smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000700467782 711993593 /nfs/dbraw/zinc/99/35/93/711993593.db2.gz YTGSHKVPTYXDBW-ZMLRMANQSA-N 0 1 249.358 2.405 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000700467776 711994024 /nfs/dbraw/zinc/99/40/24/711994024.db2.gz YTGSHKVPTYXDBW-YUSALJHKSA-N 0 1 249.358 2.405 10 0 BEAEMN CC[N@@H+](C[C@H](C)C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000707952703 712173888 /nfs/dbraw/zinc/17/38/88/712173888.db2.gz XMQUSJNOLMRGTL-UWVGGRQHSA-N 0 1 215.337 2.464 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711622026 712312762 /nfs/dbraw/zinc/31/27/62/712312762.db2.gz ZUXZZWINLBJTMI-GMXVVIOVSA-N 0 1 225.332 2.360 10 0 BEAEMN COC(=O)c1sccc1CN[C@H]1C[C@@H]1C ZINC000378659273 712356285 /nfs/dbraw/zinc/35/62/85/712356285.db2.gz FLMWOBKANXHKOE-CBAPKCEASA-N 0 1 225.313 2.033 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+]C2(C3CCC3)CCC2)n1 ZINC000717812170 712680668 /nfs/dbraw/zinc/68/06/68/712680668.db2.gz UXOXNVUZVPNDDD-UHFFFAOYSA-N 0 1 247.342 2.303 10 0 BEAEMN CCC[N@@H+](CC(C)C)CC1(C(=O)[O-])CC1 ZINC000691616673 976377376 /nfs/dbraw/zinc/37/73/76/976377376.db2.gz CVIMZUIRVCIRCR-UHFFFAOYSA-N 0 1 213.321 2.219 10 0 BEAEMN O=C([O-])c1coc(C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000706325607 977313324 /nfs/dbraw/zinc/31/33/24/977313324.db2.gz LXPBXVWBAYZHOP-ZETCQYMHSA-N 0 1 245.225 2.065 10 0 BEAEMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000707006277 977372424 /nfs/dbraw/zinc/37/24/24/977372424.db2.gz WFOJZTJQXQQEGO-SCZZXKLOSA-N 0 1 237.324 2.349 10 0 BEAEMN C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@]1(C)C(=O)[O-] ZINC000710242344 977497162 /nfs/dbraw/zinc/49/71/62/977497162.db2.gz IOFXTAPHFGWIFF-GWCFXTLKSA-N 0 1 227.348 2.465 10 0 BEAEMN COC(C)(C)CC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000692650458 954704068 /nfs/dbraw/zinc/70/40/68/954704068.db2.gz BWWYGSJUJQQOLO-UHFFFAOYSA-N 0 1 245.363 2.234 10 0 BEAEMN CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000693453608 954755616 /nfs/dbraw/zinc/75/56/16/954755616.db2.gz ZEBMYYWSSAECEF-WOPDTQHZSA-N 0 1 227.348 2.464 10 0 BEAEMN CC[C@@H](CC(F)F)C[N@@H+](C)CCCC(=O)[O-] ZINC000699725034 954859405 /nfs/dbraw/zinc/85/94/05/954859405.db2.gz PMMCTUAWEZYNKN-VIFPVBQESA-N 0 1 237.290 2.464 10 0 BEAEMN C[N@@H+](CCCC(=O)[O-])CC1CC(C)(C)C1 ZINC000701661867 954885009 /nfs/dbraw/zinc/88/50/09/954885009.db2.gz LOXJNHLCDRSOCY-UHFFFAOYSA-N 0 1 213.321 2.219 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000706732166 954954699 /nfs/dbraw/zinc/95/46/99/954954699.db2.gz KGBAOCSFUOYHQD-NXEZZACHSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1C(=O)[O-] ZINC000710495471 955026790 /nfs/dbraw/zinc/02/67/90/955026790.db2.gz NQSZMSHSEZBQHX-JQWIXIFHSA-N 0 1 223.316 2.139 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1(C(C)C)CC1 ZINC000687533011 968879501 /nfs/dbraw/zinc/87/95/01/968879501.db2.gz CRRPJGGCQXMJLQ-JTQLQIEISA-N 0 1 213.321 2.218 10 0 BEAEMN CC[C@](C)(C[N@@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692122342 968912355 /nfs/dbraw/zinc/91/23/55/968912355.db2.gz HJFXAWDSRYXHHM-CYBMUJFWSA-N 0 1 245.363 2.234 10 0 BEAEMN CC(C)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000694537626 968943832 /nfs/dbraw/zinc/94/38/32/968943832.db2.gz GAGMFTXMUZRSNU-RYUDHWBXSA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000718074699 969099022 /nfs/dbraw/zinc/09/90/22/969099022.db2.gz YMFQZPWTSSPKAQ-MWLCHTKSSA-N 0 1 237.299 2.131 10 0 BEAEMN O=C([O-])c1cc(C[N@@H+]2CCC[C@H](F)C2)cs1 ZINC000689423313 976254039 /nfs/dbraw/zinc/25/40/39/976254039.db2.gz BNOUQSOSRXPJQK-VIFPVBQESA-N 0 1 243.303 2.380 10 0 BEAEMN O=C([O-])c1cc(C[N@H+]2CCC[C@H](F)C2)cs1 ZINC000689423313 976254042 /nfs/dbraw/zinc/25/40/42/976254042.db2.gz BNOUQSOSRXPJQK-VIFPVBQESA-N 0 1 243.303 2.380 10 0 BEAEMN C[C@@H](Cc1ccsc1)[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000689949642 976271060 /nfs/dbraw/zinc/27/10/60/976271060.db2.gz SEBMDOIGESAWIV-VIFPVBQESA-N 0 1 241.356 2.474 10 0 BEAEMN C[C@H]1CCC[C@@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628043 976378876 /nfs/dbraw/zinc/37/88/76/976378876.db2.gz LAFNUKPNKPQDAX-WDEREUQCSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635465 976378971 /nfs/dbraw/zinc/37/89/71/976378971.db2.gz TVBHSVUNQYWRSM-VWYCJHECSA-N 0 1 225.332 2.218 10 0 BEAEMN C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693043778 976578633 /nfs/dbraw/zinc/57/86/33/976578633.db2.gz AKBRTOQRKDLNEK-LBELIVKGSA-N 0 1 237.343 2.218 10 0 BEAEMN O=C([O-])CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703838667 977207806 /nfs/dbraw/zinc/20/78/06/977207806.db2.gz AQVPAXCHSRUWCP-MNOVXSKESA-N 0 1 243.372 2.211 10 0 BEAEMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CC(O)(CC)CC ZINC000706413588 977314757 /nfs/dbraw/zinc/31/47/57/977314757.db2.gz ZHGNSGICCPFKMN-LLVKDONJSA-N 0 1 245.363 2.113 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])[C@@H]1C ZINC000706732186 977359591 /nfs/dbraw/zinc/35/95/91/977359591.db2.gz KWLCLWPYAHCTMH-NXEZZACHSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1C ZINC000706736445 977360453 /nfs/dbraw/zinc/36/04/53/977360453.db2.gz XIOHKVIPBDMWII-BDAKNGLRSA-N 0 1 237.274 2.364 10 0 BEAEMN O=C([O-])CC1(C[N@H+]2C[C@H]3CCCC[C@H]32)CC1 ZINC000706744851 977360948 /nfs/dbraw/zinc/36/09/48/977360948.db2.gz SLWVKVKJYCNIJG-GHMZBOCLSA-N 0 1 223.316 2.116 10 0 BEAEMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2)[C@@H]1C ZINC000706911482 977367590 /nfs/dbraw/zinc/36/75/90/977367590.db2.gz BABVMQCCRZCBFI-FOGDFJRCSA-N 0 1 219.284 2.153 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000706915258 977368834 /nfs/dbraw/zinc/36/88/34/977368834.db2.gz MWTZLBWDCFNSNE-JGVFFNPUSA-N 0 1 225.313 2.287 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706948113 977370709 /nfs/dbraw/zinc/37/07/09/977370709.db2.gz KSICUOROUZERBB-SDDRHHMPSA-N 0 1 225.332 2.360 10 0 BEAEMN CC[N@@H+](CCCCC(C)C)CC(=O)[O-] ZINC000707378314 977389425 /nfs/dbraw/zinc/38/94/25/977389425.db2.gz NBYAZCIYIKEIGS-UHFFFAOYSA-N 0 1 201.310 2.219 10 0 BEAEMN C[C@@H]1Cc2[nH+]cn(CC3(C(=O)[O-])CC3)c2C[C@H]1C ZINC000709462646 977459630 /nfs/dbraw/zinc/45/96/30/977459630.db2.gz PQRPRCXSPFCAEN-NXEZZACHSA-N 0 1 248.326 2.119 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC000711424378 977545660 /nfs/dbraw/zinc/54/56/60/977545660.db2.gz XTNQKSWBDDPEPU-SFYZADRCSA-N 0 1 225.313 2.287 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@H]1C ZINC000711424380 977546802 /nfs/dbraw/zinc/54/68/02/977546802.db2.gz XTNQKSWBDDPEPU-YUMQZZPRSA-N 0 1 225.313 2.287 10 0 BEAEMN O=C([O-])c1cc[nH+]c(NC[C@H]2C=CCC2)c1 ZINC000711761223 977572972 /nfs/dbraw/zinc/57/29/72/977572972.db2.gz STJSAKQHSUWJKK-VIFPVBQESA-N 0 1 218.256 2.158 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000718058847 977937599 /nfs/dbraw/zinc/93/75/99/977937599.db2.gz QFIYGXRWWMAZLD-UHTWSYAYSA-N 0 1 249.310 2.273 10 0 BEAEMN C[C@H]1CCC[C@@H](OCC(F)(F)CN)C1 ZINC000685955975 538901735 /nfs/dbraw/zinc/90/17/35/538901735.db2.gz GYWZISFJWOAKAR-DTWKUNHWSA-N 0 1 207.264 2.176 10 0 BEAEMN CCC(C)(CC)NC(=O)c1ccc2[nH]nnc2c1 ZINC000112937938 168310347 /nfs/dbraw/zinc/31/03/47/168310347.db2.gz ZXURCLCREONCDI-UHFFFAOYSA-N 0 1 246.314 2.266 10 0 BEAEMN CN(Cc1ccccc1)C[C@@H](N)C(=O)C(C)(C)C ZINC000685961443 538908732 /nfs/dbraw/zinc/90/87/32/538908732.db2.gz IIAXDBRXSKMBLK-CYBMUJFWSA-N 0 1 248.370 2.061 10 0 BEAEMN CC(C)CC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000685962196 538909069 /nfs/dbraw/zinc/90/90/69/538909069.db2.gz XUWAENGLAINORM-AWEZNQCLSA-N 0 1 248.370 2.061 10 0 BEAEMN Cc1nc(CNC[C@H]2CCCC[C@H]2O)cs1 ZINC000082991346 349440756 /nfs/dbraw/zinc/44/07/56/349440756.db2.gz OZXQRLAVYLVAJN-ZYHUDNBSSA-N 0 1 240.372 2.092 10 0 BEAEMN C[C@H]1NC(=S)Oc2cn(C3CCCC3)nc21 ZINC000685965753 538912627 /nfs/dbraw/zinc/91/26/27/538912627.db2.gz RISSYTSOKMRUIF-SSDOTTSWSA-N 0 1 237.328 2.326 10 0 BEAEMN CCN1CCc2ccccc2[C@@H]1c1c[nH]cn1 ZINC000616587924 349462040 /nfs/dbraw/zinc/46/20/40/349462040.db2.gz NYIZBWDSPVIDGY-CQSZACIVSA-N 0 1 227.311 2.377 10 0 BEAEMN Cc1cc(CN2C[C@H](C)OC[C@@H]2C)ccc1N ZINC000035787428 178008120 /nfs/dbraw/zinc/00/81/20/178008120.db2.gz ZKNRWWAKEHPCKT-RYUDHWBXSA-N 0 1 234.343 2.186 10 0 BEAEMN Cc1cc(CNCc2cn[nH]c2)ccc1F ZINC000050545595 178027297 /nfs/dbraw/zinc/02/72/97/178027297.db2.gz OZWLWDJBSTYHMC-UHFFFAOYSA-N 0 1 219.263 2.147 10 0 BEAEMN Cc1nc(-c2ccc(F)cc2C)c(N)n1C ZINC000104849713 178081269 /nfs/dbraw/zinc/08/12/69/178081269.db2.gz UARVZFNNRIGPRA-UHFFFAOYSA-N 0 1 219.263 2.425 10 0 BEAEMN Cc1cc(N(C)C)c2c(O)ccc([O-])c2[nH+]1 ZINC000255975057 178094026 /nfs/dbraw/zinc/09/40/26/178094026.db2.gz GTLKJZLYLVYLCW-UHFFFAOYSA-N 0 1 218.256 2.020 10 0 BEAEMN C[C@@H]1C[C@@H](NCc2ncn(C)n2)CC(C)(C)C1 ZINC000092851212 398206521 /nfs/dbraw/zinc/20/65/21/398206521.db2.gz ZAKOLTPQSPRPKA-GHMZBOCLSA-N 0 1 236.363 2.120 10 0 BEAEMN Cc1cc(NN)nc(C(C)(C)c2ccccc2)n1 ZINC000062773744 178177629 /nfs/dbraw/zinc/17/76/29/178177629.db2.gz SFZHFAMZKWZVPW-UHFFFAOYSA-N 0 1 242.326 2.397 10 0 BEAEMN Cc1cc2[nH]c(CN)nc2cc1Br ZINC000062152751 178277223 /nfs/dbraw/zinc/27/72/23/178277223.db2.gz ROZUZNCEWSCBBE-UHFFFAOYSA-N 0 1 240.104 2.093 10 0 BEAEMN Cc1cc2nc(Cl)c(NN)nc2cc1C ZINC000073737785 178301311 /nfs/dbraw/zinc/30/13/11/178301311.db2.gz ZKKSOVVPXXDMCZ-UHFFFAOYSA-N 0 1 222.679 2.186 10 0 BEAEMN Cc1ccc(-c2cc(C)[nH]c(=NN)n2)cc1 ZINC000062203183 178318913 /nfs/dbraw/zinc/31/89/13/178318913.db2.gz CIEFHVOWFXVKLJ-UHFFFAOYSA-N 0 1 214.272 2.046 10 0 BEAEMN CCC(CC)N(C)C(=O)[C@@H](N)c1ccccc1 ZINC000036789260 168368150 /nfs/dbraw/zinc/36/81/50/168368150.db2.gz VHDXQQNRPNHNTM-ZDUSSCGKSA-N 0 1 234.343 2.333 10 0 BEAEMN Cc1[nH+]ccn1-c1ccc(C)cc1C(=O)[O-] ZINC000052981003 178346803 /nfs/dbraw/zinc/34/68/03/178346803.db2.gz DHRIXPLJUYMENA-UHFFFAOYSA-N 0 1 216.240 2.187 10 0 BEAEMN Cc1ccc(C=C2NC(=O)NC2=O)s1 ZINC000034106853 178356327 /nfs/dbraw/zinc/35/63/27/178356327.db2.gz FRCGPGIXARISAN-DAXSKMNVSA-N 0 1 208.242 2.077 10 0 BEAEMN CCc1nc(CC2CCSCC2)n[nH]1 ZINC000157658665 342811090 /nfs/dbraw/zinc/81/10/90/342811090.db2.gz APHPCJLUTGYQPM-UHFFFAOYSA-N 0 1 211.334 2.053 10 0 BEAEMN CCc1nnc(CC2CCSCC2)[nH]1 ZINC000157658665 342811091 /nfs/dbraw/zinc/81/10/91/342811091.db2.gz APHPCJLUTGYQPM-UHFFFAOYSA-N 0 1 211.334 2.053 10 0 BEAEMN C[C@@H]1C[C@]2(CS1)NC[C@@H](C)CS2 ZINC000226587291 342842704 /nfs/dbraw/zinc/84/27/04/342842704.db2.gz YFMNBZORCATZLI-HLTSFMKQSA-N 0 1 203.376 2.181 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1ccc(Cl)o1 ZINC000134534134 342863115 /nfs/dbraw/zinc/86/31/15/342863115.db2.gz RZRDDCIVXKCNKJ-APPZFPTMSA-N 0 1 215.680 2.200 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1C[C@H]2CCC[C@H]21 ZINC000351729050 136249814 /nfs/dbraw/zinc/24/98/14/136249814.db2.gz CDHKORLCDUSSJI-UTUOFQBUSA-N 0 1 225.332 2.058 10 0 BEAEMN Cc1nc(CNCC[C@@H]2CCCO2)cs1 ZINC000037988826 398335598 /nfs/dbraw/zinc/33/55/98/398335598.db2.gz DTVIAWLPIWYHBT-NSHDSACASA-N 0 1 226.345 2.110 10 0 BEAEMN CCCCC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181180035 534930153 /nfs/dbraw/zinc/93/01/53/534930153.db2.gz ACQSNFPGKGJLHQ-SNVBAGLBSA-N 0 1 236.319 2.049 10 0 BEAEMN CCOC(=O)c1nc2[nH]cccc-2c1C ZINC000260420160 349717114 /nfs/dbraw/zinc/71/71/14/349717114.db2.gz CNQWRWQMFYWMST-UHFFFAOYSA-N 0 1 204.229 2.048 10 0 BEAEMN Cc1cc2c(N)c(N)cnc2cc1Cl ZINC000584882888 343085687 /nfs/dbraw/zinc/08/56/87/343085687.db2.gz YVXQJZXWCHHDHO-UHFFFAOYSA-N 0 1 207.664 2.191 10 0 BEAEMN CCNc1c(N)cnc2c(C)c(F)ccc21 ZINC000584882778 343085698 /nfs/dbraw/zinc/08/56/98/343085698.db2.gz QXNOCMFDGSLBNS-UHFFFAOYSA-N 0 1 219.263 2.118 10 0 BEAEMN Nc1cccc2c(-c3ccncc3)n[nH]c21 ZINC000031991976 343227753 /nfs/dbraw/zinc/22/77/53/343227753.db2.gz KKQFJXTUZQQGOD-UHFFFAOYSA-N 0 1 210.240 2.207 10 0 BEAEMN Fc1ccc(-c2cc3[nH]ccn3n2)cc1 ZINC000033898417 343262467 /nfs/dbraw/zinc/26/24/67/343262467.db2.gz TWXLPMFPJGQJCA-UHFFFAOYSA-N 0 1 201.204 2.469 10 0 BEAEMN C/C(c1cc(C)no1)=C1/CN2CCC1CC2 ZINC000013802448 187251303 /nfs/dbraw/zinc/25/13/03/187251303.db2.gz WXVPGWDUSKNVGB-ZRDIBKRKSA-N 0 1 218.300 2.482 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000216823319 343376192 /nfs/dbraw/zinc/37/61/92/343376192.db2.gz UZTLPGPYHFJGHH-GHMZBOCLSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1nn(C)cc1[C@@H]1NCCc2ccsc21 ZINC000712536723 537790122 /nfs/dbraw/zinc/79/01/22/537790122.db2.gz IBHANMQBJXJERT-NSHDSACASA-N 0 1 233.340 2.025 10 0 BEAEMN CC[C@@H]1CCN(Cc2nnc(C)n2C2CC2)C1 ZINC000125912675 343670782 /nfs/dbraw/zinc/67/07/82/343670782.db2.gz VPXSPRPHJVOSRY-LLVKDONJSA-N 0 1 234.347 2.153 10 0 BEAEMN CC[C@H]1CCN(Cc2nnc(C)n2C2CC2)C1 ZINC000125912901 343670945 /nfs/dbraw/zinc/67/09/45/343670945.db2.gz VPXSPRPHJVOSRY-NSHDSACASA-N 0 1 234.347 2.153 10 0 BEAEMN C[C@@H]1CCCCN1c1cc(N)nc(C2CC2)n1 ZINC000126858689 343786660 /nfs/dbraw/zinc/78/66/60/343786660.db2.gz NNWSRUQEKHUIMB-SECBINFHSA-N 0 1 232.331 2.315 10 0 BEAEMN C[C@H](C(=O)[O-])[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000409427266 343800570 /nfs/dbraw/zinc/80/05/70/343800570.db2.gz IMXHXIJHFGVYBL-PWSUYJOCSA-N 0 1 234.299 2.082 10 0 BEAEMN CCn1c(C)nnc1CN1CCCC[C@H](C)C1 ZINC000187916641 259371031 /nfs/dbraw/zinc/37/10/31/259371031.db2.gz DGWKWPYLZHBTFR-NSHDSACASA-N 0 1 236.363 2.228 10 0 BEAEMN CC(C)c1[nH]nc(C2CCOCC2)c1C=O ZINC000409441280 343856286 /nfs/dbraw/zinc/85/62/86/343856286.db2.gz QPOKLBPQCPQYGJ-UHFFFAOYSA-N 0 1 222.288 2.240 10 0 BEAEMN OCCc1c(-c2ccccc2)[nH]nc1C1CC1 ZINC000409442113 343857489 /nfs/dbraw/zinc/85/74/89/343857489.db2.gz WRLATWMSVROYIH-UHFFFAOYSA-N 0 1 228.295 2.489 10 0 BEAEMN CCc1n[nH]c(-c2ccsc2)c1CO ZINC000409438671 343844942 /nfs/dbraw/zinc/84/49/42/343844942.db2.gz DYFREWHYFGMVBP-UHFFFAOYSA-N 0 1 208.286 2.193 10 0 BEAEMN CCc1n[nH]c(C2CCCC2)c1CCO ZINC000409440509 343852314 /nfs/dbraw/zinc/85/23/14/343852314.db2.gz NBWUERFOBPVXDM-UHFFFAOYSA-N 0 1 208.305 2.165 10 0 BEAEMN CCc1n[nH]c(-c2ccccc2)c1C(=O)OC ZINC000409442425 343858675 /nfs/dbraw/zinc/85/86/75/343858675.db2.gz ZTUWBDVZBPADHK-UHFFFAOYSA-N 0 1 230.267 2.426 10 0 BEAEMN CC1(Nc2nc[nH]c(=O)c2Cl)CCCC1 ZINC000165771257 343974661 /nfs/dbraw/zinc/97/46/61/343974661.db2.gz UCAZIBDRFLTAPL-UHFFFAOYSA-N 0 1 227.695 2.168 10 0 BEAEMN O=C1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccccc1)C2 ZINC000084310733 344190893 /nfs/dbraw/zinc/19/08/93/344190893.db2.gz WGWTUZFDBXXSMZ-OKILXGFUSA-N 0 1 229.323 2.488 10 0 BEAEMN CC(C)CCc1nc2c(C(C)C)n[nH]c2c(=O)[nH]1 ZINC000089212099 344245534 /nfs/dbraw/zinc/24/55/34/344245534.db2.gz LMQVNPQJRQCDEP-UHFFFAOYSA-N 0 1 248.330 2.358 10 0 BEAEMN C[C@@H]1C[C@H](C)N(CC(=O)c2ccco2)C1 ZINC000158062816 344359242 /nfs/dbraw/zinc/35/92/42/344359242.db2.gz VSHQLNQGZSCENQ-ZJUUUORDSA-N 0 1 207.273 2.193 10 0 BEAEMN CC(C)Oc1ccc(NC(=O)CN)cc1Cl ZINC000037042981 344486472 /nfs/dbraw/zinc/48/64/72/344486472.db2.gz BUNQFQVXCSMINB-UHFFFAOYSA-N 0 1 242.706 2.024 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127669886 344594497 /nfs/dbraw/zinc/59/44/97/344594497.db2.gz HCRYOTRSVIMTMT-PWSUYJOCSA-N 0 1 213.321 2.360 10 0 BEAEMN CCOC(=O)c1cc(O)c(C#N)c(Cl)c1 ZINC000396144060 344617531 /nfs/dbraw/zinc/61/75/31/344617531.db2.gz OFCBAORRLFQCDP-UHFFFAOYSA-N 0 1 225.631 2.094 10 0 BEAEMN CCOC(=O)Cc1cc(Cl)cc(C#N)c1O ZINC000396149574 344622774 /nfs/dbraw/zinc/62/27/74/344622774.db2.gz OWMUZUZOHSJTKR-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN C[C@@H](Nc1cccc(Cl)n1)c1nnc[nH]1 ZINC000230430213 344683534 /nfs/dbraw/zinc/68/35/34/344683534.db2.gz LEUKSQWWYDECPY-ZCFIWIBFSA-N 0 1 223.667 2.026 10 0 BEAEMN C[C@H](Nc1ccc(Cl)cn1)c1nnc[nH]1 ZINC000230430712 344683589 /nfs/dbraw/zinc/68/35/89/344683589.db2.gz LIOAJCUHWAJWKG-LURJTMIESA-N 0 1 223.667 2.026 10 0 BEAEMN O=Cc1cc(-c2ccc(F)cc2F)n[nH]1 ZINC000050478848 344695946 /nfs/dbraw/zinc/69/59/46/344695946.db2.gz RBHPWXZNOBYMOH-UHFFFAOYSA-N 0 1 208.167 2.167 10 0 BEAEMN O=C1N[C@H](c2ccccc2)CCNC12CCCC2 ZINC000115719739 344714865 /nfs/dbraw/zinc/71/48/65/344714865.db2.gz XYYMOYFZUSLABE-ZDUSSCGKSA-N 0 1 244.338 2.150 10 0 BEAEMN C[C@H]1C[N@@H+](CCC(F)(F)F)CCS1 ZINC000077281912 344815105 /nfs/dbraw/zinc/81/51/05/344815105.db2.gz AZUXXDBFLICEPO-ZETCQYMHSA-N 0 1 213.268 2.376 10 0 BEAEMN C[C@H]1CN(CCC(F)(F)F)CCS1 ZINC000077281912 344815106 /nfs/dbraw/zinc/81/51/06/344815106.db2.gz AZUXXDBFLICEPO-ZETCQYMHSA-N 0 1 213.268 2.376 10 0 BEAEMN C[C@H]1SCC[C@@]12NCC[C@@H](C)S2 ZINC000235321622 344886789 /nfs/dbraw/zinc/88/67/89/344886789.db2.gz RFAIRHLRQXDYIU-HLTSFMKQSA-N 0 1 203.376 2.323 10 0 BEAEMN NCC(=O)Nc1c(Cl)cc(F)cc1Cl ZINC000215577754 345380211 /nfs/dbraw/zinc/38/02/11/345380211.db2.gz RTQKCQRXOQHMDJ-UHFFFAOYSA-N 0 1 237.061 2.030 10 0 BEAEMN CCC[C@H](C)CN(CCC)CC(=O)OC ZINC000051323758 345401649 /nfs/dbraw/zinc/40/16/49/345401649.db2.gz JJBSQYOZMAGSMW-NSHDSACASA-N 0 1 215.337 2.308 10 0 BEAEMN C[C@@H](c1ccccn1)[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251272034 345492116 /nfs/dbraw/zinc/49/21/16/345492116.db2.gz OJFWZXBZSPXWIM-JQWIXIFHSA-N 0 1 234.299 2.082 10 0 BEAEMN CCN(CC)[C@H](C)C(=O)c1ccc(O)cc1 ZINC000034620247 345838594 /nfs/dbraw/zinc/83/85/94/345838594.db2.gz CXWSBLMBFXWAFW-SNVBAGLBSA-N 0 1 221.300 2.305 10 0 BEAEMN C/C=C(\CC)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000188674182 187312373 /nfs/dbraw/zinc/31/23/73/187312373.db2.gz WETQHRWQSWBRES-JNZVDCKRSA-N 0 1 248.330 2.215 10 0 BEAEMN Nc1cncc(Br)c1NCC1CC1 ZINC000236371906 346231554 /nfs/dbraw/zinc/23/15/54/346231554.db2.gz PALJSHZAKWWHJM-UHFFFAOYSA-N 0 1 242.120 2.248 10 0 BEAEMN Nc1cncc(Br)c1N1CCCC1 ZINC000236369735 346233091 /nfs/dbraw/zinc/23/30/91/346233091.db2.gz MYLUJSLDMPSUGO-UHFFFAOYSA-N 0 1 242.120 2.027 10 0 BEAEMN C[C@H]1C[C@H](C)CN(Cc2nc(CO)cs2)C1 ZINC000669379427 537979254 /nfs/dbraw/zinc/97/92/54/537979254.db2.gz ATZNRXVQGXCCER-UWVGGRQHSA-N 0 1 240.372 2.113 10 0 BEAEMN OCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000020188248 259390648 /nfs/dbraw/zinc/39/06/48/259390648.db2.gz WHUJHZMNZCQCMJ-CQSZACIVSA-N 0 1 231.295 2.341 10 0 BEAEMN Cc1cc(-c2nnc([C@H](C)N)s2)co1 ZINC000161856180 346501125 /nfs/dbraw/zinc/50/11/25/346501125.db2.gz QIKYXEFDZSSVMA-LURJTMIESA-N 0 1 209.274 2.126 10 0 BEAEMN C[C@@](N)(Cc1ccc(F)cc1)C(F)F ZINC000162691930 346535013 /nfs/dbraw/zinc/53/50/13/346535013.db2.gz YPPCDKBLNLQCMZ-SNVBAGLBSA-N 0 1 203.207 2.351 10 0 BEAEMN CN1CCN(c2cccc3ccc(O)cc32)CC1 ZINC000034483768 347149765 /nfs/dbraw/zinc/14/97/65/347149765.db2.gz ZQYZXIKTVQQEOY-UHFFFAOYSA-N 0 1 242.322 2.297 10 0 BEAEMN Cc1cccc(Oc2nccnc2CN)c1 ZINC000054378464 179176225 /nfs/dbraw/zinc/17/62/25/179176225.db2.gz SRVRZLCCACVJIM-UHFFFAOYSA-N 0 1 215.256 2.036 10 0 BEAEMN CN1CCC(C(=O)c2cccc(Cl)n2)CC1 ZINC000039187460 347183995 /nfs/dbraw/zinc/18/39/95/347183995.db2.gz MZMVFOGNZLABNZ-UHFFFAOYSA-N 0 1 238.718 2.260 10 0 BEAEMN Cc1nc(CN)sc1-c1nccs1 ZINC000669380806 537991643 /nfs/dbraw/zinc/99/16/43/537991643.db2.gz QFGKTGDCDRVFSH-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN Cc1ccccc1CNCc1cnccn1 ZINC000054766447 179282997 /nfs/dbraw/zinc/28/29/97/179282997.db2.gz IUQZPQAMURRUOB-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN CC[C@H](C)[S@@](=O)C1=C(O)CCCC1 ZINC000251400442 362869186 /nfs/dbraw/zinc/86/91/86/362869186.db2.gz YVQCXPZETAGBQG-GMOODISLSA-N 0 1 202.319 2.045 10 0 BEAEMN CCO[C@@H]1OC(=O)C=C1Cc1ccccc1 ZINC000223328612 348231173 /nfs/dbraw/zinc/23/11/73/348231173.db2.gz PYAIMHPXZOYNNS-CYBMUJFWSA-N 0 1 218.252 2.075 10 0 BEAEMN CCOC(=O)[C@@H](C)N(C)CCC1CCC1 ZINC000595375077 348232363 /nfs/dbraw/zinc/23/23/63/348232363.db2.gz MNGKHROLEOWULM-SNVBAGLBSA-N 0 1 213.321 2.060 10 0 BEAEMN Cc1cccnc1[C@H](N)c1cccs1 ZINC000043616544 179398398 /nfs/dbraw/zinc/39/83/98/179398398.db2.gz FSJRCDGVGIPQIU-SNVBAGLBSA-N 0 1 204.298 2.500 10 0 BEAEMN Cc1cccnc1[C@H]1NCCc2cc(O)ccc21 ZINC000038805223 179399785 /nfs/dbraw/zinc/39/97/85/179399785.db2.gz QNCOEDSGEFGFNB-HNNXBMFYSA-N 0 1 240.306 2.331 10 0 BEAEMN C[C@@H]1C[C@@]2(CS1)N[C@H](C)CCS2 ZINC000251751846 362906266 /nfs/dbraw/zinc/90/62/66/362906266.db2.gz SJCCXMLSQWYPQL-IWSPIJDZSA-N 0 1 203.376 2.323 10 0 BEAEMN C[Si](C)(C)CCSCc1nnc[nH]1 ZINC000725245958 538004196 /nfs/dbraw/zinc/00/41/96/538004196.db2.gz OFWAKVMPEAXAPV-UHFFFAOYSA-N 0 1 215.398 2.376 10 0 BEAEMN COC(=O)C1(N)CCC(C(C)(C)C)CC1 ZINC000037459678 348614621 /nfs/dbraw/zinc/61/46/21/348614621.db2.gz ONYLIZUWIFJTCH-UHFFFAOYSA-N 0 1 213.321 2.093 10 0 BEAEMN COC(=O)[C@@H]1CCCCN1CC1CC(C)(C)C1 ZINC000599250229 349131220 /nfs/dbraw/zinc/13/12/20/349131220.db2.gz JZRRACZTEIRLJQ-LBPRGKRZSA-N 0 1 239.359 2.450 10 0 BEAEMN Cc1[nH]ncc1CNc1cccnc1Cl ZINC000036982988 179859478 /nfs/dbraw/zinc/85/94/78/179859478.db2.gz IGUCTTKSROTEAG-UHFFFAOYSA-N 0 1 222.679 2.379 10 0 BEAEMN CN1CCc2ccccc2[C@@H]1c1ccc(N)nc1 ZINC000616585541 349369707 /nfs/dbraw/zinc/36/97/07/349369707.db2.gz BZHXSTINANRKQR-HNNXBMFYSA-N 0 1 239.322 2.071 10 0 BEAEMN Cc1nnc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)[nH]1 ZINC000163784434 180012498 /nfs/dbraw/zinc/01/24/98/180012498.db2.gz ZWMDRJOHYVEQIQ-WDEREUQCSA-N 0 1 248.330 2.268 10 0 BEAEMN Cc1nc([C@@H](C)N[C@@H]2CCO[C@@H]2C)cs1 ZINC000134061239 180037461 /nfs/dbraw/zinc/03/74/61/180037461.db2.gz MMFUUHVDEIOXLC-NQMVMOMDSA-N 0 1 226.345 2.280 10 0 BEAEMN Cc1nc([C@H](C)NCCO)sc1C(C)(C)C ZINC000045205561 180048881 /nfs/dbraw/zinc/04/88/81/180048881.db2.gz HOTWULUPRMXLSG-VIFPVBQESA-N 0 1 242.388 2.392 10 0 BEAEMN Cc1nc([C@H](N)[C@@H](C)c2ccccc2)no1 ZINC000041046477 180053087 /nfs/dbraw/zinc/05/30/87/180053087.db2.gz IKCCSWLAGTYITH-GZMMTYOYSA-N 0 1 217.272 2.182 10 0 BEAEMN Cc1ncc(Cn2c(N)nc3ccccc32)s1 ZINC000049534180 180161952 /nfs/dbraw/zinc/16/19/52/180161952.db2.gz PPMFQHXEBKXYPI-UHFFFAOYSA-N 0 1 244.323 2.432 10 0 BEAEMN Cc1[nH+]cn([C@@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000062757931 180289257 /nfs/dbraw/zinc/28/92/57/180289257.db2.gz VTLNIVNCSUDIRB-GHMZBOCLSA-N 0 1 222.288 2.316 10 0 BEAEMN Cc1[nH+]cn([C@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000062757932 180289839 /nfs/dbraw/zinc/28/98/39/180289839.db2.gz VTLNIVNCSUDIRB-MNOVXSKESA-N 0 1 222.288 2.316 10 0 BEAEMN CC[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H]1C(=O)[O-] ZINC000251859460 362956457 /nfs/dbraw/zinc/95/64/57/362956457.db2.gz SPUJASWARSQWRJ-VWYCJHECSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)Cc1n[nH]c(C2CCC2)c1CO ZINC000409439959 350482068 /nfs/dbraw/zinc/48/20/68/350482068.db2.gz LDNRDOQQSNQOGO-UHFFFAOYSA-N 0 1 208.305 2.368 10 0 BEAEMN CC(C)N(C)c1c(N)cncc1Br ZINC000232629590 350662503 /nfs/dbraw/zinc/66/25/03/350662503.db2.gz CTOVTXLUGIYKCG-UHFFFAOYSA-N 0 1 244.136 2.271 10 0 BEAEMN CN1CCCOC[C@@H]1c1cnnc2ccccc21 ZINC000616599623 350754688 /nfs/dbraw/zinc/75/46/88/350754688.db2.gz MJXWOFYMECLPMK-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)N1CCCC[C@H]1c1ncccn1 ZINC000616615085 350844817 /nfs/dbraw/zinc/84/48/17/350844817.db2.gz BRRSHXUWLGBYHA-NSHDSACASA-N 0 1 205.305 2.412 10 0 BEAEMN C[C@@H](CC(F)F)Nc1nc[nH]c(=O)c1Cl ZINC000306676176 350828346 /nfs/dbraw/zinc/82/83/46/350828346.db2.gz VIRKPVOUBLAHPR-BYPYZUCNSA-N 0 1 237.637 2.291 10 0 BEAEMN C[C@H](CC(F)F)Nc1nc[nH]c(=O)c1Cl ZINC000306676177 350828587 /nfs/dbraw/zinc/82/85/87/350828587.db2.gz VIRKPVOUBLAHPR-SCSAIBSYSA-N 0 1 237.637 2.291 10 0 BEAEMN CNC1(C(=O)c2ccccc2F)CCC1 ZINC000306733242 350903431 /nfs/dbraw/zinc/90/34/31/350903431.db2.gz STAYWRUNLPLLTG-UHFFFAOYSA-N 0 1 207.248 2.151 10 0 BEAEMN N[C@H](c1nccs1)[C@H]1CCCSC1 ZINC000306796649 351047315 /nfs/dbraw/zinc/04/73/15/351047315.db2.gz WVHHXVNHSOQDIF-YUMQZZPRSA-N 0 1 214.359 2.286 10 0 BEAEMN CC(C)(C)N1CCOC[C@H]1c1ccc(CO)cc1 ZINC000616641167 351148100 /nfs/dbraw/zinc/14/81/00/351148100.db2.gz CJMRZIVGQYZEII-AWEZNQCLSA-N 0 1 249.354 2.351 10 0 BEAEMN CC(C)N1CCOC[C@H]1c1cccc(N)c1 ZINC000616641724 351151036 /nfs/dbraw/zinc/15/10/36/351151036.db2.gz NHFTZCFUIVKDPR-ZDUSSCGKSA-N 0 1 220.316 2.051 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616641744 351151498 /nfs/dbraw/zinc/15/14/98/351151498.db2.gz OBTXTQAYCMIMND-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN N[C@@H](c1cccs1)c1ccncc1F ZINC000133552587 351158376 /nfs/dbraw/zinc/15/83/76/351158376.db2.gz DYRHABGITIXMSF-SNVBAGLBSA-N 0 1 208.261 2.330 10 0 BEAEMN CC(C)N1CCO[C@@H](c2ccccc2N)C1 ZINC000616644490 351163315 /nfs/dbraw/zinc/16/33/15/351163315.db2.gz CWDDWJXMOHOGTN-CYBMUJFWSA-N 0 1 220.316 2.051 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](c2cccc(CO)c2)C1 ZINC000616646324 351170268 /nfs/dbraw/zinc/17/02/68/351170268.db2.gz ZPMTYISEDPVKPL-CQSZACIVSA-N 0 1 249.354 2.351 10 0 BEAEMN CC[N@H+]1CCCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616653708 351193820 /nfs/dbraw/zinc/19/38/20/351193820.db2.gz VXRTWNMDKIFDTA-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC[N@H+]1CCCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616648815 351177092 /nfs/dbraw/zinc/17/70/92/351177092.db2.gz CYFWYWXHUDBZNX-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CC[N@H+]1CCCOC[C@H]1c1ccccc1C(=O)[O-] ZINC000616649636 351178867 /nfs/dbraw/zinc/17/88/67/351178867.db2.gz OLCKPADRVQPWSE-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN COc1ccccc1[C@@H]1CN(C)CCCO1 ZINC000616652764 351185930 /nfs/dbraw/zinc/18/59/30/351185930.db2.gz WGSLRAQYZYXMRZ-ZDUSSCGKSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)N1CCOC[C@@H]1c1cccc(N)c1 ZINC000616637486 351133073 /nfs/dbraw/zinc/13/30/73/351133073.db2.gz NHFTZCFUIVKDPR-CYBMUJFWSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H]1C[C@H]([NH2+]Cc2cnn[n-]2)CC(C)(C)C1 ZINC000398405298 351137303 /nfs/dbraw/zinc/13/73/03/351137303.db2.gz OSTIKRSZPIKDPV-ZJUUUORDSA-N 0 1 222.336 2.109 10 0 BEAEMN CC[N@H+]1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616679760 351245950 /nfs/dbraw/zinc/24/59/50/351245950.db2.gz OGTJORDHLMLTFG-OAHLLOKOSA-N 0 1 239.322 2.444 10 0 BEAEMN CCN1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616679760 351245955 /nfs/dbraw/zinc/24/59/55/351245955.db2.gz OGTJORDHLMLTFG-OAHLLOKOSA-N 0 1 239.322 2.444 10 0 BEAEMN CC(=O)N1C[C@@H](c2cnc[nH]2)Cc2ccccc21 ZINC000616689213 351259152 /nfs/dbraw/zinc/25/91/52/351259152.db2.gz AXWFMHOTEVKLTJ-LBPRGKRZSA-N 0 1 241.294 2.103 10 0 BEAEMN CN1CCOCC[C@H]1c1ccccc1F ZINC000616656169 351202299 /nfs/dbraw/zinc/20/22/99/351202299.db2.gz CBXXLXVVBFELLD-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CCN1CCOC[C@H](c2ccccc2F)C1 ZINC000616660664 351212918 /nfs/dbraw/zinc/21/29/18/351212918.db2.gz PDFWKYWDLONLEA-LLVKDONJSA-N 0 1 223.291 2.261 10 0 BEAEMN CN[C@H](C)c1occc1Br ZINC000068982561 351320106 /nfs/dbraw/zinc/32/01/06/351320106.db2.gz CNEBHUSTLZSXMN-RXMQYKEDSA-N 0 1 204.067 2.323 10 0 BEAEMN Nc1nnc(Nc2ccsc2Cl)o1 ZINC000307022966 351427913 /nfs/dbraw/zinc/42/79/13/351427913.db2.gz VBDUCQDYHNCHIV-UHFFFAOYSA-N 0 1 216.653 2.110 10 0 BEAEMN CC1(Nc2cc(C(=O)[O-])cc[nH+]2)CCC1 ZINC000228870649 351453531 /nfs/dbraw/zinc/45/35/31/351453531.db2.gz YIKRIJBMNJSYMP-UHFFFAOYSA-N 0 1 206.245 2.134 10 0 BEAEMN Cc1cnc(N[C@@H](C)C(F)F)c(N)c1 ZINC000307012235 351420136 /nfs/dbraw/zinc/42/01/36/351420136.db2.gz KRJMEOPHNIYWQN-LURJTMIESA-N 0 1 201.220 2.038 10 0 BEAEMN O=C1COc2c1c(F)c(F)cc2Br ZINC000307012445 351420503 /nfs/dbraw/zinc/42/05/03/351420503.db2.gz PXHWRIHWTHLIPP-UHFFFAOYSA-N 0 1 249.010 2.302 10 0 BEAEMN Clc1ncccc1N[C@@H]1CN2CCC1CC2 ZINC000036983031 180602388 /nfs/dbraw/zinc/60/23/88/180602388.db2.gz CFELCZZCTRTHIW-LLVKDONJSA-N 0 1 237.734 2.241 10 0 BEAEMN COC(=O)[C@]1(N)C[C@H]2CC[C@@](C)(C1)C2(C)C ZINC000606303503 351559610 /nfs/dbraw/zinc/55/96/10/351559610.db2.gz FZSDUQMRAYLQIH-ICCXJUOJSA-N 0 1 225.332 2.093 10 0 BEAEMN O=C([O-])c1ccc(C[NH+]2CCC2)c(Cl)c1 ZINC000307254272 351788503 /nfs/dbraw/zinc/78/85/03/351788503.db2.gz XICPXLZRSKKYTH-UHFFFAOYSA-N 0 1 225.675 2.244 10 0 BEAEMN CC[C@H](N)C(=O)c1cc(F)c(F)cc1F ZINC000307341818 352091659 /nfs/dbraw/zinc/09/16/59/352091659.db2.gz VHCLGEUMKGMAHO-VIFPVBQESA-N 0 1 217.190 2.024 10 0 BEAEMN CC(C)[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1 ZINC000035732007 187595214 /nfs/dbraw/zinc/59/52/14/187595214.db2.gz JZPDHGYTUVJYMJ-UHFFFAOYSA-N 0 1 237.299 2.104 10 0 BEAEMN CN[C@H](C)c1ncc(Br)s1 ZINC000307458125 352609550 /nfs/dbraw/zinc/60/95/50/352609550.db2.gz DGCRCGIQVGUWSS-SCSAIBSYSA-N 0 1 221.123 2.186 10 0 BEAEMN C[C@H]1Oc2c(c(F)ccc2Cl)C1=O ZINC000307586156 352661278 /nfs/dbraw/zinc/66/12/78/352661278.db2.gz OWAJKEJFTNBZRD-SCSAIBSYSA-N 0 1 200.596 2.443 10 0 BEAEMN CC1Oc2c(c(F)ccc2Cl)C1=O ZINC000307586156 352661279 /nfs/dbraw/zinc/66/12/79/352661279.db2.gz OWAJKEJFTNBZRD-SCSAIBSYSA-N 0 1 200.596 2.443 10 0 BEAEMN Cc1cc(CNC(=O)C(F)(F)F)cs1 ZINC000307501245 352629781 /nfs/dbraw/zinc/62/97/81/352629781.db2.gz UXKCLQNEXHFUKS-UHFFFAOYSA-N 0 1 223.219 2.235 10 0 BEAEMN OCc1cnc(-c2ccsc2Cl)[nH]1 ZINC000307649903 352741122 /nfs/dbraw/zinc/74/11/22/352741122.db2.gz JEUXPKIXNFEORT-UHFFFAOYSA-N 0 1 214.677 2.284 10 0 BEAEMN FC(F)(F)NC[C@H]1CCCCN1C1CC1 ZINC000095077052 180888171 /nfs/dbraw/zinc/88/81/71/180888171.db2.gz KRSGXPURGXELAI-SECBINFHSA-N 0 1 222.254 2.113 10 0 BEAEMN O[C@H]1CCC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225328666 538112064 /nfs/dbraw/zinc/11/20/64/538112064.db2.gz ZKMMMLZYEJFOTE-YUMQZZPRSA-N 0 1 246.763 2.190 10 0 BEAEMN O[C@@H]1CCC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225328566 538112150 /nfs/dbraw/zinc/11/21/50/538112150.db2.gz ZKMMMLZYEJFOTE-HTQZYQBOSA-N 0 1 246.763 2.190 10 0 BEAEMN COc1ccc(F)cc1C(=O)[C@H](N)C(C)C ZINC000036161656 188278721 /nfs/dbraw/zinc/27/87/21/188278721.db2.gz NKSYXMLKKMNHFB-LLVKDONJSA-N 0 1 225.263 2.000 10 0 BEAEMN COc1ccc([C@H](N)c2ccoc2)c(F)c1 ZINC000036766498 188286156 /nfs/dbraw/zinc/28/61/56/188286156.db2.gz FZYQIMZGWUKPLU-GFCCVEGCSA-N 0 1 221.231 2.475 10 0 BEAEMN CC(C)(C)[C@@H]1CCCC[C@@]1(N)c1ncon1 ZINC000036762009 188286495 /nfs/dbraw/zinc/28/64/95/188286495.db2.gz GEWUGPBKFFGLBS-CABZTGNLSA-N 0 1 223.320 2.460 10 0 BEAEMN Cc1nccc(CNCc2ccccc2)n1 ZINC000037997681 188290017 /nfs/dbraw/zinc/29/00/17/188290017.db2.gz OUGMPLZFYIXZQF-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN CC(C)(C)c1nnc(-c2ccccn2)[nH]1 ZINC000090764678 188304898 /nfs/dbraw/zinc/30/48/98/188304898.db2.gz XIHDQQFQADAUCR-UHFFFAOYSA-N 0 1 202.261 2.164 10 0 BEAEMN CC(C)(C)c1nc(-c2ccccn2)n[nH]1 ZINC000090764678 188304900 /nfs/dbraw/zinc/30/49/00/188304900.db2.gz XIHDQQFQADAUCR-UHFFFAOYSA-N 0 1 202.261 2.164 10 0 BEAEMN CC(C)(C)[C@H]([NH3+])c1nc2c(c(=O)[n-]1)CCCCC2 ZINC000104062021 188323524 /nfs/dbraw/zinc/32/35/24/188323524.db2.gz GQZBWUYQKXOULG-LLVKDONJSA-N 0 1 249.358 2.085 10 0 BEAEMN FC[C@@H]1Cc2ccc(Br)cc2CN1 ZINC000013517600 180939333 /nfs/dbraw/zinc/93/93/33/180939333.db2.gz KJOCLAIPXOCSLQ-JTQLQIEISA-N 0 1 244.107 2.433 10 0 BEAEMN CC(C)C[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000121509644 188329331 /nfs/dbraw/zinc/32/93/31/188329331.db2.gz GANHPBUGQIRKSH-WDEREUQCSA-N 0 1 249.358 2.380 10 0 BEAEMN CN(C)c1nc([C@H]2CCCCN2)cs1 ZINC000165733439 353587169 /nfs/dbraw/zinc/58/71/69/353587169.db2.gz YILIWMXEEGXMGM-MRVPVSSYSA-N 0 1 211.334 2.024 10 0 BEAEMN Fc1ccccc1NCCN1CCSCC1 ZINC000053374287 181014186 /nfs/dbraw/zinc/01/41/86/181014186.db2.gz RBKRQGRGZNJXAF-UHFFFAOYSA-N 0 1 240.347 2.286 10 0 BEAEMN COC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000224734337 363263335 /nfs/dbraw/zinc/26/33/35/363263335.db2.gz FNEHDLWTPJZEPG-NEPJUHHUSA-N 0 1 223.316 2.123 10 0 BEAEMN COC(=O)[C@@H]1CCCCN1[C@@H]1C=CCCC1 ZINC000224734337 363263343 /nfs/dbraw/zinc/26/33/43/363263343.db2.gz FNEHDLWTPJZEPG-NEPJUHHUSA-N 0 1 223.316 2.123 10 0 BEAEMN Cc1nnc([C@@H](C)N2CC3(CCC3)C[C@@H]2C)[nH]1 ZINC000334645877 354435781 /nfs/dbraw/zinc/43/57/81/354435781.db2.gz PQMYGWOJJRBDTF-VHSXEESVSA-N 0 1 234.347 2.439 10 0 BEAEMN C[C@@H]1CC[C@@](N)(C(=O)OC(C)(C)C)C[C@H]1C ZINC000521401220 259455093 /nfs/dbraw/zinc/45/50/93/259455093.db2.gz ZSZACOUMQUPYON-BREBYQMCSA-N 0 1 227.348 2.482 10 0 BEAEMN C[C@@H](c1nncn1C)[N@H+]1CC2(CCC2)C[C@H]1C ZINC000335085683 354619432 /nfs/dbraw/zinc/61/94/32/354619432.db2.gz LDCXXBKQAMRNOG-MNOVXSKESA-N 0 1 234.347 2.141 10 0 BEAEMN C[C@@H](c1nncn1C)N1CC2(CCC2)C[C@H]1C ZINC000335085683 354619435 /nfs/dbraw/zinc/61/94/35/354619435.db2.gz LDCXXBKQAMRNOG-MNOVXSKESA-N 0 1 234.347 2.141 10 0 BEAEMN CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000040502181 358493382 /nfs/dbraw/zinc/49/33/82/358493382.db2.gz FKGLHLPHZGNEAS-STQMWFEESA-N 0 1 233.359 2.217 10 0 BEAEMN CCCC[C@H](C(=O)OC)N1C[C@H]2CCC[C@@H]21 ZINC000350705136 355744523 /nfs/dbraw/zinc/74/45/23/355744523.db2.gz YXPKJYBHVINBNT-GRYCIOLGSA-N 0 1 225.332 2.203 10 0 BEAEMN CCCC[C@H](C(=O)OC)N1C[C@@H]2CCC[C@@H]21 ZINC000350705139 355744537 /nfs/dbraw/zinc/74/45/37/355744537.db2.gz YXPKJYBHVINBNT-SDDRHHMPSA-N 0 1 225.332 2.203 10 0 BEAEMN COc1nscc1[C@H]1CCC[C@@H](C)N1 ZINC000675059515 538484132 /nfs/dbraw/zinc/48/41/32/538484132.db2.gz QRSKRXJRXVHEOK-VXNVDRBHSA-N 0 1 212.318 2.355 10 0 BEAEMN CC(C)C(=O)CCCN1CCN(C(C)C)CC1 ZINC000675075946 538510848 /nfs/dbraw/zinc/51/08/48/538510848.db2.gz XNKNPFWAWNKYCP-UHFFFAOYSA-N 0 1 240.391 2.018 10 0 BEAEMN C[C@H](Nc1ncnc2[nH]cnc21)c1ccco1 ZINC000035238118 356704372 /nfs/dbraw/zinc/70/43/72/356704372.db2.gz AAYKRAHMIYMBBV-ZETCQYMHSA-N 0 1 229.243 2.119 10 0 BEAEMN CN[C@H]1COc2c1c(F)ccc2Br ZINC000160403993 356705848 /nfs/dbraw/zinc/70/58/48/356705848.db2.gz WJKCOVAMBNGJQD-ZETCQYMHSA-N 0 1 246.079 2.241 10 0 BEAEMN NC1(C(=O)Cc2cccc(F)c2Cl)CC1 ZINC000226435368 357148432 /nfs/dbraw/zinc/14/84/32/357148432.db2.gz DTOVARQGOGLTIC-UHFFFAOYSA-N 0 1 227.666 2.082 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000211511368 357182475 /nfs/dbraw/zinc/18/24/75/357182475.db2.gz XJZKNRYQYDOWLZ-YPMHNXCESA-N 0 1 233.311 2.229 10 0 BEAEMN NNc1nnc(Cl)c2c1C1CCC2CC1 ZINC000015042898 357338934 /nfs/dbraw/zinc/33/89/34/357338934.db2.gz OKYVDAQDLSUHPJ-UHFFFAOYSA-N 0 1 224.695 2.170 10 0 BEAEMN C[N@@H+](CCC(=O)[O-])C[C@H]1CCCCC1(F)F ZINC000394570246 357360117 /nfs/dbraw/zinc/36/01/17/357360117.db2.gz RJBSYGJDROMYOD-SECBINFHSA-N 0 1 235.274 2.218 10 0 BEAEMN Cc1cnc([C@@H](C)NCCc2ccncc2)o1 ZINC000231742484 357624207 /nfs/dbraw/zinc/62/42/07/357624207.db2.gz YPZANFBMPVZWLE-LLVKDONJSA-N 0 1 231.299 2.271 10 0 BEAEMN Cc1cc(C)cc(CN2CCCNC(=O)[C@H]2C)c1 ZINC000189083087 357604511 /nfs/dbraw/zinc/60/45/11/357604511.db2.gz ATUQZMIQLYFQOC-CYBMUJFWSA-N 0 1 246.354 2.014 10 0 BEAEMN CCC(=O)CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000232870770 357686622 /nfs/dbraw/zinc/68/66/22/357686622.db2.gz TXBLQVFDHPRXOY-KBPBESRZSA-N 0 1 239.359 2.389 10 0 BEAEMN CC[C@@H](C)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000190439484 357708182 /nfs/dbraw/zinc/70/81/82/357708182.db2.gz PCSFZXXFTDACEQ-CHWSQXEVSA-N 0 1 238.375 2.119 10 0 BEAEMN Cc1cccc([C@H](C)N2CCCN(C)C(=O)C2)c1 ZINC000191074527 357746895 /nfs/dbraw/zinc/74/68/95/357746895.db2.gz AKYDPVYIKIZLPI-ZDUSSCGKSA-N 0 1 246.354 2.220 10 0 BEAEMN CC(=O)OCC(=O)c1ccc(O)c2ccccc12 ZINC000584603788 358262707 /nfs/dbraw/zinc/26/27/07/358262707.db2.gz OQUXBARUAXAVTE-UHFFFAOYSA-N 0 1 244.246 2.291 10 0 BEAEMN CC(C)(C)OC(=O)CC(=O)CC1CCOCC1 ZINC000584625830 358294974 /nfs/dbraw/zinc/29/49/74/358294974.db2.gz VHOVTXZATGBERQ-UHFFFAOYSA-N 0 1 242.315 2.104 10 0 BEAEMN C=Cc1c(CN)onc1OCc1ccccc1 ZINC000584641196 358327140 /nfs/dbraw/zinc/32/71/40/358327140.db2.gz QCLRFUAWCLNXAO-UHFFFAOYSA-N 0 1 230.267 2.355 10 0 BEAEMN CC(C)[C@H]1CCN(CC(=O)c2cccn2C)C1 ZINC000134982272 358813448 /nfs/dbraw/zinc/81/34/48/358813448.db2.gz FYMSSUOGPIYXAQ-LBPRGKRZSA-N 0 1 234.343 2.186 10 0 BEAEMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C(C)(C)C ZINC000135510273 358842282 /nfs/dbraw/zinc/84/22/82/358842282.db2.gz BSUOXOBRXWVAOI-VHSXEESVSA-N 0 1 249.358 2.380 10 0 BEAEMN C[C@@H](NCC(=O)NC(C)(C)C)c1ccsc1 ZINC000061363523 358933239 /nfs/dbraw/zinc/93/32/39/358933239.db2.gz KCSZAHGRXFTZOQ-SECBINFHSA-N 0 1 240.372 2.313 10 0 BEAEMN CNC(C)(C)C(=O)c1occc1Br ZINC000169187857 359700970 /nfs/dbraw/zinc/70/09/70/359700970.db2.gz ZDTDXSAUVCNPKV-UHFFFAOYSA-N 0 1 246.104 2.223 10 0 BEAEMN CC[C@H]1CN=C(NCc2cscn2)S1 ZINC000230007509 359807340 /nfs/dbraw/zinc/80/73/40/359807340.db2.gz SESNANHCXREXOP-QMMMGPOBSA-N 0 1 227.358 2.114 10 0 BEAEMN N[C@H](c1ccc[nH]1)c1cncc(Cl)c1 ZINC000306490655 360206633 /nfs/dbraw/zinc/20/66/33/360206633.db2.gz ZDXWGJSZURBHSD-JTQLQIEISA-N 0 1 207.664 2.111 10 0 BEAEMN C[C@@H]1CSCCN1[C@@H]1CCCCCC1=O ZINC000069761250 360408860 /nfs/dbraw/zinc/40/88/60/360408860.db2.gz PTDABVQXBKVNPG-GHMZBOCLSA-N 0 1 227.373 2.326 10 0 BEAEMN C[C@@H]1CCN(Cc2ccnc(Cl)n2)[C@H]1C ZINC000306558713 360432932 /nfs/dbraw/zinc/43/29/32/360432932.db2.gz PPHMVVVDNYLLFZ-BDAKNGLRSA-N 0 1 225.723 2.360 10 0 BEAEMN CC1=NC(=S)N([C@H]2CSC[C@H]2C)C1 ZINC000306584092 360483908 /nfs/dbraw/zinc/48/39/08/360483908.db2.gz PWQNURJVCGITRN-SVRRBLITSA-N 0 1 214.359 2.404 10 0 BEAEMN Cc1nc(-c2ccoc2Cl)oc1CN ZINC000306618201 361193408 /nfs/dbraw/zinc/19/34/08/361193408.db2.gz RXHSPYAHEMMYAO-UHFFFAOYSA-N 0 1 212.636 2.355 10 0 BEAEMN NC1(C(=O)OC2CCCC2)CCCCC1 ZINC000048632215 181329076 /nfs/dbraw/zinc/32/90/76/181329076.db2.gz QLGZDGPFLPQOSE-UHFFFAOYSA-N 0 1 211.305 2.134 10 0 BEAEMN NC1(c2nc3ccc(F)cc3s2)CC1 ZINC000082944238 181334626 /nfs/dbraw/zinc/33/46/26/181334626.db2.gz UNSYYHXMBBJBLX-UHFFFAOYSA-N 0 1 208.261 2.383 10 0 BEAEMN C[C@H]1[C@H](CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000139095624 361567437 /nfs/dbraw/zinc/56/74/37/361567437.db2.gz JVJBNQGSJULIFC-AAEUAGOBSA-N 0 1 233.311 2.372 10 0 BEAEMN Cc1nn(C)c(C)c1-c1csc(=S)[nH]1 ZINC000070598220 361581133 /nfs/dbraw/zinc/58/11/33/361581133.db2.gz OGKTWDQQFZPLFB-UHFFFAOYSA-N 0 1 225.342 2.449 10 0 BEAEMN CCCOc1ccc(CNCc2cn[nH]c2)cc1 ZINC000038006037 361661560 /nfs/dbraw/zinc/66/15/60/361661560.db2.gz USJPFCRYMQOJCQ-UHFFFAOYSA-N 0 1 245.326 2.488 10 0 BEAEMN CC1CCN(Cc2ccc(C=O)o2)CC1 ZINC000161262032 363865778 /nfs/dbraw/zinc/86/57/78/363865778.db2.gz WQKQLUISOVATOD-UHFFFAOYSA-N 0 1 207.273 2.324 10 0 BEAEMN Cc1cnc(C(C)(C)N[C@H]2CCOC2)s1 ZINC000134276767 364397194 /nfs/dbraw/zinc/39/71/94/364397194.db2.gz RUWTZENVAHGURM-VIFPVBQESA-N 0 1 226.345 2.065 10 0 BEAEMN [NH3+]CCCCCCCCCC[P@](=O)([O-])O ZINC000096394985 181375488 /nfs/dbraw/zinc/37/54/88/181375488.db2.gz JXCXYNMSRUFZJX-UHFFFAOYSA-N 0 1 237.280 2.244 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000173809124 365448634 /nfs/dbraw/zinc/44/86/34/365448634.db2.gz OOEVLCLTJMIMDS-STQMWFEESA-N 0 1 248.374 2.371 10 0 BEAEMN Cc1noc([C@@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185566 367494737 /nfs/dbraw/zinc/49/47/37/367494737.db2.gz BPLVOZODKDPKHV-APHKKCJPSA-N 0 1 221.304 2.217 10 0 BEAEMN C[N@@H+](Cc1nc(C(=O)[O-])co1)C1CCCCC1 ZINC000387078842 368047675 /nfs/dbraw/zinc/04/76/75/368047675.db2.gz ZEAHUPRTMARFMR-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN CNc1cc(Oc2ccc(O)c(N)c2)ccn1 ZINC000140996537 368345066 /nfs/dbraw/zinc/34/50/66/368345066.db2.gz SZYBPCRDGYMGPG-UHFFFAOYSA-N 0 1 231.255 2.203 10 0 BEAEMN CCc1nnc(CN[C@H](C)C(C)(C)C)o1 ZINC000114474472 368941385 /nfs/dbraw/zinc/94/13/85/368941385.db2.gz JLHDJGZZIYNSSJ-MRVPVSSYSA-N 0 1 211.309 2.156 10 0 BEAEMN NCc1cc(COc2ccc(Cl)cc2)on1 ZINC000052665088 181475313 /nfs/dbraw/zinc/47/53/13/181475313.db2.gz VYNSPBJHQBTMNC-UHFFFAOYSA-N 0 1 238.674 2.366 10 0 BEAEMN N[C@H](Cn1cccn1)c1cc2ccccc2o1 ZINC000019398117 181628618 /nfs/dbraw/zinc/62/86/18/181628618.db2.gz QDYBQNNWZFMSLE-LLVKDONJSA-N 0 1 227.267 2.329 10 0 BEAEMN C[C@@H]1CCC[C@@](N)(C(=O)c2ccco2)C1 ZINC000226467899 371671432 /nfs/dbraw/zinc/67/14/32/371671432.db2.gz YMVMJVGFOHEHMT-SKDRFNHKSA-N 0 1 207.273 2.370 10 0 BEAEMN Nc1nc(-c2ccc(Br)o2)c[nH]1 ZINC000131871151 371700736 /nfs/dbraw/zinc/70/07/36/371700736.db2.gz SKJBQDGGHGIJSV-UHFFFAOYSA-N 0 1 228.049 2.014 10 0 BEAEMN CN[C@@H](C)C(=O)c1cc2ccccc2o1 ZINC000132141001 371757638 /nfs/dbraw/zinc/75/76/38/371757638.db2.gz IQMHLPGGRACTOE-QMMMGPOBSA-N 0 1 203.241 2.223 10 0 BEAEMN Cc1nc(C[C@H](N)c2ccco2)cs1 ZINC000057495421 371850966 /nfs/dbraw/zinc/85/09/66/371850966.db2.gz QZGVZOZYERRKSW-VIFPVBQESA-N 0 1 208.286 2.287 10 0 BEAEMN C[C@@H]1[C@H](C)SCCN1CC(=O)C(C)(C)C ZINC000132579350 371864665 /nfs/dbraw/zinc/86/46/65/371864665.db2.gz LFIWGJYQUSBQSK-ZJUUUORDSA-N 0 1 229.389 2.427 10 0 BEAEMN CC[N@H+]1CCc2c(N)c(Cl)sc2C1 ZINC000132999454 371965342 /nfs/dbraw/zinc/96/53/42/371965342.db2.gz ZIDDPBUDROGFMH-UHFFFAOYSA-N 0 1 216.737 2.362 10 0 BEAEMN CCN1CCc2c(N)c(Cl)sc2C1 ZINC000132999454 371965351 /nfs/dbraw/zinc/96/53/51/371965351.db2.gz ZIDDPBUDROGFMH-UHFFFAOYSA-N 0 1 216.737 2.362 10 0 BEAEMN CCCNC(=N)c1ncccc1Br ZINC000133375398 372034111 /nfs/dbraw/zinc/03/41/11/372034111.db2.gz CCTHMFMEFSMIBP-UHFFFAOYSA-N 0 1 242.120 2.169 10 0 BEAEMN C[N@@H+](C1CCC1)C1(C(=O)[O-])CCCCC1 ZINC000307689269 372137265 /nfs/dbraw/zinc/13/72/65/372137265.db2.gz JUECOEOYQQMMAX-UHFFFAOYSA-N 0 1 211.305 2.258 10 0 BEAEMN O=C(C[C@H]1C=CCC1)N1CCN2CCCC[C@H]2C1 ZINC000195086015 182023053 /nfs/dbraw/zinc/02/30/53/182023053.db2.gz JLDXYTUMIOQLNF-KBPBESRZSA-N 0 1 248.370 2.039 10 0 BEAEMN CSC[C@@H](N)c1occc1Br ZINC000068982989 373101494 /nfs/dbraw/zinc/10/14/94/373101494.db2.gz SUNWXTUKFVXHMT-ZCFIWIBFSA-N 0 1 236.134 2.405 10 0 BEAEMN CCn1nccc1[C@H](N)c1cccs1 ZINC000069024859 373107980 /nfs/dbraw/zinc/10/79/80/373107980.db2.gz AJTKCEFWMREXFN-JTQLQIEISA-N 0 1 207.302 2.013 10 0 BEAEMN CCN[C@H](C)c1cn(Cc2cccc(F)c2)nn1 ZINC000381423440 374118469 /nfs/dbraw/zinc/11/84/69/374118469.db2.gz CGWNOTULPCXSAX-SNVBAGLBSA-N 0 1 248.305 2.136 10 0 BEAEMN CNc1cc(NC(=O)OC(C)(C)C)ncc1N ZINC000143910806 374258440 /nfs/dbraw/zinc/25/84/40/374258440.db2.gz VMARMCHCLBKCBY-UHFFFAOYSA-N 0 1 238.291 2.053 10 0 BEAEMN O[C@@H](CN1CCCCC1)c1cc(F)cc(F)c1 ZINC000070459497 183175793 /nfs/dbraw/zinc/17/57/93/183175793.db2.gz PNGPREBFAVWHQX-ZDUSSCGKSA-N 0 1 241.281 2.484 10 0 BEAEMN Oc1ccc2c(c1)CCN[C@@H]2c1ccccn1 ZINC000003703151 183280409 /nfs/dbraw/zinc/28/04/09/183280409.db2.gz WHQICCPCPKXDJU-AWEZNQCLSA-N 0 1 226.279 2.022 10 0 BEAEMN Oc1ccccc1-c1n[nH]c(-c2cccnc2)n1 ZINC000005998591 183299402 /nfs/dbraw/zinc/29/94/02/183299402.db2.gz KNNFVHZCUIHELG-UHFFFAOYSA-N 0 1 238.250 2.239 10 0 BEAEMN S=C(Nc1ccc2nc[nH]c2c1)N1CCCC1 ZINC000089195176 183311613 /nfs/dbraw/zinc/31/16/13/183311613.db2.gz GOBHMBXZFQXBLT-UHFFFAOYSA-N 0 1 246.339 2.356 10 0 BEAEMN CCCNCC(=O)c1cc(F)ccc1OC ZINC000049820000 169255491 /nfs/dbraw/zinc/25/54/91/169255491.db2.gz WQUPZQDIIQOSAP-UHFFFAOYSA-N 0 1 225.263 2.017 10 0 BEAEMN c1cc2c(s1)CCC[C@@H]2NC1COC1 ZINC000082488670 183373129 /nfs/dbraw/zinc/37/31/29/183373129.db2.gz YIROUJDMFFZSLK-JTQLQIEISA-N 0 1 209.314 2.114 10 0 BEAEMN CCCN[C@H](C)c1nc(-c2cccnc2)no1 ZINC000109495247 169288195 /nfs/dbraw/zinc/28/81/95/169288195.db2.gz BPXIJLDIMUBSOA-SECBINFHSA-N 0 1 232.287 2.192 10 0 BEAEMN CCCN[C@H](c1cncnc1)c1ncccc1C ZINC000052887412 169290578 /nfs/dbraw/zinc/29/05/78/169290578.db2.gz JGUMFEPCXPUWMG-CQSZACIVSA-N 0 1 242.326 2.269 10 0 BEAEMN CCCO[C@H]1CCC[N@H+]([C@@H](C)CCC(=O)[O-])C1 ZINC000050957094 169312628 /nfs/dbraw/zinc/31/26/28/169312628.db2.gz VTCOWEJXPIHCQE-RYUDHWBXSA-N 0 1 243.347 2.131 10 0 BEAEMN CCCN[C@]1(c2nccs2)CCSC1 ZINC000041061340 169293372 /nfs/dbraw/zinc/29/33/72/169293372.db2.gz KMVPMNRISXDCJR-SNVBAGLBSA-N 0 1 228.386 2.475 10 0 BEAEMN CCCOc1cccc(-c2nnc(CNC)o2)c1 ZINC000061668441 169324082 /nfs/dbraw/zinc/32/40/82/169324082.db2.gz LQZIEWAMWMSILG-UHFFFAOYSA-N 0 1 247.298 2.245 10 0 BEAEMN CCC[C@@H](C)[N@@H+](C)Cc1cccnc1C(=O)[O-] ZINC000062752520 169365713 /nfs/dbraw/zinc/36/57/13/169365713.db2.gz FBJXACNNJBTRMA-SNVBAGLBSA-N 0 1 236.315 2.400 10 0 BEAEMN CCC[C@@H](C(=O)Nc1cc(C)ns1)N(C)C ZINC000127719036 169346424 /nfs/dbraw/zinc/34/64/24/169346424.db2.gz BUPDYXCQVYRNKQ-VIFPVBQESA-N 0 1 241.360 2.120 10 0 BEAEMN CCC[C@@H](N)c1noc(-c2ccoc2)n1 ZINC000041052516 169395153 /nfs/dbraw/zinc/39/51/53/169395153.db2.gz MQOIPMZNYCDABG-MRVPVSSYSA-N 0 1 207.233 2.130 10 0 BEAEMN CN(C)C[C@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000575622613 383877976 /nfs/dbraw/zinc/87/79/76/383877976.db2.gz XSUCJUFRUZLKAZ-CQSZACIVSA-N 0 1 236.334 2.162 10 0 BEAEMN Cc1ccc(CNCc2cncnc2)cc1 ZINC000054766992 383919219 /nfs/dbraw/zinc/91/92/19/383919219.db2.gz