)CCC1 ZINC000883312185 591611791 /nfs/dbraw/zinc/61/17/91/591611791.db2.gz WQWXFEBRVNZFRF-LBPRGKRZSA-N 0 1 247.386 3.270 20 0 BGADMN C[C@H](CC1CCC1)NC1(c2ncccn2)CCC1 ZINC000883312575 591612927 /nfs/dbraw/zinc/61/29/27/591612927.db2.gz HWCSPHJAAXITEL-GFCCVEGCSA-N 0 1 245.370 3.024 20 0 BGADMN C[C@@H](CC1CCC1)NC1(c2ncccn2)CCC1 ZINC000883312576 591612342 /nfs/dbraw/zinc/61/23/42/591612342.db2.gz HWCSPHJAAXITEL-LBPRGKRZSA-N 0 1 245.370 3.024 20 0 BGADMN 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591612695 /nfs/dbraw/zinc/61/26/95/591612695.db2.gz WWCQQPVLOSPSTE-ZDUSSCGKSA-N 0 1 247.386 3.414 20 0 BGADMN Cc1cc([C@@H](C)N[C@@H]2C[C@@H]3CCCC[C@H]23)no1 ZINC000883321860 591615888 /nfs/dbraw/zinc/61/58/88/591615888.db2.gz NQYIVMFUAHVZQR-OWTLIXCDSA-N 0 1 234.343 3.212 20 0 BGADMN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3CCCC[C@H]23)no1 ZINC000883321861 591616260 /nfs/dbraw/zinc/61/62/60/591616260.db2.gz NQYIVMFUAHVZQR-ZJQBRPOHSA-N 0 1 234.343 3.212 20 0 BGADMN CC[C@@H](CCC(F)(F)F)N[C@@H](C)C(F)F ZINC000883400123 591647621 /nfs/dbraw/zinc/64/76/21/591647621.db2.gz FHAKNAXTHGLWNV-BQBZGAKWSA-N 0 1 233.224 3.351 20 0 BGADMN CC[C@H](CCC(F)(F)F)N[C@@H](C)C(F)F ZINC000883400124 591647314 /nfs/dbraw/zinc/64/73/14/591647314.db2.gz FHAKNAXTHGLWNV-NKWVEPMBSA-N 0 1 233.224 3.351 20 0 BGADMN CC[C@H](CCC(F)(F)F)N[C@H](C)C(F)F ZINC000883400125 591647007 /nfs/dbraw/zinc/64/70/07/591647007.db2.gz FHAKNAXTHGLWNV-RNFRBKRXSA-N 0 1 233.224 3.351 20 0 BGADMN CC[C@@H](CCC(F)(F)F)N[C@H](C)C(F)F ZINC000883400126 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592250736 /nfs/dbraw/zinc/25/07/36/592250736.db2.gz YEGQJYPRBSDXQN-NSHDSACASA-N 0 1 242.388 3.105 20 0 BGADMN C[C@@H](NCCC1=CCCCC1)c1ncco1 ZINC000886538369 592252815 /nfs/dbraw/zinc/25/28/15/592252815.db2.gz HBJRTPSIAIHWMX-LLVKDONJSA-N 0 1 220.316 3.216 20 0 BGADMN C[C@H](NCCC1=CCCCC1)c1ncco1 ZINC000886538370 592252746 /nfs/dbraw/zinc/25/27/46/592252746.db2.gz HBJRTPSIAIHWMX-NSHDSACASA-N 0 1 220.316 3.216 20 0 BGADMN C[C@@H](NC[C@@H]1CCCC(F)(F)C1)c1ncco1 ZINC000886538467 585149934 /nfs/dbraw/zinc/14/99/34/585149934.db2.gz INDROEIESLRXTD-NXEZZACHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NC[C@H]1CCCC(F)(F)C1)c1ncco1 ZINC000886538468 585150035 /nfs/dbraw/zinc/15/00/35/585150035.db2.gz INDROEIESLRXTD-UWVGGRQHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NC[C@@H]1CCCC(F)(F)C1)c1ncco1 ZINC000886538469 585149763 /nfs/dbraw/zinc/14/97/63/585149763.db2.gz INDROEIESLRXTD-VHSXEESVSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@@H](NC[C@H]1CCCC(F)(F)C1)c1ncco1 ZINC000886538470 585149999 /nfs/dbraw/zinc/14/99/99/585149999.db2.gz INDROEIESLRXTD-ZJUUUORDSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NCCCC(C)(C)C)c1ncco1 ZINC000886538669 592251988 /nfs/dbraw/zinc/25/19/88/592251988.db2.gz MCIOLUXIEIKAGQ-JTQLQIEISA-N 0 1 210.321 3.152 20 0 BGADMN C[C@@H](NCCCC(C)(C)C)c1ncco1 ZINC000886538670 592252645 /nfs/dbraw/zinc/25/26/45/592252645.db2.gz MCIOLUXIEIKAGQ-SNVBAGLBSA-N 0 1 210.321 3.152 20 0 BGADMN C[C@@H](NCCCc1cccc(F)c1)c1ncco1 ZINC000886538984 592252575 /nfs/dbraw/zinc/25/25/75/592252575.db2.gz RADOAFXNQJZMDC-LLVKDONJSA-N 0 1 248.301 3.097 20 0 BGADMN C[C@H](NCCCc1cccc(F)c1)c1ncco1 ZINC000886538985 592253019 /nfs/dbraw/zinc/25/30/19/592253019.db2.gz RADOAFXNQJZMDC-NSHDSACASA-N 0 1 248.301 3.097 20 0 BGADMN C[C@@H](NCCCCc1ccccc1)c1ncco1 ZINC000886539109 592251998 /nfs/dbraw/zinc/25/19/98/592251998.db2.gz UFUCQLLGKJVGON-CYBMUJFWSA-N 0 1 244.338 3.348 20 0 BGADMN C[C@H](NCCCCc1ccccc1)c1ncco1 ZINC000886539110 592251920 /nfs/dbraw/zinc/25/19/20/592251920.db2.gz UFUCQLLGKJVGON-ZDUSSCGKSA-N 0 1 244.338 3.348 20 0 BGADMN C[C@@H](NCC1CCC(F)(F)CC1)c1ncco1 ZINC000886539230 592252370 /nfs/dbraw/zinc/25/23/70/592252370.db2.gz WVVMPPNHZINQRO-SECBINFHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NCC1CCC(F)(F)CC1)c1ncco1 ZINC000886539231 592252859 /nfs/dbraw/zinc/25/28/59/592252859.db2.gz WVVMPPNHZINQRO-VIFPVBQESA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ncco1 ZINC000886539354 592253873 /nfs/dbraw/zinc/25/38/73/592253873.db2.gz YJCHEHOVEVVVLY-UBHSHLNASA-N 0 1 242.322 3.129 20 0 BGADMN C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ncco1 ZINC000886539355 592254234 /nfs/dbraw/zinc/25/42/34/592254234.db2.gz YJCHEHOVEVVVLY-XBFCOCLRSA-N 0 1 242.322 3.129 20 0 BGADMN C[C@@H](NCC[C@H]1CCCC1(F)F)c1ncco1 ZINC000886540521 592254321 /nfs/dbraw/zinc/25/43/21/592254321.db2.gz GKCFQGRTJFYZCJ-NXEZZACHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NCC[C@@H]1CCCC1(F)F)c1ncco1 ZINC000886540522 592254285 /nfs/dbraw/zinc/25/42/85/592254285.db2.gz GKCFQGRTJFYZCJ-UWVGGRQHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NCC[C@H]1CCCC1(F)F)c1ncco1 ZINC000886540523 592253738 /nfs/dbraw/zinc/25/37/38/592253738.db2.gz GKCFQGRTJFYZCJ-VHSXEESVSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@@H](NCC[C@@H]1CCCC1(F)F)c1ncco1 ZINC000886540524 592253801 /nfs/dbraw/zinc/25/38/01/592253801.db2.gz GKCFQGRTJFYZCJ-ZJUUUORDSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@@H](NC[C@@H](C)C(C)(C)C)c1ncco1 ZINC000886541374 592256132 /nfs/dbraw/zinc/25/61/32/592256132.db2.gz VGKWHVQSBXTPKB-NXEZZACHSA-N 0 1 210.321 3.007 20 0 BGADMN C[C@@H](CN[C@@H](C)c1ncco1)C(C)(C)C ZINC000886541375 592255861 /nfs/dbraw/zinc/25/58/61/592255861.db2.gz VGKWHVQSBXTPKB-UWVGGRQHSA-N 0 1 210.321 3.007 20 0 BGADMN C[C@@H](CN[C@H](C)c1ncco1)C(C)(C)C ZINC000886541376 592254917 /nfs/dbraw/zinc/25/49/17/592254917.db2.gz VGKWHVQSBXTPKB-VHSXEESVSA-N 0 1 210.321 3.007 20 0 BGADMN C[C@H](CN[C@@H](C)c1ncco1)C(C)(C)C ZINC000886541377 645888329 /nfs/dbraw/zinc/88/83/29/645888329.db2.gz VGKWHVQSBXTPKB-ZJUUUORDSA-N 0 1 210.321 3.007 20 0 BGADMN C[C@H](NCCC(C)(C)C1CC1)c1ncco1 ZINC000886541630 592255169 /nfs/dbraw/zinc/25/51/69/592255169.db2.gz YUNAESDWGYYUGO-JTQLQIEISA-N 0 1 222.332 3.152 20 0 BGADMN C[C@@H](NCCC(C)(C)C1CC1)c1ncco1 ZINC000886541631 592255459 /nfs/dbraw/zinc/25/54/59/592255459.db2.gz YUNAESDWGYYUGO-SNVBAGLBSA-N 0 1 222.332 3.152 20 0 BGADMN C[C@@H]1CCN(Cc2ccon2)[C@@H]1c1ccccc1 ZINC000886543392 592254991 /nfs/dbraw/zinc/25/49/91/592254991.db2.gz OAJICSIIKRGWCI-DOMZBBRYSA-N 0 1 242.322 3.258 20 0 BGADMN C[C@@H]1CCN(Cc2ccon2)[C@H]1c1ccccc1 ZINC000886543393 592255093 /nfs/dbraw/zinc/25/50/93/592255093.db2.gz OAJICSIIKRGWCI-IUODEOHRSA-N 0 1 242.322 3.258 20 0 BGADMN C[C@H]1CCN(Cc2ccon2)[C@H]1c1ccccc1 ZINC000886543394 592256108 /nfs/dbraw/zinc/25/61/08/592256108.db2.gz OAJICSIIKRGWCI-SWLSCSKDSA-N 0 1 242.322 3.258 20 0 BGADMN C[C@H]1CCN(Cc2ccon2)[C@@H]1c1ccccc1 ZINC000886543395 592255725 /nfs/dbraw/zinc/25/57/25/592255725.db2.gz OAJICSIIKRGWCI-WFASDCNBSA-N 0 1 242.322 3.258 20 0 BGADMN CN(CCCF)Cc1cc(-c2ccccc2)no1 ZINC000887136278 592451468 /nfs/dbraw/zinc/45/14/68/592451468.db2.gz OTXJYIQSRBNIGW-UHFFFAOYSA-N 0 1 248.301 3.133 20 0 BGADMN COc1cc(Cl)ccc1CN(C)CCCF ZINC000887141031 592455253 /nfs/dbraw/zinc/45/52/53/592455253.db2.gz CBARDZMMFSLWKR-UHFFFAOYSA-N 0 1 245.725 3.140 20 0 BGADMN COc1ccc(CN(C)CCCF)c(Cl)c1 ZINC000887141174 592456979 /nfs/dbraw/zinc/45/69/79/592456979.db2.gz IOTMQWQBYUBSND-UHFFFAOYSA-N 0 1 245.725 3.140 20 0 BGADMN CN(CCCF)Cc1cc(F)ccc1Cl ZINC000887141197 592454750 /nfs/dbraw/zinc/45/47/50/592454750.db2.gz JOMXCEJRYXIYDP-UHFFFAOYSA-N 0 1 233.689 3.271 20 0 BGADMN C[C@@H](c1nc2ccccc2o1)N(C)CCCF ZINC000887141203 592455324 /nfs/dbraw/zinc/45/53/24/592455324.db2.gz JVPKDXNGSLPQOS-JTQLQIEISA-N 0 1 236.290 3.180 20 0 BGADMN C[C@H](c1nc2ccccc2o1)N(C)CCCF ZINC000887141204 592454841 /nfs/dbraw/zinc/45/48/41/592454841.db2.gz JVPKDXNGSLPQOS-SNVBAGLBSA-N 0 1 236.290 3.180 20 0 BGADMN CN(CCCF)Cc1cccc(Cl)c1F ZINC000887141384 592456858 /nfs/dbraw/zinc/45/68/58/592456858.db2.gz QTUYWBULABHZNU-UHFFFAOYSA-N 0 1 233.689 3.271 20 0 BGADMN COc1ccc(Cl)c(CN(C)CCCF)c1 ZINC000887141493 592456368 /nfs/dbraw/zinc/45/63/68/592456368.db2.gz WOPWMZOXJLWXIN-UHFFFAOYSA-N 0 1 245.725 3.140 20 0 BGADMN CN(CCCF)Cc1sccc1Cl ZINC000887141536 592456359 /nfs/dbraw/zinc/45/63/59/592456359.db2.gz YAWDITXMIFLVLY-UHFFFAOYSA-N 0 1 221.728 3.193 20 0 BGADMN CN(CCCF)Cc1cccc(F)c1Cl ZINC000887141542 592458242 /nfs/dbraw/zinc/45/82/42/592458242.db2.gz YOKSCVZOEOBGPR-UHFFFAOYSA-N 0 1 233.689 3.271 20 0 BGADMN COc1cccc(CN(C)CCCF)c1Cl ZINC000887142714 592458816 /nfs/dbraw/zinc/45/88/16/592458816.db2.gz XLUROPBZQDOWNN-UHFFFAOYSA-N 0 1 245.725 3.140 20 0 BGADMN CN(CCCF)Cc1cc(C(F)(F)F)co1 ZINC000887143651 592458723 /nfs/dbraw/zinc/45/87/23/592458723.db2.gz KGUZEKRXOQLVDN-UHFFFAOYSA-N 0 1 239.212 3.090 20 0 BGADMN CC(C)(C)c1cnc(CNC2(C3CC3)CCC2)o1 ZINC000887145237 592461076 /nfs/dbraw/zinc/46/10/76/592461076.db2.gz UHZOIPVVMRGDMW-UHFFFAOYSA-N 0 1 248.370 3.394 20 0 BGADMN CC(C)c1noc([C@H](C)NC2(C3CC3)CCC2)n1 ZINC000887145338 592461031 /nfs/dbraw/zinc/46/10/31/592461031.db2.gz ZGZHTEFCGJHOAR-JTQLQIEISA-N 0 1 249.358 3.176 20 0 BGADMN CC(C)c1noc([C@@H](C)NC2(C3CC3)CCC2)n1 ZINC000887145339 592460875 /nfs/dbraw/zinc/46/08/75/592460875.db2.gz ZGZHTEFCGJHOAR-SNVBAGLBSA-N 0 1 249.358 3.176 20 0 BGADMN CC(C)c1cnc(CNC2(C3CC3)CCC2)o1 ZINC000887146406 592461313 /nfs/dbraw/zinc/46/13/13/592461313.db2.gz VPVSDKMSHQFKLH-UHFFFAOYSA-N 0 1 234.343 3.220 20 0 BGADMN Clc1nc(CNC2(C3CC3)CCC2)cs1 ZINC000887148465 592454340 /nfs/dbraw/zinc/45/43/40/592454340.db2.gz DEIDFLJKWURSJM-UHFFFAOYSA-N 0 1 242.775 3.219 20 0 BGADMN Cc1cc(F)ncc1CN(C)Cc1ccccc1 ZINC000891391852 582676742 /nfs/dbraw/zinc/67/67/42/582676742.db2.gz YFIXOSSRLLUSIE-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN Cc1cc(CN(C)Cc2ccccc2)cnc1F ZINC000891392050 582676675 /nfs/dbraw/zinc/67/66/75/582676675.db2.gz XTWGOQUZTGZAKK-UHFFFAOYSA-N 0 1 244.313 3.161 20 0 BGADMN CCC[N@@H+](CC)Cc1c(C)nn(C(C)C)c1C ZINC000891399244 582677691 /nfs/dbraw/zinc/67/76/91/582677691.db2.gz IMMJEQKGHHSYMO-UHFFFAOYSA-N 0 1 237.391 3.313 20 0 BGADMN CCCN(CC)Cc1nc(C(C)(C)C)co1 ZINC000891399302 642475120 /nfs/dbraw/zinc/47/51/20/642475120.db2.gz KHBOGHMTPNVZHH-UHFFFAOYSA-N 0 1 224.348 3.204 20 0 BGADMN CCC[N@@H+](CC)Cc1nc(C(C)(C)C)co1 ZINC000891399302 642475117 /nfs/dbraw/zinc/47/51/17/642475117.db2.gz KHBOGHMTPNVZHH-UHFFFAOYSA-N 0 1 224.348 3.204 20 0 BGADMN CCCN(CC)Cc1cc(C)cnc1Cl ZINC000891399340 642475203 /nfs/dbraw/zinc/47/52/03/642475203.db2.gz LNVHHLZDDPHVJB-UHFFFAOYSA-N 0 1 226.751 3.275 20 0 BGADMN CCC[N@@H+](CC)Cc1cc(C)cnc1Cl ZINC000891399340 642475199 /nfs/dbraw/zinc/47/51/99/642475199.db2.gz LNVHHLZDDPHVJB-UHFFFAOYSA-N 0 1 226.751 3.275 20 0 BGADMN CCCN(CC)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891399837 642469302 /nfs/dbraw/zinc/46/93/02/642469302.db2.gz NDZAUXTXQXJJKB-UHFFFAOYSA-N 0 1 241.766 3.172 20 0 BGADMN CC(C)[C@@H](C)N(Cc1nccn1C1CC1)C1CC1 ZINC000891438295 582685072 /nfs/dbraw/zinc/68/50/72/582685072.db2.gz IKHKZJMZIUZBPI-GFCCVEGCSA-N 0 1 247.386 3.227 20 0 BGADMN CC(C)[C@H](C)N(Cc1nccn1C1CC1)C1CC1 ZINC000891438296 582685079 /nfs/dbraw/zinc/68/50/79/582685079.db2.gz IKHKZJMZIUZBPI-LBPRGKRZSA-N 0 1 247.386 3.227 20 0 BGADMN Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cnc1F ZINC000891444755 631316184 /nfs/dbraw/zinc/31/61/84/631316184.db2.gz NCLHXMQEYBUOLE-PHIMTYICSA-N 0 1 236.334 3.007 20 0 BGADMN Cc1cnc(Cl)c(CN2CCC[C@H](C)C2)c1 ZINC000891446915 631321383 /nfs/dbraw/zinc/32/13/83/631321383.db2.gz MBNPWNZMEZYVNH-JTQLQIEISA-N 0 1 238.762 3.275 20 0 BGADMN Cc1cnc(Cl)c(CN2CCC[C@@H](C)C2)c1 ZINC000891446916 631321806 /nfs/dbraw/zinc/32/18/06/631321806.db2.gz MBNPWNZMEZYVNH-SNVBAGLBSA-N 0 1 238.762 3.275 20 0 BGADMN CCCCN(C)Cc1cc(C)cnc1Cl ZINC000891450193 582689228 /nfs/dbraw/zinc/68/92/28/582689228.db2.gz LKGVEPXOXONMHE-UHFFFAOYSA-N 0 1 226.751 3.275 20 0 BGADMN CCN(Cc1ccc(OC)o1)Cc1ccccc1 ZINC000891452151 631361017 /nfs/dbraw/zinc/36/10/17/631361017.db2.gz 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/nfs/dbraw/zinc/64/70/35/584647035.db2.gz HLQXZKFNRDHCKE-UHFFFAOYSA-N 0 1 