ORTUWNKZTOADEO-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN Fc1ccc(Br)c2c1CNCCO2 ZINC000158532353 384001907 /nfs/dbraw/zinc/00/19/07/384001907.db2.gz MSSKRUCEKCCWBM-UHFFFAOYSA-N 0 1 246.079 2.070 10 0 BEAEMN CCCCC(=O)Nc1nccc2[nH]cnc21 ZINC000089203054 383947662 /nfs/dbraw/zinc/94/76/62/383947662.db2.gz AWYNTLZHKUOANU-UHFFFAOYSA-N 0 1 218.260 2.087 10 0 BEAEMN CSC1C(=O)Nc2ncc(Cl)cc21 ZINC000089222157 383949326 /nfs/dbraw/zinc/94/93/26/383949326.db2.gz JGRGYAIREVLEAJ-ZCFIWIBFSA-N 0 1 214.677 2.091 10 0 BEAEMN Cc1ccc(CNCc2cncnc2)s1 ZINC000054768200 383976305 /nfs/dbraw/zinc/97/63/05/383976305.db2.gz YBFNRLKLUIHXKP-UHFFFAOYSA-N 0 1 219.313 2.136 10 0 BEAEMN Cn1ccc(CN[C@@H]2COc3ccccc32)c1 ZINC000091008878 384092933 /nfs/dbraw/zinc/09/29/33/384092933.db2.gz BVAQAWCQVYKIIU-CYBMUJFWSA-N 0 1 228.295 2.248 10 0 BEAEMN CCc1cc(=O)[n-]c(C[N@@H+]2CCCC2(C)C)n1 ZINC000119888500 384314110 /nfs/dbraw/zinc/31/41/10/384314110.db2.gz BDXUBVDHLDQFBQ-UHFFFAOYSA-N 0 1 235.331 2.119 10 0 BEAEMN CCc1cc(=O)[n-]c(C[N@H+]2CCCC2(C)C)n1 ZINC000119888500 384314111 /nfs/dbraw/zinc/31/41/11/384314111.db2.gz BDXUBVDHLDQFBQ-UHFFFAOYSA-N 0 1 235.331 2.119 10 0 BEAEMN CCc1cc(=O)[nH]c(CN2CCCC2(C)C)n1 ZINC000119888500 384314117 /nfs/dbraw/zinc/31/41/17/384314117.db2.gz BDXUBVDHLDQFBQ-UHFFFAOYSA-N 0 1 235.331 2.119 10 0 BEAEMN FC(F)(F)[C@H]1CNC[C@H](C2CCCC2)O1 ZINC000074942701 384315118 /nfs/dbraw/zinc/31/51/18/384315118.db2.gz PQRFYIAFENWTLV-RKDXNWHRSA-N 0 1 223.238 2.096 10 0 BEAEMN FC(F)(F)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000095076957 384353185 /nfs/dbraw/zinc/35/31/85/384353185.db2.gz AKBIYCYPMJGIDW-NSHDSACASA-N 0 1 244.260 2.370 10 0 BEAEMN CC(C)c1ccc(O)c(C(=O)c2cn[nH]c2)c1 ZINC000095935406 384414449 /nfs/dbraw/zinc/41/44/49/384414449.db2.gz RLOJJVIBWMYVKG-UHFFFAOYSA-N 0 1 230.267 2.470 10 0 BEAEMN Cc1nc(C(F)(F)F)c(Br)[nH]1 ZINC000095935681 384415515 /nfs/dbraw/zinc/41/55/15/384415515.db2.gz BHHMSBLBLRIKBA-UHFFFAOYSA-N 0 1 228.999 2.499 10 0 BEAEMN CC(=O)c1cc(O)c(OC(F)F)cc1C=O ZINC000575661729 384418204 /nfs/dbraw/zinc/41/82/04/384418204.db2.gz OXIIGTXKPXEHAG-UHFFFAOYSA-N 0 1 230.166 2.009 10 0 BEAEMN COC[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172355964 384572278 /nfs/dbraw/zinc/57/22/78/384572278.db2.gz QYUJJHSWJMCLAV-ZETCQYMHSA-N 0 1 243.690 2.267 10 0 BEAEMN FC1(F)CCCC[C@@H]1CN1CCOCC1 ZINC000336144880 384630838 /nfs/dbraw/zinc/63/08/38/384630838.db2.gz XKKJAURRTLYPOO-SNVBAGLBSA-N 0 1 219.275 2.144 10 0 BEAEMN Cc1cc(O)cc(Br)c1C=O ZINC000575693045 384653375 /nfs/dbraw/zinc/65/33/75/384653375.db2.gz RMHTYWGYRFQCSX-UHFFFAOYSA-N 0 1 215.046 2.276 10 0 BEAEMN C[C@H](NCc1c[nH]nn1)c1ccc(Cl)s1 ZINC000398327657 384738277 /nfs/dbraw/zinc/73/82/77/384738277.db2.gz GJNVEOSCFQPCRO-LURJTMIESA-N 0 1 242.735 2.370 10 0 BEAEMN CCc1ccc(CN(C)C[C@H]2CCCO2)o1 ZINC000128042501 384983907 /nfs/dbraw/zinc/98/39/07/384983907.db2.gz DKPFJKRTQCPFBL-GFCCVEGCSA-N 0 1 223.316 2.453 10 0 BEAEMN C[C@@H]1C[C@@H]1NCc1ccn(-c2ccccc2)n1 ZINC000061641158 385129855 /nfs/dbraw/zinc/12/98/55/385129855.db2.gz SMFBZHDZLMMMDZ-RISCZKNCSA-N 0 1 227.311 2.370 10 0 BEAEMN Cc1nccc(N2CCC[C@@H]2CO)c1Cl ZINC000308848624 385211342 /nfs/dbraw/zinc/21/13/42/385211342.db2.gz MCVRTRQJGLRUPY-SECBINFHSA-N 0 1 226.707 2.005 10 0 BEAEMN N[C@@H](C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000238655667 385260465 /nfs/dbraw/zinc/26/04/65/385260465.db2.gz CUGOMQWOHYSPHT-SNVBAGLBSA-N 0 1 209.676 2.260 10 0 BEAEMN Cc1cnc([C@@H](C)NCCCOC(C)C)o1 ZINC000309347123 385546192 /nfs/dbraw/zinc/54/61/92/385546192.db2.gz LZHSNEMIZNHMNQ-LLVKDONJSA-N 0 1 226.320 2.449 10 0 BEAEMN CC(C)(C)OC(=O)CN(CC1CC1)CC1CC1 ZINC000115563297 385559810 /nfs/dbraw/zinc/55/98/10/385559810.db2.gz YWXLZBSSSGUCSV-UHFFFAOYSA-N 0 1 239.359 2.450 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1cn(C(C)C)nn1 ZINC000309443330 385584274 /nfs/dbraw/zinc/58/42/74/385584274.db2.gz ZZTMXANBMZXFAP-CMPLNLGQSA-N 0 1 222.336 2.137 10 0 BEAEMN FC(F)(F)c1cnc(NCc2cscn2)[nH]1 ZINC000283729360 385745990 /nfs/dbraw/zinc/74/59/90/385745990.db2.gz CBBCFOGTXVZGTK-UHFFFAOYSA-N 0 1 248.233 2.497 10 0 BEAEMN Cc1cnc([C@H](C)NCCCCF)o1 ZINC000336701647 385767462 /nfs/dbraw/zinc/76/74/62/385767462.db2.gz YKCQRLRFUZIEBJ-VIFPVBQESA-N 0 1 200.257 2.383 10 0 BEAEMN CC(C)[C@H]1CCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000129518237 386083306 /nfs/dbraw/zinc/08/33/06/386083306.db2.gz ZIYJOIPGKRKJMH-KBPBESRZSA-N 0 1 246.354 2.191 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1cc(C)n(C)n1 ZINC000414368310 386154442 /nfs/dbraw/zinc/15/44/42/386154442.db2.gz SJYUKQBEUQFQLH-CMPLNLGQSA-N 0 1 207.321 2.007 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1cc(C)n(C)n1 ZINC000414368313 386156199 /nfs/dbraw/zinc/15/61/99/386156199.db2.gz SJYUKQBEUQFQLH-PWSUYJOCSA-N 0 1 207.321 2.007 10 0 BEAEMN C[C@@]1(c2nc(-c3cccnc3)no2)CCCCN1 ZINC000133834129 386380086 /nfs/dbraw/zinc/38/00/86/386380086.db2.gz ZDISDMZBMMGGSI-ZDUSSCGKSA-N 0 1 244.298 2.120 10 0 BEAEMN CSc1nc2n[nH]c(Cl)c2c(Cl)n1 ZINC000299889968 386498697 /nfs/dbraw/zinc/49/86/97/386498697.db2.gz RRNYKALNEQPURD-UHFFFAOYSA-N 0 1 235.099 2.382 10 0 BEAEMN C[C@H]1CC[C@@H](O)CN1Cc1ccc(F)c(F)c1 ZINC000399402571 386542575 /nfs/dbraw/zinc/54/25/75/386542575.db2.gz HGXAOXFMLWMDRY-GXSJLCMTSA-N 0 1 241.281 2.310 10 0 BEAEMN O=C1OCC[C@H]1N1CCC[C@]2(CC=CCC2)C1 ZINC000114494533 386791701 /nfs/dbraw/zinc/79/17/01/386791701.db2.gz WNPNLEBRBNHAOT-TZMCWYRMSA-N 0 1 235.327 2.124 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1CC1CC(F)(F)C1 ZINC000334792140 386857980 /nfs/dbraw/zinc/85/79/80/386857980.db2.gz QJSFWKJCRXRTHO-RKDXNWHRSA-N 0 1 219.275 2.141 10 0 BEAEMN Clc1cnc[nH]c1=NO[C@H]1CCCCO1 ZINC000302610427 386926957 /nfs/dbraw/zinc/92/69/57/386926957.db2.gz DWAYNQOFILPUOP-QMMMGPOBSA-N 0 1 229.667 2.000 10 0 BEAEMN c1cc(CN[C@@H]2COc3ccccc32)c[nH]1 ZINC000085579956 387074427 /nfs/dbraw/zinc/07/44/27/387074427.db2.gz UFENJSWPTMVTLB-GFCCVEGCSA-N 0 1 214.268 2.238 10 0 BEAEMN O=C(c1ccc(F)cc1O)N1C[C@H]2CCC[C@@H]21 ZINC000336319566 387145983 /nfs/dbraw/zinc/14/59/83/387145983.db2.gz CEFFYOJMXGWULK-KCJUWKMLSA-N 0 1 235.258 2.156 10 0 BEAEMN CC(C)(C)[C@@H]1CCc2onc(CN)c2C1 ZINC000082645076 387154363 /nfs/dbraw/zinc/15/43/63/387154363.db2.gz NHUBHKDDRLTEOI-MRVPVSSYSA-N 0 1 208.305 2.284 10 0 BEAEMN CC[C@H]1CCN(Cc2ncccc2C(=O)OC)C1 ZINC000302374958 387281133 /nfs/dbraw/zinc/28/11/33/387281133.db2.gz OZARPMNAPHLHJN-NSHDSACASA-N 0 1 248.326 2.100 10 0 BEAEMN S=C1N=NC([C@H]2CCCSCC2)O1 ZINC000575536028 387576208 /nfs/dbraw/zinc/57/62/08/387576208.db2.gz HRBLRFLRHLQNGX-LURJTMIESA-N 0 1 216.331 2.359 10 0 BEAEMN CCc1ccc(CNCCn2cc(C)cn2)o1 ZINC000133091115 387798263 /nfs/dbraw/zinc/79/82/63/387798263.db2.gz GHBFZIVKRABKLC-UHFFFAOYSA-N 0 1 233.315 2.137 10 0 BEAEMN CC(=O)c1cc(O)c(C(F)F)c(C#N)c1 ZINC000575642698 387846014 /nfs/dbraw/zinc/84/60/14/387846014.db2.gz HRNDLQAURSQGFP-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN C[C@@H](CC(=O)N[C@@H](C)c1nnc[nH]1)C(C)(C)C ZINC000225059872 387940567 /nfs/dbraw/zinc/94/05/67/387940567.db2.gz HWMPAKKHTQDCKP-IUCAKERBSA-N 0 1 238.335 2.054 10 0 BEAEMN CC(C)(C)OC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000082609841 388037049 /nfs/dbraw/zinc/03/70/49/388037049.db2.gz RSZAJDMSCKVLQG-LLVKDONJSA-N 0 1 240.347 2.092 10 0 BEAEMN CCN(Cc1nnc(C)n1CC)C1CCCC1 ZINC000195082600 388097227 /nfs/dbraw/zinc/09/72/27/388097227.db2.gz WKDQTWBFUAFLPQ-UHFFFAOYSA-N 0 1 236.363 2.371 10 0 BEAEMN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC1 ZINC000086929426 388111641 /nfs/dbraw/zinc/11/16/41/388111641.db2.gz CMPTWQXDHNFCLT-UONOGXRCSA-N 0 1 222.376 2.345 10 0 BEAEMN Cc1cn(-c2ccc(C(=O)[O-])cc2)c(C)[nH+]1 ZINC000082656173 388125727 /nfs/dbraw/zinc/12/57/27/388125727.db2.gz MQYPOKHHWSSUKV-UHFFFAOYSA-N 0 1 216.240 2.187 10 0 BEAEMN O=C([O-])C1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000013362650 388131968 /nfs/dbraw/zinc/13/19/68/388131968.db2.gz XRPUIVBDAUBLTF-UHFFFAOYSA-N 0 1 235.258 2.042 10 0 BEAEMN Cc1nsc([C@@]2(N)CCC[C@@H](C)C2)n1 ZINC000307303033 388389959 /nfs/dbraw/zinc/38/99/59/388389959.db2.gz FOUMACPHNXICBC-GMSGAONNSA-N 0 1 211.334 2.211 10 0 BEAEMN Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)[nH]n1 ZINC000246089406 388438137 /nfs/dbraw/zinc/43/81/37/388438137.db2.gz MRSMGRWYDADUOA-IRUJWGPZSA-N 0 1 249.358 2.202 10 0 BEAEMN CC[C@@H](C)[C@@H]1CNCCN1C(=O)OC(C)(C)C ZINC000107090551 388599238 /nfs/dbraw/zinc/59/92/38/388599238.db2.gz CEOFDGBRMUSCDU-MNOVXSKESA-N 0 1 242.363 2.241 10 0 BEAEMN C[C@@H](N)c1nc(C2(Cl)CC2)cs1 ZINC000575502406 388990485 /nfs/dbraw/zinc/99/04/85/388990485.db2.gz WONVKZXZPRHKHF-RXMQYKEDSA-N 0 1 202.710 2.391 10 0 BEAEMN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)ncc1N ZINC000036250774 132341304 /nfs/dbraw/zinc/34/13/04/132341304.db2.gz CSFPBSALLCKZIN-NXEZZACHSA-N 0 1 219.332 2.455 10 0 BEAEMN Cc1cc(N2C[C@H](C)C[C@H](C)C2)ncc1N ZINC000036250768 132341403 /nfs/dbraw/zinc/34/14/03/132341403.db2.gz CSFPBSALLCKZIN-AOOOYVTPSA-N 0 1 219.332 2.455 10 0 BEAEMN Cc1nccnc1[C@H](C)NCCC(F)(F)F ZINC000219177590 134274584 /nfs/dbraw/zinc/27/45/84/134274584.db2.gz BOCHWYAAIVOYQZ-ZETCQYMHSA-N 0 1 233.237 2.388 10 0 BEAEMN C[C@@H]1OCC[C@H]1SCc1n[nH]c(C2CC2)n1 ZINC000179872866 134324344 /nfs/dbraw/zinc/32/43/44/134324344.db2.gz GJDZANDTWOTHSH-IONNQARKSA-N 0 1 239.344 2.093 10 0 BEAEMN O=C(CC1CCC1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181368606 134335779 /nfs/dbraw/zinc/33/57/79/134335779.db2.gz BVRADAHDHGVNPI-LLVKDONJSA-N 0 1 248.330 2.049 10 0 BEAEMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000184648230 134367139 /nfs/dbraw/zinc/36/71/39/134367139.db2.gz TVPGVMIVIVGRKP-UTUOFQBUSA-N 0 1 227.348 2.053 10 0 BEAEMN C[C@H](NCC(=O)NC(C)(C)C)c1ccsc1 ZINC000061363521 134392980 /nfs/dbraw/zinc/39/29/80/134392980.db2.gz KCSZAHGRXFTZOQ-VIFPVBQESA-N 0 1 240.372 2.313 10 0 BEAEMN CC[C@@H](C)CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000253278937 135125604 /nfs/dbraw/zinc/12/56/04/135125604.db2.gz PCSFZXXFTDACEQ-OLZOCXBDSA-N 0 1 238.375 2.119 10 0 BEAEMN NC1(c2noc(/C=C/C3CCC3)n2)CCC1 ZINC000262010934 135272200 /nfs/dbraw/zinc/27/22/00/135272200.db2.gz VAFWUVMAIGTXDD-AATRIKPKSA-N 0 1 219.288 2.221 10 0 BEAEMN CCC[C@H](C(=O)OCC)N1C[C@@H]2CCC[C@H]21 ZINC000348261897 136057582 /nfs/dbraw/zinc/05/75/82/136057582.db2.gz HKHANGVFQGSYKQ-QJPTWQEYSA-N 0 1 225.332 2.203 10 0 BEAEMN Cc1nnc([C@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000382338402 397936137 /nfs/dbraw/zinc/93/61/37/397936137.db2.gz YSKABVMITABDTO-CPOMMVLXSA-N 0 1 221.304 2.217 10 0 BEAEMN C[C@]1(C(=O)[O-])CCC[N@H+]1[C@H]1C=CCCC1 ZINC000167804680 487597804 /nfs/dbraw/zinc/59/78/04/487597804.db2.gz PLQVXALXPMKQEF-CMPLNLGQSA-N 0 1 209.289 2.034 10 0 BEAEMN COC(CNCc1ccc(Cl)cc1)OC ZINC000037388211 409738375 /nfs/dbraw/zinc/73/83/75/409738375.db2.gz KYYVJZGZJOQVCZ-UHFFFAOYSA-N 0 1 229.707 2.049 10 0 BEAEMN Brc1ccccc1Cc1nc[nH]n1 ZINC000082549085 166102607 /nfs/dbraw/zinc/10/26/07/166102607.db2.gz ODTTYHJKEYZJLK-UHFFFAOYSA-N 0 1 238.088 2.158 10 0 BEAEMN CC(C)[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594015 167028114 /nfs/dbraw/zinc/02/81/14/167028114.db2.gz WSZCUVSLLMOKAB-LBPRGKRZSA-N 0 1 219.284 2.079 10 0 BEAEMN CC(C)NCC(=O)c1cc(F)ccc1F ZINC000049815284 167096766 /nfs/dbraw/zinc/09/67/66/167096766.db2.gz HITPVXHQGMNSHW-UHFFFAOYSA-N 0 1 213.227 2.146 10 0 BEAEMN CC(C)OC(=O)N1CCNCc2ccccc21 ZINC000062818614 167162919 /nfs/dbraw/zinc/16/29/19/167162919.db2.gz YLICCENUZKZKKT-UHFFFAOYSA-N 0 1 234.299 2.141 10 0 BEAEMN O=c1c2c([nH]n1Cc1cccc(F)c1)CCC2 ZINC000103887360 410919140 /nfs/dbraw/zinc/91/91/40/410919140.db2.gz PBAUWXBBYODYQM-LLVKDONJSA-N 0 1 232.258 2.324 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000044621583 411138732 /nfs/dbraw/zinc/13/87/32/411138732.db2.gz SBNDXVUDCFWPBM-UTSBKAFOSA-N 0 1 233.311 2.495 10 0 BEAEMN COc1ccc(N2N=C3CCC[C@@H]3C2=O)cc1 ZINC000109106072 411149000 /nfs/dbraw/zinc/14/90/00/411149000.db2.gz YVSFLXVDJKBDAU-NSHDSACASA-N 0 1 230.267 2.198 10 0 BEAEMN COc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1 ZINC000109106072 411149001 /nfs/dbraw/zinc/14/90/01/411149001.db2.gz YVSFLXVDJKBDAU-NSHDSACASA-N 0 1 230.267 2.198 10 0 BEAEMN CC1(C)CCN(Cc2csc(N)n2)CC1 ZINC000061820146 167921071 /nfs/dbraw/zinc/92/10/71/167921071.db2.gz RXGPJLPXZUEKPH-UHFFFAOYSA-N 0 1 225.361 2.347 10 0 BEAEMN CCCC[N@@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000304190021 411352932 /nfs/dbraw/zinc/35/29/32/411352932.db2.gz UKFMGEYGISFXDB-UHFFFAOYSA-N 0 1 236.315 2.402 10 0 BEAEMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304198252 411353178 /nfs/dbraw/zinc/35/31/78/411353178.db2.gz YEADVOHGELMJBC-ZJUUUORDSA-N 0 1 234.299 2.010 10 0 BEAEMN CC1CCC(OC(=O)[C@](C)(N)C2CC2)CC1 ZINC000048633069 168166602 /nfs/dbraw/zinc/16/66/02/168166602.db2.gz RIISBARVMXEEEE-QEIKUCIBSA-N 0 1 225.332 2.236 10 0 BEAEMN CC1CCC(OC(=O)C2(N)CCCC2)CC1 ZINC000048633068 168167299 /nfs/dbraw/zinc/16/72/99/168167299.db2.gz VCKPGXDBZVBXRB-UHFFFAOYSA-N 0 1 225.332 2.380 10 0 BEAEMN CCC(C)(C)NC(=O)CN[C@H](C)c1cccnc1 ZINC000042226150 168290694 /nfs/dbraw/zinc/29/06/94/168290694.db2.gz NIMIUBMXULVIQV-LLVKDONJSA-N 0 1 249.358 2.037 10 0 BEAEMN COc1cccc(N2N=C3CCC[C@H]3C2=O)c1 ZINC000123507153 411452867 /nfs/dbraw/zinc/45/28/67/411452867.db2.gz YYOKDAWHOVSUAZ-LLVKDONJSA-N 0 1 230.267 2.198 10 0 BEAEMN COc1cccc(-n2[nH]c3c(c2=O)CCC3)c1 ZINC000123507153 411452868 /nfs/dbraw/zinc/45/28/68/411452868.db2.gz YYOKDAWHOVSUAZ-LLVKDONJSA-N 0 1 230.267 2.198 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657421933 411503327 /nfs/dbraw/zinc/50/33/27/411503327.db2.gz SBNPBENXTAYPBS-OIBJUYFYSA-N 0 1 245.244 2.371 10 0 BEAEMN CCNCc1csc(N2CCC[C@@H](C)C2)n1 ZINC000062214914 170130223 /nfs/dbraw/zinc/13/02/23/170130223.db2.gz WELOWIMEVBMICX-SNVBAGLBSA-N 0 1 239.388 2.489 10 0 BEAEMN CCNCc1nnnn1C1CCCCCCC1 ZINC000054745352 170131843 /nfs/dbraw/zinc/13/18/43/170131843.db2.gz KLBCXSCGJFFTQP-UHFFFAOYSA-N 0 1 237.351 2.068 10 0 BEAEMN CCN[C@@H](c1cncc(F)c1)c1ccccn1 ZINC000049576290 170149667 /nfs/dbraw/zinc/14/96/67/170149667.db2.gz OKHBEIHEWFDWDO-ZDUSSCGKSA-N 0 1 231.274 2.315 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2occc2C)o1 ZINC000050618698 170160278 /nfs/dbraw/zinc/16/02/78/170160278.db2.gz LHTBWJVPNYGFDK-MRVPVSSYSA-N 0 1 221.260 2.309 10 0 BEAEMN CCN[C@@H]1c2ccc(OC3CCC3)cc2NC1=O ZINC000103923972 170165778 /nfs/dbraw/zinc/16/57/78/170165778.db2.gz VVNSYRIAANGBLU-CYBMUJFWSA-N 0 1 246.310 2.221 10 0 BEAEMN CCNc1c(C(N)=S)cnc2ccccc21 ZINC000036913839 170170347 /nfs/dbraw/zinc/17/03/47/170170347.db2.gz AWXXMGDGCSJYEM-UHFFFAOYSA-N 0 1 231.324 2.301 10 0 BEAEMN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034463617 170231951 /nfs/dbraw/zinc/23/19/51/170231951.db2.gz ULRZIHFFTUGEJT-AWEZNQCLSA-N 0 1 247.338 2.462 10 0 BEAEMN OCC1CC(NCc2c(F)cccc2Cl)C1 ZINC000657808540 411600969 /nfs/dbraw/zinc/60/09/69/411600969.db2.gz KLZXVJWSUOQCPJ-UHFFFAOYSA-N 0 1 243.709 2.340 10 0 BEAEMN CCC(C)(C)[C@@H](C)NCc1nnnn1C(C)C ZINC000661233069 411736999 /nfs/dbraw/zinc/73/69/99/411736999.db2.gz UQUXRFDBJMJTBY-SNVBAGLBSA-N 0 1 239.367 2.168 10 0 BEAEMN CC[C@@](C)(N)c1noc(CC2CCCC2)n1 ZINC000041052981 171172673 /nfs/dbraw/zinc/17/26/73/171172673.db2.gz ARLHDBNVMGGYKF-GFCCVEGCSA-N 0 1 223.320 2.386 10 0 BEAEMN CC[C@@](N)(c1noc(C2CC2)n1)C(C)C ZINC000037755137 171192825 /nfs/dbraw/zinc/19/28/25/171192825.db2.gz IZSPFEKCIWTFLR-NSHDSACASA-N 0 1 209.293 2.167 10 0 BEAEMN CC[C@H](C)[C@@H]1CNCCN1C(=O)OC(C)(C)C ZINC000107090555 171382201 /nfs/dbraw/zinc/38/22/01/171382201.db2.gz CEOFDGBRMUSCDU-QWRGUYRKSA-N 0 1 242.363 2.241 10 0 BEAEMN CCc1nc([C@H](N)C2CCCCC2)no1 ZINC000036762709 172007050 /nfs/dbraw/zinc/00/70/50/172007050.db2.gz MYTNFLDWINOMGH-SNVBAGLBSA-N 0 1 209.293 2.212 10 0 BEAEMN CCc1[nH+]ccn1[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062758379 172028986 /nfs/dbraw/zinc/02/89/86/172028986.db2.gz FAYHNMSNYWNGHR-UWVGGRQHSA-N 0 1 222.288 2.261 10 0 BEAEMN CCc1ncn(Cc2ccccc2)c1N ZINC000105016929 172029359 /nfs/dbraw/zinc/02/93/59/172029359.db2.gz YPHVRMYYIZYCHW-UHFFFAOYSA-N 0 1 201.273 2.076 10 0 BEAEMN CCn1cccc1CN[C@H](C)c1cnn(C)c1 ZINC000294930509 172208790 /nfs/dbraw/zinc/20/87/90/172208790.db2.gz BFRJSVMXDODKNC-LLVKDONJSA-N 0 1 232.331 2.092 10 0 BEAEMN CCn1cccc1CN[C@@H](C)c1cnn(C)c1C ZINC000091025320 172209706 /nfs/dbraw/zinc/20/97/06/172209706.db2.gz JMWPQSUHUUQRMN-NSHDSACASA-N 0 1 246.358 2.401 10 0 BEAEMN CCn1ccnc1[C@@H](NC)c1ccccc1 ZINC000041112567 172229399 /nfs/dbraw/zinc/22/93/99/172229399.db2.gz HYGKHWHJRHOTLK-LBPRGKRZSA-N 0 1 215.300 2.212 10 0 BEAEMN CNC(C)(C)c1nnc(C)n1C1CCCC1 ZINC000061152067 173321258 /nfs/dbraw/zinc/32/12/58/173321258.db2.gz LLTGETHGRKTJQH-UHFFFAOYSA-N 0 1 222.336 2.156 10 0 BEAEMN CNC(C)(C)c1nc(-c2ccsc2)no1 ZINC000061151395 173321537 /nfs/dbraw/zinc/32/15/37/173321537.db2.gz WXOQCKCQOVLJCJ-UHFFFAOYSA-N 0 1 223.301 2.253 10 0 BEAEMN CNCC(=O)c1ccc(Br)c(C)c1 ZINC000082550313 173335842 /nfs/dbraw/zinc/33/58/42/173335842.db2.gz GMAIRTOASDBBTJ-UHFFFAOYSA-N 0 1 242.116 2.160 10 0 BEAEMN CNCC(=O)c1cc2cccc(Cl)c2o1 ZINC000083044120 173335947 /nfs/dbraw/zinc/33/59/47/173335947.db2.gz VCGCSFRWMSOLJT-UHFFFAOYSA-N 0 1 223.659 2.488 10 0 BEAEMN CNCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000082536361 173336327 /nfs/dbraw/zinc/33/63/27/173336327.db2.gz WBOOPQUOUZLHRS-UHFFFAOYSA-N 0 1 218.083 2.396 10 0 BEAEMN CNCc1csc(Cc2nc(C)cs2)n1 ZINC000055269663 173393077 /nfs/dbraw/zinc/39/30/77/173393077.db2.gz OWXFERAGZBMORQ-UHFFFAOYSA-N 0 1 239.369 2.218 10 0 BEAEMN CNCc1csc(N2CCC[C@H](C)C2)n1 ZINC000062214911 173393335 /nfs/dbraw/zinc/39/33/35/173393335.db2.gz SZEJTIVFCMVEAR-VIFPVBQESA-N 0 1 225.361 2.099 10 0 BEAEMN CNCc1nnc(-c2ccc(Cl)s2)o1 ZINC000051173461 173397667 /nfs/dbraw/zinc/39/76/67/173397667.db2.gz WUEYOCBWJPBWPJ-UHFFFAOYSA-N 0 1 229.692 2.171 10 0 BEAEMN CN[C@@H](c1ncccn1)C1CCCCC1 ZINC000037469150 173430172 /nfs/dbraw/zinc/43/01/72/173430172.db2.gz OVRZEAZOXGGSLE-LLVKDONJSA-N 0 1 205.305 2.317 10 0 BEAEMN COCCNC1=N[C@@]2(CS1)CCC[C@H](C)C2 ZINC000053098592 174330293 /nfs/dbraw/zinc/33/02/93/174330293.db2.gz YRHJNJSCQNSKQZ-JQWIXIFHSA-N 0 1 242.388 2.274 10 0 BEAEMN COc1c(C)cnc(C[C@H]2CCC[C@H]2O)c1C ZINC000043656148 174926342 /nfs/dbraw/zinc/92/63/42/174926342.db2.gz YTFGPVRZCRFDSF-DGCLKSJQSA-N 0 1 235.327 2.411 10 0 BEAEMN COc1cc2sc(CN)nc2cc1Cl ZINC000031894787 175028950 /nfs/dbraw/zinc/02/89/50/175028950.db2.gz ABEQKCSUBZDKLG-UHFFFAOYSA-N 0 1 228.704 2.417 10 0 BEAEMN COc1ccc(C(=O)[C@@H]2CCCCN2)cc1F ZINC000082607481 175065033 /nfs/dbraw/zinc/06/50/33/175065033.db2.gz PSOURYTWIKQGBH-NSHDSACASA-N 0 1 237.274 2.159 10 0 BEAEMN COc1ccc(C(=O)[C@@H]2CCCCN2)cc1OC ZINC000058327597 175065655 /nfs/dbraw/zinc/06/56/55/175065655.db2.gz VVKBXCCBWKNIOH-NSHDSACASA-N 0 1 249.310 2.029 10 0 BEAEMN COc1ccc(CN[C@H](C)c2cccs2)nn1 ZINC000283238815 175111483 /nfs/dbraw/zinc/11/14/83/175111483.db2.gz UPWYOXCXRZTTSH-SECBINFHSA-N 0 1 249.339 2.398 10 0 BEAEMN COc1ccc(OC)c([C@@H]2CSCCN2)c1 ZINC000041282382 175168192 /nfs/dbraw/zinc/16/81/92/175168192.db2.gz TZOZVWPGVSQPDD-NSHDSACASA-N 0 1 239.340 2.081 10 0 BEAEMN COc1ccc([C@@H](N)c2cccnc2)c(OC)c1 ZINC000011832276 175180211 /nfs/dbraw/zinc/18/02/11/175180211.db2.gz MAKKVORGEZJWIL-AWEZNQCLSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccc2nc([C@@H](N)C(C)C)oc2c1 ZINC000098096163 175228717 /nfs/dbraw/zinc/22/87/17/175228717.db2.gz DCBJONJZQDMPFK-NSHDSACASA-N 0 1 220.272 2.492 10 0 BEAEMN COc1cccc(C(=O)C2(N)CCCC2)c1 ZINC000071521235 175242659 /nfs/dbraw/zinc/24/26/59/175242659.db2.gz QJAHYYBYPRDBSR-UHFFFAOYSA-N 0 1 219.284 2.149 10 0 BEAEMN COc1ccccc1CN(C)C[C@@H]1CCCC1=O ZINC000053929408 175324951 /nfs/dbraw/zinc/32/49/51/175324951.db2.gz UKOXRJVYOBCAKO-LBPRGKRZSA-N 0 1 247.338 2.496 10 0 BEAEMN C[C@@H](CC1CC1)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000070103838 175655823 /nfs/dbraw/zinc/65/58/23/175655823.db2.gz PUDPLDRUBZHFDW-NHYWBVRUSA-N 0 1 246.354 2.165 10 0 BEAEMN C[C@@H]([C@H]1CCCO1)n1c(N)nc2ccccc21 ZINC000035736353 176012355 /nfs/dbraw/zinc/01/23/55/176012355.db2.gz PIMCYCLINGXPQD-JOYOIKCWSA-N 0 1 231.299 2.359 10 0 BEAEMN C[C@@H]1CCCC[C@]1(N)C(=O)OC1CCCC1 ZINC000041038376 176089975 /nfs/dbraw/zinc/08/99/75/176089975.db2.gz VULPFLCAHVPPSV-ZWNOBZJWSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CCC[C@@H]([N@@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491633 176120911 /nfs/dbraw/zinc/12/09/11/176120911.db2.gz ONCPVNNTQCZBQF-NXEZZACHSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H]1CCC[C@@](N)(C(=O)OC2CCCC2)C1 ZINC000041036822 176133933 /nfs/dbraw/zinc/13/39/33/176133933.db2.gz MAGCLUOVIYWTAD-MFKMUULPSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CN(CC(=O)c2ccccc2)C[C@H]1C ZINC000039109879 176284128 /nfs/dbraw/zinc/28/41/28/176284128.db2.gz GRSOHFFQZNBUTE-VXGBXAGGSA-N 0 1 217.312 2.457 10 0 BEAEMN C[C@@H](NC1=NC[C@@H](C)S1)c1ccco1 ZINC000035739656 176324163 /nfs/dbraw/zinc/32/41/63/176324163.db2.gz YCWMCJFUFYANFM-HTQZYQBOSA-N 0 1 210.302 2.422 10 0 BEAEMN C[C@H](c1ccccn1)n1c(N)nc2ccccc21 ZINC000035695302 177044051 /nfs/dbraw/zinc/04/40/51/177044051.db2.gz PXFXCLMTMYBVRF-SNVBAGLBSA-N 0 1 238.294 2.453 10 0 BEAEMN C[C@@H]1CN(C[C@@H]2C[C@@H](C)CCC2=O)C[C@H](C)O1 ZINC000053925115 177068885 /nfs/dbraw/zinc/06/88/85/177068885.db2.gz OEZTUDVIXGAWGE-RVMXOQNASA-N 0 1 239.359 2.101 10 0 BEAEMN C[C@H]1CCCC[C@H]1OCc1cc(CN)no1 ZINC000052620775 177089617 /nfs/dbraw/zinc/08/96/17/177089617.db2.gz NWGNYMKUKYXGMQ-JOYOIKCWSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000014193731 177096501 /nfs/dbraw/zinc/09/65/01/177096501.db2.gz ZPKSYGVNZDDWQZ-LBPRGKRZSA-N 0 1 238.375 2.167 10 0 BEAEMN C[C@H]1CCC[N@H+]1C1(C(=O)[O-])CCCCC1 ZINC000041838944 177108948 /nfs/dbraw/zinc/10/89/48/177108948.db2.gz ZBVAWDNGDYAQEX-JTQLQIEISA-N 0 1 211.305 2.258 10 0 BEAEMN C[C@H]1CCC[C@](N)(C(=O)OC2CCCC2)C1 ZINC000041036821 177143859 /nfs/dbraw/zinc/14/38/59/177143859.db2.gz MAGCLUOVIYWTAD-GXFFZTMASA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@H]1CC[C@@H](NC(=O)CN(C)C)c2ccccc21 ZINC000124829659 177192171 /nfs/dbraw/zinc/19/21/71/177192171.db2.gz DJHRVXPZNRMBMQ-SMDDNHRTSA-N 0 1 246.354 2.303 10 0 BEAEMN C[C@@H](c1cccc(N)c1)N1CCOC[C@@H]1C ZINC000040908165 177293762 /nfs/dbraw/zinc/29/37/62/177293762.db2.gz KOMSFGSCYBWTOK-QWRGUYRKSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1Cc1ccccc1 ZINC000120978111 177298876 /nfs/dbraw/zinc/29/88/76/177298876.db2.gz HSPOZEDSMWQHCR-TXEJJXNPSA-N 0 1 205.301 2.296 10 0 BEAEMN CC[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304149678 487873995 /nfs/dbraw/zinc/87/39/95/487873995.db2.gz CDCRHKKYBWYEIF-SNVBAGLBSA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@H](NCc1cncnc1)c1cccc(O)c1 ZINC000054767836 487897137 /nfs/dbraw/zinc/89/71/37/487897137.db2.gz DUQGRNIKGAKDSH-JTQLQIEISA-N 0 1 229.283 2.033 10 0 BEAEMN C[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])CC1 ZINC000302341390 487956383 /nfs/dbraw/zinc/95/63/83/487956383.db2.gz MBGKHUYTMPUVSK-LLVKDONJSA-N 0 1 248.326 2.402 10 0 BEAEMN CCOC(=O)CN(CCCF)C(C)(C)C ZINC000130809119 323012063 /nfs/dbraw/zinc/01/20/63/323012063.db2.gz GRLGRFRNHGECFQ-UHFFFAOYSA-N 0 1 219.300 2.010 10 0 BEAEMN COc1ccc(Br)cc1[C@@H](N)CF ZINC000211906780 323195203 /nfs/dbraw/zinc/19/52/03/323195203.db2.gz HMAJDDWOZGWOEM-QMMMGPOBSA-N 0 1 248.095 2.427 10 0 BEAEMN COc1ccc(Br)cc1[C@H](N)CF ZINC000211906704 323195234 /nfs/dbraw/zinc/19/52/34/323195234.db2.gz HMAJDDWOZGWOEM-MRVPVSSYSA-N 0 1 248.095 2.427 10 0 BEAEMN Cc1oncc1CN1CCC(c2cc[nH]n2)CC1 ZINC000181670572 323375434 /nfs/dbraw/zinc/37/54/34/323375434.db2.gz QZDJSDOPPPTINO-UHFFFAOYSA-N 0 1 246.314 2.086 10 0 BEAEMN CC[C@@H](C)c1[nH+]c2n(c1C(=O)[O-])CCCC2 ZINC000536952608 323959002 /nfs/dbraw/zinc/95/90/02/323959002.db2.gz CWDVIIKVDIBVEN-MRVPVSSYSA-N 0 1 222.288 2.431 10 0 BEAEMN C[C@]1(C(=O)[O-])CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361265 488091950 /nfs/dbraw/zinc/09/19/50/488091950.db2.gz PLQVXALXPMKQEF-ZYHUDNBSSA-N 0 1 209.289 2.034 10 0 BEAEMN C[C@H](CO)CN1CCCC[C@H]1c1nccs1 ZINC000678044813 488179744 /nfs/dbraw/zinc/17/97/44/488179744.db2.gz HDAOWXBDVBECQY-QWRGUYRKSA-N 0 1 240.372 2.299 10 0 BEAEMN O=Cc1ccc(O)c(CC(F)(F)F)c1O ZINC000222229890 490156088 /nfs/dbraw/zinc/15/60/88/490156088.db2.gz KGRMDTVTPDOTHP-UHFFFAOYSA-N 0 1 220.146 2.015 10 0 BEAEMN CCO[C@@H]1C[C@@H](N(C)Cc2cncnc2)C1(C)C ZINC000129949258 490183494 /nfs/dbraw/zinc/18/34/94/490183494.db2.gz XMKLHAIQMQRHAH-CHWSQXEVSA-N 0 1 249.358 2.112 10 0 BEAEMN CCCCCNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000220588037 490618609 /nfs/dbraw/zinc/61/86/09/490618609.db2.gz YYEUHHPFMYPLFZ-LLVKDONJSA-N 0 1 249.358 2.129 10 0 BEAEMN C[C@H]1CC(C)(C)C[C@@]2(C1)NC1(COC1)CCO2 ZINC000757145348 582527521 /nfs/dbraw/zinc/52/75/21/582527521.db2.gz IILYLCOBYVLYNI-FZMZJTMJSA-N 0 1 239.359 2.308 10 0 BEAEMN CC(C)(C)OC(=O)[C@@H]1CNCc2ccccc21 ZINC000087611790 518850731 /nfs/dbraw/zinc/85/07/31/518850731.db2.gz KYSSUBYNEALTEJ-GFCCVEGCSA-N 0 1 233.311 2.215 10 0 BEAEMN CCC(CC)[C@H](N)c1noc(C(F)F)n1 ZINC000095532872 521618521 /nfs/dbraw/zinc/61/85/21/521618521.db2.gz VIUMCSMVIXWWPE-LURJTMIESA-N 0 1 219.235 2.443 10 0 BEAEMN CC(C)n1nnnc1CN1CCC[C@@H]1C1CCC1 ZINC000170872508 535167515 /nfs/dbraw/zinc/16/75/15/535167515.db2.gz UOBIHOBQPZRFCX-GFCCVEGCSA-N 0 1 249.362 2.019 10 0 BEAEMN CCc1nn(C)cc1CNCc1cccn1CC ZINC000168669783 535828155 /nfs/dbraw/zinc/82/81/55/535828155.db2.gz RTGLBQPLEIHTFV-UHFFFAOYSA-N 0 1 246.358 2.094 10 0 BEAEMN FC(F)(F)c1cccc([C@H]2COCCN2)c1 ZINC000076136658 566281050 /nfs/dbraw/zinc/28/10/50/566281050.db2.gz ACXAOKYNNKWHDN-SNVBAGLBSA-N 0 1 231.217 2.366 10 0 BEAEMN CC(C)N(c1cc(C(=O)[O-])cc[nH+]1)C(C)C ZINC000675051906 566374415 /nfs/dbraw/zinc/37/44/15/566374415.db2.gz XCLINWSFPHMDQI-UHFFFAOYSA-N 0 1 222.288 2.403 10 0 BEAEMN COc1ccc([C@@H]2CCO[C@H](C)N2)cc1 ZINC000757143389 582523676 /nfs/dbraw/zinc/52/36/76/582523676.db2.gz WMRLINFWQQPDEE-SKDRFNHKSA-N 0 1 207.273 2.092 10 0 BEAEMN Cc1cn2c(n1)N[C@H](c1ccccn1)CC2 ZINC000236044318 582636585 /nfs/dbraw/zinc/63/65/85/582636585.db2.gz ULLDCOPUYIYRAT-NSHDSACASA-N 0 1 214.272 2.143 10 0 BEAEMN Cc1cn2c(n1)N[C@H](c1cccnc1)CC2 ZINC000236044336 582636780 /nfs/dbraw/zinc/63/67/80/582636780.db2.gz OZTNZVJVLMKQTD-NSHDSACASA-N 0 1 214.272 2.143 10 0 BEAEMN Fc1ccccc1[C@@H]1CCNc2nccn21 ZINC000236169147 582640243 /nfs/dbraw/zinc/64/02/43/582640243.db2.gz AVSOIZXWXTUURA-NSHDSACASA-N 0 1 217.247 2.427 10 0 BEAEMN Fc1cccc([C@H]2CCNc3nccn32)c1 ZINC000236231076 582642448 /nfs/dbraw/zinc/64/24/48/582642448.db2.gz IZCHKOVMARBJEL-LLVKDONJSA-N 0 1 217.247 2.427 10 0 BEAEMN N[C@@H](CCc1ccccc1)c1ncccn1 ZINC000037467262 582674912 /nfs/dbraw/zinc/67/49/12/582674912.db2.gz DHHYWILQBBLDLS-LBPRGKRZSA-N 0 1 213.284 2.109 10 0 BEAEMN Cc1cnn(C)c1[C@@H]1NCCc2sccc21 ZINC000709190149 582993342 /nfs/dbraw/zinc/99/33/42/582993342.db2.gz MXSIKCZLKANDIV-LLVKDONJSA-N 0 1 233.340 2.025 10 0 BEAEMN CCC(C(=O)C(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397717399 583107747 /nfs/dbraw/zinc/10/77/47/583107747.db2.gz VCUSUVQKZDKFLP-BQBZGAKWSA-N 0 1 218.243 2.462 10 0 BEAEMN Cc1occc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000895196143 583622880 /nfs/dbraw/zinc/62/28/80/583622880.db2.gz SLWZCMHQKSXIAQ-GFCCVEGCSA-N 0 1 246.314 2.433 10 0 BEAEMN CC1(C)CCC[C@]2(C1)NC1(COC1)CCO2 ZINC000757153090 586429538 /nfs/dbraw/zinc/42/95/38/586429538.db2.gz WIVHREPIPDZYIA-ZDUSSCGKSA-N 0 1 225.332 2.062 10 0 BEAEMN CN1CCC[C@H]1C(=O)c1c[nH]c2ccc(N)cc12 ZINC000757176159 586433506 /nfs/dbraw/zinc/43/35/06/586433506.db2.gz CCXZOEWUVRMDAQ-ZDUSSCGKSA-N 0 1 243.310 2.027 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C)cc2C)C1 ZINC000757189079 586435173 /nfs/dbraw/zinc/43/51/73/586435173.db2.gz IXTARTWRGPZKOI-ZIAGYGMSSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2ccc(C)c(C)c2)[C@H](C(=O)[O-])C1 ZINC000757193333 586436501 /nfs/dbraw/zinc/43/65/01/586436501.db2.gz SLYVMOFQRDZEIB-UONOGXRCSA-N 0 1 247.338 2.423 10 0 BEAEMN Nc1ccncc1C(=O)NCCC1CCCCC1 ZINC000127309580 590617430 /nfs/dbraw/zinc/61/74/30/590617430.db2.gz UKKQKMNWCXTFGW-UHFFFAOYSA-N 0 1 247.342 2.364 10 0 BEAEMN C[C@H](CCO)NCc1nc(C(C)(C)C)cs1 ZINC000132968002 591751946 /nfs/dbraw/zinc/75/19/46/591751946.db2.gz IFQDAVUKGGYCCO-SECBINFHSA-N 0 1 242.388 2.301 10 0 BEAEMN COc1ccccc1CN(C)CCC(C)=O ZINC000047979704 631850900 /nfs/dbraw/zinc/85/09/00/631850900.db2.gz AZWVRPWENQIMJN-UHFFFAOYSA-N 0 1 221.300 2.106 10 0 BEAEMN O=C([O-])C[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000309319489 632932504 /nfs/dbraw/zinc/93/25/04/632932504.db2.gz AAPWSBCAMCURHH-XJIUSYNZSA-N 0 1 231.723 2.316 10 0 BEAEMN CCCN[C@H](C)c1nc(CC2CCC2)no1 ZINC000304677257 635947509 /nfs/dbraw/zinc/94/75/09/635947509.db2.gz YCNIBAHRDQBPJK-SECBINFHSA-N 0 1 223.320 2.473 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCSC(F)(F)F ZINC000123586176 634247319 /nfs/dbraw/zinc/24/73/19/634247319.db2.gz TXTPWSSKSWNSAC-LURJTMIESA-N 0 1 245.266 2.034 10 0 BEAEMN c1ccc2c(c1)CC[C@H]2NCc1cncnc1 ZINC000054767085 640408962 /nfs/dbraw/zinc/40/89/62/640408962.db2.gz HJXAYFBJNSRDKB-CQSZACIVSA-N 0 1 225.295 2.254 10 0 BEAEMN COCCN(C)C[C@H](O)c1cc2ccccc2o1 ZINC000044177478 641591270 /nfs/dbraw/zinc/59/12/70/641591270.db2.gz NCVALRQKLQKQQB-LBPRGKRZSA-N 0 1 249.310 2.044 10 0 BEAEMN CCC[C@H](N)c1ncc(Br)cn1 ZINC000070948060 643085554 /nfs/dbraw/zinc/08/55/54/643085554.db2.gz ZKQBQNSHBBIIFX-ZETCQYMHSA-N 0 1 230.109 2.039 10 0 BEAEMN C[C@@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000183154454 643093155 /nfs/dbraw/zinc/09/31/55/643093155.db2.gz ABIDIGMWKRZYAV-YGRLFVJLSA-N 0 1 248.301 2.354 10 0 BEAEMN Cc1cccc(C)c1[C@H]1C[N@@H+](C)C[C@@H]1C(=O)[O-] ZINC000757192399 643363961 /nfs/dbraw/zinc/36/39/61/643363961.db2.gz OFUAAVGNPKKJNG-RYUDHWBXSA-N 0 1 233.311 2.033 10 0 BEAEMN CC(C)c1cnc(CN[C@@H](C)[C@@H](C)O)s1 ZINC000336773579 643460438 /nfs/dbraw/zinc/46/04/38/643460438.db2.gz YZCVCNZRDLEJIA-DTWKUNHWSA-N 0 1 228.361 2.125 10 0 BEAEMN O[C@@H](CN1CCCCC1)c1cc(F)ccc1F ZINC000049830480 643472909 /nfs/dbraw/zinc/47/29/09/643472909.db2.gz FNQFHXCESNSBMH-ZDUSSCGKSA-N 0 1 241.281 2.484 10 0 BEAEMN CO[C@H]1C[C@@H](CN[C@H](C)c2ncc(C)o2)C1 ZINC000721994573 711863314 /nfs/dbraw/zinc/86/33/14/711863314.db2.gz MAZMIOTVKCIADX-MXWKQRLJSA-N 0 1 224.304 2.059 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1nccn1C1CC1 ZINC000711817739 712332528 /nfs/dbraw/zinc/33/25/28/712332528.db2.gz NTMOGAZYYUOVFI-PWSUYJOCSA-N 0 1 219.332 2.496 10 0 BEAEMN COC(=O)c1sccc1CN[C@@H]1C[C@@H]1C ZINC000378659274 712356324 /nfs/dbraw/zinc/35/63/24/712356324.db2.gz FLMWOBKANXHKOE-IONNQARKSA-N 0 1 225.313 2.033 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CC3CCC2CC3)n1 ZINC000700482198 711994557 /nfs/dbraw/zinc/99/45/57/711994557.db2.gz HZLZGCDUYLPQBI-HTAVTVPLSA-N 0 1 247.342 2.159 10 0 BEAEMN C[C@@H](O)[C@@H](C)NCc1c(F)ccc(F)c1Cl ZINC000705553852 712132673 /nfs/dbraw/zinc/13/26/73/712132673.db2.gz GNLYZDGRNFBGFQ-RNFRBKRXSA-N 0 1 249.688 2.477 10 0 BEAEMN CSC1CC(NCc2nccn2C2CC2)C1 ZINC000711796592 712331128 /nfs/dbraw/zinc/33/11/28/712331128.db2.gz UNAPAOWPYOVPPH-UHFFFAOYSA-N 0 1 237.372 2.202 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](F)C2)s1 ZINC000689413011 976252342 /nfs/dbraw/zinc/25/23/42/976252342.db2.gz AGIUFGBNEIJZDU-QMMMGPOBSA-N 0 1 243.303 2.380 10 0 BEAEMN Cc1ccc(C[N@@H+](C)CCC(=O)[O-])c(F)c1 ZINC000686308904 954609693 /nfs/dbraw/zinc/60/96/93/954609693.db2.gz OOJWFRBPXHOZLE-UHFFFAOYSA-N 0 1 225.263 2.041 10 0 BEAEMN Cc1ccoc1C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000687726624 954619028 /nfs/dbraw/zinc/61/90/28/954619028.db2.gz PPZWTWBAGZWXBT-SECBINFHSA-N 0 1 223.272 2.026 10 0 BEAEMN Cc1ccoc1C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000687726624 954619034 /nfs/dbraw/zinc/61/90/34/954619034.db2.gz PPZWTWBAGZWXBT-SECBINFHSA-N 0 1 223.272 2.026 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1CC2(CCC2)C1 ZINC000691881166 954689597 /nfs/dbraw/zinc/68/95/97/954689597.db2.gz SCDCSANTVJGNFT-LLVKDONJSA-N 0 1 225.332 2.362 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000694538237 954777775 /nfs/dbraw/zinc/77/77/75/954777775.db2.gz IQNOFAGJCXIVIQ-MNOVXSKESA-N 0 1 213.321 2.218 10 0 BEAEMN O=C([O-])CCCC[N@H+]1CCC12CCCC2 ZINC000708298569 954995364 /nfs/dbraw/zinc/99/53/64/954995364.db2.gz RGSNYVDAYNRBNB-UHFFFAOYSA-N 0 1 211.305 2.260 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708533928 955000468 /nfs/dbraw/zinc/00/04/68/955000468.db2.gz YTORCKJTTQYYJZ-UWVGGRQHSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1CC[N@@H+](CC2=CCCC2)C[C@H]1C(=O)[O-] ZINC000710495475 955026137 /nfs/dbraw/zinc/02/61/37/955026137.db2.gz NQSZMSHSEZBQHX-ZYHUDNBSSA-N 0 1 223.316 2.139 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000718088123 955154616 /nfs/dbraw/zinc/15/46/16/955154616.db2.gz WWUVTJJMUZNZJJ-WDEREUQCSA-N 0 1 237.299 2.273 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000718087921 955154755 /nfs/dbraw/zinc/15/47/55/955154755.db2.gz WWUVTJJMUZNZJJ-MNOVXSKESA-N 0 1 237.299 2.273 10 0 BEAEMN CSCc1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000725107864 955214661 /nfs/dbraw/zinc/21/46/61/955214661.db2.gz QELORTVKRYTEEX-UHFFFAOYSA-N 0 1 239.340 2.066 10 0 BEAEMN C[N@@H+](CCCC(=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC000714338727 969076526 /nfs/dbraw/zinc/07/65/26/969076526.db2.gz LKTCCNBDTMWDNA-LLVKDONJSA-N 0 1 243.347 2.131 10 0 BEAEMN Cc1coc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000718084717 969098835 /nfs/dbraw/zinc/09/88/35/969098835.db2.gz BFUMEBKMMCXVLS-ZYHUDNBSSA-N 0 1 237.299 2.131 10 0 BEAEMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1F ZINC000686308579 976104568 /nfs/dbraw/zinc/10/45/68/976104568.db2.gz FLXMVLPRYBVGDT-UHFFFAOYSA-N 0 1 225.263 2.041 10 0 BEAEMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])c(F)c1 ZINC000686308951 976104813 /nfs/dbraw/zinc/10/48/13/976104813.db2.gz RTFZDZLUEVRNSC-SECBINFHSA-N 0 1 225.263 2.039 10 0 BEAEMN Cc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])c(F)c1 ZINC000686312146 976104883 /nfs/dbraw/zinc/10/48/83/976104883.db2.gz PJWWUQYAMKOLQN-UHFFFAOYSA-N 0 1 239.290 2.429 10 0 BEAEMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](F)C2)s1 ZINC000689413011 976252333 /nfs/dbraw/zinc/25/23/33/976252333.db2.gz AGIUFGBNEIJZDU-QMMMGPOBSA-N 0 1 243.303 2.380 10 0 BEAEMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000689937571 976268232 /nfs/dbraw/zinc/26/82/32/976268232.db2.gz ICPMPBJDDHVVQT-SECBINFHSA-N 0 1 243.303 2.299 10 0 BEAEMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](F)C1 ZINC000689937571 976268242 /nfs/dbraw/zinc/26/82/42/976268242.db2.gz ICPMPBJDDHVVQT-SECBINFHSA-N 0 1 243.303 2.299 10 0 BEAEMN CCC[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000691547571 976365066 /nfs/dbraw/zinc/36/50/66/976365066.db2.gz LQZMTPYECFBFIH-JTQLQIEISA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635891 976378896 /nfs/dbraw/zinc/37/88/96/976378896.db2.gz ZAIFSSWUIGRLDE-GHMZBOCLSA-N 0 1 225.332 2.362 10 0 BEAEMN C[N@@H+](C[C@@H]1CCC(C)(C)O1)C(C)(C)CC(=O)[O-] ZINC000694075742 976666501 /nfs/dbraw/zinc/66/65/01/976666501.db2.gz TXQQWSGGHLNMRM-JTQLQIEISA-N 0 1 243.347 2.129 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCSC[C@@H](C)C1 ZINC000695164969 976785534 /nfs/dbraw/zinc/78/55/34/976785534.db2.gz FDLFPBKZMDEWNA-WDEREUQCSA-N 0 1 245.388 2.171 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCS[C@@H](C)CC1 ZINC000695166615 976786704 /nfs/dbraw/zinc/78/67/04/976786704.db2.gz MSWBWSWTNULZCZ-QWRGUYRKSA-N 0 1 245.388 2.313 10 0 BEAEMN O=C([O-])c1cc[nH+]c(NCCC2(F)CCC2)c1 ZINC000702458701 977086405 /nfs/dbraw/zinc/08/64/05/977086405.db2.gz DMQHACSURXTWQB-UHFFFAOYSA-N 0 1 238.262 2.474 10 0 BEAEMN CC[N@@H+](CC1(C(=O)[O-])CC1)[C@H](C)C(C)C ZINC000706688085 977358534 /nfs/dbraw/zinc/35/85/34/977358534.db2.gz NGZOJOSOAJWQNZ-SNVBAGLBSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H]1C ZINC000706744914 977360577 /nfs/dbraw/zinc/36/05/77/977360577.db2.gz UOBZVYHGLDLNCQ-MNOVXSKESA-N 0 1 249.310 2.104 10 0 BEAEMN C[C@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706743101 977360719 /nfs/dbraw/zinc/36/07/19/977360719.db2.gz MEAVZWFULNJZIL-QWRGUYRKSA-N 0 1 249.310 2.104 10 0 BEAEMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706743099 977360730 /nfs/dbraw/zinc/36/07/30/977360730.db2.gz MEAVZWFULNJZIL-MNOVXSKESA-N 0 1 249.310 2.104 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000706932661 977368509 /nfs/dbraw/zinc/36/85/09/977368509.db2.gz AAERCBHPYOPONE-ONGXEEELSA-N 0 1 235.283 2.352 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]1C ZINC000706915304 977368934 /nfs/dbraw/zinc/36/89/34/977368934.db2.gz MWTZLBWDCFNSNE-YUMQZZPRSA-N 0 1 225.313 2.287 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000706948111 977370569 /nfs/dbraw/zinc/37/05/69/977370569.db2.gz KSICUOROUZERBB-IJLUTSLNSA-N 0 1 225.332 2.360 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)c(F)c1 ZINC000707025264 977373803 /nfs/dbraw/zinc/37/38/03/977373803.db2.gz FDZFSOJRPWDBNE-QPUJVOFHSA-N 0 1 235.258 2.118 10 0 BEAEMN C[C@H]1C[N@@H+](CC2=CCCC2)C[C@]1(C)C(=O)[O-] ZINC000710167326 977489638 /nfs/dbraw/zinc/48/96/38/977489638.db2.gz ZEFPXQDETMFDJK-GWCFXTLKSA-N 0 1 223.316 2.139 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000718058851 977937745 /nfs/dbraw/zinc/93/77/45/977937745.db2.gz QFIYGXRWWMAZLD-WCFLWFBJSA-N 0 1 249.310 2.273 10 0 BEAEMN C[N@H+](Cc1cncc(C(=O)[O-])c1)CC1CCC1 ZINC000721532247 978116645 /nfs/dbraw/zinc/11/66/45/978116645.db2.gz RBTNQPPQZQEVAG-UHFFFAOYSA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@@H](C1CC1)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542165 978118751 /nfs/dbraw/zinc/11/87/51/978118751.db2.gz SCKVLLRCFWUZPD-VIFPVBQESA-N 0 1 234.299 2.010 10 0 BEAEMN C[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CC(C)(C)C1 ZINC000721600391 978120680 /nfs/dbraw/zinc/12/06/80/978120680.db2.gz WWRUPVDNECJMMN-UHFFFAOYSA-N 0 1 248.326 2.400 10 0 BEAEMN CC[C@@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693336 978164095 /nfs/dbraw/zinc/16/40/95/978164095.db2.gz NOLQVVXGGUSFPH-WISYIIOYSA-N 0 1 227.348 2.464 10 0 BEAEMN C[C@H]1C[C@]2(CC(C)(C)C1)C(=O)CCN2C ZINC000685954574 538899452 /nfs/dbraw/zinc/89/94/52/538899452.db2.gz OHOAXCVQODNSEP-MFKMUULPSA-N 0 1 209.333 2.476 10 0 BEAEMN CCN1CCC(=O)[C@]12C[C@@H](C)CC[C@H]2C ZINC000685955091 538899929 /nfs/dbraw/zinc/89/99/29/538899929.db2.gz SUYQGVMPHXQSPK-DMDPSCGWSA-N 0 1 209.333 2.476 10 0 BEAEMN COCC[C@H](C)C(=O)CNCc1ccccc1 ZINC000685960500 538907847 /nfs/dbraw/zinc/90/78/47/538907847.db2.gz NHQMVJWXCDCOIW-LBPRGKRZSA-N 0 1 235.327 2.018 10 0 BEAEMN CC[C@@H](C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000685961406 538908741 /nfs/dbraw/zinc/90/87/41/538908741.db2.gz HPZTZJKEQFPDGX-TZMCWYRMSA-N 0 1 248.370 2.061 10 0 BEAEMN CN(Cc1ccccc1)C[C@H](N)C(=O)C(C)(C)C ZINC000685961444 538908774 /nfs/dbraw/zinc/90/87/74/538908774.db2.gz IIAXDBRXSKMBLK-ZDUSSCGKSA-N 0 1 248.370 2.061 10 0 BEAEMN C=C(OCC)c1cnc(CNCC)s1 ZINC000685965275 538911383 /nfs/dbraw/zinc/91/13/83/538911383.db2.gz WZOUIYRYTCWNGO-UHFFFAOYSA-N 0 1 212.318 2.260 10 0 BEAEMN C[C@H]1NC(=S)Oc2cn(CC(C)(C)C)nc21 ZINC000685965399 538911767 /nfs/dbraw/zinc/91/17/67/538911767.db2.gz CJIXJTBNWUDVBO-SSDOTTSWSA-N 0 1 239.344 2.257 10 0 BEAEMN Cc1cc(COC(=O)c2ccccc2)[nH]n1 ZINC000039109787 178047793 /nfs/dbraw/zinc/04/77/93/178047793.db2.gz QMSFFBHXZUQMIR-UHFFFAOYSA-N 0 1 216.240 2.075 10 0 BEAEMN C[C@@H]1CN[C@@H](c2ccc(O)c(F)c2)S1 ZINC000232448126 398179018 /nfs/dbraw/zinc/17/90/18/398179018.db2.gz INOSUDMLJCMQAZ-LHLIQPBNSA-N 0 1 213.277 2.255 10 0 BEAEMN Cc1cc(N(C)CCC(C)C)ncc1N ZINC000077300918 178098253 /nfs/dbraw/zinc/09/82/53/178098253.db2.gz CORZGZOCYXVBSD-UHFFFAOYSA-N 0 1 207.321 2.455 10 0 BEAEMN Cc1nccc(N2CC[C@@H](CCO)C2)c1Cl ZINC000309325304 136217936 /nfs/dbraw/zinc/21/79/36/136217936.db2.gz HUVOEFWXBBEBRP-JTQLQIEISA-N 0 1 240.734 2.252 10 0 BEAEMN Cc1cc(N)[nH+]cc1-c1ccc(C(=O)[O-])s1 ZINC000002458603 178110133 /nfs/dbraw/zinc/11/01/33/178110133.db2.gz OTTYXSJTJWTWIN-UHFFFAOYSA-N 0 1 234.280 2.399 10 0 BEAEMN CC(C)[N@@H+](C)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163625298 538929815 /nfs/dbraw/zinc/92/98/15/538929815.db2.gz YXZPSLUVRJEGLS-UHFFFAOYSA-N 0 1 225.263 2.364 10 0 BEAEMN Cc1cc([C@@H](C)NC2COC2)c(C)s1 ZINC000082488367 178222599 /nfs/dbraw/zinc/22/25/99/178222599.db2.gz DBYPCLCVYWHGNY-MRVPVSSYSA-N 0 1 211.330 2.414 10 0 BEAEMN Cc1ccc(-c2nc(CN)co2)cc1F ZINC000082639995 178334153 /nfs/dbraw/zinc/33/41/53/178334153.db2.gz ZHAKHQYHZRDCCY-UHFFFAOYSA-N 0 1 206.220 2.248 10 0 BEAEMN Cc1ccc(-c2nnsc2CN)c(C)c1 ZINC000082366339 178342858 /nfs/dbraw/zinc/34/28/58/178342858.db2.gz RVCNFDJWFGADGH-UHFFFAOYSA-N 0 1 219.313 2.281 10 0 BEAEMN Cc1ccc(-n2ncc(CNC(C)(C)C)n2)cc1 ZINC000051174656 178349989 /nfs/dbraw/zinc/34/99/89/178349989.db2.gz VIKRKSXXNYLKQB-UHFFFAOYSA-N 0 1 244.342 2.464 10 0 BEAEMN Cc1ccc(C(=O)CNC2CC2)c(C)c1 ZINC000041612640 178373323 /nfs/dbraw/zinc/37/33/23/178373323.db2.gz PLSRECNAYKPFEO-UHFFFAOYSA-N 0 1 203.285 2.238 10 0 BEAEMN Cc1cccc(CN2CCCNC(=O)[C@@H]2C)c1C ZINC000189097792 346858221 /nfs/dbraw/zinc/85/82/21/346858221.db2.gz FDMGSKVFDZVRFI-ZDUSSCGKSA-N 0 1 246.354 2.014 10 0 BEAEMN Cc1nc([C@H](C)N[C@@H]2CCC[C@H](O)C2)cs1 ZINC000037166259 538961820 /nfs/dbraw/zinc/96/18/20/538961820.db2.gz MBNVBLHJGAKLOK-GDPRMGEGSA-N 0 1 240.372 2.406 10 0 BEAEMN CN(C)c1ccc2ccc(N(C)C)nc2c1 ZINC000001871601 342713316 /nfs/dbraw/zinc/71/33/16/342713316.db2.gz BJMKWCAYYIEIQS-UHFFFAOYSA-N 0 1 215.300 2.367 10 0 BEAEMN CC(C)[N@H+]1Cc2ccccc2[C@H]1CC(=O)[O-] ZINC000149792261 342794766 /nfs/dbraw/zinc/79/47/66/342794766.db2.gz DVWGICSQDVNBJR-GFCCVEGCSA-N 0 1 219.284 2.426 10 0 BEAEMN C[C@H]1C[C@@]2(CS1)NC[C@@H](C)CS2 ZINC000226587285 342842505 /nfs/dbraw/zinc/84/25/05/342842505.db2.gz YFMNBZORCATZLI-HRDYMLBCSA-N 0 1 203.376 2.181 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1CCCC(C)(C)C1 ZINC000216698268 342839932 /nfs/dbraw/zinc/83/99/32/342839932.db2.gz GYYFKAWMCKVUGD-YFHOEESVSA-N 0 1 211.305 2.139 10 0 BEAEMN Cn1cccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091979364 398304248 /nfs/dbraw/zinc/30/42/48/398304248.db2.gz GFFHVKIIEUQWBM-KBPBESRZSA-N 0 1 234.343 2.169 10 0 BEAEMN CN(Cc1nc2ccccc2o1)C(C)(C)CO ZINC000134847123 342901682 /nfs/dbraw/zinc/90/16/82/342901682.db2.gz WZOMMTMMLCEROO-UHFFFAOYSA-N 0 1 234.299 2.031 10 0 BEAEMN C[C@@H]1[C@@H](O)CCCN1Cc1nc2ccccc2o1 ZINC000335598242 398341789 /nfs/dbraw/zinc/34/17/89/398341789.db2.gz VSNDFPRJNZWEPE-PWSUYJOCSA-N 0 1 246.310 2.173 10 0 BEAEMN C[C@H]1[C@H](O)CCCN1Cc1nc2ccccc2o1 ZINC000335598217 398341822 /nfs/dbraw/zinc/34/18/22/398341822.db2.gz VSNDFPRJNZWEPE-CMPLNLGQSA-N 0 1 246.310 2.173 10 0 BEAEMN OC[C@@H]1C[C@H]1NCc1c(Cl)cccc1Cl ZINC000308892976 259340584 /nfs/dbraw/zinc/34/05/84/259340584.db2.gz XUNZXIBXWJWFQK-WRWORJQWSA-N 0 1 246.137 2.464 10 0 BEAEMN O=c1nc[nH]c2nc(Nc3ccccc3)sc21 ZINC000021949325 343028586 /nfs/dbraw/zinc/02/85/86/343028586.db2.gz TVYBDNZUZDXQOG-UHFFFAOYSA-N 0 1 244.279 2.123 10 0 BEAEMN CNc1c(N)cnc2ccc(C)c(Cl)c21 ZINC000584881806 343082783 /nfs/dbraw/zinc/08/27/83/343082783.db2.gz BRGSQRRGWCZMHK-UHFFFAOYSA-N 0 1 221.691 2.242 10 0 BEAEMN Cc1c(Cl)ccc2c(N)c(N)cnc12 ZINC000584881840 343083367 /nfs/dbraw/zinc/08/33/67/343083367.db2.gz DKYZJQSTCXDTFC-UHFFFAOYSA-N 0 1 207.664 2.361 10 0 BEAEMN Cc1ccc(Cl)c2ncc(N)c(N)c12 ZINC000584882439 343084654 /nfs/dbraw/zinc/08/46/54/343084654.db2.gz HLQWNQBPBIJBMI-UHFFFAOYSA-N 0 1 207.664 2.191 10 0 BEAEMN CN1CCN(c2cc(C(C)(C)C)ccc2N)CC1 ZINC000146082232 343278977 /nfs/dbraw/zinc/27/89/77/343278977.db2.gz RSEHASAFVQVLGB-UHFFFAOYSA-N 0 1 247.386 2.318 10 0 BEAEMN NCc1ncccc1OCc1ccccc1 ZINC000038846142 343379856 /nfs/dbraw/zinc/37/98/56/343379856.db2.gz QBVBHQWWNOQBSP-UHFFFAOYSA-N 0 1 214.268 2.119 10 0 BEAEMN Fc1cccc2c1[C@H](N[C@H]1CCSC1)CO2 ZINC000374685643 136357140 /nfs/dbraw/zinc/35/71/40/136357140.db2.gz ZFGPJFQIAVANGF-WCBMZHEXSA-N 0 1 239.315 2.354 10 0 BEAEMN Cc1nccc([C@@H]2NCCc3ccsc32)n1 ZINC000712501033 537787974 /nfs/dbraw/zinc/78/79/74/537787974.db2.gz DFMYXHPFTHFZAK-NSHDSACASA-N 0 1 231.324 2.082 10 0 BEAEMN Cc1nccnc1[C@@H]1NCCc2ccsc21 ZINC000712521675 537788731 /nfs/dbraw/zinc/78/87/31/537788731.db2.gz BXYFTBZOFOFLQW-NSHDSACASA-N 0 1 231.324 2.082 10 0 BEAEMN C[C@H]1CCC[C@@H](OC(=O)C2(N)CCCC2)C1 ZINC000040953545 187264436 /nfs/dbraw/zinc/26/44/36/187264436.db2.gz ZMPHZNDTQSDKGI-WDEREUQCSA-N 0 1 225.332 2.380 10 0 BEAEMN Cc1c([C@@H]2NCCc3ccsc32)cnn1C ZINC000712545280 537793967 /nfs/dbraw/zinc/79/39/67/537793967.db2.gz KYGGUFYPBFYIKZ-NSHDSACASA-N 0 1 233.340 2.025 10 0 BEAEMN FC(F)c1n[nH]c(-c2cccs2)n1 ZINC000054700050 343697671 /nfs/dbraw/zinc/69/76/71/343697671.db2.gz KYMXYDDUPGUKDX-UHFFFAOYSA-N 0 1 201.201 2.471 10 0 BEAEMN CC(=O)Nc1cccc(NCc2cnc(C)[nH]2)c1 ZINC000054797998 187271931 /nfs/dbraw/zinc/27/19/31/187271931.db2.gz XXZZCVQRMYDSCH-UHFFFAOYSA-N 0 1 244.298 2.289 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000212891052 343791734 /nfs/dbraw/zinc/79/17/34/343791734.db2.gz NUOMWGOJVGKZPL-LDYMZIIASA-N 0 1 239.702 2.417 10 0 BEAEMN Cc1ccc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+]2C)cc1 ZINC000212764949 343791797 /nfs/dbraw/zinc/79/17/97/343791797.db2.gz PMZAEKUGYPJACC-VXGBXAGGSA-N 0 1 219.284 2.072 10 0 BEAEMN c1ccc(-c2[nH]nc3c2COCC3)cc1 ZINC000238047032 343796048 /nfs/dbraw/zinc/79/60/48/343796048.db2.gz OKHQJSNJSASUCN-UHFFFAOYSA-N 0 1 200.241 2.149 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000409427263 343800532 /nfs/dbraw/zinc/80/05/32/343800532.db2.gz IMXHXIJHFGVYBL-CMPLNLGQSA-N 0 1 234.299 2.082 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000409427265 343800638 /nfs/dbraw/zinc/80/06/38/343800638.db2.gz IMXHXIJHFGVYBL-JQWIXIFHSA-N 0 1 234.299 2.082 10 0 BEAEMN CC(C)c1n[nH]c(-c2cccnc2)c1CCO ZINC000409439820 343848427 /nfs/dbraw/zinc/84/84/27/343848427.db2.gz JQZFPHJGNNJJOM-UHFFFAOYSA-N 0 1 231.299 2.130 10 0 BEAEMN CCc1n[nH]c(-c2ccsc2)c1C(=O)OC ZINC000409440332 343851758 /nfs/dbraw/zinc/85/17/58/343851758.db2.gz MQKZZMHSJXUAMV-UHFFFAOYSA-N 0 1 236.296 2.487 10 0 BEAEMN CC(C)c1[nH]nc(-c2ccccn2)c1C=O ZINC000409440303 343851860 /nfs/dbraw/zinc/85/18/60/343851860.db2.gz MDQWVJUXHOQNFZ-UHFFFAOYSA-N 0 1 215.256 2.408 10 0 BEAEMN N=C(NO)[C@H](c1cccs1)N1CCCCC1 ZINC000409441803 343861447 /nfs/dbraw/zinc/86/14/47/343861447.db2.gz RDBXAKHBGGGDBH-JTQLQIEISA-N 0 1 239.344 2.231 10 0 BEAEMN COC(=O)c1cccnc1CN1CCCC1(C)C ZINC000305952393 343917833 /nfs/dbraw/zinc/91/78/33/343917833.db2.gz NFWWEQADIZQLGY-UHFFFAOYSA-N 0 1 248.326 2.243 10 0 BEAEMN CSC[C@H](C)Nc1ncc(C)cc1N ZINC000127249860 344079344 /nfs/dbraw/zinc/07/93/44/344079344.db2.gz GREZMXOQEBFSFW-QMMMGPOBSA-N 0 1 211.334 2.136 10 0 BEAEMN C[C@@H]1CCC[C@H]1Nc1nc[nH]c(=O)c1Cl ZINC000165814654 344146400 /nfs/dbraw/zinc/14/64/00/344146400.db2.gz WIUPGYWVCYZJDM-RNFRBKRXSA-N 0 1 227.695 2.024 10 0 BEAEMN CC1(C)C(=O)C(Cc2ccccc2)=C1O ZINC000095936726 187289239 /nfs/dbraw/zinc/28/92/39/187289239.db2.gz CPNXMQLOOSGTLN-UHFFFAOYSA-N 0 1 202.253 2.023 10 0 BEAEMN C[C@@H]1C[C@@H](C)N(Cc2ccc(C=O)o2)C1 ZINC000158062532 344355031 /nfs/dbraw/zinc/35/50/31/344355031.db2.gz RTNCXOAHXBJOAF-NXEZZACHSA-N 0 1 207.273 2.322 10 0 BEAEMN CSCCNc1ccc2c(n1)CCC2 ZINC000127597434 344570201 /nfs/dbraw/zinc/57/02/01/344570201.db2.gz GBJQTPXVMNQTLG-UHFFFAOYSA-N 0 1 208.330 2.345 10 0 BEAEMN CCCCCN(C)[C@H](C)C(=O)OCC ZINC000043638563 344529201 /nfs/dbraw/zinc/52/92/01/344529201.db2.gz QBHCZLIFGAWEGI-SNVBAGLBSA-N 0 1 201.310 2.060 10 0 BEAEMN C[C@H]1C[C@](O)(c2ccc(Cl)s2)C[N@H+]1C ZINC000127474056 344545243 /nfs/dbraw/zinc/54/52/43/344545243.db2.gz DBCWRBNEPSGTCV-OIBJUYFYSA-N 0 1 231.748 2.313 10 0 BEAEMN C[C@H]1C[C@](O)(c2ccc(Cl)s2)CN1C ZINC000127474056 344545245 /nfs/dbraw/zinc/54/52/45/344545245.db2.gz DBCWRBNEPSGTCV-OIBJUYFYSA-N 0 1 231.748 2.313 10 0 BEAEMN CC1(C)CCC([N@H+]2CC[C@@H]2C(=O)[O-])CC1 ZINC000215716388 349912338 /nfs/dbraw/zinc/91/23/38/349912338.db2.gz HVHKGCYIWIZUCD-SNVBAGLBSA-N 0 1 211.305 2.114 10 0 BEAEMN CCOC(=O)c1cc(O)cc(Cl)c1C#N ZINC000396147874 344621516 /nfs/dbraw/zinc/62/15/16/344621516.db2.gz YTJFUZOCZIYRIN-UHFFFAOYSA-N 0 1 225.631 2.094 10 0 BEAEMN CCOC(=O)Cc1cc(O)cc(Cl)c1C#N ZINC000396156584 344628014 /nfs/dbraw/zinc/62/80/14/344628014.db2.gz XSRAHSWSLNARNB-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN C[C@@H]1CN(c2ccccc2C=O)C[C@@H](C)N1C ZINC000116974416 344738665 /nfs/dbraw/zinc/73/86/65/344738665.db2.gz CUDTXLRAKIIRLG-VXGBXAGGSA-N 0 1 232.327 2.028 10 0 BEAEMN Oc1ccc([C@H]2NCCS2)cc1Cl ZINC000050522981 344706292 /nfs/dbraw/zinc/70/62/92/344706292.db2.gz VQCINHIXIHFANQ-VIFPVBQESA-N 0 1 215.705 2.381 10 0 BEAEMN CS[C@@H]1CCC[C@H](N2CCC(=O)CC2)C1 ZINC000235200482 344842323 /nfs/dbraw/zinc/84/23/23/344842323.db2.gz FNMIOEMWSJDBIL-CMPLNLGQSA-N 0 1 227.373 2.326 10 0 BEAEMN C[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1C1CCCC1 ZINC000235634879 344960274 /nfs/dbraw/zinc/96/02/74/344960274.db2.gz PYOIGSSHCVOJJY-VHSXEESVSA-N 0 1 211.305 2.114 10 0 BEAEMN c1nc2c(ncnc2N2CC[C@H]3CCCC[C@@H]32)[nH]1 ZINC000080985316 345458375 /nfs/dbraw/zinc/45/83/75/345458375.db2.gz LMNWUVDBNADKOW-ZJUUUORDSA-N 0 1 243.314 2.122 10 0 BEAEMN c1cc([C@H]2NCCc3sccc32)sn1 ZINC000404452757 537903589 /nfs/dbraw/zinc/90/35/89/537903589.db2.gz JVBUURONCVMEGM-JTQLQIEISA-N 0 1 222.338 2.440 10 0 BEAEMN COC(=O)CCCCc1ccc2c(n1)NCCC2 ZINC000140393459 345808408 /nfs/dbraw/zinc/80/84/08/345808408.db2.gz WNPFGIUGMLXQRD-UHFFFAOYSA-N 0 1 248.326 2.326 10 0 BEAEMN CCOC(=O)c1[nH]c2ccccc2c(=O)c1CC ZINC000034147323 345818315 /nfs/dbraw/zinc/81/83/15/345818315.db2.gz KOYQXYOVRDZQMW-UHFFFAOYSA-N 0 1 245.278 2.267 10 0 BEAEMN O=C(c1ccccc1)[C@@H]1CC2CCN1CC2 ZINC000136887111 345825197 /nfs/dbraw/zinc/82/51/97/345825197.db2.gz DNDSUVVGUXQWAH-ZDUSSCGKSA-N 0 1 215.296 2.354 10 0 BEAEMN COC(=O)c1cccc2nc(SC)[nH]c21 ZINC000143653907 345866397 /nfs/dbraw/zinc/86/63/97/345866397.db2.gz WEKXACUYHXDDBD-UHFFFAOYSA-N 0 1 222.269 2.071 10 0 BEAEMN CCCCCCc1c(N)nc(N)nc1CC ZINC000027433563 187319508 /nfs/dbraw/zinc/31/95/08/187319508.db2.gz GTOXMDZYKYIFLF-UHFFFAOYSA-N 0 1 222.336 2.326 10 0 BEAEMN OCCCN[C@H](c1ccco1)c1ccccc1 ZINC000020188246 259390523 /nfs/dbraw/zinc/39/05/23/259390523.db2.gz WHUJHZMNZCQCMJ-AWEZNQCLSA-N 0 1 231.295 2.341 10 0 BEAEMN Cc1cccc(N(C)C(=O)c2cnccc2N)c1 ZINC000127414093 179114414 /nfs/dbraw/zinc/11/44/14/179114414.db2.gz VUVBKFRBRAQBOI-UHFFFAOYSA-N 0 1 241.294 2.249 10 0 BEAEMN C[C@H]1CCCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000187910525 346648971 /nfs/dbraw/zinc/64/89/71/346648971.db2.gz PGDKPKUMLWVIAL-NSHDSACASA-N 0 1 248.374 2.315 10 0 BEAEMN C[C@H]1CCCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000187910525 346648972 /nfs/dbraw/zinc/64/89/72/346648972.db2.gz PGDKPKUMLWVIAL-NSHDSACASA-N 0 1 248.374 2.315 10 0 BEAEMN Cc1cccc(NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000082997469 179147103 /nfs/dbraw/zinc/14/71/03/179147103.db2.gz KCQHYCATZPRQIU-RYUDHWBXSA-N 0 1 220.316 2.353 10 0 BEAEMN Cc1cc(F)cc(C(=O)[C@H](N)C(C)C)c1 ZINC000167794891 347167841 /nfs/dbraw/zinc/16/78/41/347167841.db2.gz FPCIGIBJEBAKPV-LLVKDONJSA-N 0 1 209.264 2.300 10 0 BEAEMN CCCC(=O)OC[C@H]1CCCN(CCF)C1 ZINC000090416093 168569994 /nfs/dbraw/zinc/56/99/94/168569994.db2.gz RMQZYSMOIGZVSU-NSHDSACASA-N 0 1 231.311 2.011 10 0 BEAEMN Cc1cccc2sc(C[C@@H]3COCCN3)nc21 ZINC000076167416 179234093 /nfs/dbraw/zinc/23/40/93/179234093.db2.gz LRDWFMKLWZBNGG-SNVBAGLBSA-N 0 1 248.351 2.136 10 0 BEAEMN Cc1cccc2sc([C@H]3CNCCO3)nc21 ZINC000083113500 179234192 /nfs/dbraw/zinc/23/41/92/179234192.db2.gz JXDUDGONQMUDER-SECBINFHSA-N 0 1 234.324 2.266 10 0 BEAEMN Cc1ccccc1-c1nc([C@@H](C)N)no1 ZINC000041052263 179238667 /nfs/dbraw/zinc/23/86/67/179238667.db2.gz YOURBXWFUJPVEB-MRVPVSSYSA-N 0 1 203.245 2.065 10 0 BEAEMN Cc1ccccc1C(=O)CCN1CCC(O)CC1 ZINC000054013216 179246045 /nfs/dbraw/zinc/24/60/45/179246045.db2.gz GQRAZNPFHGOOQK-UHFFFAOYSA-N 0 1 247.338 2.025 10 0 BEAEMN Cc1ccccc1[C@@H]1NCCn2cccc21 ZINC000032500382 179332199 /nfs/dbraw/zinc/33/21/99/179332199.db2.gz PSKNSMKKAVBFAY-AWEZNQCLSA-N 0 1 212.296 2.489 10 0 BEAEMN COc1nsc(CNC2CCC2)c1Cl ZINC000616571547 348200006 /nfs/dbraw/zinc/20/00/06/348200006.db2.gz LUIVOVZVBQYBOC-UHFFFAOYSA-N 0 1 232.736 2.447 10 0 BEAEMN Cc1cccnc1[C@@H]1NCCc2cc(O)ccc21 ZINC000038805225 179397127 /nfs/dbraw/zinc/39/71/27/179397127.db2.gz QNCOEDSGEFGFNB-OAHLLOKOSA-N 0 1 240.306 2.331 10 0 BEAEMN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000222029056 349990533 /nfs/dbraw/zinc/99/05/33/349990533.db2.gz OIEYNGLRKAEMRI-GMTAPVOTSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1cnc(CNCc2cccs2)cn1 ZINC000037927595 179606440 /nfs/dbraw/zinc/60/64/40/179606440.db2.gz ONWOVXSVMZBXGV-UHFFFAOYSA-N 0 1 219.313 2.136 10 0 BEAEMN CC[C@@H](N)c1nc(C)cc(C(F)F)n1 ZINC000616577161 349108097 /nfs/dbraw/zinc/10/80/97/349108097.db2.gz IYLXDNOATGMHFI-ZCFIWIBFSA-N 0 1 201.220 2.132 10 0 BEAEMN COc1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000616576075 349099453 /nfs/dbraw/zinc/09/94/53/349099453.db2.gz FIYYCEGWWHBMSQ-UHFFFAOYSA-N 0 1 223.663 2.321 10 0 BEAEMN CC[C@]1(C(=O)[O-])CC[N@H+](C2CCCC2)C1 ZINC000062937239 349125411 /nfs/dbraw/zinc/12/54/11/349125411.db2.gz LPFGWATVNGDTIF-LBPRGKRZSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250792594 349179393 /nfs/dbraw/zinc/17/93/93/349179393.db2.gz KCGNKDITBJVVOQ-IUODEOHRSA-N 0 1 245.322 2.123 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@H]2CC[C@H](C(=O)[O-])C[N@H+]2C1 ZINC000725254207 538044173 /nfs/dbraw/zinc/04/41/73/538044173.db2.gz UOCYFYVGKKMASA-HBNTYKKESA-N 0 1 225.332 2.218 10 0 BEAEMN ON=Cc1ccc(F)cc1Br ZINC000257353537 349414816 /nfs/dbraw/zinc/41/48/16/349414816.db2.gz RTEIVRVDVVVSMK-UHFFFAOYSA-N 0 1 218.025 2.396 10 0 BEAEMN C[C@@](N)(Cc1ccc(F)cc1)c1ncccn1 ZINC000725255054 538050062 /nfs/dbraw/zinc/05/00/62/538050062.db2.gz PTXLJPJRNRLIGE-CYBMUJFWSA-N 0 1 231.274 2.032 10 0 BEAEMN Cc1[nH+]ccn1-c1c(F)cccc1C(=O)[O-] ZINC000054187666 180229185 /nfs/dbraw/zinc/22/91/85/180229185.db2.gz HOZUCCVEHXQLEC-UHFFFAOYSA-N 0 1 220.203 2.018 10 0 BEAEMN CCO[C@H]1OC(=O)C=C1Cc1ccccc1 ZINC000223328545 350273234 /nfs/dbraw/zinc/27/32/34/350273234.db2.gz PYAIMHPXZOYNNS-ZDUSSCGKSA-N 0 1 218.252 2.075 10 0 BEAEMN CC(C)[C@H]1CCc2nc(CN)sc2C1 ZINC000054556829 350279604 /nfs/dbraw/zinc/27/96/04/350279604.db2.gz SYRMYHVNVPXVPH-QMMMGPOBSA-N 0 1 210.346 2.363 10 0 BEAEMN CC[C@@H]1CCCN1Cc1csc(N)n1 ZINC000037913926 350290818 /nfs/dbraw/zinc/29/08/18/350290818.db2.gz UWHGYTBGFHWCOB-SECBINFHSA-N 0 1 211.334 2.100 10 0 BEAEMN COC(=O)c1csc(CN2CCCC2)c1 ZINC000039341917 350338598 /nfs/dbraw/zinc/33/85/98/350338598.db2.gz PQVBUAGPYDYKFZ-UHFFFAOYSA-N 0 1 225.313 2.131 10 0 BEAEMN COc1cc(Cl)cc2[nH]nc(C=O)c21 ZINC000014983330 350396239 /nfs/dbraw/zinc/39/62/39/350396239.db2.gz BCADYDIYEVNQIH-UHFFFAOYSA-N 0 1 210.620 2.037 10 0 BEAEMN COc1ccccc1[C@H]1CCN(C)CCO1 ZINC000616592671 350469360 /nfs/dbraw/zinc/46/93/60/350469360.db2.gz FNXQNSRBYMFMFP-CYBMUJFWSA-N 0 1 221.300 2.088 10 0 BEAEMN O=Cc1c2ccc[nH]c-2nc1-c1ccncc1 ZINC000616593574 350582088 /nfs/dbraw/zinc/58/20/88/350582088.db2.gz XQIMJIWKSGURGY-UHFFFAOYSA-N 0 1 223.235 2.437 10 0 BEAEMN CC(C)(C)N1CCCOC[C@H]1c1cnoc1 ZINC000616596623 350633278 /nfs/dbraw/zinc/63/32/78/350633278.db2.gz FGFBROHZAFRHPQ-NSHDSACASA-N 0 1 224.304 2.237 10 0 BEAEMN O=C(c1ccsn1)C1CC(F)(F)C1 ZINC000306803738 351058835 /nfs/dbraw/zinc/05/88/35/351058835.db2.gz WETFWMJUYLXXFU-UHFFFAOYSA-N 0 1 203.213 2.371 10 0 BEAEMN CN[C@H](c1cncs1)c1cocc1C ZINC000306808742 351060655 /nfs/dbraw/zinc/06/06/55/351060655.db2.gz PYQXZXLHVYFOLS-JTQLQIEISA-N 0 1 208.286 2.353 10 0 BEAEMN NCc1cnc(OCc2ccccc2)s1 ZINC000306809335 351061972 /nfs/dbraw/zinc/06/19/72/351061972.db2.gz RQTGEYRLBUZWRW-UHFFFAOYSA-N 0 1 220.297 2.181 10 0 BEAEMN CC(C)[N@H+]1CCCCC[C@H]1c1cnn[n-]1 ZINC000616621916 351084718 /nfs/dbraw/zinc/08/47/18/351084718.db2.gz RDAVEEWXTOVWLC-NSHDSACASA-N 0 1 208.309 2.130 10 0 BEAEMN CC(C)(C)N1CCOC[C@H]1c1ccc(N)cc1 ZINC000616642193 351153411 /nfs/dbraw/zinc/15/34/11/351153411.db2.gz ZETYTEJKTWVJDI-ZDUSSCGKSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)(C)N1CCCOC[C@@H]1c1ccno1 ZINC000616645200 351166875 /nfs/dbraw/zinc/16/68/75/351166875.db2.gz IMLSKYOQQHXPHS-SNVBAGLBSA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)[N@H+]1CCCO[C@H](c2ccc(N)nc2)C1 ZINC000616650348 351176182 /nfs/dbraw/zinc/17/61/82/351176182.db2.gz YGUQCTBVHMDAOO-LBPRGKRZSA-N 0 1 249.358 2.056 10 0 BEAEMN CC(C)(C)N1CCCO[C@H](OC(F)(F)F)C1 ZINC000616648780 351177308 /nfs/dbraw/zinc/17/73/08/351177308.db2.gz BVJOJQZDDGLLTK-MRVPVSSYSA-N 0 1 241.253 2.370 10 0 BEAEMN CC(C)N1CCCO[C@@H](C(F)(F)F)C1 ZINC000616653481 351194037 /nfs/dbraw/zinc/19/40/37/351194037.db2.gz QEHURPBPKXYHPH-MRVPVSSYSA-N 0 1 211.227 2.048 10 0 BEAEMN CN1CCCO[C@H](c2cccc(F)c2)C1 ZINC000616650824 351185359 /nfs/dbraw/zinc/18/53/59/351185359.db2.gz HFFMYKLVHPSKCV-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CN1CCCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616653007 351187039 /nfs/dbraw/zinc/18/70/39/351187039.db2.gz RNAHKWHSEFNXSV-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616636993 351131268 /nfs/dbraw/zinc/13/12/68/351131268.db2.gz IXPCMAMXOMCAMQ-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CC(C)N1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616636993 351131273 /nfs/dbraw/zinc/13/12/73/351131273.db2.gz IXPCMAMXOMCAMQ-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CCN1c2ccccc2CC[C@H]1c1c[nH]nn1 ZINC000616669416 351229036 /nfs/dbraw/zinc/22/90/36/351229036.db2.gz ICZBGKMYRMWYRQ-ZDUSSCGKSA-N 0 1 228.299 2.319 10 0 BEAEMN CC(=O)N1c2ccccc2CC[C@@H]1c1cnc[nH]1 ZINC000616668238 351230139 /nfs/dbraw/zinc/23/01/39/351230139.db2.gz IKDCXYOLDOIMES-CQSZACIVSA-N 0 1 241.294 2.450 10 0 BEAEMN CC(=O)N1C[C@H](c2cnc[nH]2)Cc2ccccc21 ZINC000616671611 351234586 /nfs/dbraw/zinc/23/45/86/351234586.db2.gz AXWFMHOTEVKLTJ-GFCCVEGCSA-N 0 1 241.294 2.103 10 0 BEAEMN O=C([O-])N1CC[C@@H](c2cnc[nH]2)c2ccccc21 ZINC000616674024 351238089 /nfs/dbraw/zinc/23/80/89/351238089.db2.gz BPIDJUUTPUHCTD-SECBINFHSA-N 0 1 243.266 2.430 10 0 BEAEMN O=C([O-])N1C[C@@H](c2cnc[nH]2)Cc2ccccc21 ZINC000616672987 351239645 /nfs/dbraw/zinc/23/96/45/351239645.db2.gz ZJSWPNKZPXNDPK-JTQLQIEISA-N 0 1 243.266 2.234 10 0 BEAEMN CC(C)N1C[C@@H](c2c[nH]nn2)Nc2ccccc21 ZINC000616680758 351247496 /nfs/dbraw/zinc/24/74/96/351247496.db2.gz GUJGXNCXCNPSDJ-LBPRGKRZSA-N 0 1 243.314 2.186 10 0 BEAEMN CN1CCc2ccccc2[C@H]1c1cccc(N)n1 ZINC000616678748 351249310 /nfs/dbraw/zinc/24/93/10/351249310.db2.gz FUMFPNKGMMWFQC-HNNXBMFYSA-N 0 1 239.322 2.241 10 0 BEAEMN CC(=O)Nc1cccc([C@@H]2CCOCCN2C)c1 ZINC000616656910 351197108 /nfs/dbraw/zinc/19/71/08/351197108.db2.gz JTPMODGTXLWPIS-AWEZNQCLSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(=O)Nc1cccc([C@H]2CCOCCN2C)c1 ZINC000616655652 351200643 /nfs/dbraw/zinc/20/06/43/351200643.db2.gz JTPMODGTXLWPIS-CQSZACIVSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(C)(C)N1CCOCC[C@@H]1c1cccnn1 ZINC000616656432 351202631 /nfs/dbraw/zinc/20/26/31/351202631.db2.gz VJOUEWFCNYLRDG-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN CN[C@H](c1ccsn1)[C@]1(C)C[C@H]1F ZINC000306917433 351328450 /nfs/dbraw/zinc/32/84/50/351328450.db2.gz YANMADMMCCSBLG-IWSPIJDZSA-N 0 1 200.282 2.152 10 0 BEAEMN F[C@H](c1ccns1)[C@H]1CCCCN1 ZINC000306875929 351270608 /nfs/dbraw/zinc/27/06/08/351270608.db2.gz BBMHWTMAUCVARZ-APPZFPTMSA-N 0 1 200.282 2.296 10 0 BEAEMN CC1(C)CC[C@@H]1[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000306998582 351412801 /nfs/dbraw/zinc/41/28/01/351412801.db2.gz YJTZGUKOWAFCMG-UWVGGRQHSA-N 0 1 211.305 2.114 10 0 BEAEMN CC1(C)CC[C@@H]1[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000306998593 351412920 /nfs/dbraw/zinc/41/29/20/351412920.db2.gz YJTZGUKOWAFCMG-ZJUUUORDSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H]1CSC[C@@]12NCC[C@@H](C)S2 ZINC000307153498 351506618 /nfs/dbraw/zinc/50/66/18/351506618.db2.gz JYUUFYPDMVRQCO-YIZRAAEISA-N 0 1 203.376 2.181 10 0 BEAEMN Cc1nsc([C@]2(N)CCCC[C@@H]2C)n1 ZINC000307252613 351771179 /nfs/dbraw/zinc/77/11/79/351771179.db2.gz SPJZSPVPSGKDNQ-XVKPBYJWSA-N 0 1 211.334 2.211 10 0 BEAEMN CC(C)n1nnnc1CN1CCC[C@H]1C1CCC1 ZINC000170872509 535167600 /nfs/dbraw/zinc/16/76/00/535167600.db2.gz UOBIHOBQPZRFCX-LBPRGKRZSA-N 0 1 249.362 2.019 10 0 BEAEMN CC(C)[C@@H](N)c1nccc(C(F)(F)F)n1 ZINC000070948169 187597145 /nfs/dbraw/zinc/59/71/45/187597145.db2.gz UBXQIJLYGHTBOC-SSDOTTSWSA-N 0 1 219.210 2.151 10 0 BEAEMN CCN1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000389481521 352364504 /nfs/dbraw/zinc/36/45/04/352364504.db2.gz XMLQBEIRZHLOHX-QMMMGPOBSA-N 0 1 241.316 2.162 10 0 BEAEMN Brc1csnc1[C@@H]1CCCN1 ZINC000404781354 352430915 /nfs/dbraw/zinc/43/09/15/352430915.db2.gz CKASUWDAQRXIDJ-LURJTMIESA-N 0 1 233.134 2.330 10 0 BEAEMN FCCNC1=NC2(CS1)CCCCC2 ZINC000307433015 352595358 /nfs/dbraw/zinc/59/53/58/352595358.db2.gz NMWVVHFXYBQWOD-UHFFFAOYSA-N 0 1 216.325 2.351 10 0 BEAEMN Cc1ccoc1CN(C)[C@H]1CCC(=O)C1 ZINC000307450653 352602261 /nfs/dbraw/zinc/60/22/61/352602261.db2.gz OZCRUGNAYXOFRA-JTQLQIEISA-N 0 1 207.273 2.141 10 0 BEAEMN CC[C@](C)(C(C)=O)N1CCSC[C@@H]1C ZINC000307618586 352675929 /nfs/dbraw/zinc/67/59/29/352675929.db2.gz ZCKKCZGAIKRQTM-GXSJLCMTSA-N 0 1 215.362 2.181 10 0 BEAEMN C[C@]1([C@@H](N)c2nccs2)CCCS1 ZINC000307247459 353063113 /nfs/dbraw/zinc/06/31/13/353063113.db2.gz MSMGXBNPIMDOEQ-IONNQARKSA-N 0 1 214.359 2.429 10 0 BEAEMN CC(C)(N)C(=O)c1cnc(C(F)(F)F)s1 ZINC000232527816 353106893 /nfs/dbraw/zinc/10/68/93/353106893.db2.gz MUIBOTIOXKWTIU-UHFFFAOYSA-N 0 1 238.234 2.082 10 0 BEAEMN Cc1cc(C(=O)Cc2csnn2)c(C)o1 ZINC000307483556 353078753 /nfs/dbraw/zinc/07/87/53/353078753.db2.gz HMYLWPHXSAQYAF-UHFFFAOYSA-N 0 1 222.269 2.173 10 0 BEAEMN CC(C)(C)N1N=C(c2ccccc2)CC1=O ZINC000095081834 188015563 /nfs/dbraw/zinc/01/55/63/188015563.db2.gz LYSFXGSOLKDXPT-UHFFFAOYSA-N 0 1 216.284 2.422 10 0 BEAEMN CC(C)=CC1C(=O)N=C(CC(C)C)C1=O ZINC000100234812 188039335 /nfs/dbraw/zinc/03/93/35/188039335.db2.gz SCVBNACRSBOLRU-VIFPVBQESA-N 0 1 207.273 2.165 10 0 BEAEMN Cc1cccc(NCC[C@H]2CCCO2)n1 ZINC000038097440 188282949 /nfs/dbraw/zinc/28/29/49/188282949.db2.gz JDVXCFNNIHYDQV-LLVKDONJSA-N 0 1 206.289 2.371 10 0 BEAEMN CC(C)(C)[C@@H]1CCCC[C@]1(N)c1ncon1 ZINC000036762007 188285924 /nfs/dbraw/zinc/28/59/24/188285924.db2.gz GEWUGPBKFFGLBS-JOYOIKCWSA-N 0 1 223.320 2.460 10 0 BEAEMN CCCn1ccnc1[C@@H](N)c1ccccc1 ZINC000041110153 188292927 /nfs/dbraw/zinc/29/29/27/188292927.db2.gz LIDSNCJJRGXYGN-LBPRGKRZSA-N 0 1 215.300 2.341 10 0 BEAEMN Cn1cc(CN[C@H]2CCc3c2cccc3F)cn1 ZINC000111356498 188327249 /nfs/dbraw/zinc/32/72/49/188327249.db2.gz GCMUSLGVBLXQDZ-AWEZNQCLSA-N 0 1 245.301 2.336 10 0 BEAEMN CCC(CC)n1ccc(CN[C@H](C)COC)n1 ZINC000085172470 538115709 /nfs/dbraw/zinc/11/57/09/538115709.db2.gz BMHLOPIBYUTDPY-LLVKDONJSA-N 0 1 239.363 2.369 10 0 BEAEMN Cc1ccc(Br)cc1C(=O)[C@@H](C)N ZINC000083255750 188355673 /nfs/dbraw/zinc/35/56/73/188355673.db2.gz KZCSMFLTQSRPLU-SSDOTTSWSA-N 0 1 242.116 2.287 10 0 BEAEMN CC1CC([N@H+]2CCCC[C@@]2(C)C(=O)[O-])C1 ZINC000232815457 353582319 /nfs/dbraw/zinc/58/23/19/353582319.db2.gz NYDDPPXKUMAJPZ-CBINBANVSA-N 0 1 211.305 2.114 10 0 BEAEMN CC1CC([N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000232815106 353582324 /nfs/dbraw/zinc/58/23/24/353582324.db2.gz QMMPHRWDTTVKEE-VQXHTEKXSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](CC1CC1)Nc1nc[nH]c(=O)c1Cl ZINC000165828079 353726471 /nfs/dbraw/zinc/72/64/71/353726471.db2.gz CPOAXUHKUDHJNF-ZCFIWIBFSA-N 0 1 227.695 2.024 10 0 BEAEMN COC(C)(C)c1csc([C@@H](C)N)n1 ZINC000301015896 363295578 /nfs/dbraw/zinc/29/55/78/363295578.db2.gz OZSYGVISRUWFPO-ZCFIWIBFSA-N 0 1 200.307 2.044 10 0 BEAEMN CC1=NC(=S)N([C@H]2CCOC[C@H]2C)C1 ZINC000301028273 363340137 /nfs/dbraw/zinc/34/01/37/363340137.db2.gz QGRBIPVSMMYLAE-APPZFPTMSA-N 0 1 212.318 2.078 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1ncc(Cl)n1C ZINC000233307494 363399753 /nfs/dbraw/zinc/39/97/53/363399753.db2.gz SERPZODMCRUMHD-RKDXNWHRSA-N 0 1 227.739 2.352 10 0 BEAEMN CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000040502206 358492841 /nfs/dbraw/zinc/49/28/41/358492841.db2.gz TYSUAUATUFGURP-NWDGAFQWSA-N 0 1 222.332 2.415 10 0 BEAEMN CCCN(C)c1c(N)cncc1Br ZINC000233003470 355276427 /nfs/dbraw/zinc/27/64/27/355276427.db2.gz DJXFBMCATKQGOZ-UHFFFAOYSA-N 0 1 244.136 2.273 10 0 BEAEMN CC[N@H+]1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC000389197801 355839586 /nfs/dbraw/zinc/83/95/86/355839586.db2.gz XUZSUFBXXMLVGJ-ZDUSSCGKSA-N 0 1 236.334 2.318 10 0 BEAEMN C[C@](N)(C(=O)c1ccc(F)cc1)C1CC1 ZINC000168566871 356422367 /nfs/dbraw/zinc/42/23/67/356422367.db2.gz RXJLMPNFTTZTEV-GFCCVEGCSA-N 0 1 207.248 2.136 10 0 BEAEMN Cc1ccccc1C(=O)[C@@](C)(N)C1CC1 ZINC000168584136 356426487 /nfs/dbraw/zinc/42/64/87/356426487.db2.gz ZCRPHPLSLQUVNJ-ZDUSSCGKSA-N 0 1 203.285 2.305 10 0 BEAEMN C[C@@H]1CO[C@H](c2ccc(Cl)s2)CN1 ZINC000035286469 356474717 /nfs/dbraw/zinc/47/47/17/356474717.db2.gz PQHXSCSSYWJBPU-RQJHMYQMSA-N 0 1 217.721 2.451 10 0 BEAEMN CCc1cn2c(n1)[C@H](CC(F)F)NCCC2 ZINC000675067658 538495248 /nfs/dbraw/zinc/49/52/48/538495248.db2.gz GKVOFGMUDGTBIH-VIFPVBQESA-N 0 1 229.274 2.135 10 0 BEAEMN CC[C@H](C)c1ncc(Br)c(=O)[nH]1 ZINC000085449476 538541878 /nfs/dbraw/zinc/54/18/78/538541878.db2.gz FMPJYGLHQZBMSI-YFKPBYRVSA-N 0 1 231.093 2.046 10 0 BEAEMN Fc1cccc([C@@H]2C[C@@H](F)CN2)c1F ZINC000675082622 538523622 /nfs/dbraw/zinc/52/36/22/538523622.db2.gz QJGSIERRBPZAFW-MUWHJKNJSA-N 0 1 201.191 2.337 10 0 BEAEMN O=C([O-])[C@H]1CCCC[N@H+]1C1CCCCC1 ZINC000035299407 356713175 /nfs/dbraw/zinc/71/31/75/356713175.db2.gz KXKWMNBEEDWXCL-LLVKDONJSA-N 0 1 211.305 2.258 10 0 BEAEMN CCOP(=O)(OCC)[C@@]1(C)CCC=[N+]1[O-] ZINC000223788273 357068097 /nfs/dbraw/zinc/06/80/97/357068097.db2.gz UDBVYMDWZYWQCC-VIFPVBQESA-N 0 1 236.228 2.235 10 0 BEAEMN C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCCC1(F)F ZINC000394570248 357360371 /nfs/dbraw/zinc/36/03/71/357360371.db2.gz RJBSYGJDROMYOD-VIFPVBQESA-N 0 1 235.274 2.218 10 0 BEAEMN Cc1cnc([C@H](C)NCCc2ccncc2)o1 ZINC000231742487 357623863 /nfs/dbraw/zinc/62/38/63/357623863.db2.gz YPZANFBMPVZWLE-NSHDSACASA-N 0 1 231.299 2.271 10 0 BEAEMN CCC[N@@H+](C)C1CCC(C)(C(=O)[O-])CC1 ZINC000685947038 538888993 /nfs/dbraw/zinc/88/89/93/538888993.db2.gz IAQUHKYDTPROAD-UHFFFAOYSA-N 0 1 213.321 2.362 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)CCS1 ZINC000190515555 357713681 /nfs/dbraw/zinc/71/36/81/357713681.db2.gz YMTPEICVMZBCRA-YPMHNXCESA-N 0 1 243.416 2.365 10 0 BEAEMN N=C(Cc1ccccc1O)[C@H]1CCCO1 ZINC000584608093 358268581 /nfs/dbraw/zinc/26/85/81/358268581.db2.gz NZEYIYHITYXUHL-GFCCVEGCSA-N 0 1 205.257 2.133 10 0 BEAEMN O=C1C[C@@H]2CCCC[N@H+]2[C@@H]2CCCC[C@@H]12 ZINC000584640294 358326103 /nfs/dbraw/zinc/32/61/03/358326103.db2.gz WCDUTRLMENMCKQ-QJPTWQEYSA-N 0 1 207.317 2.373 10 0 BEAEMN CC(C)[C@H]1CCSC(NCC(F)F)=N1 ZINC000231099317 358741859 /nfs/dbraw/zinc/74/18/59/358741859.db2.gz HMGSHGXVONFVQD-SSDOTTSWSA-N 0 1 222.304 2.359 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1c(F)cccc1F ZINC000134099322 358779125 /nfs/dbraw/zinc/77/91/25/358779125.db2.gz QMYXRKYRWWEYTE-PRHODGIISA-N 0 1 227.254 2.232 10 0 BEAEMN CCCCC[N@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000246725528 359159772 /nfs/dbraw/zinc/15/97/72/359159772.db2.gz OTNJEGGTXMEENO-AWEZNQCLSA-N 0 1 242.407 2.219 10 0 BEAEMN Cc1nnc([C@@]2(N)CCC[C@H](C)C2)s1 ZINC000306217510 359331884 /nfs/dbraw/zinc/33/18/84/359331884.db2.gz DCDRXVXHNQAAGT-OIBJUYFYSA-N 0 1 211.334 2.211 10 0 BEAEMN N[C@H](c1ccc(Br)o1)C1=COCC1 ZINC000306484321 360159211 /nfs/dbraw/zinc/15/92/11/360159211.db2.gz PSMXOYDQVVNYLD-VIFPVBQESA-N 0 1 244.088 2.346 10 0 BEAEMN C[C@H](C[N@H+]1CCCC12CCCC2)C(=O)[O-] ZINC000306515296 360341280 /nfs/dbraw/zinc/34/12/80/360341280.db2.gz CQSFEABFJGYBSR-SNVBAGLBSA-N 0 1 211.305 2.116 10 0 BEAEMN CCC1(Nc2nc[nH]c(=O)c2Cl)CC1 ZINC000306545378 360414228 /nfs/dbraw/zinc/41/42/28/360414228.db2.gz AUHUWYQZHDXMCR-UHFFFAOYSA-N 0 1 213.668 2.190 10 0 BEAEMN N[C@@H](CF)c1cc2c(cc1Cl)OCO2 ZINC000238575470 361157149 /nfs/dbraw/zinc/15/71/49/361157149.db2.gz SZFJFRPZGRTNRS-ZETCQYMHSA-N 0 1 217.627 2.038 10 0 BEAEMN [NH3+]C1(c2ccc([O-])c(Br)c2)CCC1 ZINC000096877767 181333516 /nfs/dbraw/zinc/33/35/16/181333516.db2.gz LBECIZBAOWYFKV-UHFFFAOYSA-N 0 1 242.116 2.493 10 0 BEAEMN NC1(c2nc3c(s2)CCCCC3)CC1 ZINC000083345582 181334795 /nfs/dbraw/zinc/33/47/95/181334795.db2.gz DKSIWVWTBMXNOF-UHFFFAOYSA-N 0 1 208.330 2.360 10 0 BEAEMN NC1(c2noc(Cc3ccccc3)n2)CCCC1 ZINC000041153254 181336283 /nfs/dbraw/zinc/33/62/83/181336283.db2.gz ZSMSOQIJPVNRQV-UHFFFAOYSA-N 0 1 243.310 2.388 10 0 BEAEMN NC1(c2noc(-c3cccnc3)n2)CCCCC1 ZINC000041153527 181336287 /nfs/dbraw/zinc/33/62/87/181336287.db2.gz OJKUVXABIGEJNH-UHFFFAOYSA-N 0 1 244.298 2.250 10 0 BEAEMN NC1(c2noc(C(F)(F)F)n2)CCCCC1 ZINC000036765076 181336849 /nfs/dbraw/zinc/33/68/49/181336849.db2.gz AVAJALZMEVIFSD-UHFFFAOYSA-N 0 1 235.209 2.207 10 0 BEAEMN Cc1cc(/C=C\[C@@H]2COCCN2)cs1 ZINC000381611715 361495452 /nfs/dbraw/zinc/49/54/52/361495452.db2.gz PHRBUWHJXROODL-OTDNITJGSA-N 0 1 209.314 2.058 10 0 BEAEMN N=C1N[C@@H](C2CCC2)Nc2cccc(F)c21 ZINC000013493542 181339399 /nfs/dbraw/zinc/33/93/99/181339399.db2.gz TWDKMKHCHFFGDT-LBPRGKRZSA-N 0 1 219.263 2.083 10 0 BEAEMN CCCN1CCc2[nH]c(=S)sc2C1 ZINC000070598308 361581461 /nfs/dbraw/zinc/58/14/61/361581461.db2.gz NCOMJZPYBCNUGZ-UHFFFAOYSA-N 0 1 214.359 2.200 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@H+]1CCCC12CCCC2 ZINC000306638339 361586838 /nfs/dbraw/zinc/58/68/38/361586838.db2.gz NBZMSUVIIRYQEK-SNVBAGLBSA-N 0 1 211.305 2.258 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381527580 367424683 /nfs/dbraw/zinc/42/46/83/367424683.db2.gz OMAJSLUVPIJPSG-IUCAKERBSA-N 0 1 235.274 2.217 10 0 BEAEMN C[C@H](C1CC1)[N@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252808138 368159404 /nfs/dbraw/zinc/15/94/04/368159404.db2.gz JPZMVDQGCVWJNP-BXKDBHETSA-N 0 1 211.305 2.114 10 0 BEAEMN COCCSc1nc(-c2ccccc2)n[nH]1 ZINC000026070426 368233532 /nfs/dbraw/zinc/23/35/32/368233532.db2.gz ZXKRNDDENOFGHQ-UHFFFAOYSA-N 0 1 235.312 2.210 10 0 BEAEMN CCN(Cc1ncccc1C(=O)OC)C1CCC1 ZINC000459379169 203271012 /nfs/dbraw/zinc/27/10/12/203271012.db2.gz RFAFQYDUEURQDO-UHFFFAOYSA-N 0 1 248.326 2.243 10 0 BEAEMN C(c1noc2c1CCCC2)N1CCCC1 ZINC000108850222 369411519 /nfs/dbraw/zinc/41/15/19/369411519.db2.gz MNDAEYGIGZGVJY-UHFFFAOYSA-N 0 1 206.289 2.149 10 0 BEAEMN NCc1ccc(C(=O)Nc2cccc(F)c2)o1 ZINC000011628137 181481209 /nfs/dbraw/zinc/48/12/09/181481209.db2.gz IACPVXMYNMMPIM-UHFFFAOYSA-N 0 1 234.230 2.130 10 0 BEAEMN N[C@@H](Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000006580464 181556700 /nfs/dbraw/zinc/55/67/00/181556700.db2.gz USTQWSXTPXSCQL-HNNXBMFYSA-N 0 1 239.318 2.368 10 0 BEAEMN N[C@@H](Cc1ccccc1Cl)c1ncccn1 ZINC000037467278 181557534 /nfs/dbraw/zinc/55/75/34/181557534.db2.gz YOSYSVUCUDLFJS-NSHDSACASA-N 0 1 233.702 2.373 10 0 BEAEMN Nc1cnc(-c2ccc(O)c(Cl)c2)nc1 ZINC000043476947 181766336 /nfs/dbraw/zinc/76/63/36/181766336.db2.gz MMEYSZCIVXSKOL-UHFFFAOYSA-N 0 1 221.647 2.085 10 0 BEAEMN CN[C@@H]1COc2c1c(Br)ccc2F ZINC000126645988 371541903 /nfs/dbraw/zinc/54/19/03/371541903.db2.gz JBXILIQTGMGFPT-SSDOTTSWSA-N 0 1 246.079 2.241 10 0 BEAEMN F[C@@H]([C@H]1CCCCN1)C(F)(F)Br ZINC000225685513 371566290 /nfs/dbraw/zinc/56/62/90/371566290.db2.gz GHFPVZVJSIAQII-RITPCOANSA-N 0 1 246.070 2.454 10 0 BEAEMN C[C@@H](c1ccsc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445185 371669234 /nfs/dbraw/zinc/66/92/34/371669234.db2.gz PYOUGHXWWMOYRB-DTWKUNHWSA-N 0 1 225.313 2.216 10 0 BEAEMN C[C@@H]1CC[N@H+]1[C@@H](C(=O)[O-])C1CCCCC1 ZINC000226286181 371639048 /nfs/dbraw/zinc/63/90/48/371639048.db2.gz PBOWTWVZENQJKH-MWLCHTKSSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1ccc(C(=O)c2ccc(CN)o2)s1 ZINC000226658307 371717732 /nfs/dbraw/zinc/71/77/32/371717732.db2.gz KFBGUADCYUMMRM-UHFFFAOYSA-N 0 1 221.281 2.339 10 0 BEAEMN C[C@H]1SCCN(CC(=O)C(C)(C)C)[C@@H]1C ZINC000132579758 371864723 /nfs/dbraw/zinc/86/47/23/371864723.db2.gz LFIWGJYQUSBQSK-NXEZZACHSA-N 0 1 229.389 2.427 10 0 BEAEMN C[C@@H]1CC[N@H+]1[C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000227566671 371895026 /nfs/dbraw/zinc/89/50/26/371895026.db2.gz QVJKTRYKRBOBMM-CKYFFXLPSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1sccc1C(=O)[C@@H]1CCCCN1 ZINC000227878511 371950910 /nfs/dbraw/zinc/95/09/10/371950910.db2.gz DKBQWOVOKUNXFO-JTQLQIEISA-N 0 1 209.314 2.381 10 0 BEAEMN CN[C@@H]1COc2c1c(Br)ccc2C ZINC000228358043 372018901 /nfs/dbraw/zinc/01/89/01/372018901.db2.gz DYRCJSGVKAMRCH-MRVPVSSYSA-N 0 1 242.116 2.410 10 0 BEAEMN CC(C)(C)c1nnsc1[C@@H](N)C1CC1 ZINC000163615145 372020262 /nfs/dbraw/zinc/02/02/62/372020262.db2.gz YPIWLLVGKRUOBL-ZETCQYMHSA-N 0 1 211.334 2.245 10 0 BEAEMN CC1=NC(=S)N([C@H]2CCSC2)C1 ZINC000231375085 372022596 /nfs/dbraw/zinc/02/25/96/372022596.db2.gz CHVHDJRTJHELNY-ZETCQYMHSA-N 0 1 200.332 2.158 10 0 BEAEMN C[C@H](NC(=O)C(F)(F)F)c1ccccc1N ZINC000229556132 372164256 /nfs/dbraw/zinc/16/42/56/372164256.db2.gz BCVDNJAJGOAIDT-LURJTMIESA-N 0 1 232.205 2.008 10 0 BEAEMN O=C([O-])[C@H]1CCCCCC[N@H+]1C/C=C\Cl ZINC000379794388 373063386 /nfs/dbraw/zinc/06/33/86/373063386.db2.gz INGCNWMLPJCKEL-ONRRBMGISA-N 0 1 231.723 2.458 10 0 BEAEMN CSC[C@H](N)c1occc1Br ZINC000068982987 373101277 /nfs/dbraw/zinc/10/12/77/373101277.db2.gz SUNWXTUKFVXHMT-LURJTMIESA-N 0 1 236.134 2.405 10 0 BEAEMN O=c1[nH]nc(Cc2cccc(Cl)c2)o1 ZINC000070030746 374114137 /nfs/dbraw/zinc/11/41/37/374114137.db2.gz WFUPBDRGAVTVPO-UHFFFAOYSA-N 0 1 210.620 2.019 10 0 BEAEMN CCCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106424573 168855324 /nfs/dbraw/zinc/85/53/24/168855324.db2.gz OTJIEGDNYOMOBL-CQSZACIVSA-N 0 1 248.370 2.076 10 0 BEAEMN Cc1ncsc1CNC1=N[C@@H](C)CS1 ZINC000070916986 374229940 /nfs/dbraw/zinc/22/99/40/374229940.db2.gz FGZGCHOHDBPWOB-LURJTMIESA-N 0 1 227.358 2.032 10 0 BEAEMN O=C(Nc1cncc2nc[nH]c21)c1ccccc1 ZINC000089203356 182393934 /nfs/dbraw/zinc/39/39/34/182393934.db2.gz RNPPBNVRQRPXCI-UHFFFAOYSA-N 0 1 238.250 2.210 10 0 BEAEMN OCCNC1c2ccccc2Oc2ccccc21 ZINC000037376490 183077482 /nfs/dbraw/zinc/07/74/82/183077482.db2.gz BAXBSFCJNGGMEJ-UHFFFAOYSA-N 0 1 241.290 2.464 10 0 BEAEMN CCCCc1ccc(C(=O)CNC)cc1 ZINC000041213901 169019536 /nfs/dbraw/zinc/01/95/36/169019536.db2.gz WELJWQXUNVLBPG-UHFFFAOYSA-N 0 1 205.301 2.431 10 0 BEAEMN CCCCc1ccc(-n2nnnc2[C@@H](C)N)cc1 ZINC000062493949 169019666 /nfs/dbraw/zinc/01/96/66/169019666.db2.gz CHYZQBNEGVGWCP-SNVBAGLBSA-N 0 1 245.330 2.025 10 0 BEAEMN OCc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 ZINC000036449436 183160551 /nfs/dbraw/zinc/16/05/51/183160551.db2.gz PSBSTRRGNORRCZ-UHFFFAOYSA-N 0 1 232.327 2.370 10 0 BEAEMN OCc1cnc([C@@H]2CCCc3ccccc32)[nH]1 ZINC000063158686 183160556 /nfs/dbraw/zinc/16/05/56/183160556.db2.gz OFUVKNWBYRDLDR-CYBMUJFWSA-N 0 1 228.295 2.370 10 0 BEAEMN OCc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC000089195950 183170183 /nfs/dbraw/zinc/17/01/83/183170183.db2.gz VOZDCDAVSROFGA-UHFFFAOYSA-N 0 1 216.162 2.074 10 0 BEAEMN O[C@H]1/C(=C\c2ccsc2)N2CCC1CC2 ZINC000033477351 183230393 /nfs/dbraw/zinc/23/03/93/183230393.db2.gz HNBVTNPDDZRELH-YTRUQHMWSA-N 0 1 221.325 2.176 10 0 BEAEMN O=c1cc(C(F)(F)F)nc([C@@H]2CCCC[NH2+]2)[n-]1 ZINC000071396344 183256824 /nfs/dbraw/zinc/25/68/24/183256824.db2.gz ALAKRTUESKWHDP-LURJTMIESA-N 0 1 247.220 2.016 10 0 BEAEMN CCC[N@H+]1CCO[C@@H](c2ccc(O)cc2)C1 ZINC000028957453 169205425 /nfs/dbraw/zinc/20/54/25/169205425.db2.gz IZHCCKWRFAIIPH-CYBMUJFWSA-N 0 1 221.300 2.176 10 0 BEAEMN CCCN1CCO[C@@H](c2ccc(O)cc2)C1 ZINC000028957453 169205427 /nfs/dbraw/zinc/20/54/27/169205427.db2.gz IZHCCKWRFAIIPH-CYBMUJFWSA-N 0 1 221.300 2.176 10 0 BEAEMN CCC[N@H+]1CCO[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026824949 169204484 /nfs/dbraw/zinc/20/44/84/169204484.db2.gz JCSREICEMHWFAY-LSDHHAIUSA-N 0 1 247.338 2.490 10 0 in-vitro BEAEMN CCCN1CCO[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026824949 169204486 /nfs/dbraw/zinc/20/44/86/169204486.db2.gz JCSREICEMHWFAY-LSDHHAIUSA-N 0 1 247.338 2.490 10 0 in-vitro BEAEMN c1cc(C2CC2)nc([C@@H]2CCCCN2)n1 ZINC000070951548 183335476 /nfs/dbraw/zinc/33/54/76/183335476.db2.gz DTGAKBNIGMUGEN-NSHDSACASA-N 0 1 203.289 2.169 10 0 BEAEMN c1[nH]nc2ccc(-n3cc(C4CC4)nn3)cc12 ZINC000066074593 183363380 /nfs/dbraw/zinc/36/33/80/183363380.db2.gz RDYFJWQIHCYPRF-UHFFFAOYSA-N 0 1 225.255 2.021 10 0 BEAEMN c1cc(OCC2CCC2)cc2nn[nH]c12 ZINC000040542568 183365650 /nfs/dbraw/zinc/36/56/50/183365650.db2.gz FKLBQCWXSJYAQK-UHFFFAOYSA-N 0 1 203.245 2.137 10 0 BEAEMN CCCN[C@H](c1cncnc1)c1cccc(C)n1 ZINC000104163684 169290539 /nfs/dbraw/zinc/29/05/39/169290539.db2.gz NOFZIASNFLLMSH-CQSZACIVSA-N 0 1 242.326 2.269 10 0 BEAEMN CCCO[C@H]1CCCN([C@@H]2CCCCC2=O)C1 ZINC000042423653 169312736 /nfs/dbraw/zinc/31/27/36/169312736.db2.gz JBNYVKVUBHJCQW-QWHCGFSZSA-N 0 1 239.359 2.389 10 0 BEAEMN CCCOc1c(O)[nH]c2ccccc2c1=O ZINC000039410352 169313720 /nfs/dbraw/zinc/31/37/20/169313720.db2.gz GXDYTXBLZLMJQP-UHFFFAOYSA-N 0 1 219.240 2.023 10 0 BEAEMN CCCOc1c(O)c2ccccc2[nH]c1=O ZINC000039410352 169313722 /nfs/dbraw/zinc/31/37/22/169313722.db2.gz GXDYTXBLZLMJQP-UHFFFAOYSA-N 0 1 219.240 2.023 10 0 BEAEMN CCCN[C@H]1COc2cc(F)cc(F)c21 ZINC000054932004 169292706 /nfs/dbraw/zinc/29/27/06/169292706.db2.gz MCUNTSUHDDNMIT-VIFPVBQESA-N 0 1 213.227 2.398 10 0 BEAEMN CCCNc1nc2c(s1)CN(CC)CC2 ZINC000061714429 169297021 /nfs/dbraw/zinc/29/70/21/169297021.db2.gz PWNOULYEMBHGMM-UHFFFAOYSA-N 0 1 225.361 2.343 10 0 BEAEMN CCC[C@@H](C(=O)Nc1cccc(O)c1)N(C)C ZINC000093900461 169346040 /nfs/dbraw/zinc/34/60/40/169346040.db2.gz WWORHGNIAYFXPR-LBPRGKRZSA-N 0 1 236.315 2.061 10 0 BEAEMN CCC[C@@H](N)C(=O)Cc1cccc(C)c1 ZINC000082379447 169387117 /nfs/dbraw/zinc/38/71/17/169387117.db2.gz HLVLUXFEJIFTFL-GFCCVEGCSA-N 0 1 205.301 2.234 10 0 BEAEMN CCCc1ccc(-c2c[nH]c(CN)n2)cc1 ZINC000036870963 169568764 /nfs/dbraw/zinc/56/87/64/169568764.db2.gz AFEXFPDZRKSWSI-UHFFFAOYSA-N 0 1 215.300 2.488 10 0 BEAEMN O[C@@H]1CCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000225359600 134354858 /nfs/dbraw/zinc/35/48/58/134354858.db2.gz ILXMKFQPRWERHN-HTQZYQBOSA-N 0 1 246.763 2.047 10 0 BEAEMN C[C@H](NCC(=O)NC(C)(C)C)c1cccs1 ZINC000035138567 383833962 /nfs/dbraw/zinc/83/39/62/383833962.db2.gz FLDHKDGTHZIQTJ-VIFPVBQESA-N 0 1 240.372 2.313 10 0 BEAEMN CCc1cccc2c([C@H](N)C(C)=O)c[nH]c21 ZINC000089203997 383946490 /nfs/dbraw/zinc/94/64/90/383946490.db2.gz HWLHIJIGNPGOEU-GFCCVEGCSA-N 0 1 216.284 2.319 10 0 BEAEMN CN(C)c1n[nH]c2nc(-c3ccccc3)ncc21 ZINC000089222563 383950206 /nfs/dbraw/zinc/95/02/06/383950206.db2.gz GXYVSWIFASSYJG-UHFFFAOYSA-N 0 1 239.282 2.086 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C(=O)[O-] ZINC000304203080 384020236 /nfs/dbraw/zinc/02/02/36/384020236.db2.gz YHCLYRUYRFDNLI-OPRDCNLKSA-N 0 1 247.285 2.074 10 0 BEAEMN O=C([O-])C[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000038027598 384058708 /nfs/dbraw/zinc/05/87/08/384058708.db2.gz HILGSDBFLVKOMW-LLVKDONJSA-N 0 1 211.305 2.258 10 0 BEAEMN Cc1n[nH]c2c1[C@@H](O)C[C@@H](c1ccco1)C2 ZINC000072415236 384099050 /nfs/dbraw/zinc/09/90/50/384099050.db2.gz WZNMXAFMPVUZEK-WPRPVWTQSA-N 0 1 218.256 2.075 10 0 BEAEMN Cc1n[nH]c2c1[C@H](O)C[C@@H](c1ccco1)C2 ZINC000072415238 384099176 /nfs/dbraw/zinc/09/91/76/384099176.db2.gz WZNMXAFMPVUZEK-WCBMZHEXSA-N 0 1 218.256 2.075 10 0 BEAEMN c1snnc1CNCCC1=CCCC1 ZINC000133525141 384255876 /nfs/dbraw/zinc/25/58/76/384255876.db2.gz UGLQWTOGTZIPGK-UHFFFAOYSA-N 0 1 209.318 2.128 10 0 BEAEMN CC1(C)[C@@H](NCc2cscn2)[C@@H]2CCO[C@@H]21 ZINC000082944463 384276845 /nfs/dbraw/zinc/27/68/45/384276845.db2.gz SJVYTOMOWDTVSI-DCAQKATOSA-N 0 1 238.356 2.046 10 0 BEAEMN COC(=O)[C@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000093954915 384282784 /nfs/dbraw/zinc/28/27/84/384282784.db2.gz QISHTJPQSJDTSQ-RYUDHWBXSA-N 0 1 232.279 2.312 10 0 BEAEMN Cc1cc(CC(=O)NC2CCC(C)(C)CC2)[nH]n1 ZINC000120406164 384349408 /nfs/dbraw/zinc/34/94/08/384349408.db2.gz CJGVZBFLNUUWNM-UHFFFAOYSA-N 0 1 249.358 2.346 10 0 BEAEMN CC[C@@H](C)CN(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134323825 384349804 /nfs/dbraw/zinc/34/98/04/384349804.db2.gz MWNMLGPBLOWQSJ-MNOVXSKESA-N 0 1 249.358 2.334 10 0 BEAEMN FC(F)(F)NC[C@@H]1CCCCN1C1CC1 ZINC000095077051 384353707 /nfs/dbraw/zinc/35/37/07/384353707.db2.gz KRSGXPURGXELAI-VIFPVBQESA-N 0 1 222.254 2.113 10 0 BEAEMN C[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@H]1C ZINC000134465347 384357808 /nfs/dbraw/zinc/35/78/08/384357808.db2.gz ISGAHTMSIREDOI-OUAUKWLOSA-N 0 1 247.342 2.087 10 0 BEAEMN Cc1cnc([C@H](C)NCCC[C@H]2CCOC2)o1 ZINC000400528575 384408705 /nfs/dbraw/zinc/40/87/05/384408705.db2.gz GSPWZYLKDNRJAA-RYUDHWBXSA-N 0 1 238.331 2.450 10 0 BEAEMN COc1cc(Br)cc2[nH][nH]c(=O)c21 ZINC000014984096 384411879 /nfs/dbraw/zinc/41/18/79/384411879.db2.gz ZWYOFRJTJPPCCX-UHFFFAOYSA-N 0 1 243.060 2.040 10 0 BEAEMN COC(=O)c1c(O)n(C(C)(C)C)c2ncccc21 ZINC000045328706 384386734 /nfs/dbraw/zinc/38/67/34/384386734.db2.gz RBNWAJJWABDZJB-UHFFFAOYSA-N 0 1 248.282 2.284 10 0 BEAEMN COc1ccc(Br)c([C@@H](N)CF)c1 ZINC000238432297 384665278 /nfs/dbraw/zinc/66/52/78/384665278.db2.gz HKYQWNQYKAGBTD-VIFPVBQESA-N 0 1 248.095 2.427 10 0 BEAEMN Cc1nccc(N2C[C@@H](C)C[C@H](O)C2)c1Cl ZINC000334812696 384735035 /nfs/dbraw/zinc/73/50/35/384735035.db2.gz MKRNTUBQLMOHIL-WPRPVWTQSA-N 0 1 240.734 2.251 10 0 BEAEMN C[C@@H](NCc1c[nH]nn1)c1ccc(Cl)s1 ZINC000398327658 384737658 /nfs/dbraw/zinc/73/76/58/384737658.db2.gz GJNVEOSCFQPCRO-ZCFIWIBFSA-N 0 1 242.735 2.370 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1csc(C2CC2)n1 ZINC000309973871 384754937 /nfs/dbraw/zinc/75/49/37/384754937.db2.gz RFJKBIGIQIBISR-GZMMTYOYSA-N 0 1 238.356 2.288 10 0 BEAEMN CCOc1ccc2ncc3c(=O)[nH][nH]c3c2c1 ZINC000072237229 384840855 /nfs/dbraw/zinc/84/08/55/384840855.db2.gz FXYXDGZNYVHOMR-UHFFFAOYSA-N 0 1 229.239 2.215 10 0 BEAEMN Cc1ccnc(NC[C@@H](O)C2CCCC2)c1 ZINC000301667183 384908477 /nfs/dbraw/zinc/90/84/77/384908477.db2.gz XDRGTVVQKAGFKM-GFCCVEGCSA-N 0 1 220.316 2.353 10 0 BEAEMN Cc1ccnc(NCCOCC(C)C)c1 ZINC000131061590 385071213 /nfs/dbraw/zinc/07/12/13/385071213.db2.gz DHGRHLOPHADCLF-UHFFFAOYSA-N 0 1 208.305 2.475 10 0 BEAEMN C[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751205 385257471 /nfs/dbraw/zinc/25/74/71/385257471.db2.gz ZWBDSPFRBFJPPP-QWRGUYRKSA-N 0 1 211.305 2.114 10 0 BEAEMN CCCCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000131537154 385342835 /nfs/dbraw/zinc/34/28/35/385342835.db2.gz VWPDGEWYBCJGTK-SNVBAGLBSA-N 0 1 235.331 2.136 10 0 BEAEMN CCCCN(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000131837412 385365719 /nfs/dbraw/zinc/36/57/19/385365719.db2.gz KKVHKMWDWRMYGK-JTQLQIEISA-N 0 1 235.331 2.088 10 0 BEAEMN Cc1noc(C)c1CN1CCS[C@@H](C)C1 ZINC000171701475 385510566 /nfs/dbraw/zinc/51/05/66/385510566.db2.gz CGZGZEUKCOPAQH-QMMMGPOBSA-N 0 1 226.345 2.229 10 0 BEAEMN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106429665 385511149 /nfs/dbraw/zinc/51/11/49/385511149.db2.gz PNYDEBVYGBFHKK-CQSZACIVSA-N 0 1 248.370 2.028 10 0 BEAEMN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1cscn1 ZINC000252787839 385659526 /nfs/dbraw/zinc/65/95/26/385659526.db2.gz GSYLWRYUBBFREX-GARJFASQSA-N 0 1 240.372 2.345 10 0 BEAEMN C[C@@H]1CC[C@](N)(c2nccs2)CS1 ZINC000575533451 385893822 /nfs/dbraw/zinc/89/38/22/385893822.db2.gz BRQRVOBVKPPMCY-VXNVDRBHSA-N 0 1 214.359 2.213 10 0 BEAEMN CC(C)CCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121686151 385899159 /nfs/dbraw/zinc/89/91/59/385899159.db2.gz JFUZMOZVZCNZIQ-NSHDSACASA-N 0 1 222.336 2.378 10 0 BEAEMN CCOC(=O)c1ccccc1[C@@H]1CC[N@@H+](C)C1 ZINC000260465615 385866471 /nfs/dbraw/zinc/86/64/71/385866471.db2.gz RKLFFWDNPBIXSE-LLVKDONJSA-N 0 1 233.311 2.282 10 0 BEAEMN N=c1[nH]oc([C@]23C[C@H]2CCC3)c1Br ZINC000575531041 385874185 /nfs/dbraw/zinc/87/41/85/385874185.db2.gz GNJCPVXAPFXSJK-MLUIRONXSA-N 0 1 243.104 2.291 10 0 BEAEMN C/C=C/[C@H](N)c1ncsc1Br ZINC000575588095 386305957 /nfs/dbraw/zinc/30/59/57/386305957.db2.gz HGJNTHYIYGSZTM-HRJJCQLASA-N 0 1 233.134 2.482 10 0 BEAEMN C[C@]1(c2nc(-c3cccnc3)no2)CCCCN1 ZINC000133833904 386378623 /nfs/dbraw/zinc/37/86/23/386378623.db2.gz ZDISDMZBMMGGSI-CYBMUJFWSA-N 0 1 244.298 2.120 10 0 BEAEMN C[C@H]1CC[C@@H](O)CN1Cc1nc2ccccc2o1 ZINC000399196931 386446790 /nfs/dbraw/zinc/44/67/90/386446790.db2.gz DMKAZUKLAINNEG-WDEREUQCSA-N 0 1 246.310 2.173 10 0 BEAEMN C[C@@H]1C[C@@H](C)CC(N)(C(=O)OC(C)(C)C)C1 ZINC000521401013 386450669 /nfs/dbraw/zinc/45/06/69/386450669.db2.gz VGXBIEBGSDJOHR-NXEZZACHSA-N 0 1 227.348 2.482 10 0 BEAEMN C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000293248655 386788528 /nfs/dbraw/zinc/78/85/28/386788528.db2.gz LWGOHSVCUCHDMM-SCZZXKLOSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1cccc(O)c1Cl ZINC000293248655 386788532 /nfs/dbraw/zinc/78/85/32/386788532.db2.gz LWGOHSVCUCHDMM-SCZZXKLOSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@@](N)(c1ccsn1)c1cccs1 ZINC000575453834 386829084 /nfs/dbraw/zinc/82/90/84/386829084.db2.gz AOUWXFNXFQSSNE-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN C[C@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000335747225 386869941 /nfs/dbraw/zinc/86/99/41/386869941.db2.gz HQZASUICNCXOKG-DTWKUNHWSA-N 0 1 237.265 2.174 10 0 BEAEMN C[C@H]1CCC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000334855437 386907590 /nfs/dbraw/zinc/90/75/90/386907590.db2.gz XLFAUAQMAJKAEH-DTWKUNHWSA-N 0 1 221.304 2.311 10 0 BEAEMN O=C(c1cncs1)C1CC(F)(F)C1 ZINC000575462761 387033232 /nfs/dbraw/zinc/03/32/32/387033232.db2.gz MKTRRYFADFXVQT-UHFFFAOYSA-N 0 1 203.213 2.371 10 0 BEAEMN c1cncc(CCN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246321246 387071552 /nfs/dbraw/zinc/07/15/52/387071552.db2.gz FMSIOIARHLEVPE-HUUCEWRRSA-N 0 1 246.354 2.268 10 0 BEAEMN c1cncc(CCN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246321233 387072099 /nfs/dbraw/zinc/07/20/99/387072099.db2.gz FMSIOIARHLEVPE-CABCVRRESA-N 0 1 246.354 2.268 10 0 BEAEMN Cc1cc(CC(=O)N[C@H](C)c2ccc(C)o2)[nH]n1 ZINC000120040887 387175887 /nfs/dbraw/zinc/17/58/87/387175887.db2.gz PBTXVKWZULQAJS-SNVBAGLBSA-N 0 1 247.298 2.039 10 0 BEAEMN C/C=C/[C@@H](N)c1ncsc1Br ZINC000575588096 387176867 /nfs/dbraw/zinc/17/68/67/387176867.db2.gz HGJNTHYIYGSZTM-WVSAJJKCSA-N 0 1 233.134 2.482 10 0 BEAEMN OCc1cc(Br)cc(O)c1Cl ZINC000575676285 387359693 /nfs/dbraw/zinc/35/96/93/387359693.db2.gz RXQHIYJYSFHGKJ-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN CC(=O)c1c(O)cc(O)cc1Br ZINC000575687941 387376963 /nfs/dbraw/zinc/37/69/63/387376963.db2.gz ZNIYEWASSQIKQG-UHFFFAOYSA-N 0 1 231.045 2.063 10 0 BEAEMN CC(=O)c1cc(C(F)(F)F)c(O)cc1N ZINC000575719332 387425914 /nfs/dbraw/zinc/42/59/14/387425914.db2.gz QJIVRFWCMKDNBQ-UHFFFAOYSA-N 0 1 219.162 2.196 10 0 BEAEMN C[C@H](NC(=O)CN(C)C)c1cccc(Cl)c1 ZINC000192786790 387494684 /nfs/dbraw/zinc/49/46/84/387494684.db2.gz BVGAYUGKQAKWQC-VIFPVBQESA-N 0 1 240.734 2.079 10 0 BEAEMN Cc1nnc(CN2[C@H](C)CC[C@H]2C)n1C1CC1 ZINC000122925221 387616825 /nfs/dbraw/zinc/61/68/25/387616825.db2.gz MGNSBSJGEAJYQM-NXEZZACHSA-N 0 1 234.347 2.294 10 0 BEAEMN CC[C@@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000035206464 387562409 /nfs/dbraw/zinc/56/24/09/387562409.db2.gz IOEJHQFTEMCYEB-GRYCIOLGSA-N 0 1 249.358 2.035 10 0 BEAEMN C[C@@](N)(c1ccsc1)c1ccns1 ZINC000575548505 387645962 /nfs/dbraw/zinc/64/59/62/387645962.db2.gz DYMIDKYASAWHBD-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN C[C@](N)(c1ccsc1)c1ccsn1 ZINC000575550719 387654534 /nfs/dbraw/zinc/65/45/34/387654534.db2.gz VUDCECNDPUNHSI-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN Cc1noc(CNC2C3CC4CC(C3)CC2C4)n1 ZINC000038034150 387745566 /nfs/dbraw/zinc/74/55/66/387745566.db2.gz WPUHRBUMZICDND-UHFFFAOYSA-N 0 1 247.342 2.292 10 0 BEAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)C ZINC000083703849 388058756 /nfs/dbraw/zinc/05/87/56/388058756.db2.gz ZIGMPHJZDMKLLL-VXGBXAGGSA-N 0 1 238.375 2.118 10 0 BEAEMN CCN(Cc1nnc(C2CC2)n1C)C1CCCC1 ZINC000195082549 388096736 /nfs/dbraw/zinc/09/67/36/388096736.db2.gz LLWTZRJRPLBVAG-UHFFFAOYSA-N 0 1 248.374 2.457 10 0 BEAEMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000057354191 388357207 /nfs/dbraw/zinc/35/72/07/388357207.db2.gz GPWBUSYJURGRIM-CYBMUJFWSA-N 0 1 233.311 2.373 10 0 BEAEMN Cc1cnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)o1 ZINC000229726638 388396873 /nfs/dbraw/zinc/39/68/73/388396873.db2.gz UJBZIRGSKUVYBT-AAEUAGOBSA-N 0 1 249.358 2.042 10 0 BEAEMN Cc1ccc([C@H]2CCC[N@H+]2CC(=O)[O-])s1 ZINC000237792258 388398564 /nfs/dbraw/zinc/39/85/64/388398564.db2.gz GKWPRBFEOHNVSE-SECBINFHSA-N 0 1 225.313 2.278 10 0 BEAEMN CC[C@H](N[C@@H](C)c1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397584886 388481572 /nfs/dbraw/zinc/48/15/72/388481572.db2.gz GZUZMAMSWRVYAJ-DCAQKATOSA-N 0 1 236.363 2.290 10 0 BEAEMN CC[C@H](N[C@@H](C)c1ncn(C)n1)[C@H]1CC1(C)C ZINC000397584880 388481804 /nfs/dbraw/zinc/48/18/04/388481804.db2.gz GZUZMAMSWRVYAJ-AXFHLTTASA-N 0 1 236.363 2.290 10 0 BEAEMN c1cc2cc([C@H]3NCCc4nc[nH]c43)ccc2[nH]1 ZINC000067714092 388407462 /nfs/dbraw/zinc/40/74/62/388407462.db2.gz RRTWGHODAFUTHP-CYBMUJFWSA-N 0 1 238.294 2.126 10 0 BEAEMN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(F)c(F)c1 ZINC000295131220 388408702 /nfs/dbraw/zinc/40/87/02/388408702.db2.gz YKWRNRBOJOEDFO-RNCFNFMXSA-N 0 1 241.281 2.310 10 0 BEAEMN C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000135242923 388487345 /nfs/dbraw/zinc/48/73/45/388487345.db2.gz XDSMWFVRBHWZIZ-GMTAPVOTSA-N 0 1 247.342 2.229 10 0 BEAEMN CC/C=C/CCN1CCCC[C@H]1C(=O)OC ZINC000184390324 388576518 /nfs/dbraw/zinc/57/65/18/388576518.db2.gz MIWHNHPIEKUEKU-ITKZLYELSA-N 0 1 225.332 2.370 10 0 BEAEMN CC[C@@H](NCc1cccc(C)n1)c1cnn(C)c1 ZINC000127205320 388717834 /nfs/dbraw/zinc/71/78/34/388717834.db2.gz FLHXCKFXIDCLCN-CQSZACIVSA-N 0 1 244.342 2.364 10 0 BEAEMN CC(C)CC[N@@H+](CC(=O)[O-])C(C)(C)C ZINC000076583133 166834684 /nfs/dbraw/zinc/83/46/84/166834684.db2.gz SIFUTRVQHHQJLD-UHFFFAOYSA-N 0 1 201.310 2.218 10 0 BEAEMN Cc1ccnc(N2CCC[C@H](C)C2)c1N ZINC000036245158 132341233 /nfs/dbraw/zinc/34/12/33/132341233.db2.gz WYWFLVFSQCOQBV-VIFPVBQESA-N 0 1 205.305 2.209 10 0 BEAEMN Cc1nc(N2C[C@H](C)C[C@@H](C)C2)ccc1N ZINC000036250937 132341627 /nfs/dbraw/zinc/34/16/27/132341627.db2.gz KKUKOVFGWFRHJK-NXEZZACHSA-N 0 1 219.332 2.455 10 0 BEAEMN OCC[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000227569827 134383520 /nfs/dbraw/zinc/38/35/20/134383520.db2.gz WFDFHJHNHAZEJF-NSHDSACASA-N 0 1 246.310 2.032 10 0 BEAEMN CC(C)(C)OCCN1CCO[C@H]2CCCC[C@H]21 ZINC000250303652 135051299 /nfs/dbraw/zinc/05/12/99/135051299.db2.gz ZELAOBODSVZMGS-OLZOCXBDSA-N 0 1 241.375 2.445 10 0 BEAEMN CC[C@H](NC1COC1)c1ccc(C)cc1 ZINC000087194688 135111328 /nfs/dbraw/zinc/11/13/28/135111328.db2.gz TWCAYWPKQXVEKZ-ZDUSSCGKSA-N 0 1 205.301 2.435 10 0 BEAEMN Cc1cscc1CNCc1cnn(C)c1C ZINC000087309672 135122901 /nfs/dbraw/zinc/12/29/01/135122901.db2.gz YUEAGAWKNYISCE-UHFFFAOYSA-N 0 1 235.356 2.388 10 0 BEAEMN CCC[N@@H+](CCc1cccc(C)c1)CC(=O)[O-] ZINC000263417521 135353171 /nfs/dbraw/zinc/35/31/71/135353171.db2.gz NTCVYFNETHQJRK-UHFFFAOYSA-N 0 1 235.327 2.334 10 0 BEAEMN Cc1cnc([C@H](C)NCCN2CCCCC2)o1 ZINC000348360271 136072942 /nfs/dbraw/zinc/07/29/42/136072942.db2.gz PRIYQHRMPXMUQB-LBPRGKRZSA-N 0 1 237.347 2.120 10 0 BEAEMN Fc1ccc2[nH]c(=S)[nH]c(=S)c2c1 ZINC000584639646 398084060 /nfs/dbraw/zinc/08/40/60/398084060.db2.gz CPPGLMYCDZIDRR-UHFFFAOYSA-N 0 1 212.274 2.346 10 0 BEAEMN CCn1c(C)nnc1CNC1(C2CCC2)CC1 ZINC000649807656 398114419 /nfs/dbraw/zinc/11/44/19/398114419.db2.gz ADDSJYDEAQPEQZ-UHFFFAOYSA-N 0 1 234.347 2.029 10 0 BEAEMN CC(C)OCCOCCN[C@H](C)c1ccco1 ZINC000053556431 167248086 /nfs/dbraw/zinc/24/80/86/167248086.db2.gz GVSGTYJSIIFXIJ-GFCCVEGCSA-N 0 1 241.331 2.372 10 0 BEAEMN CC(C)Oc1ccccc1CNCc1cn[nH]c1 ZINC000038006232 167309763 /nfs/dbraw/zinc/30/97/63/167309763.db2.gz HRANBQKSHHDXEC-UHFFFAOYSA-N 0 1 245.326 2.487 10 0 BEAEMN CC(C)Sc1nc(C[C@H]2CCCO2)n[nH]1 ZINC000073739496 167338977 /nfs/dbraw/zinc/33/89/77/167338977.db2.gz FMQIKMJBMJOAJY-MRVPVSSYSA-N 0 1 227.333 2.027 10 0 BEAEMN CC(C)Sc1n[nH]c(C[C@H]2CCCO2)n1 ZINC000073739496 167338979 /nfs/dbraw/zinc/33/89/79/167338979.db2.gz FMQIKMJBMJOAJY-MRVPVSSYSA-N 0 1 227.333 2.027 10 0 BEAEMN Cc1ccc(Cn2[nH]c3c(c2=O)CCC3)cc1 ZINC000104707371 410948581 /nfs/dbraw/zinc/94/85/81/410948581.db2.gz WKDFXQZRJPABFI-GFCCVEGCSA-N 0 1 228.295 2.493 10 0 BEAEMN Cc1ccc(N2N=C3CCC[C@@H]3C2=O)cc1 ZINC000104707298 410946947 /nfs/dbraw/zinc/94/69/47/410946947.db2.gz GRFOSCCWRNVYLE-NSHDSACASA-N 0 1 214.268 2.498 10 0 BEAEMN Cc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1 ZINC000104707298 410946951 /nfs/dbraw/zinc/94/69/51/410946951.db2.gz GRFOSCCWRNVYLE-NSHDSACASA-N 0 1 214.268 2.498 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000044621580 411138643 /nfs/dbraw/zinc/13/86/43/411138643.db2.gz SBNDXVUDCFWPBM-RSPDNQDQSA-N 0 1 233.311 2.495 10 0 BEAEMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000652440737 411243004 /nfs/dbraw/zinc/24/30/04/411243004.db2.gz YKLMFOIPZZSBTM-AOOOYVTPSA-N 0 1 234.299 2.153 10 0 BEAEMN C[N@@H+](C[C@@H]1Cc2ccccc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801512 411292414 /nfs/dbraw/zinc/29/24/14/411292414.db2.gz FZAYSJDLCNJUQI-RWMBFGLXSA-N 0 1 245.322 2.121 10 0 BEAEMN C[N@@H+](C[C@H]1Cc2ccccc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801513 411292424 /nfs/dbraw/zinc/29/24/24/411292424.db2.gz FZAYSJDLCNJUQI-UPJWGTAASA-N 0 1 245.322 2.121 10 0 BEAEMN CC1CCC(CNC(=O)c2cnccc2N)CC1 ZINC000127731916 168155314 /nfs/dbraw/zinc/15/53/14/168155314.db2.gz JBDBSFGKHUFZQN-UHFFFAOYSA-N 0 1 247.342 2.220 10 0 BEAEMN CCC(C)(C)NC(=O)CN1CCCC(C)(C)C1 ZINC000112702789 168290015 /nfs/dbraw/zinc/29/00/15/168290015.db2.gz YAFAJQOWZIIDAX-UHFFFAOYSA-N 0 1 240.391 2.413 10 0 BEAEMN CC(C)N1CCO[C@H](c2ccccc2CCO)C1 ZINC000616648132 411411655 /nfs/dbraw/zinc/41/16/55/411411655.db2.gz RHQRJBDSUZOERL-HNNXBMFYSA-N 0 1 249.354 2.003 10 0 BEAEMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000305993956 411430117 /nfs/dbraw/zinc/43/01/17/411430117.db2.gz TZVCCMCPPFOTGN-WDEREUQCSA-N 0 1 248.326 2.400 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000657421934 411503081 /nfs/dbraw/zinc/50/30/81/411503081.db2.gz SBNPBENXTAYPBS-XCBNKYQSSA-N 0 1 245.244 2.371 10 0 BEAEMN CCN1CCc2nc3ccccc3nc2CC1 ZINC000039102702 170024943 /nfs/dbraw/zinc/02/49/43/170024943.db2.gz DUGMAMPPGTVZQK-UHFFFAOYSA-N 0 1 227.311 2.050 10 0 BEAEMN CCNC(=O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000035138675 170064124 /nfs/dbraw/zinc/06/41/24/170064124.db2.gz LAAVRPCSNWWNMD-VIFPVBQESA-N 0 1 240.734 2.127 10 0 BEAEMN CCNCc1csc(Br)n1 ZINC000095091532 170130045 /nfs/dbraw/zinc/13/00/45/170130045.db2.gz AFHPMRGYLGFCQZ-UHFFFAOYSA-N 0 1 221.123 2.015 10 0 BEAEMN CCN[C@@H](C)C(=O)c1cc(CC)ccc1OC ZINC000071545976 170138155 /nfs/dbraw/zinc/13/81/55/170138155.db2.gz XNILSUZXYLMOLY-JTQLQIEISA-N 0 1 235.327 2.438 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2ncccc2C)o1 ZINC000051813812 170143334 /nfs/dbraw/zinc/14/33/34/170143334.db2.gz CEGRZEPHIAPVQZ-VIFPVBQESA-N 0 1 232.287 2.111 10 0 BEAEMN CCN[C@@H](c1cccc(F)c1)c1cnccn1 ZINC000037536046 170148857 /nfs/dbraw/zinc/14/88/57/170148857.db2.gz BJKWHTAVASWJBZ-ZDUSSCGKSA-N 0 1 231.274 2.315 10 0 BEAEMN CCN[C@@]1(c2nc(C)cs2)CCSC1 ZINC000041061032 170155703 /nfs/dbraw/zinc/15/57/03/170155703.db2.gz JAALOOZXHDXDIB-JTQLQIEISA-N 0 1 228.386 2.393 10 0 BEAEMN CCN[C@H](c1cnccn1)c1ccccc1C ZINC000037536052 170165180 /nfs/dbraw/zinc/16/51/80/170165180.db2.gz MGVVGJBRGCLVGX-AWEZNQCLSA-N 0 1 227.311 2.484 10 0 BEAEMN CCOC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000114564112 170220800 /nfs/dbraw/zinc/22/08/00/170220800.db2.gz HMWDNHPLNUBDLI-CQSZACIVSA-N 0 1 237.343 2.372 10 0 BEAEMN CCOC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000065006361 170243635 /nfs/dbraw/zinc/24/36/35/170243635.db2.gz JOHPEPVZQPOMCO-UHFFFAOYSA-N 0 1 219.244 2.440 10 0 BEAEMN CCOC(=O)Nc1cc2[nH]cnc2c(Cl)n1 ZINC000005575175 170244025 /nfs/dbraw/zinc/24/40/25/170244025.db2.gz DJHNEOBVNHVENY-UHFFFAOYSA-N 0 1 240.650 2.180 10 0 BEAEMN CC[C@@H](C)C[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000058014056 170700044 /nfs/dbraw/zinc/70/00/44/170700044.db2.gz YASCTCLJTNZLPQ-SECBINFHSA-N 0 1 236.315 2.449 10 0 BEAEMN CCc1nnc(CNC2(CC(C)C)CC2)n1C ZINC000662069471 411970033 /nfs/dbraw/zinc/97/00/33/411970033.db2.gz MGYMBDIKPKUMIA-UHFFFAOYSA-N 0 1 236.363 2.046 10 0 BEAEMN CC[C@@H](Nc1ncnc2[nH]cnc21)C(C)C ZINC000042591083 170918179 /nfs/dbraw/zinc/91/81/79/170918179.db2.gz DAZNNBDNQYLYLL-MRVPVSSYSA-N 0 1 219.292 2.199 10 0 BEAEMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccccc1N ZINC000036797846 171110573 /nfs/dbraw/zinc/11/05/73/171110573.db2.gz DFAUDVDZBJUTPV-WCQYABFASA-N 0 1 234.343 2.268 10 0 BEAEMN CC[C@@H]1CO[C@H](C)CN1Cc1ccccc1N ZINC000036797842 171113885 /nfs/dbraw/zinc/11/38/85/171113885.db2.gz DFAUDVDZBJUTPV-DGCLKSJQSA-N 0 1 234.343 2.268 10 0 BEAEMN CC[C@@](C)(N)c1noc(CC(C)(C)C)n1 ZINC000041052983 171172493 /nfs/dbraw/zinc/17/24/93/171172493.db2.gz NLICRPCCXVGBCC-LLVKDONJSA-N 0 1 211.309 2.242 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H]1c1nccs1 ZINC000365058100 171236954 /nfs/dbraw/zinc/23/69/54/171236954.db2.gz GTRMBWMZIPKNER-BDAKNGLRSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1nccs1 ZINC000365058100 171236956 /nfs/dbraw/zinc/23/69/56/171236956.db2.gz GTRMBWMZIPKNER-BDAKNGLRSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[C@H](C)C[NH2+][C@@H](C)c1c(C)nc(C)[n-]c1=O ZINC000054468887 171285863 /nfs/dbraw/zinc/28/58/63/171285863.db2.gz YJRVDILPSSBMRJ-IUCAKERBSA-N 0 1 237.347 2.083 10 0 BEAEMN CC[C@H](C)[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000037930854 171309417 /nfs/dbraw/zinc/30/94/17/171309417.db2.gz YFQMIMYHGJUVAI-QMMMGPOBSA-N 0 1 222.288 2.202 10 0 BEAEMN CCn1c(=O)c2cc(OC)ccc2[nH]c1=S ZINC000026184705 172133477 /nfs/dbraw/zinc/13/34/77/172133477.db2.gz CLDNJWCAACNLPZ-UHFFFAOYSA-N 0 1 236.296 2.088 10 0 BEAEMN CCn1c(C)nc(-c2ccccc2)c1N ZINC000104907563 172137842 /nfs/dbraw/zinc/13/78/42/172137842.db2.gz PVDXLACKRCKRCN-UHFFFAOYSA-N 0 1 201.273 2.461 10 0 BEAEMN CCn1c(C)nnc1CN1[C@H](C)CCC[C@@H]1C ZINC000108864117 172139075 /nfs/dbraw/zinc/13/90/75/172139075.db2.gz HFUDZAWWOWBGGT-PHIMTYICSA-N 0 1 236.363 2.369 10 0 BEAEMN CCn1c(C)nnc1CN1[C@H](C)CCC[C@H]1C ZINC000108864121 172139990 /nfs/dbraw/zinc/13/99/90/172139990.db2.gz HFUDZAWWOWBGGT-GHMZBOCLSA-N 0 1 236.363 2.369 10 0 BEAEMN CCn1cc(-c2csc([C@@H](C)N)n2)cn1 ZINC000044495433 172149648 /nfs/dbraw/zinc/14/96/48/172149648.db2.gz WMZWDSHQADNCEZ-SSDOTTSWSA-N 0 1 222.317 2.046 10 0 BEAEMN CCn1cc([C@H](N)c2cccs2)cn1 ZINC000043469018 172199518 /nfs/dbraw/zinc/19/95/18/172199518.db2.gz KFFPYWAMCMMZLQ-JTQLQIEISA-N 0 1 207.302 2.013 10 0 BEAEMN CCn1ccnc1N[C@@H](C)c1cccnc1 ZINC000050608452 172228265 /nfs/dbraw/zinc/22/82/65/172228265.db2.gz PYXSXEOKZJYIMQ-JTQLQIEISA-N 0 1 216.288 2.471 10 0 BEAEMN CCn1nc(C)c([C@@H](C)NCCF)c1C ZINC000336720707 172248463 /nfs/dbraw/zinc/24/84/63/172248463.db2.gz ZVXKHMWYIGIBBL-MRVPVSSYSA-N 0 1 213.300 2.140 10 0 BEAEMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000049626382 172845520 /nfs/dbraw/zinc/84/55/20/172845520.db2.gz NGMZQLKXMQZXCE-RMKNXTFCSA-N 0 1 231.295 2.379 10 0 BEAEMN C[N@H+]1CCC[C@H](CNc2cccc(C(=O)[O-])c2)C1 ZINC000054240611 173040610 /nfs/dbraw/zinc/04/06/10/173040610.db2.gz LIHXYCIRDPKQDK-LLVKDONJSA-N 0 1 248.326 2.139 10 0 BEAEMN CN1CCS[C@H](c2cccc(O)c2)C1 ZINC000039316105 173110804 /nfs/dbraw/zinc/11/08/04/173110804.db2.gz AXSFOLPPBXFRJF-NSHDSACASA-N 0 1 209.314 2.112 10 0 BEAEMN CN1CC[C@H](Nc2c(F)cccc2F)C1 ZINC000061984923 173155049 /nfs/dbraw/zinc/15/50/49/173155049.db2.gz ITXJERRNDBRPRI-QMMMGPOBSA-N 0 1 212.243 2.081 10 0 BEAEMN CNC(=O)CCCCCc1cccc2cncn21 ZINC000029405012 173236146 /nfs/dbraw/zinc/23/61/46/173236146.db2.gz ARNZODMJIMEWFV-UHFFFAOYSA-N 0 1 245.326 2.183 10 0 BEAEMN CNCc1csc(Cc2ccc(OC)cc2)n1 ZINC000042390282 173393891 /nfs/dbraw/zinc/39/38/91/173393891.db2.gz SWEDVKKWLNSVCC-UHFFFAOYSA-N 0 1 248.351 2.462 10 0 BEAEMN CNCc1csc(N2CCC(C)CC2)n1 ZINC000062214919 173393948 /nfs/dbraw/zinc/39/39/48/173393948.db2.gz VBPFWGXHVUMBFK-UHFFFAOYSA-N 0 1 225.361 2.099 10 0 BEAEMN CNCc1nc(N2CCCC2)ccc1Cl ZINC000051399093 173394693 /nfs/dbraw/zinc/39/46/93/173394693.db2.gz VISICFVIQHNQNM-UHFFFAOYSA-N 0 1 225.723 2.055 10 0 BEAEMN CNCc1nnc(-c2cccc(C)c2C)o1 ZINC000050615319 173397470 /nfs/dbraw/zinc/39/74/70/173397470.db2.gz DLTHFDKZRKYHKK-UHFFFAOYSA-N 0 1 217.272 2.073 10 0 BEAEMN CNCc1ncc(-c2cccc(OC)c2)o1 ZINC000077325985 173397776 /nfs/dbraw/zinc/39/77/76/173397776.db2.gz OZDQWFKRWLMCGG-UHFFFAOYSA-N 0 1 218.256 2.070 10 0 BEAEMN CNCc1nnc(-c2ccc3ncccc3c2)o1 ZINC000061439296 173398054 /nfs/dbraw/zinc/39/80/54/173398054.db2.gz VFSMMNBVHUPSME-UHFFFAOYSA-N 0 1 240.266 2.004 10 0 BEAEMN COCCNC1=N[C@]2(CS1)CCC[C@@H](C)C2 ZINC000053098586 174330264 /nfs/dbraw/zinc/33/02/64/174330264.db2.gz YRHJNJSCQNSKQZ-ZYHUDNBSSA-N 0 1 242.388 2.274 10 0 BEAEMN COCCNCc1nc2ccccc2s1 ZINC000037977617 174337478 /nfs/dbraw/zinc/33/74/78/174337478.db2.gz PGKAVILFQOFHRB-UHFFFAOYSA-N 0 1 222.313 2.032 10 0 BEAEMN COc1cc(OC)c2c(c1)OCC[C@@H]2NC1CC1 ZINC000036204631 175008419 /nfs/dbraw/zinc/00/84/19/175008419.db2.gz ICRXXAHMEJNXQF-NSHDSACASA-N 0 1 249.310 2.279 10 0 BEAEMN COc1ccc(-c2csc(CN)n2)cc1F ZINC000003710482 175037770 /nfs/dbraw/zinc/03/77/70/175037770.db2.gz IJWQOCMKWKIZKP-UHFFFAOYSA-N 0 1 238.287 2.417 10 0 BEAEMN COc1ccc(C(=O)[C@@H]2CCCCN2)c(OC)c1 ZINC000074368578 175065528 /nfs/dbraw/zinc/06/55/28/175065528.db2.gz KPCDJKQDIAWUCD-LBPRGKRZSA-N 0 1 249.310 2.029 10 0 BEAEMN COc1ccc(C(=O)[C@H]2CCCCN2)cc1F ZINC000082607482 175066136 /nfs/dbraw/zinc/06/61/36/175066136.db2.gz PSOURYTWIKQGBH-LLVKDONJSA-N 0 1 237.274 2.159 10 0 BEAEMN COc1ccc(Cl)c(N[C@H]2CCN(C)C2)c1 ZINC000061989672 175118812 /nfs/dbraw/zinc/11/88/12/175118812.db2.gz MFXNQILZKOWBLC-VIFPVBQESA-N 0 1 240.734 2.465 10 0 BEAEMN COc1ccc(F)cc1[C@@H](N)c1cccnc1 ZINC000034957094 175132706 /nfs/dbraw/zinc/13/27/06/175132706.db2.gz KPTTVYXBZHLADU-ZDUSSCGKSA-N 0 1 232.258 2.277 10 0 BEAEMN COc1ccc(OC)c([C@H](N)c2ccoc2)c1 ZINC000035379800 175168723 /nfs/dbraw/zinc/16/87/23/175168723.db2.gz GPUMTTFQJQWPEB-CYBMUJFWSA-N 0 1 233.267 2.345 10 0 BEAEMN COc1ccc([C@@H]2NCCS2)cc1C ZINC000033885551 175185348 /nfs/dbraw/zinc/18/53/48/175185348.db2.gz ICIIFALJCTZJPJ-LLVKDONJSA-N 0 1 209.314 2.339 10 0 BEAEMN COc1ccc([C@H](C(=O)[O-])[N@@H+](C)CC2CC2)cc1 ZINC000077427160 175187270 /nfs/dbraw/zinc/18/72/70/175187270.db2.gz SKYGQMKZXBJAOD-CYBMUJFWSA-N 0 1 249.310 2.163 10 0 BEAEMN COc1cccc(Cc2nnc([C@@H](C)N)s2)c1 ZINC000088810782 175273146 /nfs/dbraw/zinc/27/31/46/175273146.db2.gz PFIPJRPXCHKNDZ-MRVPVSSYSA-N 0 1 249.339 2.157 10 0 BEAEMN COc1ccccc1-c1cc(O)cc(=O)o1 ZINC000034452856 175309479 /nfs/dbraw/zinc/30/94/79/175309479.db2.gz OWBBSGYRWKYJQP-UHFFFAOYSA-N 0 1 218.208 2.021 10 0 BEAEMN COc1ccccc1N1N=C2CCC[C@H]2C1=O ZINC000103784973 175336296 /nfs/dbraw/zinc/33/62/96/175336296.db2.gz WXAAWOASEJEPSQ-SECBINFHSA-N 0 1 230.267 2.198 10 0 BEAEMN COc1ccccc1-n1[nH]c2c(c1=O)CCC2 ZINC000103784973 175336298 /nfs/dbraw/zinc/33/62/98/175336298.db2.gz WXAAWOASEJEPSQ-SECBINFHSA-N 0 1 230.267 2.198 10 0 BEAEMN COc1cnc(-c2ccccc2)cc1N ZINC000039117503 175380734 /nfs/dbraw/zinc/38/07/34/175380734.db2.gz OGWAFOUOJWNZBS-UHFFFAOYSA-N 0 1 200.241 2.339 10 0 BEAEMN COc1nc(Cl)c(CNC2CC2)s1 ZINC000045206327 175391792 /nfs/dbraw/zinc/39/17/92/175391792.db2.gz DAPWZLGZRCAFEK-UHFFFAOYSA-N 0 1 218.709 2.057 10 0 BEAEMN C[C@@H](N[C@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966271 175911399 /nfs/dbraw/zinc/91/13/99/175911399.db2.gz PIVLPBVKEYVKQP-MFKMUULPSA-N 0 1 242.326 2.282 10 0 BEAEMN C[C@@H](O)c1ccccc1NCc1cnc[nH]1 ZINC000054765233 176000339 /nfs/dbraw/zinc/00/03/39/176000339.db2.gz PJUMSFHNWWXCPD-SECBINFHSA-N 0 1 217.272 2.075 10 0 BEAEMN C[C@@H](c1ccc(N)cc1)N1CCOC[C@H]1C ZINC000040908828 176015390 /nfs/dbraw/zinc/01/53/90/176015390.db2.gz JBTNZBHQAFJPSB-MNOVXSKESA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H](c1ccccn1)N(C)[C@H]1CCCCN1 ZINC000242463736 176026801 /nfs/dbraw/zinc/02/68/01/176026801.db2.gz DILMUIWNBOBMBE-AAEUAGOBSA-N 0 1 219.332 2.174 10 0 BEAEMN C[C@@H]1CCCC[C@H]1[N@@H+](C)C/C=C/C(=O)[O-] ZINC000051859866 176085620 /nfs/dbraw/zinc/08/56/20/176085620.db2.gz BQXTUMXWZPYRAK-GBUKMUNPSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@@H]1CCCC[C@H]1OC(=O)C1(N)CCCC1 ZINC000048633464 176089473 /nfs/dbraw/zinc/08/94/73/176089473.db2.gz WREUVQMIXRTCTA-GHMZBOCLSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CCC[N@@H+](CC(C)(C)C(=O)[O-])[C@@H]1C ZINC000051288567 176097168 /nfs/dbraw/zinc/09/71/68/176097168.db2.gz SMQAVAQBLDCVMZ-NXEZZACHSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134289336 176149119 /nfs/dbraw/zinc/14/91/19/176149119.db2.gz XGEHTEGCPXEUJA-CKYFFXLPSA-N 0 1 247.342 2.134 10 0 BEAEMN C[C@@H]1CCC[C@](CO)(NCc2cscn2)C1 ZINC000053117432 176152528 /nfs/dbraw/zinc/15/25/28/176152528.db2.gz CICZHGLUYNPLFD-PWSUYJOCSA-N 0 1 240.372 2.174 10 0 BEAEMN C[C@@H]1CC[C@H](NC(=O)CN(C)C)c2ccccc21 ZINC000124828978 176231291 /nfs/dbraw/zinc/23/12/91/176231291.db2.gz DJHRVXPZNRMBMQ-RISCZKNCSA-N 0 1 246.354 2.303 10 0 BEAEMN C[C@H](N[C@H]1CCCC[C@H]1O)c1cscn1 ZINC000252788101 176920443 /nfs/dbraw/zinc/92/04/43/176920443.db2.gz JQXBHYOYZBRUHQ-ATZCPNFKSA-N 0 1 226.345 2.097 10 0 BEAEMN C[C@H](c1ccncc1)n1c(N)nc2ccccc21 ZINC000035693997 177051841 /nfs/dbraw/zinc/05/18/41/177051841.db2.gz USDGDVHTRBAOME-SNVBAGLBSA-N 0 1 238.294 2.453 10 0 BEAEMN C[C@H]1CC(C)(C)C[C@@](N)(c2ncon2)C1 ZINC000036762104 177063687 /nfs/dbraw/zinc/06/36/87/177063687.db2.gz VSWUSITZJMVUPS-GZMMTYOYSA-N 0 1 209.293 2.070 10 0 BEAEMN C[C@H]1CCCN1CC(=O)Cc1ccc(F)cc1 ZINC000037911585 177108932 /nfs/dbraw/zinc/10/89/32/177108932.db2.gz RQZLJRHSSWORCA-NSHDSACASA-N 0 1 235.302 2.422 10 0 BEAEMN C[C@@H]1CCC[C@H](C)[N@@H+]1CC(C)(C)C(=O)[O-] ZINC000011884083 177116081 /nfs/dbraw/zinc/11/60/81/177116081.db2.gz XDDGZIBELHPAAX-AOOOYVTPSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H]1CCC[C@@H]([N@@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859733 177120871 /nfs/dbraw/zinc/12/08/71/177120871.db2.gz JYMDVABOMXLBFM-NAJRYUOPSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@H]1CCC[C@@](N)(C(=O)OC2CCCC2)C1 ZINC000041036823 177127963 /nfs/dbraw/zinc/12/79/63/177127963.db2.gz MAGCLUOVIYWTAD-GWCFXTLKSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@H]1CN(Cc2cccnc2)CCS1 ZINC000171690862 177266656 /nfs/dbraw/zinc/26/66/56/177266656.db2.gz MIOQXEIDYVQNCU-JTQLQIEISA-N 0 1 208.330 2.019 10 0 BEAEMN C[C@@H](NC1=NC[C@H](C)S1)c1ccco1 ZINC000035739657 177281552 /nfs/dbraw/zinc/28/15/52/177281552.db2.gz YCWMCJFUFYANFM-JGVFFNPUSA-N 0 1 210.302 2.422 10 0 BEAEMN C[C@H]1C[C@@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000052293371 177349361 /nfs/dbraw/zinc/34/93/61/177349361.db2.gz RIXJJWBAZDFADU-RCOVLWMOSA-N 0 1 225.675 2.184 10 0 BEAEMN C[C@H]1C[C@@H]1NCc1ccn(-c2ccccc2)n1 ZINC000061641159 177349654 /nfs/dbraw/zinc/34/96/54/177349654.db2.gz SMFBZHDZLMMMDZ-FZMZJTMJSA-N 0 1 227.311 2.370 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000306853595 487657298 /nfs/dbraw/zinc/65/72/98/487657298.db2.gz UCQJCGMRUHELRL-DCAQKATOSA-N 0 1 213.321 2.074 10 0 BEAEMN Cc1[nH]ncc1CNC(=O)Nc1ccccc1 ZINC000037991330 262788632 /nfs/dbraw/zinc/78/86/32/262788632.db2.gz BFKMVNNHKKNMCS-UHFFFAOYSA-N 0 1 230.271 2.040 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000307233930 487776771 /nfs/dbraw/zinc/77/67/71/487776771.db2.gz QVRMSSGVDFVWTB-GMTAPVOTSA-N 0 1 213.321 2.074 10 0 BEAEMN C[C@@H]([N@@H+](C)Cc1ncccc1C(=O)[O-])C1(C)CC1 ZINC000385254703 487777266 /nfs/dbraw/zinc/77/72/66/487777266.db2.gz PMKHKBPXUWNRQX-SNVBAGLBSA-N 0 1 248.326 2.400 10 0 BEAEMN C[C@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C[C@H]1C ZINC000385406221 487784965 /nfs/dbraw/zinc/78/49/65/487784965.db2.gz PXGAMZRNNIWTMH-WDEREUQCSA-N 0 1 248.326 2.258 10 0 BEAEMN CC[C@@H]1CCCCN1Cc1nnc(C)n1CC ZINC000195007383 529274385 /nfs/dbraw/zinc/27/43/85/529274385.db2.gz AMYKAYPCWMLMAX-GFCCVEGCSA-N 0 1 236.363 2.371 10 0 BEAEMN CCC[C@@H](C)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304146146 487872877 /nfs/dbraw/zinc/87/28/77/487872877.db2.gz AFCCTKMMJKKRKO-SNVBAGLBSA-N 0 1 236.315 2.400 10 0 BEAEMN CC(C)[C@H](C)NC(=O)c1ccc(F)cc1O ZINC000128958581 323008018 /nfs/dbraw/zinc/00/80/18/323008018.db2.gz GBVXLJBDKYIFBY-QMMMGPOBSA-N 0 1 225.263 2.306 10 0 BEAEMN c1nc2ccc(CNc3nncs3)cc2[nH]1 ZINC000309333645 323343947 /nfs/dbraw/zinc/34/39/47/323343947.db2.gz ILXCPJHOKHNIHB-UHFFFAOYSA-N 0 1 231.284 2.027 10 0 BEAEMN Cc1ccc([C@@H](C)NCc2cnnn2C)cc1F ZINC000123021678 324077514 /nfs/dbraw/zinc/07/75/14/324077514.db2.gz MXQIMHORCLDKGS-SNVBAGLBSA-N 0 1 248.305 2.113 10 0 BEAEMN CC(C)[C@@H](C)NC(=O)c1ccc(F)cc1O ZINC000128958340 324900322 /nfs/dbraw/zinc/90/03/22/324900322.db2.gz GBVXLJBDKYIFBY-MRVPVSSYSA-N 0 1 225.263 2.306 10 0 BEAEMN CCCCN(CC)Cc1c(C)nn(C)c1OC ZINC000158978112 326347220 /nfs/dbraw/zinc/34/72/20/326347220.db2.gz MAUBRDTVUOPDRD-UHFFFAOYSA-N 0 1 239.363 2.359 10 0 BEAEMN CC[C@H](C)[N@@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000304175010 487480252 /nfs/dbraw/zinc/48/02/52/487480252.db2.gz MYDWIZIJYGIPLT-JTQLQIEISA-N 0 1 236.315 2.400 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000394780112 488154996 /nfs/dbraw/zinc/15/49/96/488154996.db2.gz GAVTVIMRFWTDCF-UMSGYPCISA-N 0 1 239.359 2.465 10 0 BEAEMN Cc1nc([C@H](C)N[C@H]2CCC[C@@H](O)C2)cs1 ZINC000217676067 490480221 /nfs/dbraw/zinc/48/02/21/490480221.db2.gz MBNVBLHJGAKLOK-INTQDDNPSA-N 0 1 240.372 2.406 10 0 BEAEMN CCCCN(C)C(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000220572038 490613246 /nfs/dbraw/zinc/61/32/46/490613246.db2.gz RRCWJNMPBZDIAW-NSHDSACASA-N 0 1 249.358 2.082 10 0 BEAEMN CCCC[C@H](O)c1nc(CNC)cs1 ZINC000757134920 582513079 /nfs/dbraw/zinc/51/30/79/582513079.db2.gz ZHUGUBPRKUHZGG-VIFPVBQESA-N 0 1 214.334 2.086 10 0 BEAEMN C1OCC12CCOC1(CCCCCCC1)N2 ZINC000757147860 582531893 /nfs/dbraw/zinc/53/18/93/582531893.db2.gz MOSMABMUJUWCSE-UHFFFAOYSA-N 0 1 225.332 2.206 10 0 BEAEMN CC[C@@H]1CCC[C@@]2(CC1)NC1(COC1)CCO2 ZINC000757153866 582537957 /nfs/dbraw/zinc/53/79/57/582537957.db2.gz ZPZSBZKSFDYYRE-TZMCWYRMSA-N 0 1 239.359 2.452 10 0 BEAEMN CC(C)(C)OC(=O)[C@H]1CNCc2ccccc21 ZINC000087611791 518856921 /nfs/dbraw/zinc/85/69/21/518856921.db2.gz KYSSUBYNEALTEJ-LBPRGKRZSA-N 0 1 233.311 2.215 10 0 BEAEMN CCCC[N@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1C ZINC000252475016 520597130 /nfs/dbraw/zinc/59/71/30/520597130.db2.gz QPCJRHIFMVADPO-GHMZBOCLSA-N 0 1 213.321 2.362 10 0 BEAEMN Cc1cccc(CN2CC[C@@H]3C[C@H](C)O[C@@H]3C2)n1 ZINC000503718563 534712550 /nfs/dbraw/zinc/71/25/50/534712550.db2.gz GDUVXQZJDDWPBZ-GZBFAFLISA-N 0 1 246.354 2.389 10 0 BEAEMN CC[C@@H](C)N1CCN(c2ccc(C=O)cc2)CC1 ZINC000002458122 535566600 /nfs/dbraw/zinc/56/66/00/535566600.db2.gz RKPDSEUYOKGBBE-CYBMUJFWSA-N 0 1 246.354 2.420 10 0 BEAEMN Nc1ccc(Br)cc1[C@H](N)CF ZINC000757133089 582509384 /nfs/dbraw/zinc/50/93/84/582509384.db2.gz GKYAGOGXXNQCJL-MRVPVSSYSA-N 0 1 233.084 2.001 10 0 BEAEMN CCc1ccc([C@@H]2C[N@@H+](CC)C[C@H]2C(=O)[O-])cc1 ZINC000757187506 582555373 /nfs/dbraw/zinc/55/53/73/582555373.db2.gz GRUGFSGWMKGAOU-UONOGXRCSA-N 0 1 247.338 2.369 10 0 BEAEMN CCc1ccccc1[C@H]1C[N@@H+](CC)C[C@H]1C(=O)[O-] ZINC000757189856 582555936 /nfs/dbraw/zinc/55/59/36/582555936.db2.gz KXTOALSYWLWJQZ-ZIAGYGMSSA-N 0 1 247.338 2.369 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](C)C[C@H]2C(F)(F)F ZINC000235713885 582604897 /nfs/dbraw/zinc/60/48/97/582604897.db2.gz OOQNSERUCVUAMU-FSPLSTOPSA-N 0 1 219.210 2.499 10 0 BEAEMN Fc1ccc([C@H]2CCNc3nccn32)cc1 ZINC000236239646 582642277 /nfs/dbraw/zinc/64/22/77/582642277.db2.gz CMWLZCGTWUCOET-LLVKDONJSA-N 0 1 217.247 2.427 10 0 BEAEMN CC[C@@H]1CCC[C@@H](NC(=O)c2cnccc2N)C1 ZINC000128045203 582825113 /nfs/dbraw/zinc/82/51/13/582825113.db2.gz GXLXTGZXJUZONS-GHMZBOCLSA-N 0 1 247.342 2.362 10 0 BEAEMN Cc1cnn(C)c1[C@H]1NCCc2sccc21 ZINC000709190152 582993328 /nfs/dbraw/zinc/99/33/28/582993328.db2.gz MXSIKCZLKANDIV-NSHDSACASA-N 0 1 233.340 2.025 10 0 BEAEMN CCOC(=O)C=C(O)[C@]12C[C@H]1CCCC2 ZINC000709245278 582994426 /nfs/dbraw/zinc/99/44/26/582994426.db2.gz SJIWRWZTCLBITM-BXKDBHETSA-N 0 1 210.273 2.089 10 0 BEAEMN C[C@H]1C[C@@]2(CC[N@@H+]1C)NCCc1sccc12 ZINC000397268322 583099697 /nfs/dbraw/zinc/09/96/97/583099697.db2.gz CFHKSBXMPGRABL-GXFFZTMASA-N 0 1 236.384 2.203 10 0 BEAEMN C[C@H](C(=O)C(F)F)C(=O)[C@@H]1CC1(C)C ZINC000397584197 583102533 /nfs/dbraw/zinc/10/25/33/583102533.db2.gz IKUFVYIDDLLKJX-WDSKDSINSA-N 0 1 204.216 2.072 10 0 BEAEMN CCC(C(=O)C(F)F)=C(O)[C@H]1CC1(C)C ZINC000397717402 583107677 /nfs/dbraw/zinc/10/76/77/583107677.db2.gz VCUSUVQKZDKFLP-NKWVEPMBSA-N 0 1 218.243 2.462 10 0 BEAEMN CCC(C(=O)C(F)F)=C(O)[C@H]1CC1(C)C ZINC000397717404 583108087 /nfs/dbraw/zinc/10/80/87/583108087.db2.gz VCUSUVQKZDKFLP-RNFRBKRXSA-N 0 1 218.243 2.462 10 0 BEAEMN Cc1occc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000895196144 583622792 /nfs/dbraw/zinc/62/27/92/583622792.db2.gz SLWZCMHQKSXIAQ-LBPRGKRZSA-N 0 1 246.314 2.433 10 0 BEAEMN Cc1nccnc1[C@@H](C)NCCOCC(C)C ZINC000219117044 585125781 /nfs/dbraw/zinc/12/57/81/585125781.db2.gz KJRBTKWQJOATSA-GFCCVEGCSA-N 0 1 237.347 2.108 10 0 BEAEMN Cc1cc(CC(=O)C2(N)CC2)ccc1Cl ZINC000757161662 586432679 /nfs/dbraw/zinc/43/26/79/586432679.db2.gz XPYNWJSXCPUYSV-UHFFFAOYSA-N 0 1 223.703 2.251 10 0 BEAEMN Cc1cccc([C@H]2C[N@@H+](C)C[C@H]2C(=O)[O-])c1C ZINC000757192402 586436051 /nfs/dbraw/zinc/43/60/51/586436051.db2.gz OJPDHQQLFMAREL-CHWSQXEVSA-N 0 1 233.311 2.033 10 0 BEAEMN O=C1[C@H]2CCCC2=NN1c1cccnc1Cl ZINC000129808496 591410407 /nfs/dbraw/zinc/41/04/07/591410407.db2.gz UHUVEYLCLDVGCY-ZETCQYMHSA-N 0 1 235.674 2.238 10 0 BEAEMN O=c1c2c([nH]n1-c1cccnc1Cl)CCC2 ZINC000129808496 591410408 /nfs/dbraw/zinc/41/04/08/591410408.db2.gz UHUVEYLCLDVGCY-ZETCQYMHSA-N 0 1 235.674 2.238 10 0 BEAEMN C[C@@H](CCO)NCc1nc(C(C)(C)C)cs1 ZINC000132967797 591751124 /nfs/dbraw/zinc/75/11/24/591751124.db2.gz IFQDAVUKGGYCCO-VIFPVBQESA-N 0 1 242.388 2.301 10 0 BEAEMN CC[C@H]1CO[C@@H](C)CN1CCC(=O)C(C)(C)C ZINC000054026711 635327412 /nfs/dbraw/zinc/32/74/12/635327412.db2.gz LBKSAAKRHYOKPA-RYUDHWBXSA-N 0 1 241.375 2.491 10 0 BEAEMN C[C@@H]1CN(CCC(=O)C(C)(C)C)CC(C)(C)O1 ZINC000054026641 635329685 /nfs/dbraw/zinc/32/96/85/635329685.db2.gz VFYCTOXZKCFPEE-LLVKDONJSA-N 0 1 241.375 2.491 10 0 BEAEMN CCC[C@H](C)C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000051322572 632505061 /nfs/dbraw/zinc/50/50/61/632505061.db2.gz BQLCNBLBKGCQGO-JTQLQIEISA-N 0 1 213.321 2.362 10 0 BEAEMN COc1cccc([C@H](CO)NC/C=C/Cl)c1 ZINC000309916585 634043918 /nfs/dbraw/zinc/04/39/18/634043918.db2.gz PRCVRDPEEZDXFC-UXONFWTHSA-N 0 1 241.718 2.071 10 0 BEAEMN CCC[N@@H+](CCSC(F)(F)F)CC(=O)[O-] ZINC000123583519 634247565 /nfs/dbraw/zinc/24/75/65/634247565.db2.gz TXANCAIEDBQRTG-UHFFFAOYSA-N 0 1 245.266 2.036 10 0 BEAEMN C[C@@H]1CCCN(Cc2nc(CO)cs2)[C@@H]1C ZINC000669379638 636576294 /nfs/dbraw/zinc/57/62/94/636576294.db2.gz GOXCLCNSJCBBIA-NXEZZACHSA-N 0 1 240.372 2.256 10 0 BEAEMN Cc1ccccc1[C@H](O)CN1CCOC(C)(C)C1 ZINC000044159923 639895231 /nfs/dbraw/zinc/89/52/31/639895231.db2.gz FDQYKCSGEGPGQR-CQSZACIVSA-N 0 1 249.354 2.139 10 0 BEAEMN Cn1nc(C(C)(C)C)nc1[C@H](N)C(C)(C)C ZINC000054698803 640711101 /nfs/dbraw/zinc/71/11/01/640711101.db2.gz CCYHCNCTVSUURT-QMMMGPOBSA-N 0 1 224.352 2.159 10 0 BEAEMN CCOCCC(O)=CC(=O)C1CCCC1 ZINC000061442252 640965840 /nfs/dbraw/zinc/96/58/40/640965840.db2.gz SRIXLAUFORAAHK-UHFFFAOYSA-N 0 1 212.289 2.132 10 0 BEAEMN C[C@H]1OCCC[C@H]1C(=O)NOCc1ccccc1 ZINC000191241979 641908439 /nfs/dbraw/zinc/90/84/39/641908439.db2.gz PYPYDTRVVCPEIL-DGCLKSJQSA-N 0 1 249.310 2.050 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1ncc(Cl)n1C ZINC000233411284 642670552 /nfs/dbraw/zinc/67/05/52/642670552.db2.gz SERPZODMCRUMHD-DTWKUNHWSA-N 0 1 227.739 2.352 10 0 BEAEMN O[C@@H](CN1CCCC1)c1cc(F)ccc1F ZINC000049820715 643464989 /nfs/dbraw/zinc/46/49/89/643464989.db2.gz HBKZAGYSUFQRQH-LBPRGKRZSA-N 0 1 227.254 2.094 10 0 BEAEMN CC[C@H](C)c1noc(-c2ccc(CN)o2)n1 ZINC000087043510 644474676 /nfs/dbraw/zinc/47/46/76/644474676.db2.gz IMVHPVGOIPMJRW-ZETCQYMHSA-N 0 1 221.260 2.302 10 0 BEAEMN C(=C\c1ccco1)\CN1CCCn2cncc2C1 ZINC000096837045 644841013 /nfs/dbraw/zinc/84/10/13/644841013.db2.gz IOEWUZJKPQGIGQ-RJRFIUFISA-N 0 1 243.310 2.395 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1nnc(CC)s1 ZINC000702715184 712060091 /nfs/dbraw/zinc/06/00/91/712060091.db2.gz ZOFRUNVWHITGFQ-RKDXNWHRSA-N 0 1 225.361 2.379 10 0 BEAEMN CSC1CC(NCc2c(Cl)cnn2C)C1 ZINC000708264592 712184775 /nfs/dbraw/zinc/18/47/75/712184775.db2.gz LCBKWJBONZYHFF-UHFFFAOYSA-N 0 1 245.779 2.057 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCCC2(C)C)n1 ZINC000700466383 711994037 /nfs/dbraw/zinc/99/40/37/711994037.db2.gz UHVBMDZEHHFCCA-SNVBAGLBSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cccc([C@@H](O)CN2CC[C@@H](F)C2)c1 ZINC000701713949 712028039 /nfs/dbraw/zinc/02/80/39/712028039.db2.gz RKVBDEBMYBPTGT-OLZOCXBDSA-N 0 1 223.291 2.072 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1scnc1Cl ZINC000713504671 712464119 /nfs/dbraw/zinc/46/41/19/712464119.db2.gz RPFSDKSJJMLXPL-RNFRBKRXSA-N 0 1 232.736 2.064 10 0 BEAEMN CCC[C@@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692119978 968912281 /nfs/dbraw/zinc/91/22/81/968912281.db2.gz NIJNYGLJRXDBQA-NSHDSACASA-N 0 1 245.363 2.234 10 0 BEAEMN CCC[C@H](C[N@@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692119977 968912292 /nfs/dbraw/zinc/91/22/92/968912292.db2.gz NIJNYGLJRXDBQA-LLVKDONJSA-N 0 1 245.363 2.234 10 0 BEAEMN CC(C)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000694537625 968944572 /nfs/dbraw/zinc/94/45/72/968944572.db2.gz GAGMFTXMUZRSNU-NWDGAFQWSA-N 0 1 225.332 2.218 10 0 BEAEMN CCCOC(=O)[C@@H](C)N(C)CC1CCC1 ZINC000119731338 1166256510 /nfs/dbraw/zinc/25/65/10/1166256510.db2.gz GBKGWJMLFYSFHL-SNVBAGLBSA-N 0 1 213.321 2.060 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1CC(C)(C)C1(C)C ZINC000690229191 976280906 /nfs/dbraw/zinc/28/09/06/976280906.db2.gz VLVMTLWNCJOTEM-RMKNXTFCSA-N 0 1 211.305 2.138 10 0 BEAEMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c(F)c1 ZINC000686308001 954609040 /nfs/dbraw/zinc/60/90/40/954609040.db2.gz ARSAEQWZKOCDFL-SNVBAGLBSA-N 0 1 239.290 2.287 10 0 BEAEMN Cc1ccoc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000687726625 954619689 /nfs/dbraw/zinc/61/96/89/954619689.db2.gz PPZWTWBAGZWXBT-VIFPVBQESA-N 0 1 223.272 2.026 10 0 BEAEMN Cc1ccoc1C[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000687726625 954619697 /nfs/dbraw/zinc/61/96/97/954619697.db2.gz PPZWTWBAGZWXBT-VIFPVBQESA-N 0 1 223.272 2.026 10 0 BEAEMN CC(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000693453601 954754627 /nfs/dbraw/zinc/75/46/27/954754627.db2.gz ZEBMYYWSSAECEF-SDDRHHMPSA-N 0 1 227.348 2.464 10 0 BEAEMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1cscn1 ZINC000697901549 954835278 /nfs/dbraw/zinc/83/52/78/954835278.db2.gz TWBSEZRNRZSWRZ-ZETCQYMHSA-N 0 1 249.295 2.409 10 0 BEAEMN CC[N@@H+](CCCC(C)C)[C@@H](C)C(=O)[O-] ZINC000707970244 969031433 /nfs/dbraw/zinc/03/14/33/969031433.db2.gz ASDBMNKXFQVNRJ-JTQLQIEISA-N 0 1 201.310 2.218 10 0 BEAEMN C[C@H]1[C@@H](C)[N@H+](CCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000399815007 973241902 /nfs/dbraw/zinc/24/19/02/973241902.db2.gz YDPURPAEGSDAOW-GMTAPVOTSA-N 0 1 227.348 2.464 10 0 BEAEMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000701733330 977036501 /nfs/dbraw/zinc/03/65/01/977036501.db2.gz KWGUOZREFCHHJS-NEPJUHHUSA-N 0 1 243.347 2.129 10 0 BEAEMN Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC000701821297 977042962 /nfs/dbraw/zinc/04/29/62/977042962.db2.gz GDADOSNLMXSLLK-TXEJJXNPSA-N 0 1 231.295 2.145 10 0 BEAEMN Cc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1C(=O)[O-] ZINC000701825162 977045057 /nfs/dbraw/zinc/04/50/57/977045057.db2.gz CZSIFIWTXGYVSY-NSHDSACASA-N 0 1 237.274 2.237 10 0 BEAEMN Cc1ccc(C[N@H+]2CC[C@H](F)C2)cc1C(=O)[O-] ZINC000701825162 977045065 /nfs/dbraw/zinc/04/50/65/977045065.db2.gz CZSIFIWTXGYVSY-NSHDSACASA-N 0 1 237.274 2.237 10 0 BEAEMN CCCCCC[N@H+]1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000702744379 977118367 /nfs/dbraw/zinc/11/83/67/977118367.db2.gz XPDPPMOUGXZSQG-DGCLKSJQSA-N 0 1 243.347 2.131 10 0 BEAEMN C[C@@H]1CCCCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000703667935 977176217 /nfs/dbraw/zinc/17/62/17/977176217.db2.gz HJHCRWQSXBMWET-SNVBAGLBSA-N 0 1 234.299 2.406 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N2CCC[C@H]2C2CC2)c1 ZINC000706492414 977344790 /nfs/dbraw/zinc/34/47/90/977344790.db2.gz BURDRJFQZJDOJU-NSHDSACASA-N 0 1 232.283 2.159 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N2CCC[C@@H]2C2CC2)c1 ZINC000706492390 977345172 /nfs/dbraw/zinc/34/51/72/977345172.db2.gz BURDRJFQZJDOJU-LLVKDONJSA-N 0 1 232.283 2.159 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000706732187 977359648 /nfs/dbraw/zinc/35/96/48/977359648.db2.gz KWLCLWPYAHCTMH-UWVGGRQHSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000706743097 977360339 /nfs/dbraw/zinc/36/03/39/977360339.db2.gz MEAVZWFULNJZIL-GHMZBOCLSA-N 0 1 249.310 2.104 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C ZINC000706745633 977360748 /nfs/dbraw/zinc/36/07/48/977360748.db2.gz XRPACLRSOQPPJJ-RKDXNWHRSA-N 0 1 237.274 2.364 10 0 BEAEMN C[C@H]1Cc2[nH+]cn(CC3(C(=O)[O-])CC3)c2C[C@@H]1C ZINC000709462649 977459080 /nfs/dbraw/zinc/45/90/80/977459080.db2.gz PQRPRCXSPFCAEN-UWVGGRQHSA-N 0 1 248.326 2.119 10 0 BEAEMN CCc1[nH+]c(C)cn1CC1(CC(=O)[O-])CC1 ZINC000715092229 977690744 /nfs/dbraw/zinc/69/07/44/977690744.db2.gz SPVWOJIEFGMOCL-UHFFFAOYSA-N 0 1 222.288 2.009 10 0 BEAEMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)CC1(C)CCC1 ZINC000720480044 978034631 /nfs/dbraw/zinc/03/46/31/978034631.db2.gz BCWTVCKTUXRKEW-UHFFFAOYSA-N 0 1 248.326 2.402 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1C ZINC000721583589 978119804 /nfs/dbraw/zinc/11/98/04/978119804.db2.gz GEKXDHUMMPEVFJ-NXEZZACHSA-N 0 1 234.299 2.010 10 0 BEAEMN CC[C@@H](C)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693328 978164491 /nfs/dbraw/zinc/16/44/91/978164491.db2.gz NOLQVVXGGUSFPH-DDHJBXDOSA-N 0 1 227.348 2.464 10 0 BEAEMN C[C@H]1CCCC[C@@H]1OCC(F)(F)CN ZINC000685956497 538903031 /nfs/dbraw/zinc/90/30/31/538903031.db2.gz VOGUYJIVHGPBRE-IUCAKERBSA-N 0 1 207.264 2.176 10 0 BEAEMN COCC[C@@H](C)C(=O)CNCc1ccccc1 ZINC000685960499 538907521 /nfs/dbraw/zinc/90/75/21/538907521.db2.gz NHQMVJWXCDCOIW-GFCCVEGCSA-N 0 1 235.327 2.018 10 0 BEAEMN CCN1CCC(=O)C12C[C@@H](C)C[C@H](C)C2 ZINC000685952637 538896711 /nfs/dbraw/zinc/89/67/11/538896711.db2.gz BHLANSZPUVNLQN-QWRGUYRKSA-N 0 1 209.333 2.476 10 0 BEAEMN CC[C@H](C)n1cc2c(n1)[C@@H](C)NC(=S)O2 ZINC000685965942 538911198 /nfs/dbraw/zinc/91/11/98/538911198.db2.gz ZWVALEULAZFPCY-NKWVEPMBSA-N 0 1 225.317 2.182 10 0 BEAEMN C[C@@H]1NC(=S)Oc2cn(C3CCCC3)nc21 ZINC000685965754 538912226 /nfs/dbraw/zinc/91/22/26/538912226.db2.gz RISSYTSOKMRUIF-ZETCQYMHSA-N 0 1 237.328 2.326 10 0 BEAEMN Cc1csc(C[C@@H](N)c2ccco2)n1 ZINC000036281325 343977340 /nfs/dbraw/zinc/97/73/40/343977340.db2.gz KRHJCLKQKVRQRH-MRVPVSSYSA-N 0 1 208.286 2.287 10 0 BEAEMN Cc1cc(COc2cccnc2)oc1CN ZINC000052646564 178050196 /nfs/dbraw/zinc/05/01/96/178050196.db2.gz JZCUZZMREODRDR-UHFFFAOYSA-N 0 1 218.256 2.021 10 0 BEAEMN Cc1cc(Cl)c2[nH+]cc(C(=O)[O-])c(N)c2c1 ZINC000047913075 178062292 /nfs/dbraw/zinc/06/22/92/178062292.db2.gz XMYCJMPLWBAFDN-UHFFFAOYSA-N 0 1 236.658 2.477 10 0 BEAEMN Cc1cc(F)cc2c3n[nH]c(N)c3cnc12 ZINC000072237078 178081284 /nfs/dbraw/zinc/08/12/84/178081284.db2.gz DCHFCUGTAHLJDM-UHFFFAOYSA-N 0 1 216.219 2.141 10 0 BEAEMN Cc1cc(F)ccc1NC(=O)c1cnccc1N ZINC000127069554 178089987 /nfs/dbraw/zinc/08/99/87/178089987.db2.gz XBGZMZUVRWYHPT-UHFFFAOYSA-N 0 1 245.257 2.364 10 0 BEAEMN CC1(C)CN[C@@H]1c1ncc(Cl)s1 ZINC000307672685 398191642 /nfs/dbraw/zinc/19/16/42/398191642.db2.gz YWJUVWMGFGYTCM-ZCFIWIBFSA-N 0 1 202.710 2.467 10 0 BEAEMN CCOC(=O)N1CCCCC[C@H]1c1cnc[nH]1 ZINC000616622120 398206816 /nfs/dbraw/zinc/20/68/16/398206816.db2.gz UMWLUJYDZNSVIN-NSHDSACASA-N 0 1 237.303 2.483 10 0 BEAEMN CN[C@H](C)c1csc(N2CCCC2)n1 ZINC000070844238 361795360 /nfs/dbraw/zinc/79/53/60/361795360.db2.gz VGFMQUUGIOTLLU-MRVPVSSYSA-N 0 1 211.334 2.024 10 0 BEAEMN Cc1cc2ccccc2c(NC[C@H](C)O)n1 ZINC000302026589 178297630 /nfs/dbraw/zinc/29/76/30/178297630.db2.gz GYIJVEXIAJZVME-JTQLQIEISA-N 0 1 216.284 2.336 10 0 BEAEMN Cc1ccc(-c2nc(C(C)(C)N)no2)cc1 ZINC000041052851 178333536 /nfs/dbraw/zinc/33/35/36/178333536.db2.gz IPDRQRAABOUEDJ-UHFFFAOYSA-N 0 1 217.272 2.239 10 0 BEAEMN Cc1oc(-c2ccc(C)cc2)nc1CN ZINC000021924367 178334843 /nfs/dbraw/zinc/33/48/43/178334843.db2.gz NTFPEQMQDBLFDO-UHFFFAOYSA-N 0 1 202.257 2.417 10 0 BEAEMN Cc1ccc(-c2nc([C@@H](C)N)no2)cc1F ZINC000041052279 178335896 /nfs/dbraw/zinc/33/58/96/178335896.db2.gz VVBKYWSMGUSVMM-SSDOTTSWSA-N 0 1 221.235 2.204 10 0 BEAEMN Cc1ccc(-c2nnc(CNC(C)C)o2)o1 ZINC000050615962 178341560 /nfs/dbraw/zinc/34/15/60/178341560.db2.gz PJWVADSLATZRKF-UHFFFAOYSA-N 0 1 221.260 2.136 10 0 BEAEMN CC[N@H+]1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616612677 349575947 /nfs/dbraw/zinc/57/59/47/349575947.db2.gz HHJHSEMCDNGJIU-SNVBAGLBSA-N 0 1 219.284 2.194 10 0 BEAEMN Cc1nccc(NCC[C@@H]2CCCO2)c1Cl ZINC000380728929 538992317 /nfs/dbraw/zinc/99/23/17/538992317.db2.gz PWVZZRSIHVSMAL-JTQLQIEISA-N 0 1 240.734 2.446 10 0 BEAEMN Cc1ccc([C@@H](C)NC(=O)CCc2cnc[nH]2)o1 ZINC000188942612 538980479 /nfs/dbraw/zinc/98/04/79/538980479.db2.gz AVASLCGMPKEFOP-SNVBAGLBSA-N 0 1 247.298 2.121 10 0 BEAEMN Cc1ccc([C@H](C)NC(=O)CCc2cnc[nH]2)o1 ZINC000188942634 538980689 /nfs/dbraw/zinc/98/06/89/538980689.db2.gz AVASLCGMPKEFOP-JTQLQIEISA-N 0 1 247.298 2.121 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1ccncc1Cl ZINC000134543571 342863844 /nfs/dbraw/zinc/86/38/44/342863844.db2.gz YCOPIIIXXIEAAE-KWQFWETISA-N 0 1 226.707 2.002 10 0 BEAEMN CCS[C@H]1CCC[C@H]1N1CCC(=O)CC1 ZINC000233827139 342887819 /nfs/dbraw/zinc/88/78/19/342887819.db2.gz UEDMDHHFDWIXRS-NEPJUHHUSA-N 0 1 227.373 2.326 10 0 BEAEMN COC(=O)C[C@@H](N)c1c(F)cccc1Cl ZINC000019784027 342957425 /nfs/dbraw/zinc/95/74/25/342957425.db2.gz VUTKSGYZZKIRDU-MRVPVSSYSA-N 0 1 231.654 2.042 10 0 BEAEMN CCC[C@]1(C)CNC[C@@H](C(F)(F)F)O1 ZINC000230704039 346915880 /nfs/dbraw/zinc/91/58/80/346915880.db2.gz WQTCGIHCVFJRSK-JGVFFNPUSA-N 0 1 211.227 2.096 10 0 BEAEMN CNc1c(N)cnc2c(C)cc(Cl)cc21 ZINC000584882737 343085714 /nfs/dbraw/zinc/08/57/14/343085714.db2.gz OJCBWHBWNXAILD-UHFFFAOYSA-N 0 1 221.691 2.242 10 0 BEAEMN COc1ccc(-c2nc(C(F)(F)F)n[nH]2)cc1 ZINC000072236790 343088868 /nfs/dbraw/zinc/08/88/68/343088868.db2.gz NWZCUURTBYDKPV-UHFFFAOYSA-N 0 1 243.188 2.499 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)CC1CC1 ZINC000051361443 343256028 /nfs/dbraw/zinc/25/60/28/343256028.db2.gz MOWIQJDGAKWLIV-UHFFFAOYSA-N 0 1 223.272 2.128 10 0 BEAEMN COc1cc(C(C)=O)cc(Br)c1O ZINC000034580653 343275368 /nfs/dbraw/zinc/27/53/68/343275368.db2.gz MHDBGUWHPJEHNN-UHFFFAOYSA-N 0 1 245.072 2.366 10 0 BEAEMN O=C(c1[nH]nc2ccccc21)N1C[C@@H]2CCC[C@H]21 ZINC000349350919 136342504 /nfs/dbraw/zinc/34/25/04/136342504.db2.gz PPASWMJMUHJBQZ-JOYOIKCWSA-N 0 1 241.294 2.187 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693650 343538940 /nfs/dbraw/zinc/53/89/40/343538940.db2.gz LCSRMTWZHAIFHQ-CKYFFXLPSA-N 0 1 213.321 2.074 10 0 BEAEMN c1cc([C@H]2NCCc3ccsc32)sn1 ZINC000712513986 537787770 /nfs/dbraw/zinc/78/77/70/537787770.db2.gz BKYOCXIMTZCRQZ-SECBINFHSA-N 0 1 222.338 2.440 10 0 BEAEMN O=C(OCc1cccc(Cl)c1)[C@@H]1CCCN1 ZINC000049829945 187270402 /nfs/dbraw/zinc/27/04/02/187270402.db2.gz BCNWKDINMYPHDZ-NSHDSACASA-N 0 1 239.702 2.135 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC000409423175 343814847 /nfs/dbraw/zinc/81/48/47/343814847.db2.gz LUDRXVPRPNOXEU-HSOILSAZSA-N 0 1 229.295 2.064 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409433137 343826663 /nfs/dbraw/zinc/82/66/63/343826663.db2.gz XOKWTEVRYDTKAW-IVZWLZJFSA-N 0 1 247.285 2.217 10 0 BEAEMN COC(=O)c1c(C2CC2)n[nH]c1C1CCC1 ZINC000409440995 343854564 /nfs/dbraw/zinc/85/45/64/343854564.db2.gz OZPLFVBRFFOJEG-UHFFFAOYSA-N 0 1 220.272 2.341 10 0 BEAEMN C[N@@H+]([C@@H]1CCSC1)C1CCC(C(=O)[O-])CC1 ZINC000409434398 343831457 /nfs/dbraw/zinc/83/14/57/343831457.db2.gz OZZXLKBKXQTDLF-VQXHTEKXSA-N 0 1 243.372 2.067 10 0 BEAEMN O=Cc1c(C2CCC2)[nH]nc1C1CCOCC1 ZINC000409438743 343845508 /nfs/dbraw/zinc/84/55/08/343845508.db2.gz FMENYKVXDQHVJF-UHFFFAOYSA-N 0 1 234.299 2.384 10 0 BEAEMN CCc1n[nH]c(-c2ccsc2)c1CCC(N)=O ZINC000409439083 343846357 /nfs/dbraw/zinc/84/63/57/343846357.db2.gz GSKCAEKRXYMEBZ-UHFFFAOYSA-N 0 1 249.339 2.119 10 0 BEAEMN COC(=O)c1c(C2CC2)n[nH]c1C(F)(F)F ZINC000409439524 343847538 /nfs/dbraw/zinc/84/75/38/343847538.db2.gz IUKUFEWYUQZASV-UHFFFAOYSA-N 0 1 234.177 2.093 10 0 BEAEMN OCCc1c(C2CC2)n[nH]c1C1CCC1 ZINC000409438281 343850344 /nfs/dbraw/zinc/85/03/44/343850344.db2.gz CDXLXKFQIIINQA-UHFFFAOYSA-N 0 1 206.289 2.089 10 0 BEAEMN O=C(Nc1cnoc1)c1ccc(Cl)cc1O ZINC000060393507 343920734 /nfs/dbraw/zinc/92/07/34/343920734.db2.gz OBLUPIPEADTSPJ-UHFFFAOYSA-N 0 1 238.630 2.286 10 0 BEAEMN Cc1ccnc(N)c1[C@@H]1CCCC(=O)C1 ZINC000070737999 343954806 /nfs/dbraw/zinc/95/48/06/343954806.db2.gz AIJFSHJIHKNBLU-SECBINFHSA-N 0 1 204.273 2.199 10 0 BEAEMN CN[C@@H](C)c1ccoc1Br ZINC000234420855 343965910 /nfs/dbraw/zinc/96/59/10/343965910.db2.gz WVNZNSDRLTXZMJ-YFKPBYRVSA-N 0 1 204.067 2.323 10 0 BEAEMN CC(=O)CCn1c(C)nc2c1CCCC2 ZINC000127351499 344236636 /nfs/dbraw/zinc/23/66/36/344236636.db2.gz XWNOLZVVNHOCON-UHFFFAOYSA-N 0 1 206.289 2.049 10 0 BEAEMN C[C@@H]1C[C@@H](C)N(CC(=O)c2ccco2)C1 ZINC000158063096 344363710 /nfs/dbraw/zinc/36/37/10/344363710.db2.gz VSHQLNQGZSCENQ-NXEZZACHSA-N 0 1 207.273 2.193 10 0 BEAEMN Cc1nnc(CN2CCC[C@@H]3CCCC[C@H]32)n1C ZINC000249774315 362388519 /nfs/dbraw/zinc/38/85/19/362388519.db2.gz VQQIBAYQQVUOPY-QWHCGFSZSA-N 0 1 248.374 2.278 10 0 BEAEMN OCc1ccc2nc(-c3cccnc3)[nH]c2c1 ZINC000084882428 344481737 /nfs/dbraw/zinc/48/17/37/344481737.db2.gz XJKJDTPRHGJPLS-UHFFFAOYSA-N 0 1 225.251 2.117 10 0 BEAEMN CC(C)(C)C[N@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000127667551 344591729 /nfs/dbraw/zinc/59/17/29/344591729.db2.gz TUBFVJWXKCLSQW-GFCCVEGCSA-N 0 1 213.321 2.362 10 0 BEAEMN CCOC(=O)c1ccc(O)c(C#N)c1CC ZINC000396137349 344613705 /nfs/dbraw/zinc/61/37/05/344613705.db2.gz ODVRDWGVABJIDZ-UHFFFAOYSA-N 0 1 219.240 2.003 10 0 BEAEMN CCOC(=O)Cc1cc(O)c(C#N)c(Cl)c1 ZINC000396153111 344625143 /nfs/dbraw/zinc/62/51/43/344625143.db2.gz SCJVLYRFVIXROR-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CCOC(=O)Cc1cc(O)c(Cl)c(C#N)c1 ZINC000396152366 344625200 /nfs/dbraw/zinc/62/52/00/344625200.db2.gz RUSCZEBCMXCZPQ-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CC[N@H+]1CC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000221343162 344734098 /nfs/dbraw/zinc/73/40/98/344734098.db2.gz SZNKROCWUOZFOH-LBPRGKRZSA-N 0 1 219.284 2.194 10 0 BEAEMN C[C@@H]1C[C@@H]1Nc1c(N)cncc1Br ZINC000235302041 344879169 /nfs/dbraw/zinc/87/91/69/344879169.db2.gz FWIMBYKGIWHDFY-XRGYYRRGSA-N 0 1 242.120 2.247 10 0 BEAEMN OCc1cnc(-c2cccc(Cl)c2)[nH]1 ZINC000062820473 347084917 /nfs/dbraw/zinc/08/49/17/347084917.db2.gz FSKHJWFZUPIZKV-UHFFFAOYSA-N 0 1 208.648 2.222 10 0 BEAEMN Cc1nccc(N2CCC2)c1Br ZINC000667362467 537875194 /nfs/dbraw/zinc/87/51/94/537875194.db2.gz WZGAJXIIMDICAZ-UHFFFAOYSA-N 0 1 227.105 2.363 10 0 BEAEMN CCN[C@H](C)c1cn(Cc2ccc(F)cc2)nn1 ZINC000385653445 345019667 /nfs/dbraw/zinc/01/96/67/345019667.db2.gz BBLGBMYTXAJVGX-SNVBAGLBSA-N 0 1 248.305 2.136 10 0 BEAEMN COC(=O)[C@H]1CCC[C@@](C)(c2ccccc2)C1=O ZINC000167204712 345144669 /nfs/dbraw/zinc/14/46/69/345144669.db2.gz WDZBBLDSAOBYTD-WFASDCNBSA-N 0 1 246.306 2.487 10 0 BEAEMN C[C@H](c1ccccn1)[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251272039 345492149 /nfs/dbraw/zinc/49/21/49/345492149.db2.gz OJFWZXBZSPXWIM-PWSUYJOCSA-N 0 1 234.299 2.082 10 0 BEAEMN c1cc([C@@H]2NCCc3sccc32)sn1 ZINC000404452758 537903509 /nfs/dbraw/zinc/90/35/09/537903509.db2.gz JVBUURONCVMEGM-SNVBAGLBSA-N 0 1 222.338 2.440 10 0 BEAEMN