244.338 3.228 20 0 BGADMN CCNc1ccccc1CNCc1ccc(C)o1 ZINC000902634118 584647792 /nfs/dbraw/zinc/64/77/92/584647792.db2.gz ZSVUOEBQFWJRMX-UHFFFAOYSA-N 0 1 244.338 3.310 20 0 BGADMN CNc1ccccc1CN[C@@H](C)c1cncs1 ZINC000902689354 584656295 /nfs/dbraw/zinc/65/62/95/584656295.db2.gz GRERADIEAACMTN-JTQLQIEISA-N 0 1 247.367 3.036 20 0 BGADMN CNc1ccccc1CN[C@H](C)c1cncs1 ZINC000902689355 584656338 /nfs/dbraw/zinc/65/63/38/584656338.db2.gz GRERADIEAACMTN-SNVBAGLBSA-N 0 1 247.367 3.036 20 0 BGADMN Cc1cn[nH]c1CNc1ccc(C(C)(C)C)nc1 ZINC000902714622 637327099 /nfs/dbraw/zinc/32/70/99/637327099.db2.gz PKINCSHAEQLSAL-UHFFFAOYSA-N 0 1 244.342 3.023 20 0 BGADMN FCc1ccccc1CN1CCC[C@@H](F)C1 ZINC000902990750 584709619 /nfs/dbraw/zinc/70/96/19/584709619.db2.gz FMSSGSVLKWXMDS-CYBMUJFWSA-N 0 1 225.282 3.090 20 0 BGADMN FCc1ccccc1CN1CCC[C@H](F)C1 ZINC000902990751 584709273 /nfs/dbraw/zinc/70/92/73/584709273.db2.gz FMSSGSVLKWXMDS-ZDUSSCGKSA-N 0 1 225.282 3.090 20 0 BGADMN F[C@@H]1CCCN(CC[C@H]2CCCC2(F)F)C1 ZINC000902991539 584710381 /nfs/dbraw/zinc/71/03/81/584710381.db2.gz VAMHUGTWPJCKTN-GHMZBOCLSA-N 0 1 235.293 3.246 20 0 BGADMN F[C@H]1CCCN(CC[C@H]2CCCC2(F)F)C1 ZINC000902991540 584710209 /nfs/dbraw/zinc/71/02/09/584710209.db2.gz VAMHUGTWPJCKTN-MNOVXSKESA-N 0 1 235.293 3.246 20 0 BGADMN F[C@H]1CCCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000902991541 584710426 /nfs/dbraw/zinc/71/04/26/584710426.db2.gz VAMHUGTWPJCKTN-QWRGUYRKSA-N 0 1 235.293 3.246 20 0 BGADMN F[C@@H]1CCCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000902991542 584710408 /nfs/dbraw/zinc/71/04/08/584710408.db2.gz VAMHUGTWPJCKTN-WDEREUQCSA-N 0 1 235.293 3.246 20 0 BGADMN F[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC000902995076 584708267 /nfs/dbraw/zinc/70/82/67/584708267.db2.gz KOVSCJJTKUNTHO-GFCCVEGCSA-N 0 1 227.348 3.115 20 0 BGADMN F[C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000902995076 584708265 /nfs/dbraw/zinc/70/82/65/584708265.db2.gz KOVSCJJTKUNTHO-GFCCVEGCSA-N 0 1 227.348 3.115 20 0 BGADMN F[C@H]1CCCN(CCCc2ccsc2)C1 ZINC000902995077 584708443 /nfs/dbraw/zinc/70/84/43/584708443.db2.gz KOVSCJJTKUNTHO-LBPRGKRZSA-N 0 1 227.348 3.115 20 0 BGADMN F[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000902995077 584708442 /nfs/dbraw/zinc/70/84/42/584708442.db2.gz KOVSCJJTKUNTHO-LBPRGKRZSA-N 0 1 227.348 3.115 20 0 BGADMN F[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000902995619 584708450 /nfs/dbraw/zinc/70/84/50/584708450.db2.gz OKASYRLOMJKVMP-AWEZNQCLSA-N 0 1 243.366 3.017 20 0 BGADMN FCc1ccc(CN2CCC[C@@H](F)C2)cc1 ZINC000902996568 584714573 /nfs/dbraw/zinc/71/45/73/584714573.db2.gz VNRMTWABZAHTAS-CYBMUJFWSA-N 0 1 225.282 3.090 20 0 BGADMN FCc1ccc(CN2CCC[C@H](F)C2)cc1 ZINC000902996569 584714601 /nfs/dbraw/zinc/71/46/01/584714601.db2.gz VNRMTWABZAHTAS-ZDUSSCGKSA-N 0 1 225.282 3.090 20 0 BGADMN CCC(F)(F)CN[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903070025 637340781 /nfs/dbraw/zinc/34/07/81/637340781.db2.gz OAUGCOWGGWNOEL-JGPRNRPPSA-N 0 1 217.303 3.200 20 0 BGADMN CCC(F)(F)CNC1C[C@H]2CCC[C@@H]2C1 ZINC000903070026 637340504 /nfs/dbraw/zinc/34/05/04/637340504.db2.gz OAUGCOWGGWNOEL-NXEZZACHSA-N 0 1 217.303 3.200 20 0 BGADMN CCC(F)(F)CNC1C[C@@H]2CCC[C@H]2C1 ZINC000903070027 637340825 /nfs/dbraw/zinc/34/08/25/637340825.db2.gz OAUGCOWGGWNOEL-UWVGGRQHSA-N 0 1 217.303 3.200 20 0 BGADMN C/C=C/CN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903070296 637340903 /nfs/dbraw/zinc/34/09/03/637340903.db2.gz SXGKFQLFTOCBMK-CDAZIORVSA-N 0 1 244.260 3.327 20 0 BGADMN C/C=C/CN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903070297 637340465 /nfs/dbraw/zinc/34/04/65/637340465.db2.gz SXGKFQLFTOCBMK-NWALNABHSA-N 0 1 244.260 3.327 20 0 BGADMN C/C=C\CN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903070298 637340957 /nfs/dbraw/zinc/34/09/57/637340957.db2.gz SXGKFQLFTOCBMK-TYRPZCRBSA-N 0 1 244.260 3.327 20 0 BGADMN C/C=C\CN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903070299 637340732 /nfs/dbraw/zinc/34/07/32/637340732.db2.gz SXGKFQLFTOCBMK-ZBJFTSOASA-N 0 1 244.260 3.327 20 0 BGADMN CCC[C@H](C)CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903087548 584725368 /nfs/dbraw/zinc/72/53/68/584725368.db2.gz MOINBHISRPKNPK-AAEUAGOBSA-N 0 1 235.375 3.203 20 0 BGADMN CCC[C@@H](C)CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903087549 584725281 /nfs/dbraw/zinc/72/52/81/584725281.db2.gz MOINBHISRPKNPK-DGCLKSJQSA-N 0 1 235.375 3.203 20 0 BGADMN CCC[C@H](C)CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903087550 584725557 /nfs/dbraw/zinc/72/55/57/584725557.db2.gz MOINBHISRPKNPK-WCQYABFASA-N 0 1 235.375 3.203 20 0 BGADMN CCC[C@@H](C)CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903087551 584725092 /nfs/dbraw/zinc/72/50/92/584725092.db2.gz MOINBHISRPKNPK-YPMHNXCESA-N 0 1 235.375 3.203 20 0 BGADMN Cc1cc([C@H](C)NC[C@]23C[C@H]2CCCC3)no1 ZINC000903162801 584731988 /nfs/dbraw/zinc/73/19/88/584731988.db2.gz PVJNGIXVODBPPD-SCRDCRAPSA-N 0 1 234.343 3.214 20 0 BGADMN Cc1cc([C@H](C)NC[C@@]23C[C@@H]2CCCC3)no1 ZINC000903162802 584731849 /nfs/dbraw/zinc/73/18/49/584731849.db2.gz PVJNGIXVODBPPD-SGMGOOAPSA-N 0 1 234.343 3.214 20 0 BGADMN F[C@@H]1CCCC[C@H]1N[C@H](c1ccccn1)C1CC1 ZINC000903189656 584735918 /nfs/dbraw/zinc/73/59/18/584735918.db2.gz FRSBTXNFBOOWKK-NFAWXSAZSA-N 0 1 248.345 3.403 20 0 BGADMN F[C@@H]1CCCC[C@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000903189657 584736023 /nfs/dbraw/zinc/73/60/23/584736023.db2.gz FRSBTXNFBOOWKK-UMVBOHGHSA-N 0 1 248.345 3.403 20 0 BGADMN F[C@@H]1CCCC[C@@H]1N[C@H](c1ccccn1)C1CC1 ZINC000903209080 584736731 /nfs/dbraw/zinc/73/67/31/584736731.db2.gz FRSBTXNFBOOWKK-IPYPFGDCSA-N 0 1 248.345 3.403 20 0 BGADMN F[C@@H]1CCCC[C@@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000903209081 584736795 /nfs/dbraw/zinc/73/67/95/584736795.db2.gz FRSBTXNFBOOWKK-VNHYZAJKSA-N 0 1 248.345 3.403 20 0 BGADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cs1 ZINC000903253247 584739098 /nfs/dbraw/zinc/73/90/98/584739098.db2.gz IQYVBSPESBTSDQ-OWRUSBMPSA-N 0 1 236.384 3.147 20 0 BGADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cs1 ZINC000903253249 584739128 /nfs/dbraw/zinc/73/91/28/584739128.db2.gz IQYVBSPESBTSDQ-QRIQYOGLSA-N 0 1 236.384 3.147 20 0 BGADMN C[C@@H](N[C@@H]1CCCC2(CC2)C1)c1ncco1 ZINC000903280082 584742975 /nfs/dbraw/zinc/74/29/75/584742975.db2.gz SFIFHUGBPBVBHU-GHMZBOCLSA-N 0 1 220.316 3.048 20 0 BGADMN C[C@@H](N[C@H]1CCCC2(CC2)C1)c1ncco1 ZINC000903280084 584742676 /nfs/dbraw/zinc/74/26/76/584742676.db2.gz SFIFHUGBPBVBHU-MNOVXSKESA-N 0 1 220.316 3.048 20 0 BGADMN C[C@H](N[C@H]1CCCC2(CC2)C1)c1ncco1 ZINC000903280085 584743014 /nfs/dbraw/zinc/74/30/14/584743014.db2.gz SFIFHUGBPBVBHU-QWRGUYRKSA-N 0 1 220.316 3.048 20 0 BGADMN C[C@H](N[C@@H]1CCCC2(CC2)C1)c1ncco1 ZINC000903280087 584742954 /nfs/dbraw/zinc/74/29/54/584742954.db2.gz SFIFHUGBPBVBHU-WDEREUQCSA-N 0 1 220.316 3.048 20 0 BGADMN Cc1cncc([C@@H](C)N[C@H](C)c2cncs2)c1 ZINC000903309378 584747735 /nfs/dbraw/zinc/74/77/35/584747735.db2.gz FEEVRIKBVTYQLV-GHMZBOCLSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1cncc([C@@H](C)N[C@@H](C)c2cncs2)c1 ZINC000903309379 584747767 /nfs/dbraw/zinc/74/77/67/584747767.db2.gz FEEVRIKBVTYQLV-MNOVXSKESA-N 0 1 247.367 3.258 20 0 BGADMN Cc1cncc([C@H](C)N[C@@H](C)c2cncs2)c1 ZINC000903309380 584747723 /nfs/dbraw/zinc/74/77/23/584747723.db2.gz FEEVRIKBVTYQLV-QWRGUYRKSA-N 0 1 247.367 3.258 20 0 BGADMN Cc1cncc([C@H](C)N[C@H](C)c2cncs2)c1 ZINC000903309381 584747881 /nfs/dbraw/zinc/74/78/81/584747881.db2.gz FEEVRIKBVTYQLV-WDEREUQCSA-N 0 1 247.367 3.258 20 0 BGADMN CCCCC1(N[C@H](C)c2cc(C)on2)CC1 ZINC000903312516 584748169 /nfs/dbraw/zinc/74/81/69/584748169.db2.gz WKOUEZNYFMHKHL-LLVKDONJSA-N 0 1 222.332 3.356 20 0 BGADMN CCCCC1(N[C@@H](C)c2cc(C)on2)CC1 ZINC000903312517 584748250 /nfs/dbraw/zinc/74/82/50/584748250.db2.gz WKOUEZNYFMHKHL-NSHDSACASA-N 0 1 222.332 3.356 20 0 BGADMN CCCCC1(N[C@@H](C)c2ncco2)CC1 ZINC000903313249 584748434 /nfs/dbraw/zinc/74/84/34/584748434.db2.gz LSRLULDMGXUSEQ-JTQLQIEISA-N 0 1 208.305 3.048 20 0 BGADMN CCCCC1(N[C@H](C)c2ncco2)CC1 ZINC000903313250 584748681 /nfs/dbraw/zinc/74/86/81/584748681.db2.gz LSRLULDMGXUSEQ-SNVBAGLBSA-N 0 1 208.305 3.048 20 0 BGADMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccoc1 ZINC000903339151 584751624 /nfs/dbraw/zinc/75/16/24/584751624.db2.gz LKMLVWSVBOPVQL-ABAIWWIYSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccoc1 ZINC000903339152 584751969 /nfs/dbraw/zinc/75/19/69/584751969.db2.gz LKMLVWSVBOPVQL-IAQYHMDHSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccoc1 ZINC000903339153 584751894 /nfs/dbraw/zinc/75/18/94/584751894.db2.gz LKMLVWSVBOPVQL-NHYWBVRUSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccoc1 ZINC000903339154 584752137 /nfs/dbraw/zinc/75/21/37/584752137.db2.gz LKMLVWSVBOPVQL-XHDPSFHLSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H](NCC[C@H]1CCC(F)(F)C1)c1ncco1 ZINC000903341912 584752564 /nfs/dbraw/zinc/75/25/64/584752564.db2.gz UYESYEOPELCPGJ-NXEZZACHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NCC[C@@H]1CCC(F)(F)C1)c1ncco1 ZINC000903341913 584752804 /nfs/dbraw/zinc/75/28/04/584752804.db2.gz UYESYEOPELCPGJ-UWVGGRQHSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@H](NCC[C@H]1CCC(F)(F)C1)c1ncco1 ZINC000903341914 584752585 /nfs/dbraw/zinc/75/25/85/584752585.db2.gz UYESYEOPELCPGJ-VHSXEESVSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@@H](NCC[C@@H]1CCC(F)(F)C1)c1ncco1 ZINC000903341915 584752486 /nfs/dbraw/zinc/75/24/86/584752486.db2.gz UYESYEOPELCPGJ-ZJUUUORDSA-N 0 1 244.285 3.151 20 0 BGADMN C[C@@H](NC[C@@H]1CCC=CCCC1)c1ncco1 ZINC000903344577 584752819 /nfs/dbraw/zinc/75/28/19/584752819.db2.gz IBBNJLURQLXLSZ-CHWSQXEVSA-N 0 1 234.343 3.462 20 0 BGADMN C[C@@H](NC[C@H]1CCC=CCCC1)c1ncco1 ZINC000903344579 584752725 /nfs/dbraw/zinc/75/27/25/584752725.db2.gz IBBNJLURQLXLSZ-OLZOCXBDSA-N 0 1 234.343 3.462 20 0 BGADMN C[C@H](NC[C@@H]1CCC=CCCC1)c1ncco1 ZINC000903344581 584752583 /nfs/dbraw/zinc/75/25/83/584752583.db2.gz IBBNJLURQLXLSZ-QWHCGFSZSA-N 0 1 234.343 3.462 20 0 BGADMN C[C@H](NC[C@H]1CCC=CCCC1)c1ncco1 ZINC000903344583 584752632 /nfs/dbraw/zinc/75/26/32/584752632.db2.gz IBBNJLURQLXLSZ-STQMWFEESA-N 0 1 234.343 3.462 20 0 BGADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccco1 ZINC000903429503 584761745 /nfs/dbraw/zinc/76/17/45/584761745.db2.gz VCWKFNDTBCILJT-ABAIWWIYSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccco1 ZINC000903429504 584761497 /nfs/dbraw/zinc/76/14/97/584761497.db2.gz VCWKFNDTBCILJT-IAQYHMDHSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccco1 ZINC000903429505 584761680 /nfs/dbraw/zinc/76/16/80/584761680.db2.gz VCWKFNDTBCILJT-NHYWBVRUSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccco1 ZINC000903429506 584761763 /nfs/dbraw/zinc/76/17/63/584761763.db2.gz VCWKFNDTBCILJT-XHDPSFHLSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccoc1 ZINC000903430351 584761648 /nfs/dbraw/zinc/76/16/48/584761648.db2.gz YZLBKSVNJGNQSY-ABAIWWIYSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccoc1 ZINC000903430352 584761585 /nfs/dbraw/zinc/76/15/85/584761585.db2.gz YZLBKSVNJGNQSY-IAQYHMDHSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccoc1 ZINC000903430353 584761807 /nfs/dbraw/zinc/76/18/07/584761807.db2.gz YZLBKSVNJGNQSY-NHYWBVRUSA-N 0 1 242.322 3.477 20 0 BGADMN C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccoc1 ZINC000903430354 584761830 /nfs/dbraw/zinc/76/18/30/584761830.db2.gz YZLBKSVNJGNQSY-XHDPSFHLSA-N 0 1 242.322 3.477 20 0 BGADMN COc1cc(C)ccc1[C@H](C)NC/C=C\Cl ZINC000903442157 584767058 /nfs/dbraw/zinc/76/70/58/584767058.db2.gz KXXGMTQINIZSRH-IBHLPDHGSA-N 0 1 239.746 3.407 20 0 BGADMN COc1cc(C)ccc1[C@@H](C)NC/C=C\Cl ZINC000903442158 584767485 /nfs/dbraw/zinc/76/74/85/584767485.db2.gz KXXGMTQINIZSRH-MEQVVJDKSA-N 0 1 239.746 