COc1ccc([C@@H]2NC[C@H](C)S2)cc1 ZINC000033878030 345704563 /nfs/dbraw/zinc/70/45/63/345704563.db2.gz CUYFTBAWLQPXHY-GZMMTYOYSA-N 0 1 209.314 2.419 10 0 BEAEMN N[C@@H]1c2ccccc2OCc2ncccc21 ZINC000034078190 345816608 /nfs/dbraw/zinc/81/66/08/345816608.db2.gz JNMWVKAEZFXVBQ-ZDUSSCGKSA-N 0 1 212.252 2.022 10 0 BEAEMN ON=Cc1c(F)cccc1Br ZINC000257354539 345774931 /nfs/dbraw/zinc/77/49/31/345774931.db2.gz YJPYUCCJWGUXAA-UHFFFAOYSA-N 0 1 218.025 2.396 10 0 BEAEMN Cc1cc(N2CCOCC2)c2cccc([O-])c2[nH+]1 ZINC000140871321 345858590 /nfs/dbraw/zinc/85/85/90/345858590.db2.gz SBDWJVPHAGVHHV-UHFFFAOYSA-N 0 1 244.294 2.085 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccncc1 ZINC000141118546 345859126 /nfs/dbraw/zinc/85/91/26/345859126.db2.gz VJEUDLGZVKDRFO-GFCCVEGCSA-N 0 1 236.315 2.013 10 0 BEAEMN O/N=C/COc1ccccc1Br ZINC000146080799 345951665 /nfs/dbraw/zinc/95/16/65/345951665.db2.gz SXKVCVLOGPCTBM-BJMVGYQFSA-N 0 1 230.061 2.288 10 0 BEAEMN CC[C@@H](CSC)NCc1ncnn1C(C)C ZINC000217329786 346299213 /nfs/dbraw/zinc/29/92/13/346299213.db2.gz IRXIROIMAXLEJI-JTQLQIEISA-N 0 1 242.392 2.090 10 0 BEAEMN Cc1nc(CN)sc1-c1ccnc(C)c1 ZINC000669379303 537978258 /nfs/dbraw/zinc/97/82/58/537978258.db2.gz BHIDPRZXKVBUSA-UHFFFAOYSA-N 0 1 219.313 2.281 10 0 BEAEMN C[C@@H]1C[C@H](C)CN(Cc2nc(CO)cs2)C1 ZINC000669379425 537979087 /nfs/dbraw/zinc/97/90/87/537979087.db2.gz ATZNRXVQGXCCER-AOOOYVTPSA-N 0 1 240.372 2.113 10 0 BEAEMN Cc1[nH]n(C)c(=O)c1Cc1ccc(F)cc1 ZINC000675054939 537980584 /nfs/dbraw/zinc/98/05/84/537980584.db2.gz WVTCXZNZIZSTHJ-UHFFFAOYSA-N 0 1 220.247 2.164 10 0 BEAEMN Cc1cccc(CNCc2ccncn2)c1 ZINC000054788783 179095520 /nfs/dbraw/zinc/09/55/20/179095520.db2.gz OTKYISFBDAZYAU-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN Cc1nc(C=O)[nH]c1-c1ccccc1F ZINC000168198055 346729334 /nfs/dbraw/zinc/72/93/34/346729334.db2.gz SDFVXZVNRURBFI-UHFFFAOYSA-N 0 1 204.204 2.337 10 0 BEAEMN C[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250498458 362807285 /nfs/dbraw/zinc/80/72/85/362807285.db2.gz ZWBDSPFRBFJPPP-GHMZBOCLSA-N 0 1 211.305 2.114 10 0 BEAEMN CCNC1(c2cn(C(C)(C)C)nn2)CCC1 ZINC000616568646 347450380 /nfs/dbraw/zinc/45/03/80/347450380.db2.gz DGBQGYPVSFXHRU-UHFFFAOYSA-N 0 1 222.336 2.022 10 0 BEAEMN Cc1oc(-c2ccccc2C)nc1CN ZINC000021634610 179238628 /nfs/dbraw/zinc/23/86/28/179238628.db2.gz KOARUWRZUVKAHI-UHFFFAOYSA-N 0 1 202.257 2.417 10 0 BEAEMN Cc1ccccc1-c1nc(C(C)(C)N)no1 ZINC000041052853 179236309 /nfs/dbraw/zinc/23/63/09/179236309.db2.gz XJMWOEJGPFXOPV-UHFFFAOYSA-N 0 1 217.272 2.239 10 0 BEAEMN c1ccc(C[N@@H+]2CCC[C@@]3(C2)NCCS3)cc1 ZINC000159130271 347479806 /nfs/dbraw/zinc/47/98/06/347479806.db2.gz SQKCAGTYUGSRQB-CQSZACIVSA-N 0 1 248.395 2.315 10 0 BEAEMN Oc1cc(C2CC2)cc2nc(C(F)(F)F)nn21 ZINC000725243193 537991161 /nfs/dbraw/zinc/99/11/61/537991161.db2.gz OXWAEHAVGQEHJI-UHFFFAOYSA-N 0 1 243.188 2.331 10 0 BEAEMN CNCc1csc([C@@H]2CC[C@@H](C)O2)n1 ZINC000149939579 347570616 /nfs/dbraw/zinc/57/06/16/347570616.db2.gz WRJISYHYEIFNPA-APPZFPTMSA-N 0 1 212.318 2.103 10 0 BEAEMN Cc1cccn2c(N)c(C3CCOCC3)nc12 ZINC000104364343 179354663 /nfs/dbraw/zinc/35/46/63/179354663.db2.gz GRGGWYHLTNGLGS-UHFFFAOYSA-N 0 1 231.299 2.119 10 0 BEAEMN Cc1cccnc1CNCc1cc[nH]c1 ZINC000080774070 179383118 /nfs/dbraw/zinc/38/31/18/179383118.db2.gz UQKUENODCVUAFO-UHFFFAOYSA-N 0 1 201.273 2.008 10 0 BEAEMN Cc1nc(CN2C[C@@H](O)CC[C@@H]2C)sc1C ZINC000399244904 323201490 /nfs/dbraw/zinc/20/14/90/323201490.db2.gz NGFHETBMUMBLGN-KWQFWETISA-N 0 1 240.372 2.105 10 0 BEAEMN NCc1ncccc1NC(=O)C1CCCCC1 ZINC000616574426 349079020 /nfs/dbraw/zinc/07/90/20/349079020.db2.gz ZQRCUEFNIKKMFJ-UHFFFAOYSA-N 0 1 233.315 2.059 10 0 BEAEMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000252589792 349200774 /nfs/dbraw/zinc/20/07/74/349200774.db2.gz CEKLZWZHAAEGEI-RAIGVLPGSA-N 0 1 245.322 2.121 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@@H]2CC[C@@H](C(=O)[O-])C[N@H+]2C1 ZINC000725254208 538044149 /nfs/dbraw/zinc/04/41/49/538044149.db2.gz UOCYFYVGKKMASA-MXWKQRLJSA-N 0 1 225.332 2.218 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@H]2CC[C@@H](C(=O)[O-])C[N@H+]2C1 ZINC000725254206 538043832 /nfs/dbraw/zinc/04/38/32/538043832.db2.gz UOCYFYVGKKMASA-GMTAPVOTSA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1nc(CNC2=N[C@H](C)CS2)cs1 ZINC000049534303 179968250 /nfs/dbraw/zinc/96/82/50/179968250.db2.gz SBVQZIQSYQFILY-ZCFIWIBFSA-N 0 1 227.358 2.032 10 0 BEAEMN Cc1nc([C@@]2(N)C[C@@H](C)CC(C)(C)C2)no1 ZINC000036762415 180046570 /nfs/dbraw/zinc/04/65/70/180046570.db2.gz QRCKZJUMXYBVQZ-QPUJVOFHSA-N 0 1 223.320 2.378 10 0 BEAEMN Cc1nc([C@H](C)N[C@@H]2CCO[C@@H]2C)cs1 ZINC000134061433 180051436 /nfs/dbraw/zinc/05/14/36/180051436.db2.gz MMFUUHVDEIOXLC-QXFUBDJGSA-N 0 1 226.345 2.280 10 0 BEAEMN C[C@H](c1ccccc1)[C@H](N)c1ncccn1 ZINC000725255290 538051083 /nfs/dbraw/zinc/05/10/83/538051083.db2.gz YRACVUZZXYMIFW-PWSUYJOCSA-N 0 1 213.284 2.280 10 0 BEAEMN C[C@H]1CCCCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC000304672748 350159526 /nfs/dbraw/zinc/15/95/26/350159526.db2.gz XOTLIPSGSWNGFP-VIFPVBQESA-N 0 1 238.287 2.137 10 0 BEAEMN N[C@@H](C(=O)NCC1CCCCC1)c1ccccc1 ZINC000037259856 191069084 /nfs/dbraw/zinc/06/90/84/191069084.db2.gz QLSJXSHGJBNYBQ-CQSZACIVSA-N 0 1 246.354 2.383 10 0 BEAEMN Cc1ncc(CNC2=N[C@@H](C)CS2)s1 ZINC000049534278 180150019 /nfs/dbraw/zinc/15/00/19/180150019.db2.gz QSXJPHDZDMLPCF-LURJTMIESA-N 0 1 227.358 2.032 10 0 BEAEMN Cc1nccc(CN[C@H](C)c2ccc(O)cc2)n1 ZINC000038037356 180191109 /nfs/dbraw/zinc/19/11/09/180191109.db2.gz VSIITGZJEZQEJP-SNVBAGLBSA-N 0 1 243.310 2.341 10 0 BEAEMN Cc1[nH+]ccn1Cc1ccc(/C=C\C(=O)[O-])cc1 ZINC000103377767 180268674 /nfs/dbraw/zinc/26/86/74/180268674.db2.gz ONCVCOVNMMNIPA-SREVYHEPSA-N 0 1 242.278 2.338 10 0 BEAEMN Cc1[nH+]ccn1[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062757475 180271339 /nfs/dbraw/zinc/27/13/39/180271339.db2.gz SWLTVLIMJJTEJN-QWRGUYRKSA-N 0 1 222.288 2.398 10 0 BEAEMN CC[C@@](C)(N)C(=O)c1ccc(F)cc1C ZINC000226665516 350447268 /nfs/dbraw/zinc/44/72/68/350447268.db2.gz XFEGEUQJZODQHA-GFCCVEGCSA-N 0 1 209.264 2.444 10 0 BEAEMN CCOC(=O)c1cc2ncc(Cl)cc2[nH]1 ZINC000095919852 350667133 /nfs/dbraw/zinc/66/71/33/350667133.db2.gz SKIVQYJOFLLWJR-UHFFFAOYSA-N 0 1 224.647 2.393 10 0 BEAEMN CC(=O)Nc1ccccc1[C@@H]1CN(C)CCCO1 ZINC000616598602 350676826 /nfs/dbraw/zinc/67/68/26/350676826.db2.gz NXHHJAMIHYWNNB-AWEZNQCLSA-N 0 1 248.326 2.038 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177546984 366008720 /nfs/dbraw/zinc/00/87/20/366008720.db2.gz IZTZMHDRQWWYIK-STQMWFEESA-N 0 1 248.374 2.228 10 0 BEAEMN CC(C)N1CCOC[C@H]1c1ccccc1CCO ZINC000616602941 350789391 /nfs/dbraw/zinc/78/93/91/350789391.db2.gz WMNPVPZRKZHKLC-HNNXBMFYSA-N 0 1 249.354 2.003 10 0 BEAEMN Cc1cc(-c2cnc(CN)s2)sn1 ZINC000306701831 350851263 /nfs/dbraw/zinc/85/12/63/350851263.db2.gz LNDPCHZGHLHRTQ-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN O=C([O-])c1cnc(C[NH2+]Cc2ccccc2)s1 ZINC000306675150 350826252 /nfs/dbraw/zinc/82/62/52/350826252.db2.gz RYVZYAACVMCPEL-UHFFFAOYSA-N 0 1 248.307 2.131 10 0 BEAEMN CC(C)[C@@H](C)Nc1nncc(N)c1Cl ZINC000306723870 350890894 /nfs/dbraw/zinc/89/08/94/350890894.db2.gz HQTVAJKOGMJEEH-ZCFIWIBFSA-N 0 1 214.700 2.169 10 0 BEAEMN CO[C@H](C(C)C)[C@H]1NCC[C@H](C)S1 ZINC000306761846 350987727 /nfs/dbraw/zinc/98/77/27/350987727.db2.gz DFAGZPFHFAOTRM-AEJSXWLSSA-N 0 1 203.351 2.099 10 0 BEAEMN N[C@H](c1nccs1)[C@@H]1CCCSC1 ZINC000306796648 351047543 /nfs/dbraw/zinc/04/75/43/351047543.db2.gz WVHHXVNHSOQDIF-SFYZADRCSA-N 0 1 214.359 2.286 10 0 BEAEMN CC(C)(C)N1CCOC[C@@H]1c1ccc(CO)cc1 ZINC000616636262 351124645 /nfs/dbraw/zinc/12/46/45/351124645.db2.gz CJMRZIVGQYZEII-CQSZACIVSA-N 0 1 249.354 2.351 10 0 BEAEMN CC(C)[N@@H+]1CCOC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616641543 351148460 /nfs/dbraw/zinc/14/84/60/351148460.db2.gz IGKPMKKQXDTCIP-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616641543 351148461 /nfs/dbraw/zinc/14/84/61/351148461.db2.gz IGKPMKKQXDTCIP-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)[N@H+]1CCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616644817 351165099 /nfs/dbraw/zinc/16/50/99/351165099.db2.gz JKPRZYNBYSKNNW-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)(C)N1CCO[C@H](c2cccc(N)c2)C1 ZINC000616645228 351167484 /nfs/dbraw/zinc/16/74/84/351167484.db2.gz ACOFWYTYUQXRSE-ZDUSSCGKSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)N1CCO[C@@H](c2ccc(N)cc2)C1 ZINC000616646318 351170291 /nfs/dbraw/zinc/17/02/91/351170291.db2.gz ZMPZGAKWWURJOM-CYBMUJFWSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@H](N)C(=O)c1cscc1Br ZINC000167987158 351181851 /nfs/dbraw/zinc/18/18/51/351181851.db2.gz OLPNIOCORYZUDA-BYPYZUCNSA-N 0 1 234.118 2.041 10 0 BEAEMN Clc1cc(CNC2CC2)nc(Cl)n1 ZINC000072194566 180575011 /nfs/dbraw/zinc/57/50/11/180575011.db2.gz ZURSGPRGPGZSLN-UHFFFAOYSA-N 0 1 218.087 2.035 10 0 BEAEMN CC(C)(C)N1CCCO[C@@H](OC(F)(F)F)C1 ZINC000616651944 351189942 /nfs/dbraw/zinc/18/99/42/351189942.db2.gz BVJOJQZDDGLLTK-QMMMGPOBSA-N 0 1 241.253 2.370 10 0 BEAEMN CC(C)(C)N1CCOC[C@@H]1c1ccccc1N ZINC000616637146 351133108 /nfs/dbraw/zinc/13/31/08/351133108.db2.gz MCNQFPLRLDQJKA-CYBMUJFWSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616638700 351140575 /nfs/dbraw/zinc/14/05/75/351140575.db2.gz ZSTFEOCXSOKWAS-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)(C)N1CCOC[C@@H]1c1ccc(N)cc1 ZINC000616638687 351140807 /nfs/dbraw/zinc/14/08/07/351140807.db2.gz ZETYTEJKTWVJDI-CYBMUJFWSA-N 0 1 234.343 2.441 10 0 BEAEMN CCN1c2ccccc2CC[C@H]1c1nnc[nH]1 ZINC000616670192 351232856 /nfs/dbraw/zinc/23/28/56/351232856.db2.gz LIOVLXDBAGPNKZ-LBPRGKRZSA-N 0 1 228.299 2.319 10 0 BEAEMN CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000616679668 351246130 /nfs/dbraw/zinc/24/61/30/351246130.db2.gz XCGIJEIWRBAZJG-GFCCVEGCSA-N 0 1 233.311 2.469 10 0 BEAEMN CC(C)[N@H+]1CCc2ccccc2[C@H]1c1cnno1 ZINC000616678436 351246137 /nfs/dbraw/zinc/24/61/37/351246137.db2.gz IEKRBLARBIKHNZ-AWEZNQCLSA-N 0 1 243.310 2.426 10 0 BEAEMN CC(C)N1CCc2ccccc2[C@H]1c1cnno1 ZINC000616678436 351246140 /nfs/dbraw/zinc/24/61/40/351246140.db2.gz IEKRBLARBIKHNZ-AWEZNQCLSA-N 0 1 243.310 2.426 10 0 BEAEMN CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000616679786 351246146 /nfs/dbraw/zinc/24/61/46/351246146.db2.gz XCGIJEIWRBAZJG-LBPRGKRZSA-N 0 1 233.311 2.469 10 0 BEAEMN CCN1C[C@H](c2cnc[nH]2)Nc2ccccc21 ZINC000616681985 351252208 /nfs/dbraw/zinc/25/22/08/351252208.db2.gz CXOVQVDENDBKMY-GFCCVEGCSA-N 0 1 228.299 2.403 10 0 BEAEMN CN1CCOCC[C@H]1c1ccc(F)cc1 ZINC000616660239 351210136 /nfs/dbraw/zinc/21/01/36/351210136.db2.gz WGCGDPTWWOGMMY-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN COC(=O)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000306976776 351396355 /nfs/dbraw/zinc/39/63/55/351396355.db2.gz DMCLIYRKZYFNRS-UHFFFAOYSA-N 0 1 228.610 2.142 10 0 BEAEMN Cn1cc([C@H](N)c2cc(Cl)ccc2F)cn1 ZINC000034957626 351363024 /nfs/dbraw/zinc/36/30/24/351363024.db2.gz LGPVAFWJRKEOHT-NSHDSACASA-N 0 1 239.681 2.261 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)C1[C@H](C)CCC[C@H]1C ZINC000252108097 363069393 /nfs/dbraw/zinc/06/93/93/363069393.db2.gz HITLCHJQBZFZBD-OPRDCNLKSA-N 0 1 213.321 2.216 10 0 BEAEMN O=c1[nH]c(NCc2ccccc2)ncc1Cl ZINC000307196256 351596401 /nfs/dbraw/zinc/59/64/01/351596401.db2.gz SYYXRYBEOJKTAJ-UHFFFAOYSA-N 0 1 235.674 2.448 10 0 BEAEMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942704 363073872 /nfs/dbraw/zinc/07/38/72/363073872.db2.gz HPKUMXLCLDGFQY-RKDXNWHRSA-N 0 1 238.287 2.136 10 0 BEAEMN Cc1ccc(C)c(C(=O)CNC2CC2)c1 ZINC000049812659 187608801 /nfs/dbraw/zinc/60/88/01/187608801.db2.gz UPHVTTGZZSGODB-UHFFFAOYSA-N 0 1 203.285 2.238 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000252114893 363123634 /nfs/dbraw/zinc/12/36/34/363123634.db2.gz IJFGSRTVWXCKBM-GMTAPVOTSA-N 0 1 213.321 2.216 10 0 BEAEMN CCc1c(C(=O)[O-])[nH+]c2ccc(Cl)cn21 ZINC000217077801 363126475 /nfs/dbraw/zinc/12/64/75/363126475.db2.gz NISZCXXPFTWZNM-UHFFFAOYSA-N 0 1 224.647 2.248 10 0 BEAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCC12CCCC2 ZINC000307534792 352641156 /nfs/dbraw/zinc/64/11/56/352641156.db2.gz HSXWRACZHBXTBN-SNVBAGLBSA-N 0 1 211.305 2.116 10 0 BEAEMN COC(=O)[C@@H]1CCCCN1CCC1CCC1 ZINC000398772621 353137740 /nfs/dbraw/zinc/13/77/40/353137740.db2.gz AQPCRTMYEYUKOT-LBPRGKRZSA-N 0 1 225.332 2.204 10 0 BEAEMN C[C@@H]1CO[C@@H](c2ccc(F)cc2F)CN1 ZINC000036673484 188278590 /nfs/dbraw/zinc/27/85/90/188278590.db2.gz LTDZVKIZVJJDGO-RDDDGLTNSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H]1CNC[C@H](c2ccc(Cl)s2)O1 ZINC000035286466 188284957 /nfs/dbraw/zinc/28/49/57/188284957.db2.gz SHDWLCJZQZRVPB-NKWVEPMBSA-N 0 1 217.721 2.451 10 0 BEAEMN Cc1cc(C)cc(C(=O)CNC2CC2)c1 ZINC000082531948 188294264 /nfs/dbraw/zinc/29/42/64/188294264.db2.gz RYAOGJRIKXKBBE-UHFFFAOYSA-N 0 1 203.285 2.238 10 0 BEAEMN CC(C)COc1ccc(Cl)c(C(=N)N)n1 ZINC000071186733 188305994 /nfs/dbraw/zinc/30/59/94/188305994.db2.gz OWDNLMKGVDBNDR-UHFFFAOYSA-N 0 1 227.695 2.054 10 0 BEAEMN CC(C)[C@H](N)c1nc2cccnc2s1 ZINC000075854192 188309094 /nfs/dbraw/zinc/30/90/94/188309094.db2.gz DXHGRFPDMGJDDI-QMMMGPOBSA-N 0 1 207.302 2.347 10 0 BEAEMN NCc1cnc(-c2ncc(Cl)s2)s1 ZINC000223211979 353359922 /nfs/dbraw/zinc/35/99/22/353359922.db2.gz PZTIXNLZJXPGCI-UHFFFAOYSA-N 0 1 231.733 2.379 10 0 BEAEMN Cc1nccc(N2CCC[C@H]2CO)c1Cl ZINC000308848625 188341763 /nfs/dbraw/zinc/34/17/63/188341763.db2.gz MCVRTRQJGLRUPY-VIFPVBQESA-N 0 1 226.707 2.005 10 0 BEAEMN CC(C)C[C@H](N)C(=O)c1cccc(F)c1 ZINC000071511524 188363763 /nfs/dbraw/zinc/36/37/63/188363763.db2.gz XRXBPYWURDNFRW-NSHDSACASA-N 0 1 209.264 2.382 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@H]1CCC[C@@H](C)CC1 ZINC000252231635 363224570 /nfs/dbraw/zinc/22/45/70/363224570.db2.gz ZYNBQPYYELAAAI-MXWKQRLJSA-N 0 1 213.321 2.360 10 0 BEAEMN COCCCCN[C@@H](C)c1ncc(C)o1 ZINC000230643747 363315787 /nfs/dbraw/zinc/31/57/87/363315787.db2.gz WYROMTGHUYMCDR-JTQLQIEISA-N 0 1 212.293 2.060 10 0 BEAEMN Cc1cccc(C)c1NC(=O)N1CCNC[C@@H]1C ZINC000335108190 354693933 /nfs/dbraw/zinc/69/39/33/354693933.db2.gz HLTWZOWPSNIEJJ-LBPRGKRZSA-N 0 1 247.342 2.129 10 0 BEAEMN Nc1nc(Nc2ccc3ccccc3c2)n[nH]1 ZINC000211008562 355980967 /nfs/dbraw/zinc/98/09/67/355980967.db2.gz WGMFRJYNDCEQJI-UHFFFAOYSA-N 0 1 225.255 2.284 10 0 BEAEMN Cc1ccccc1C(=O)[C@](C)(N)C1CC1 ZINC000168584033 356426695 /nfs/dbraw/zinc/42/66/95/356426695.db2.gz ZCRPHPLSLQUVNJ-CYBMUJFWSA-N 0 1 203.285 2.305 10 0 BEAEMN CC[C@H](C)Oc1cnc(-c2ccccn2)[nH]c1=O ZINC000675072440 538503679 /nfs/dbraw/zinc/50/36/79/538503679.db2.gz GPQVVVVRNIQFPR-VIFPVBQESA-N 0 1 245.282 2.422 10 0 BEAEMN C[C@H](C(=O)Nc1nc(CN)cs1)C(C)(C)C ZINC000675073638 538506047 /nfs/dbraw/zinc/50/60/47/538506047.db2.gz RHHAEYXLSZZBPG-SSDOTTSWSA-N 0 1 241.360 2.223 10 0 BEAEMN Cc1cnc([C@H](C)NCC[C@@H]2CCCO2)o1 ZINC000230417615 357524214 /nfs/dbraw/zinc/52/42/14/357524214.db2.gz AHYZPKWOUWPELO-QWRGUYRKSA-N 0 1 224.304 2.203 10 0 BEAEMN Cc1cnc([C@H](C)NCCc2cccnc2)o1 ZINC000230647878 357544765 /nfs/dbraw/zinc/54/47/65/357544765.db2.gz SDCIIJNXHHXOFI-NSHDSACASA-N 0 1 231.299 2.271 10 0 BEAEMN CCC(=O)CCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000232870691 357686309 /nfs/dbraw/zinc/68/63/09/357686309.db2.gz TXBLQVFDHPRXOY-UONOGXRCSA-N 0 1 239.359 2.389 10 0 BEAEMN CS[C@H](C)CNc1nccc(C)c1N ZINC000169040323 358014156 /nfs/dbraw/zinc/01/41/56/358014156.db2.gz ZOBIWPFKRPJPAG-MRVPVSSYSA-N 0 1 211.334 2.136 10 0 BEAEMN CSc1nc(N)cc(NCc2ccccc2)n1 ZINC000001745864 358219200 /nfs/dbraw/zinc/21/92/00/358219200.db2.gz QJXQRYOGPKRWFW-UHFFFAOYSA-N 0 1 246.339 2.393 10 0 BEAEMN OC(=C[C@@H](O)C(F)(F)F)c1ccsc1 ZINC000584634692 358318901 /nfs/dbraw/zinc/31/89/01/358318901.db2.gz SOUFDMATEYGUOQ-SSDOTTSWSA-N 0 1 224.203 2.244 10 0 BEAEMN C[C@@H](CC(=O)[O-])[N@H+]1CCSC(C)(C)CC1 ZINC000231054328 358579496 /nfs/dbraw/zinc/57/94/96/358579496.db2.gz BMVPCEXPAUHWPW-VIFPVBQESA-N 0 1 231.361 2.067 10 0 BEAEMN Cn1cccc1[C@@H]1COCCN1C1CCCC1 ZINC000131712567 358691286 /nfs/dbraw/zinc/69/12/86/358691286.db2.gz NUNKSXHJNGPJKD-AWEZNQCLSA-N 0 1 234.343 2.341 10 0 BEAEMN c1ccc2c(c1)CC[C@@H]2NCc1cnccn1 ZINC000054765626 358873000 /nfs/dbraw/zinc/87/30/00/358873000.db2.gz KAXWEAIAPSSMKG-AWEZNQCLSA-N 0 1 225.295 2.254 10 0 BEAEMN c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)[nH]n1 ZINC000136732057 358885753 /nfs/dbraw/zinc/88/57/53/358885753.db2.gz SCAUICDZXNZOQZ-LBPRGKRZSA-N 0 1 249.358 2.381 10 0 BEAEMN CC(C)CCOCCN1C[C@H](C)O[C@@H](C)C1 ZINC000056267251 358896077 /nfs/dbraw/zinc/89/60/77/358896077.db2.gz WPBXPRFLVZMQJK-STQMWFEESA-N 0 1 229.364 2.158 10 0 BEAEMN CC(C)CCOCC[N@@H+](C)C[C@H]1CCCO1 ZINC000056494955 358897910 /nfs/dbraw/zinc/89/79/10/358897910.db2.gz MRRSVPROUBSXCE-CYBMUJFWSA-N 0 1 229.364 2.160 10 0 BEAEMN Cc1nnc([C@]2(N)CCC[C@H](C)C2)s1 ZINC000306217512 359331729 /nfs/dbraw/zinc/33/17/29/359331729.db2.gz DCDRXVXHNQAAGT-XVKPBYJWSA-N 0 1 211.334 2.211 10 0 BEAEMN Cc1nnc(-c2coc(Br)c2)[nH]1 ZINC000306424770 359866754 /nfs/dbraw/zinc/86/67/54/359866754.db2.gz CBLXHLKAGRIOLV-UHFFFAOYSA-N 0 1 228.049 2.136 10 0 BEAEMN C[C@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)NCCS2 ZINC000306485962 360162343 /nfs/dbraw/zinc/16/23/43/360162343.db2.gz OGBQLBKULWLTOK-JSGCOSHPSA-N 0 1 248.395 2.314 10 0 BEAEMN C[C@@H](C[N@H+]1CCCC12CCCC2)C(=O)[O-] ZINC000306515295 360341344 /nfs/dbraw/zinc/34/13/44/360341344.db2.gz CQSFEABFJGYBSR-JTQLQIEISA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@H]1CC[C@@](F)(c2ccns2)CN1 ZINC000306597768 360519533 /nfs/dbraw/zinc/51/95/33/360519533.db2.gz ZVDIBQYJFKGFTN-CBAPKCEASA-N 0 1 200.282 2.080 10 0 BEAEMN Cc1ncsc1-c1nc(C(C)C)n[nH]1 ZINC000041057131 361214706 /nfs/dbraw/zinc/21/47/06/361214706.db2.gz AOAPXJHOIKIMHJ-UHFFFAOYSA-N 0 1 208.290 2.360 10 0 BEAEMN CSCc1nc(-c2ccccc2)n[nH]1 ZINC000069985509 361320341 /nfs/dbraw/zinc/32/03/41/361320341.db2.gz DFNMGMDIIHCKCJ-UHFFFAOYSA-N 0 1 205.286 2.335 10 0 BEAEMN CSCc1n[nH]c(-c2ccccc2)n1 ZINC000069985509 361320342 /nfs/dbraw/zinc/32/03/42/361320342.db2.gz DFNMGMDIIHCKCJ-UHFFFAOYSA-N 0 1 205.286 2.335 10 0 BEAEMN NC1(C(=O)OCC2CCCCC2)CCCC1 ZINC000052145441 181329408 /nfs/dbraw/zinc/32/94/08/181329408.db2.gz YJTXEJRJJMLYFG-UHFFFAOYSA-N 0 1 225.332 2.381 10 0 BEAEMN NC1(C(=O)OC2CCCCC2)CCCC1 ZINC000048632150 181329982 /nfs/dbraw/zinc/32/99/82/181329982.db2.gz CSLYYJQXPZPWIA-UHFFFAOYSA-N 0 1 211.305 2.134 10 0 BEAEMN CCc1nc(CN[C@H](C)c2ccc(C)o2)n[nH]1 ZINC000162457747 361352524 /nfs/dbraw/zinc/35/25/24/361352524.db2.gz SPWJNQNXPKGTFI-SECBINFHSA-N 0 1 234.303 2.119 10 0 BEAEMN NC1(C(=O)c2cccc(F)c2)CCCC1 ZINC000071510262 181331371 /nfs/dbraw/zinc/33/13/71/181331371.db2.gz XLYNSTNKXSIAKL-UHFFFAOYSA-N 0 1 207.248 2.280 10 0 BEAEMN N=C1N[C@H](C2CCC2)Nc2cccc(F)c21 ZINC000013493543 181339341 /nfs/dbraw/zinc/33/93/41/181339341.db2.gz TWDKMKHCHFFGDT-GFCCVEGCSA-N 0 1 219.263 2.083 10 0 BEAEMN CCOc1cccc(CNCc2cn[nH]c2)c1 ZINC000038006428 361666126 /nfs/dbraw/zinc/66/61/26/361666126.db2.gz BCTGQKYDQXHCAU-UHFFFAOYSA-N 0 1 231.299 2.098 10 0 BEAEMN C[C@@H]1CCCCN1Cc1ccc(C=O)o1 ZINC000161262160 363865593 /nfs/dbraw/zinc/86/55/93/363865593.db2.gz UWXQVUFCAKFNGK-SNVBAGLBSA-N 0 1 207.273 2.467 10 0 BEAEMN C[C@H]1CCCCN1Cc1ccc(C=O)o1 ZINC000161262276 363865724 /nfs/dbraw/zinc/86/57/24/363865724.db2.gz UWXQVUFCAKFNGK-JTQLQIEISA-N 0 1 207.273 2.467 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000173809105 365448223 /nfs/dbraw/zinc/44/82/23/365448223.db2.gz OOEVLCLTJMIMDS-OLZOCXBDSA-N 0 1 248.374 2.371 10 0 BEAEMN COC(=O)c1cccnc1CN1CC[C@@H](C)[C@H]1C ZINC000380589988 367247787 /nfs/dbraw/zinc/24/77/87/367247787.db2.gz TWYRQCVSXRFTSK-GHMZBOCLSA-N 0 1 248.326 2.099 10 0 BEAEMN N[C@H](Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000075951846 367981524 /nfs/dbraw/zinc/98/15/24/367981524.db2.gz USTQWSXTPXSCQL-OAHLLOKOSA-N 0 1 239.318 2.368 10 0 BEAEMN CCCC1(c2cccc(O)c2)CN(C)C1 ZINC000003631960 368876198 /nfs/dbraw/zinc/87/61/98/368876198.db2.gz CFDYNSALJJBAEH-UHFFFAOYSA-N 0 1 205.301 2.376 10 0 BEAEMN Clc1[nH]nc2ccnc(Br)c12 ZINC000514253587 369712048 /nfs/dbraw/zinc/71/20/48/369712048.db2.gz DQSVOTLLLZBWQR-UHFFFAOYSA-N 0 1 232.468 2.374 10 0 BEAEMN Cc1cc(C[N@H+]2CCC[C@@H]2CCCO)ccn1 ZINC000621254258 370187188 /nfs/dbraw/zinc/18/71/88/370187188.db2.gz NOWKIRXMNPNAGT-CQSZACIVSA-N 0 1 234.343 2.127 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CCC[N@H+]1C1CCCC1 ZINC000215633178 371602845 /nfs/dbraw/zinc/60/28/45/371602845.db2.gz QKGRVAIYRPUCDY-LBPRGKRZSA-N 0 1 211.305 2.258 10 0 BEAEMN CC[C@](C)(N)C(=O)c1ccc(F)cc1F ZINC000226662514 371720186 /nfs/dbraw/zinc/72/01/86/371720186.db2.gz AIGINSAGBAZROE-NSHDSACASA-N 0 1 213.227 2.275 10 0 BEAEMN C[C@H](NCc1ccccc1)c1ccncn1 ZINC000306880973 372074607 /nfs/dbraw/zinc/07/46/07/372074607.db2.gz LEWZQQJVVMACBW-NSHDSACASA-N 0 1 213.284 2.327 10 0 BEAEMN CCOC(=O)C[C@H](N)c1cc(F)c(F)cc1F ZINC000228763347 372079126 /nfs/dbraw/zinc/07/91/26/372079126.db2.gz HYQOSLCTPVTJNR-JTQLQIEISA-N 0 1 247.216 2.057 10 0 BEAEMN CCn1nccc1[C@@H](N)c1ccsc1 ZINC000069024990 373108145 /nfs/dbraw/zinc/10/81/45/373108145.db2.gz JWPRFKBPCWZJJB-JTQLQIEISA-N 0 1 207.302 2.013 10 0 BEAEMN O=C(NC1CCCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000131593220 182113035 /nfs/dbraw/zinc/11/30/35/182113035.db2.gz DWWMCVUBUSHYIF-NSHDSACASA-N 0 1 247.342 2.279 10 0 BEAEMN C[N@@H+](/C=C\C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000381918998 374167721 /nfs/dbraw/zinc/16/77/21/374167721.db2.gz JYSOTIXEFCNVEC-UQIALMMFSA-N 0 1 209.289 2.095 10 0 BEAEMN C[C@H](NC1=NC[C@@H](C)S1)c1nccs1 ZINC000070734416 374184439 /nfs/dbraw/zinc/18/44/39/374184439.db2.gz OXJNNLINXRDDJW-RQJHMYQMSA-N 0 1 227.358 2.285 10 0 BEAEMN CCCCNCc1cnn(-c2ccccc2)n1 ZINC000020245955 168871539 /nfs/dbraw/zinc/87/15/39/168871539.db2.gz SQGHSTXUIALSDC-UHFFFAOYSA-N 0 1 230.315 2.157 10 0 BEAEMN OCC[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000128033996 183095742 /nfs/dbraw/zinc/09/57/42/183095742.db2.gz PWWSYKKPTYOTIA-JTQLQIEISA-N 0 1 241.281 2.169 10 0 BEAEMN O[C@]1(c2ccc(F)c(F)c2)CCN(C2CC2)C1 ZINC000061987942 183252075 /nfs/dbraw/zinc/25/20/75/183252075.db2.gz VBDQFJWSWYRYJK-CYBMUJFWSA-N 0 1 239.265 2.021 10 0 BEAEMN Oc1ccc2c(nnn2CC2CC2)c1Cl ZINC000149010998 183284947 /nfs/dbraw/zinc/28/49/47/183284947.db2.gz VJNPTZLCAZZAQE-UHFFFAOYSA-N 0 1 223.663 2.200 10 0 BEAEMN Oc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC000006813649 183285595 /nfs/dbraw/zinc/28/55/95/183285595.db2.gz AFCVYAWGRLAVAZ-UHFFFAOYSA-N 0 1 211.224 2.331 10 0 BEAEMN Oc1ccc2nc(CC(F)(F)F)[nH]c2c1 ZINC000076039804 183285984 /nfs/dbraw/zinc/28/59/84/183285984.db2.gz QKXWYGFCLYSODF-UHFFFAOYSA-N 0 1 216.162 2.373 10 0 BEAEMN c1c[nH]c(-c2cnc(CNC3CC3)s2)c1 ZINC000083241376 183323952 /nfs/dbraw/zinc/32/39/52/183323952.db2.gz NGLOAENYYJHVNC-UHFFFAOYSA-N 0 1 219.313 2.390 10 0 BEAEMN c1[nH]c(-c2ccccc2)nc1C[NH2+]C1CC1 ZINC000062821384 183381798 /nfs/dbraw/zinc/38/17/98/183381798.db2.gz RHYOXCHUKFFRQK-UHFFFAOYSA-N 0 1 213.284 2.329 10 0 BEAEMN CCCNCc1nc(C)c(C(C)=O)s1 ZINC000049815189 169269376 /nfs/dbraw/zinc/26/93/76/169269376.db2.gz MUJAQPIOANRIRA-UHFFFAOYSA-N 0 1 212.318 2.154 10 0 BEAEMN CCCO[C@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000042423200 169311780 /nfs/dbraw/zinc/31/17/80/169311780.db2.gz WWPDVDZRJISBCE-LBPRGKRZSA-N 0 1 243.347 2.132 10 0 BEAEMN CCCO[C@@H]1CCC[N@H+]([C@@H](CC)CC(=O)[O-])C1 ZINC000062756090 169312390 /nfs/dbraw/zinc/31/23/90/169312390.db2.gz QUBKATBHCQZWMH-NWDGAFQWSA-N 0 1 243.347 2.131 10 0 BEAEMN CCC[C@@H](N)c1nncn1-c1ccccc1 ZINC000054526719 169394383 /nfs/dbraw/zinc/39/43/83/169394383.db2.gz RPPLSAYRISYXBY-LLVKDONJSA-N 0 1 216.288 2.067 10 0 BEAEMN CCC[C@@H](N)c1noc(-c2occc2C)n1 ZINC000041052514 169394994 /nfs/dbraw/zinc/39/49/94/169394994.db2.gz JCHDJZRVCFNLFT-MRVPVSSYSA-N 0 1 221.260 2.438 10 0 BEAEMN Cc1cnc([C@@H](C)NC[C@H]2CCSC2)o1 ZINC000226402952 134365686 /nfs/dbraw/zinc/36/56/86/134365686.db2.gz UBQAAFKOXHYLQF-NXEZZACHSA-N 0 1 226.345 2.387 10 0 BEAEMN Cc1cnc([C@H](C)NC[C@@H]2CCSC2)o1 ZINC000226402945 134365874 /nfs/dbraw/zinc/36/58/74/134365874.db2.gz UBQAAFKOXHYLQF-UWVGGRQHSA-N 0 1 226.345 2.387 10 0 BEAEMN CCCC[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](C)C1 ZINC000226859023 134370526 /nfs/dbraw/zinc/37/05/26/134370526.db2.gz HIQZWFQQPUSNTI-QWRGUYRKSA-N 0 1 213.321 2.219 10 0 BEAEMN C[C@@H](NCC(=O)NC(C)(C)C)c1cccs1 ZINC000035138568 383834758 /nfs/dbraw/zinc/83/47/58/383834758.db2.gz FLDHKDGTHZIQTJ-SECBINFHSA-N 0 1 240.372 2.313 10 0 BEAEMN CCOc1nc(Cl)nc2[nH]nc(SC)c21 ZINC000089222979 383948442 /nfs/dbraw/zinc/94/84/42/383948442.db2.gz OCMGJCZDJHTMJO-UHFFFAOYSA-N 0 1 244.707 2.127 10 0 BEAEMN CCCCc1n[nH]c2c1nc(CC(C)C)[nH]c2=O ZINC000089212113 383949728 /nfs/dbraw/zinc/94/97/28/383949728.db2.gz WWEDJDOAQFDRLN-UHFFFAOYSA-N 0 1 248.330 2.187 10 0 BEAEMN CCOc1ccccc1[C@@H](C)NCc1c[nH]nn1 ZINC000296307618 384035626 /nfs/dbraw/zinc/03/56/26/384035626.db2.gz NEKGHYPUVCDBMP-SNVBAGLBSA-N 0 1 246.314 2.054 10 0 BEAEMN CN[C@H](c1cnsn1)C1CCCCC1 ZINC000135145886 384068982 /nfs/dbraw/zinc/06/89/82/384068982.db2.gz PJHRKTRRBVIEJD-JTQLQIEISA-N 0 1 211.334 2.379 10 0 BEAEMN Cc1n[nH]c2c1[C@@H](O)C[C@H](c1ccco1)C2 ZINC000072415237 384098239 /nfs/dbraw/zinc/09/82/39/384098239.db2.gz WZNMXAFMPVUZEK-SCZZXKLOSA-N 0 1 218.256 2.075 10 0 BEAEMN CN(C)CCC(=O)c1nc2ccccc2s1 ZINC000072416264 384113050 /nfs/dbraw/zinc/11/30/50/384113050.db2.gz XBHGKIDPIDHLRP-UHFFFAOYSA-N 0 1 234.324 2.431 10 0 BEAEMN Cc1cnn(C)c1CN[C@H](C)c1cncc(F)c1 ZINC000352736753 384317053 /nfs/dbraw/zinc/31/70/53/384317053.db2.gz MUXJTZIHVANLQF-SNVBAGLBSA-N 0 1 248.305 2.113 10 0 BEAEMN CCC1(CNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000134474188 384359627 /nfs/dbraw/zinc/35/96/27/384359627.db2.gz HPOVKLVIZIRTJE-JTQLQIEISA-N 0 1 247.342 2.136 10 0 BEAEMN CCC[C@H](C(=O)Nc1cnccc1C)N(C)C ZINC000162015481 384558131 /nfs/dbraw/zinc/55/81/31/384558131.db2.gz WZNONQVWOGFXEV-GFCCVEGCSA-N 0 1 235.331 2.059 10 0 BEAEMN Cc1ccc(CNCc2ccoc2)cn1 ZINC000062103666 384615975 /nfs/dbraw/zinc/61/59/75/384615975.db2.gz GTNPPWVLOBLJQP-UHFFFAOYSA-N 0 1 202.257 2.273 10 0 BEAEMN OCc1cc(F)c(O)c(C(F)(F)F)c1 ZINC000575702685 384759507 /nfs/dbraw/zinc/75/95/07/384759507.db2.gz GLAGGCRTIHYMSB-UHFFFAOYSA-N 0 1 210.126 2.042 10 0 BEAEMN C[N@H+](Cc1cccnc1)C[C@H]1CCCC[C@@H]1O ZINC000053883660 384809366 /nfs/dbraw/zinc/80/93/66/384809366.db2.gz AVTWDZJQFZJQOI-KGLIPLIRSA-N 0 1 234.343 2.065 10 0 BEAEMN CCOc1cccc2c3n[nH]c(=O)c-3c[nH]c12 ZINC000072237119 384841018 /nfs/dbraw/zinc/84/10/18/384841018.db2.gz DMAVKMIVPDDEAZ-UHFFFAOYSA-N 0 1 229.239 2.215 10 0 BEAEMN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106423746 384916561 /nfs/dbraw/zinc/91/65/61/384916561.db2.gz BCUFSALWAZWLHP-TZMCWYRMSA-N 0 1 248.370 2.074 10 0 BEAEMN N[C@@H](c1cscn1)c1ccc(F)cc1 ZINC000062354744 385133213 /nfs/dbraw/zinc/13/32/13/385133213.db2.gz CQLFWFXULVGQDZ-SNVBAGLBSA-N 0 1 208.261 2.330 10 0 BEAEMN N[C@@H](c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062775956 385415355 /nfs/dbraw/zinc/41/53/55/385415355.db2.gz URVDAACBHQJWRN-QMMMGPOBSA-N 0 1 213.693 2.173 10 0 BEAEMN CCC[C@H](C(=O)Nc1cc(C)ccn1)N(C)C ZINC000156831639 385470455 /nfs/dbraw/zinc/47/04/55/385470455.db2.gz WFSOHRHPUFHMMR-LLVKDONJSA-N 0 1 235.331 2.059 10 0 BEAEMN C[C@H]1CC[C@@](N)(c2nccs2)CS1 ZINC000575533444 385892952 /nfs/dbraw/zinc/89/29/52/385892952.db2.gz BRQRVOBVKPPMCY-CBAPKCEASA-N 0 1 214.359 2.213 10 0 BEAEMN Cc1cnn(CCN[C@@H](C)c2ccc(F)cn2)c1 ZINC000221096790 385978069 /nfs/dbraw/zinc/97/80/69/385978069.db2.gz QHHXAQFYPOXUPS-NSHDSACASA-N 0 1 248.305 2.076 10 0 BEAEMN Cc1cnn(CCN[C@H](C)c2ccc(F)cn2)c1 ZINC000221096841 385979597 /nfs/dbraw/zinc/97/95/97/385979597.db2.gz QHHXAQFYPOXUPS-LLVKDONJSA-N 0 1 248.305 2.076 10 0 BEAEMN C/C=C/[C@H](N)c1nscc1Br ZINC000575544336 385964032 /nfs/dbraw/zinc/96/40/32/385964032.db2.gz DFRPNZMLBUWANP-SZKDQXIBSA-N 0 1 233.134 2.482 10 0 BEAEMN CCC[C@](C)(N)c1nc(-c2ccco2)no1 ZINC000054445099 386127456 /nfs/dbraw/zinc/12/74/56/386127456.db2.gz YTYGKKUHCOLQOS-NSHDSACASA-N 0 1 221.260 2.304 10 0 BEAEMN O=C(c1ccc(F)cc1O)N1C[C@H]2CCC[C@H]21 ZINC000336319568 386477790 /nfs/dbraw/zinc/47/77/90/386477790.db2.gz CEFFYOJMXGWULK-LDYMZIIASA-N 0 1 235.258 2.156 10 0 BEAEMN O=C(c1ccn[nH]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114435384 386748595 /nfs/dbraw/zinc/74/85/95/386748595.db2.gz DDCZBPHBWBMOCH-CQSZACIVSA-N 0 1 245.326 2.372 10 0 BEAEMN C[C@@H]1CCC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000334855439 386906496 /nfs/dbraw/zinc/90/64/96/386906496.db2.gz XLFAUAQMAJKAEH-RKDXNWHRSA-N 0 1 221.304 2.311 10 0 BEAEMN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)n[nH]1 ZINC000116211999 386928328 /nfs/dbraw/zinc/92/83/28/386928328.db2.gz WPAAPNCALZIONZ-NSHDSACASA-N 0 1 245.282 2.288 10 0 BEAEMN C[C@H]1C[C@]1(C)c1o[nH]c(=N)c1Br ZINC000575583585 387059138 /nfs/dbraw/zinc/05/91/38/387059138.db2.gz OHSYOMVIURQSKR-NVNXEXLPSA-N 0 1 231.093 2.147 10 0 BEAEMN O=C1CN(Cc2ccccc2)c2ccncc2N1 ZINC000575576791 387028115 /nfs/dbraw/zinc/02/81/15/387028115.db2.gz BGGLZJVJUZYAIM-UHFFFAOYSA-N 0 1 239.278 2.040 10 0 BEAEMN Cc1nccc(N[C@H](C)CF)c1Cl ZINC000575577133 387029514 /nfs/dbraw/zinc/02/95/14/387029514.db2.gz CDRGSQDNZZRCPR-ZCFIWIBFSA-N 0 1 202.660 2.235 10 0 BEAEMN CC(C)[N@H+]1C[C@H](C)[C@H](NCc2ccco2)C1 ZINC000228275977 387086529 /nfs/dbraw/zinc/08/65/29/387086529.db2.gz OIVJWASEHOGFHN-WCQYABFASA-N 0 1 222.332 2.098 10 0 BEAEMN c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000120035988 387150702 /nfs/dbraw/zinc/15/07/02/387150702.db2.gz MSDLLUDDJHMYDR-AWEZNQCLSA-N 0 1 249.358 2.363 10 0 BEAEMN c1n[nH]cc1[C@@H]1CCCCN1CCOCC1CC1 ZINC000120035988 387150706 /nfs/dbraw/zinc/15/07/06/387150706.db2.gz MSDLLUDDJHMYDR-AWEZNQCLSA-N 0 1 249.358 2.363 10 0 BEAEMN CC(C)(C)[C@H]1CCc2onc(CN)c2C1 ZINC000082645077 387155554 /nfs/dbraw/zinc/15/55/54/387155554.db2.gz NHUBHKDDRLTEOI-QMMMGPOBSA-N 0 1 208.305 2.284 10 0 BEAEMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CCC[C@H]1C ZINC000230170446 387238672 /nfs/dbraw/zinc/23/86/72/387238672.db2.gz GUTFTYTUJVUQJP-MFKMUULPSA-N 0 1 249.358 2.203 10 0 BEAEMN CC1CC(c2o[nH]c(=N)c2Br)C1 ZINC000575487065 387255375 /nfs/dbraw/zinc/25/53/75/387255375.db2.gz OESKIHJFCBFJHK-UHFFFAOYSA-N 0 1 231.093 2.363 10 0 BEAEMN COC(=O)c1ccccc1CN1C[C@@H]2CCC[C@H]21 ZINC000353897760 387291961 /nfs/dbraw/zinc/29/19/61/387291961.db2.gz JIZVZVURQVZJIK-GXTWGEPZSA-N 0 1 245.322 2.458 10 0 BEAEMN C[C@H]1OCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000292966653 387337196 /nfs/dbraw/zinc/33/71/96/387337196.db2.gz LWGOHSVCUCHDMM-PSASIEDQSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1cccc(O)c1Cl ZINC000292966653 387337197 /nfs/dbraw/zinc/33/71/97/387337197.db2.gz LWGOHSVCUCHDMM-PSASIEDQSA-N 0 1 241.718 2.313 10 0 BEAEMN CCOc1ccccc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352668925 387429238 /nfs/dbraw/zinc/42/92/38/387429238.db2.gz VYQKUVSMIQQDCG-UONOGXRCSA-N 0 1 249.354 2.431 10 0 BEAEMN C[C@@H]1NCCC[C@@]1(F)c1cncs1 ZINC000575517709 387434427 /nfs/dbraw/zinc/43/44/27/387434427.db2.gz HVRZXNDAOKXSKQ-CBAPKCEASA-N 0 1 200.282 2.080 10 0 BEAEMN C[C@@H]1CC[C@](F)(c2cncs2)CN1 ZINC000575518754 387439896 /nfs/dbraw/zinc/43/98/96/387439896.db2.gz SXEZCIJZKQGMQM-VXNVDRBHSA-N 0 1 200.282 2.080 10 0 BEAEMN COC(=O)c1c(F)cc(O)cc1C(F)(F)F ZINC000575714331 387409372 /nfs/dbraw/zinc/40/93/72/387409372.db2.gz RRHIAOLWYNHAGP-UHFFFAOYSA-N 0 1 238.136 2.337 10 0 BEAEMN C[C@H](O)C(C)(C)NCc1csc(C2CC2)n1 ZINC000127131776 387705386 /nfs/dbraw/zinc/70/53/86/387705386.db2.gz NZJOYHPHFMGNKA-QMMMGPOBSA-N 0 1 240.372 2.270 10 0 BEAEMN Cc1csc(CN2CCCC[C@@H](CO)C2)n1 ZINC000378125160 387765422 /nfs/dbraw/zinc/76/54/22/387765422.db2.gz GQJGPRXNKYZWLE-LLVKDONJSA-N 0 1 240.372 2.046 10 0 BEAEMN CN(Cc1ccc(F)cc1)Cc1ccnc(N)c1 ZINC000052731598 387806759 /nfs/dbraw/zinc/80/67/59/387806759.db2.gz IZPRKQHCZBXREW-UHFFFAOYSA-N 0 1 245.301 2.435 10 0 BEAEMN CN(C)[C@H](CNCC(F)(F)F)c1ccccc1 ZINC000053994423 387974567 /nfs/dbraw/zinc/97/45/67/387974567.db2.gz CARYULKRJBLORG-LLVKDONJSA-N 0 1 246.276 2.441 10 0 BEAEMN c1ccc(CCN2CCO[C@@H]3CCCC[C@H]32)nc1 ZINC000246028625 388003049 /nfs/dbraw/zinc/00/30/49/388003049.db2.gz RNVZRGUMPYXETN-HUUCEWRRSA-N 0 1 246.354 2.268 10 0 BEAEMN c1ccc(CCN2CCO[C@H]3CCCC[C@H]32)nc1 ZINC000246028620 388003072 /nfs/dbraw/zinc/00/30/72/388003072.db2.gz RNVZRGUMPYXETN-CABCVRRESA-N 0 1 246.354 2.268 10 0 BEAEMN c1n[nH]cc1CN[C@H]1CCOc2ccccc21 ZINC000038005905 388099708 /nfs/dbraw/zinc/09/97/08/388099708.db2.gz KQQVTHURLKUWLP-LBPRGKRZSA-N 0 1 229.283 2.023 10 0 BEAEMN c1n[nH]cc1CN[C@H]1CSCc2ccccc21 ZINC000038006417 388109369 /nfs/dbraw/zinc/10/93/69/388109369.db2.gz QYTNXFQFGNEUHZ-ZDUSSCGKSA-N 0 1 245.351 2.487 10 0 BEAEMN CCCN(Cc1nnc(C)n1CC)CC1CC1 ZINC000195429639 388163098 /nfs/dbraw/zinc/16/30/98/388163098.db2.gz NBFSQPPJZDGXFC-UHFFFAOYSA-N 0 1 236.363 2.228 10 0 BEAEMN N=c1[nH]oc([C@@H]2C[C@H]2C2CC2)c1Br ZINC000575521962 388357866 /nfs/dbraw/zinc/35/78/66/388357866.db2.gz UUVCISASDKYZSD-NTSWFWBYSA-N 0 1 243.104 2.363 10 0 BEAEMN CN[C@H]1c2ccccc2Oc2ncccc21 ZINC000075621654 388575155 /nfs/dbraw/zinc/57/51/55/388575155.db2.gz WXDBRWHFGDQZHG-LBPRGKRZSA-N 0 1 212.252 2.496 10 0 BEAEMN CC[C@@H]1C[C@H]1CNCc1csc(COC)n1 ZINC000648731987 388753315 /nfs/dbraw/zinc/75/33/15/388753315.db2.gz BITPMOXOAHCJDM-ZJUUUORDSA-N 0 1 240.372 2.425 10 0 BEAEMN C[C@H]1CCCC[N@H+]1c1ccc(N)c(C(=O)[O-])c1 ZINC000058013961 132367750 /nfs/dbraw/zinc/36/77/50/132367750.db2.gz XQSCZBGYEUZXOU-VIFPVBQESA-N 0 1 234.299 2.346 10 0 BEAEMN CC(C)CC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000335990065 134039739 /nfs/dbraw/zinc/03/97/39/134039739.db2.gz FTUCMFIANYBWCW-CHWSQXEVSA-N 0 1 238.375 2.118 10 0 BEAEMN COCC(C)(C)n1c(C)nc2cc(N)ccc21 ZINC000167918770 134154631 /nfs/dbraw/zinc/15/46/31/134154631.db2.gz YFXOVWSGYGOFCX-UHFFFAOYSA-N 0 1 233.315 2.308 10 0 BEAEMN C[C@@H]1CN(CCN(C)c2ccccc2)C[C@@H](C)O1 ZINC000177225851 134295997 /nfs/dbraw/zinc/29/59/97/134295997.db2.gz XXWRXOFOYDZYFH-ZIAGYGMSSA-N 0 1 248.370 2.232 10 0 BEAEMN CSCCCN[C@H](C)c1ncc(C)o1 ZINC000220943249 134314858 /nfs/dbraw/zinc/31/48/58/134314858.db2.gz NCTJSYLDBFTLOO-SECBINFHSA-N 0 1 214.334 2.387 10 0 BEAEMN Cc1cnc([C@@H](C)NCC2CCOCC2)o1 ZINC000220931109 134314974 /nfs/dbraw/zinc/31/49/74/134314974.db2.gz IYVZDZNGPFUCSN-SNVBAGLBSA-N 0 1 224.304 2.060 10 0 BEAEMN Cc1cncc(NC(=O)[C@H](N)c2ccccc2)c1 ZINC000226400097 134365303 /nfs/dbraw/zinc/36/53/03/134365303.db2.gz VSFNNINOQXFTFU-CYBMUJFWSA-N 0 1 241.294 2.029 10 0 BEAEMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(C)n1CC ZINC000185596239 134382422 /nfs/dbraw/zinc/38/24/22/134382422.db2.gz ADJGEMJDIICIKG-CMPLNLGQSA-N 0 1 236.363 2.227 10 0 BEAEMN OCC[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000227566396 134383476 /nfs/dbraw/zinc/38/34/76/134383476.db2.gz VMGXAHHCWBIBRJ-SNVBAGLBSA-N 0 1 241.281 2.169 10 0 BEAEMN CC(C)CC[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263087298 135331827 /nfs/dbraw/zinc/33/18/27/135331827.db2.gz SWYNRQNXDUVIKQ-QWRGUYRKSA-N 0 1 213.321 2.218 10 0 BEAEMN CN1CCO[C@H](c2cc3ccccc3nn2)CC1 ZINC000616686375 397926865 /nfs/dbraw/zinc/92/68/65/397926865.db2.gz IXFVATUFMPBXAH-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)NCc1csc(N2CCCC2)n1 ZINC000062214898 167120386 /nfs/dbraw/zinc/12/03/86/167120386.db2.gz KPBNYKRMZPKVDX-UHFFFAOYSA-N 0 1 225.361 2.241 10 0 BEAEMN Brc1scc2c1CNCC2 ZINC000082368773 166109264 /nfs/dbraw/zinc/10/92/64/166109264.db2.gz YLGLXFFCQIMYQI-UHFFFAOYSA-N 0 1 218.119 2.156 10 0 BEAEMN CC(C)[N@H+]1Cc2cc(F)ccc2C[C@@H]1C(=O)[O-] ZINC000016082861 167034852 /nfs/dbraw/zinc/03/48/52/167034852.db2.gz HUPVFYQYSOOCLF-GFCCVEGCSA-N 0 1 237.274 2.045 10 0 BEAEMN CC(C)NCC(=O)c1ccc(F)cc1F ZINC000082533758 167098126 /nfs/dbraw/zinc/09/81/26/167098126.db2.gz JSOKGBGAEGIBGE-UHFFFAOYSA-N 0 1 213.227 2.146 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@@H+](C)C1CCCCC1 ZINC000011799113 167345793 /nfs/dbraw/zinc/34/57/93/167345793.db2.gz YCHPYGDHSBEPPI-NSHDSACASA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)[C@@H](C)N(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881641 167366257 /nfs/dbraw/zinc/36/62/57/167366257.db2.gz BISUSXXFRYKQFW-IUODEOHRSA-N 0 1 248.370 2.363 10 0 BEAEMN O=C([O-])C[N@@H+](C/C=C\c1ccccc1)CC1CC1 ZINC000209622068 411000314 /nfs/dbraw/zinc/00/03/14/411000314.db2.gz JBOUDFHEHQTFRM-DAXSKMNVSA-N 0 1 245.322 2.496 10 0 BEAEMN O=C(CCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000061919996 411200322 /nfs/dbraw/zinc/20/03/22/411200322.db2.gz KAJGQGSKRZRQJA-UHFFFAOYSA-N 0 1 247.338 2.372 10 0 BEAEMN CCN(CC)c1ccc(NCC(=O)OC)cc1 ZINC000062996299 169804315 /nfs/dbraw/zinc/80/43/15/169804315.db2.gz IVUVGLUKIHDFRW-UHFFFAOYSA-N 0 1 236.315 2.118 10 0 BEAEMN CCC[C@H](C)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000051322679 411271592 /nfs/dbraw/zinc/27/15/92/411271592.db2.gz YEEBPMRNHBQXPO-UWVGGRQHSA-N 0 1 201.310 2.218 10 0 BEAEMN CC1CCC([N@@H+](C)C/C=C/C(=O)[O-])CC1 ZINC000051859707 168158671 /nfs/dbraw/zinc/15/86/71/168158671.db2.gz UNCVRPWPHHWSET-ONEGZZNKSA-N 0 1 211.305 2.138 10 0 BEAEMN CC1CCC(N)(C(=O)OC(C)(C)C)CC1 ZINC000037729928 168159574 /nfs/dbraw/zinc/15/95/74/168159574.db2.gz SIMUGCCJPNUKBY-UHFFFAOYSA-N 0 1 213.321 2.236 10 0 BEAEMN CCC(C)(C)C1CCC(N)(C(=O)OC)CC1 ZINC000037459702 168270122 /nfs/dbraw/zinc/27/01/22/168270122.db2.gz RORIJEZWKXNLRF-UHFFFAOYSA-N 0 1 227.348 2.483 10 0 BEAEMN CC1(C)CCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000305900422 411427502 /nfs/dbraw/zinc/42/75/02/411427502.db2.gz ALLBVEAUQNWAOD-UHFFFAOYSA-N 0 1 248.326 2.402 10 0 BEAEMN C[C@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])[C@H]1C ZINC000305993303 411430165 /nfs/dbraw/zinc/43/01/65/411430165.db2.gz TZVCCMCPPFOTGN-QWRGUYRKSA-N 0 1 248.326 2.400 10 0 BEAEMN C[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])[C@@H]1C ZINC000305993299 411430302 /nfs/dbraw/zinc/43/03/02/411430302.db2.gz TZVCCMCPPFOTGN-GHMZBOCLSA-N 0 1 248.326 2.400 10 0 BEAEMN COc1cccc(N2N=C3CCC[C@@H]3C2=O)c1 ZINC000123507377 411452945 /nfs/dbraw/zinc/45/29/45/411452945.db2.gz YYOKDAWHOVSUAZ-NSHDSACASA-N 0 1 230.267 2.198 10 0 BEAEMN COc1cccc(-n2[nH]c3c(c2=O)CCC3)c1 ZINC000123507377 411452948 /nfs/dbraw/zinc/45/29/48/411452948.db2.gz YYOKDAWHOVSUAZ-NSHDSACASA-N 0 1 230.267 2.198 10 0 BEAEMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC1=CCCC1 ZINC000306989147 411464245 /nfs/dbraw/zinc/46/42/45/411464245.db2.gz RRTFCIGWHUQIGI-GFCCVEGCSA-N 0 1 209.289 2.036 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000657421935 411503091 /nfs/dbraw/zinc/50/30/91/411503091.db2.gz SBNPBENXTAYPBS-XVKPBYJWSA-N 0 1 245.244 2.371 10 0 BEAEMN CC[NH2+]C(C)(C)c1nnc(C2CCCC2)[n-]1 ZINC000061151998 170107845 /nfs/dbraw/zinc/10/78/45/170107845.db2.gz DEAWBTRCYBMEGZ-UHFFFAOYSA-N 0 1 222.336 2.307 10 0 BEAEMN CCNCc1csc(N(CC)CC)n1 ZINC000062214892 170130313 /nfs/dbraw/zinc/13/03/13/170130313.db2.gz JZUBMRSURPFYBY-UHFFFAOYSA-N 0 1 213.350 2.099 10 0 BEAEMN CCN[C@@H](c1cnn(C)c1)c1ccccc1OC ZINC000035555976 170149507 /nfs/dbraw/zinc/14/95/07/170149507.db2.gz SQJZAZXLHGBILM-AWEZNQCLSA-N 0 1 245.326 2.128 10 0 BEAEMN CCN[C@@H]1CC[S@](=O)c2c(F)ccc(F)c21 ZINC000040977583 170154173 /nfs/dbraw/zinc/15/41/73/170154173.db2.gz ICVIFZYIUZIEHH-JDNHERCYSA-N 0 1 245.294 2.127 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2ccoc2C)o1 ZINC000050618690 170160042 /nfs/dbraw/zinc/16/00/42/170160042.db2.gz IHGAENAGZUONDI-SSDOTTSWSA-N 0 1 221.260 2.309 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2cccc(C)n2)o1 ZINC000050618716 170160407 /nfs/dbraw/zinc/16/04/07/170160407.db2.gz DLEVFEKTNJDXLM-SECBINFHSA-N 0 1 232.287 2.111 10 0 BEAEMN CCOC(=O)C1(N)CCC(C(C)C)CC1 ZINC000054557394 170190400 /nfs/dbraw/zinc/19/04/00/170190400.db2.gz USAUOLJADNSHAW-UHFFFAOYSA-N 0 1 213.321 2.093 10 0 BEAEMN CCOC(=O)Nc1ccc2nc[nH]c2c1 ZINC000065006335 170243896 /nfs/dbraw/zinc/24/38/96/170243896.db2.gz PCTCRCQRAXQEHP-UHFFFAOYSA-N 0 1 205.217 2.131 10 0 BEAEMN CCOC(=O)[C@H]1CCCN(C/C=C\Cl)C1 ZINC000208231432 170279916 /nfs/dbraw/zinc/27/99/16/170279916.db2.gz DJGSXMRWIZXZHG-OAQKJQOQSA-N 0 1 231.723 2.014 10 0 BEAEMN CCOC(=O)[C@]1(N)CCCC[C@@H]1C(C)(C)C ZINC000037459850 170285702 /nfs/dbraw/zinc/28/57/02/170285702.db2.gz IQOZBAVSFTZLKZ-MFKMUULPSA-N 0 1 227.348 2.483 10 0 BEAEMN CCOC(=O)c1c[nH]c2cc(C)cnc12 ZINC000095803880 170289800 /nfs/dbraw/zinc/28/98/00/170289800.db2.gz ZASIDYCYCNXKHC-UHFFFAOYSA-N 0 1 204.229 2.048 10 0 BEAEMN CCOc1cccc(OCc2cc(CN)no2)c1 ZINC000052594159 170583413 /nfs/dbraw/zinc/58/34/13/170583413.db2.gz BQXOTZZZQOEDGN-UHFFFAOYSA-N 0 1 248.282 2.111 10 0 BEAEMN CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662211467 412025942 /nfs/dbraw/zinc/02/59/42/412025942.db2.gz OYTXTPZYVJKKLK-KXUCPTDWSA-N 0 1 249.301 2.320 10 0 BEAEMN CC[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000134493673 171006180 /nfs/dbraw/zinc/00/61/80/171006180.db2.gz JAABQZRULFXHOK-MNOVXSKESA-N 0 1 247.342 2.088 10 0 BEAEMN CC[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCO1 ZINC000052097001 171087018 /nfs/dbraw/zinc/08/70/18/171087018.db2.gz FUFIOKMXZPWJQG-CABCVRRESA-N 0 1 249.354 2.005 10 0 BEAEMN CC[C@@H]1COCCN1[C@H]1CNc2ccccc2C1 ZINC000037761152 171108485 /nfs/dbraw/zinc/10/84/85/171108485.db2.gz KGCMELKKYDJDDM-ZIAGYGMSSA-N 0 1 246.354 2.134 10 0 BEAEMN CC[C@@H]1CSC(NCc2nccs2)=N1 ZINC000049534283 171114796 /nfs/dbraw/zinc/11/47/96/171114796.db2.gz YXBNMOSYDKPDFP-SSDOTTSWSA-N 0 1 227.358 2.114 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2ccc(C)o2)n1 ZINC000041052929 171172614 /nfs/dbraw/zinc/17/26/14/171172614.db2.gz CKNXFWRVIFXURL-LLVKDONJSA-N 0 1 221.260 2.222 10 0 BEAEMN CC[C@H](C)[C@@](C)(N)c1noc(C(F)(F)F)n1 ZINC000037745415 171382253 /nfs/dbraw/zinc/38/22/53/171382253.db2.gz OIRXQORZAUWMLA-YLWLKBPMSA-N 0 1 237.225 2.308 10 0 BEAEMN CC[C@H](C)[C@@](C)(N)c1noc(C(C)C)n1 ZINC000037745400 171382315 /nfs/dbraw/zinc/38/23/15/171382315.db2.gz OBTJEHSGZGPSEK-GZMMTYOYSA-N 0 1 211.309 2.413 10 0 BEAEMN CCn1ccnc1NCc1ccc(C)nc1 ZINC000062054836 172227920 /nfs/dbraw/zinc/22/79/20/172227920.db2.gz VRMSPOWCOYADAL-UHFFFAOYSA-N 0 1 216.288 2.219 10 0 BEAEMN CCn1ccnc1[C@@H](NC)c1cccs1 ZINC000041048684 172228928 /nfs/dbraw/zinc/22/89/28/172228928.db2.gz OUTYYOXKWRSLPB-JTQLQIEISA-N 0 1 221.329 2.273 10 0 BEAEMN CNCc1nc(CN2CCC(C)CC2)cs1 ZINC000052376799 173395826 /nfs/dbraw/zinc/39/58/26/173395826.db2.gz UZEDFZQMYVLFPH-UHFFFAOYSA-N 0 1 239.388 2.094 10 0 BEAEMN CNCc1nc2cc(Br)ccc2o1 ZINC000062533296 173396867 /nfs/dbraw/zinc/39/68/67/173396867.db2.gz WTRFKCJYSFULGU-UHFFFAOYSA-N 0 1 241.088 2.310 10 0 BEAEMN CNCc1nnc(-c2ccc(Cl)cc2F)o1 ZINC000050615344 173397141 /nfs/dbraw/zinc/39/71/41/173397141.db2.gz OAANYNGMBPHTBO-UHFFFAOYSA-N 0 1 241.653 2.249 10 0 BEAEMN COCCOC[C@@H](N)c1cc2ccccc2o1 ZINC000019263958 174362652 /nfs/dbraw/zinc/36/26/52/174362652.db2.gz URAQETVGWKDUHZ-LLVKDONJSA-N 0 1 235.283 2.096 10 0 BEAEMN COc1ccc(C)cc1-c1cc(CN)no1 ZINC000020270365 175071690 /nfs/dbraw/zinc/07/16/90/175071690.db2.gz HVFNRLPGYQFROZ-UHFFFAOYSA-N 0 1 218.256 2.117 10 0 BEAEMN COc1ccc(OC)c([C@@H](N)c2cccnc2)c1 ZINC000011832154 175168176 /nfs/dbraw/zinc/16/81/76/175168176.db2.gz URJXSSBKDMSZIV-AWEZNQCLSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccc(OC)c([C@@H](N)c2ccoc2)c1 ZINC000035379801 175168480 /nfs/dbraw/zinc/16/84/80/175168480.db2.gz GPUMTTFQJQWPEB-ZDUSSCGKSA-N 0 1 233.267 2.345 10 0 BEAEMN COc1cccc(C(=O)[C@@H]2CCCCN2)c1 ZINC000071521299 175247110 /nfs/dbraw/zinc/24/71/10/175247110.db2.gz HWMBGNZYSJIYGT-LBPRGKRZSA-N 0 1 219.284 2.020 10 0 BEAEMN COc1cccc(C[N@@H+](C)C/C(C)=C/C(=O)[O-])c1 ZINC000104270402 175253462 /nfs/dbraw/zinc/25/34/62/175253462.db2.gz RRMPQPIKNJOPRP-YRNVUSSQSA-N 0 1 249.310 2.158 10 0 BEAEMN COc1cccc([C@@H](N)c2cc(C)ccn2)c1 ZINC000104427466 175289072 /nfs/dbraw/zinc/28/90/72/175289072.db2.gz YGMYIKVTYSEUNO-CQSZACIVSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1cccc([C@H](N)c2cccc(C)n2)c1 ZINC000104160050 175294791 /nfs/dbraw/zinc/29/47/91/175294791.db2.gz JSSOEHHQHYHNAJ-AWEZNQCLSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1cccc2c(N)c(C)c(C)nc12 ZINC000050868647 175300411 /nfs/dbraw/zinc/30/04/11/175300411.db2.gz XUJNRPFQPHJJQP-UHFFFAOYSA-N 0 1 202.257 2.442 10 0 BEAEMN COc1ccccc1/C=C\CN1CCC[C@H](O)C1 ZINC000103862750 175315447 /nfs/dbraw/zinc/31/54/47/175315447.db2.gz LHQPFCURFYWCEW-ZBKLQPJUSA-N 0 1 247.338 2.165 10 0 BEAEMN COc1ccccc1C(=O)[C@@H](N)CC(C)C ZINC000032013956 175319113 /nfs/dbraw/zinc/31/91/13/175319113.db2.gz NPTMXMQOLPWMBF-NSHDSACASA-N 0 1 221.300 2.251 10 0 BEAEMN C[C@@H]1CCC(=O)[C@H](CN2CCOCC2(C)C)C1 ZINC000053929946 176061685 /nfs/dbraw/zinc/06/16/85/176061685.db2.gz GUKIQYXEPATGTN-NEPJUHHUSA-N 0 1 239.359 2.103 10 0 BEAEMN C[C@@H]1CCC[N@@H+](Cc2cccnc2C(=O)[O-])C1 ZINC000062750308 176102343 /nfs/dbraw/zinc/10/23/43/176102343.db2.gz YSNJRUUAVTVVSU-SNVBAGLBSA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@@H]1CCC[N@H+]1C1(C(=O)[O-])CCCCC1 ZINC000041838940 176107576 /nfs/dbraw/zinc/10/75/76/176107576.db2.gz ZBVAWDNGDYAQEX-SNVBAGLBSA-N 0 1 211.305 2.258 10 0 BEAEMN C[C@@H]1CCC[C@@H]([N@@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859731 176120399 /nfs/dbraw/zinc/12/03/99/176120399.db2.gz JYMDVABOMXLBFM-OZSGMGSPSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@@H]1CCC[C@@](N)(c2noc(C(F)(F)F)n2)C1 ZINC000036764991 176133705 /nfs/dbraw/zinc/13/37/05/176133705.db2.gz FSRANNAZECSADK-MUWHJKNJSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@@H]1CC[N@@H+](CC2(C(=O)[O-])CCCCC2)C1 ZINC000051288756 176167951 /nfs/dbraw/zinc/16/79/51/176167951.db2.gz PQFVYZKRZHAYJW-LLVKDONJSA-N 0 1 225.332 2.363 10 0 BEAEMN C[C@@H]1CN(CC[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000216211585 176292987 /nfs/dbraw/zinc/29/29/87/176292987.db2.gz CMJMYWPNEBLCGB-UMVBOHGHSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@@H]1CN(Cc2ccc3c(c2)CCN3)[C@H](C)CO1 ZINC000035787380 176304850 /nfs/dbraw/zinc/30/48/50/176304850.db2.gz NPESQTQTMNNHGD-VXGBXAGGSA-N 0 1 246.354 2.264 10 0 BEAEMN C[C@@H]1C[C@@H]1C[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000104414003 176391525 /nfs/dbraw/zinc/39/15/25/176391525.db2.gz FEDGUVHBSDDSSN-RKDXNWHRSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@H](NCC(=O)N(C)C)c1cccc(Cl)c1 ZINC000037207583 176831153 /nfs/dbraw/zinc/83/11/53/176831153.db2.gz DTMOVEXQMGEPOO-VIFPVBQESA-N 0 1 240.734 2.079 10 0 BEAEMN C[C@H]1CCCC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000062182841 177076363 /nfs/dbraw/zinc/07/63/63/177076363.db2.gz JYURMLPKIJNKIG-JTQLQIEISA-N 0 1 234.299 2.154 10 0 BEAEMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(CN)no1 ZINC000052546782 177080337 /nfs/dbraw/zinc/08/03/37/177080337.db2.gz PAPRFCMAHHTBNA-GWCFXTLKSA-N 0 1 237.347 2.144 10 0 BEAEMN C[C@H]1CCC[C@@H]([N@@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491634 177120854 /nfs/dbraw/zinc/12/08/54/177120854.db2.gz ONCPVNNTQCZBQF-VHSXEESVSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H]1CCC[C@@](N)(c2noc(C(F)(F)F)n2)C1 ZINC000036764992 177127824 /nfs/dbraw/zinc/12/78/24/177127824.db2.gz FSRANNAZECSADK-RCOVLWMOSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1CC[C@H](O)c1ccccc1 ZINC000290540461 177298042 /nfs/dbraw/zinc/29/80/42/177298042.db2.gz ZVTIDFMWJBKAJM-GUTXKFCHSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@H]1C[C@@H](c2cccs2)C[N@H+]1CC(=O)[O-] ZINC000309312527 177339206 /nfs/dbraw/zinc/33/92/06/177339206.db2.gz CHRHGGSUWUDPGF-DTWKUNHWSA-N 0 1 225.313 2.011 10 0 BEAEMN C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000104425456 177379107 /nfs/dbraw/zinc/37/91/07/177379107.db2.gz CFSGGAHSKQEESH-QNWJLWSRSA-N 0 1 239.359 2.464 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C[C@H]1C ZINC000385406218 487785169 /nfs/dbraw/zinc/78/51/69/487785169.db2.gz PXGAMZRNNIWTMH-GHMZBOCLSA-N 0 1 248.326 2.258 10 0 BEAEMN Cc1nc2c(n1C[C@H](O)C(C)(C)C)CCCC2 ZINC000216922515 323092240 /nfs/dbraw/zinc/09/22/40/323092240.db2.gz RORBJGQDMXTCFB-ZDUSSCGKSA-N 0 1 236.359 2.477 10 0 BEAEMN CCOC[C@H](C)NCc1nc2ccccc2n1C ZINC000111235343 323157387 /nfs/dbraw/zinc/15/73/87/323157387.db2.gz KEHLBJYGTHHOIJ-NSHDSACASA-N 0 1 247.342 2.088 10 0 BEAEMN CC(C)[C@@H](O)CCN[C@@H](C)c1cscn1 ZINC000127871646 324792835 /nfs/dbraw/zinc/79/28/35/324792835.db2.gz LYLQUUNWQQZZMP-ONGXEEELSA-N 0 1 228.361 2.201 10 0 BEAEMN CC(C)c1nc2c(n1C)CCN(CC1CC1)C2 ZINC000156255861 326225232 /nfs/dbraw/zinc/22/52/32/326225232.db2.gz RGLAUJPKUIDCMX-UHFFFAOYSA-N 0 1 233.359 2.312 10 0 BEAEMN COC[C@@H](C)NCc1cc(OC)ccc1Cl ZINC000309663242 487999775 /nfs/dbraw/zinc/99/97/75/487999775.db2.gz SFBBTOZZVCCUCJ-SECBINFHSA-N 0 1 243.734 2.473 10 0 BEAEMN CC[C@@H](C)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000300810366 487536421 /nfs/dbraw/zinc/53/64/21/487536421.db2.gz YBNLMXZQIYDFEC-SECBINFHSA-N 0 1 222.288 2.010 10 0 BEAEMN CC[C@H](C)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000300810367 487536777 /nfs/dbraw/zinc/53/67/77/487536777.db2.gz YBNLMXZQIYDFEC-VIFPVBQESA-N 0 1 222.288 2.010 10 0 BEAEMN C[C@@H](NC(=O)CN1CCC(C)CC1)C(C)(C)C ZINC000137527703 488176918 /nfs/dbraw/zinc/17/69/18/488176918.db2.gz RVAYWHXSZCDICD-GFCCVEGCSA-N 0 1 240.391 2.269 10 0 BEAEMN Cc1cnc([C@H](C)N[C@@H]2CCCOC2)s1 ZINC000125268624 490425756 /nfs/dbraw/zinc/42/57/56/490425756.db2.gz KLIXCYGGAOYKLW-VHSXEESVSA-N 0 1 226.345 2.281 10 0 BEAEMN Cc1cnc([C@@H](C)N[C@H]2CCCOC2)s1 ZINC000125268847 490426048 /nfs/dbraw/zinc/42/60/48/490426048.db2.gz KLIXCYGGAOYKLW-ZJUUUORDSA-N 0 1 226.345 2.281 10 0 BEAEMN C[C@H]1CCCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000652442039 491085162 /nfs/dbraw/zinc/08/51/62/491085162.db2.gz DBECRZOFQLDYHO-NSHDSACASA-N 0 1 248.326 2.402 10 0 BEAEMN CCCCNCc1nc([C@@H](C)CC)no1 ZINC000057340844 520693164 /nfs/dbraw/zinc/69/31/64/520693164.db2.gz ZKADPXOKTUGHMN-VIFPVBQESA-N 0 1 211.309 2.473 10 0 BEAEMN O=c1[nH]ccc2cc(O)c(Br)cc12 ZINC000261507703 526337772 /nfs/dbraw/zinc/33/77/72/526337772.db2.gz LKPAKICQWJTCHK-UHFFFAOYSA-N 0 1 240.056 2.409 10 0 BEAEMN Cc1nc(CN)sc1-c1cccc(N)c1 ZINC000669381138 566424494 /nfs/dbraw/zinc/42/44/94/566424494.db2.gz ZCINHNKVLWQNNC-UHFFFAOYSA-N 0 1 219.313 2.159 10 0 BEAEMN C[C@H](C(=O)[C@H]1CC1(C)C)C(=O)C(C)(F)F ZINC000397573380 583102234 /nfs/dbraw/zinc/10/22/34/583102234.db2.gz FLEDBZXCPZHXTL-RNFRBKRXSA-N 0 1 218.243 2.462 10 0 BEAEMN Cc1nc(C(=O)C(C)(C)C)sc1CN ZINC000757124036 582499490 /nfs/dbraw/zinc/49/94/90/582499490.db2.gz NMEPFHHYHXJVAN-UHFFFAOYSA-N 0 1 212.318 2.139 10 0 BEAEMN CC1(C)CCC[C@@]2(CC1)NC1(COC1)CCO2 ZINC000757144779 582525537 /nfs/dbraw/zinc/52/55/37/582525537.db2.gz GPXAMKQXTYZUKW-CQSZACIVSA-N 0 1 239.359 2.452 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2ccc(C)cc2C)[C@H](C(=O)[O-])C1 ZINC000757189061 582555416 /nfs/dbraw/zinc/55/54/16/582555416.db2.gz IXTARTWRGPZKOI-UONOGXRCSA-N 0 1 247.338 2.423 10 0 BEAEMN Cc1sccc1[C@@H]1NCCc2nc[nH]c21 ZINC000400593845 582584359 /nfs/dbraw/zinc/58/43/59/582584359.db2.gz ZDCWMQKOFPFOFT-JTQLQIEISA-N 0 1 219.313 2.015 10 0 BEAEMN Cc1cn2c(n1)N[C@H](c1nccs1)CC2 ZINC000236044413 582637104 /nfs/dbraw/zinc/63/71/04/582637104.db2.gz UXDMYSQAJLZXGP-QMMMGPOBSA-N 0 1 220.301 2.205 10 0 BEAEMN N[C@@H](Cc1cccc(Cl)c1)c1ncccn1 ZINC000037467202 582674929 /nfs/dbraw/zinc/67/49/29/582674929.db2.gz WHMOCOODBJESGE-NSHDSACASA-N 0 1 233.702 2.373 10 0 BEAEMN C[C@H](C(=O)C(F)F)C(=O)[C@H]1CC1(C)C ZINC000397584168 583102628 /nfs/dbraw/zinc/10/26/28/583102628.db2.gz IKUFVYIDDLLKJX-NTSWFWBYSA-N 0 1 204.216 2.072 10 0 BEAEMN Cc1c([C@H]2NCCc3sccc32)cnn1C ZINC000397261269 583099623 /nfs/dbraw/zinc/09/96/23/583099623.db2.gz ZJAQDBLAXZFDNH-LBPRGKRZSA-N 0 1 233.340 2.025 10 0 BEAEMN C[C@H](C(=O)[C@@H]1CC1(C)C)C(=O)C(C)(F)F ZINC000397573381 583102372 /nfs/dbraw/zinc/10/23/72/583102372.db2.gz FLEDBZXCPZHXTL-RQJHMYQMSA-N 0 1 218.243 2.462 10 0 BEAEMN CC(C(=O)C(C)(F)F)=C(O)C1CCC1 ZINC000323860188 585029000 /nfs/dbraw/zinc/02/90/00/585029000.db2.gz QGHVZAYFZZIWAW-ZCFIWIBFSA-N 0 1 204.216 2.216 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2cc(C)cc(C)c2)C1 ZINC000757185876 586434227 /nfs/dbraw/zinc/43/42/27/586434227.db2.gz DFPVVCGUNFBXKG-KBPBESRZSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2cccc(C)c2)C1 ZINC000757186235 586434751 /nfs/dbraw/zinc/43/47/51/586434751.db2.gz GALFQMKOWLYPAI-CHWSQXEVSA-N 0 1 233.311 2.115 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C)cc2C)C1 ZINC000757189037 586435054 /nfs/dbraw/zinc/43/50/54/586435054.db2.gz IXTARTWRGPZKOI-KBPBESRZSA-N 0 1 247.338 2.423 10 0 BEAEMN CCc1ccccc1[C@H]1C[N@@H+](CC)C[C@@H]1C(=O)[O-] ZINC000757189818 586435653 /nfs/dbraw/zinc/43/56/53/586435653.db2.gz KXTOALSYWLWJQZ-KGLIPLIRSA-N 0 1 247.338 2.369 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2cccc(C)c2C)C1 ZINC000757194149 586436398 /nfs/dbraw/zinc/43/63/98/586436398.db2.gz YPUVFINYPPGDAY-ZIAGYGMSSA-N 0 1 247.338 2.423 10 0 BEAEMN COc1ccc(-c2nccc(N)c2N)c(F)c1 ZINC000757572990 586463027 /nfs/dbraw/zinc/46/30/27/586463027.db2.gz WPSXWVIYGMSPDW-UHFFFAOYSA-N 0 1 233.246 2.061 10 0 BEAEMN CC[C@H]1CC[C@H](C)N1c1cc(C)nc(N)n1 ZINC000124472501 590019530 /nfs/dbraw/zinc/01/95/30/590019530.db2.gz XLGYOCOBNYYNJR-UWVGGRQHSA-N 0 1 220.320 2.135 10 0 BEAEMN c1cc(CNc2ccc3nn[nH]c3c2)co1 ZINC000125146102 590126075 /nfs/dbraw/zinc/12/60/75/590126075.db2.gz GATKMMXQXULFDS-UHFFFAOYSA-N 0 1 214.228 2.163 10 0 BEAEMN c1cc(CNc2ccc3n[nH]nc3c2)co1 ZINC000125146102 590126077 /nfs/dbraw/zinc/12/60/77/590126077.db2.gz GATKMMXQXULFDS-UHFFFAOYSA-N 0 1 214.228 2.163 10 0 BEAEMN Cc1nnc([C@@H](C)N[C@@H]2CCCSC2)s1 ZINC000135009690 591972224 /nfs/dbraw/zinc/97/22/24/591972224.db2.gz LAVGHVCSDPQBLS-VXNVDRBHSA-N 0 1 243.401 2.393 10 0 BEAEMN Cc1nnc([C@H](C)N[C@@H]2CCCSC2)s1 ZINC000135009711 591972551 /nfs/dbraw/zinc/97/25/51/591972551.db2.gz LAVGHVCSDPQBLS-IONNQARKSA-N 0 1 243.401 2.393 10 0 BEAEMN CC(=O)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000082644574 631409290 /nfs/dbraw/zinc/40/92/90/631409290.db2.gz AFHZOGSYMSTZRH-RXNUUUNCSA-N 0 1 201.697 2.040 10 0 BEAEMN Cc1nc([C@H](C)N[C@@H](C)[C@@H](C)O)c(C)s1 ZINC000309030958 631805329 /nfs/dbraw/zinc/80/53/29/631805329.db2.gz DTAPHUPRVGMBSM-BIIVOSGPSA-N 0 1 228.361 2.180 10 0 BEAEMN Cc1nc([C@H](C)N[C@H](C)[C@@H](C)O)c(C)s1 ZINC000309030961 632620368 /nfs/dbraw/zinc/62/03/68/632620368.db2.gz DTAPHUPRVGMBSM-GJMOJQLCSA-N 0 1 228.361 2.180 10 0 BEAEMN ClC1(Cl)C[C@@H]1CNCc1ccccn1 ZINC000308716982 633806891 /nfs/dbraw/zinc/80/68/91/633806891.db2.gz BSAZWRNKOKKRCT-MRVPVSSYSA-N 0 1 231.126 2.365 10 0 BEAEMN CC(C)Cc1nc([C@@H](N)C(C)(C)C)n(C)n1 ZINC000054699050 640320764 /nfs/dbraw/zinc/32/07/64/640320764.db2.gz OAFYTRXEBZZOIY-SNVBAGLBSA-N 0 1 224.352 2.060 10 0 BEAEMN Cc1cnc([C@@H](C)NCC2(O)CCCCC2)o1 ZINC000230647772 641076266 /nfs/dbraw/zinc/07/62/66/641076266.db2.gz RNXWQUAARWYABO-LLVKDONJSA-N 0 1 238.331 2.329 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(C)C)C1 ZINC000062877544 641104967 /nfs/dbraw/zinc/10/49/67/641104967.db2.gz XETVGBANRZQJNN-GFCCVEGCSA-N 0 1 213.321 2.219 10 0 BEAEMN CC[C@@H]1OCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000233941858 642712428 /nfs/dbraw/zinc/71/24/28/642712428.db2.gz ZJTDVKVPTZFPTN-STQMWFEESA-N 0 1 249.310 2.050 10 0 BEAEMN FC(F)[C@@H]1CCNc2nc3c(n21)CCCC3 ZINC000236126441 643595668 /nfs/dbraw/zinc/59/56/68/643595668.db2.gz TZCUJNZLNPNXFO-VIFPVBQESA-N 0 1 227.258 2.384 10 0 BEAEMN COc1ccc(CN(C)CCC(C)=O)cc1F ZINC000048298847 643596719 /nfs/dbraw/zinc/59/67/19/643596719.db2.gz UGEQSHKVBWSNSR-UHFFFAOYSA-N 0 1 239.290 2.245 10 0 BEAEMN CCc1nc(CN[C@@H]2CCC[C@@H]2OC)cs1 ZINC000049948600 643626221 /nfs/dbraw/zinc/62/62/21/643626221.db2.gz KCBJUIAGSXECAA-MNOVXSKESA-N 0 1 240.372 2.363 10 0 BEAEMN C[C@H](NCc1cccnc1Cl)[C@@H]1CCCO1 ZINC000105418367 645314914 /nfs/dbraw/zinc/31/49/14/645314914.db2.gz HRZVXAPWEZFSCN-ONGXEEELSA-N 0 1 240.734 2.392 10 0 BEAEMN C[C@H](NCc1cccnc1Cl)[C@H]1CCCO1 ZINC000105418373 645314951 /nfs/dbraw/zinc/31/49/51/645314951.db2.gz HRZVXAPWEZFSCN-GXSJLCMTSA-N 0 1 240.734 2.392 10 0 BEAEMN Cc1cnc(CNCc2cccnc2)c(C)c1 ZINC000724022678 711556995 /nfs/dbraw/zinc/55/69/95/711556995.db2.gz LIXNSDHOQBDLRW-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC[C@H]2C)n1 ZINC000700465618 711996112 /nfs/dbraw/zinc/99/61/12/711996112.db2.gz FGBUDKLGDKCGBF-KOLCDFICSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000700463068 711996156 /nfs/dbraw/zinc/99/61/56/711996156.db2.gz RIQKXSQVBYTFLG-HOSYDEDBSA-N 0 1 249.358 2.405 10 0 BEAEMN CC[N@@H+](C[C@@H](C)C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000707952705 712174132 /nfs/dbraw/zinc/17/41/32/712174132.db2.gz XMQUSJNOLMRGTL-ZJUUUORDSA-N 0 1 215.337 2.464 10 0 BEAEMN C[C@H](N[C@H]1C[C@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921438 712542624 /nfs/dbraw/zinc/54/26/24/712542624.db2.gz LHIGZQLOMHSYLX-DRZSPHRISA-N 0 1 242.326 2.022 10 0 BEAEMN C[C@H](N[C@H]1C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921440 712542659 /nfs/dbraw/zinc/54/26/59/712542659.db2.gz LHIGZQLOMHSYLX-UHTWSYAYSA-N 0 1 242.326 2.022 10 0 BEAEMN c1nsnc1CNC1(C2CCC2)CCC1 ZINC000717884258 712731458 /nfs/dbraw/zinc/73/14/58/712731458.db2.gz CLTPKBJPEHVVCE-UHFFFAOYSA-N 0 1 223.345 2.351 10 0 BEAEMN C[C@H](N[C@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595223 712856646 /nfs/dbraw/zinc/85/66/46/712856646.db2.gz JUIUYZXMRBPONE-RYUDHWBXSA-N 0 1 234.347 2.355 10 0 BEAEMN CC[N@@H+](CCOC1CCCCC1)[C@@H](C)C(=O)[O-] ZINC000701322673 968985531 /nfs/dbraw/zinc/98/55/31/968985531.db2.gz KVUAXYFSXAZMOS-NSHDSACASA-N 0 1 243.347 2.131 10 0 BEAEMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706323506 977312879 /nfs/dbraw/zinc/31/28/79/977312879.db2.gz CLFMPFDAGQQYOI-RKDXNWHRSA-N 0 1 235.274 2.217 10 0 BEAEMN O=C([O-])c1occc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000706325596 977313053 /nfs/dbraw/zinc/31/30/53/977313053.db2.gz LNKQGGOIGQGGEB-QMMMGPOBSA-N 0 1 245.225 2.065 10 0 BEAEMN CC(C)C1(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000687530407 954617136 /nfs/dbraw/zinc/61/71/36/954617136.db2.gz VHALDBVOQOGSNH-VXGBXAGGSA-N 0 1 239.359 2.465 10 0 BEAEMN CC(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000693453605 954755021 /nfs/dbraw/zinc/75/50/21/954755021.db2.gz ZEBMYYWSSAECEF-SRVKXCTJSA-N 0 1 227.348 2.464 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000694538235 954778087 /nfs/dbraw/zinc/77/80/87/954778087.db2.gz IQNOFAGJCXIVIQ-GHMZBOCLSA-N 0 1 213.321 2.218 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)C)C1 ZINC000694538238 954778824 /nfs/dbraw/zinc/77/88/24/954778824.db2.gz IQNOFAGJCXIVIQ-QWRGUYRKSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000706732167 954955605 /nfs/dbraw/zinc/95/56/05/954955605.db2.gz KGBAOCSFUOYHQD-UWVGGRQHSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706735707 954955078 /nfs/dbraw/zinc/95/50/78/954955078.db2.gz UGZDEXFEVULWKG-ZJUUUORDSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1C ZINC000706917554 954960597 /nfs/dbraw/zinc/96/05/97/954960597.db2.gz QSZWBELAISXFPO-SFYZADRCSA-N 0 1 225.313 2.287 10 0 BEAEMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708533930 955001144 /nfs/dbraw/zinc/00/11/44/955001144.db2.gz YTORCKJTTQYYJZ-ZJUUUORDSA-N 0 1 213.321 2.218 10 0 BEAEMN CC(C)SCC[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000710527943 955027885 /nfs/dbraw/zinc/02/78/85/955027885.db2.gz PRZLKEVGJYZNHC-GHMZBOCLSA-N 0 1 245.388 2.171 10 0 BEAEMN CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000710540439 955029398 /nfs/dbraw/zinc/02/93/98/955029398.db2.gz XWDYUNVRQKJVGG-DCAQKATOSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccns1 ZINC000716012886 955124886 /nfs/dbraw/zinc/12/48/86/955124886.db2.gz AGZYXUIFETVMNN-ZETCQYMHSA-N 0 1 249.295 2.409 10 0 BEAEMN C[C@]1(CNc2cc(C(=O)[O-])cc[nH+]2)CC1(F)F ZINC000689312200 976249218 /nfs/dbraw/zinc/24/92/18/976249218.db2.gz NBQWHUYWZWSLFR-SNVBAGLBSA-N 0 1 242.225 2.237 10 0 BEAEMN CC1CC(C[N@@H+](C)Cc2ccc(C(=O)[O-])cn2)C1 ZINC000691078707 976347326 /nfs/dbraw/zinc/34/73/26/976347326.db2.gz KWPACQOTLRFFMT-UHFFFAOYSA-N 0 1 248.326 2.258 10 0 BEAEMN CC[N@@H+](Cc1ccnc(C)c1)C(C)(C)C(=O)[O-] ZINC000705836023 977296566 /nfs/dbraw/zinc/29/65/66/977296566.db2.gz LCPYWZAIUYDYKK-UHFFFAOYSA-N 0 1 236.315 2.075 10 0 BEAEMN O=C([O-])c1cc(C[NH+]2CC(C(F)F)C2)cs1 ZINC000706442331 977321451 /nfs/dbraw/zinc/32/14/51/977321451.db2.gz ABPPTYISTBQIDU-UHFFFAOYSA-N 0 1 247.266 2.143 10 0 BEAEMN CC[N@@H+](Cc1oncc1C(=O)[O-])[C@H](C)C(C)C ZINC000706665815 977358373 /nfs/dbraw/zinc/35/83/73/977358373.db2.gz AHRDSKDGVHVXKO-SECBINFHSA-N 0 1 240.303 2.239 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000706743104 977360649 /nfs/dbraw/zinc/36/06/49/977360649.db2.gz MEAVZWFULNJZIL-WDEREUQCSA-N 0 1 249.310 2.104 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000707301666 977381557 /nfs/dbraw/zinc/38/15/57/977381557.db2.gz FZCLSYXELDBTBV-YAEJEKNGSA-N 0 1 243.372 2.091 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000707301662 977381944 /nfs/dbraw/zinc/38/19/44/977381944.db2.gz FZCLSYXELDBTBV-CDCCAWJDSA-N 0 1 243.372 2.091 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708821159 977444562 /nfs/dbraw/zinc/44/45/62/977444562.db2.gz DEHYNMNPXUDTLA-NEPJUHHUSA-N 0 1 225.332 2.362 10 0 BEAEMN CC[C@@H](C)C[N@@H+](CC)CC1(C(=O)[O-])CC1 ZINC000709492477 977460522 /nfs/dbraw/zinc/46/05/22/977460522.db2.gz AGXYOCWWTQGIHN-SNVBAGLBSA-N 0 1 213.321 2.219 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+]1CCC=C(F)C1 ZINC000710052011 977477517 /nfs/dbraw/zinc/47/75/17/977477517.db2.gz BJPZYJPMZUUZLH-SNVBAGLBSA-N 0 1 215.268 2.045 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC=C(F)C1 ZINC000710052011 977477522 /nfs/dbraw/zinc/47/75/22/977477522.db2.gz BJPZYJPMZUUZLH-SNVBAGLBSA-N 0 1 215.268 2.045 10 0 BEAEMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000711059884 977528146 /nfs/dbraw/zinc/52/81/46/977528146.db2.gz MCWPYQOABXVWSL-MWLCHTKSSA-N 0 1 249.285 2.366 10 0 BEAEMN C=C/C=C\CC[N@H+](CC)C(C)(C)C(=O)[O-] ZINC000713700450 977656952 /nfs/dbraw/zinc/65/69/52/977656952.db2.gz BWXRUOGENAMDTG-FPLPWBNLSA-N 0 1 211.305 2.304 10 0 BEAEMN Cc1cn(Cc2ccc(C(=O)[O-])c(F)c2)c(C)[nH+]1 ZINC000714427253 977672363 /nfs/dbraw/zinc/67/23/63/977672363.db2.gz GPYPLFDORHASKS-UHFFFAOYSA-N 0 1 248.257 2.386 10 0 BEAEMN Cc1coc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000718057308 977937639 /nfs/dbraw/zinc/93/76/39/977937639.db2.gz ADJAOQPSFBMCAJ-UHFFFAOYSA-N 0 1 237.299 2.417 10 0 BEAEMN C[N@H+](Cc1ccoc1)Cc1cncc(C(=O)[O-])c1 ZINC000721542156 978118540 /nfs/dbraw/zinc/11/85/40/978118540.db2.gz SBGMQOQHVOOIJC-UHFFFAOYSA-N 0 1 246.266 2.005 10 0 BEAEMN C[N@@H+](Cc1ccoc1)Cc1cncc(C(=O)[O-])c1 ZINC000721542156 978118545 /nfs/dbraw/zinc/11/85/45/978118545.db2.gz SBGMQOQHVOOIJC-UHFFFAOYSA-N 0 1 246.266 2.005 10 0 BEAEMN C[C@H](C1CC1)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542160 978118704 /nfs/dbraw/zinc/11/87/04/978118704.db2.gz SCKVLLRCFWUZPD-SECBINFHSA-N 0 1 234.299 2.010 10 0 BEAEMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721583596 978119695 /nfs/dbraw/zinc/11/96/95/978119695.db2.gz GEKXDHUMMPEVFJ-VHSXEESVSA-N 0 1 234.299 2.010 10 0 BEAEMN CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693334 978164547 /nfs/dbraw/zinc/16/45/47/978164547.db2.gz NOLQVVXGGUSFPH-WHOHXGKFSA-N 0 1 227.348 2.464 10 0 BEAEMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000723140473 978172036 /nfs/dbraw/zinc/17/20/36/978172036.db2.gz RXOJFQWJOUAXOF-CZXHOFHRSA-N 0 1 237.343 2.362 10 0 BEAEMN CCCC(=O)[C@H](N)[C@@H](C)OCc1ccccc1 ZINC000685961358 538907995 /nfs/dbraw/zinc/90/79/95/538907995.db2.gz HDHRTZUEDDHLJU-BXUZGUMPSA-N 0 1 235.327 2.288 10 0 BEAEMN CC[C@H](C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000685961395 538908538 /nfs/dbraw/zinc/90/85/38/538908538.db2.gz HPZTZJKEQFPDGX-GXTWGEPZSA-N 0 1 248.370 2.061 10 0 BEAEMN FC1(F)CCc2n[nH]c(Br)c2C1 ZINC000685952342 538896436 /nfs/dbraw/zinc/89/64/36/538896436.db2.gz GSMWIQDBSAGUME-UHFFFAOYSA-N 0 1 237.047 2.296 10 0 BEAEMN Cc1nc(CNC[C@@H]2CCCC[C@@H]2O)cs1 ZINC000082991339 349440549 /nfs/dbraw/zinc/44/05/49/349440549.db2.gz OZXQRLAVYLVAJN-JQWIXIFHSA-N 0 1 240.372 2.092 10 0 BEAEMN C[C@@H]1NC(=S)Oc2cn(CC(C)(C)C)nc21 ZINC000685965400 538911881 /nfs/dbraw/zinc/91/18/81/538911881.db2.gz CJIXJTBNWUDVBO-ZETCQYMHSA-N 0 1 239.344 2.257 10 0 BEAEMN Cc1cc(CN2C[C@H](C)O[C@@H](C)C2)ccc1N ZINC000020071824 178007861 /nfs/dbraw/zinc/00/78/61/178007861.db2.gz CCZRSFOJHBJTGY-RYUDHWBXSA-N 0 1 234.343 2.186 10 0 BEAEMN CCCC[N@H+]1CCC[C@@H](CC(=O)[O-])CC1 ZINC000390116666 398157217 /nfs/dbraw/zinc/15/72/17/398157217.db2.gz CQZZGRQNNYFXFB-LLVKDONJSA-N 0 1 213.321 2.363 10 0 BEAEMN C[C@H](N)C(=O)Sc1c[nH]c2ccccc12 ZINC000071789504 398161728 /nfs/dbraw/zinc/16/17/28/398161728.db2.gz NOFAGVCCOGAOOT-ZETCQYMHSA-N 0 1 220.297 2.134 10 0 BEAEMN CCC[C@@H]1C[C@H]1N[C@@H]1CCn2ccnc21 ZINC000293904554 398205860 /nfs/dbraw/zinc/20/58/60/398205860.db2.gz HNOGKCXAHBCRFF-GMTAPVOTSA-N 0 1 205.305 2.106 10 0 BEAEMN Cc1cc(Sc2nccc(=O)[n-]2)ccc1C[NH3+] ZINC000104295813 178219353 /nfs/dbraw/zinc/21/93/53/178219353.db2.gz BSGHJVNKWVCYQE-UHFFFAOYSA-N 0 1 247.323 2.101 10 0 BEAEMN Cc1cc([C@H](C)NC[C@H](O)C(C)(C)C)no1 ZINC000336729025 178249780 /nfs/dbraw/zinc/24/97/80/178249780.db2.gz CWYAZLOSGFIYCG-ONGXEEELSA-N 0 1 226.320 2.041 10 0 BEAEMN Cc1ccc(-c2cc(CN)no2)c(C)c1 ZINC000082531644 178320605 /nfs/dbraw/zinc/32/06/05/178320605.db2.gz QKEFVNKYTQWLKN-UHFFFAOYSA-N 0 1 202.257 2.417 10 0 BEAEMN CCC(CC)[N@@H+](CCOC)[C@@H](CC)CC(=O)[O-] ZINC000062755688 168373704 /nfs/dbraw/zinc/37/37/04/168373704.db2.gz ZFDHDBSKVWMQNS-LBPRGKRZSA-N 0 1 245.363 2.377 10 0 BEAEMN CCC(CC)[N@@H+](CCOC)[C@@H](C(=O)[O-])C(C)C ZINC000042680288 168374012 /nfs/dbraw/zinc/37/40/12/168374012.db2.gz VUADBDGOSKWOGE-GFCCVEGCSA-N 0 1 245.363 2.233 10 0 BEAEMN Cc1ccc(C(=O)C2(N)CCCC2)cc1 ZINC000011630597 178371939 /nfs/dbraw/zinc/37/19/39/178371939.db2.gz YNMAMVREIKPSRJ-UHFFFAOYSA-N 0 1 203.285 2.449 10 0 BEAEMN Cc1ccnc(NCC[C@@H]2CCCO2)c1 ZINC000043561565 538982106 /nfs/dbraw/zinc/98/21/06/538982106.db2.gz IJFPKFBBWXOVDT-NSHDSACASA-N 0 1 206.289 2.371 10 0 BEAEMN CCC(CC)[C@@H](C)n1nnnc1CNC(C)C ZINC000104419563 168399819 /nfs/dbraw/zinc/39/98/19/168399819.db2.gz AXZYPUBXWYYOPL-SNVBAGLBSA-N 0 1 239.367 2.168 10 0 BEAEMN CCS[C@@H]1CCC[C@H]1N1CCC(=O)CC1 ZINC000233820529 342887043 /nfs/dbraw/zinc/88/70/43/342887043.db2.gz UEDMDHHFDWIXRS-VXGBXAGGSA-N 0 1 227.373 2.326 10 0 BEAEMN C[C@H]1CN(c2ccccc2C=O)C[C@H](C)N1C ZINC000116974420 342940217 /nfs/dbraw/zinc/94/02/17/342940217.db2.gz CUDTXLRAKIIRLG-RYUDHWBXSA-N 0 1 232.327 2.028 10 0 BEAEMN c1snnc1CNCCC1CCCC1 ZINC000037739697 342946877 /nfs/dbraw/zinc/94/68/77/342946877.db2.gz WXQIUASBRNXMGH-UHFFFAOYSA-N 0 1 211.334 2.208 10 0 BEAEMN CC1(C)SC(=O)N(c2ccccc2)[C@@H]1N ZINC000026479086 192055994 /nfs/dbraw/zinc/05/59/94/192055994.db2.gz QHMVSMICSGVUDA-VIFPVBQESA-N 0 1 222.313 2.423 10 0 BEAEMN CCNc1c(N)cnc2c(C)cc(F)cc21 ZINC000584882500 343084691 /nfs/dbraw/zinc/08/46/91/343084691.db2.gz IMJZKZAWSJMIFY-UHFFFAOYSA-N 0 1 219.263 2.118 10 0 BEAEMN Nc1c2ccc(F)cc2nc2c1[C@@H](O)CCC2 ZINC000014946467 343135664 /nfs/dbraw/zinc/13/56/64/343135664.db2.gz GHPCZOLZFWUXCH-NSHDSACASA-N 0 1 232.258 2.326 10 0 BEAEMN O=C1NC(=O)/C(=C/c2cccc3ccccc23)N1 ZINC000002566884 187246447 /nfs/dbraw/zinc/24/64/47/187246447.db2.gz PRXSTEDJAPTRPG-WQLSENKSSA-N 0 1 238.246 2.020 10 0 BEAEMN CC(C)[C@H]([NH3+])c1nc2ccc(F)cc2[nH]1 ZINC000037439137 187252090 /nfs/dbraw/zinc/25/20/90/187252090.db2.gz QNSUHQZCJSIWOE-JTQLQIEISA-N 0 1 207.252 2.358 10 0 BEAEMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000035792878 343304477 /nfs/dbraw/zinc/30/44/77/343304477.db2.gz COPKRBMZZPNQJM-NKWVEPMBSA-N 0 1 244.697 2.004 10 0 BEAEMN CC(C)(C)c1cc(N)n(-c2ccncc2)n1 ZINC000035779592 343304584 /nfs/dbraw/zinc/30/45/84/343304584.db2.gz JFKPRGAXIHXMIM-UHFFFAOYSA-N 0 1 216.288 2.147 10 0 BEAEMN COC(=O)c1nc2c(cccc2C(F)(F)F)[nH]1 ZINC000038276753 343373120 /nfs/dbraw/zinc/37/31/20/343373120.db2.gz MKSVCJPDPLLXFF-UHFFFAOYSA-N 0 1 244.172 2.368 10 0 BEAEMN COC(CN[C@@H](C)c1ccc(F)c(F)c1)OC ZINC000037566549 343348554 /nfs/dbraw/zinc/34/85/54/343348554.db2.gz VHGQZBMACGVBNL-QMMMGPOBSA-N 0 1 245.269 2.234 10 0 BEAEMN CC(C)(C)[C@H](N)c1nnc2n1CCCCC2 ZINC000035411322 187258308 /nfs/dbraw/zinc/25/83/08/187258308.db2.gz XGTIQTDQPWIZAS-SNVBAGLBSA-N 0 1 222.336 2.050 10 0 BEAEMN CSc1n[nH]c2ncnc(NC(C)(C)C)c12 ZINC000041528568 343421368 /nfs/dbraw/zinc/42/13/68/343421368.db2.gz LTIQOIQBJMROKP-UHFFFAOYSA-N 0 1 237.332 2.285 10 0 BEAEMN Fc1cccc2c1[C@H](N[C@@H]1CCSC1)CO2 ZINC000374685641 136356770 /nfs/dbraw/zinc/35/67/70/136356770.db2.gz ZFGPJFQIAVANGF-PSASIEDQSA-N 0 1 239.315 2.354 10 0 BEAEMN CN1C[C@H](c2cnc[nH]2)Nc2ccccc21 ZINC000616683009 343536524 /nfs/dbraw/zinc/53/65/24/343536524.db2.gz NFEUBFODSHYHBN-LLVKDONJSA-N 0 1 214.272 2.013 10 0 BEAEMN Cc1cn2c(n1)NCC[C@@H]2[C@@H]1CC[C@H](C)O1 ZINC000300017265 537802879 /nfs/dbraw/zinc/80/28/79/537802879.db2.gz QYXWRBVLRMVIJG-AXFHLTTASA-N 0 1 221.304 2.116 10 0 BEAEMN O=C([O-])CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000005813775 343771901 /nfs/dbraw/zinc/77/19/01/343771901.db2.gz JNYIZIRJPHQNSU-LBPRGKRZSA-N 0 1 234.299 2.083 10 0 BEAEMN N#Cc1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000039323540 343783887 /nfs/dbraw/zinc/78/38/87/343783887.db2.gz VQIJTHMYZMBWNX-SECBINFHSA-N 0 1 230.654 2.365 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000409427152 343799928 /nfs/dbraw/zinc/79/99/28/343799928.db2.gz HREFKYSMHFBDLD-NWDGAFQWSA-N 0 1 234.299 2.082 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409433141 343826462 /nfs/dbraw/zinc/82/64/62/343826462.db2.gz XOKWTEVRYDTKAW-OPRDCNLKSA-N 0 1 247.285 2.217 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409433140 343826579 /nfs/dbraw/zinc/82/65/79/343826579.db2.gz XOKWTEVRYDTKAW-LPEHRKFASA-N 0 1 247.285 2.217 10 0 BEAEMN CC(C)Cc1n[nH]c(C(C)C)c1CCO ZINC000409439133 343846411 /nfs/dbraw/zinc/84/64/11/343846411.db2.gz HFYLXINZOSNKCX-UHFFFAOYSA-N 0 1 210.321 2.266 10 0 BEAEMN C[C@@](Cc1ccccc1)(C(=N)NO)n1cccc1 ZINC000409439748 343848371 /nfs/dbraw/zinc/84/83/71/343848371.db2.gz IEAAYRBIUTXEQE-CQSZACIVSA-N 0 1 243.310 2.402 10 0 BEAEMN CCc1n[nH]c(C2CCC2)c1CCC(=O)OC ZINC000409442421 343858387 /nfs/dbraw/zinc/85/83/87/343858387.db2.gz ZSWMQODXSWPUBV-UHFFFAOYSA-N 0 1 236.315 2.345 10 0 BEAEMN O=Cc1c(C2CCOCC2)n[nH]c1C(F)(F)F ZINC000409441917 343861751 /nfs/dbraw/zinc/86/17/51/343861751.db2.gz VAWJPAQFQGRUMA-UHFFFAOYSA-N 0 1 248.204 2.135 10 0 BEAEMN CC(C)(C)Oc1cc(N)ncc1OC1CC1 ZINC000095727175 187287615 /nfs/dbraw/zinc/28/76/15/187287615.db2.gz UXIJAEJTGULZJS-UHFFFAOYSA-N 0 1 222.288 2.382 10 0 BEAEMN CC[C@@H](C)c1nnc([C@H](N)C(C)(C)C)[nH]1 ZINC000616573875 344186304 /nfs/dbraw/zinc/18/63/04/344186304.db2.gz LURSKXHDOOSSRV-SFYZADRCSA-N 0 1 210.325 2.364 10 0 BEAEMN FC1(Cc2cccc(Br)c2)CNC1 ZINC000158125881 344244113 /nfs/dbraw/zinc/24/41/13/344244113.db2.gz CBVQCGXJSCGPLV-UHFFFAOYSA-N 0 1 244.107 2.303 10 0 BEAEMN C[C@@H]1C[C@H](C)N(Cc2ccc(C=O)o2)C1 ZINC000158062234 344353553 /nfs/dbraw/zinc/35/35/53/344353553.db2.gz RTNCXOAHXBJOAF-ZJUUUORDSA-N 0 1 207.273 2.322 10 0 BEAEMN CCOC(=O)Cc1c(Cl)ccc(C#N)c1O ZINC000396146590 344619961 /nfs/dbraw/zinc/61/99/61/344619961.db2.gz KCGYNWGGHZEJRY-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CCOC(=O)Cc1cc(C#N)c(O)cc1Cl ZINC000396146866 344620517 /nfs/dbraw/zinc/62/05/17/344620517.db2.gz KFVBWEJDRJTBNZ-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CCOC(=O)Cc1ccc(Cl)c(C#N)c1O ZINC000396148969 344622542 /nfs/dbraw/zinc/62/25/42/344622542.db2.gz NVEVHGTVAMTRNL-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CCOc1cccc([C@@H]2NCCS2)c1 ZINC000050522924 344706476 /nfs/dbraw/zinc/70/64/76/344706476.db2.gz JPESHNHMSQLWBW-LLVKDONJSA-N 0 1 209.314 2.420 10 0 BEAEMN Cc1ccc([C@@H]2NCCc3nc[nH]c32)s1 ZINC000400416059 537856859 /nfs/dbraw/zinc/85/68/59/537856859.db2.gz AOGLCFWAAGAWLD-NSHDSACASA-N 0 1 219.313 2.015 10 0 BEAEMN C[C@H]1CCC[N@@H+](C2CCCC2)[C@@H]1C(=O)[O-] ZINC000235643563 344966722 /nfs/dbraw/zinc/96/67/22/344966722.db2.gz HLCSYCPBHPNBHN-ONGXEEELSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1c(O)ccc(C=O)c1Br ZINC000238539200 345072807 /nfs/dbraw/zinc/07/28/07/345072807.db2.gz IZDXAJKNUPVAEN-UHFFFAOYSA-N 0 1 215.046 2.276 10 0 BEAEMN NCc1nccc(OC(F)(F)F)c1Cl ZINC000238611465 345092106 /nfs/dbraw/zinc/09/21/06/345092106.db2.gz DIPQPAHBFOAGSD-UHFFFAOYSA-N 0 1 226.585 2.092 10 0 BEAEMN CCN(CC(=O)N[C@H](C)C(C)(C)C)C1CC1 ZINC000126263914 345112956 /nfs/dbraw/zinc/11/29/56/345112956.db2.gz MFHDSKNMNLAVQP-SNVBAGLBSA-N 0 1 226.364 2.022 10 0 BEAEMN COC(=O)[C@H]1CCC[C@](C)(c2ccccc2)C1=O ZINC000167204510 345144774 /nfs/dbraw/zinc/14/47/74/345144774.db2.gz WDZBBLDSAOBYTD-SWLSCSKDSA-N 0 1 246.306 2.487 10 0 BEAEMN Cc1[nH]n(C)c(=O)c1-c1cc(F)cc(F)c1 ZINC000675054228 537893273 /nfs/dbraw/zinc/89/32/73/537893273.db2.gz ORHQDBMKJMTBHD-UHFFFAOYSA-N 0 1 224.210 2.379 10 0 BEAEMN CN(C)Nc1ncc(Cl)cc1Cl ZINC000148226793 345354298 /nfs/dbraw/zinc/35/42/98/345354298.db2.gz FHQTVEZFTDUCOR-UHFFFAOYSA-N 0 1 206.076 2.277 10 0 BEAEMN C[C@@H](c1ccco1)[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251248911 345491272 /nfs/dbraw/zinc/49/12/72/345491272.db2.gz IICQAJHHVLYTTL-UWVGGRQHSA-N 0 1 223.272 2.280 10 0 BEAEMN CC(C)(C)c1ccc(OC[C@@H]2CN=C(N)O2)cc1 ZINC000034338305 345821546 /nfs/dbraw/zinc/82/15/46/345821546.db2.gz XBAKLHVTBQUKPI-LBPRGKRZSA-N 0 1 248.326 2.076 10 0 BEAEMN CC(C)(C)OC(=O)N1CCCN(C2CC2)CC1 ZINC000166818245 345841682 /nfs/dbraw/zinc/84/16/82/345841682.db2.gz CDMJHIPUPXKDRV-UHFFFAOYSA-N 0 1 240.347 2.092 10 0 BEAEMN CC1(C)CCC([N@H+]2CC[C@H]2C(=O)[O-])CC1 ZINC000215716440 345849580 /nfs/dbraw/zinc/84/95/80/345849580.db2.gz HVHKGCYIWIZUCD-JTQLQIEISA-N 0 1 211.305 2.114 10 0 BEAEMN CCCCN(C)c1cc(N)nc(C2CC2)n1 ZINC000087908849 345940423 /nfs/dbraw/zinc/94/04/23/345940423.db2.gz KIHIKTWURJYZES-UHFFFAOYSA-N 0 1 220.320 2.173 10 0 BEAEMN Cc1ccc(F)cc1-c1nc(=S)o[nH]1 ZINC000061881163 346176601 /nfs/dbraw/zinc/17/66/01/346176601.db2.gz MDWJOWKYSVZHIX-UHFFFAOYSA-N 0 1 210.233 2.473 10 0 BEAEMN O=c1cc(-c2csc(Cl)c2)[nH][nH]1 ZINC000236621538 346263454 /nfs/dbraw/zinc/26/34/54/346263454.db2.gz RVXQXCGZUGHZHM-UHFFFAOYSA-N 0 1 200.650 2.497 10 0 BEAEMN CC[N@@H+](C)Cc1cc(C(=O)[O-])c(F)cc1F ZINC000669379447 537979852 /nfs/dbraw/zinc/97/98/52/537979852.db2.gz BXSGSHGTITYQNY-UHFFFAOYSA-N 0 1 229.226 2.115 10 0 BEAEMN Cc1cccc(CNC2=NC(C)(C)CS2)n1 ZINC000051577194 179087825 /nfs/dbraw/zinc/08/78/25/179087825.db2.gz ATTYWJTZKPNHPL-UHFFFAOYSA-N 0 1 235.356 2.361 10 0 BEAEMN Cc1cccc(CNCc2cnc(C)cn2)c1 ZINC000061320003 179095980 /nfs/dbraw/zinc/09/59/80/179095980.db2.gz NXPBOUFFHOTCAB-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN O=Cc1cc(CN2CCCCC2)ccc1O ZINC000238726999 346491145 /nfs/dbraw/zinc/49/11/45/346491145.db2.gz DCERMCXBXWQBDA-UHFFFAOYSA-N 0 1 219.284 2.191 10 0 BEAEMN C#CCN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000038592097 347164160 /nfs/dbraw/zinc/16/41/60/347164160.db2.gz SFGFYBJZKYONIL-UHFFFAOYSA-N 0 1 249.741 2.257 10 0 BEAEMN CC(C)[C@H](N)C(=O)c1cc(F)cc(F)c1 ZINC000167819945 347226307 /nfs/dbraw/zinc/22/63/07/347226307.db2.gz PJQPDSANXJFMEW-JTQLQIEISA-N 0 1 213.227 2.131 10 0 BEAEMN Cc1cccc([C@H](N)c2nccn2C)c1C ZINC000041042404 179200467 /nfs/dbraw/zinc/20/04/67/179200467.db2.gz FLGSXXFADCSEBN-LBPRGKRZSA-N 0 1 215.300 2.085 10 0 BEAEMN CCCc1cc2nc(C(F)F)nn2c(O)c1 ZINC000725243119 537991005 /nfs/dbraw/zinc/99/10/05/537991005.db2.gz LLRXUVXUUUWFPU-UHFFFAOYSA-N 0 1 227.214 2.325 10 0 BEAEMN CC(C)CCc1cc2ncnn2c(O)c1 ZINC000725243276 537991109 /nfs/dbraw/zinc/99/11/09/537991109.db2.gz ULNFWCFKKQWVBB-UHFFFAOYSA-N 0 1 205.261 2.024 10 0 BEAEMN Oc1cc(C2CC2)cc2nc(C(F)F)nn21 ZINC000725243374 537992417 /nfs/dbraw/zinc/99/24/17/537992417.db2.gz ZZJSCTDAANDEBY-UHFFFAOYSA-N 0 1 225.198 2.250 10 0 BEAEMN Cc1ccccc1NC(=O)c1ccc(CN)o1 ZINC000011628078 179303229 /nfs/dbraw/zinc/30/32/29/179303229.db2.gz CJHPMKPQLYKRGL-UHFFFAOYSA-N 0 1 230.267 2.299 10 0 BEAEMN CC[C@H](C)[S@](=O)C1=C(O)CCCC1 ZINC000251400441 362869230 /nfs/dbraw/zinc/86/92/30/362869230.db2.gz YVQCXPZETAGBQG-FWDPORAESA-N 0 1 202.319 2.045 10 0 BEAEMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250836610 349180290 /nfs/dbraw/zinc/18/02/90/349180290.db2.gz BCBGCUBNNDPJAV-CHWSQXEVSA-N 0 1 245.322 2.123 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@H]2C[C@H](c3ccccc3)C[N@H+]2C1 ZINC000725254191 538043695 /nfs/dbraw/zinc/04/36/95/538043695.db2.gz RRBDDUVDLUPNRY-RDBSUJKOSA-N 0 1 245.322 2.339 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])CC[N@H+]2C1 ZINC000725254185 538043810 /nfs/dbraw/zinc/04/38/10/538043810.db2.gz RGQCBUKICDKOIP-HBNTYKKESA-N 0 1 225.332 2.218 10 0 BEAEMN C[C@@H](c1ccccc1)[C@H](N)c1ncccn1 ZINC000725255288 538050470 /nfs/dbraw/zinc/05/04/70/538050470.db2.gz YRACVUZZXYMIFW-JQWIXIFHSA-N 0 1 213.284 2.280 10 0 BEAEMN Cc1nc2cc(N)c(Br)cc2[nH]1 ZINC000082360174 180075798 /nfs/dbraw/zinc/07/57/98/180075798.db2.gz GNKQZSUIRICSDH-UHFFFAOYSA-N 0 1 226.077 2.216 10 0 BEAEMN Cc1nc2ccc(C(F)(F)F)cn2c1N ZINC000074543218 180091600 /nfs/dbraw/zinc/09/16/00/180091600.db2.gz USEIIOMSMSPOEL-UHFFFAOYSA-N 0 1 215.178 2.244 10 0 BEAEMN Cc1nc2c(cc1C(F)(F)F)CNC2 ZINC000091364332 180069452 /nfs/dbraw/zinc/06/94/52/180069452.db2.gz WAPDPTLFRAPPPO-UHFFFAOYSA-N 0 1 202.179 2.012 10 0 BEAEMN Cc1ncc(CN2CCC([C@@H](C)O)CC2)s1 ZINC000111288685 180144662 /nfs/dbraw/zinc/14/46/62/180144662.db2.gz HDLDDENFXHCEOU-SECBINFHSA-N 0 1 240.372 2.044 10 0 BEAEMN Cc1ccsc1CNCc1ccnc(C)n1 ZINC000037997780 180190649 /nfs/dbraw/zinc/19/06/49/180190649.db2.gz IPCGHDOGGKWMPD-UHFFFAOYSA-N 0 1 233.340 2.445 10 0 BEAEMN Cc1[nH+]ccn1[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062757470 180271434 /nfs/dbraw/zinc/27/14/34/180271434.db2.gz LYSSJTCHCDJZNG-VHSXEESVSA-N 0 1 208.261 2.007 10 0 BEAEMN N=C(NO)[C@@H](Cc1ccccc1)n1cccc1 ZINC000409442456 350483016 /nfs/dbraw/zinc/48/30/16/350483016.db2.gz VJEVCDBNUXBGJG-GFCCVEGCSA-N 0 1 229.283 2.228 10 0 BEAEMN CC(C)(C)N1CCCOC[C@H]1c1cncnc1 ZINC000616596578 350633266 /nfs/dbraw/zinc/63/32/66/350633266.db2.gz BKXXBSGIUUFYDY-LBPRGKRZSA-N 0 1 235.331 2.039 10 0 BEAEMN Cc1noc(CN[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)n1 ZINC000216482753 180489889 /nfs/dbraw/zinc/48/98/89/180489889.db2.gz VATJTWICNODKCL-NZEXEKPDSA-N 0 1 247.342 2.292 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000251956342 350907464 /nfs/dbraw/zinc/90/74/64/350907464.db2.gz XFZQLRGEXKSAOV-OUAUKWLOSA-N 0 1 213.321 2.216 10 0 BEAEMN CCn1ccnc1N[C@@H]1CS[C@@H](C)C1 ZINC000306746321 350934276 /nfs/dbraw/zinc/93/42/76/350934276.db2.gz JZUUNDXPRAHMHH-IUCAKERBSA-N 0 1 211.334 2.209 10 0 BEAEMN CCN[C@]1(C(F)F)C[C@@H](C)O[C@@H](C)C1 ZINC000250611693 350883163 /nfs/dbraw/zinc/88/31/63/350883163.db2.gz HNQLZEUJTBPVGI-DIYOJNKTSA-N 0 1 207.264 2.187 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]2CCCC[C@H]21 ZINC000251230459 350893612 /nfs/dbraw/zinc/89/36/12/350893612.db2.gz QDPWJZWIAVRMET-GMTAPVOTSA-N 0 1 211.305 2.114 10 0 BEAEMN CO[C@H](C(C)C)[C@@H]1NCC[C@@H](C)S1 ZINC000306761850 350987694 /nfs/dbraw/zinc/98/76/94/350987694.db2.gz DFAGZPFHFAOTRM-OPRDCNLKSA-N 0 1 203.351 2.099 10 0 BEAEMN CC1(CC(=O)[C@@H]2CSCCN2)CCCC1 ZINC000306795560 351043544 /nfs/dbraw/zinc/04/35/44/351043544.db2.gz GPSLBKFQYXURLS-JTQLQIEISA-N 0 1 227.373 2.231 10 0 BEAEMN CC(C)N1CCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616636181 351123926 /nfs/dbraw/zinc/12/39/26/351123926.db2.gz BJCWNLPIBIVTHS-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CCOC(=O)N1CCC[C@H](c2cnc[nH]2)CC1 ZINC000616627658 351095718 /nfs/dbraw/zinc/09/57/18/351095718.db2.gz KFQNCQYFZHQWBT-JTQLQIEISA-N 0 1 237.303 2.136 10 0 BEAEMN CC(C)(C)N1CCOC[C@H]1c1ccccc1N ZINC000616641634 351149502 /nfs/dbraw/zinc/14/95/02/351149502.db2.gz MCNQFPLRLDQJKA-ZDUSSCGKSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](c2ccc(N)cc2)C1 ZINC000616644869 351166094 /nfs/dbraw/zinc/16/60/94/351166094.db2.gz KQOHCDKFDVIRKM-CYBMUJFWSA-N 0 1 234.343 2.441 10 0 BEAEMN CC[N@H+]1CCCOC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616649054 351177555 /nfs/dbraw/zinc/17/75/55/351177555.db2.gz JXLOQYXKCYUWRF-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)N1C[C@@H](c2c[nH]nn2)Cc2ccccc21 ZINC000616673967 351237988 /nfs/dbraw/zinc/23/79/88/351237988.db2.gz WWCCWBORZQLBAP-LBPRGKRZSA-N 0 1 242.326 2.359 10 0 BEAEMN CC(C)N1CCc2ccccc2[C@H]1c1nnc[nH]1 ZINC000616678810 351249532 /nfs/dbraw/zinc/24/95/32/351249532.db2.gz MGODUOSUGHEPCC-ZDUSSCGKSA-N 0 1 242.326 2.161 10 0 BEAEMN CC(C)(C)[N@H+]1CCO[C@H](c2cocn2)CC1 ZINC000616686946 351257430 /nfs/dbraw/zinc/25/74/30/351257430.db2.gz MIRYJVBNZPWIBQ-NSHDSACASA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)[N@H+]1CCOCC[C@@H]1c1ccnnc1 ZINC000616655947 351201884 /nfs/dbraw/zinc/20/18/84/351201884.db2.gz NWEHBBYXSIYUEA-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN COc1ccccc1[C@@H]1CCOCCN1C ZINC000616659646 351207894 /nfs/dbraw/zinc/20/78/94/351207894.db2.gz VXDGAWRFLCJNIM-LBPRGKRZSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cnc[nH]1 ZINC000228792198 351377931 /nfs/dbraw/zinc/37/79/31/351377931.db2.gz NJISMPAWZPTKEK-SNVBAGLBSA-N 0 1 237.303 2.482 10 0 BEAEMN N[C@@H](c1ccc[nH]1)c1ccoc1Br ZINC000307145442 351499239 /nfs/dbraw/zinc/49/92/39/351499239.db2.gz GNCDTASSIYDCAG-MRVPVSSYSA-N 0 1 241.088 2.418 10 0 BEAEMN c1ccc2c(c1)OC[C@H]2NCC1=CCCOC1 ZINC000127069367 187624708 /nfs/dbraw/zinc/62/47/08/187624708.db2.gz XGLBSCZEDXLRBF-CYBMUJFWSA-N 0 1 231.295 2.056 10 0 BEAEMN Cc1nc(C)c([C@H]2N[C@@H](C)CS2)s1 ZINC000307444261 352597260 /nfs/dbraw/zinc/59/72/60/352597260.db2.gz UROXZLCLRHYNGS-CDUCUWFYSA-N 0 1 214.359 2.483 10 0 BEAEMN N[C@H](c1occc1Br)C1CSC1 ZINC000404899532 352619122 /nfs/dbraw/zinc/61/91/22/352619122.db2.gz AGQYVNAGZJQGGA-ZETCQYMHSA-N 0 1 248.145 2.405 10 0 BEAEMN C[C@@H](NC1=N[C@H](C)CCS1)C(F)F ZINC000307540697 352644190 /nfs/dbraw/zinc/64/41/90/352644190.db2.gz AFEPBVUNJKERBY-PHDIDXHHSA-N 0 1 208.277 2.111 10 0 BEAEMN C[C@H]1C[C@H](C)N(Cc2ccnc(Cl)n2)C1 ZINC000307628402 352708995 /nfs/dbraw/zinc/70/89/95/352708995.db2.gz UAUDBAJWKQTXHR-IUCAKERBSA-N 0 1 225.723 2.360 10 0 BEAEMN OCc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000334191396 352781854 /nfs/dbraw/zinc/78/18/54/352781854.db2.gz JTRWVEFUVHOAOK-ZIAGYGMSSA-N 0 1 217.312 2.163 10 0 BEAEMN Nc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)[nH]n1 ZINC000307696623 352967651 /nfs/dbraw/zinc/96/76/51/352967651.db2.gz KTPOTSMRJDWAEJ-CYBMUJFWSA-N 0 1 242.326 2.329 10 0 BEAEMN Nc1cc([C@H]2CCCN2Cc2ccccc2)[nH]n1 ZINC000307696623 352967652 /nfs/dbraw/zinc/96/76/52/352967652.db2.gz KTPOTSMRJDWAEJ-CYBMUJFWSA-N 0 1 242.326 2.329 10 0 BEAEMN COC1([C@H]2NCCCS2)CCCCC1 ZINC000306240227 352998954 /nfs/dbraw/zinc/99/89/54/352998954.db2.gz KHSXQCMFFMBUKF-JTQLQIEISA-N 0 1 215.362 2.388 10 0 BEAEMN COc1ccc([C@H](N)c2ccoc2)c(OC)c1 ZINC000035379816 188285538 /nfs/dbraw/zinc/28/55/38/188285538.db2.gz XCYFVLLJFDFSGW-CYBMUJFWSA-N 0 1 233.267 2.345 10 0 BEAEMN CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc([O-])c(Cl)c1 ZINC000054929226 188300119 /nfs/dbraw/zinc/30/01/19/188300119.db2.gz SOBRQEGEWJNKPJ-PWSUYJOCSA-N 0 1 243.734 2.452 10 0 BEAEMN CCCCOc1ccc2c(c1)NC(=O)[C@H]2NCC ZINC000103918267 188323810 /nfs/dbraw/zinc/32/38/10/188323810.db2.gz MFDLVJAHQOXTLG-ZDUSSCGKSA-N 0 1 248.326 2.468 10 0 BEAEMN Cc1cc(N)cnc1NCc1nccs1 ZINC000052812957 188333455 /nfs/dbraw/zinc/33/34/55/188333455.db2.gz ULCUZIXGXGWHFO-UHFFFAOYSA-N 0 1 220.301 2.041 10 0 BEAEMN CC1(C)C[C@@H]1c1ncc(Br)c(=O)[nH]1 ZINC000232862903 353875077 /nfs/dbraw/zinc/87/50/77/353875077.db2.gz VIHMHRHDJOVXQT-RXMQYKEDSA-N 0 1 243.104 2.046 10 0 BEAEMN Cc1nnc([C@H](C)N2CC3(CCC3)C[C@H]2C)[nH]1 ZINC000334645878 354435757 /nfs/dbraw/zinc/43/57/57/354435757.db2.gz PQMYGWOJJRBDTF-ZJUUUORDSA-N 0 1 234.347 2.439 10 0 BEAEMN C[C@H](c1nncn1C)[N@H+]1CC2(CCC2)C[C@H]1C ZINC000335085681 354619556 /nfs/dbraw/zinc/61/95/56/354619556.db2.gz LDCXXBKQAMRNOG-GHMZBOCLSA-N 0 1 234.347 2.141 10 0 BEAEMN C[C@H](c1nncn1C)N1CC2(CCC2)C[C@H]1C ZINC000335085681 354619560 /nfs/dbraw/zinc/61/95/60/354619560.db2.gz LDCXXBKQAMRNOG-GHMZBOCLSA-N 0 1 234.347 2.141 10 0 BEAEMN CC[N@@H+]1CCC[C@H](NCc2ccccc2OC)C1 ZINC000040502035 358493105 /nfs/dbraw/zinc/49/31/05/358493105.db2.gz KXHQRPZSIMGRFQ-AWEZNQCLSA-N 0 1 248.370 2.269 10 0 BEAEMN C[C@@H](O)CNc1nc2ccc(Cl)cc2[nH]1 ZINC000026474102 363535704 /nfs/dbraw/zinc/53/57/04/363535704.db2.gz FKHULXLAMAWWST-ZCFIWIBFSA-N 0 1 225.679 2.009 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000675061342 538487810 /nfs/dbraw/zinc/48/78/10/538487810.db2.gz ZERXVSHVLKLRSC-MGPQQGTHSA-N 0 1 245.322 2.229 10 0 BEAEMN CC[C@@H](C)Oc1cnc(-c2ccccn2)[nH]c1=O ZINC000675072437 538503201 /nfs/dbraw/zinc/50/32/01/538503201.db2.gz GPQVVVVRNIQFPR-SECBINFHSA-N 0 1 245.282 2.422 10 0 BEAEMN CCCOc1cnc(-c2ccccn2)[nH]c1=O ZINC000675073451 538506192 /nfs/dbraw/zinc/50/61/92/538506192.db2.gz YABQDZVTOXCABM-UHFFFAOYSA-N 0 1 231.255 2.033 10 0 BEAEMN Fc1cccc([C@H]2C[C@H](F)CN2)c1F ZINC000675082621 538523043 /nfs/dbraw/zinc/52/30/43/538523043.db2.gz QJGSIERRBPZAFW-IMTBSYHQSA-N 0 1 201.191 2.337 10 0 BEAEMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000211511427 357182093 /nfs/dbraw/zinc/18/20/93/357182093.db2.gz XJZKNRYQYDOWLZ-AAEUAGOBSA-N 0 1 233.311 2.229 10 0 BEAEMN CNC(C)(C)C(=O)c1ccc(F)c(F)c1 ZINC000169177633 357264123 /nfs/dbraw/zinc/26/41/23/357264123.db2.gz NLJDRZXJIYGADU-UHFFFAOYSA-N 0 1 213.227 2.146 10 0 BEAEMN Cc1cnc([C@H](C)NCC[C@H]2CCCO2)o1 ZINC000230417620 357524121 /nfs/dbraw/zinc/52/41/21/357524121.db2.gz AHYZPKWOUWPELO-WDEREUQCSA-N 0 1 224.304 2.203 10 0 BEAEMN Cc1cnc([C@@H](C)NCCc2cccnc2)o1 ZINC000230647872 357544523 /nfs/dbraw/zinc/54/45/23/357544523.db2.gz SDCIIJNXHHXOFI-LLVKDONJSA-N 0 1 231.299 2.271 10 0 BEAEMN Cc1cnc([C@@H](C)N[C@H]2CCCOCC2)o1 ZINC000231529620 357609087 /nfs/dbraw/zinc/60/90/87/357609087.db2.gz GNMRSSVPNANCOB-MNOVXSKESA-N 0 1 224.304 2.203 10 0 BEAEMN Cc1cnc([C@@H](C)N[C@@H]2CCCOCC2)o1 ZINC000231529579 357609264 /nfs/dbraw/zinc/60/92/64/357609264.db2.gz GNMRSSVPNANCOB-GHMZBOCLSA-N 0 1 224.304 2.203 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1C[C@H](O)C1CCCCC1 ZINC000190596526 357711904 /nfs/dbraw/zinc/71/19/04/357711904.db2.gz WLAAGZQFIARUNZ-SCRDCRAPSA-N 0 1 241.375 2.037 10 0 BEAEMN OCCN1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191680201 357782845 /nfs/dbraw/zinc/78/28/45/357782845.db2.gz MEZPKNCZRYXYMD-JTQLQIEISA-N 0 1 241.281 2.137 10 0 BEAEMN C[C@@H]1C[C@H](O)CC[N@H+]1CCCOc1ccccc1 ZINC000639941709 357952829 /nfs/dbraw/zinc/95/28/29/357952829.db2.gz OZCRXBQEJDENJP-ZIAGYGMSSA-N 0 1 249.354 2.301 10 0 BEAEMN CN1Cc2cc(Cl)ccc2NC(=N)C1 ZINC000584632541 358315517 /nfs/dbraw/zinc/31/55/17/358315517.db2.gz MCNMIKLFMPMXNY-UHFFFAOYSA-N 0 1 209.680 2.175 10 0 BEAEMN CCC1OC(c2cccc(C)c2)=NC1=O ZINC000584638267 358323874 /nfs/dbraw/zinc/32/38/74/358323874.db2.gz HPISODQQTXRGRV-JTQLQIEISA-N 0 1 203.241 2.077 10 0 BEAEMN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(F)cn1 ZINC000133919711 358772136 /nfs/dbraw/zinc/77/21/36/358772136.db2.gz PJQZNSVOLXNIHG-QWRGUYRKSA-N 0 1 248.305 2.157 10 0 BEAEMN CCCN(CCC)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132312706 358718339 /nfs/dbraw/zinc/71/83/39/358718339.db2.gz AAWFAMRFQYQWNZ-LLVKDONJSA-N 0 1 249.358 2.478 10 0 BEAEMN Cc1nc(CN2CCC[C@H]2CCCO)oc1C ZINC000052761763 358792687 /nfs/dbraw/zinc/79/26/87/358792687.db2.gz OXCOLUSRIKXISJ-LBPRGKRZSA-N 0 1 238.331 2.028 10 0 BEAEMN C/C(=C\Cl)C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300400830 358989865 /nfs/dbraw/zinc/98/98/65/358989865.db2.gz AQTNODKZJOGHEL-OKJFYCPLSA-N 0 1 231.723 2.314 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1Cc1ccccc1N(C)C ZINC000072685991 359088815 /nfs/dbraw/zinc/08/88/15/359088815.db2.gz COQOVUBRTRVHQB-CHWSQXEVSA-N 0 1 248.370 2.362 10 0 BEAEMN CCC[C@H]1C[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000075374036 359143788 /nfs/dbraw/zinc/14/37/88/359143788.db2.gz ZTLPWZPJOOIIFZ-CABZTGNLSA-N 0 1 243.310 2.481 10 0 BEAEMN Cc1nnc([C@]2(N)CCC[C@@H](C)C2)s1 ZINC000306217511 359331636 /nfs/dbraw/zinc/33/16/36/359331636.db2.gz DCDRXVXHNQAAGT-XCBNKYQSSA-N 0 1 211.334 