3.407 20 0 BGADMN COc1cc(C)ccc1[C@@H](C)NC/C=C/Cl ZINC000903442159 584767585 /nfs/dbraw/zinc/76/75/85/584767585.db2.gz KXXGMTQINIZSRH-TZOMUSMUSA-N 0 1 239.746 3.407 20 0 BGADMN COc1cc(C)ccc1[C@H](C)NC/C=C/Cl ZINC000903442160 584767095 /nfs/dbraw/zinc/76/70/95/584767095.db2.gz KXXGMTQINIZSRH-ZPMKCOPCSA-N 0 1 239.746 3.407 20 0 BGADMN COc1ccc([C@@H](C)NC/C=C/Cl)c(F)c1 ZINC000903442511 584767087 /nfs/dbraw/zinc/76/70/87/584767087.db2.gz PMHADUMMSOYDKG-BSPAPZMXSA-N 0 1 243.709 3.237 20 0 BGADMN COc1ccc([C@@H](C)NC/C=C\Cl)c(F)c1 ZINC000903442512 584767166 /nfs/dbraw/zinc/76/71/66/584767166.db2.gz PMHADUMMSOYDKG-JVBZPZKUSA-N 0 1 243.709 3.237 20 0 BGADMN COc1ccc([C@H](C)NC/C=C\Cl)c(F)c1 ZINC000903442513 584767378 /nfs/dbraw/zinc/76/73/78/584767378.db2.gz PMHADUMMSOYDKG-RWIWAZIYSA-N 0 1 243.709 3.237 20 0 BGADMN COc1ccc([C@H](C)NC/C=C/Cl)c(F)c1 ZINC000903442514 584767321 /nfs/dbraw/zinc/76/73/21/584767321.db2.gz PMHADUMMSOYDKG-SWTNXBIASA-N 0 1 243.709 3.237 20 0 BGADMN C[C@H](NC/C=C\Cl)c1cc(F)cc(F)c1 ZINC000903442533 584768192 /nfs/dbraw/zinc/76/81/92/584768192.db2.gz QGVOOQDXHMICMM-KZUAUGPASA-N 0 1 231.673 3.368 20 0 BGADMN C[C@H](NC/C=C/Cl)c1cc(F)cc(F)c1 ZINC000903442534 584768032 /nfs/dbraw/zinc/76/80/32/584768032.db2.gz QGVOOQDXHMICMM-SGJFDWMWSA-N 0 1 231.673 3.368 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1cc(F)cc(F)c1 ZINC000903442535 584768013 /nfs/dbraw/zinc/76/80/13/584768013.db2.gz QGVOOQDXHMICMM-UFUPEUMYSA-N 0 1 231.673 3.368 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1cc(F)cc(F)c1 ZINC000903442536 584768140 /nfs/dbraw/zinc/76/81/40/584768140.db2.gz QGVOOQDXHMICMM-YAJNLLPGSA-N 0 1 231.673 3.368 20 0 BGADMN CCc1ccc([C@@H](C)NC/C=C/Cl)o1 ZINC000903443195 584768001 /nfs/dbraw/zinc/76/80/01/584768001.db2.gz DASJBVIDWOGIFT-ILFKPUCNSA-N 0 1 213.708 3.245 20 0 BGADMN CCc1ccc([C@H](C)NC/C=C/Cl)o1 ZINC000903443196 584768074 /nfs/dbraw/zinc/76/80/74/584768074.db2.gz DASJBVIDWOGIFT-IYNCYZAOSA-N 0 1 213.708 3.245 20 0 BGADMN CCc1ccc([C@@H](C)NC/C=C\Cl)o1 ZINC000903443197 584768097 /nfs/dbraw/zinc/76/80/97/584768097.db2.gz DASJBVIDWOGIFT-WQAKUFEDSA-N 0 1 213.708 3.245 20 0 BGADMN CCc1ccc([C@H](C)NC/C=C\Cl)o1 ZINC000903443198 584767985 /nfs/dbraw/zinc/76/79/85/584767985.db2.gz DASJBVIDWOGIFT-WYDVEAGSSA-N 0 1 213.708 3.245 20 0 BGADMN Cc1cc([C@H](C)NC/C=C/Cl)oc1C ZINC000903443237 584768254 /nfs/dbraw/zinc/76/82/54/584768254.db2.gz DOPGFZXANCQFNR-MOVJSRMASA-N 0 1 213.708 3.300 20 0 BGADMN Cc1cc([C@H](C)NC/C=C\Cl)oc1C ZINC000903443238 584767987 /nfs/dbraw/zinc/76/79/87/584767987.db2.gz DOPGFZXANCQFNR-WBSSQXGSSA-N 0 1 213.708 3.300 20 0 BGADMN Cc1cc([C@@H](C)NC/C=C/Cl)oc1C ZINC000903443239 584767788 /nfs/dbraw/zinc/76/77/88/584767788.db2.gz DOPGFZXANCQFNR-XNPJLODASA-N 0 1 213.708 3.300 20 0 BGADMN Cc1cc([C@@H](C)NC/C=C\Cl)oc1C ZINC000903443240 584768021 /nfs/dbraw/zinc/76/80/21/584768021.db2.gz DOPGFZXANCQFNR-XRVBUDJMSA-N 0 1 213.708 3.300 20 0 BGADMN Cc1ccc([C@@H](C)NC/C=C\Cl)c(C)n1 ZINC000903443283 584768093 /nfs/dbraw/zinc/76/80/93/584768093.db2.gz FKCILNVLLHVSKD-ISGFRBBESA-N 0 1 224.735 3.102 20 0 BGADMN Cc1ccc([C@@H](C)NC/C=C/Cl)c(C)n1 ZINC000903443284 584767908 /nfs/dbraw/zinc/76/79/08/584767908.db2.gz FKCILNVLLHVSKD-LJJSCBMDSA-N 0 1 224.735 3.102 20 0 BGADMN Cc1ccc([C@H](C)NC/C=C/Cl)c(C)n1 ZINC000903443285 584767903 /nfs/dbraw/zinc/76/79/03/584767903.db2.gz FKCILNVLLHVSKD-QBBOHKLWSA-N 0 1 224.735 3.102 20 0 BGADMN Cc1ccc([C@H](C)NC/C=C\Cl)c(C)n1 ZINC000903443286 584768169 /nfs/dbraw/zinc/76/81/69/584768169.db2.gz FKCILNVLLHVSKD-VAWSOJLPSA-N 0 1 224.735 3.102 20 0 BGADMN C[C@H](NC/C=C\Cl)c1cnn(C2CCC2)c1 ZINC000903443328 584767994 /nfs/dbraw/zinc/76/79/94/584767994.db2.gz GDVAQRHRZUHWLH-NWPZZWLHSA-N 0 1 239.750 3.011 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1cnn(C2CCC2)c1 ZINC000903443329 584768061 /nfs/dbraw/zinc/76/80/61/584768061.db2.gz GDVAQRHRZUHWLH-QLCVYAKKSA-N 0 1 239.750 3.011 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1cnn(C2CCC2)c1 ZINC000903443330 584768011 /nfs/dbraw/zinc/76/80/11/584768011.db2.gz GDVAQRHRZUHWLH-XICOKMJESA-N 0 1 239.750 3.011 20 0 BGADMN C[C@H](NC/C=C/Cl)c1cnn(C2CCC2)c1 ZINC000903443331 584768052 /nfs/dbraw/zinc/76/80/52/584768052.db2.gz GDVAQRHRZUHWLH-YVGDHZEHSA-N 0 1 239.750 3.011 20 0 BGADMN Cl/C=C/CN[C@H]1CCCOc2ccccc21 ZINC000903443504 584768461 /nfs/dbraw/zinc/76/84/61/584768461.db2.gz HOCFXSLSNFTISO-GXWOQWCDSA-N 0 1 237.730 3.242 20 0 BGADMN Cl/C=C\CN[C@@H]1CCCOc2ccccc21 ZINC000903443505 584768782 /nfs/dbraw/zinc/76/87/82/584768782.db2.gz HOCFXSLSNFTISO-HXUAIIEXSA-N 0 1 237.730 3.242 20 0 BGADMN Cl/C=C\CN[C@H]1CCCOc2ccccc21 ZINC000903443506 584768610 /nfs/dbraw/zinc/76/86/10/584768610.db2.gz HOCFXSLSNFTISO-LDJOOVGUSA-N 0 1 237.730 3.242 20 0 BGADMN Cl/C=C/CN[C@@H]1CCCOc2ccccc21 ZINC000903443507 584768805 /nfs/dbraw/zinc/76/88/05/584768805.db2.gz HOCFXSLSNFTISO-WNPFHQFXSA-N 0 1 237.730 3.242 20 0 BGADMN CCc1nc(C)c([C@H](C)NC/C=C/Cl)s1 ZINC000903443524 584768948 /nfs/dbraw/zinc/76/89/48/584768948.db2.gz HWBHOTYZXNYRBI-GJIOHYHPSA-N 0 1 244.791 3.417 20 0 BGADMN CCc1nc(C)c([C@@H](C)NC/C=C/Cl)s1 ZINC000903443525 584768887 /nfs/dbraw/zinc/76/88/87/584768887.db2.gz HWBHOTYZXNYRBI-HQZHTGGTSA-N 0 1 244.791 3.417 20 0 BGADMN CCc1nc(C)c([C@@H](C)NC/C=C\Cl)s1 ZINC000903443526 584768613 /nfs/dbraw/zinc/76/86/13/584768613.db2.gz HWBHOTYZXNYRBI-RPSMYOMKSA-N 0 1 244.791 3.417 20 0 BGADMN CCc1nc(C)c([C@H](C)NC/C=C\Cl)s1 ZINC000903443527 584768842 /nfs/dbraw/zinc/76/88/42/584768842.db2.gz HWBHOTYZXNYRBI-SLGIHZDVSA-N 0 1 244.791 3.417 20 0 BGADMN Cl/C=C\CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000903443534 584768962 /nfs/dbraw/zinc/76/89/62/584768962.db2.gz HYXPXHFAQRONAP-BZJCWKMFSA-N 0 1 243.137 3.064 20 0 BGADMN Cl/C=C\CN[C@H]1CCc2ccc(Cl)nc21 ZINC000903443535 584768484 /nfs/dbraw/zinc/76/84/84/584768484.db2.gz HYXPXHFAQRONAP-DMVNYIJKSA-N 0 1 243.137 3.064 20 0 BGADMN Cl/C=C/CN[C@H]1CCc2ccc(Cl)nc21 ZINC000903443536 584768482 /nfs/dbraw/zinc/76/84/82/584768482.db2.gz HYXPXHFAQRONAP-VDQPFSJTSA-N 0 1 243.137 3.064 20 0 BGADMN Cl/C=C/CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000903443537 584768964 /nfs/dbraw/zinc/76/89/64/584768964.db2.gz HYXPXHFAQRONAP-ZNJPJMFHSA-N 0 1 243.137 3.064 20 0 BGADMN C[C@H](NC/C=C/Cl)c1ccnn1C1CCC1 ZINC000903443538 584768955 /nfs/dbraw/zinc/76/89/55/584768955.db2.gz IAHSROMWNIXEJW-HTZNOQTFSA-N 0 1 239.750 3.011 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1ccnn1C1CCC1 ZINC000903443539 584768960 /nfs/dbraw/zinc/76/89/60/584768960.db2.gz IAHSROMWNIXEJW-KFEJWOFMSA-N 0 1 239.750 3.011 20 0 BGADMN C[C@H](NC/C=C\Cl)c1ccnn1C1CCC1 ZINC000903443540 584768493 /nfs/dbraw/zinc/76/84/93/584768493.db2.gz IAHSROMWNIXEJW-NXSJDDFASA-N 0 1 239.750 3.011 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1ccnn1C1CCC1 ZINC000903443541 584768791 /nfs/dbraw/zinc/76/87/91/584768791.db2.gz IAHSROMWNIXEJW-WXGCRTCVSA-N 0 1 239.750 3.011 20 0 BGADMN C[C@@H]([NH2+]C/C=C/Cl)c1ccc(Cl)cc1[O-] ZINC000903443714 584768992 /nfs/dbraw/zinc/76/89/92/584768992.db2.gz JQJAKBBIUCJBGM-IBDUZEINSA-N 0 1 246.137 3.449 20 0 BGADMN C[C@H]([NH2+]C/C=C/Cl)c1ccc(Cl)cc1[O-] ZINC000903443715 584768643 /nfs/dbraw/zinc/76/86/43/584768643.db2.gz JQJAKBBIUCJBGM-NCJLJLRUSA-N 0 1 246.137 3.449 20 0 BGADMN C[C@H]([NH2+]C/C=C\Cl)c1ccc(Cl)cc1[O-] ZINC000903443716 584768742 /nfs/dbraw/zinc/76/87/42/584768742.db2.gz JQJAKBBIUCJBGM-YAPUSRSVSA-N 0 1 246.137 3.449 20 0 BGADMN C[C@@H]([NH2+]C/C=C\Cl)c1ccc(Cl)cc1[O-] ZINC000903443717 584768983 /nfs/dbraw/zinc/76/89/83/584768983.db2.gz JQJAKBBIUCJBGM-ZTHSNPKKSA-N 0 1 246.137 3.449 20 0 BGADMN CC(C)[C@@H](NC/C=C\Cl)c1ccc(F)cn1 ZINC000903443890 584768684 /nfs/dbraw/zinc/76/86/84/584768684.db2.gz LLAICCYVMBBRRN-GCLPIYDQSA-N 0 1 242.725 3.260 20 0 BGADMN CC(C)[C@@H](NC/C=C/Cl)c1ccc(F)cn1 ZINC000903443891 584768629 /nfs/dbraw/zinc/76/86/29/584768629.db2.gz LLAICCYVMBBRRN-MJRJWQSSSA-N 0 1 242.725 3.260 20 0 BGADMN CC(C)[C@H](NC/C=C\Cl)c1ccc(F)cn1 ZINC000903443892 584768765 /nfs/dbraw/zinc/76/87/65/584768765.db2.gz LLAICCYVMBBRRN-RYBZSIHZSA-N 0 1 242.725 3.260 20 0 BGADMN CC(C)[C@H](NC/C=C/Cl)c1ccc(F)cn1 ZINC000903443893 584768932 /nfs/dbraw/zinc/76/89/32/584768932.db2.gz LLAICCYVMBBRRN-UXONFWTHSA-N 0 1 242.725 3.260 20 0 BGADMN CCc1cccnc1[C@@H](C)NC/C=C/Cl ZINC000903443982 584768521 /nfs/dbraw/zinc/76/85/21/584768521.db2.gz MQOYTJXEQPYZBT-BREXMAIKSA-N 0 1 224.735 3.047 20 0 BGADMN CCc1cccnc1[C@H](C)NC/C=C\Cl ZINC000903443983 584768436 /nfs/dbraw/zinc/76/84/36/584768436.db2.gz MQOYTJXEQPYZBT-BXKUYDPTSA-N 0 1 224.735 3.047 20 0 BGADMN CCc1cccnc1[C@@H](C)NC/C=C\Cl ZINC000903443984 584768497 /nfs/dbraw/zinc/76/84/97/584768497.db2.gz MQOYTJXEQPYZBT-ONRRBMGISA-N 0 1 224.735 3.047 20 0 BGADMN CCc1cccnc1[C@H](C)NC/C=C/Cl ZINC000903443985 584768448 /nfs/dbraw/zinc/76/84/48/584768448.db2.gz MQOYTJXEQPYZBT-STUBTGCMSA-N 0 1 224.735 3.047 20 0 BGADMN CCC[C@@H](NC/C=C/Cl)c1ccccn1 ZINC000903444141 584768976 /nfs/dbraw/zinc/76/89/76/584768976.db2.gz NKMHQAJEHNFPOS-AYLMVEPYSA-N 0 1 224.735 3.265 20 0 BGADMN CCC[C@H](NC/C=C/Cl)c1ccccn1 ZINC000903444142 584769284 /nfs/dbraw/zinc/76/92/84/584769284.db2.gz NKMHQAJEHNFPOS-BWNDKRECSA-N 0 1 224.735 3.265 20 0 BGADMN CCC[C@H](NC/C=C\Cl)c1ccccn1 ZINC000903444143 584769292 /nfs/dbraw/zinc/76/92/92/584769292.db2.gz NKMHQAJEHNFPOS-OFSNVTPPSA-N 0 1 224.735 3.265 20 0 BGADMN CCC[C@@H](NC/C=C\Cl)c1ccccn1 ZINC000903444144 584769257 /nfs/dbraw/zinc/76/92/57/584769257.db2.gz NKMHQAJEHNFPOS-UIJKISKDSA-N 0 1 224.735 3.265 20 0 BGADMN Cl/C=C\CN[C@@H]1CCc2c1nccc2Cl ZINC000903444145 584769614 /nfs/dbraw/zinc/76/96/14/584769614.db2.gz NLEGSUCKVWQFSJ-LMQQOLRNSA-N 0 1 243.137 3.064 20 0 BGADMN Cl/C=C/CN[C@H]1CCc2c1nccc2Cl ZINC000903444146 584769712 /nfs/dbraw/zinc/76/97/12/584769712.db2.gz NLEGSUCKVWQFSJ-OKEWEERVSA-N 0 1 243.137 3.064 20 0 BGADMN Cl/C=C\CN[C@H]1CCc2c1nccc2Cl ZINC000903444147 584769584 /nfs/dbraw/zinc/76/95/84/584769584.db2.gz NLEGSUCKVWQFSJ-RIXFDMRVSA-N 0 1 243.137 3.064 20 0 BGADMN Cl/C=C/CN[C@@H]1CCc2c1nccc2Cl ZINC000903444148 584769575 /nfs/dbraw/zinc/76/95/75/584769575.db2.gz NLEGSUCKVWQFSJ-XOTMTNNUSA-N 0 1 243.137 3.064 20 0 BGADMN C[C@@H]([NH2+]C/C=C/Cl)c1cc(Cl)ccc1[O-] ZINC000903444304 584769156 /nfs/dbraw/zinc/76/91/56/584769156.db2.gz OILVXURXLKURPK-IBDUZEINSA-N 0 1 246.137 3.449 20 0 BGADMN C[C@H]([NH2+]C/C=C/Cl)c1cc(Cl)ccc1[O-] ZINC000903444305 584769671 /nfs/dbraw/zinc/76/96/71/584769671.db2.gz OILVXURXLKURPK-NCJLJLRUSA-N 0 1 246.137 3.449 20 0 BGADMN C[C@H]([NH2+]C/C=C\Cl)c1cc(Cl)ccc1[O-] ZINC000903444306 584769341 /nfs/dbraw/zinc/76/93/41/584769341.db2.gz OILVXURXLKURPK-YAPUSRSVSA-N 0 1 246.137 3.449 20 0 BGADMN C[C@@H]([NH2+]C/C=C\Cl)c1cc(Cl)ccc1[O-] ZINC000903444307 584769367 /nfs/dbraw/zinc/76/93/67/584769367.db2.gz OILVXURXLKURPK-ZTHSNPKKSA-N 0 1 246.137 3.449 20 0 BGADMN Fc1cncc([C@H](NC/C=C/Cl)C2CC2)c1 ZINC000903444347 584769736 /nfs/dbraw/zinc/76/97/36/584769736.db2.gz OWNLMTDYLZJTGC-FXZDBVEHSA-N 0 1 240.709 3.014 20 0 BGADMN Fc1cncc([C@@H](NC/C=C\Cl)C2CC2)c1 ZINC000903444348 584769602 /nfs/dbraw/zinc/76/96/02/584769602.db2.gz OWNLMTDYLZJTGC-GEIFVHNQSA-N 0 1 240.709 3.014 20 0 BGADMN Fc1cncc([C@H](NC/C=C\Cl)C2CC2)c1 ZINC000903444349 584769403 /nfs/dbraw/zinc/76/94/03/584769403.db2.gz OWNLMTDYLZJTGC-VCUZLRKMSA-N 0 1 240.709 3.014 20 0 BGADMN Fc1cncc([C@@H](NC/C=C/Cl)C2CC2)c1 ZINC000903444350 584769390 /nfs/dbraw/zinc/76/93/90/584769390.db2.gz OWNLMTDYLZJTGC-YJEWXARHSA-N 0 1 240.709 3.014 20 0 BGADMN COc1ccsc1[C@H](C)NC/C=C\Cl ZINC000903445466 584769259 /nfs/dbraw/zinc/76/92/59/584769259.db2.gz UGZUFJFCTWRRGC-NHLYECAPSA-N 0 1 231.748 3.160 20 0 BGADMN COc1ccsc1[C@@H](C)NC/C=C\Cl ZINC000903445467 584769307 /nfs/dbraw/zinc/76/93/07/584769307.db2.gz UGZUFJFCTWRRGC-QIUOEGRZSA-N 0 1 231.748 3.160 20 0 BGADMN COc1ccsc1[C@@H](C)NC/C=C/Cl ZINC000903445468 584769138 /nfs/dbraw/zinc/76/91/38/584769138.db2.gz