2.211 10 0 BEAEMN CCCc1c(O)c2cc(C)ccc2[nH]c1=O ZINC000141112859 359588271 /nfs/dbraw/zinc/58/82/71/359588271.db2.gz HBLPOTIBBLAASC-UHFFFAOYSA-N 0 1 217.268 2.495 10 0 BEAEMN CSC1([C@H]2NCC[C@@H](C)S2)CC1 ZINC000306449736 360018481 /nfs/dbraw/zinc/01/84/81/360018481.db2.gz NIWLOMCLCKRVLG-SFYZADRCSA-N 0 1 203.376 2.323 10 0 BEAEMN CC[C@@H]1CN(CC2=CCCC2)CCC1=O ZINC000306594038 360512284 /nfs/dbraw/zinc/51/22/84/360512284.db2.gz XHBRPFSQBCPMCP-GFCCVEGCSA-N 0 1 207.317 2.398 10 0 BEAEMN Cc1ccc([C@@H]2COC(=N)N2)cc1Cl ZINC000169698887 360930625 /nfs/dbraw/zinc/93/06/25/360930625.db2.gz VSQWMMRTAVQJNH-VIFPVBQESA-N 0 1 210.664 2.034 10 0 BEAEMN NC1(C(=O)c2ccc(Br)cc2)CC1 ZINC000011630586 181330872 /nfs/dbraw/zinc/33/08/72/181330872.db2.gz DIAWGPCAOUDBOV-UHFFFAOYSA-N 0 1 240.100 2.123 10 0 BEAEMN O=C(N[C@@H]1CCOc2ccccc21)C(F)(F)F ZINC000070266824 361496088 /nfs/dbraw/zinc/49/60/88/361496088.db2.gz SALDBVDJGUFUAV-MRVPVSSYSA-N 0 1 245.200 2.189 10 0 BEAEMN Cc1cc(/C=C\[C@H]2COCCN2)cs1 ZINC000381611716 361496233 /nfs/dbraw/zinc/49/62/33/361496233.db2.gz PHRBUWHJXROODL-QUCGXOGASA-N 0 1 209.314 2.058 10 0 BEAEMN C[C@H]1[C@@H](CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000139095747 361567289 /nfs/dbraw/zinc/56/72/89/361567289.db2.gz JVJBNQGSJULIFC-WCQYABFASA-N 0 1 233.311 2.372 10 0 BEAEMN C[C@]1(C(=O)[O-])CCC[N@H+]1C1CCCCC1 ZINC000070618118 361637877 /nfs/dbraw/zinc/63/78/77/361637877.db2.gz NLSMLAXULLHENU-GFCCVEGCSA-N 0 1 211.305 2.258 10 0 BEAEMN c1cc2c(s1)CCN[C@H]2c1cncs1 ZINC000306644822 541313770 /nfs/dbraw/zinc/31/37/70/541313770.db2.gz FOPDGXOYYBKUSS-SNVBAGLBSA-N 0 1 222.338 2.440 10 0 BEAEMN Cc1nc([C@H](C)N[C@H]2CCO[C@@H]2C)cs1 ZINC000134061848 364386514 /nfs/dbraw/zinc/38/65/14/364386514.db2.gz MMFUUHVDEIOXLC-XKSSXDPKSA-N 0 1 226.345 2.280 10 0 BEAEMN CC[C@@H](C)c1nnc([C@@H](N)C(C)(C)C)[nH]1 ZINC000675060684 541464125 /nfs/dbraw/zinc/46/41/25/541464125.db2.gz LURSKXHDOOSSRV-HTQZYQBOSA-N 0 1 210.325 2.364 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000381527579 367424636 /nfs/dbraw/zinc/42/46/36/367424636.db2.gz OMAJSLUVPIJPSG-DTWKUNHWSA-N 0 1 235.274 2.217 10 0 BEAEMN Cc1noc([C@@H](C)N[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185585 367496885 /nfs/dbraw/zinc/49/68/85/367496885.db2.gz BPLVOZODKDPKHV-DQDDRIPDSA-N 0 1 221.304 2.217 10 0 BEAEMN CCc1[nH]nc2ccc(-c3nnc(N)s3)cc21 ZINC000116634633 368342697 /nfs/dbraw/zinc/34/26/97/368342697.db2.gz NCPXRVZEPMJYMU-UHFFFAOYSA-N 0 1 245.311 2.226 10 0 BEAEMN OCCCCCCCCCCN1CCOCC1 ZINC000116084339 369019253 /nfs/dbraw/zinc/01/92/53/369019253.db2.gz IXFYPUKBGMCCSZ-UHFFFAOYSA-N 0 1 243.391 2.432 10 0 BEAEMN CCN1c2ccccc2NC[C@@H]1c1cnc[nH]1 ZINC000616691379 369113191 /nfs/dbraw/zinc/11/31/91/369113191.db2.gz IWLRXRLZEWEFIU-CYBMUJFWSA-N 0 1 228.299 2.403 10 0 BEAEMN F[C@H]([C@@H]1CCCCN1)C(F)(F)Br ZINC000225685487 371565300 /nfs/dbraw/zinc/56/53/00/371565300.db2.gz GHFPVZVJSIAQII-NTSWFWBYSA-N 0 1 246.070 2.454 10 0 BEAEMN C[C@H]1CCC[C@@](N)(C(=O)c2ccco2)C1 ZINC000226467902 371670941 /nfs/dbraw/zinc/67/09/41/371670941.db2.gz YMVMJVGFOHEHMT-CABZTGNLSA-N 0 1 207.273 2.370 10 0 BEAEMN C[C@H]1CCC[C@](N)(C(=O)c2ccco2)C1 ZINC000226467908 371671839 /nfs/dbraw/zinc/67/18/39/371671839.db2.gz YMVMJVGFOHEHMT-JOYOIKCWSA-N 0 1 207.273 2.370 10 0 BEAEMN CC[C@](C)(N)C(=O)c1cccc(F)c1F ZINC000226661643 371719815 /nfs/dbraw/zinc/71/98/15/371719815.db2.gz WNNWUXNVUCFHMJ-NSHDSACASA-N 0 1 213.227 2.275 10 0 BEAEMN CC(C)c1c[nH+]c2cccc(C(=O)[O-])n21 ZINC000132382147 371803135 /nfs/dbraw/zinc/80/31/35/371803135.db2.gz JHMAYTHCHJZUGC-UHFFFAOYSA-N 0 1 204.229 2.156 10 0 BEAEMN C[C@](N)(Cc1ccc(F)cc1)C(F)F ZINC000162692048 371822421 /nfs/dbraw/zinc/82/24/21/371822421.db2.gz YPPCDKBLNLQCMZ-JTQLQIEISA-N 0 1 203.207 2.351 10 0 BEAEMN Cc1sccc1C(=O)[C@](C)(N)C1CC1 ZINC000227879590 371951346 /nfs/dbraw/zinc/95/13/46/371951346.db2.gz PTMMIRHEHHRYKA-LLVKDONJSA-N 0 1 209.314 2.367 10 0 BEAEMN C[C@@H](NCc1ccccc1)c1ccncn1 ZINC000306880972 372075324 /nfs/dbraw/zinc/07/53/24/372075324.db2.gz LEWZQQJVVMACBW-LLVKDONJSA-N 0 1 213.284 2.327 10 0 BEAEMN CCNC1(C(F)F)C[C@@H](C)O[C@H](C)C1 ZINC000133678160 372086188 /nfs/dbraw/zinc/08/61/88/372086188.db2.gz HNQLZEUJTBPVGI-HTQZYQBOSA-N 0 1 207.264 2.187 10 0 BEAEMN C[C@H](NC(=O)C(F)(F)F)c1cccc(N)c1 ZINC000229556113 372164582 /nfs/dbraw/zinc/16/45/82/372164582.db2.gz RUXWPRVCBCOKKI-LURJTMIESA-N 0 1 232.205 2.008 10 0 BEAEMN C[C@@H](NC(=O)C(F)(F)F)c1cccc(N)c1 ZINC000229556105 372164760 /nfs/dbraw/zinc/16/47/60/372164760.db2.gz RUXWPRVCBCOKKI-ZCFIWIBFSA-N 0 1 232.205 2.008 10 0 BEAEMN CCNC(=O)CN[C@H](C)c1ccc(Cl)s1 ZINC000036780368 170066014 /nfs/dbraw/zinc/06/60/14/170066014.db2.gz JGMVIIUJPKKICS-SSDOTTSWSA-N 0 1 246.763 2.188 10 0 BEAEMN CCOC(=O)[C@]1(N)C[C@H](C)CC(C)(C)C1 ZINC000037459914 170285908 /nfs/dbraw/zinc/28/59/08/170285908.db2.gz MXBISIMZUWCNIY-SKDRFNHKSA-N 0 1 213.321 2.093 10 0 BEAEMN OCC1(NCc2ccc(F)cc2Cl)CC1 ZINC000120391513 183038106 /nfs/dbraw/zinc/03/81/06/183038106.db2.gz PDDDPPBPEWLBFW-UHFFFAOYSA-N 0 1 229.682 2.094 10 0 BEAEMN CCCC[C@H](O)[P@](=O)([O-])[C@@H]([NH3+])CC(C)C ZINC000028702381 169013123 /nfs/dbraw/zinc/01/31/23/169013123.db2.gz KKHDAIVYMWBULL-NXEZZACHSA-N 0 1 237.280 2.096 10 0 BEAEMN CCCCc1nc(Cl)c(CNCCOC)[nH]1 ZINC000083374656 169025371 /nfs/dbraw/zinc/02/53/71/169025371.db2.gz KZNMQRAOLPIEJW-UHFFFAOYSA-N 0 1 245.754 2.142 10 0 BEAEMN OC[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1 ZINC000027549240 183131022 /nfs/dbraw/zinc/13/10/22/183131022.db2.gz BYNFMAOUMAKLOM-ZETCQYMHSA-N 0 1 232.110 2.000 10 0 BEAEMN O[C@@H](CN1CCCC1)c1cc(F)cc(F)c1 ZINC000070459493 183175150 /nfs/dbraw/zinc/17/51/50/183175150.db2.gz CZOACBHUBBNWDU-LBPRGKRZSA-N 0 1 227.254 2.094 10 0 BEAEMN CCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751080 169086836 /nfs/dbraw/zinc/08/68/36/169086836.db2.gz UBDBAKIMCVFECS-WDEREUQCSA-N 0 1 213.321 2.362 10 0 BEAEMN O[C@H]1/C(=C/c2ccc(F)cc2)N2CCC1CC2 ZINC000012341636 183230489 /nfs/dbraw/zinc/23/04/89/183230489.db2.gz HSEHKBPZCDLUHZ-RNQWEJQRSA-N 0 1 233.286 2.253 10 0 BEAEMN CCCN(CC(=O)Nc1ccccc1N)C1CC1 ZINC000037096705 169095994 /nfs/dbraw/zinc/09/59/94/169095994.db2.gz APAQJFKWPMOEPJ-UHFFFAOYSA-N 0 1 247.342 2.082 10 0 BEAEMN S=c1[nH]nc2ccc(Oc3ccccc3)nn21 ZINC000073666800 183316548 /nfs/dbraw/zinc/31/65/48/183316548.db2.gz OOKIFPNXQFRSNW-UHFFFAOYSA-N 0 1 244.279 2.205 10 0 BEAEMN c1ccc(-c2ccc([C@H]3CNCCO3)nc2)cc1 ZINC000072384521 183379651 /nfs/dbraw/zinc/37/96/51/183379651.db2.gz RMQYGPXFRYANKX-OAHLLOKOSA-N 0 1 240.306 2.410 10 0 BEAEMN c1ccc(-c2nnc(CNC3CC3)s2)cc1 ZINC000082546164 183383732 /nfs/dbraw/zinc/38/37/32/183383732.db2.gz BXEBMIDEAHDIDX-UHFFFAOYSA-N 0 1 231.324 2.457 10 0 BEAEMN CCCNCc1nnc(-c2ccc(F)cc2)o1 ZINC000047948576 169269936 /nfs/dbraw/zinc/26/99/36/169269936.db2.gz NAQGECOOEZGINI-UHFFFAOYSA-N 0 1 235.262 2.375 10 0 BEAEMN CCCN[C@@H](c1cncnc1)c1cccc(C)n1 ZINC000104163687 169280806 /nfs/dbraw/zinc/28/08/06/169280806.db2.gz NOFZIASNFLLMSH-AWEZNQCLSA-N 0 1 242.326 2.269 10 0 BEAEMN CCCO[C@H]1CCCN(CC(=O)C(C)(C)C)C1 ZINC000042423751 169311551 /nfs/dbraw/zinc/31/15/51/169311551.db2.gz DXLVHTUIBLGLHU-LBPRGKRZSA-N 0 1 241.375 2.493 10 0 BEAEMN CCCOc1ccc(-c2c[nH]c(CN)n2)cc1 ZINC000036870924 169316178 /nfs/dbraw/zinc/31/61/78/169316178.db2.gz LVTBVFGESSGPNQ-UHFFFAOYSA-N 0 1 231.299 2.324 10 0 BEAEMN CCC[C@@H](N)c1nc(C)c(C(=O)OCC)s1 ZINC000083370715 169393785 /nfs/dbraw/zinc/39/37/85/169393785.db2.gz OWVWWOMFVVLOGV-MRVPVSSYSA-N 0 1 242.344 2.428 10 0 BEAEMN CN(C)C[C@@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000575622611 383876994 /nfs/dbraw/zinc/87/69/94/383876994.db2.gz XSUCJUFRUZLKAZ-AWEZNQCLSA-N 0 1 236.334 2.162 10 0 BEAEMN C[C@H](NCc1cncnc1)c1ccccc1 ZINC000054766833 383920215 /nfs/dbraw/zinc/92/02/15/383920215.db2.gz XAWCWZDVBYHLHW-NSHDSACASA-N 0 1 213.284 2.327 10 0 BEAEMN C[C@@H](NCc1cncnc1)c1ccccc1 ZINC000054766834 383920688 /nfs/dbraw/zinc/92/06/88/383920688.db2.gz XAWCWZDVBYHLHW-LLVKDONJSA-N 0 1 213.284 2.327 10 0 BEAEMN Clc1ccc(CNCc2cncnc2)cc1 ZINC000054767192 383958014 /nfs/dbraw/zinc/95/80/14/383958014.db2.gz DWUPXCDYFYPOSI-UHFFFAOYSA-N 0 1 233.702 2.420 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1cn(C(C)C)nn1 ZINC000309443336 384022291 /nfs/dbraw/zinc/02/22/91/384022291.db2.gz ZZTMXANBMZXFAP-ZYHUDNBSSA-N 0 1 222.336 2.137 10 0 BEAEMN CN[C@@H](c1cnsn1)C1CCCCC1 ZINC000135145867 384069048 /nfs/dbraw/zinc/06/90/48/384069048.db2.gz PJHRKTRRBVIEJD-SNVBAGLBSA-N 0 1 211.334 2.379 10 0 BEAEMN Cc1ccc(Nc2n[nH]c(N)n2)c(Cl)c1 ZINC000072416787 384122707 /nfs/dbraw/zinc/12/27/07/384122707.db2.gz ZXNCGHWRVWLONI-UHFFFAOYSA-N 0 1 223.667 2.092 10 0 BEAEMN CCCCNC(=O)CN[C@H](C)c1cccs1 ZINC000042213326 384207559 /nfs/dbraw/zinc/20/75/59/384207559.db2.gz BPOHITFLVLKNEN-SNVBAGLBSA-N 0 1 240.372 2.315 10 0 BEAEMN OCC[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000227928620 134399578 /nfs/dbraw/zinc/39/95/78/134399578.db2.gz CECRODOVQCKKAK-SNVBAGLBSA-N 0 1 241.281 2.169 10 0 BEAEMN O=Cc1c(O)ccc(Br)c1F ZINC000075926722 384348375 /nfs/dbraw/zinc/34/83/75/384348375.db2.gz FCZNTUDWVQSVHC-UHFFFAOYSA-N 0 1 219.009 2.106 10 0 BEAEMN COC(=O)/C=C1/CCC[N@@H+](Cc2ccccc2)C1 ZINC000095076107 384351147 /nfs/dbraw/zinc/35/11/47/384351147.db2.gz PETMGASBJCUITG-UVTDQMKNSA-N 0 1 245.322 2.382 10 0 BEAEMN COC(=O)/C=C1/CCCN(Cc2ccccc2)C1 ZINC000095076107 384351154 /nfs/dbraw/zinc/35/11/54/384351154.db2.gz PETMGASBJCUITG-UVTDQMKNSA-N 0 1 245.322 2.382 10 0 BEAEMN C[N@H+](Cc1cncs1)C[C@H]1CCCC[C@@H]1O ZINC000134602381 384370742 /nfs/dbraw/zinc/37/07/42/384370742.db2.gz LHYBWXDTGIXENJ-PWSUYJOCSA-N 0 1 240.372 2.126 10 0 BEAEMN CN(Cc1cncs1)C[C@H]1CCCC[C@@H]1O ZINC000134602381 384370749 /nfs/dbraw/zinc/37/07/49/384370749.db2.gz LHYBWXDTGIXENJ-PWSUYJOCSA-N 0 1 240.372 2.126 10 0 BEAEMN c1ccc2c(c1)N=c1ccc3c(c1-2)SCN=3 ZINC000095931747 384410796 /nfs/dbraw/zinc/41/07/96/384410796.db2.gz LZFQHNZVRYTMQN-UHFFFAOYSA-N 0 1 224.288 2.301 10 0 BEAEMN c1ccc2c(c1)N=c1cc3c(cc1-2)=NCS3 ZINC000095931751 384411281 /nfs/dbraw/zinc/41/12/81/384411281.db2.gz AHJUYHSHXRDRLH-UHFFFAOYSA-N 0 1 224.288 2.301 10 0 BEAEMN CC(C)C[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000121509788 384419343 /nfs/dbraw/zinc/41/93/43/384419343.db2.gz GANHPBUGQIRKSH-MNOVXSKESA-N 0 1 249.358 2.380 10 0 BEAEMN C[C@H]1C[C@H](O)CN(Cc2cc(F)cc(F)c2)C1 ZINC000334746172 384486602 /nfs/dbraw/zinc/48/66/02/384486602.db2.gz OKKWYMSYFJSQIK-ZANVPECISA-N 0 1 241.281 2.168 10 0 BEAEMN C=C(CC(C)=O)OC(=O)c1ccccc1 ZINC000036477191 384685347 /nfs/dbraw/zinc/68/53/47/384685347.db2.gz SHFIONQRGVEWRT-CSKARUKUSA-N 0 1 204.225 2.336 10 0 BEAEMN Cc1ccnc(NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000082997325 384736734 /nfs/dbraw/zinc/73/67/34/384736734.db2.gz LJCHGQJSLZRCNB-RYUDHWBXSA-N 0 1 220.316 2.353 10 0 BEAEMN C[C@@H]1C[C@@H](O)CN(Cc2nc3ccccc3o2)C1 ZINC000334827490 384743189 /nfs/dbraw/zinc/74/31/89/384743189.db2.gz QRNYNJFDCZWSGO-GHMZBOCLSA-N 0 1 246.310 2.031 10 0 BEAEMN CCN(C)[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000103195377 384753901 /nfs/dbraw/zinc/75/39/01/384753901.db2.gz OJZMSKGYVKCORR-YUTCNCBUSA-N 0 1 246.354 2.204 10 0 BEAEMN Cn1cc([C@H]2CCCN2Cc2ccccn2)cn1 ZINC000104959843 384853949 /nfs/dbraw/zinc/85/39/49/384853949.db2.gz UGEKIWSBSOGUGE-CQSZACIVSA-N 0 1 242.326 2.152 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1cccnc1Cl ZINC000127311540 384860061 /nfs/dbraw/zinc/86/00/61/384860061.db2.gz DCOSJDFYHZGRPK-PSASIEDQSA-N 0 1 226.707 2.002 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]1c1nccs1 ZINC000365058102 384911191 /nfs/dbraw/zinc/91/11/91/384911191.db2.gz GTRMBWMZIPKNER-IUCAKERBSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1nccs1 ZINC000365058102 384911195 /nfs/dbraw/zinc/91/11/95/384911195.db2.gz GTRMBWMZIPKNER-IUCAKERBSA-N 0 1 240.328 2.143 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1CC[C@@H](C(F)F)C1 ZINC000586768398 384916028 /nfs/dbraw/zinc/91/60/28/384916028.db2.gz DMXYYGOFEUDFQD-ZJUUUORDSA-N 0 1 249.301 2.161 10 0 BEAEMN CN(Cc1ccns1)C[C@H]1CCC[C@@H](O)C1 ZINC000404384539 384975144 /nfs/dbraw/zinc/97/51/44/384975144.db2.gz ISUJCPXUCMPRHE-WDEREUQCSA-N 0 1 240.372 2.126 10 0 BEAEMN CN[C@]1(c2nccs2)CCCSC1 ZINC000061590709 385126845 /nfs/dbraw/zinc/12/68/45/385126845.db2.gz YJPBZIVLOHXVNU-SECBINFHSA-N 0 1 214.359 2.085 10 0 BEAEMN Cc1cccc(NCC2CCC(C(N)=O)CC2)n1 ZINC000157872072 385300503 /nfs/dbraw/zinc/30/05/03/385300503.db2.gz ZSFDGFJZEXMHCZ-UHFFFAOYSA-N 0 1 247.342 2.094 10 0 BEAEMN CCCCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000131537345 385342805 /nfs/dbraw/zinc/34/28/05/385342805.db2.gz VWPDGEWYBCJGTK-JTQLQIEISA-N 0 1 235.331 2.136 10 0 BEAEMN COC(=O)c1cccnc1CN1CCCCCC1 ZINC000302368472 385518406 /nfs/dbraw/zinc/51/84/06/385518406.db2.gz OKFKUKKHNUUDFU-UHFFFAOYSA-N 0 1 248.326 2.244 10 0 BEAEMN c1cncc(CCN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000172075631 385546684 /nfs/dbraw/zinc/54/66/84/385546684.db2.gz FMSIOIARHLEVPE-LSDHHAIUSA-N 0 1 246.354 2.268 10 0 BEAEMN COC(=O)c1cc(Cl)c(O)cc1C ZINC000260985976 386000323 /nfs/dbraw/zinc/00/03/23/386000323.db2.gz SGHYELLNUCLXSP-UHFFFAOYSA-N 0 1 200.621 2.141 10 0 BEAEMN O=Cc1ccc(C(F)(F)F)c2[nH]ncc21 ZINC000261507071 386027495 /nfs/dbraw/zinc/02/74/95/386027495.db2.gz DYSNXAIPWROQPX-UHFFFAOYSA-N 0 1 214.146 2.394 10 0 BEAEMN Cc1ccc([C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000221999754 386031453 /nfs/dbraw/zinc/03/14/53/386031453.db2.gz JHMZZTIILPJORG-KCQAQPDRSA-N 0 1 249.354 2.138 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1cc(F)c(F)cc1F ZINC000131932286 386227570 /nfs/dbraw/zinc/22/75/70/386227570.db2.gz LNRGBKXCHKUDJD-JMCQJSRRSA-N 0 1 245.244 2.371 10 0 BEAEMN Cc1ccc([C@H](C)N[C@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC000336742544 386200244 /nfs/dbraw/zinc/20/02/44/386200244.db2.gz OIXYXLXDKOOEFH-DLOVCJGASA-N 0 1 222.332 2.189 10 0 BEAEMN C[C@@H](O)CCN1CCCC[C@H]1c1nccs1 ZINC000336683153 386343387 /nfs/dbraw/zinc/34/33/87/386343387.db2.gz SOVKHDUHGBVGOS-MNOVXSKESA-N 0 1 240.372 2.441 10 0 BEAEMN C[C@@H]1CC[C@](N)(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000521401222 386452126 /nfs/dbraw/zinc/45/21/26/386452126.db2.gz ZSZACOUMQUPYON-GBIKHYSHSA-N 0 1 227.348 2.482 10 0 BEAEMN O=C(c1ccn[nH]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114435382 386747999 /nfs/dbraw/zinc/74/79/99/386747999.db2.gz DDCZBPHBWBMOCH-AWEZNQCLSA-N 0 1 245.326 2.372 10 0 BEAEMN CN(C)C[C@H](NCc1cocn1)c1ccccc1 ZINC000192281853 386752486 /nfs/dbraw/zinc/75/24/86/386752486.db2.gz NWUCQCCWKHEDRT-AWEZNQCLSA-N 0 1 245.326 2.067 10 0 BEAEMN O=C1OCC[C@H]1N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494534 386790271 /nfs/dbraw/zinc/79/02/71/386790271.db2.gz WNPNLEBRBNHAOT-OCCSQVGLSA-N 0 1 235.327 2.124 10 0 BEAEMN C[C@@H](O)CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248653122 386787126 /nfs/dbraw/zinc/78/71/26/386787126.db2.gz OKIKAASARHUOTK-OCCSQVGLSA-N 0 1 249.354 2.219 10 0 BEAEMN Cc1nc2c(cc(Br)cc2N)[nH]1 ZINC000084499472 386944614 /nfs/dbraw/zinc/94/46/14/386944614.db2.gz SAYQPFYJLKZLHP-UHFFFAOYSA-N 0 1 226.077 2.216 10 0 BEAEMN CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251407205 387042527 /nfs/dbraw/zinc/04/25/27/387042527.db2.gz NAPCCAHFOLFWRQ-UONOGXRCSA-N 0 1 247.338 2.475 10 0 BEAEMN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C)n2)o1 ZINC000392423364 387079616 /nfs/dbraw/zinc/07/96/16/387079616.db2.gz SMTYFGXPQGALAR-RKDXNWHRSA-N 0 1 234.303 2.426 10 0 BEAEMN CC(C)=C[C@H](N)c1nn(C)cc1Br ZINC000575483245 387202979 /nfs/dbraw/zinc/20/29/79/387202979.db2.gz OXLCPSMGFPJNPL-QMMMGPOBSA-N 0 1 244.136 2.149 10 0 BEAEMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CCC[C@@H]1C ZINC000230170437 387238697 /nfs/dbraw/zinc/23/86/97/387238697.db2.gz GUTFTYTUJVUQJP-GWCFXTLKSA-N 0 1 249.358 2.203 10 0 BEAEMN OCc1cc(Cl)c(O)cc1Br ZINC000575675472 387357876 /nfs/dbraw/zinc/35/78/76/387357876.db2.gz KZTHJLFTFCAJLP-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN CSc1cc(O)c(F)cc1C(C)=O ZINC000575703000 387398814 /nfs/dbraw/zinc/39/88/14/387398814.db2.gz JZFSJQNZRNZVOH-UHFFFAOYSA-N 0 1 200.234 2.456 10 0 BEAEMN CC[C@H](O)CN1CCC[C@@H]1c1nccs1 ZINC000373952985 387406106 /nfs/dbraw/zinc/40/61/06/387406106.db2.gz AEXIKMFZGIGXKS-VHSXEESVSA-N 0 1 226.345 2.051 10 0 BEAEMN CC[C@@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000035206466 387561727 /nfs/dbraw/zinc/56/17/27/387561727.db2.gz IOEJHQFTEMCYEB-WOPDTQHZSA-N 0 1 249.358 2.035 10 0 BEAEMN C[C@](N)(c1ccsc1)c1ccns1 ZINC000575548507 387645154 /nfs/dbraw/zinc/64/51/54/387645154.db2.gz DYMIDKYASAWHBD-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN C[C@@](N)(c1ccsc1)c1cncs1 ZINC000575549014 387648634 /nfs/dbraw/zinc/64/86/34/387648634.db2.gz GDVRZSZNYDCVSB-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN CC[C@H]1CCCN1Cc1ncccc1C(=O)OC ZINC000305944876 387668477 /nfs/dbraw/zinc/66/84/77/387668477.db2.gz MBNQWKUTDFQJBU-NSHDSACASA-N 0 1 248.326 2.243 10 0 BEAEMN C/C=C/[C@H](N)c1ccc(Br)cn1 ZINC000575562940 387703740 /nfs/dbraw/zinc/70/37/40/387703740.db2.gz GMOAOUXZVICNMQ-SGJFDWMWSA-N 0 1 227.105 2.420 10 0 BEAEMN CC(=O)c1cc(O)c(C#N)c(C(F)F)c1 ZINC000575642799 387865028 /nfs/dbraw/zinc/86/50/28/387865028.db2.gz JMJMDHDVXOUNBB-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN CCCCCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195068414 387906255 /nfs/dbraw/zinc/90/62/55/387906255.db2.gz USECLDCNNDVVKX-ZDUSSCGKSA-N 0 1 238.375 2.263 10 0 BEAEMN CCc1nnc(CN(C)C2CCCCC2)n1C ZINC000195007748 388081980 /nfs/dbraw/zinc/08/19/80/388081980.db2.gz QMGQRJCVMNEASZ-UHFFFAOYSA-N 0 1 236.363 2.142 10 0 BEAEMN CCc1nnc(CN(CC)C2CCCC2)n1C ZINC000195082566 388096657 /nfs/dbraw/zinc/09/66/57/388096657.db2.gz JODJJABDXNZXNE-UHFFFAOYSA-N 0 1 236.363 2.142 10 0 BEAEMN Cc1[nH]c2ccccc2c1[C@@H]1COCCN1 ZINC000071519756 388097380 /nfs/dbraw/zinc/09/73/80/388097380.db2.gz CEJANMLRGVSCMM-LBPRGKRZSA-N 0 1 216.284 2.137 10 0 BEAEMN CCN(Cc1nnc(C2CC2)n1C)CC(C)C ZINC000195430828 388163721 /nfs/dbraw/zinc/16/37/21/388163721.db2.gz BKXQLNVNZKKNCP-UHFFFAOYSA-N 0 1 236.363 2.170 10 0 BEAEMN CCN(Cc1nnc(C)n1CC)[C@@H](C)C(C)C ZINC000195432704 388164104 /nfs/dbraw/zinc/16/41/04/388164104.db2.gz WMXTVXQUEJPGPP-NSHDSACASA-N 0 1 238.379 2.473 10 0 BEAEMN C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(C2CC2)o1 ZINC000646092164 388140540 /nfs/dbraw/zinc/14/05/40/388140540.db2.gz MUVBCVPENJMJBA-VWYCJHECSA-N 0 1 233.315 2.225 10 0 BEAEMN c1cc2cc([C@@H]3NCCc4nc[nH]c43)ccc2[nH]1 ZINC000067714093 388407362 /nfs/dbraw/zinc/40/73/62/388407362.db2.gz RRTWGHODAFUTHP-ZDUSSCGKSA-N 0 1 238.294 2.126 10 0 BEAEMN Cc1nc(CN2CCC[C@@H](O)[C@@H]2C)sc1C ZINC000296451158 388424353 /nfs/dbraw/zinc/42/43/53/388424353.db2.gz WZQDCHRLHHOICJ-GXSJLCMTSA-N 0 1 240.372 2.105 10 0 BEAEMN c1cc2c(s1)CCN[C@H]2c1cccnc1 ZINC000066054608 388533961 /nfs/dbraw/zinc/53/39/61/388533961.db2.gz VFMHJJPZRDRFGU-LBPRGKRZSA-N 0 1 216.309 2.378 10 0 BEAEMN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1O ZINC000123981208 388658843 /nfs/dbraw/zinc/65/88/43/388658843.db2.gz DHGSUCUQUGDXSC-GZMMTYOYSA-N 0 1 237.274 2.450 10 0 BEAEMN Cc1ccnc(N2CCCC[C@H]2C)c1N ZINC000036245175 132341351 /nfs/dbraw/zinc/34/13/51/132341351.db2.gz UGIPVTSZEFJXDL-SNVBAGLBSA-N 0 1 205.305 2.351 10 0 BEAEMN C[C@@H]1CCN(c2cc(C(=O)[O-])cc[nH+]2)[C@H](C)C1 ZINC000051746514 132361854 /nfs/dbraw/zinc/36/18/54/132361854.db2.gz NQXZHFGHDVFYPL-NXEZZACHSA-N 0 1 234.299 2.405 10 0 BEAEMN Cc1ccc(C(=O)[O-])c(N2CCCCC2)[nH+]1 ZINC000054532518 132364783 /nfs/dbraw/zinc/36/47/83/132364783.db2.gz ACGLNDSVCHALDN-UHFFFAOYSA-N 0 1 220.272 2.079 10 0 BEAEMN CCc1nnc(CN2CCC[C@@H]2C2CCC2)n1C ZINC000170872498 134254039 /nfs/dbraw/zinc/25/40/39/134254039.db2.gz UFRPLTAPKDTTSC-GFCCVEGCSA-N 0 1 248.374 2.142 10 0 BEAEMN Cc1cnc([C@H](C)NC[C@H]2CCCOC2)o1 ZINC000220915850 134314850 /nfs/dbraw/zinc/31/48/50/134314850.db2.gz OMEHSFOKJTXAEW-WDEREUQCSA-N 0 1 224.304 2.060 10 0 BEAEMN CC[N@H+]1CCC[C@H](Nc2nc(C(C)C)no2)C1 ZINC000180422925 134327214 /nfs/dbraw/zinc/32/72/14/134327214.db2.gz VGFBPSGXVIULQH-JTQLQIEISA-N 0 1 238.335 2.089 10 0 BEAEMN CC[N@@H+]1CCC[C@H]([N-]c2nc(C(C)C)no2)C1 ZINC000180422925 134327215 /nfs/dbraw/zinc/32/72/15/134327215.db2.gz VGFBPSGXVIULQH-JTQLQIEISA-N 0 1 238.335 2.089 10 0 BEAEMN CC[N@H+]1CCC[C@H]([N-]c2nc(C(C)C)no2)C1 ZINC000180422925 134327216 /nfs/dbraw/zinc/32/72/16/134327216.db2.gz VGFBPSGXVIULQH-JTQLQIEISA-N 0 1 238.335 2.089 10 0 BEAEMN CC(C)CCOCCN1[C@H](C)COC[C@@H]1C ZINC000077657589 135071943 /nfs/dbraw/zinc/07/19/43/135071943.db2.gz BUJSCWNCXGPVHJ-BETUJISGSA-N 0 1 229.364 2.158 10 0 BEAEMN Cc1csc(CN2CCC[C@@H]2CCCO)n1 ZINC000087396337 135129562 /nfs/dbraw/zinc/12/95/62/135129562.db2.gz XCIFAPZKYYZNNM-LLVKDONJSA-N 0 1 240.372 2.188 10 0 BEAEMN Cc1cccc(CC[N@@H+](CC(=O)[O-])C(C)C)c1 ZINC000263479797 135356692 /nfs/dbraw/zinc/35/66/92/135356692.db2.gz GBQKGSLUMAEJOC-UHFFFAOYSA-N 0 1 235.327 2.333 10 0 BEAEMN C[C@@H](COCc1ccccc1)NCc1ncc[nH]1 ZINC000174619626 397765103 /nfs/dbraw/zinc/76/51/03/397765103.db2.gz ASJVOXMYVRMMIJ-LBPRGKRZSA-N 0 1 245.326 2.105 10 0 BEAEMN CCCN(CCC)Cc1nnc(C)n1CC ZINC000195063210 397899834 /nfs/dbraw/zinc/89/98/34/397899834.db2.gz WIHAAZKNJPMORZ-UHFFFAOYSA-N 0 1 224.352 2.228 10 0 BEAEMN Cc1cc(/C=C/[C@@H]2COCCN2)cs1 ZINC000307134984 397986958 /nfs/dbraw/zinc/98/69/58/397986958.db2.gz PHRBUWHJXROODL-KXMPLOMGSA-N 0 1 209.314 2.058 10 0 BEAEMN CC(C)NCc1nnc(C2CCCCC2)[nH]1 ZINC000041058850 167121944 /nfs/dbraw/zinc/12/19/44/167121944.db2.gz WZQNJSCXZVHDHF-UHFFFAOYSA-N 0 1 222.336 2.350 10 0 BEAEMN CCC[C@@H]1C[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000674485982 487587360 /nfs/dbraw/zinc/58/73/60/487587360.db2.gz OOTRUIRFBYSGRO-BXKDBHETSA-N 0 1 247.342 2.207 10 0 BEAEMN CCC[C@H]1C[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000674485984 487587478 /nfs/dbraw/zinc/58/74/78/487587478.db2.gz OOTRUIRFBYSGRO-JOYOIKCWSA-N 0 1 247.342 2.207 10 0 BEAEMN Brc1cccc([C@@H]2NCCO2)c1 ZINC000049821075 166101284 /nfs/dbraw/zinc/10/12/84/166101284.db2.gz ORHALYCGTSDHKA-SECBINFHSA-N 0 1 228.089 2.068 10 0 BEAEMN CCC[C@H](C)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000051322566 410447031 /nfs/dbraw/zinc/44/70/31/410447031.db2.gz TUCGCGDEPZZLML-JTQLQIEISA-N 0 1 213.321 2.219 10 0 BEAEMN CC(C)NCC(=O)c1ccc(F)c(F)c1 ZINC000049815286 167096495 /nfs/dbraw/zinc/09/64/95/167096495.db2.gz HONNZUTUUVCFIR-UHFFFAOYSA-N 0 1 213.227 2.146 10 0 BEAEMN CC(C)Oc1ccc(C(=O)[C@@H](C)N)cc1 ZINC000071510443 167290256 /nfs/dbraw/zinc/29/02/56/167290256.db2.gz RJHQAGWGQNTALR-SECBINFHSA-N 0 1 207.273 2.004 10 0 BEAEMN O=c1c2c([nH]n1Cc1ccccc1)CCC2 ZINC000103751882 410913037 /nfs/dbraw/zinc/91/30/37/410913037.db2.gz DQMMJKBAEYMXCK-LLVKDONJSA-N 0 1 214.268 2.185 10 0 BEAEMN O=c1c2c([nH]n1Cc1ccccc1)CCC2 ZINC000103751885 410913351 /nfs/dbraw/zinc/91/33/51/410913351.db2.gz DQMMJKBAEYMXCK-NSHDSACASA-N 0 1 214.268 2.185 10 0 BEAEMN CC(C)Oc1ccc([C@H]2COCCN2)cc1 ZINC000071523221 167302282 /nfs/dbraw/zinc/30/22/82/167302282.db2.gz VTUOYNGWGJLVTQ-CYBMUJFWSA-N 0 1 221.300 2.135 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1F ZINC000044623561 411138813 /nfs/dbraw/zinc/13/88/13/411138813.db2.gz FHEKMFKEWKFCQO-SNVBAGLBSA-N 0 1 243.253 2.260 10 0 BEAEMN COc1ccc(N2N=C3CCC[C@H]3C2=O)cc1 ZINC000109106070 411148959 /nfs/dbraw/zinc/14/89/59/411148959.db2.gz YVSFLXVDJKBDAU-LLVKDONJSA-N 0 1 230.267 2.198 10 0 BEAEMN COc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1 ZINC000109106070 411148960 /nfs/dbraw/zinc/14/89/60/411148960.db2.gz YVSFLXVDJKBDAU-LLVKDONJSA-N 0 1 230.267 2.198 10 0 BEAEMN CC1(CNC(=O)[C@H]2CCCc3[nH]ncc32)CCC1 ZINC000134475323 168036836 /nfs/dbraw/zinc/03/68/36/168036836.db2.gz VHQNQADHZHKOHM-JTQLQIEISA-N 0 1 247.342 2.136 10 0 BEAEMN Cc1[nH]n(-c2ccc(Cl)cc2N)c(=O)c1C ZINC000037947810 168133402 /nfs/dbraw/zinc/13/34/02/168133402.db2.gz URDNGTLAZQAXDD-ZCFIWIBFSA-N 0 1 237.690 2.281 10 0 BEAEMN CCC(C)(C)NC(=O)CN[C@@H](C)c1cccnc1 ZINC000042226148 168289917 /nfs/dbraw/zinc/28/99/17/168289917.db2.gz NIMIUBMXULVIQV-NSHDSACASA-N 0 1 249.358 2.037 10 0 BEAEMN C[N@H+](Cc1ncccc1C(=O)[O-])CC1CCCC1 ZINC000305952285 411428258 /nfs/dbraw/zinc/42/82/58/411428258.db2.gz NFENZORUQFVNBQ-UHFFFAOYSA-N 0 1 248.326 2.402 10 0 BEAEMN CC[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000305933269 411428495 /nfs/dbraw/zinc/42/84/95/411428495.db2.gz KGAVQKOKVPFFPX-LLVKDONJSA-N 0 1 248.326 2.402 10 0 BEAEMN CCNCc1csc([C@H]2CCCO2)n1 ZINC000062214638 170130344 /nfs/dbraw/zinc/13/03/44/170130344.db2.gz AVEYJCONPYWKTG-SECBINFHSA-N 0 1 212.318 2.104 10 0 BEAEMN CCN[C@@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000037869553 170138386 /nfs/dbraw/zinc/13/83/86/170138386.db2.gz GMXUDTKCVOTIFT-SECBINFHSA-N 0 1 247.125 2.129 10 0 BEAEMN CCN[C@@H](c1cccnc1)c1cncc(F)c1 ZINC000049576295 170148827 /nfs/dbraw/zinc/14/88/27/170148827.db2.gz BGCLBHMBCFCICB-ZDUSSCGKSA-N 0 1 231.274 2.315 10 0 BEAEMN CCN[C@@H]1CC[S@@](=O)c2c(F)ccc(F)c21 ZINC000040977579 170153555 /nfs/dbraw/zinc/15/35/55/170153555.db2.gz ICVIFZYIUZIEHH-ABKXIKBNSA-N 0 1 245.294 2.127 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2scnc2C)o1 ZINC000050618778 170159737 /nfs/dbraw/zinc/15/97/37/170159737.db2.gz LHJIWSVSXBRQJC-SSDOTTSWSA-N 0 1 238.316 2.172 10 0 BEAEMN CCN[C@H](CO)c1ccccc1Br ZINC000038120413 170162535 /nfs/dbraw/zinc/16/25/35/170162535.db2.gz LILRTKAKMZBOPL-SNVBAGLBSA-N 0 1 244.132 2.092 10 0 BEAEMN CCN[C@H](c1ccc(C)s1)c1nccn1C ZINC000041048666 170162916 /nfs/dbraw/zinc/16/29/16/170162916.db2.gz AWVXBGDQFYYFHN-LLVKDONJSA-N 0 1 235.356 2.489 10 0 BEAEMN CCNc1nc(N2CCCC2)nc(C)c1C ZINC000050864276 170177002 /nfs/dbraw/zinc/17/70/02/170177002.db2.gz CGEKKYVVWVPPCV-UHFFFAOYSA-N 0 1 220.320 2.125 10 0 BEAEMN CCOc1cccc([C@H](C(=O)[O-])[N@@H+](C)C2CC2)c1 ZINC000077427080 170585468 /nfs/dbraw/zinc/58/54/68/170585468.db2.gz VYXDSHUREVKKPS-CYBMUJFWSA-N 0 1 249.310 2.305 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000662212378 412026782 /nfs/dbraw/zinc/02/67/82/412026782.db2.gz OVLKGXGFBJXNRB-GARJFASQSA-N 0 1 213.321 2.074 10 0 BEAEMN CC[C@@H]1CN([C@H]2CNc3ccccc3C2)CCO1 ZINC000037761132 171095429 /nfs/dbraw/zinc/09/54/29/171095429.db2.gz YNQCIWIXBRLQSU-ZIAGYGMSSA-N 0 1 246.354 2.134 10 0 BEAEMN CC[C@@](C)([NH3+])c1nc(-c2cccs2)cc(=O)[n-]1 ZINC000071372505 171172627 /nfs/dbraw/zinc/17/26/27/171172627.db2.gz UFWAIXYMBNFHNX-GFCCVEGCSA-N 0 1 249.339 2.082 10 0 BEAEMN CC[C@@](C)(O)CN1CCC[C@H]1c1nccs1 ZINC000372502410 171177854 /nfs/dbraw/zinc/17/78/54/171177854.db2.gz GHIIPXRIYFNDAK-CMPLNLGQSA-N 0 1 240.372 2.441 10 0 BEAEMN CC[C@H](C(N)=O)N(C)Cc1ccc(Cl)cc1 ZINC000061679412 171243270 /nfs/dbraw/zinc/24/32/70/171243270.db2.gz XSIWPLIDAWQTEF-LLVKDONJSA-N 0 1 240.734 2.036 10 0 BEAEMN CC[C@H](C)[N@@H+](CCOC)C[C@@](C)(CC)C(=O)[O-] ZINC000051290408 171315622 /nfs/dbraw/zinc/31/56/22/171315622.db2.gz FEUWDEHZSJHHJU-WCQYABFASA-N 0 1 245.363 2.234 10 0 BEAEMN CC[C@H](C)NC(=O)CN[C@H](C)c1cccs1 ZINC000035141828 171326592 /nfs/dbraw/zinc/32/65/92/171326592.db2.gz XOPRZLZPJCEUNG-VHSXEESVSA-N 0 1 240.372 2.313 10 0 BEAEMN CC[C@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000020245919 171344415 /nfs/dbraw/zinc/34/44/15/171344415.db2.gz YPMHTNHRAXWCLF-NSHDSACASA-N 0 1 230.315 2.155 10 0 BEAEMN CC[C@H](C)Nc1[nH+]c(C)ccc1C(=O)[O-] ZINC000054527101 171350353 /nfs/dbraw/zinc/35/03/53/171350353.db2.gz LVLADDDBUMIJQZ-ZETCQYMHSA-N 0 1 208.261 2.299 10 0 BEAEMN CC[C@H](C)Oc1ccc2c(c1)NC(=O)[C@@H]2NC ZINC000103921327 171356539 /nfs/dbraw/zinc/35/65/39/171356539.db2.gz XBTBKYMTINLKGV-QPUJVOFHSA-N 0 1 234.299 2.077 10 0 BEAEMN CC[C@H]1CO[C@H](C)CN1CCC(=O)C(C)(C)C ZINC000054026707 171674604 /nfs/dbraw/zinc/67/46/04/171674604.db2.gz LBKSAAKRHYOKPA-NEPJUHHUSA-N 0 1 241.375 2.491 10 0 BEAEMN CCc1nc([C@@](C)(N)C2CCCCC2)no1 ZINC000037367384 172005105 /nfs/dbraw/zinc/00/51/05/172005105.db2.gz SQAKQXRKIWKGHX-LBPRGKRZSA-N 0 1 223.320 2.386 10 0 BEAEMN CCc1[nH+]ccn1[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000062758381 172029726 /nfs/dbraw/zinc/02/97/26/172029726.db2.gz FAYHNMSNYWNGHR-ZJUUUORDSA-N 0 1 222.288 2.261 10 0 BEAEMN CCc1nnc([C@H](C)NC2(C(C)C)CC2)o1 ZINC000339519096 172066561 /nfs/dbraw/zinc/06/65/61/172066561.db2.gz PHMRNZMRFMPAIK-VIFPVBQESA-N 0 1 223.320 2.471 10 0 BEAEMN CCn1cccc1CN[C@@H](CO)c1ccccc1 ZINC000091127754 172209854 /nfs/dbraw/zinc/20/98/54/172209854.db2.gz SBOZQUGKTZBHKY-HNNXBMFYSA-N 0 1 244.338 2.331 10 0 BEAEMN CCn1ccnc1N[C@H](C)c1cccnc1 ZINC000050608453 172227887 /nfs/dbraw/zinc/22/78/87/172227887.db2.gz PYXSXEOKZJYIMQ-SNVBAGLBSA-N 0 1 216.288 2.471 10 0 BEAEMN CCn1ccnc1[C@H](NC)c1ccccc1 ZINC000041112565 172229115 /nfs/dbraw/zinc/22/91/15/172229115.db2.gz HYGKHWHJRHOTLK-GFCCVEGCSA-N 0 1 215.300 2.212 10 0 BEAEMN CCn1ccnc1[C@H](N)c1cccc(C)c1 ZINC000011735122 172229667 /nfs/dbraw/zinc/22/96/67/172229667.db2.gz JZPVQEWNDSFHRT-GFCCVEGCSA-N 0 1 215.300 2.260 10 0 BEAEMN CN(C)C[C@@H](O)c1c(F)cccc1Cl ZINC000019784793 172484082 /nfs/dbraw/zinc/48/40/82/172484082.db2.gz FRPLFABZLMAWQN-SECBINFHSA-N 0 1 217.671 2.074 10 0 BEAEMN C[N@H+]1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000075906311 173048211 /nfs/dbraw/zinc/04/82/11/173048211.db2.gz RWQKPTJLFCESDB-LBPRGKRZSA-N 0 1 219.284 2.194 10 0 BEAEMN CN1CC[C@@H](Nc2cc(F)cc(F)c2F)C1 ZINC000061989925 173125861 /nfs/dbraw/zinc/12/58/61/173125861.db2.gz YDGJPGXFEHJXDH-MRVPVSSYSA-N 0 1 230.233 2.220 10 0 BEAEMN C[N@H+]1CCc2cc([O-])c(Cl)cc2CC1 ZINC000027317402 173171591 /nfs/dbraw/zinc/17/15/91/173171591.db2.gz KUIFDRGVGCKHAW-UHFFFAOYSA-N 0 1 211.692 2.076 10 0 BEAEMN C[N@@H+]1CCc2cc([O-])c(Cl)cc2CC1 ZINC000027317402 173171588 /nfs/dbraw/zinc/17/15/88/173171588.db2.gz KUIFDRGVGCKHAW-UHFFFAOYSA-N 0 1 211.692 2.076 10 0 BEAEMN CNC(C)(C)c1nc(-c2cccs2)no1 ZINC000061151303 173320823 /nfs/dbraw/zinc/32/08/23/173320823.db2.gz ZAHXNNOYIKETBL-UHFFFAOYSA-N 0 1 223.301 2.253 10 0 BEAEMN CNCc1csc(-c2ccc(C)o2)n1 ZINC000041009962 173393404 /nfs/dbraw/zinc/39/34/04/173393404.db2.gz VTRQRUDSVRNUGV-UHFFFAOYSA-N 0 1 208.286 2.431 10 0 BEAEMN CNCc1csc(Cc2csc(C)n2)n1 ZINC000055296493 173393426 /nfs/dbraw/zinc/39/34/26/173393426.db2.gz OCGHEXCPRWETNY-UHFFFAOYSA-N 0 1 239.369 2.218 10 0 BEAEMN CNCc1csc(COc2ccccc2)n1 ZINC000054438116 173393801 /nfs/dbraw/zinc/39/38/01/173393801.db2.gz MZWJGJDITRKHRF-UHFFFAOYSA-N 0 1 234.324 2.442 10 0 BEAEMN CNCc1csc(N2CCC[C@@H](C)C2)n1 ZINC000062214909 173394043 /nfs/dbraw/zinc/39/40/43/173394043.db2.gz SZEJTIVFCMVEAR-SECBINFHSA-N 0 1 225.361 2.099 10 0 BEAEMN CNCc1nc(N2CCC[C@@H]2C)ccc1Cl ZINC000051398779 173395054 /nfs/dbraw/zinc/39/50/54/173395054.db2.gz LSQCXAONZIGFQB-VIFPVBQESA-N 0 1 239.750 2.443 10 0 BEAEMN CNCc1nnc(-c2cccc(Cl)c2)o1 ZINC000050615485 173397391 /nfs/dbraw/zinc/39/73/91/173397391.db2.gz WTIWSDWKAZMBDL-UHFFFAOYSA-N 0 1 223.663 2.109 10 0 BEAEMN CNCc1ncc(-c2ccc(OC)c(F)c2)o1 ZINC000077371996 173397485 /nfs/dbraw/zinc/39/74/85/173397485.db2.gz UHOKVGUUUAIEIH-UHFFFAOYSA-N 0 1 236.246 2.209 10 0 BEAEMN CNCc1ncc(-c2ccc(OC)c(OC)c2)o1 ZINC000077420111 173397829 /nfs/dbraw/zinc/39/78/29/173397829.db2.gz SOWWOAAZBYWOGS-UHFFFAOYSA-N 0 1 248.282 2.078 10 0 BEAEMN COCCNC1=NC2(CS1)CCCCC2 ZINC000053097508 174330336 /nfs/dbraw/zinc/33/03/36/174330336.db2.gz XOIIPKXPRDIONV-UHFFFAOYSA-N 0 1 228.361 2.028 10 0 BEAEMN COCCNCC(=O)c1c(C)cc(C)cc1C ZINC000049827491 174332145 /nfs/dbraw/zinc/33/21/45/174332145.db2.gz LCLAHKPJOISHCB-UHFFFAOYSA-N 0 1 235.327 2.031 10 0 BEAEMN COCCNCc1cccc(F)c1Cl ZINC000083349136 174335388 /nfs/dbraw/zinc/33/53/88/174335388.db2.gz LEBOKINPYUXGMN-UHFFFAOYSA-N 0 1 217.671 2.215 10 0 BEAEMN COCC[C@@H](N)c1nc2ccccc2s1 ZINC000052785310 174392560 /nfs/dbraw/zinc/39/25/60/174392560.db2.gz DSMNBQYRLQQLNT-MRVPVSSYSA-N 0 1 222.313 2.333 10 0 BEAEMN COC[C@H](C)Nc1ccc2c[nH]nc2c1 ZINC000053174408 174552966 /nfs/dbraw/zinc/55/29/66/174552966.db2.gz GUUONDYMDVGTID-QMMMGPOBSA-N 0 1 205.261 2.010 10 0 BEAEMN COc1ccc(C(=O)[C@@H]2CCCCN2)cc1 ZINC000058327565 175065700 /nfs/dbraw/zinc/06/57/00/175065700.db2.gz HYUMMIOGCXBFRA-LBPRGKRZSA-N 0 1 219.284 2.020 10 0 BEAEMN COc1ccc(C(=O)[C@H](N)CC(C)C)cc1F ZINC000036164230 175066265 /nfs/dbraw/zinc/06/62/65/175066265.db2.gz WZGDDZJENYOHCI-LLVKDONJSA-N 0 1 239.290 2.390 10 0 BEAEMN COc1ccc(F)cc1[C@@H](N)c1ccoc1 ZINC000035381477 175132512 /nfs/dbraw/zinc/13/25/12/175132512.db2.gz SWAPXSKPSRJFRY-LBPRGKRZSA-N 0 1 221.231 2.475 10 0 BEAEMN COc1ccc([C@H]2CSCCN2)c(OC)c1 ZINC000041282390 175197040 /nfs/dbraw/zinc/19/70/40/175197040.db2.gz HHDSZHZDCRZLJJ-LLVKDONJSA-N 0 1 239.340 2.081 10 0 BEAEMN COc1ccc2c(c1Br)CNCC2 ZINC000082790866 175220208 /nfs/dbraw/zinc/22/02/08/175220208.db2.gz BKPATNRHYNVDDE-UHFFFAOYSA-N 0 1 242.116 2.103 10 0 BEAEMN COc1ccc2oc([C@@H](N)C(C)C)nc2c1 ZINC000075854412 175231487 /nfs/dbraw/zinc/23/14/87/175231487.db2.gz KBHXAWDNSDWYPR-NSHDSACASA-N 0 1 220.272 2.492 10 0 BEAEMN COc1cccc(-c2nnc(CNC(C)C)o2)c1 ZINC000050616080 175237791 /nfs/dbraw/zinc/23/77/91/175237791.db2.gz IGVVDDPMCSFXCR-UHFFFAOYSA-N 0 1 247.298 2.243 10 0 BEAEMN COc1cccc([C@@H]2NC(C)(C)CO2)c1 ZINC000049813773 175290567 /nfs/dbraw/zinc/29/05/67/175290567.db2.gz NXXHYHWBGBUARG-LLVKDONJSA-N 0 1 207.273 2.092 10 0 BEAEMN COc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)CC1CC1 ZINC000077427143 175350972 /nfs/dbraw/zinc/35/09/72/175350972.db2.gz OUHNWZWCXDAFMM-CYBMUJFWSA-N 0 1 249.310 2.163 10 0 BEAEMN COc1ccccc1[C@H](N)c1cncc(F)c1 ZINC000049576103 175353400 /nfs/dbraw/zinc/35/34/00/175353400.db2.gz GFYPKHVYGDHJNU-CYBMUJFWSA-N 0 1 232.258 2.277 10 0 BEAEMN C[C@@H]1CCCC[C@@]1(N)c1noc(C(F)(F)F)n1 ZINC000036765001 176083520 /nfs/dbraw/zinc/08/35/20/176083520.db2.gz RIATYVIFUOZEIP-MUWHJKNJSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@@H]1CCC[C@@H](OCc2cc(CN)no2)C1 ZINC000052631985 176125415 /nfs/dbraw/zinc/12/54/15/176125415.db2.gz BVUWMWPRONQTCB-MWLCHTKSSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@@H]1CCC[C@@](N)(C(=O)OC(C)(C)C)C1 ZINC000041036802 176133910 /nfs/dbraw/zinc/13/39/10/176133910.db2.gz JXVAXIFUJGXWIA-SKDRFNHKSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@@H]1CCN(c2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 ZINC000054534572 176182779 /nfs/dbraw/zinc/18/27/79/176182779.db2.gz YKHPTCLKGIWNLV-SECBINFHSA-N 0 1 246.310 2.115 10 0 BEAEMN C[C@@H]1CNC[C@H](c2c(F)cccc2F)O1 ZINC000036673306 176329427 /nfs/dbraw/zinc/32/94/27/176329427.db2.gz FGNSIBYOQDJJOR-GMSGAONNSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H](c1ccc[nH]1)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000095089102 177035393 /nfs/dbraw/zinc/03/53/93/177035393.db2.gz BHBUOQLEZBJNCL-MWLCHTKSSA-N 0 1 222.288 2.015 10 0 BEAEMN C[C@H](c1cccs1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089038 177049019 /nfs/dbraw/zinc/04/90/19/177049019.db2.gz JEOARMHSRANYEO-NXEZZACHSA-N 0 1 211.330 2.266 10 0 BEAEMN C[C@@H]1CN(C[C@H]2C[C@@H](C)CCC2=O)C[C@H](C)O1 ZINC000053925118 177068687 /nfs/dbraw/zinc/06/86/87/177068687.db2.gz OEZTUDVIXGAWGE-WUHRBBMRSA-N 0 1 239.359 2.101 10 0 BEAEMN C[C@@H]1[C@@H](C)CCC[N@H+]1CC(C)(C)C(=O)[O-] ZINC000051288568 177096010 /nfs/dbraw/zinc/09/60/10/177096010.db2.gz SMQAVAQBLDCVMZ-VHSXEESVSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000125168106 177129944 /nfs/dbraw/zinc/12/99/44/177129944.db2.gz BRGVGINVVDYODH-RYUDHWBXSA-N 0 1 240.391 2.412 10 0 BEAEMN C[C@H]1CCC[C@](N)(C(=O)OC(C)(C)C)C1 ZINC000041036801 177143352 /nfs/dbraw/zinc/14/33/52/177143352.db2.gz JXVAXIFUJGXWIA-JOYOIKCWSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@H]1CCc2nc(C3(N)CC3)sc2C1 ZINC000083345584 177209951 /nfs/dbraw/zinc/20/99/51/177209951.db2.gz ZWCBFTAFUZYUDL-ZETCQYMHSA-N 0 1 208.330 2.216 10 0 BEAEMN C[C@H](CC(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)(C)C ZINC000070076313 177217772 /nfs/dbraw/zinc/21/77/72/177217772.db2.gz WDIXRAPXDIIKIX-UTUOFQBUSA-N 0 1 240.391 2.268 10 0 BEAEMN C[C@H](NC1=N[C@@H](C)CS1)c1ccco1 ZINC000035739651 177303413 /nfs/dbraw/zinc/30/34/13/177303413.db2.gz PMNILDFQAOZPHW-YUMQZZPRSA-N 0 1 210.302 2.422 10 0 BEAEMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccnc2C(=O)[O-])C1 ZINC000062749674 177314982 /nfs/dbraw/zinc/31/49/82/177314982.db2.gz QYKNQEGXDFHZDW-PHIMTYICSA-N 0 1 248.326 2.258 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000306853698 487657844 /nfs/dbraw/zinc/65/78/44/487657844.db2.gz UCQJCGMRUHELRL-VWYCJHECSA-N 0 1 213.321 2.074 10 0 BEAEMN Cc1cnc([C@@H](C)N[C@@H]2CCC[C@H]2O)s1 ZINC000226272493 487699583 /nfs/dbraw/zinc/69/95/83/487699583.db2.gz BBTXPKPFUISQPG-OPRDCNLKSA-N 0 1 226.345 2.016 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1ncnn1C(C)C ZINC000233307511 487708665 /nfs/dbraw/zinc/70/86/65/487708665.db2.gz NKUSAKOAJWXHMQ-GHMZBOCLSA-N 0 1 222.336 2.137 10 0 BEAEMN CCC[C@H](C(=O)Nc1ncc(C)s1)N(C)C ZINC000161659925 323555126 /nfs/dbraw/zinc/55/51/26/323555126.db2.gz UWBDTEAMSCZGEL-SECBINFHSA-N 0 1 241.360 2.120 10 0 BEAEMN CC(C)Oc1ccn(-c2ccncc2)n1 ZINC000536954419 323962727 /nfs/dbraw/zinc/96/27/27/323962727.db2.gz MZPIBXFQHDCMSC-UHFFFAOYSA-N 0 1 203.245 2.055 10 0 BEAEMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000302449684 487964195 /nfs/dbraw/zinc/96/41/95/487964195.db2.gz XGVFBNDKLHFNPG-GHMZBOCLSA-N 0 1 248.326 2.400 10 0 BEAEMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000302449688 487964342 /nfs/dbraw/zinc/96/43/42/487964342.db2.gz XGVFBNDKLHFNPG-QWRGUYRKSA-N 0 1 248.326 2.400 10 0 BEAEMN CC(C)c1cnc(CNCC[C@@H](C)O)s1 ZINC000134849827 325379349 /nfs/dbraw/zinc/37/93/49/325379349.db2.gz IJDVUORGNOQMCT-SECBINFHSA-N 0 1 228.361 2.127 10 0 BEAEMN C[C@H]1CN(Cc2cccc(F)c2N)CCS1 ZINC000123517623 488074289 /nfs/dbraw/zinc/07/42/89/488074289.db2.gz ZWBQVSTXQBGTKG-VIFPVBQESA-N 0 1 240.347 2.345 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000394780104 488155246 /nfs/dbraw/zinc/15/52/46/488155246.db2.gz GAVTVIMRFWTDCF-FVCCEPFGSA-N 0 1 239.359 2.465 10 0 BEAEMN CNc1cc(C)nc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000074934150 490309836 /nfs/dbraw/zinc/30/98/36/490309836.db2.gz JNDLNSYUYIZWDP-UWVGGRQHSA-N 0 1 234.347 2.309 10 0 BEAEMN c1ncc(CN2CCS[C@H]3CCCC[C@@H]32)cn1 ZINC000131311514 490631879 /nfs/dbraw/zinc/63/18/79/490631879.db2.gz QOXGOFCNUFCHOP-STQMWFEESA-N 0 1 249.383 2.337 10 0 BEAEMN C[C@@H]1CCCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000652442038 491085144 /nfs/dbraw/zinc/08/51/44/491085144.db2.gz DBECRZOFQLDYHO-LLVKDONJSA-N 0 1 248.326 2.402 10 0 BEAEMN CCCC1(CCC)NC2(COC2)CCO1 ZINC000757146311 582529721 /nfs/dbraw/zinc/52/97/21/582529721.db2.gz KEXJXUQWRDXQDJ-UHFFFAOYSA-N 0 1 213.321 2.062 10 0 BEAEMN CCCC[N@H+]1CC[C@H](CC(=O)[O-])C[C@H]1C ZINC000252475017 520596400 /nfs/dbraw/zinc/59/64/00/520596400.db2.gz QPCJRHIFMVADPO-MNOVXSKESA-N 0 1 213.321 2.362 10 0 BEAEMN CCOC(=O)[C@]1(C)CCc2n[nH]c(CC)c2C1 ZINC000504725016 528111959 /nfs/dbraw/zinc/11/19/59/528111959.db2.gz MGONPSCCVUCPSR-CYBMUJFWSA-N 0 1 236.315 2.030 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1ccoc1C(=O)OC ZINC000224877604 535495156 /nfs/dbraw/zinc/49/51/56/535495156.db2.gz NCQLENVFLLFVAP-MWLCHTKSSA-N 0 1 237.299 2.344 10 0 BEAEMN CC(=O)c1ccc2oc(=O)cc(C)c2c1O ZINC000013306523 571696814 /nfs/dbraw/zinc/69/68/14/571696814.db2.gz UMNMVZFOKSPTJN-UHFFFAOYSA-N 0 1 218.208 2.010 10 0 endogenous,in-man BEAEMN C[C@@H]1CC(C)(C)C[C@]2(C1)NC1(COC1)CCO2 ZINC000757145331 582527470 /nfs/dbraw/zinc/52/74/70/582527470.db2.gz IILYLCOBYVLYNI-BXUZGUMPSA-N 0 1 239.359 2.308 10 0 BEAEMN Cc1cn2c(n1)N[C@H](C)C[C@H]2C(F)(F)F ZINC000235352277 582565827 /nfs/dbraw/zinc/56/58/27/582565827.db2.gz OOQNSERUCVUAMU-VDTYLAMSSA-N 0 1 219.210 2.499 10 0 BEAEMN Cc1cn2c(n1)NCC[C@@H]2[C@@H]1CC[C@@H](C)O1 ZINC000235385957 582575669 /nfs/dbraw/zinc/57/56/69/582575669.db2.gz QYXWRBVLRMVIJG-MXWKQRLJSA-N 0 1 221.304 2.116 10 0 BEAEMN Cc1cn2c(n1)N[C@H](C(F)(F)F)C[C@@H]2C ZINC000235574022 582594793 /nfs/dbraw/zinc/59/47/93/582594793.db2.gz WJQPHLOVNIYWCX-BQBZGAKWSA-N 0 1 219.210 2.499 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](c1cccnc1)CC2 ZINC000236044843 582637410 /nfs/dbraw/zinc/63/74/10/582637410.db2.gz OZTNZVJVLMKQTD-LLVKDONJSA-N 0 1 214.272 2.143 10 0 BEAEMN Cc1cn2c(n1)NCC[C@@H]2c1nccs1 ZINC000236045959 582637840 /nfs/dbraw/zinc/63/78/40/582637840.db2.gz SVNICRWPSFLOMS-MRVPVSSYSA-N 0 1 220.301 2.053 10 0 BEAEMN CC(C(=O)C(C)(F)F)=C(O)C(C)(C)C ZINC000395455388 583058378 /nfs/dbraw/zinc/05/83/78/583058378.db2.gz JCFQFTDJDQZJGN-LURJTMIESA-N 0 1 206.232 2.462 10 0 BEAEMN C[C@H](C(N)=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000217828086 583172271 /nfs/dbraw/zinc/17/22/71/583172271.db2.gz LTXQPVHWEQKVQY-DTWKUNHWSA-N 0 1 240.734 2.207 10 0 BEAEMN O=C1[C@@H]2CCCC2=NN1c1cccnc1Cl ZINC000129808318 591410295 /nfs/dbraw/zinc/41/02/95/591410295.db2.gz UHUVEYLCLDVGCY-SSDOTTSWSA-N 0 1 235.674 2.238 10 0 BEAEMN O=c1c2c([nH]n1-c1cccnc1Cl)CCC2 ZINC000129808318 591410298 /nfs/dbraw/zinc/41/02/98/591410298.db2.gz UHUVEYLCLDVGCY-SSDOTTSWSA-N 0 1 235.674 2.238 10 0 BEAEMN CC1(C)C[C@@H]1c1noc(CNCC2CC2)n1 ZINC000225478166 635408363 /nfs/dbraw/zinc/40/83/63/635408363.db2.gz PMFZAFRYWSHVIV-SECBINFHSA-N 0 1 221.304 2.083 10 0 BEAEMN O=C([O-])C[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000309319473 631992580 /nfs/dbraw/zinc/99/25/80/631992580.db2.gz AAPWSBCAMCURHH-FWYAXHSGSA-N 0 1 231.723 2.316 10 0 BEAEMN FC1(CNC[C@@H]2OCCc3sccc32)CC1 ZINC000309526947 632470432 /nfs/dbraw/zinc/47/04/32/632470432.db2.gz CJLGVYMHUSHDCV-JTQLQIEISA-N 0 1 241.331 2.454 10 0 BEAEMN C[C@@H](NCc1nc(Cl)cs1)[C@H]1CCCO1 ZINC000309087942 632635467 /nfs/dbraw/zinc/63/54/67/632635467.db2.gz ABZZGSMEQFEEGS-HTQZYQBOSA-N 0 1 246.763 2.454 10 0 BEAEMN CO[C@@H]1CC[C@H](N[C@@H](C)c2ncc(C)o2)C1 ZINC000309941502 632685926 /nfs/dbraw/zinc/68/59/26/632685926.db2.gz BUESIIWGWMIWLY-GARJFASQSA-N 0 1 224.304 2.201 10 0 BEAEMN C[C@@H](NCc1ncc(C(C)(C)C)s1)[C@H](C)O ZINC000309952317 633973706 /nfs/dbraw/zinc/97/37/06/633973706.db2.gz GSDZFDZNCZADGZ-BDAKNGLRSA-N 0 1 242.388 2.300 10 0 BEAEMN CCN1CCC[C@@H](Nc2nccnc2Cl)C1 ZINC000043538092 638556234 /nfs/dbraw/zinc/55/62/34/638556234.db2.gz LQVDSAPBUYKPDN-SECBINFHSA-N 0 1 240.738 2.026 10 0 BEAEMN OC[C@H]1NCCOc2c(Cl)cc(Cl)cc21 ZINC000675074456 641325800 /nfs/dbraw/zinc/32/58/00/641325800.db2.gz XQRODNOAWWGEMY-SECBINFHSA-N 0 1 248.109 2.009 10 0 BEAEMN Cc1nonc1CNCC1CCC(C)CC1 ZINC000069795230 642907373 /nfs/dbraw/zinc/90/73/73/642907373.db2.gz SLIPRZXXZDSGGT-UHFFFAOYSA-N 0 1 223.320 2.294 10 0 BEAEMN Nc1cccc([C@H]2CCn3ccnc3N2)c1 ZINC000236387097 643660424 /nfs/dbraw/zinc/66/04/24/643660424.db2.gz XFDGMNJEUSSGIF-LLVKDONJSA-N 0 1 214.272 2.022 10 0 BEAEMN CC1(O)CCN(CCSC(F)(F)F)CC1 ZINC000123709441 645921054 /nfs/dbraw/zinc/92/10/54/645921054.db2.gz XKPDZXWMVMIFQP-UHFFFAOYSA-N 0 1 243.294 2.086 10 0 BEAEMN C=C/C=C/CCN1CCCC[C@H]1C(=O)OC ZINC000713746311 712471148 /nfs/dbraw/zinc/47/11/48/712471148.db2.gz MOAPLIBOXJKBJQ-ITKZLYELSA-N 0 1 223.316 2.146 10 0 BEAEMN COCC1CC(N[C@H](C)c2cscn2)C1 ZINC000714006160 712477153 /nfs/dbraw/zinc/47/71/53/712477153.db2.gz GBMJECLKBMVZEH-XNWIYYODSA-N 0 1 226.345 2.219 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722694341 711466429 /nfs/dbraw/zinc/46/64/29/711466429.db2.gz UMPCXZHBQOSYFZ-GMTAPVOTSA-N 0 1 213.321 2.074 10 0 BEAEMN Fc1ccc2c(c1)CC[C@H]2NCc1cn[nH]c1 ZINC000134003465 711981922 /nfs/dbraw/zinc/98/19/22/711981922.db2.gz GIVSGMCLMYYNNJ-CYBMUJFWSA-N 0 1 231.274 2.326 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@H](C)C2CCCC2)n1 ZINC000700466586 711993384 /nfs/dbraw/zinc/99/33/84/711993384.db2.gz WOIMZPKHJFZXES-SNVBAGLBSA-N 0 1 235.331 2.159 10 0 BEAEMN CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000700480751 711994520 /nfs/dbraw/zinc/99/45/20/711994520.db2.gz UYQFVBZKMZQBQW-SNVBAGLBSA-N 0 1 237.347 2.405 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC[C@@H]2C)n1 ZINC000700465627 711995797 /nfs/dbraw/zinc/99/57/97/711995797.db2.gz FGBUDKLGDKCGBF-ONGXEEELSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCCC[C@@H]2C)n1 ZINC000700465612 711995878 /nfs/dbraw/zinc/99/58/78/711995878.db2.gz FGBUDKLGDKCGBF-GXSJLCMTSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCCC[C@H]2C)n1 ZINC000700465623 711995922 /nfs/dbraw/zinc/99/59/22/711995922.db2.gz