UGZUFJFCTWRRGC-RYEJSQLPSA-N 0 1 231.748 3.160 20 0 BGADMN COc1ccsc1[C@H](C)NC/C=C/Cl ZINC000903445469 584769517 /nfs/dbraw/zinc/76/95/17/584769517.db2.gz UGZUFJFCTWRRGC-WGAJWPLOSA-N 0 1 231.748 3.160 20 0 BGADMN Cc1c([C@@H](C)NC/C=C/Cl)cnn1C(C)C ZINC000903445514 584770399 /nfs/dbraw/zinc/77/03/99/584770399.db2.gz UTSKAXBHLSQHAL-BRAIEQGRSA-N 0 1 241.766 3.176 20 0 BGADMN Cc1c([C@H](C)NC/C=C\Cl)cnn1C(C)C ZINC000903445515 584769918 /nfs/dbraw/zinc/76/99/18/584769918.db2.gz UTSKAXBHLSQHAL-OMMCCPJFSA-N 0 1 241.766 3.176 20 0 BGADMN Cc1c([C@H](C)NC/C=C/Cl)cnn1C(C)C ZINC000903445516 584770051 /nfs/dbraw/zinc/77/00/51/584770051.db2.gz UTSKAXBHLSQHAL-PORFMDCZSA-N 0 1 241.766 3.176 20 0 BGADMN Cc1c([C@@H](C)NC/C=C\Cl)cnn1C(C)C ZINC000903445517 584770006 /nfs/dbraw/zinc/77/00/06/584770006.db2.gz UTSKAXBHLSQHAL-WWQCOOJYSA-N 0 1 241.766 3.176 20 0 BGADMN C[C@@H](NC/C=C/Cl)c1ccc(C(F)F)nc1 ZINC000903446608 584770139 /nfs/dbraw/zinc/77/01/39/584770139.db2.gz ZQHNLXWKSASRQV-IBDUZEINSA-N 0 1 246.688 3.422 20 0 BGADMN C[C@H](NC/C=C/Cl)c1ccc(C(F)F)nc1 ZINC000903446609 584769882 /nfs/dbraw/zinc/76/98/82/584769882.db2.gz ZQHNLXWKSASRQV-NCJLJLRUSA-N 0 1 246.688 3.422 20 0 BGADMN C[C@H](NC/C=C\Cl)c1ccc(C(F)F)nc1 ZINC000903446610 584770235 /nfs/dbraw/zinc/77/02/35/584770235.db2.gz ZQHNLXWKSASRQV-YAPUSRSVSA-N 0 1 246.688 3.422 20 0 BGADMN C[C@@H](NC/C=C\Cl)c1ccc(C(F)F)nc1 ZINC000903446611 584770141 /nfs/dbraw/zinc/77/01/41/584770141.db2.gz ZQHNLXWKSASRQV-ZTHSNPKKSA-N 0 1 246.688 3.422 20 0 BGADMN C[C@@H](NC1(C2CCCCC2)CC1)c1ncco1 ZINC000903448018 584770799 /nfs/dbraw/zinc/77/07/99/584770799.db2.gz HYTSBXISSPURCT-LLVKDONJSA-N 0 1 234.343 3.438 20 0 BGADMN C[C@H](NC1(C2CCCCC2)CC1)c1ncco1 ZINC000903448019 584770486 /nfs/dbraw/zinc/77/04/86/584770486.db2.gz HYTSBXISSPURCT-NSHDSACASA-N 0 1 234.343 3.438 20 0 BGADMN Cc1nonc1[C@H](C)NC1(C2CCCCC2)CC1 ZINC000903448414 584771108 /nfs/dbraw/zinc/77/11/08/584771108.db2.gz OXDHGCSOKOKWGO-JTQLQIEISA-N 0 1 249.358 3.142 20 0 BGADMN Cc1nonc1[C@@H](C)NC1(C2CCCCC2)CC1 ZINC000903448415 584771506 /nfs/dbraw/zinc/77/15/06/584771506.db2.gz OXDHGCSOKOKWGO-SNVBAGLBSA-N 0 1 249.358 3.142 20 0 BGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1 ZINC000903590951 584785182 /nfs/dbraw/zinc/78/51/82/584785182.db2.gz DWQSFSHAACCIJB-GXTWGEPZSA-N 0 1 249.354 3.008 20 0 BGADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1 ZINC000903590952 584785154 /nfs/dbraw/zinc/78/51/54/584785154.db2.gz DWQSFSHAACCIJB-JSGCOSHPSA-N 0 1 249.354 3.008 20 0 BGADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1 ZINC000903590953 584784881 /nfs/dbraw/zinc/78/48/81/584784881.db2.gz DWQSFSHAACCIJB-OCCSQVGLSA-N 0 1 249.354 3.008 20 0 BGADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1 ZINC000903590955 584785114 /nfs/dbraw/zinc/78/51/14/584785114.db2.gz DWQSFSHAACCIJB-TZMCWYRMSA-N 0 1 249.354 3.008 20 0 BGADMN CCC(CC)C[N@H+](CC)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903594744 584785348 /nfs/dbraw/zinc/78/53/48/584785348.db2.gz FVEYFKHGEFJRAO-AAEUAGOBSA-N 0 1 243.391 3.244 20 0 BGADMN CCC(CC)C[N@H+](CC)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903594745 584785828 /nfs/dbraw/zinc/78/58/28/584785828.db2.gz FVEYFKHGEFJRAO-DGCLKSJQSA-N 0 1 243.391 3.244 20 0 BGADMN CCC(CC)C[N@H+](CC)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903594747 584785470 /nfs/dbraw/zinc/78/54/70/584785470.db2.gz FVEYFKHGEFJRAO-WCQYABFASA-N 0 1 243.391 3.244 20 0 BGADMN CCC(CC)C[N@H+](CC)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903594756 584785756 /nfs/dbraw/zinc/78/57/56/584785756.db2.gz FVEYFKHGEFJRAO-YPMHNXCESA-N 0 1 243.391 3.244 20 0 BGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000903606386 584784576 /nfs/dbraw/zinc/78/45/76/584784576.db2.gz ADALXLRXBCHEAF-QJPTWQEYSA-N 0 1 243.391 3.100 20 0 BGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000903606387 584784683 /nfs/dbraw/zinc/78/46/83/584784683.db2.gz ADALXLRXBCHEAF-SDDRHHMPSA-N 0 1 243.391 3.100 20 0 BGADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000903606388 584784589 /nfs/dbraw/zinc/78/45/89/584784589.db2.gz ADALXLRXBCHEAF-SRVKXCTJSA-N 0 1 243.391 3.100 20 0 BGADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000903606389 584784326 /nfs/dbraw/zinc/78/43/26/584784326.db2.gz ADALXLRXBCHEAF-TUAOUCFPSA-N 0 1 243.391 3.100 20 0 BGADMN CC(C)=CC[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620808 584787095 /nfs/dbraw/zinc/78/70/95/584787095.db2.gz FGQFBKHSYCSVHG-UHFFFAOYSA-N 0 1 241.375 3.021 20 0 BGADMN CC(C)CC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620952 584787313 /nfs/dbraw/zinc/78/73/13/584787313.db2.gz JYNOOAAAXGTNQH-UHFFFAOYSA-N 0 1 243.391 3.101 20 0 BGADMN CCCCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903621488 584787371 /nfs/dbraw/zinc/78/73/71/584787371.db2.gz XAZKBYCZOAVJOG-UHFFFAOYSA-N 0 1 243.391 3.245 20 0 BGADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1C(C)C ZINC000903697582 584789940 /nfs/dbraw/zinc/78/99/40/584789940.db2.gz LMNWIPDQKSWFAR-UHFFFAOYSA-N 0 1 249.354 3.107 20 0 BGADMN CC(C)c1ccccc1C[N@H+](CC(=O)[O-])C(C)C ZINC000903700561 584790293 /nfs/dbraw/zinc/79/02/93/584790293.db2.gz DLWPIDPPPZSVKG-UHFFFAOYSA-N 0 1 249.354 3.105 20 0 BGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)C ZINC000903702928 584790569 /nfs/dbraw/zinc/79/05/69/584790569.db2.gz LZKRPLNUDDYHGK-AWEZNQCLSA-N 0 1 249.354 3.105 20 0 BGADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)C ZINC000903702929 584790600 /nfs/dbraw/zinc/79/06/00/584790600.db2.gz LZKRPLNUDDYHGK-CQSZACIVSA-N 0 1 249.354 3.105 20 0 BGADMN CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)C(=O)[O-] ZINC000903703116 584790441 /nfs/dbraw/zinc/79/04/41/584790441.db2.gz RWCZEMNMQUIFMG-GFCCVEGCSA-N 0 1 249.354 3.105 20 0 BGADMN CC[N@@H+](Cc1ccccc1C(C)C)[C@@H](C)C(=O)[O-] ZINC000903703117 584790378 /nfs/dbraw/zinc/79/03/78/584790378.db2.gz RWCZEMNMQUIFMG-LBPRGKRZSA-N 0 1 249.354 3.105 20 0 BGADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1C(C)C ZINC000903900711 584820429 /nfs/dbraw/zinc/82/04/29/584820429.db2.gz POHZAWSPFGGMTR-UHFFFAOYSA-N 0 1 249.354 3.107 20 0 BGADMN C[C@@H](c1noc(-c2cccc(F)c2O)n1)C1CC1 ZINC000904028300 584838074 /nfs/dbraw/zinc/83/80/74/584838074.db2.gz ZUESEFWTGZATMF-SSDOTTSWSA-N 0 1 248.257 3.095 20 0 BGADMN C[C@H](c1noc(-c2cccc(F)c2O)n1)C1CC1 ZINC000904028301 584837862 /nfs/dbraw/zinc/83/78/62/584837862.db2.gz ZUESEFWTGZATMF-ZETCQYMHSA-N 0 1 248.257 3.095 20 0 BGADMN C1=CCC[C@@H](c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000904075769 584839636 /nfs/dbraw/zinc/83/96/36/584839636.db2.gz QQAPBJTVNGASPH-NEPJUHHUSA-N 0 1 247.342 3.098 20 0 BGADMN C1=CCC[C@H](c2nc([C@H]3CCCN3)no2)CCC1 ZINC000904075770 584839913 /nfs/dbraw/zinc/83/99/13/584839913.db2.gz QQAPBJTVNGASPH-NWDGAFQWSA-N 0 1 247.342 3.098 20 0 BGADMN C1=CCC[C@H](c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000904075771 584839858 /nfs/dbraw/zinc/83/98/58/584839858.db2.gz QQAPBJTVNGASPH-RYUDHWBXSA-N 0 1 247.342 3.098 20 0 BGADMN C1=CCC[C@@H](c2nc([C@H]3CCCN3)no2)CCC1 ZINC000904075772 584839908 /nfs/dbraw/zinc/83/99/08/584839908.db2.gz QQAPBJTVNGASPH-VXGBXAGGSA-N 0 1 247.342 3.098 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2CCC=CCCC2)n1 ZINC000904077637 584839746 /nfs/dbraw/zinc/83/97/46/584839746.db2.gz ZBAZNXNJCOCMAI-NEPJUHHUSA-N 0 1 249.358 3.329 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@H]2CCC=CCCC2)n1 ZINC000904077638 584839643 /nfs/dbraw/zinc/83/96/43/584839643.db2.gz ZBAZNXNJCOCMAI-NWDGAFQWSA-N 0 1 249.358 3.329 20 0 BGADMN CC(C)[C@H](N)c1noc([C@H]2CCC=CCCC2)n1 ZINC000904077639 584839935 /nfs/dbraw/zinc/83/99/35/584839935.db2.gz ZBAZNXNJCOCMAI-RYUDHWBXSA-N 0 1 249.358 3.329 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@@H]2CCC=CCCC2)n1 ZINC000904077640 584839656 /nfs/dbraw/zinc/83/96/56/584839656.db2.gz ZBAZNXNJCOCMAI-VXGBXAGGSA-N 0 1 249.358 3.329 20 0 BGADMN CN[C@@H](CC(C)C)c1nc(-c2ccccc2)no1 ZINC000904079708 584840192 /nfs/dbraw/zinc/84/01/92/584840192.db2.gz LJKHIRZMFPHPKW-LBPRGKRZSA-N 0 1 245.326 3.043 20 0 BGADMN CN[C@@H](CC(C)C)c1nc(C2CCCC2)no1 ZINC000904085458 584840587 /nfs/dbraw/zinc/84/05/87/584840587.db2.gz HJAZVEIGYKGOQK-NSHDSACASA-N 0 1 237.347 3.034 20 0 BGADMN CCC[C@@H](C)c1noc([C@H](CC(C)C)NC)n1 ZINC000904090094 584840722 /nfs/dbraw/zinc/84/07/22/584840722.db2.gz TWBDJIFYALXCEP-MNOVXSKESA-N 0 1 239.363 3.280 20 0 BGADMN CCC[C@H](C)c1noc([C@H](CC(C)C)NC)n1 ZINC000904090095 584841060 /nfs/dbraw/zinc/84/10/60/584841060.db2.gz TWBDJIFYALXCEP-QWRGUYRKSA-N 0 1 239.363 3.280 20 0 BGADMN CCC(CC)c1noc([C@H](CC(C)C)NC)n1 ZINC000904092644 584842047 /nfs/dbraw/zinc/84/20/47/584842047.db2.gz SGTTTWIYWNHRII-NSHDSACASA-N 0 1 239.363 3.280 20 0 BGADMN CC(C)[C@@H](N)c1noc([C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000904500063 637427108 /nfs/dbraw/zinc/42/71/08/637427108.db2.gz JFYMOPTYSYDUPY-NNYUYHANSA-N 0 1 249.358 3.019 20 0 BGADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000904500064 637427162 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ZINC000905021685 637571669 /nfs/dbraw/zinc/57/16/69/637571669.db2.gz ABJLEDMTKIZBHM-QMMMGPOBSA-N 0 1 236.702 3.007 20 0 BGADMN Cc1cc(-n2[nH]c(C3CC3)cc2=O)ccc1Cl ZINC000905023446 637572096 /nfs/dbraw/zinc/57/20/96/637572096.db2.gz JNVJMKALIRCEOK-UHFFFAOYSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(-n2[nH]c3c(c2=O)CCC3)ccc1Cl ZINC000905026074 637574479 /nfs/dbraw/zinc/57/44/79/637574479.db2.gz UIQATABTLSJUGM-JTQLQIEISA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(N2N=C3CCC[C@@H]3C2=O)ccc1Cl ZINC000905026074 637574470 /nfs/dbraw/zinc/57/44/70/637574470.db2.gz UIQATABTLSJUGM-JTQLQIEISA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(-n2[nH]c3c(c2=O)CCC3)ccc1Cl ZINC000905026079 637573745 /nfs/dbraw/zinc/57/37/45/637573745.db2.gz UIQATABTLSJUGM-SNVBAGLBSA-N 0 1 248.713 3.151 20 0 BGADMN Cc1cc(N2N=C3CCC[C@H]3C2=O)ccc1Cl ZINC000905026079 637573729 /nfs/dbraw/zinc/57/37/29/637573729.db2.gz UIQATABTLSJUGM-SNVBAGLBSA-N 0 1 248.713 3.151 20 0 BGADMN NC1(c2noc([C@@H]3CCC=CCCC3)n2)CCC1 ZINC000905305623 637763721 /nfs/dbraw/zinc/76/37/21/637763721.db2.gz WCLKKWSWYZKHNB-LLVKDONJSA-N 0 1 247.342 3.011 20 0 BGADMN NC1(c2noc([C@H]3CCC=CCCC3)n2)CCC1 ZINC000905305624 637763998 /nfs/dbraw/zinc/76/39/98/637763998.db2.gz WCLKKWSWYZKHNB-NSHDSACASA-N 0 1 247.342 3.011 20 0 BGADMN CC/C=C/CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905368826 637789643 /nfs/dbraw/zinc/78/96/43/637789643.db2.gz CJQDMQIUPQQARG-ISZGNANSSA-N 0 1 247.338 3.100 20 0 BGADMN CC/C=C/CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905368827 637789310 /nfs/dbraw/zinc/78/93/10/637789310.db2.gz CJQDMQIUPQQARG-NNTXTVRGSA-N 0 1 247.338 3.100 20 0 BGADMN CC/C=C\CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905368828 637790152 /nfs/dbraw/zinc/79/01/52/637790152.db2.gz CJQDMQIUPQQARG-WSNITJDQSA-N 0 1 247.338 3.100 20 0 BGADMN CC/C=C\CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905368829 637789366 /nfs/dbraw/zinc/78/93/66/637789366.db2.gz CJQDMQIUPQQARG-ZRUQZJFASA-N 0 1 247.338 3.100 20 0 BGADMN CCCCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905369747 637791374 /nfs/dbraw/zinc/79/13/74/637791374.db2.gz NUEDKWIGTDPVDZ-AWEZNQCLSA-N 0 1 249.354 3.324 20 0 BGADMN CCCCCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905369748 637791918 /nfs/dbraw/zinc/79/19/18/637791918.db2.gz NUEDKWIGTDPVDZ-CQSZACIVSA-N 0 1 249.354 3.324 20 0 BGADMN CC(C)=CCC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905374103 637791616 /nfs/dbraw/zinc/79/16/16/637791616.db2.gz QRXINTFOLNKVPJ-AWEZNQCLSA-N 0 1 247.338 3.100 20 0 BGADMN CC(C)=CCC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905374104 637791956 /nfs/dbraw/zinc/79/19/56/637791956.db2.gz QRXINTFOLNKVPJ-CQSZACIVSA-N 0 1 247.338 3.100 20 0 BGADMN Cc1coc(CNc2nccn2CC(C)C)c1 ZINC000905412766 637800314 /nfs/dbraw/zinc/80/03/14/637800314.db2.gz HFBJVMHQEPOLTO-UHFFFAOYSA-N 0 1 233.315 3.053 20 0 BGADMN c1csc(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000906155739 638065962 /nfs/dbraw/zinc/06/59/62/638065962.db2.gz QYRADFWMGJSXRZ-LLVKDONJSA-N 0 1 245.351 3.020 20 0 BGADMN c1csc(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000906155740 638066074 /nfs/dbraw/zinc/06/60/74/638066074.db2.gz QYRADFWMGJSXRZ-NSHDSACASA-N 0 1 245.351 3.020 20 0 BGADMN c1cc(-c2cnc([C@H]3CCCCN3)nc2)cs1 ZINC000906156320 638067443 /nfs/dbraw/zinc/06/74/43/638067443.db2.gz ZVZDEUFMBKFSOS-GFCCVEGCSA-N 0 1 245.351 3.020 20 0 BGADMN c1cc(-c2cnc([C@@H]3CCCCN3)nc2)cs1 ZINC000906156321 638066132 /nfs/dbraw/zinc/06/61/32/638066132.db2.gz ZVZDEUFMBKFSOS-LBPRGKRZSA-N 0 1 245.351 3.020 20 0 BGADMN Cc1nc(C)c(-c2ccc(CN(C)C)c(F)c2)o1 ZINC000906158658 638066361 /nfs/dbraw/zinc/06/63/61/638066361.db2.gz LGGYTMNEKYEUTJ-UHFFFAOYSA-N 0 1 248.301 3.159 20 0 BGADMN Cc1n[nH]c(-c2ccc(C)nc2)c1C(F)(F)F ZINC000906166824 638081880 /nfs/dbraw/zinc/08/18/80/638081880.db2.gz ATSGSTNDNIJGFA-UHFFFAOYSA-N 0 1 241.216 3.107 20 0 BGADMN Cc1nc(C)c(-c2ccc(F)c(CN(C)C)c2)o1 ZINC000906175136 638088303 /nfs/dbraw/zinc/08/83/03/638088303.db2.gz PJRDWHHLCYAXDG-UHFFFAOYSA-N 0 1 248.301 3.159 20 0 BGADMN Cc1n[nH]c(-c2cnccc2C)c1C(F)(F)F ZINC000906184143 638093567 /nfs/dbraw/zinc/09/35/67/638093567.db2.gz DQYBFTGMTHQAQI-UHFFFAOYSA-N 0 1 241.216 3.107 20 0 BGADMN CC(C)(C)n1cc(-c2ccc3[nH]cnc3c2)cn1 ZINC000906186506 638095819 /nfs/dbraw/zinc/09/58/19/638095819.db2.gz DUOKPARVGYBLFN-UHFFFAOYSA-N 0 1 240.310 3.181 20 0 BGADMN CCCCNCc1nc(C(F)(F)F)cs1 ZINC000906530044 638189242 /nfs/dbraw/zinc/18/92/42/638189242.db2.gz WLPOLCVZBNUSDY-UHFFFAOYSA-N 0 1 238.278 3.052 20 0 BGADMN CCCCNCc1noc2c1CC(C)(C)CC2 ZINC000906537945 638204952 /nfs/dbraw/zinc/20/49/52/638204952.db2.gz QYOBXSPQNVLSHW-UHFFFAOYSA-N 0 1 236.359 3.079 20 0 BGADMN CCCCN(CCCC)CN1CCSC1=O ZINC000914785557 641765634 /nfs/dbraw/zinc/76/56/34/641765634.db2.gz JAYYLOBUVBHRSB-UHFFFAOYSA-N 0 1 244.404 3.015 20 0 BGADMN C[C@@H]1CN(Cc2ccccn2)Cc2ccccc21 ZINC000914787700 641764654 /nfs/dbraw/zinc/76/46/54/641764654.db2.gz HMEWGSNYPKKTOX-CYBMUJFWSA-N 0 1 238.334 3.201 20 0 BGADMN C[C@H]1CN(Cc2ccccn2)Cc2ccccc21 ZINC000914787701 641765308 /nfs/dbraw/zinc/76/53/08/641765308.db2.gz HMEWGSNYPKKTOX-ZDUSSCGKSA-N 0 1 238.334 3.201 20 0 BGADMN CN(C/C=C\Cl)CCCOc1ccccc1 ZINC000915058342 641797554 /nfs/dbraw/zinc/79/75/54/641797554.db2.gz SQKTWMGJSAYGDZ-UITAMQMPSA-N 0 1 239.746 3.140 20 0 BGADMN Cc1ccc2nc(SCCOC3CC3)[nH]c2c1 ZINC000915632211 641843962 /nfs/dbraw/zinc/84/39/62/641843962.db2.gz JOCHUZPUXHLVQX-UHFFFAOYSA-N 0 1 248.351 3.142 20 0 BGADMN C[C@@H]1C[C@H]1CN(C/C=C/Cl)C/C=C/Cl ZINC000915634568 641845453 /nfs/dbraw/zinc/84/54/53/641845453.db2.gz IKRJVWLGBWSUEX-AXICORHSSA-N 0 1 234.170 3.449 20 0 BGADMN C[C@@H]1C[C@@H]1CN(C/C=C/Cl)C/C=C\Cl ZINC000915634569 641844715 /nfs/dbraw/zinc/84/47/15/641844715.db2.gz IKRJVWLGBWSUEX-CPURPOASSA-N 0 1 234.170 3.449 20 0 BGADMN C[C@@H]1C[C@@H]1CN(C/C=C/Cl)C/C=C/Cl ZINC000915634570 641844750 /nfs/dbraw/zinc/84/47/50/641844750.db2.gz IKRJVWLGBWSUEX-GZNVRFAESA-N 0 1 234.170 3.449 20 0 BGADMN C[C@@H]1C[C@@H]1CN(C/C=C\Cl)C/C=C\Cl ZINC000915634571 641845383 /nfs/dbraw/zinc/84/53/83/641845383.db2.gz IKRJVWLGBWSUEX-KKRCDWAOSA-N 0 1 234.170 3.449 20 0 BGADMN Cc1cn[nH]c1CSC1CCCCC1 ZINC000915642901 641848644 /nfs/dbraw/zinc/84/86/44/641848644.db2.gz HCZPAFFHQWXIDD-UHFFFAOYSA-N 0 1 210.346 3.284 20 0 BGADMN Cc1cn[nH]c1CSc1ccc(C)cc1 ZINC000915648223 641846077 /nfs/dbraw/zinc/84/60/77/641846077.db2.gz JUQVGVWOBBDUSV-UHFFFAOYSA-N 0 1 218.325 3.319 20 0 BGADMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000915977966 641890434 /nfs/dbraw/zinc/89/04/34/641890434.db2.gz OXWTYPYJCXWFDF-SECBINFHSA-N 0 1 245.351 3.362 20 0 BGADMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000915977967 641891195 /nfs/dbraw/zinc/89/11/95/641891195.db2.gz OXWTYPYJCXWFDF-VIFPVBQESA-N 0 1 245.351 3.362 20 0 BGADMN COc1ccc(SCc2[nH]ncc2C)cc1 ZINC000916126045 641910325 /nfs/dbraw/zinc/91/03/25/641910325.db2.gz PTUCTXBOBAUHQU-UHFFFAOYSA-N 0 1 234.324 3.019 20 0 BGADMN CCOc1ccc(SCc2[nH]ncc2C)cc1 ZINC000916478919 641939887 /nfs/dbraw/zinc/93/98/87/641939887.db2.gz PPPCFFOXPQWNEG-UHFFFAOYSA-N 0 1 248.351 3.409 20 0 BGADMN CCc1n[nH]c(SCC(C)(C)CC(F)F)n1 ZINC000916515341 641941845 /nfs/dbraw/zinc/94/18/45/641941845.db2.gz KLAGUQKMFVQTDT-UHFFFAOYSA-N 0 1 249.330 3.141 20 0 BGADMN CCc1nnc(SCC(C)(C)CC(F)F)[nH]1 ZINC000916515341 641941842 /nfs/dbraw/zinc/94/18/42/641941842.db2.gz KLAGUQKMFVQTDT-UHFFFAOYSA-N 0 1 249.330 3.141 20 0 BGADMN C1CC1c1nc(SC2CC3(CCC3)C2)n[nH]1 ZINC000916538337 641943817 /nfs/dbraw/zinc/94/38/17/641943817.db2.gz BHGFCCHHFZOAOJ-UHFFFAOYSA-N 0 1 235.356 3.107 20 0 BGADMN C1CC1c1n[nH]c(SC2CC3(CCC3)C2)n1 ZINC000916538337 641943812 /nfs/dbraw/zinc/94/38/12/641943812.db2.gz BHGFCCHHFZOAOJ-UHFFFAOYSA-N 0 1 235.356 3.107 20 0 BGADMN CC(F)(F)CCCSc1n[nH]c(C2CC2)n1 ZINC000916538927 641943161 /nfs/dbraw/zinc/94/31/61/641943161.db2.gz WIAMMEAFQYNJRX-UHFFFAOYSA-N 0 1 247.314 3.210 20 0 BGADMN CC(F)(F)CCCSc1nc(C2CC2)n[nH]1 ZINC000916538927 641943159 /nfs/dbraw/zinc/94/31/59/641943159.db2.gz WIAMMEAFQYNJRX-UHFFFAOYSA-N 0 1 247.314 3.210 20 0 BGADMN C(C[C@@H]1C[C@H]1C1CC1)Sc1n[nH]c(C2CC2)n1 ZINC000916538958 641944326 /nfs/dbraw/zinc/94/43/26/641944326.db2.gz XCHSXGAGNLBDTG-MNOVXSKESA-N 0 1 249.383 3.210 20 0 BGADMN C(C[C@@H]1C[C@H]1C1CC1)Sc1nc(C2CC2)n[nH]1 ZINC000916538958 641944320 /nfs/dbraw/zinc/94/43/20/641944320.db2.gz XCHSXGAGNLBDTG-MNOVXSKESA-N 0 1 249.383 3.210 20 0 BGADMN COc1cccc(SCc2[nH]ncc2C)c1 ZINC000916575666 711873057 /nfs/dbraw/zinc/87/30/57/711873057.db2.gz UPTOLCOPJQJWCL-UHFFFAOYSA-N 0 1 234.324 3.019 20 0 BGADMN CC(C)=CCOC(=O)c1ccc(O)c(Cl)c1 ZINC000916608432 641957709 /nfs/dbraw/zinc/95/77/09/641957709.db2.gz QECVPOUWTQBALQ-UHFFFAOYSA-N 0 1 240.686 3.169 20 0 BGADMN Cc1cn[nH]c1CSc1ccccc1C ZINC000916754543 641975557 /nfs/dbraw/zinc/97/55/57/641975557.db2.gz SSEHYQWRPCMIGY-UHFFFAOYSA-N 0 1 218.325 3.319 20 0 BGADMN COc1ccccc1SCc1[nH]ncc1C ZINC000916778845 641977216 /nfs/dbraw/zinc/97/72/16/641977216.db2.gz PYVHSMKFMILHLA-UHFFFAOYSA-N 0 1 234.324 3.019 20 0 BGADMN Cc1cn[nH]c1CSc1cccc(C)c1 ZINC000916787877 641977505 /nfs/dbraw/zinc/97/75/05/641977505.db2.gz SGARFDVJEPRDFB-UHFFFAOYSA-N 0 1 218.325 3.319 20 0 BGADMN C[C@H](c1nc(C2CC2)no1)N1CCCCCCC1 ZINC000916984425 641989443 /nfs/dbraw/zinc/98/94/43/641989443.db2.gz GDDXSMXKMAICEV-LLVKDONJSA-N 0 1 249.358 3.274 20 0 BGADMN C[C@@H](c1nc(C2CC2)no1)N1CCCCCCC1 ZINC000916984426 641989716 /nfs/dbraw/zinc/98/97/16/641989716.db2.gz GDDXSMXKMAICEV-NSHDSACASA-N 0 1 249.358 3.274 20 0 BGADMN Cc1cccc(CN(C)C/C=C\Cl)c1 ZINC000917073590 642003988 /nfs/dbraw/zinc/00/39/88/642003988.db2.gz AMCNYHXIYGFPBS-DAXSKMNVSA-N 0 1 209.720 3.179 20 0 BGADMN Cc1cccc(C[N@@H+](C)C/C=C\Cl)c1 ZINC000917073590 642003982 /nfs/dbraw/zinc/00/39/82/642003982.db2.gz AMCNYHXIYGFPBS-DAXSKMNVSA-N 0 1 209.720 3.179 20 0 BGADMN Cc1cccc(CN(C)C/C=C/Cl)c1 ZINC000917073591 642004836 /nfs/dbraw/zinc/00/48/36/642004836.db2.gz AMCNYHXIYGFPBS-QPJJXVBHSA-N 0 1 209.720 3.179 20 0 BGADMN Cc1cccc(C[N@@H+](C)C/C=C/Cl)c1 ZINC000917073591 642004835 /nfs/dbraw/zinc/00/48/35/642004835.db2.gz AMCNYHXIYGFPBS-QPJJXVBHSA-N 0 1 209.720 3.179 20 0 BGADMN Cc1cn[nH]c1CSc1nc(C)c(C)s1 ZINC000917103193 642009529 /nfs/dbraw/zinc/00/95/29/642009529.db2.gz MUWIJJJAGMDXQS-UHFFFAOYSA-N 0 1 239.369 3.084 20 0 BGADMN c1cc(CN2CCC(C3CCCCC3)CC2)on1 ZINC000917131663 642019813 /nfs/dbraw/zinc/01/98/13/642019813.db2.gz XMFMRCIWWGZUOZ-UHFFFAOYSA-N 0 1 248.370 3.467 20 0 BGADMN COCc1ccc(SCc2[nH]ncc2C)cc1 ZINC000917157794 642021252 /nfs/dbraw/zinc/02/12/52/642021252.db2.gz PHBHPJQHHDOPFX-UHFFFAOYSA-N 0 1 248.351 3.157 20 0 BGADMN CCC(N)=NOCc1ccc(C(C)(C)C)cc1 ZINC000917418182 642057253 /nfs/dbraw/zinc/05/72/53/642057253.db2.gz CJMALALDWFCMHQ-UHFFFAOYSA-N 0 1 234.343 3.393 20 0 BGADMN CCC(N)=NOCc1c(Cl)cccc1Cl ZINC000917418225 642057671 /nfs/dbraw/zinc/05/76/71/642057671.db2.gz JMDMHJNXQGPCBH-UHFFFAOYSA-N 0 1 247.125 3.402 20 0 BGADMN Cc1cn[nH]c1CSc1cc(C)cc(C)n1 ZINC000917527310 642080539 /nfs/dbraw/zinc/08/05/39/642080539.db2.gz GENFBLTWPVSBQK-UHFFFAOYSA-N 0 1 233.340 3.022 20 0 BGADMN Cc1cn[nH]c1CSC(C)(C)C(C)C ZINC000917561648 642082561 /nfs/dbraw/zinc/08/25/61/642082561.db2.gz KTUZDTYCHJYWQZ-UHFFFAOYSA-N 0 1 212.362 3.386 20 0 BGADMN Cc1cn[nH]c1CSCCSC(C)(C)C ZINC000917583410 642085889 /nfs/dbraw/zinc/08/58/89/642085889.db2.gz NKWOHUIOINNKHL-UHFFFAOYSA-N 0 1 244.429 3.483 20 0 BGADMN C/C(=C/Cl)CSCc1[nH]ncc1C ZINC000917663155 642103838 /nfs/dbraw/zinc/10/38/38/642103838.db2.gz UBIGVZPRUHSWEY-CLTKARDFSA-N 0 1 216.737 3.094 20 0 BGADMN C/C(=C\Cl)CSCc1[nH]ncc1C ZINC000917663162 642104459 /nfs/dbraw/zinc/10/44/59/642104459.db2.gz UBIGVZPRUHSWEY-XVNBXDOJSA-N 0 1 216.737 3.094 20 0 BGADMN Cc1ccc(SCc2[nH]ncc2C)s1 ZINC000917828971 642132125 /nfs/dbraw/zinc/13/21/25/642132125.db2.gz JWXGYFBFLCUADM-UHFFFAOYSA-N 0 1 224.354 3.380 20 0 BGADMN Cc1cn[nH]c1CSc1ncc(C)cc1C ZINC000918080672 642165937 /nfs/dbraw/zinc/16/59/37/642165937.db2.gz BFVSJTFKCWXKDN-UHFFFAOYSA-N 0 1 233.340 3.022 20 0 BGADMN CC/C=C\CCOC(=O)c1cccc2[nH]ncc21 ZINC000918508510 642213011 /nfs/dbraw/zinc/21/30/11/642213011.db2.gz ZHSYFNIRFKXUQZ-ARJAWSKDSA-N 0 1 244.294 3.076 20 0 BGADMN CC/C=C/CCOC(=O)c1cccc2[nH]ncc21 ZINC000918508511 642212492 /nfs/dbraw/zinc/21/24/92/642212492.db2.gz ZHSYFNIRFKXUQZ-ONEGZZNKSA-N 0 1 244.294 3.076 20 0 BGADMN CCc1csc(SCc2[nH]ncc2C)n1 ZINC000918543128 642222023 /nfs/dbraw/zinc/22/20/23/642222023.db2.gz BJMPILCLTFDZIY-UHFFFAOYSA-N 0 1 239.369 3.029 20 0 BGADMN Cc1ccc(OCCN(C)Cc2ccoc2)cc1 ZINC000918739191 642260134 /nfs/dbraw/zinc/26/01/34/642260134.db2.gz XOWMTHSQOIFSEF-UHFFFAOYSA-N 0 1 245.322 3.099 20 0 BGADMN Cc1occc1CN(C)C[C@@H]1CC1(Cl)Cl ZINC000919807067 642393228 /nfs/dbraw/zinc/39/32/28/642393228.db2.gz RGOHRROUTDXGHG-JTQLQIEISA-N 0 1 248.153 3.214 20 0 BGADMN Cc1occc1CN(C)C[C@H]1CC1(Cl)Cl ZINC000919807068 642395025 /nfs/dbraw/zinc/39/50/25/642395025.db2.gz RGOHRROUTDXGHG-SNVBAGLBSA-N 0 1 248.153 3.214 20 0 BGADMN Cc1ccc([C@H](C)NCc2cnc(C)nc2)s1 ZINC000920181578 642446458 /nfs/dbraw/zinc/44/64/58/642446458.db2.gz YTYZPTLYZHJICY-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1ccc([C@@H](C)NCc2cnc(C)nc2)s1 ZINC000920181579 642445747 /nfs/dbraw/zinc/44/57/47/642445747.db2.gz YTYZPTLYZHJICY-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN CCC/C(C)=C\C(=O)Nc1nc2ccccc2[nH]1 ZINC000920213101 642451520 /nfs/dbraw/zinc/45/15/20/642451520.db2.gz KYIGVYDDPGWZKR-KTKRTIGZSA-N 0 1 243.310 3.248 20 0 BGADMN CCC/C(C)=C/C(=O)Nc1nc2ccccc2[nH]1 ZINC000920213102 642451017 /nfs/dbraw/zinc/45/10/17/642451017.db2.gz KYIGVYDDPGWZKR-MDZDMXLPSA-N 0 1 243.310 3.248 20 0 BGADMN CC[N@@H+](Cn1cc(Cl)cn1)C1CCCCC1 ZINC000921185536 642583242 /nfs/dbraw/zinc/58/32/42/642583242.db2.gz UVFAOTUMXDLJFH-UHFFFAOYSA-N 0 1 241.766 3.149 20 0 BGADMN CCCC[N@@H+](Cn1cc(Cl)cn1)[C@H](C)CC ZINC000921185918 642582671 /nfs/dbraw/zinc/58/26/71/642582671.db2.gz CAKIHCOMWGDFCK-LLVKDONJSA-N 0 1 243.782 3.395 20 0 BGADMN CCCC[N@@H+](Cn1cc(Cl)cn1)[C@@H](C)CC ZINC000921185920 642582605 /nfs/dbraw/zinc/58/26/05/642582605.db2.gz CAKIHCOMWGDFCK-NSHDSACASA-N 0 1 243.782 3.395 20 0 BGADMN CCC(CC)C[N@@H+](CC)Cn1cc(Cl)cn1 ZINC000921186180 642583947 /nfs/dbraw/zinc/58/39/47/642583947.db2.gz KBKZHVHTAFDYDM-UHFFFAOYSA-N 0 1 243.782 3.252 20 0 BGADMN CCC(CC)[N@@H+](Cn1cc(Cl)cn1)C1CC1 ZINC000921186853 642582914 /nfs/dbraw/zinc/58/29/14/642582914.db2.gz QLBIKTJKQQWJOI-UHFFFAOYSA-N 0 1 241.766 3.147 20 0 BGADMN CC(C)(C)c1coc(CNC23CCC(CC2)C3)n1 ZINC000921988205 643838608 /nfs/dbraw/zinc/83/86/08/643838608.db2.gz ACFDDTCUELHVOQ-UHFFFAOYSA-N 0 1 248.370 3.394 20 0 BGADMN CC(C)=CCNCc1cc(C)cnc1Cl ZINC000922046002 643853322 /nfs/dbraw/zinc/85/33/22/643853322.db2.gz DSFJVRRLHIRFGD-UHFFFAOYSA-N 0 1 224.735 3.099 20 0 BGADMN CC(C)(C)c1coc(CN[C@H]2CC[C@@H]2C2CC2)n1 ZINC000922095403 643861470 /nfs/dbraw/zinc/86/14/70/643861470.db2.gz XGZWYEMWQZQDMV-NEPJUHHUSA-N 0 1 248.370 3.250 20 0 BGADMN CC(C)(C)c1coc(CN[C@@H]2CC[C@H]2C2CC2)n1 ZINC000922095407 643861452 /nfs/dbraw/zinc/86/14/52/643861452.db2.gz XGZWYEMWQZQDMV-NWDGAFQWSA-N 0 1 248.370 3.250 20 0 BGADMN CC(C)(C)c1coc(CN[C@H]2CC[C@H]2C2CC2)n1 ZINC000922095410 643861515 /nfs/dbraw/zinc/86/15/15/643861515.db2.gz XGZWYEMWQZQDMV-RYUDHWBXSA-N 0 1 248.370 3.250 20 0 BGADMN CC(C)(C)c1coc(CN[C@@H]2CC[C@@H]2C2CC2)n1 ZINC000922095412 643861790 /nfs/dbraw/zinc/86/17/90/643861790.db2.gz XGZWYEMWQZQDMV-VXGBXAGGSA-N 0 1 248.370 3.250 20 0 BGADMN CC(C)(C)c1coc(CN[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000922107696 643862813 /nfs/dbraw/zinc/86/28/13/643862813.db2.gz BXKHRPXOQMIKOL-TUAOUCFPSA-N 0 1 248.370 3.250 20 0 BGADMN CS[C@@H]1CCC[C@H](N[C@H]2CCCC2(F)F)C1 ZINC000922128100 643869307 /nfs/dbraw/zinc/86/93/07/643869307.db2.gz DQZGALCVSWGLHN-AXFHLTTASA-N 0 1 249.370 3.438 20 0 BGADMN CS[C@@H]1CCC[C@@H](N[C@@H]2CCCC2(F)F)C1 ZINC000922128101 643866983 /nfs/dbraw/zinc/86/69/83/643866983.db2.gz DQZGALCVSWGLHN-GMTAPVOTSA-N 0 1 249.370 3.438 20 0 BGADMN CS[C@@H]1CCC[C@H](N[C@@H]2CCCC2(F)F)C1 ZINC000922128102 643867410 /nfs/dbraw/zinc/86/74/10/643867410.db2.gz DQZGALCVSWGLHN-HBNTYKKESA-N 0 1 249.370 3.438 20 0 BGADMN CS[C@@H]1CCC[C@@H](N[C@H]2CCCC2(F)F)C1 ZINC000922128103 643868006 /nfs/dbraw/zinc/86/80/06/643868006.db2.gz DQZGALCVSWGLHN-MXWKQRLJSA-N 0 1 249.370 3.438 20 0 BGADMN CC/C=C\CNCc1cc(C)cnc1Cl ZINC000922156337 643876932 /nfs/dbraw/zinc/87/69/32/643876932.db2.gz MVSJNFIFEBEPGS-PLNGDYQASA-N 0 1 224.735 3.099 20 0 BGADMN CC/C=C/CNCc1cc(C)cnc1Cl ZINC000922156338 643876557 /nfs/dbraw/zinc/87/65/57/643876557.db2.gz MVSJNFIFEBEPGS-SNAWJCMRSA-N 0 1 224.735 3.099 20 0 BGADMN CC(C)(C)c1coc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000922180482 643895154 /nfs/dbraw/zinc/89/51/54/643895154.db2.gz BXKHRPXOQMIKOL-WOPDTQHZSA-N 0 1 248.370 3.250 20 0 BGADMN Cc1cnc(Cl)c(CNCC2=CCCC2)c1 ZINC000922260273 643926122 /nfs/dbraw/zinc/92/61/22/643926122.db2.gz LACDGBDNPKLWBZ-UHFFFAOYSA-N 0 1 236.746 3.243 20 0 BGADMN CC(C)CCOC(=O)c1ccc(O)c(Cl)c1 ZINC000922495372 644003378 /nfs/dbraw/zinc/00/33/78/644003378.db2.gz GQSPMDWDNMIBBP-UHFFFAOYSA-N 0 1 242.702 3.249 20 0 BGADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1csc(C2CC2)n1 ZINC000922512823 644011039 /nfs/dbraw/zinc/01/10/39/644011039.db2.gz XNQAIIMGUZBZIR-WRSRJMLGSA-N 0 1 248.395 3.155 20 0 BGADMN Cc1occc1CN[C@H](c1ccccn1)C1CC1 ZINC000922584596 644037188 /nfs/dbraw/zinc/03/71/88/644037188.db2.gz LPNPJXWZMGZNRH-HNNXBMFYSA-N 0 1 242.322 3.224 20 0 BGADMN Cc1occc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922584597 644038119 /nfs/dbraw/zinc/03/81/19/644038119.db2.gz LPNPJXWZMGZNRH-OAHLLOKOSA-N 0 1 242.322 3.224 20 0 BGADMN c1cc(CN[C@H](c2ccccn2)C2CC2)cs1 ZINC000922585144 644036544 /nfs/dbraw/zinc/03/65/44/644036544.db2.gz IQVYVGZMODQDST-AWEZNQCLSA-N 0 1 244.363 3.384 20 0 BGADMN c1cc(CN[C@@H](c2ccccn2)C2CC2)cs1 ZINC000922585145 644035712 /nfs/dbraw/zinc/03/57/12/644035712.db2.gz IQVYVGZMODQDST-CQSZACIVSA-N 0 1 244.363 3.384 20 0 BGADMN c1csc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922585146 644035463 /nfs/dbraw/zinc/03/54/63/644035463.db2.gz IRQNGYUEQFVKBV-AWEZNQCLSA-N 0 1 244.363 3.384 20 0 BGADMN c1csc(CN[C@@H](c2ccccn2)C2CC2)c1 ZINC000922585147 644036244 /nfs/dbraw/zinc/03/62/44/644036244.db2.gz IRQNGYUEQFVKBV-CQSZACIVSA-N 0 1 244.363 3.384 20 0 BGADMN Cc1[nH]nc(CNc2ccc(C(C)C)nc2)c1C ZINC000922586350 644036303 /nfs/dbraw/zinc/03/63/03/644036303.db2.gz WLXQWONTWLJYMN-UHFFFAOYSA-N 0 1 244.342 3.157 20 0 BGADMN CC(C)n1cncc1CNC(C)(C)/C=C/Cl ZINC000922643713 644049070 /nfs/dbraw/zinc/04/90/70/644049070.db2.gz AVKVYHFPCVPCAG-AATRIKPKSA-N 0 1 241.766 3.085 20 0 BGADMN CC(C)n1cncc1CNC(C)(C)/C=C\Cl ZINC000922643714 644049558 /nfs/dbraw/zinc/04/95/58/644049558.db2.gz AVKVYHFPCVPCAG-WAYWQWQTSA-N 0 1 241.766 3.085 20 0 BGADMN Cc1occc1CNC(C)(C)/C=C/Cl ZINC000922643742 644049293 /nfs/dbraw/zinc/04/92/93/644049293.db2.gz BQJHVHGCQJLIGY-AATRIKPKSA-N 0 1 213.708 3.209 20 0 BGADMN Cc1occc1CNC(C)(C)/C=C\Cl ZINC000922643743 644049891 /nfs/dbraw/zinc/04/98/91/644049891.db2.gz BQJHVHGCQJLIGY-WAYWQWQTSA-N 0 1 213.708 3.209 20 0 BGADMN CC(C)(/C=C\Cl)NCc1cccc(F)c1N ZINC000922643769 644049533 /nfs/dbraw/zinc/04/95/33/644049533.db2.gz CFCZPTJLFFHTNP-SREVYHEPSA-N 0 1 242.725 3.029 20 0 BGADMN CC(C)(/C=C/Cl)NCc1cccc(F)c1N ZINC000922643770 644049373 /nfs/dbraw/zinc/04/93/73/644049373.db2.gz CFCZPTJLFFHTNP-VOTSOKGWSA-N 0 1 242.725 3.029 20 0 BGADMN Cc1cc(CNC(C)(C)/C=C\Cl)sn1 ZINC000922644640 644050167 /nfs/dbraw/zinc/05/01/67/644050167.db2.gz KNEBHOLKRQZIRH-PLNGDYQASA-N 0 1 230.764 3.072 20 0 BGADMN Cc1cc(CNC(C)(C)/C=C/Cl)sn1 ZINC000922644641 644049083 /nfs/dbraw/zinc/04/90/83/644049083.db2.gz KNEBHOLKRQZIRH-SNAWJCMRSA-N 0 1 230.764 3.072 20 0 BGADMN CC(C)(/C=C/Cl)NCc1ccc(Cl)cn1 ZINC000922644652 644049242 /nfs/dbraw/zinc/04/92/42/644049242.db2.gz KTFOEEBLDJZTNW-AATRIKPKSA-N 0 1 245.153 3.356 20 0 BGADMN CC(C)(/C=C\Cl)NCc1ccc(Cl)cn1 ZINC000922644653 644050057 /nfs/dbraw/zinc/05/00/57/644050057.db2.gz KTFOEEBLDJZTNW-WAYWQWQTSA-N 0 1 245.153 3.356 20 0 BGADMN Cc1coc(CNC(C)(C)/C=C\Cl)c1 ZINC000922646113 644050919 /nfs/dbraw/zinc/05/09/19/644050919.db2.gz YYXFUIDPFLGFFC-PLNGDYQASA-N 0 1 213.708 3.209 20 0 BGADMN Cc1coc(CNC(C)(C)/C=C/Cl)c1 ZINC000922646114 644051215 /nfs/dbraw/zinc/05/12/15/644051215.db2.gz YYXFUIDPFLGFFC-SNAWJCMRSA-N 0 1 213.708 3.209 20 0 BGADMN CCc1ncc(CNC(C)(C)/C=C/Cl)s1 ZINC000922647820 644053373 /nfs/dbraw/zinc/05/33/73/644053373.db2.gz CNNFHMMYDUBLQG-AATRIKPKSA-N 0 1 244.791 3.326 20 0 BGADMN CCc1ncc(CNC(C)(C)/C=C\Cl)s1 ZINC000922647821 644052621 /nfs/dbraw/zinc/05/26/21/644052621.db2.gz CNNFHMMYDUBLQG-WAYWQWQTSA-N 0 1 244.791 3.326 20 0 BGADMN Cc1ccoc1CNC(C)(C)/C=C/Cl ZINC000922648308 644052458 /nfs/dbraw/zinc/05/24/58/644052458.db2.gz HOOTWVCGGMJGEQ-AATRIKPKSA-N 0 1 213.708 3.209 20 0 BGADMN Cc1ccoc1CNC(C)(C)/C=C\Cl ZINC000922648309 644053089 /nfs/dbraw/zinc/05/30/89/644053089.db2.gz HOOTWVCGGMJGEQ-WAYWQWQTSA-N 0 1 213.708 3.209 20 0 BGADMN Cc1ncc(CNC(C)(C)/C=C\Cl)s1 ZINC000922648437 644053106 /nfs/dbraw/zinc/05/31/06/644053106.db2.gz JKQBRMJQPVMOEM-PLNGDYQASA-N 0 1 230.764 3.072 20 0 BGADMN Cc1ncc(CNC(C)(C)/C=C/Cl)s1 ZINC000922648438 644052783 /nfs/dbraw/zinc/05/27/83/644052783.db2.gz JKQBRMJQPVMOEM-SNAWJCMRSA-N 0 1 230.764 3.072 20 0 BGADMN Cc1ccc(CNC(C)(C)/C=C\Cl)nc1 ZINC000922648453 644053155 /nfs/dbraw/zinc/05/31/55/644053155.db2.gz KBLMVHFXBOJDHB-SREVYHEPSA-N 0 1 224.735 3.011 20 0 BGADMN Cc1ccc(CNC(C)(C)/C=C/Cl)nc1 ZINC000922648454 644052959 /nfs/dbraw/zinc/05/29/59/644052959.db2.gz KBLMVHFXBOJDHB-VOTSOKGWSA-N 0 1 224.735 3.011 20 0 BGADMN CC(C)n1nccc1CNC(C)(C)/C=C\Cl ZINC000922648707 644052366 /nfs/dbraw/zinc/05/23/66/644052366.db2.gz PKJCAPATYJXBAU-SREVYHEPSA-N 0 1 241.766 3.085 20 0 BGADMN CC(C)n1nccc1CNC(C)(C)/C=C/Cl ZINC000922648709 644052765 /nfs/dbraw/zinc/05/27/65/644052765.db2.gz PKJCAPATYJXBAU-VOTSOKGWSA-N 0 1 241.766 3.085 20 0 BGADMN Cc1nc(F)ccc1CNC(C)(C)/C=C\Cl ZINC000922649048 644053186 /nfs/dbraw/zinc/05/31/86/644053186.db2.gz RKSUBXIZJVZPAK-SREVYHEPSA-N 0 1 242.725 3.150 20 0 BGADMN Cc1nc(F)ccc1CNC(C)(C)/C=C/Cl ZINC000922649049 644052262 /nfs/dbraw/zinc/05/22/62/644052262.db2.gz RKSUBXIZJVZPAK-VOTSOKGWSA-N 0 1 242.725 3.150 20 0 BGADMN Cc1ccc(CNC(C)(C)/C=C\Cl)cn1 ZINC000922649074 644053229 /nfs/dbraw/zinc/05/32/29/644053229.db2.gz RTUWYMBCNWNNFH-SREVYHEPSA-N 0 1 224.735 3.011 20 0 BGADMN Cc1ccc(CNC(C)(C)/C=C/Cl)cn1 ZINC000922649076 644055009 /nfs/dbraw/zinc/05/50/09/644055009.db2.gz RTUWYMBCNWNNFH-VOTSOKGWSA-N 0 1 224.735 3.011 20 0 BGADMN COCc1ccc(CNC(C)(C)/C=C\Cl)o1 ZINC000922649387 644053475 /nfs/dbraw/zinc/05/34/75/644053475.db2.gz UYVRXRWHWCVMON-SREVYHEPSA-N 0 1 243.734 3.047 20 0 BGADMN COCc1ccc(CNC(C)(C)/C=C/Cl)o1 ZINC000922649388 644052405 /nfs/dbraw/zinc/05/24/05/644052405.db2.gz UYVRXRWHWCVMON-VOTSOKGWSA-N 0 1 243.734 3.047 20 0 BGADMN Cc1ncsc1CNC(C)(C)/C=C\Cl ZINC000922649403 644055059 /nfs/dbraw/zinc/05/50/59/644055059.db2.gz VGOLIZKBEKEORE-PLNGDYQASA-N 0 1 230.764 3.072 20 0 BGADMN Cc1ncsc1CNC(C)(C)/C=C/Cl ZINC000922649404 644055130 /nfs/dbraw/zinc/05/51/30/644055130.db2.gz VGOLIZKBEKEORE-SNAWJCMRSA-N 0 1 230.764 3.072 20 0 BGADMN CC(C)n1cc(CNC(C)(C)/C=C/Cl)cn1 ZINC000922649420 644054089 /nfs/dbraw/zinc/05/40/89/644054089.db2.gz VSPVPYBHCRAGJX-AATRIKPKSA-N 0 1 241.766 3.085 20 0 BGADMN CC(C)n1cc(CNC(C)(C)/C=C\Cl)cn1 ZINC000922649421 644054557 /nfs/dbraw/zinc/05/45/57/644054557.db2.gz VSPVPYBHCRAGJX-WAYWQWQTSA-N 0 1 241.766 3.085 20 0 BGADMN CC(C)(/C=C/Cl)NCc1ccc(Cl)nc1 ZINC000922649528 644049673 /nfs/dbraw/zinc/04/96/73/644049673.db2.gz XJSNNLPHSQYGNE-AATRIKPKSA-N 0 1 245.153 3.356 20 0 BGADMN CC(C)(/C=C\Cl)NCc1ccc(Cl)nc1 ZINC000922649529 644048663 /nfs/dbraw/zinc/04/86/63/644048663.db2.gz XJSNNLPHSQYGNE-WAYWQWQTSA-N 0 1 245.153 3.356 20 0 BGADMN COc1ccccc1CNC(C)(C)/C=C/Cl ZINC000922649632 644057289 /nfs/dbraw/zinc/05/72/89/644057289.db2.gz HGZBWBDHFGOQRT-CMDGGOBGSA-N 0 1 239.746 3.316 20 0 BGADMN COc1ccccc1CNC(C)(C)/C=C\Cl ZINC000922649633 644058096 /nfs/dbraw/zinc/05/80/96/644058096.db2.gz HGZBWBDHFGOQRT-HJWRWDBZSA-N 0 1 239.746 3.316 20 0 BGADMN COc1ccsc1CNC(C)(C)/C=C/Cl ZINC000922649848 644058253 /nfs/dbraw/zinc/05/82/53/644058253.db2.gz ZOPUBJRGVPHMIK-AATRIKPKSA-N 0 1 245.775 3.377 20 0 BGADMN COc1ccsc1CNC(C)(C)/C=C\Cl ZINC000922649849 644057759 /nfs/dbraw/zinc/05/77/59/644057759.db2.gz ZOPUBJRGVPHMIK-WAYWQWQTSA-N 0 1 245.775 3.377 20 0 BGADMN Cc1ccc(CNC(C)(C)/C=C\Cl)o1 ZINC000922650728 644058336 /nfs/dbraw/zinc/05/83/36/644058336.db2.gz SAGUOGCLWXGFCJ-SREVYHEPSA-N 0 1 213.708 3.209 20 0 BGADMN Cc1ccc(CNC(C)(C)/C=C/Cl)o1 ZINC000922650729 644057587 /nfs/dbraw/zinc/05/75/87/644057587.db2.gz SAGUOGCLWXGFCJ-VOTSOKGWSA-N 0 1 213.708 3.209 20 0 BGADMN CC(C)(/C=C\Cl)NCc1cccc(O)c1 ZINC000922651115 644057850 /nfs/dbraw/zinc/05/78/50/644057850.db2.gz UORGAPWBAIJKGE-SREVYHEPSA-N 0 1 225.719 3.013 20 0 BGADMN CC(C)(/C=C/Cl)NCc1cccc(O)c1 ZINC000922651116 644058218 /nfs/dbraw/zinc/05/82/18/644058218.db2.gz UORGAPWBAIJKGE-VOTSOKGWSA-N 0 1 225.719 3.013 20 0 BGADMN Cc1cc(F)ccc1[C@@H](C)NCc1ccccn1 ZINC000922665955 711975242 /nfs/dbraw/zinc/97/52/42/711975242.db2.gz USLFPZLTXINOKN-GFCCVEGCSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1nocc1CN[C@H](C)c1ccc(F)cc1C ZINC000922666058 711975049 /nfs/dbraw/zinc/97/50/49/711975049.db2.gz CWAVMBJQNKCKHY-LLVKDONJSA-N 0 1 248.301 3.281 20 0 BGADMN Cc1c[nH]nc1CN[C@H](C)c1ccc(F)cc1C ZINC000922667717 644063871 /nfs/dbraw/zinc/06/38/71/644063871.db2.gz RYROKTOXUPCYEO-LLVKDONJSA-N 0 1 247.317 3.016 20 0 BGADMN Cc1nocc1CN[C@@H](C)c1ccc(F)cc1C ZINC000922668373 644063557 /nfs/dbraw/zinc/06/35/57/644063557.db2.gz CWAVMBJQNKCKHY-NSHDSACASA-N 0 1 248.301 3.281 20 0 BGADMN Cc1c[nH]nc1CN[C@@H](C)c1ccc(F)cc1C ZINC000922670277 644064263 /nfs/dbraw/zinc/06/42/63/644064263.db2.gz RYROKTOXUPCYEO-NSHDSACASA-N 0 1 247.317 3.016 20 0 BGADMN Cc1cc(F)ccc1[C@H](C)NCc1ccccn1 ZINC000922671741 644063915 /nfs/dbraw/zinc/06/39/15/644063915.db2.gz USLFPZLTXINOKN-LBPRGKRZSA-N 0 1 244.313 3.380 20 0 BGADMN Cc1cn[nH]c1CNc1ccc(C(F)F)cc1 ZINC000922901264 644186411 /nfs/dbraw/zinc/18/64/11/644186411.db2.gz ZWIHYDJPXFLYNJ-UHFFFAOYSA-N 0 1 237.253 3.268 20 0 BGADMN CCc1onc(C)c1CNCc1ccccc1C ZINC000922986579 644216968 /nfs/dbraw/zinc/21/69/68/644216968.db2.gz CWDJNWSKJWMAJG-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN CCc1onc(C)c1CNCc1cccc(C)c1 ZINC000922986861 644216840 /nfs/dbraw/zinc/21/68/40/644216840.db2.gz FNVOPAYKCGATJK-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN CCc1onc(C)c1CNCc1ccc(C)cc1 ZINC000922988692 644217226 /nfs/dbraw/zinc/21/72/26/644217226.db2.gz SZMHJVRMAQGHKZ-UHFFFAOYSA-N 0 1 244.338 3.144 20 0 BGADMN C[C@]1(NCc2ccoc2)CCOc2ccccc21 ZINC000923026265 644237383 /nfs/dbraw/zinc/23/73/83/644237383.db2.gz UHNSNWSRKACFSZ-HNNXBMFYSA-N 0 1 243.306 3.067 20 0 BGADMN C[C@@]1(NCc2ccoc2)CCOc2ccccc21 ZINC000923026267 644238136 /nfs/dbraw/zinc/23/81/36/644238136.db2.gz UHNSNWSRKACFSZ-OAHLLOKOSA-N 0 1 243.306 3.067 20 0 BGADMN CCc1ccc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC000923028707 644238220 /nfs/dbraw/zinc/23/82/20/644238220.db2.gz BFADMEJDLFZHTD-AWEZNQCLSA-N 0 1 249.354 3.033 20 0 BGADMN CCc1ccc(CNC2([C@H]3CCCCO3)CC2)o1 ZINC000923028708 644237678 /nfs/dbraw/zinc/23/76/78/644237678.db2.gz BFADMEJDLFZHTD-CQSZACIVSA-N 0 1 249.354 3.033 20 0 BGADMN Cc1cccc([C@H](NC2CC2)c2ccccn2)c1 ZINC000924528443 646047370 /nfs/dbraw/zinc/04/73/70/646047370.db2.gz GZCNZHLBVHKSBL-INIZCTEOSA-N 0 1 238.334 3.231 20 0 BGADMN Cc1cccc([C@@H](NC2CC2)c2ccccn2)c1 ZINC000924528444 646047726 /nfs/dbraw/zinc/04/77/26/646047726.db2.gz GZCNZHLBVHKSBL-MRXNPFEDSA-N 0 1 238.334 3.231 20 0 BGADMN Cc1nonc1[C@@H](C)N[C@H](C)CCCC(C)C ZINC000924528492 646047783 /nfs/dbraw/zinc/04/77/83/646047783.db2.gz IIHAHQAZNBIRGG-GHMZBOCLSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1nonc1[C@H](C)N[C@H](C)CCCC(C)C ZINC000924528493 646048279 /nfs/dbraw/zinc/04/82/79/646048279.db2.gz IIHAHQAZNBIRGG-MNOVXSKESA-N 0 1 239.363 3.243 20 0 BGADMN Cc1nonc1[C@H](C)N[C@@H](C)CCCC(C)C ZINC000924528494 646042393 /nfs/dbraw/zinc/04/23/93/646042393.db2.gz IIHAHQAZNBIRGG-QWRGUYRKSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1nonc1[C@@H](C)N[C@@H](C)CCCC(C)C ZINC000924528495 646041789 /nfs/dbraw/zinc/04/17/89/646041789.db2.gz IIHAHQAZNBIRGG-WDEREUQCSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1ccc([C@H](NC2CC2)c2ccccn2)cc1 ZINC000924528529 632701251 /nfs/dbraw/zinc/70/12/51/632701251.db2.gz IZIRAFVBWQMQIA-INIZCTEOSA-N 0 1 238.334 3.231 20 0 BGADMN Cc1ccc([C@@H](NC2CC2)c2ccccn2)cc1 ZINC000924528531 632700295 /nfs/dbraw/zinc/70/02/95/632700295.db2.gz IZIRAFVBWQMQIA-MRXNPFEDSA-N 0 1 238.334 3.231 20 0 BGADMN CCC[C@@H](NC1CC1)c1ncccc1Cl ZINC000924530207 646051322 /nfs/dbraw/zinc/05/13/22/646051322.db2.gz FPXYBFLHKDYFDF-LLVKDONJSA-N 0 1 224.735 3.328 20 0 BGADMN CCC[C@H](NC1CC1)c1ncccc1Cl ZINC000924530209 646051030 /nfs/dbraw/zinc/05/10/30/646051030.db2.gz FPXYBFLHKDYFDF-NSHDSACASA-N 0 1 224.735 3.328 20 0 BGADMN Cc1cccc2c1[C@@H](NCc1ccco1)CC2 ZINC000924540303 646059646 /nfs/dbraw/zinc/05/96/46/646059646.db2.gz OSOZYKOIZZPHHA-AWEZNQCLSA-N 0 1 227.307 3.365 20 0 BGADMN Cc1cccc2c1[C@H](NCc1ccco1)CC2 ZINC000924540305 646060377 /nfs/dbraw/zinc/06/03/77/646060377.db2.gz OSOZYKOIZZPHHA-CQSZACIVSA-N 0 1 227.307 3.365 20 0 BGADMN COc1ccnc([C@H](C)NCc2cccs2)c1 ZINC000924560488 646068364 /nfs/dbraw/zinc/06/83/64/646068364.db2.gz QCPAHUHPFWGPCT-JTQLQIEISA-N 0 1 248.351 3.003 20 0 BGADMN COc1ccnc([C@@H](C)NCc2cccs2)c1 ZINC000924560490 646069146 /nfs/dbraw/zinc/06/91/46/646069146.db2.gz QCPAHUHPFWGPCT-SNVBAGLBSA-N 0 1 248.351 3.003 20 0 BGADMN C[C@@H](NCC1(c2ccccc2)CC1)c1ncco1 ZINC000924621607 646079683 /nfs/dbraw/zinc/07/96/83/646079683.db2.gz XHLUHNBDDWWZFA-GFCCVEGCSA-N 0 1 242.322 3.057 20 0 BGADMN C[C@H](NCC1(c2ccccc2)CC1)c1ncco1 ZINC000924621609 646079971 /nfs/dbraw/zinc/07/99/71/646079971.db2.gz XHLUHNBDDWWZFA-LBPRGKRZSA-N 0 1 242.322 3.057 20 0 BGADMN Cc1nc(CNC2CC3(C2)CCCC3)cs1 ZINC000924721018 637034374 /nfs/dbraw/zinc/03/43/74/637034374.db2.gz CXSYRYNQMKCVSE-UHFFFAOYSA-N 0 1 236.384 3.264 20 0 BGADMN Cc1ccc(CCN[C@H](C)c2ncco2)c(C)c1 ZINC000924793800 646108083 /nfs/dbraw/zinc/10/80/83/646108083.db2.gz VJXAXMTWMFJMGX-CYBMUJFWSA-N 0 1 244.338 3.185 20 0 BGADMN Cc1ccc(CCN[C@@H](C)c2ncco2)c(C)c1 ZINC000924793801 646108951 /nfs/dbraw/zinc/10/89/51/646108951.db2.gz VJXAXMTWMFJMGX-ZDUSSCGKSA-N 0 1 244.338 3.185 20 0 BGADMN C[C@@H](NC[C@@H](C)c1cccc(F)c1)c1ncco1 ZINC000924807422 638201012 /nfs/dbraw/zinc/20/10/12/638201012.db2.gz VFYHRBKEOFLMBV-GHMZBOCLSA-N 0 1 248.301 3.268 20 0 BGADMN C[C@H](CN[C@@H](C)c1ncco1)c1cccc(F)c1 ZINC000924807425 638203061 /nfs/dbraw/zinc/20/30/61/638203061.db2.gz VFYHRBKEOFLMBV-MNOVXSKESA-N 0 1 248.301 3.268 20 0 BGADMN C[C@@H](CN[C@@H](C)c1ncco1)c1cccc(F)c1 ZINC000924807430 638203803 /nfs/dbraw/zinc/20/38/03/638203803.db2.gz VFYHRBKEOFLMBV-QWRGUYRKSA-N 0 1 248.301 3.268 20 0 BGADMN C[C@@H](CN[C@H](C)c1ncco1)c1cccc(F)c1 ZINC000924807432 638203712 /nfs/dbraw/zinc/20/37/12/638203712.db2.gz VFYHRBKEOFLMBV-WDEREUQCSA-N 0 1 248.301 3.268 20 0 BGADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1nccn1C ZINC000924938463 635790796 /nfs/dbraw/zinc/79/07/96/635790796.db2.gz KGOLRUHESNDGRP-OCCSQVGLSA-N 0 1 247.386 3.035 20 0 BGADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1nccn1C ZINC000924938465 635790894 /nfs/dbraw/zinc/79/08/94/635790894.db2.gz KGOLRUHESNDGRP-TZMCWYRMSA-N 0 1 247.386 3.035 20 0 BGADMN Cc1cc(CN[C@H]2CCc3cccc(C)c32)on1 ZINC000924958753 635806629 /nfs/dbraw/zinc/80/66/29/635806629.db2.gz HJTMRZBFAJEOJA-AWEZNQCLSA-N 0 1 242.322 3.069 20 0 BGADMN Cc1cc(CN[C@@H]2CCc3cccc(C)c32)on1 ZINC000924958754 635806732 /nfs/dbraw/zinc/80/67/32/635806732.db2.gz HJTMRZBFAJEOJA-CQSZACIVSA-N 0 1 242.322 3.069 20 0 BGADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1cc[nH]n1 ZINC000924987851 635825799 /nfs/dbraw/zinc/82/57/99/635825799.db2.gz AYAWWBVAXWBPBY-BXUZGUMPSA-N 0 1 233.359 3.024 20 0 BGADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1cc[nH]n1 ZINC000924987859 635825738 /nfs/dbraw/zinc/82/57/38/635825738.db2.gz AYAWWBVAXWBPBY-RISCZKNCSA-N 0 1 233.359 3.024 20 0 BGADMN CC(C)c1cc(CN[C@H](C)C2(Cl)CC2)on1 ZINC000925069237 646176219 /nfs/dbraw/zinc/17/62/19/646176219.db2.gz VXBCCAYROXLOAZ-SECBINFHSA-N 0 1 242.750 3.048 20 0 BGADMN CC(C)c1cc(CN[C@@H](C)C2(Cl)CC2)on1 ZINC000925069242 646176050 /nfs/dbraw/zinc/17/60/50/646176050.db2.gz VXBCCAYROXLOAZ-VIFPVBQESA-N 0 1 242.750 3.048 20 0 BGADMN Cc1nonc1[C@@H](C)N[C@H](C)CCC(C)(C)C ZINC000925095715 646182021 /nfs/dbraw/zinc/18/20/21/646182021.db2.gz LBEKYYYDPBKWIX-NXEZZACHSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1nonc1[C@H](C)N[C@@H](C)CCC(C)(C)C ZINC000925095716 646182433 /nfs/dbraw/zinc/18/24/33/646182433.db2.gz LBEKYYYDPBKWIX-UWVGGRQHSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1nonc1[C@@H](C)N[C@@H](C)CCC(C)(C)C ZINC000925095717 646182976 /nfs/dbraw/zinc/18/29/76/646182976.db2.gz LBEKYYYDPBKWIX-VHSXEESVSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1nonc1[C@H](C)N[C@H](C)CCC(C)(C)C ZINC000925095718 646181415 /nfs/dbraw/zinc/18/14/15/646181415.db2.gz LBEKYYYDPBKWIX-ZJUUUORDSA-N 0 1 239.363 3.243 20 0 BGADMN Cc1cccc([C@H](C)CN[C@H](C)c2ncco2)c1 ZINC000925124578 636124889 /nfs/dbraw/zinc/12/48/89/636124889.db2.gz RVFKTEWBUNNYIR-CHWSQXEVSA-N 0 1 244.338 3.437 20 0 BGADMN Cc1cccc([C@H](C)CN[C@@H](C)c2ncco2)c1 ZINC000925124580 636124260 /nfs/dbraw/zinc/12/42/60/636124260.db2.gz RVFKTEWBUNNYIR-OLZOCXBDSA-N 0 1 244.338 3.437 20 0 BGADMN Cc1cccc([C@@H](C)CN[C@H](C)c2ncco2)c1 ZINC000925124581 636124538 /nfs/dbraw/zinc/12/45/38/636124538.db2.gz RVFKTEWBUNNYIR-QWHCGFSZSA-N 0 1 244.338 3.437 20 0 BGADMN Cc1cccc([C@@H](C)CN[C@@H](C)c2ncco2)c1 ZINC000925124583 636124449 /nfs/dbraw/zinc/12/44/49/636124449.db2.gz RVFKTEWBUNNYIR-STQMWFEESA-N 0 1 244.338 3.437 20 0 BGADMN C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ncco1 ZINC000925152176 646195151 /nfs/dbraw/zinc/19/51/51/646195151.db2.gz OAOFMZACPJWRQM-QNWHQSFQSA-N 0 1 234.343 3.294 20 0 BGADMN C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ncco1 ZINC000925152178 646194307 /nfs/dbraw/zinc/19/43/07/646194307.db2.gz OAOFMZACPJWRQM-UMSGYPCISA-N 0 1 234.343 3.294 20 0 BGADMN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ncco1 ZINC000925152180 646195577 /nfs/dbraw/zinc/19/55/77/646195577.db2.gz OAOFMZACPJWRQM-WUHRBBMRSA-N 0 1 234.343 3.294 20 0 BGADMN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ncco1 ZINC000925152181 646195053 /nfs/dbraw/zinc/19/50/53/646195053.db2.gz OAOFMZACPJWRQM-ZDEQEGDKSA-N 0 1 234.343 3.294 20 0 BGADMN Cc1ccc(CC[C@H](C)N[C@H](C)c2ncco2)o1 ZINC000925160261 646197347 /nfs/dbraw/zinc/19/73/47/646197347.db2.gz BKAGABLTUUTPHP-CMPLNLGQSA-N 0 1 248.326 3.248 20 0 BGADMN Cc1ccc(CC[C@H](C)N[C@@H](C)c2ncco2)o1 ZINC000925160264 646196925 /nfs/dbraw/zinc/19/69/25/646196925.db2.gz BKAGABLTUUTPHP-JQWIXIFHSA-N 0 1 248.326 3.248 20 0 BGADMN Cc1ccc(CC[C@@H](C)N[C@@H](C)c2ncco2)o1 ZINC000925160265 646198276 /nfs/dbraw/zinc/19/82/76/646198276.db2.gz BKAGABLTUUTPHP-PWSUYJOCSA-N 0 1 248.326 3.248 20 0 BGADMN Cc1ccc(CC[C@@H](C)N[C@H](C)c2ncco2)o1 ZINC000925160268 646197808 /nfs/dbraw/zinc/19/78/08/646197808.db2.gz BKAGABLTUUTPHP-ZYHUDNBSSA-N 0 1 248.326 3.248 20 0 BGADMN CCC(CC)(CN[C@@H](C)c1ncco1)SC ZINC000925173446 636351079 /nfs/dbraw/zinc/35/10/79/636351079.db2.gz OKXSJAYETGETKY-JTQLQIEISA-N 0 1 242.388 3.247 20 0 BGADMN CCC(CC)(CN[C@H](C)c1ncco1)SC ZINC000925173447 636351735 /nfs/dbraw/zinc/35/17/35/636351735.db2.gz OKXSJAYETGETKY-SNVBAGLBSA-N 0 1 242.388 3.247 20 0 BGADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1ccon1 ZINC000925212292 646209726 /nfs/dbraw/zinc/20/97/26/646209726.db2.gz QKOUDNBHJQFQCW-BXUZGUMPSA-N 0 1 234.343 3.289 20 0 BGADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1ccon1 ZINC000925212293 646208788 /nfs/dbraw/zinc/20/87/88/646208788.db2.gz QKOUDNBHJQFQCW-RISCZKNCSA-N 0 1 234.343 3.289 20 0 BGADMN C[C@@H](N[C@@H]1CCCc2[nH]ccc21)c1ccns1 ZINC000925229860 646216186 /nfs/dbraw/zinc/21/61/86/646216186.db2.gz YJUJTMDJNIXING-BXKDBHETSA-N 0 1 247.367 3.199 20 0 BGADMN C[C@H](N[C@H]1CCCc2[nH]ccc21)c1ccns1 ZINC000925229861 646215519 /nfs/dbraw/zinc/21/55/19/646215519.db2.gz YJUJTMDJNIXING-CABZTGNLSA-N 0 1 247.367 3.199 20 0 BGADMN C[C@H](N[C@@H]1CCCc2[nH]ccc21)c1ccns1 ZINC000925229863 646211251 /nfs/dbraw/zinc/21/12/51/646211251.db2.gz YJUJTMDJNIXING-JOYOIKCWSA-N 0 1 247.367 3.199 20 0 BGADMN C[C@@H](N[C@H]1CCCc2[nH]ccc21)c1ccns1 ZINC000925229865 646212145 /nfs/dbraw/zinc/21/21/45/646212145.db2.gz YJUJTMDJNIXING-SKDRFNHKSA-N 0 1 247.367 3.199 20 0 BGADMN Cc1cc(F)ccc1CCN[C@H](C)c1ncco1 ZINC000925245483 646218882 /nfs/dbraw/zinc/21/88/82/646218882.db2.gz ZZWUNXKFFOCHDE-LLVKDONJSA-N 0 1 248.301 3.015 20 0 BGADMN Cc1cc(F)ccc1CCN[C@@H](C)c1ncco1 ZINC000925245484 646218495 /nfs/dbraw/zinc/21/84/95/646218495.db2.gz ZZWUNXKFFOCHDE-NSHDSACASA-N 0 1 248.301 3.015 20 0 BGADMN CCC1(CN[C@H](C)c2ncco2)CCCC1 ZINC000925279125 646228770 /nfs/dbraw/zinc/22/87/70/646228770.db2.gz VIJJMHAUCCWXNB-LLVKDONJSA-N 0 1 222.332 3.296 20 0 BGADMN CCC1(CN[C@@H](C)c2ncco2)CCCC1 ZINC000925279126 646220731 /nfs/dbraw/zinc/22/07/31/646220731.db2.gz VIJJMHAUCCWXNB-NSHDSACASA-N 0 1 222.332 3.296 20 0 BGADMN Clc1cccc2c1[C@H](NC1CCC1)COC2 ZINC000925378666 646256285 /nfs/dbraw/zinc/25/62/85/646256285.db2.gz ZSAFXONKEGGMHH-GFCCVEGCSA-N 0 1 237.730 3.053 20 0 BGADMN Clc1cccc2c1[C@@H](NC1CCC1)COC2 ZINC000925378667 646257018 /nfs/dbraw/zinc/25/70/18/646257018.db2.gz ZSAFXONKEGGMHH-LBPRGKRZSA-N 0 1 237.730 3.053 20 0 BGADMN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ncco1 ZINC000925467179 642349995 /nfs/dbraw/zinc/34/99/95/642349995.db2.gz QEGDHDWTLQRYOX-CYZMBNFOSA-N 0 1 234.343 3.294 20 0 BGADMN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ncco1 ZINC000925467180 642349833 /nfs/dbraw/zinc/34/98/33/642349833.db2.gz QEGDHDWTLQRYOX-DRZSPHRISA-N 0 1 234.343 3.294 20 0 BGADMN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ncco1 ZINC000925467181 642348579 /nfs/dbraw/zinc/34/85/79/642348579.db2.gz QEGDHDWTLQRYOX-UHTWSYAYSA-N 0 1 234.343 3.294 20 0 BGADMN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ncco1 ZINC000925467182 642348952 /nfs/dbraw/zinc/34/89/52/642348952.db2.gz QEGDHDWTLQRYOX-WCFLWFBJSA-N 0 1 234.343 3.294 20 0 BGADMN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ncco1 ZINC000925479233 642471192 /nfs/dbraw/zinc/47/11/92/642471192.db2.gz YLHWLQXFVNTNAQ-AXFHLTTASA-N 0 1 210.321 3.150 20 0 BGADMN CC[C@H](C)C[C@H](C)N[C@@H](C)c1ncco1 ZINC000925479240 642470526 /nfs/dbraw/zinc/47/05/26/642470526.db2.gz YLHWLQXFVNTNAQ-DCAQKATOSA-N 0 1 210.321 3.150 20 0 BGADMN CC[C@H](C)C[C@H](C)N[C@H](C)c1ncco1 ZINC000925479247 642470743 /nfs/dbraw/zinc/47/07/43/642470743.db2.gz YLHWLQXFVNTNAQ-GARJFASQSA-N 0 1 210.321 3.150 20 0 BGADMN CC[C@H](C)C[C@@H](C)N[C@H](C)c1ncco1 ZINC000925479252 642470022 /nfs/dbraw/zinc/47/00/22/642470022.db2.gz YLHWLQXFVNTNAQ-HBNTYKKESA-N 0 1 210.321 3.150 20 0 BGADMN CCC[C@@H]1C[C@H]1N[C@H]1CCCc2oc(C)nc21 ZINC000925484465 644531680 /nfs/dbraw/zinc/53/16/80/644531680.db2.gz FRFGJJHBQWLHFQ-GRYCIOLGSA-N 0 1 234.343 3.139 20 0 BGADMN CCC[C@@H]1C[C@H]1N[C@@H]1CCCc2oc(C)nc21 ZINC000925484466 644538490 /nfs/dbraw/zinc/53/84/90/644538490.db2.gz FRFGJJHBQWLHFQ-IJLUTSLNSA-N 0 1 234.343 3.139 20 0 BGADMN CCC[C@@H]1C[C@@H]1N[C@@H]1CCCc2oc(C)nc21 ZINC000925484467 644538563 /nfs/dbraw/zinc/53/85/63/644538563.db2.gz FRFGJJHBQWLHFQ-UTUOFQBUSA-N 0 1 234.343 3.139 20 0 BGADMN CCC[C@@H]1C[C@@H]1N[C@H]1CCCc2oc(C)nc21 ZINC000925484468 644538458 /nfs/dbraw/zinc/53/84/58/644538458.db2.gz 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20 0 BGADMN C[C@@H](NCC1(C)CCCCC1)c1ncco1 ZINC000925524726 646315986 /nfs/dbraw/zinc/31/59/86/646315986.db2.gz YQYXQMCKBBPFPL-LLVKDONJSA-N 0 1 222.332 3.296 20 0 BGADMN C[C@H](NCC1(C)CCCCC1)c1ncco1 ZINC000925524727 646314555 /nfs/dbraw/zinc/31/45/55/646314555.db2.gz YQYXQMCKBBPFPL-NSHDSACASA-N 0 1 222.332 3.296 20 0 BGADMN CCCC1(CN[C@H](C)c2ncco2)CCC1 ZINC000925525664 646317611 /nfs/dbraw/zinc/31/76/11/646317611.db2.gz IWEPTHVTTQWDTJ-LLVKDONJSA-N 0 1 222.332 3.296 20 0 BGADMN CCCC1(CN[C@@H](C)c2ncco2)CCC1 ZINC000925525666 646317217 /nfs/dbraw/zinc/31/72/17/646317217.db2.gz IWEPTHVTTQWDTJ-NSHDSACASA-N 0 1 222.332 3.296 20 0 BGADMN Cc1cccc(C)c1CCN[C@H](C)c1ncco1 ZINC000925546231 646327211 /nfs/dbraw/zinc/32/72/11/646327211.db2.gz GRIRSKLZYRMBEW-CYBMUJFWSA-N 0 1 244.338 3.185 20 0 BGADMN Cc1cccc(C)c1CCN[C@@H](C)c1ncco1 ZINC000925546233 646326609 /nfs/dbraw/zinc/32/66/09/646326609.db2.gz GRIRSKLZYRMBEW-ZDUSSCGKSA-N 0 1 244.338 3.185 20 0 BGADMN Fc1cccnc1CNC1CC2(C1)CCCC2 ZINC000925600973 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/nfs/dbraw/zinc/57/98/03/635579803.db2.gz JIYIXPYRDKNSJQ-RISCZKNCSA-N 0 1 234.343 3.289 20 0 BGADMN CSCCCCCCN[C@H](C)c1ncco1 ZINC000926131436 646580409 /nfs/dbraw/zinc/58/04/09/646580409.db2.gz FCFSFWIFGIYWDZ-LLVKDONJSA-N 0 1 242.388 3.249 20 0 BGADMN CSCCCCCCN[C@@H](C)c1ncco1 ZINC000926131439 646581233 /nfs/dbraw/zinc/58/12/33/646581233.db2.gz FCFSFWIFGIYWDZ-NSHDSACASA-N 0 1 242.388 3.249 20 0 BGADMN CS[C@H](CN[C@H](C)c1ncco1)C(C)(C)C ZINC000926134274 646582455 /nfs/dbraw/zinc/58/24/55/646582455.db2.gz AGILZUNNDYXIRG-NXEZZACHSA-N 0 1 242.388 3.103 20 0 BGADMN CS[C@@H](CN[C@@H](C)c1ncco1)C(C)(C)C ZINC000926134275 646581960 /nfs/dbraw/zinc/58/19/60/646581960.db2.gz AGILZUNNDYXIRG-UWVGGRQHSA-N 0 1 242.388 3.103 20 0 BGADMN CS[C@H](CN[C@@H](C)c1ncco1)C(C)(C)C ZINC000926134276 646582400 /nfs/dbraw/zinc/58/24/00/646582400.db2.gz AGILZUNNDYXIRG-VHSXEESVSA-N 0 1 242.388 3.103 20 0 BGADMN CS[C@@H](CN[C@H](C)c1ncco1)C(C)(C)C ZINC000926134277 646582729 /nfs/dbraw/zinc/58/27/29/646582729.db2.gz AGILZUNNDYXIRG-ZJUUUORDSA-N 0 1 242.388 3.103 20 0 BGADMN Cc1nonc1[C@@H](C)NCCC1=CCCCCC1 ZINC000926190849 646590706 /nfs/dbraw/zinc/59/07/06/646590706.db2.gz TUVPDGOHVPSUPQ-LLVKDONJSA-N 0 1 249.358 3.309 20 0 BGADMN Cc1nonc1[C@H](C)NCCC1=CCCCCC1 ZINC000926190850 646590608 /nfs/dbraw/zinc/59/06/08/646590608.db2.gz TUVPDGOHVPSUPQ-NSHDSACASA-N 0 1 249.358 3.309 20 0 BGADMN C[C@@H](NC1(Cc2ccccc2)CC1)c1ncco1 ZINC000926206359 646595308 /nfs/dbraw/zinc/59/53/08/646595308.db2.gz MZOZDTAGJJQJNO-GFCCVEGCSA-N 0 1 242.322 3.101 20 0 BGADMN C[C@H](NC1(Cc2ccccc2)CC1)c1ncco1 ZINC000926206360 646595662 /nfs/dbraw/zinc/59/56/62/646595662.db2.gz MZOZDTAGJJQJNO-LBPRGKRZSA-N 0 1 242.322 3.101 20 0 BGADMN CC(C)C(C)(C)CN[C@@H](C)c1ncco1 ZINC000926240777 646603505 /nfs/dbraw/zinc/60/35/05/646603505.db2.gz FWOZEMCWXHKUSP-JTQLQIEISA-N 0 1 210.321 3.007 20 0 BGADMN CC(C)C(C)(C)CN[C@H](C)c1ncco1 ZINC000926240779 646603075 /nfs/dbraw/zinc/60/30/75/646603075.db2.gz FWOZEMCWXHKUSP-SNVBAGLBSA-N 0 1 210.321 3.007 20 0 BGADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC12CCCC2 ZINC000926281812 646610085 /nfs/dbraw/zinc/61/00/85/646610085.db2.gz BMPXTPQSAKEATR-AAEUAGOBSA-N 0 1 246.354 3.283 20 0 BGADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CC12CCCC2 ZINC000926281813 646610502 /nfs/dbraw/zinc/61/05/02/646610502.db2.gz BMPXTPQSAKEATR-DGCLKSJQSA-N 0 1 246.354 3.283 20 0 BGADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC12CCCC2 ZINC000926281814 646610585 /nfs/dbraw/zinc/61/05/85/646610585.db2.gz BMPXTPQSAKEATR-WCQYABFASA-N 0 1 246.354 3.283 20 0 BGADMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CC12CCCC2 ZINC000926281815 646610008 /nfs/dbraw/zinc/61/00/08/646610008.db2.gz BMPXTPQSAKEATR-YPMHNXCESA-N 0 1 246.354 3.283 20 0 BGADMN Cc1cscc1CN[C@H](C)c1ccns1 ZINC000926305022 631578408 /nfs/dbraw/zinc/57/84/08/631578408.db2.gz XCNBXZRQIFFTCR-SECBINFHSA-N 0 1 238.381 3.364 20 0 BGADMN Cc1cscc1CN[C@@H](C)c1ccns1 ZINC000926305023 631578666 /nfs/dbraw/zinc/57/86/66/631578666.db2.gz XCNBXZRQIFFTCR-VIFPVBQESA-N 0 1 238.381 3.364 20 0 BGADMN C[C@@H](NCCCc1ccccc1F)c1ncco1 ZINC000926339440 646620097 /nfs/dbraw/zinc/62/00/97/646620097.db2.gz NMBLNZYPZPHOPT-LLVKDONJSA-N 0 1 248.301 3.097 20 0 BGADMN C[C@H](NCCCc1ccccc1F)c1ncco1 ZINC000926339442 646621136 /nfs/dbraw/zinc/62/11/36/646621136.db2.gz NMBLNZYPZPHOPT-NSHDSACASA-N 0 1 248.301 3.097 20 0 BGADMN C[C@H](NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1ncco1 ZINC000926341536 646620475 /nfs/dbraw/zinc/62/04/75/646620475.db2.gz LDQZUYUKOFYDOI-CYDGBPFRSA-N 0 1 236.359 3.398 20 0 BGADMN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1ncco1 ZINC000926341538 646619902 /nfs/dbraw/zinc/61/99/02/646619902.db2.gz LDQZUYUKOFYDOI-NDBYEHHHSA-N 0 1 236.359 3.398 20 0 BGADMN C[C@H](NC[C@@H]1CCC[C@H](C)[C@H]1C)c1ncco1 ZINC000926341539 646620799 /nfs/dbraw/zinc/62/07/99/646620799.db2.gz LDQZUYUKOFYDOI-RNJOBUHISA-N 0 1 236.359 3.398 20 0 BGADMN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ncco1 ZINC000926341541 646620466 /nfs/dbraw/zinc/62/04/66/646620466.db2.gz LDQZUYUKOFYDOI-VOAKCMCISA-N 0 1 236.359 3.398 20 0 BGADMN C[C@@H](NCC1C(C)(C)C1(C)C)c1ncco1 ZINC000926341716 646620714 /nfs/dbraw/zinc/62/07/14/646620714.db2.gz HLUDYLGXNOFUIM-SECBINFHSA-N 0 1 222.332 3.007 20 0 BGADMN C[C@H](NCC1C(C)(C)C1(C)C)c1ncco1 ZINC000926341717 646620120 /nfs/dbraw/zinc/62/01/20/646620120.db2.gz HLUDYLGXNOFUIM-VIFPVBQESA-N 0 1 222.332 3.007 20 0 BGADMN C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ncco1 ZINC000926343741 631718104 /nfs/dbraw/zinc/71/81/04/631718104.db2.gz STUQICBEYPTOLV-MRVWCRGKSA-N 0 1 242.322 3.271 20 0 BGADMN C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ncco1 ZINC000926343745 631717800 /nfs/dbraw/zinc/71/78/00/631717800.db2.gz STUQICBEYPTOLV-UBHSHLNASA-N 0 1 242.322 3.271 20 0 BGADMN COc1cc([C@@H](C)NCCF)cc2ccccc21 ZINC000926347854 646622034 /nfs/dbraw/zinc/62/20/34/646622034.db2.gz KDGLRBKRAMQOTI-LLVKDONJSA-N 0 1 247.313 3.469 20 0 BGADMN COc1cc([C@H](C)NCCF)cc2ccccc21 ZINC000926347855 646622609 /nfs/dbraw/zinc/62/26/09/646622609.db2.gz KDGLRBKRAMQOTI-NSHDSACASA-N 0 1 247.313 3.469 20 0 BGADMN 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ZINC000926430591 632017811 /nfs/dbraw/zinc/01/78/11/632017811.db2.gz ZCMAMRIBIDRRBW-UTUOFQBUSA-N 0 1 249.345 3.094 20 0 BGADMN CC[C@H](C[C@@](C)(O)CC)N[C@H]1CCCC1(F)F ZINC000926430596 632018125 /nfs/dbraw/zinc/01/81/25/632018125.db2.gz ZCMAMRIBIDRRBW-WOPDTQHZSA-N 0 1 249.345 3.094 20 0 BGADMN C=Cc1ccc(CCN[C@H](C)c2ncco2)cc1 ZINC000926459395 646646640 /nfs/dbraw/zinc/64/66/40/646646640.db2.gz PWPOOGSKJMOXJC-GFCCVEGCSA-N 0 1 242.322 3.211 20 0 BGADMN C=Cc1ccc(CCN[C@@H](C)c2ncco2)cc1 ZINC000926459397 646646340 /nfs/dbraw/zinc/64/63/40/646646340.db2.gz PWPOOGSKJMOXJC-LBPRGKRZSA-N 0 1 242.322 3.211 20 0 BGADMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ncco1 ZINC000926465636 646650972 /nfs/dbraw/zinc/65/09/72/646650972.db2.gz ADTZURFQBRSLJF-JTQLQIEISA-N 0 1 243.310 3.122 20 0 BGADMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ncco1 ZINC000926465639 646650750 /nfs/dbraw/zinc/65/07/50/646650750.db2.gz ADTZURFQBRSLJF-SNVBAGLBSA-N 0 1 243.310 3.122 20 0 BGADMN C[C@H](NCC(C)(C)C(C)(C)C)c1ncco1 ZINC000926482685 646656624 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MLWQDEZNWRMXER-VXGBXAGGSA-N 0 1 220.316 3.072 20 0 BGADMN CC(C)(F)CN[C@@H](c1ccccn1)C1CCC1 ZINC000926779323 633049942 /nfs/dbraw/zinc/04/99/42/633049942.db2.gz HMFWIYOOVISOIS-CYBMUJFWSA-N 0 1 236.334 3.261 20 0 BGADMN CC(C)(F)CN[C@H](c1ccccn1)C1CCC1 ZINC000926779329 633049986 /nfs/dbraw/zinc/04/99/86/633049986.db2.gz HMFWIYOOVISOIS-ZDUSSCGKSA-N 0 1 236.334 3.261 20 0 BGADMN C[C@H](NCC(C)(C)F)c1ccnn1C1CCC1 ZINC000926780487 633053870 /nfs/dbraw/zinc/05/38/70/633053870.db2.gz OZZLFIMWXZIKRV-JTQLQIEISA-N 0 1 239.338 3.007 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1ccnn1C1CCC1 ZINC000926780493 633053775 /nfs/dbraw/zinc/05/37/75/633053775.db2.gz OZZLFIMWXZIKRV-SNVBAGLBSA-N 0 1 239.338 3.007 20 0 BGADMN CC(C)(F)CN[C@H]1CCc2c1nccc2Cl ZINC000926781010 633055924 /nfs/dbraw/zinc/05/59/24/633055924.db2.gz SUNRIZVAYDTKQK-JTQLQIEISA-N 0 1 242.725 3.060 20 0 BGADMN CC(C)(F)CN[C@@H]1CCc2c1nccc2Cl ZINC000926781011 633056192 /nfs/dbraw/zinc/05/61/92/633056192.db2.gz SUNRIZVAYDTKQK-SNVBAGLBSA-N 0 1 242.725 3.060 20 0 BGADMN C[C@H](NCC(C)(C)F)c1cnn(C2CCC2)c1 ZINC000926781427 645427939 /nfs/dbraw/zinc/42/79/39/645427939.db2.gz WITCHWVWMJGPQH-JTQLQIEISA-N 0 1 239.338 3.007 20 0 BGADMN C[C@@H](NCC(C)(C)F)c1cnn(C2CCC2)c1 ZINC000926781428 645428517 /nfs/dbraw/zinc/42/85/17/645428517.db2.gz WITCHWVWMJGPQH-SNVBAGLBSA-N 0 1 239.338 3.007 20 0 BGADMN Cc1scc(CN[C@@H](C)c2ccnnc2)c1C ZINC000926781785 645427997 /nfs/dbraw/zinc/42/79/97/645427997.db2.gz LNDVZBMAVSUIHU-JTQLQIEISA-N 0 1 247.367 3.006 20 0 BGADMN Cc1scc(CN[C@H](C)c2ccnnc2)c1C ZINC000926781786 645427196 /nfs/dbraw/zinc/42/71/96/645427196.db2.gz LNDVZBMAVSUIHU-SNVBAGLBSA-N 0 1 247.367 3.006 20 0 BGADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccns1 ZINC000926785759 645431475 /nfs/dbraw/zinc/43/14/75/645431475.db2.gz MWHRYAAZJHEFHO-KXUCPTDWSA-N 0 1 228.336 3.074 20 0 BGADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccns1 ZINC000926785761 645431535 /nfs/dbraw/zinc/43/15/35/645431535.db2.gz MWHRYAAZJHEFHO-LPEHRKFASA-N 0 1 228.336 3.074 20 0 BGADMN 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ZINC000926827062 645447418 /nfs/dbraw/zinc/44/74/18/645447418.db2.gz UPLOCPNDMGUFKW-RYUDHWBXSA-N 0 1 220.316 3.072 20 0 BGADMN C[C@@H](NCCC[C@@H]1C=CCC1)c1ncco1 ZINC000926827063 645446630 /nfs/dbraw/zinc/44/66/30/645446630.db2.gz UPLOCPNDMGUFKW-VXGBXAGGSA-N 0 1 220.316 3.072 20 0 BGADMN CCC[C@@H](C)CCN[C@H](C)c1ncco1 ZINC000926840717 633209476 /nfs/dbraw/zinc/20/94/76/633209476.db2.gz FSCQLNUENVLHPJ-GHMZBOCLSA-N 0 1 210.321 3.152 20 0 BGADMN CCC[C@@H](C)CCN[C@@H](C)c1ncco1 ZINC000926840718 633209875 /nfs/dbraw/zinc/20/98/75/633209875.db2.gz FSCQLNUENVLHPJ-MNOVXSKESA-N 0 1 210.321 3.152 20 0 BGADMN CCC[C@H](C)CCN[C@@H](C)c1ncco1 ZINC000926840719 633209233 /nfs/dbraw/zinc/20/92/33/633209233.db2.gz FSCQLNUENVLHPJ-QWRGUYRKSA-N 0 1 210.321 3.152 20 0 BGADMN CCC[C@H](C)CCN[C@H](C)c1ncco1 ZINC000926840720 633209834 /nfs/dbraw/zinc/20/98/34/633209834.db2.gz FSCQLNUENVLHPJ-WDEREUQCSA-N 0 1 210.321 3.152 20 0 BGADMN C[C@@H](NCC(C)(C)CC(F)F)c1ncco1 ZINC000926840974 633209800 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