FGBUDKLGDKCGBF-MWLCHTKSSA-N 0 1 235.331 2.159 10 0 BEAEMN C[C@H](O)[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC000705553844 712132492 /nfs/dbraw/zinc/13/24/92/712132492.db2.gz GNLYZDGRNFBGFQ-BQBZGAKWSA-N 0 1 249.688 2.477 10 0 BEAEMN CC(C)[C@@H](C)N1CCc2sc(CN)nc2C1 ZINC000709698016 712216159 /nfs/dbraw/zinc/21/61/59/712216159.db2.gz VMQRLIAPZTYLTQ-SECBINFHSA-N 0 1 239.388 2.004 10 0 BEAEMN C[C@@H](N[C@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595219 712856459 /nfs/dbraw/zinc/85/64/59/712856459.db2.gz JUIUYZXMRBPONE-NEPJUHHUSA-N 0 1 234.347 2.355 10 0 BEAEMN Cc1ncc(C[N@H+](C)C(C)(C)CC(=O)[O-])s1 ZINC000703311009 977162127 /nfs/dbraw/zinc/16/21/27/977162127.db2.gz DQXHOXJUTMZEJH-UHFFFAOYSA-N 0 1 242.344 2.137 10 0 BEAEMN CC(C)C1(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000687530406 954617819 /nfs/dbraw/zinc/61/78/19/954617819.db2.gz VHALDBVOQOGSNH-RYUDHWBXSA-N 0 1 239.359 2.465 10 0 BEAEMN Cc1ncccc1CNc1cc(C(=O)[O-])cc[nH+]1 ZINC000705560646 954936129 /nfs/dbraw/zinc/93/61/29/954936129.db2.gz COWWOCMOAJWBGB-UHFFFAOYSA-N 0 1 243.266 2.095 10 0 BEAEMN CC[N@@H+](CCC(C)(C)C)[C@H](C)C(=O)[O-] ZINC000707956730 954987658 /nfs/dbraw/zinc/98/76/58/954987658.db2.gz JWURHKOMBCCQDR-SECBINFHSA-N 0 1 201.310 2.218 10 0 BEAEMN C[C@@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1C(=O)[O-] ZINC000710495473 955026720 /nfs/dbraw/zinc/02/67/20/955026720.db2.gz NQSZMSHSEZBQHX-PWSUYJOCSA-N 0 1 223.316 2.139 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000718088120 955154686 /nfs/dbraw/zinc/15/46/86/955154686.db2.gz WWUVTJJMUZNZJJ-QWRGUYRKSA-N 0 1 237.299 2.273 10 0 BEAEMN C[C@@H]1[C@H](C)C[N@@H+](CCC(C)(C)C(=O)[O-])[C@H]1C ZINC000399815008 973242271 /nfs/dbraw/zinc/24/22/71/973242271.db2.gz YDPURPAEGSDAOW-MXWKQRLJSA-N 0 1 227.348 2.464 10 0 BEAEMN CO[C@@H](C)C[N@@H+](CCC(C)(C)C(=O)[O-])C(C)C ZINC000688113393 976169813 /nfs/dbraw/zinc/16/98/13/976169813.db2.gz CUOACUPWRDSLRZ-NSHDSACASA-N 0 1 245.363 2.233 10 0 BEAEMN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635246 976379386 /nfs/dbraw/zinc/37/93/86/976379386.db2.gz TVBHSVUNQYWRSM-OUAUKWLOSA-N 0 1 225.332 2.218 10 0 BEAEMN CC[C@H](C)C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC000694004026 976662046 /nfs/dbraw/zinc/66/20/46/976662046.db2.gz JPYRMTDAFCTRPH-VIFPVBQESA-N 0 1 201.310 2.218 10 0 BEAEMN CC1CC(C[N@@H+](C)C(C)(C)CC(=O)[O-])C1 ZINC000694008171 976662310 /nfs/dbraw/zinc/66/23/10/976662310.db2.gz NLCRMVPRHVSNNU-UHFFFAOYSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H](CNc1cc(C(=O)[O-])cc[nH+]1)CC(F)F ZINC000697683187 976857980 /nfs/dbraw/zinc/85/79/80/976857980.db2.gz FIEQOWYLIJGQAE-ZETCQYMHSA-N 0 1 244.241 2.483 10 0 BEAEMN Cc1cc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])ccn1 ZINC000703493078 977166861 /nfs/dbraw/zinc/16/68/61/977166861.db2.gz PHYNIFNCUNTNOA-ZDUSSCGKSA-N 0 1 248.326 2.219 10 0 BEAEMN Cc1cc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])ccn1 ZINC000703493077 977167226 /nfs/dbraw/zinc/16/72/26/977167226.db2.gz PHYNIFNCUNTNOA-CYBMUJFWSA-N 0 1 248.326 2.219 10 0 BEAEMN O=C([O-])c1coc(Cn2cc[nH+]c2C2CC2)c1 ZINC000704187278 977222597 /nfs/dbraw/zinc/22/25/97/977222597.db2.gz LMUHOHWPWHSVBW-UHFFFAOYSA-N 0 1 232.239 2.100 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000706039061 977305771 /nfs/dbraw/zinc/30/57/71/977305771.db2.gz RREHHZIMSSKQMP-JMIGTNQCSA-N 0 1 223.316 2.282 10 0 BEAEMN O=C([O-])c1coc(C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000706325606 977312858 /nfs/dbraw/zinc/31/28/58/977312858.db2.gz LXPBXVWBAYZHOP-SSDOTTSWSA-N 0 1 245.225 2.065 10 0 BEAEMN CC[N@@H+](CC1(C(=O)[O-])CC1)[C@@H](C)C(C)C ZINC000706688082 977358266 /nfs/dbraw/zinc/35/82/66/977358266.db2.gz NGZOJOSOAJWQNZ-JTQLQIEISA-N 0 1 213.321 2.218 10 0 BEAEMN CC(C)(CC[N@H+]1C[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000706759083 977360882 /nfs/dbraw/zinc/36/08/82/977360882.db2.gz BJMFNIWOKYQPCN-GHMZBOCLSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000706774718 977361729 /nfs/dbraw/zinc/36/17/29/977361729.db2.gz NDAOBPKTRYJXOE-IUCAKERBSA-N 0 1 237.274 2.364 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000706823744 977363391 /nfs/dbraw/zinc/36/33/91/977363391.db2.gz BQZCMMDRXAKUDH-SFYZADRCSA-N 0 1 223.272 2.126 10 0 BEAEMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2)[C@H]1C ZINC000706911487 977367669 /nfs/dbraw/zinc/36/76/69/977367669.db2.gz BABVMQCCRZCBFI-SCVCMEIPSA-N 0 1 219.284 2.153 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1F ZINC000707021591 977373557 /nfs/dbraw/zinc/37/35/57/977373557.db2.gz WTNGBNMVZVNRLH-JOYOIKCWSA-N 0 1 235.258 2.118 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000707025257 977373703 /nfs/dbraw/zinc/37/37/03/977373703.db2.gz FDZFSOJRPWDBNE-PELKAZGASA-N 0 1 235.258 2.118 10 0 BEAEMN O=C([O-])c1cccc(C[N@H+]2CCC23CCCC3)n1 ZINC000707215011 977376563 /nfs/dbraw/zinc/37/65/63/977376563.db2.gz MUOFVUAMMWKKAC-UHFFFAOYSA-N 0 1 246.310 2.298 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC=C(F)C1 ZINC000710052006 977477290 /nfs/dbraw/zinc/47/72/90/977477290.db2.gz BJPZYJPMZUUZLH-JTQLQIEISA-N 0 1 215.268 2.045 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CCC=C(F)C1 ZINC000710052006 977477283 /nfs/dbraw/zinc/47/72/83/977477283.db2.gz BJPZYJPMZUUZLH-JTQLQIEISA-N 0 1 215.268 2.045 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccsc2)C[C@]1(C)C(=O)[O-] ZINC000710156695 977487544 /nfs/dbraw/zinc/48/75/44/977487544.db2.gz BNZVNADKTDLNMX-CABZTGNLSA-N 0 1 239.340 2.291 10 0 BEAEMN CC(C)=CC[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711662653 977564850 /nfs/dbraw/zinc/56/48/50/977564850.db2.gz ITJRFOMTADVTTD-YPMHNXCESA-N 0 1 223.316 2.282 10 0 BEAEMN O=C([O-])c1cc[nH+]c(NCC2CC=CC2)c1 ZINC000717292637 977891922 /nfs/dbraw/zinc/89/19/22/977891922.db2.gz KRDOOIKLWVOVNK-UHFFFAOYSA-N 0 1 218.256 2.158 10 0 BEAEMN Cc1coc(C[N@H+](CC(=O)[O-])CC(C)C)c1 ZINC000718053826 977936671 /nfs/dbraw/zinc/93/66/71/977936671.db2.gz QUUGRVTXMMXXKH-UHFFFAOYSA-N 0 1 225.288 2.131 10 0 BEAEMN C[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@]1(C)C(=O)[O-] ZINC000718636616 977975216 /nfs/dbraw/zinc/97/52/16/977975216.db2.gz KYJOPDFBLPCYMH-ONGXEEELSA-N 0 1 249.301 2.464 10 0 BEAEMN O=C([O-])c1cncc(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000721520928 978115381 /nfs/dbraw/zinc/11/53/81/978115381.db2.gz DRYOORQESAQNKY-UHFFFAOYSA-N 0 1 246.310 2.156 10 0 BEAEMN Nc1cccc(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043423591 1171287199 /nfs/dbraw/zinc/28/71/99/1171287199.db2.gz DJCCSNZPTDHEGK-KBPBESRZSA-N 0 1 232.327 2.022 10 0 BEAEMN C[C@H]1CCCC[C@H]1OCC(F)(F)CN ZINC000685956496 538903000 /nfs/dbraw/zinc/90/30/00/538903000.db2.gz VOGUYJIVHGPBRE-DTWKUNHWSA-N 0 1 207.264 2.176 10 0 BEAEMN CC(C)CC(=O)CNCc1ccccc1 ZINC000685960332 538907842 /nfs/dbraw/zinc/90/78/42/538907842.db2.gz FXJVFWVGVTWPRT-UHFFFAOYSA-N 0 1 205.301 2.391 10 0 BEAEMN CCCCC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000685961129 538908281 /nfs/dbraw/zinc/90/82/81/538908281.db2.gz CEGFIUUZEOVKAQ-AWEZNQCLSA-N 0 1 248.370 2.205 10 0 BEAEMN CC[C@H](C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000685961402 538908623 /nfs/dbraw/zinc/90/86/23/538908623.db2.gz HPZTZJKEQFPDGX-JSGCOSHPSA-N 0 1 248.370 2.061 10 0 BEAEMN Cc1ccnc(N)c1/C=C/Br ZINC000685964334 538911014 /nfs/dbraw/zinc/91/10/14/538911014.db2.gz ARPDKQVCOAIXSK-DUXPYHPUSA-N 0 1 213.078 2.338 10 0 BEAEMN COC(=O)C[C@@H]1NCCc2cc(Cl)ccc21 ZINC000258151834 349493201 /nfs/dbraw/zinc/49/32/01/349493201.db2.gz FCDDDMJUWQDWNR-NSHDSACASA-N 0 1 239.702 2.090 10 0 BEAEMN CCCC[N@H+]1CCC[C@H](CC(=O)[O-])CC1 ZINC000390116667 398157183 /nfs/dbraw/zinc/15/71/83/398157183.db2.gz CQZZGRQNNYFXFB-NSHDSACASA-N 0 1 213.321 2.363 10 0 BEAEMN Cc1cc(NC(=O)[C@@H](N)c2ccccc2)ccn1 ZINC000019861866 178143962 /nfs/dbraw/zinc/14/39/62/178143962.db2.gz HVJJZLOLJIHCCE-ZDUSSCGKSA-N 0 1 241.294 2.029 10 0 BEAEMN c1nnc([C@H]2CCCCN2[C@@H]2C=CCCC2)[nH]1 ZINC000248591495 187330716 /nfs/dbraw/zinc/33/07/16/187330716.db2.gz RTPJCMUFWGKKPA-VXGBXAGGSA-N 0 1 232.331 2.440 10 0 BEAEMN Cc1ccc(-c2c[nH]c(CN)n2)cc1C ZINC000036870900 178317224 /nfs/dbraw/zinc/31/72/24/178317224.db2.gz QFLVABWDPIKAPE-UHFFFAOYSA-N 0 1 201.273 2.152 10 0 BEAEMN Cc1ccc(C2=NN(C)C(=O)C2)c(C)c1 ZINC000100231368 178321671 /nfs/dbraw/zinc/32/16/71/178321671.db2.gz KZSJCDGPUQGYSK-UHFFFAOYSA-N 0 1 202.257 2.410 10 0 BEAEMN Cc1nc(-c2ccc(C)cc2)c(N)n1C ZINC000104848836 178333548 /nfs/dbraw/zinc/33/35/48/178333548.db2.gz ZKHNIGJJOLCOOA-UHFFFAOYSA-N 0 1 201.273 2.286 10 0 BEAEMN Cc1ccc(-c2nnc(NN)s2)cc1C ZINC000028001724 178340976 /nfs/dbraw/zinc/34/09/76/178340976.db2.gz CPIRJLGXWWKLND-UHFFFAOYSA-N 0 1 220.301 2.108 10 0 BEAEMN CCCN(CC)c1cc(C(=O)[O-])cc[nH+]1 ZINC000037095372 538961426 /nfs/dbraw/zinc/96/14/26/538961426.db2.gz KKYCASDSPOVFMA-UHFFFAOYSA-N 0 1 208.261 2.016 10 0 BEAEMN Clc1ncccc1NCc1cnc[nH]1 ZINC000054764457 398283073 /nfs/dbraw/zinc/28/30/73/398283073.db2.gz XCZBUNMTRNYCGM-UHFFFAOYSA-N 0 1 208.652 2.070 10 0 BEAEMN FC(F)c1n[nH]c(=S)n1-c1ccccc1 ZINC000043463601 538980917 /nfs/dbraw/zinc/98/09/17/538980917.db2.gz CJYGJXHFDNZALW-UHFFFAOYSA-N 0 1 227.239 2.494 10 0 BEAEMN CCCCCC(=O)C1=C(O)C(C)(C)OC1 ZINC000392787397 539028170 /nfs/dbraw/zinc/02/81/70/539028170.db2.gz BCCXSEVTUWLBPI-SECBINFHSA-N 0 1 212.289 2.130 10 0 BEAEMN Cn1cccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979365 398304113 /nfs/dbraw/zinc/30/41/13/398304113.db2.gz GFFHVKIIEUQWBM-UONOGXRCSA-N 0 1 234.343 2.169 10 0 BEAEMN Clc1csc(NCc2cnc[nH]2)n1 ZINC000165059915 342872170 /nfs/dbraw/zinc/87/21/70/342872170.db2.gz PFKGCLUDUBNVID-UHFFFAOYSA-N 0 1 214.681 2.132 10 0 BEAEMN C[C@H]1[C@@H](O)CCCN1Cc1nc2ccccc2o1 ZINC000335598230 398341783 /nfs/dbraw/zinc/34/17/83/398341783.db2.gz VSNDFPRJNZWEPE-JQWIXIFHSA-N 0 1 246.310 2.173 10 0 BEAEMN CCC[C@@]1(C)CNC[C@@H](C(F)(F)F)O1 ZINC000230704035 346915584 /nfs/dbraw/zinc/91/55/84/346915584.db2.gz WQTCGIHCVFJRSK-YUMQZZPRSA-N 0 1 211.227 2.096 10 0 BEAEMN CCC[C@]1(C)CNC[C@H](C(F)(F)F)O1 ZINC000230704044 346915852 /nfs/dbraw/zinc/91/58/52/346915852.db2.gz WQTCGIHCVFJRSK-HTQZYQBOSA-N 0 1 211.227 2.096 10 0 BEAEMN NCc1nc(Cc2ccccc2)cs1 ZINC000011631693 343012781 /nfs/dbraw/zinc/01/27/81/343012781.db2.gz STBNTJUHOSEJFU-UHFFFAOYSA-N 0 1 204.298 2.193 10 0 BEAEMN Nc1ccc2[nH]c(N3CCCCC3)nc2c1 ZINC000032500371 187229960 /nfs/dbraw/zinc/22/99/60/187229960.db2.gz NKAPXWIFLZNFAE-UHFFFAOYSA-N 0 1 216.288 2.135 10 0 BEAEMN O=c1[nH]c(NCC2CC2)cc2ccccc21 ZINC000037757127 343074812 /nfs/dbraw/zinc/07/48/12/343074812.db2.gz XKBVAQUPSJVERO-UHFFFAOYSA-N 0 1 214.268 2.350 10 0 BEAEMN CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C(=O)[O-] ZINC000062750819 346928250 /nfs/dbraw/zinc/92/82/50/346928250.db2.gz FKFVYJSMYBWUDP-GMTAPVOTSA-N 0 1 213.321 2.216 10 0 BEAEMN CCS[C@@H]1CCC[C@@H]1N1CCC(=O)CC1 ZINC000233968791 343215287 /nfs/dbraw/zinc/21/52/87/343215287.db2.gz UEDMDHHFDWIXRS-NWDGAFQWSA-N 0 1 227.373 2.326 10 0 BEAEMN CC(C)Cn1c(N)nc2cc(F)ccc21 ZINC000036899203 187250058 /nfs/dbraw/zinc/25/00/58/187250058.db2.gz GZXGDPLRKQMDPS-UHFFFAOYSA-N 0 1 207.252 2.414 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)CC(C)C ZINC000051361382 343256319 /nfs/dbraw/zinc/25/63/19/343256319.db2.gz MJETWEMPCQQTLX-UHFFFAOYSA-N 0 1 225.288 2.374 10 0 BEAEMN CC[C@H](N[C@H](C)c1ncn(C)n1)[C@H]1CC1(C)C ZINC000397584890 262927241 /nfs/dbraw/zinc/92/72/41/262927241.db2.gz GZUZMAMSWRVYAJ-MXWKQRLJSA-N 0 1 236.363 2.290 10 0 BEAEMN O=C(c1[nH]nc2ccccc21)N1C[C@H]2CCC[C@H]21 ZINC000349350915 136342823 /nfs/dbraw/zinc/34/28/23/136342823.db2.gz PPASWMJMUHJBQZ-BXKDBHETSA-N 0 1 241.294 2.187 10 0 BEAEMN CN[C@@]1(c2nccs2)CCS[C@@H]1C ZINC000234443682 343505591 /nfs/dbraw/zinc/50/55/91/343505591.db2.gz VRMOKNWSYUUGBK-APPZFPTMSA-N 0 1 214.359 2.083 10 0 BEAEMN N[C@@H](Cc1ccccc1)C(=O)Nc1cccs1 ZINC000257680488 259363508 /nfs/dbraw/zinc/36/35/08/259363508.db2.gz JKQREEMUJCQMCB-NSHDSACASA-N 0 1 246.335 2.257 10 0 BEAEMN Cc1nnsc1[C@@H]1NCCc2ccsc21 ZINC000712545566 537792208 /nfs/dbraw/zinc/79/22/08/537792208.db2.gz RLZDINSYISRBPP-QMMMGPOBSA-N 0 1 237.353 2.143 10 0 BEAEMN COc1ccc(CN[C@@H](C)c2cccs2)nn1 ZINC000283238819 187343519 /nfs/dbraw/zinc/34/35/19/187343519.db2.gz UPWYOXCXRZTTSH-VIFPVBQESA-N 0 1 249.339 2.398 10 0 BEAEMN Cc1cc(=S)n(-c2cc(C)ccn2)[nH]1 ZINC000052305716 343633561 /nfs/dbraw/zinc/63/35/61/343633561.db2.gz PMPODETXVIBORG-UHFFFAOYSA-N 0 1 205.286 2.173 10 0 BEAEMN CNc1cc(NCC(F)(F)F)nc(C2CC2)n1 ZINC000126912361 343787593 /nfs/dbraw/zinc/78/75/93/343787593.db2.gz BXTYLWIFJWRENW-UHFFFAOYSA-N 0 1 246.236 2.370 10 0 BEAEMN C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446376 343793753 /nfs/dbraw/zinc/79/37/53/343793753.db2.gz QMNJMLCCYQHCSA-DGCLKSJQSA-N 0 1 233.311 2.024 10 0 BEAEMN C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446371 343793768 /nfs/dbraw/zinc/79/37/68/343793768.db2.gz QMNJMLCCYQHCSA-WCQYABFASA-N 0 1 233.311 2.024 10 0 BEAEMN C[C@H](CO)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000128383230 346981062 /nfs/dbraw/zinc/98/10/62/346981062.db2.gz JQGULXLRORLSKV-JTQLQIEISA-N 0 1 227.735 2.400 10 0 BEAEMN COC(=O)CCc1c(C)n[nH]c1C1CCC1 ZINC000409441033 343854896 /nfs/dbraw/zinc/85/48/96/343854896.db2.gz PJKCIMDCVZMLIA-UHFFFAOYSA-N 0 1 222.288 2.091 10 0 BEAEMN CC(C)c1n[nH]c(-c2ccncc2)c1CCO ZINC000409441263 343855706 /nfs/dbraw/zinc/85/57/06/343855706.db2.gz QLUZWFPJXVRRPJ-UHFFFAOYSA-N 0 1 231.299 2.130 10 0 BEAEMN COC(=O)c1c(C)n[nH]c1-c1ccsc1 ZINC000409439072 343846652 /nfs/dbraw/zinc/84/66/52/343846652.db2.gz GMSMFWUUPBTESU-UHFFFAOYSA-N 0 1 222.269 2.233 10 0 BEAEMN CCc1n[nH]c(C2CCCC2)c1CCC(N)=O ZINC000409438255 343850161 /nfs/dbraw/zinc/85/01/61/343850161.db2.gz BTYZALBUPDLLIG-UHFFFAOYSA-N 0 1 235.331 2.048 10 0 BEAEMN COC(=O)CCc1c(C)n[nH]c1CC(C)C ZINC000409441361 343858965 /nfs/dbraw/zinc/85/89/65/343858965.db2.gz RHCATPBRLUMOQS-UHFFFAOYSA-N 0 1 224.304 2.022 10 0 BEAEMN CC(C)Cc1nc(C2(N)CCCCC2)no1 ZINC000041053011 187354947 /nfs/dbraw/zinc/35/49/47/187354947.db2.gz IZLSRCDTFLTSIP-UHFFFAOYSA-N 0 1 223.320 2.386 10 0 BEAEMN CN(c1c(N)cncc1Br)C1CC1 ZINC000234259918 343922135 /nfs/dbraw/zinc/92/21/35/343922135.db2.gz PMVUOVPNRNPMRZ-UHFFFAOYSA-N 0 1 242.120 2.025 10 0 BEAEMN CC1(C)CN([C@@H]2CCCCC2=O)CCS1 ZINC000135214920 343968542 /nfs/dbraw/zinc/96/85/42/343968542.db2.gz GDQBUFLMEXYMRU-SNVBAGLBSA-N 0 1 227.373 2.326 10 0 BEAEMN CC(C)(C)Oc1cnc(N)cc1OC1CC1 ZINC000095723892 187287672 /nfs/dbraw/zinc/28/76/72/187287672.db2.gz VFYAPDCETVTFTQ-UHFFFAOYSA-N 0 1 222.288 2.382 10 0 BEAEMN CSC[C@@H](C)Nc1ncc(C)cc1N ZINC000127250007 344079506 /nfs/dbraw/zinc/07/95/06/344079506.db2.gz GREZMXOQEBFSFW-MRVPVSSYSA-N 0 1 211.334 2.136 10 0 BEAEMN C[C@@H]1CC[C@@H](Nc2nc[nH]c(=O)c2Cl)C1 ZINC000165980165 344264331 /nfs/dbraw/zinc/26/43/31/344264331.db2.gz URJOUDOENAJFHY-RNFRBKRXSA-N 0 1 227.695 2.024 10 0 BEAEMN C[C@H]1C[C@H](C)N(Cc2ccc(C=O)o2)C1 ZINC000158062388 344354620 /nfs/dbraw/zinc/35/46/20/344354620.db2.gz RTNCXOAHXBJOAF-UWVGGRQHSA-N 0 1 207.273 2.322 10 0 BEAEMN OCc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000084882471 344481704 /nfs/dbraw/zinc/48/17/04/344481704.db2.gz RICDCKXIDGEMKB-UHFFFAOYSA-N 0 1 225.251 2.117 10 0 BEAEMN C[C@@H](C[N@@H+](C)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536788 344518692 /nfs/dbraw/zinc/51/86/92/344518692.db2.gz QUURYKHPWPTLCP-VHSXEESVSA-N 0 1 249.301 2.464 10 0 BEAEMN C[C@H](C[N@@H+](C)C[C@@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536791 344518696 /nfs/dbraw/zinc/51/86/96/344518696.db2.gz QUURYKHPWPTLCP-ZJUUUORDSA-N 0 1 249.301 2.464 10 0 BEAEMN CCn1ccnc1NC1CCSCC1 ZINC000220795952 344583236 /nfs/dbraw/zinc/58/32/36/344583236.db2.gz WMZDMUQBZYVNIR-UHFFFAOYSA-N 0 1 211.334 2.211 10 0 BEAEMN CCOC(=O)Cc1cc(C#N)c(Cl)cc1O ZINC000396144897 344618427 /nfs/dbraw/zinc/61/84/27/344618427.db2.gz FTOXXHOHKWJUJD-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+](C)Cc1ccc(F)cc1 ZINC000104270388 187291951 /nfs/dbraw/zinc/29/19/51/187291951.db2.gz QCSSKEXACMPZIE-JXMROGBWSA-N 0 1 237.274 2.288 10 0 BEAEMN Cc1ccc(NC(=O)c2cnccc2N)c(F)c1 ZINC000126846296 178754366 /nfs/dbraw/zinc/75/43/66/178754366.db2.gz OSFADFLCSJXGBY-UHFFFAOYSA-N 0 1 245.257 2.364 10 0 BEAEMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(C)(C)C ZINC000235353776 344893392 /nfs/dbraw/zinc/89/33/92/344893392.db2.gz ABJFUDFLKDLFCX-NXEZZACHSA-N 0 1 213.321 2.218 10 0 BEAEMN COc1cc(F)cc2c(Cl)n[nH]c21 ZINC000166610185 344940058 /nfs/dbraw/zinc/94/00/58/344940058.db2.gz RWWNUMNLKQHIAL-UHFFFAOYSA-N 0 1 200.600 2.364 10 0 BEAEMN Cc1cc2[nH]c(N)[nH+]c2cc1Br ZINC000145009088 344983201 /nfs/dbraw/zinc/98/32/01/344983201.db2.gz WKHREOPKVCHIMR-UHFFFAOYSA-N 0 1 226.077 2.216 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](C(F)F)C[C@H]2C ZINC000720941608 537891922 /nfs/dbraw/zinc/89/19/22/537891922.db2.gz RVSCVDFGAHXXSL-RNFRBKRXSA-N 0 1 201.220 2.202 10 0 BEAEMN Cc1cn2c(n1)N[C@H](C(F)F)C[C@H]2C ZINC000720941610 537892144 /nfs/dbraw/zinc/89/21/44/537892144.db2.gz RVSCVDFGAHXXSL-RQJHMYQMSA-N 0 1 201.220 2.202 10 0 BEAEMN CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1O ZINC000253290316 345641818 /nfs/dbraw/zinc/64/18/18/345641818.db2.gz PQRVAWUIQXVUHR-TZMCWYRMSA-N 0 1 237.318 2.419 10 0 BEAEMN COc1ccc([C@H]2NC[C@H](C)S2)cc1 ZINC000033878028 345704174 /nfs/dbraw/zinc/70/41/74/345704174.db2.gz CUYFTBAWLQPXHY-KWQFWETISA-N 0 1 209.314 2.419 10 0 BEAEMN C[C@@H]1Cc2nc[nH]c2[C@H](c2ccccc2)N1 ZINC000034217285 345819800 /nfs/dbraw/zinc/81/98/00/345819800.db2.gz HPBPDFQEUXPCQU-SKDRFNHKSA-N 0 1 213.284 2.033 10 0 BEAEMN CCOC(=O)c1cc(=O)c2c(C)cccc2[nH]1 ZINC000140484049 345855012 /nfs/dbraw/zinc/85/50/12/345855012.db2.gz UTACDTXZQDNBNM-UHFFFAOYSA-N 0 1 231.251 2.426 10 0 BEAEMN Cc1oc(=S)[nH]c1-c1ccc(F)cn1 ZINC000235850570 345947550 /nfs/dbraw/zinc/94/75/50/345947550.db2.gz WEEAPAUZFULIDT-UHFFFAOYSA-N 0 1 210.233 2.473 10 0 BEAEMN Cc1cccc(CNCc2ccc[nH]2)n1 ZINC000051789767 179094176 /nfs/dbraw/zinc/09/41/76/179094176.db2.gz QHIBOBUYYGYTRR-UHFFFAOYSA-N 0 1 201.273 2.008 10 0 BEAEMN Cc1nc(CC(=O)c2cnsn2)sc1C ZINC000161523091 346491077 /nfs/dbraw/zinc/49/10/77/346491077.db2.gz DJIVWBPNPDEBAD-UHFFFAOYSA-N 0 1 239.325 2.037 10 0 BEAEMN Cc1cccc(C[C@H](N)c2ncccn2)c1 ZINC000037467242 179105962 /nfs/dbraw/zinc/10/59/62/179105962.db2.gz LZCIZERQBBUPQL-LBPRGKRZSA-N 0 1 213.284 2.028 10 0 BEAEMN Cc1cccc(N)c1NC(=O)CN1CCC[C@H]1C ZINC000037909986 179120288 /nfs/dbraw/zinc/12/02/88/179120288.db2.gz BHACPHODLKZICS-LLVKDONJSA-N 0 1 247.342 2.000 10 0 BEAEMN CC(C)c1cc2nc(C(F)F)nn2c(O)c1 ZINC000725243044 537989708 /nfs/dbraw/zinc/98/97/08/537989708.db2.gz HJAWJIKOLAXERH-UHFFFAOYSA-N 0 1 227.214 2.496 10 0 BEAEMN Cc1ccccc1CNCc1ccncn1 ZINC000054789592 179283232 /nfs/dbraw/zinc/28/32/32/179283232.db2.gz QVRGOHZXMLRQMX-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000251779166 362913900 /nfs/dbraw/zinc/91/39/00/362913900.db2.gz FKFVYJSMYBWUDP-VWYCJHECSA-N 0 1 213.321 2.216 10 0 BEAEMN CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@H]1C(=O)[O-] ZINC000251779164 362914238 /nfs/dbraw/zinc/91/42/38/362914238.db2.gz FKFVYJSMYBWUDP-MXWKQRLJSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@H]([C@H](C)C(=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000222029108 349990223 /nfs/dbraw/zinc/99/02/23/349990223.db2.gz OIEYNGLRKAEMRI-OUAUKWLOSA-N 0 1 213.321 2.218 10 0 BEAEMN CCCC[C@@H]1C[C@H](C(=O)[O-])[C@H]2CCC[N@@H+]12 ZINC000669382970 538006860 /nfs/dbraw/zinc/00/68/60/538006860.db2.gz QCORUKFZTKNLCS-OUAUKWLOSA-N 0 1 211.305 2.114 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000616574853 349082244 /nfs/dbraw/zinc/08/22/44/349082244.db2.gz ZERXVSHVLKLRSC-MCIONIFRSA-N 0 1 245.322 2.229 10 0 BEAEMN CCOC(=O)[C@H](C)N(C)CC1CC(C)(C)C1 ZINC000599328300 349157022 /nfs/dbraw/zinc/15/70/22/349157022.db2.gz XDHCQJNIDPPTCO-JTQLQIEISA-N 0 1 227.348 2.306 10 0 BEAEMN Cc1nc([C@@H](N)CCc2ccccc2)no1 ZINC000061625802 180040480 /nfs/dbraw/zinc/04/04/80/180040480.db2.gz AMBRZCOQELEVTD-NSHDSACASA-N 0 1 217.272 2.011 10 0 BEAEMN Cc1nc([C@H](N)[C@H](C)c2ccccc2)no1 ZINC000041046479 180052757 /nfs/dbraw/zinc/05/27/57/180052757.db2.gz IKCCSWLAGTYITH-LDYMZIIASA-N 0 1 217.272 2.182 10 0 BEAEMN Cc1nc(=O)c2sc3ccccc3c2[nH]1 ZINC000021774805 180073442 /nfs/dbraw/zinc/07/34/42/180073442.db2.gz PREGKDOSQNHJSS-UHFFFAOYSA-N 0 1 216.265 2.446 10 0 BEAEMN Cc1nc2cc(NCc3ncc[nH]3)ccc2[nH]1 ZINC000049715400 180083550 /nfs/dbraw/zinc/08/35/50/180083550.db2.gz UQSBRTMZGXQKPQ-UHFFFAOYSA-N 0 1 227.271 2.207 10 0 BEAEMN Cc1nc2cccc(C(F)(F)F)n2c1N ZINC000299889381 180099906 /nfs/dbraw/zinc/09/99/06/180099906.db2.gz IMGFIWJFTKJGNX-UHFFFAOYSA-N 0 1 215.178 2.244 10 0 BEAEMN Cc1nc[nH]c1CN[C@H]1CCOc2ccccc21 ZINC000054795674 180121038 /nfs/dbraw/zinc/12/10/38/180121038.db2.gz XHXVREDYLHXSOF-LBPRGKRZSA-N 0 1 243.310 2.332 10 0 BEAEMN Cc1nccc(N[C@@H](C)[C@@H](C)O)c1Cl ZINC000307142585 180203352 /nfs/dbraw/zinc/20/33/52/180203352.db2.gz KFPHZGVSVRXMRS-POYBYMJQSA-N 0 1 214.696 2.225 10 0 BEAEMN Cc1cc(CNCc2ccnc(C)n2)c(C)n1C ZINC000052790386 180189895 /nfs/dbraw/zinc/18/98/95/180189895.db2.gz XANCZNWPCSKFOQ-UHFFFAOYSA-N 0 1 244.342 2.030 10 0 BEAEMN Nc1cccc(-c2nc(C(F)(F)F)n[nH]2)c1 ZINC000072236800 350231818 /nfs/dbraw/zinc/23/18/18/350231818.db2.gz UVOIGZHJDCBVGJ-UHFFFAOYSA-N 0 1 228.177 2.073 10 0 BEAEMN Cc1ncsc1[C@@H](C)NCc1cnn(C)c1 ZINC000041054774 180327195 /nfs/dbraw/zinc/32/71/95/180327195.db2.gz LXBWXOXAERNTFU-MRVPVSSYSA-N 0 1 236.344 2.036 10 0 BEAEMN CC(=O)Nc1ccccc1[C@@H]1COCCCN1C ZINC000616597130 350640909 /nfs/dbraw/zinc/64/09/09/350640909.db2.gz NGXQSKPYSQZZJS-AWEZNQCLSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(=O)Nc1cccc([C@@H]2COCCCN2C)c1 ZINC000616598456 350671408 /nfs/dbraw/zinc/67/14/08/350671408.db2.gz ZTMRUMCRKWVLGZ-AWEZNQCLSA-N 0 1 248.326 2.038 10 0 BEAEMN CC[N@H+]1CCOCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616599213 350737708 /nfs/dbraw/zinc/73/77/08/350737708.db2.gz QFYGBOQXAIIRGP-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)(C)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000616613862 350816826 /nfs/dbraw/zinc/81/68/26/350816826.db2.gz CHSRHAGGISJANB-SECBINFHSA-N 0 1 208.309 2.130 10 0 BEAEMN COc1cc(F)cc(O)c1Br ZINC000215838305 350882053 /nfs/dbraw/zinc/88/20/53/350882053.db2.gz NYMLUUSOLNXNOE-UHFFFAOYSA-N 0 1 221.025 2.302 10 0 BEAEMN CCN1CCCCC[C@@H]1c1ncccn1 ZINC000616624359 351091723 /nfs/dbraw/zinc/09/17/23/351091723.db2.gz ZDTNFJZNGHYLSA-LLVKDONJSA-N 0 1 205.305 2.414 10 0 BEAEMN CC(C)(C)N1CCOC[C@H]1c1cccc(CO)c1 ZINC000616641149 351147661 /nfs/dbraw/zinc/14/76/61/351147661.db2.gz BMIYOIJZNXTOMG-AWEZNQCLSA-N 0 1 249.354 2.351 10 0 BEAEMN CC(C)N1CCOC[C@H]1c1cccc(CCO)c1 ZINC000616641564 351149187 /nfs/dbraw/zinc/14/91/87/351149187.db2.gz IXPCMAMXOMCAMQ-HNNXBMFYSA-N 0 1 249.354 2.003 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@H]1c1ccccc1C(=O)[O-] ZINC000616642200 351153963 /nfs/dbraw/zinc/15/39/63/351153963.db2.gz ZSTFEOCXSOKWAS-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](c2ccccc2N)C1 ZINC000616644668 351162130 /nfs/dbraw/zinc/16/21/30/351162130.db2.gz GYWASAJUDZUYFJ-CYBMUJFWSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)N1CCO[C@@H](c2cccc(N)c2)C1 ZINC000616645139 351167002 /nfs/dbraw/zinc/16/70/02/351167002.db2.gz NHZIMNANQZPJCC-CYBMUJFWSA-N 0 1 220.316 2.051 10 0 BEAEMN CN1CCCOC[C@H]1c1cccc(F)c1 ZINC000616650101 351173576 /nfs/dbraw/zinc/17/35/76/351173576.db2.gz XCVUIWRTXSUTPZ-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CC[N@H+]1CCCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616650175 351173684 /nfs/dbraw/zinc/17/36/84/351173684.db2.gz VXRTWNMDKIFDTA-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)[N@@H+]1CCOC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616636943 351130685 /nfs/dbraw/zinc/13/06/85/351130685.db2.gz IGKPMKKQXDTCIP-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616636943 351130688 /nfs/dbraw/zinc/13/06/88/351130688.db2.gz IGKPMKKQXDTCIP-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN CCN1c2ccccc2CC[C@@H]1c1nnc[nH]1 ZINC000616668527 351230189 /nfs/dbraw/zinc/23/01/89/351230189.db2.gz LIOVLXDBAGPNKZ-GFCCVEGCSA-N 0 1 228.299 2.319 10 0 BEAEMN CCN1c2ccccc2CC[C@@H]1c1c[nH]nn1 ZINC000616668300 351230361 /nfs/dbraw/zinc/23/03/61/351230361.db2.gz ICZBGKMYRMWYRQ-CYBMUJFWSA-N 0 1 228.299 2.319 10 0 BEAEMN CCN1C[C@@H](c2cnc[nH]2)Nc2ccccc21 ZINC000616680362 351246893 /nfs/dbraw/zinc/24/68/93/351246893.db2.gz CXOVQVDENDBKMY-LBPRGKRZSA-N 0 1 228.299 2.403 10 0 BEAEMN CN1C[C@@H](c2cnc[nH]2)Nc2ccccc21 ZINC000616681148 351248456 /nfs/dbraw/zinc/24/84/56/351248456.db2.gz NFEUBFODSHYHBN-NSHDSACASA-N 0 1 214.272 2.013 10 0 BEAEMN CCN1CCc2ccccc2[C@@H]1c1cncnc1 ZINC000616678893 351249321 /nfs/dbraw/zinc/24/93/21/351249321.db2.gz OGTJORDHLMLTFG-HNNXBMFYSA-N 0 1 239.322 2.444 10 0 BEAEMN CC(C)N1CCc2ccccc2[C@@H]1c1nnc[nH]1 ZINC000616678780 351249368 /nfs/dbraw/zinc/24/93/68/351249368.db2.gz MGODUOSUGHEPCC-CYBMUJFWSA-N 0 1 242.326 2.161 10 0 BEAEMN CC(C)N1c2ccccc2NC[C@H]1c1nnc[nH]1 ZINC000616682665 351253467 /nfs/dbraw/zinc/25/34/67/351253467.db2.gz JOYKKPLSCWGMLU-LBPRGKRZSA-N 0 1 243.314 2.186 10 0 BEAEMN CN1CCO[C@H](c2ccccc2F)CC1 ZINC000616686985 351257497 /nfs/dbraw/zinc/25/74/97/351257497.db2.gz OHXFXMZZECTCJX-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CN1CCOC[C@H](c2cccc(Cl)c2)C1 ZINC000616657189 351198391 /nfs/dbraw/zinc/19/83/91/351198391.db2.gz BLPREEKMHQPSCB-LLVKDONJSA-N 0 1 225.719 2.386 10 0 BEAEMN CC(C)(C)[N@H+]1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616655925 351201840 /nfs/dbraw/zinc/20/18/40/351201840.db2.gz MRKXZEQPFVHPQK-GFCCVEGCSA-N 0 1 249.358 2.056 10 0 BEAEMN CC(C)(C)OC(=O)N1CCC[C@H]1c1cnc[nH]1 ZINC000228792211 351378078 /nfs/dbraw/zinc/37/80/78/351378078.db2.gz NJISMPAWZPTKEK-JTQLQIEISA-N 0 1 237.303 2.482 10 0 BEAEMN C[N@H+]1CCC[C@H]1c1ccccc1C(=O)[O-] ZINC000005966479 351346579 /nfs/dbraw/zinc/34/65/79/351346579.db2.gz PURIRTNUIAQQNH-NSHDSACASA-N 0 1 205.257 2.152 10 0 BEAEMN C[C@@H]1CSC[C@]12NCC[C@@H](C)S2 ZINC000307153493 351506572 /nfs/dbraw/zinc/50/65/72/351506572.db2.gz JYUUFYPDMVRQCO-IWSPIJDZSA-N 0 1 203.376 2.181 10 0 BEAEMN CC1(C)CC[C@H]1[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000307121329 351489549 /nfs/dbraw/zinc/48/95/49/351489549.db2.gz IXXPIYHZZABBHE-SKDRFNHKSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000252102330 363064677 /nfs/dbraw/zinc/06/46/77/363064677.db2.gz GLEUJJKLVVLIQL-VWYCJHECSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@]1([C@H](N)c2nccs2)CCCS1 ZINC000307247453 351752280 /nfs/dbraw/zinc/75/22/80/351752280.db2.gz MSMGXBNPIMDOEQ-APPZFPTMSA-N 0 1 214.359 2.429 10 0 BEAEMN N[C@H](Cc1sccc1Cl)c1cnns1 ZINC000307287576 351850585 /nfs/dbraw/zinc/85/05/85/351850585.db2.gz UYZYFWHJESDEBM-ZCFIWIBFSA-N 0 1 245.760 2.496 10 0 BEAEMN Fc1ccc(-c2n[nH]c(-c3cnccn3)n2)cc1 ZINC000040175826 352193358 /nfs/dbraw/zinc/19/33/58/352193358.db2.gz LPOUGQHKOYYIPT-UHFFFAOYSA-N 0 1 241.229 2.068 10 0 BEAEMN Fc1c(F)c(F)c([C@@H]2CCN2)c(F)c1F ZINC000044257926 352233387 /nfs/dbraw/zinc/23/33/87/352233387.db2.gz YGZLDMFLVBQBAO-VKHMYHEASA-N 0 1 223.144 2.417 10 0 in-vitro BEAEMN CSC(C)(C)CN1CCC(=O)C[C@H]1C ZINC000229113743 352586121 /nfs/dbraw/zinc/58/61/21/352586121.db2.gz GADQIWNRDHBEEB-SECBINFHSA-N 0 1 215.362 2.181 10 0 BEAEMN O=Cc1cc(Br)cc(O)c1F ZINC000307535141 352640125 /nfs/dbraw/zinc/64/01/25/352640125.db2.gz QOEIIZFYDSNZJD-UHFFFAOYSA-N 0 1 219.009 2.106 10 0 BEAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCC12CCCC2 ZINC000307534788 352640747 /nfs/dbraw/zinc/64/07/47/352640747.db2.gz HSXWRACZHBXTBN-JTQLQIEISA-N 0 1 211.305 2.116 10 0 BEAEMN COc1nc([C@H]2C[C@H](C)CCN2)cs1 ZINC000307608745 352667038 /nfs/dbraw/zinc/66/70/38/352667038.db2.gz DDWWXGGLUSATCL-HTQZYQBOSA-N 0 1 212.318 2.212 10 0 BEAEMN C[C@@H]1CO[C@@H](c2c(F)cccc2F)CN1 ZINC000036986489 187932967 /nfs/dbraw/zinc/93/29/67/187932967.db2.gz WMVBIWWNGZIJEU-GMSGAONNSA-N 0 1 213.227 2.014 10 0 BEAEMN CC1(C)CN=C(SC(F)(F)F)NC1 ZINC000307725477 353112293 /nfs/dbraw/zinc/11/22/93/353112293.db2.gz BSQVLJGKMYSQQC-UHFFFAOYSA-N 0 1 212.240 2.225 10 0 BEAEMN CC[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000134451846 538112446 /nfs/dbraw/zinc/11/24/46/538112446.db2.gz LCRBQGATSPHRLX-JTQLQIEISA-N 0 1 216.288 2.478 10 0 BEAEMN CSC[C@@H](C)Nc1ncc(N)cc1C ZINC000127222988 353265278 /nfs/dbraw/zinc/26/52/78/353265278.db2.gz CUEVXHUDIYDEEM-MRVPVSSYSA-N 0 1 211.334 2.136 10 0 BEAEMN CC(C)[C@H](N)C(=O)OCc1ccc(Cl)cc1 ZINC000049830801 188298652 /nfs/dbraw/zinc/29/86/52/188298652.db2.gz RQIOTFREEGILHW-NSHDSACASA-N 0 1 241.718 2.367 10 0 BEAEMN CC(C)(N)C(=O)c1c(F)cccc1Cl ZINC000071519467 188305785 /nfs/dbraw/zinc/30/57/85/188305785.db2.gz PSSRFQONOKBTBG-UHFFFAOYSA-N 0 1 215.655 2.399 10 0 BEAEMN CC(C)Cc1n[nH]c2c1nc(CC(C)C)[nH]c2=O ZINC000089212089 188317526 /nfs/dbraw/zinc/31/75/26/188317526.db2.gz GUBDRGCVQHTGJD-UHFFFAOYSA-N 0 1 248.330 2.043 10 0 BEAEMN N[C@@H](C(=O)NCCC1CCCC1)c1ccccc1 ZINC000037740084 188326351 /nfs/dbraw/zinc/32/63/51/188326351.db2.gz QPFOIBRVEFVDIQ-CQSZACIVSA-N 0 1 246.354 2.383 10 0 BEAEMN COc1ccc(CCN2[C@@H](C)COC[C@@H]2C)cc1 ZINC000120809486 188328819 /nfs/dbraw/zinc/32/88/19/188328819.db2.gz AGRFNBQOLVFNFY-STQMWFEESA-N 0 1 249.354 2.347 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C)CC1 ZINC000252205428 363219233 /nfs/dbraw/zinc/21/92/33/363219233.db2.gz UZTLPGPYHFJGHH-WDEREUQCSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1CC(=O)[O-] ZINC000309312530 188344608 /nfs/dbraw/zinc/34/46/08/188344608.db2.gz CHRHGGSUWUDPGF-RKDXNWHRSA-N 0 1 225.313 2.011 10 0 BEAEMN C/C=C(\CC)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000188674205 188348935 /nfs/dbraw/zinc/34/89/35/188348935.db2.gz WETQHRWQSWBRES-LFJXOHPOSA-N 0 1 248.330 2.215 10 0 BEAEMN CC(C)=CC1C(=O)N=C(CC(C)C)C1=O ZINC000100234809 188394282 /nfs/dbraw/zinc/39/42/82/188394282.db2.gz SCVBNACRSBOLRU-SECBINFHSA-N 0 1 207.273 2.165 10 0 BEAEMN CC1(Nc2c(N)cncc2Br)CC1 ZINC000232813541 353576237 /nfs/dbraw/zinc/57/62/37/353576237.db2.gz YTVQNDMCUAKSHA-UHFFFAOYSA-N 0 1 242.120 2.391 10 0 BEAEMN Fc1cccc(NCCN2CCSCC2)c1 ZINC000053374324 181002324 /nfs/dbraw/zinc/00/23/24/181002324.db2.gz IOCFNMGUCABEDW-UHFFFAOYSA-N 0 1 240.347 2.286 10 0 BEAEMN O=C([O-])[C@@H]1CCCCCC[N@H+]1C/C=C/Cl ZINC000300984025 363261014 /nfs/dbraw/zinc/26/10/14/363261014.db2.gz INGCNWMLPJCKEL-STUBTGCMSA-N 0 1 231.723 2.458 10 0 BEAEMN C[C@@H](c1nncn1C)[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000335085685 354619509 /nfs/dbraw/zinc/61/95/09/354619509.db2.gz LDCXXBKQAMRNOG-QWRGUYRKSA-N 0 1 234.347 2.141 10 0 BEAEMN C[C@@H](c1nncn1C)N1CC2(CCC2)C[C@@H]1C ZINC000335085685 354619512 /nfs/dbraw/zinc/61/95/12/354619512.db2.gz LDCXXBKQAMRNOG-QWRGUYRKSA-N 0 1 234.347 2.141 10 0 BEAEMN CC[N@H+]1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000389197800 355839617 /nfs/dbraw/zinc/83/96/17/355839617.db2.gz XUZSUFBXXMLVGJ-CYBMUJFWSA-N 0 1 236.334 2.318 10 0 BEAEMN C[C@H]1CN(CC2CC(F)(F)C2)C[C@H](C)O1 ZINC000336196818 134126769 /nfs/dbraw/zinc/12/67/69/134126769.db2.gz ZXQUDBWCRZUSFU-IUCAKERBSA-N 0 1 219.275 2.141 10 0 BEAEMN COc1nscc1[C@@H]1CCC[C@@H](C)N1 ZINC000675059512 538484425 /nfs/dbraw/zinc/48/44/25/538484425.db2.gz QRSKRXJRXVHEOK-APPZFPTMSA-N 0 1 212.318 2.355 10 0 BEAEMN Nc1cccc2c1CNC[C@@H]2C(F)(F)F ZINC000675056397 538478207 /nfs/dbraw/zinc/47/82/07/538478207.db2.gz PKRYYBUUOZLNJP-QMMMGPOBSA-N 0 1 216.206 2.018 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000675061344 538487681 /nfs/dbraw/zinc/48/76/81/538487681.db2.gz ZERXVSHVLKLRSC-MJBXVCDLSA-N 0 1 245.322 2.229 10 0 BEAEMN COc1nsc(OC)c1CNC(C)(C)C ZINC000675075327 538508831 /nfs/dbraw/zinc/50/88/31/538508831.db2.gz MGHWSNYGZQFENH-UHFFFAOYSA-N 0 1 230.333 2.048 10 0 BEAEMN Fc1cccc([C@@H]2C[C@H](F)CN2)c1F ZINC000675082623 538523522 /nfs/dbraw/zinc/52/35/22/538523522.db2.gz QJGSIERRBPZAFW-RCOVLWMOSA-N 0 1 201.191 2.337 10 0 BEAEMN Cc1ccc2nc(N3CCC[C@H](CO)C3)[nH]c2c1 ZINC000096638721 538614355 /nfs/dbraw/zinc/61/43/55/538614355.db2.gz ZYZVSZMFPNNDCL-NSHDSACASA-N 0 1 245.326 2.080 10 0 BEAEMN CCN(Cc1ncccc1C(=O)OC)C(C)C ZINC000304166753 357158291 /nfs/dbraw/zinc/15/82/91/357158291.db2.gz JSIHDZANKAUCQT-UHFFFAOYSA-N 0 1 236.315 2.099 10 0 BEAEMN Cc1nc([C@@H]2CCCN2CCCCO)cs1 ZINC000189831465 357673416 /nfs/dbraw/zinc/67/34/16/357673416.db2.gz IRINHZAHFZZHAA-LBPRGKRZSA-N 0 1 240.372 2.361 10 0 BEAEMN Cc1cccc([C@@H](C)N2CCCN(C)C(=O)C2)c1 ZINC000191074516 357747117 /nfs/dbraw/zinc/74/71/17/357747117.db2.gz AKYDPVYIKIZLPI-CYBMUJFWSA-N 0 1 246.354 2.220 10 0 BEAEMN CS[C@@H](C)CNc1nc(C)ccc1N ZINC000169041488 358013798 /nfs/dbraw/zinc/01/37/98/358013798.db2.gz UMLCWOFQNHQHLM-QMMMGPOBSA-N 0 1 211.334 2.136 10 0 BEAEMN CCC(C)(C)C(=O)N1CCCN(C2CC2)CC1 ZINC000171208204 134256012 /nfs/dbraw/zinc/25/60/12/134256012.db2.gz PXBIZWAKVDLQRT-UHFFFAOYSA-N 0 1 238.375 2.119 10 0 BEAEMN NC(=O)C=C(O)c1ccc(-c2ccccc2)cc1 ZINC000584612656 358276387 /nfs/dbraw/zinc/27/63/87/358276387.db2.gz WANWWGMXDOSOFI-UHFFFAOYSA-N 0 1 239.274 2.412 10 0 BEAEMN Cc1nnc(CN[C@H](C)C2(C)CC2)s1 ZINC000134719374 325373402 /nfs/dbraw/zinc/37/34/02/325373402.db2.gz QWDVOCRGHWDJRO-SSDOTTSWSA-N 0 1 211.334 2.125 10 0 BEAEMN CC(C)CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126337183 358549217 /nfs/dbraw/zinc/54/92/17/358549217.db2.gz UKZANPPFVLFVKZ-AWEZNQCLSA-N 0 1 235.327 2.422 10 0 BEAEMN CC(C)c1nc2c(n1C)CC[N@@H+](CCCF)C2 ZINC000130433043 358625548 /nfs/dbraw/zinc/62/55/48/358625548.db2.gz ULNPZQDMEUKNBI-UHFFFAOYSA-N 0 1 239.338 2.261 10 0 BEAEMN CC(C)c1nc2c(n1C)CCN(CCCF)C2 ZINC000130433043 358625549 /nfs/dbraw/zinc/62/55/49/358625549.db2.gz ULNPZQDMEUKNBI-UHFFFAOYSA-N 0 1 239.338 2.261 10 0 BEAEMN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(F)cn1 ZINC000133919875 358772356 /nfs/dbraw/zinc/77/23/56/358772356.db2.gz PJQZNSVOLXNIHG-MNOVXSKESA-N 0 1 248.305 2.157 10 0 BEAEMN CCn1ccnc1NCc1cccc2c1OCO2 ZINC000050614142 358735196 /nfs/dbraw/zinc/73/51/96/358735196.db2.gz RXUXJUGOEUZSGH-UHFFFAOYSA-N 0 1 245.282 2.244 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000134254077 358784509 /nfs/dbraw/zinc/78/45/09/358784509.db2.gz VFUDTDXCOJQDPB-RISCZKNCSA-N 0 1 249.358 2.265 10 0 BEAEMN Cc1nc(CN2CCC[C@@H]2CCCO)cs1 ZINC000052762767 358793257 /nfs/dbraw/zinc/79/32/57/358793257.db2.gz UXWLAOLHPVLMBQ-GFCCVEGCSA-N 0 1 240.372 2.188 10 0 BEAEMN c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)[nH]n1 ZINC000136732010 358885867 /nfs/dbraw/zinc/88/58/67/358885867.db2.gz SCAUICDZXNZOQZ-GFCCVEGCSA-N 0 1 249.358 2.381 10 0 BEAEMN C[C@@H]1[C@@H](c2ccccc2)CCN1[C@H]1CCOC1=O ZINC000246560595 359146576 /nfs/dbraw/zinc/14/65/76/359146576.db2.gz UTNCXEZIOWVBIZ-XBFCOCLRSA-N 0 1 245.322 2.180 10 0 BEAEMN COc1c(CNCC2=CCCCC2)c(C)nn1C ZINC000379581384 359554082 /nfs/dbraw/zinc/55/40/82/359554082.db2.gz LKEHFQVXELFJKE-UHFFFAOYSA-N 0 1 249.358 2.327 10 0 BEAEMN O=C1CSC(SC2CCCC2)=N1 ZINC000306490217 360198812 /nfs/dbraw/zinc/19/88/12/360198812.db2.gz YJENRZLXDYHQHY-UHFFFAOYSA-N 0 1 201.316 2.292 10 0 BEAEMN CC[C@@H](C)Nc1ncc(Cl)c(=O)[nH]1 ZINC000306527272 360368687 /nfs/dbraw/zinc/36/86/87/360368687.db2.gz WWUGPNCWRKNYOG-RXMQYKEDSA-N 0 1 201.657 2.046 10 0 BEAEMN CCn1ccnc1N[C@H]1CSC[C@H]1C ZINC000306582242 360480775 /nfs/dbraw/zinc/48/07/75/360480775.db2.gz PAQOJZBHWIGBSW-BDAKNGLRSA-N 0 1 211.334 2.066 10 0 BEAEMN CC1=NC(=S)N([C@H]2CSC[C@@H]2C)C1 ZINC000306584093 360483467 /nfs/dbraw/zinc/48/34/67/360483467.db2.gz PWQNURJVCGITRN-XPUUQOCRSA-N 0 1 214.359 2.404 10 0 BEAEMN CC(C)c1nc(C(F)(F)F)c(CN)o1 ZINC000306586058 360485807 /nfs/dbraw/zinc/48/58/07/360485807.db2.gz QZZQAUVHVNVVJR-UHFFFAOYSA-N 0 1 208.183 2.276 10 0 BEAEMN C[C@H]1CC[C@](F)(c2ccns2)CN1 ZINC000306597769 360520154 /nfs/dbraw/zinc/52/01/54/360520154.db2.gz ZVDIBQYJFKGFTN-IONNQARKSA-N 0 1 200.282 2.080 10 0 BEAEMN NC(=S)c1cc(Cl)cc(Cl)c1O ZINC000022146175 181320164 /nfs/dbraw/zinc/32/01/64/181320164.db2.gz GRAMDYSVQNVVLD-UHFFFAOYSA-N 0 1 222.096 2.333 10 0 BEAEMN C[C@@H]1CN([C@@H]2CCCCC2=O)C[C@H](C)S1 ZINC000069908926 361015241 /nfs/dbraw/zinc/01/52/41/361015241.db2.gz ADQRJWPNYLXASP-OUAUKWLOSA-N 0 1 227.373 2.324 10 0 BEAEMN CCC[C@H](N)c1nc2c(s1)COCC2 ZINC000041059340 361220047 /nfs/dbraw/zinc/22/00/47/361220047.db2.gz HRXOCWNQAWKYAZ-ZETCQYMHSA-N 0 1 212.318 2.016 10 0 BEAEMN COC(=O)c1c(F)cc(O)cc1Br ZINC000306629776 361300277 /nfs/dbraw/zinc/30/02/77/361300277.db2.gz DWJUPHZFBTZOKV-UHFFFAOYSA-N 0 1 249.035 2.080 10 0 BEAEMN c1cc2c(s1)CCN[C@@H]2c1cncs1 ZINC000306644816 541313915 /nfs/dbraw/zinc/31/39/15/541313915.db2.gz FOPDGXOYYBKUSS-JTQLQIEISA-N 0 1 222.338 2.440 10 0 BEAEMN COCCNCc1ccc(C(F)(F)F)o1 ZINC000675063100 541464661 /nfs/dbraw/zinc/46/46/61/541464661.db2.gz ZEZURDACXLLUFE-UHFFFAOYSA-N 0 1 223.194 2.034 10 0 BEAEMN CC[C@@H]1CCCC[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000387067977 368045850 /nfs/dbraw/zinc/04/58/50/368045850.db2.gz XTVKKCNWGSXLDY-SECBINFHSA-N 0 1 238.287 2.137 10 0 BEAEMN CC[C@@H]1CCCC[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000387067977 368045857 /nfs/dbraw/zinc/04/58/57/368045857.db2.gz XTVKKCNWGSXLDY-SECBINFHSA-N 0 1 238.287 2.137 10 0 BEAEMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1Cc2ccccc21 ZINC000090978058 369002765 /nfs/dbraw/zinc/00/27/65/369002765.db2.gz LXRNAHDIJJDTRZ-LBPRGKRZSA-N 0 1 233.311 2.121 10 0 BEAEMN CC[C@H](NC(=O)c1[nH]nc2c1CCCC2)C(C)C ZINC000619652720 369507986 /nfs/dbraw/zinc/50/79/86/369507986.db2.gz NYFKHDBXFHTMGE-NSHDSACASA-N 0 1 249.358 2.453 10 0 BEAEMN N[C@@H](c1c(F)cc(F)cc1F)[C@@H]1CCCO1 ZINC000019971738 181561683 /nfs/dbraw/zinc/56/16/83/181561683.db2.gz YVAJKORIHYVIOU-GXSJLCMTSA-N 0 1 231.217 2.283 10 0 BEAEMN C[C@@H]1C[C@@H]1NCc1ccncc1Br ZINC000631063952 371241130 /nfs/dbraw/zinc/24/11/30/371241130.db2.gz PDGPHGRMHKYNBW-XCBNKYQSSA-N 0 1 241.132 2.342 10 0 BEAEMN N[C@H](C(=O)NCC1CCCCC1)c1ccccc1 ZINC000037259854 181604587 /nfs/dbraw/zinc/60/45/87/181604587.db2.gz QLSJXSHGJBNYBQ-AWEZNQCLSA-N 0 1 246.354 2.383 10 0 BEAEMN F[C@H]([C@H]1CCCCN1)C(F)(F)Br ZINC000225685536 371566261 /nfs/dbraw/zinc/56/62/61/371566261.db2.gz GHFPVZVJSIAQII-PHDIDXHHSA-N 0 1 246.070 2.454 10 0 BEAEMN C[C@@H]1C[C@]2(CS1)NCC[C@@H](C)S2 ZINC000226587983 371702394 /nfs/dbraw/zinc/70/23/94/371702394.db2.gz MHVFYYARFOZKRK-HLTSFMKQSA-N 0 1 203.376 2.323 10 0 BEAEMN CCc1cccc(C(=O)C2(N)CCC2)c1 ZINC000226780005 371742957 /nfs/dbraw/zinc/74/29/57/371742957.db2.gz KNPZOIYRWIQSMD-UHFFFAOYSA-N 0 1 203.285 2.313 10 0 BEAEMN CC(C)c1c[nH+]c2ccc(C(=O)[O-])cn21 ZINC000132380977 371803353 /nfs/dbraw/zinc/80/33/53/371803353.db2.gz DXQYEEBGMMLHIS-UHFFFAOYSA-N 0 1 204.229 2.156 10 0 BEAEMN Cc1sccc1C(=O)[C@@](C)(N)C1CC1 ZINC000227879586 371950897 /nfs/dbraw/zinc/95/08/97/371950897.db2.gz PTMMIRHEHHRYKA-NSHDSACASA-N 0 1 209.314 2.367 10 0 BEAEMN CC(C)(N)C(=O)c1ccc(Br)cc1 ZINC000058327416 372011321 /nfs/dbraw/zinc/01/13/21/372011321.db2.gz BJKXQPGQCMARQG-UHFFFAOYSA-N 0 1 242.116 2.369 10 0 BEAEMN CCNC1(C(F)F)C[C@H](C)O[C@@H](C)C1 ZINC000133678362 372086441 /nfs/dbraw/zinc/08/64/41/372086441.db2.gz HNQLZEUJTBPVGI-YUMQZZPRSA-N 0 1 207.264 2.187 10 0 BEAEMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000069271545 373184274 /nfs/dbraw/zinc/18/42/74/373184274.db2.gz NAPCCAHFOLFWRQ-KGLIPLIRSA-N 0 1 247.338 2.475 10 0 BEAEMN CCNCc1c(F)c(F)c(F)c(F)c1F ZINC000035151048 170124572 /nfs/dbraw/zinc/12/45/72/170124572.db2.gz APQXTCSEGZTDEW-UHFFFAOYSA-N 0 1 225.160 2.492 10 0 BEAEMN O=Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000095917854 182876880 /nfs/dbraw/zinc/87/68/80/182876880.db2.gz QDYUAFSFWVGEJY-UHFFFAOYSA-N 0 1 230.145 2.274 10 0 BEAEMN O=c1ccc2cc(O)c3occc3c2o1 ZINC000014453136 183001428 /nfs/dbraw/zinc/00/14/28/183001428.db2.gz ZKCVFMVZXPEHMD-UHFFFAOYSA-N 0 1 202.165 2.245 10 0 in-vitro BEAEMN OC[C@@H](NC1CC1)c1cc(Cl)ccc1F ZINC000083264878 183107166 /nfs/dbraw/zinc/10/71/66/183107166.db2.gz MPWKNXPQIKLCFK-LLVKDONJSA-N 0 1 229.682 2.265 10 0 BEAEMN CCCC[S@@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000042196025 169016353 /nfs/dbraw/zinc/01/63/53/169016353.db2.gz YCBFDMPYKXAXNT-INIZCTEOSA-N 0 1 237.328 2.053 10 0 BEAEMN CCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121554176 169210675 /nfs/dbraw/zinc/21/06/75/169210675.db2.gz FTDAVDPQUTWOAC-ZWNOBZJWSA-N 0 1 241.281 2.483 10 0 BEAEMN c1nn(-c2ccccc2)nc1CNCC1CCC1 ZINC000037179384 183386102 /nfs/dbraw/zinc/38/61/02/183386102.db2.gz HQUSWLJJJHUFMR-UHFFFAOYSA-N 0 1 242.326 2.157 10 0 BEAEMN CCCOc1ccc(C(=O)CNCC)cc1 ZINC000041613213 169316807 /nfs/dbraw/zinc/31/68/07/169316807.db2.gz IVBLLOCVBOXWHV-UHFFFAOYSA-N 0 1 221.300 2.268 10 0 BEAEMN CCCSc1ccc2c(c1)NC(=O)[C@@H]2NC ZINC000036195040 169341255 /nfs/dbraw/zinc/34/12/55/169341255.db2.gz LOFXPGICHYFADK-LLVKDONJSA-N 0 1 236.340 2.401 10 0 BEAEMN CCCSc1ccc2c(c1)NC(=O)[C@H]2NC ZINC000102454754 169341675 /nfs/dbraw/zinc/34/16/75/169341675.db2.gz LOFXPGICHYFADK-NSHDSACASA-N 0 1 236.340 2.401 10 0 BEAEMN CCC[C@@H](C)[NH2+][C@@H](C)c1c(C)nc(C)[n-]c1=O ZINC000037642589 169370685 /nfs/dbraw/zinc/37/06/85/169370685.db2.gz FJWKAQOLBHWTMU-BDAKNGLRSA-N 0 1 237.347 2.226 10 0 BEAEMN O[C@H]1CCC[C@H]1CNCc1ncc(Cl)s1 ZINC000225359705 134355153 /nfs/dbraw/zinc/35/51/53/134355153.db2.gz ILXMKFQPRWERHN-YUMQZZPRSA-N 0 1 246.763 2.047 10 0 BEAEMN O=Cc1c[nH]c2ccc(Br)c(O)c12 ZINC000036468020 383876770 /nfs/dbraw/zinc/87/67/70/383876770.db2.gz PCGMEQOFYIJPBN-UHFFFAOYSA-N 0 1 240.056 2.449 10 0 BEAEMN CC(=O)Oc1cc(C)c2nc(C(C)=O)[nH]c2c1C ZINC000089194998 383941980 /nfs/dbraw/zinc/94/19/80/383941980.db2.gz LNOCPBJFQHLWOO-UHFFFAOYSA-N 0 1 246.266 2.308 10 0 BEAEMN Cc1ccc(CNCc2nc(C)ccc2O)cn1 ZINC000112716661 383945026 /nfs/dbraw/zinc/94/50/26/383945026.db2.gz IAZMDVBCGLRCJV-UHFFFAOYSA-N 0 1 243.310 2.089 10 0 BEAEMN C[C@H](NC1=N[C@H](C)CS1)c1ccco1 ZINC000035739650 384101414 /nfs/dbraw/zinc/10/14/14/384101414.db2.gz PMNILDFQAOZPHW-SFYZADRCSA-N 0 1 210.302 2.422 10 0 BEAEMN O=C([O-])[C@@H]1C[N@H+](C2CCCCC2)C[C@H]1C1CC1 ZINC000091409870 384124866 /nfs/dbraw/zinc/12/48/66/384124866.db2.gz CATVCPSIRWPRIV-QWHCGFSZSA-N 0 1 237.343 2.362 10 0 BEAEMN CC[C@](C)(O)CN[C@H](COC)c1ccc(C)o1 ZINC000119086341 384232723 /nfs/dbraw/zinc/23/27/23/384232723.db2.gz WNXJHBMDYBWXFB-YPMHNXCESA-N 0 1 241.331 2.026 10 0 BEAEMN Cn1cccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000093438481 384239044 /nfs/dbraw/zinc/23/90/44/384239044.db2.gz MMVJOMMATSFZPR-CQSZACIVSA-N 0 1 244.342 2.475 10 0 BEAEMN COCc1nc2cccc(Br)c2[nH]1 ZINC000096988519 384274347 /nfs/dbraw/zinc/27/43/47/384274347.db2.gz ALBVQPDAPGQWPI-UHFFFAOYSA-N 0 1 241.088 2.472 10 0 BEAEMN CCC[C@H](C(=O)Nc1cccc(O)c1)N(C)C ZINC000093900462 384281113 /nfs/dbraw/zinc/28/11/13/384281113.db2.gz WWORHGNIAYFXPR-GFCCVEGCSA-N 0 1 236.315 2.061 10 0 BEAEMN CCN(CC1CC1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134337268 384348099 /nfs/dbraw/zinc/34/80/99/384348099.db2.gz DDNSJPLBQLLFFO-LLVKDONJSA-N 0 1 247.342 2.088 10 0 BEAEMN CC[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000134493652 384360026 /nfs/dbraw/zinc/36/00/26/384360026.db2.gz JAABQZRULFXHOK-WDEREUQCSA-N 0 1 247.342 2.088 10 0 BEAEMN CCC1(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000134474167 384360612 /nfs/dbraw/zinc/36/06/12/384360612.db2.gz HPOVKLVIZIRTJE-SNVBAGLBSA-N 0 1 247.342 2.136 10 0 BEAEMN C[N@H+](Cc1cncs1)C[C@@H]1CCCC[C@@H]1O ZINC000134602358 384369704 /nfs/dbraw/zinc/36/97/04/384369704.db2.gz LHYBWXDTGIXENJ-JQWIXIFHSA-N 0 1 240.372 2.126 10 0 BEAEMN CN(Cc1cncs1)C[C@@H]1CCCC[C@@H]1O ZINC000134602358 384369710 /nfs/dbraw/zinc/36/97/10/384369710.db2.gz LHYBWXDTGIXENJ-JQWIXIFHSA-N 0 1 240.372 2.126 10 0 BEAEMN COC(=O)c1cc(Br)c(O)cc1C ZINC000260977020 384544197 /nfs/dbraw/zinc/54/41/97/384544197.db2.gz QOGNKCNJLNOKGW-UHFFFAOYSA-N 0 1 245.072 2.250 10 0 BEAEMN CCC[C@@](C)(N)c1nc(-c2cccnc2)no1 ZINC000036865015 384626525 /nfs/dbraw/zinc/62/65/25/384626525.db2.gz SECKWRRWZUDEBK-GFCCVEGCSA-N 0 1 232.287 2.106 10 0 BEAEMN CC1CC(c2nc(C3(N)CCCC3)no2)C1 ZINC000518184041 384776698 /nfs/dbraw/zinc/77/66/98/384776698.db2.gz VXFHPVDVEXRYNL-UHFFFAOYSA-N 0 1 221.304 2.311 10 0 BEAEMN CCOC(=O)Cc1cc(F)cc(O)c1Cl ZINC000575701077 384747764 /nfs/dbraw/zinc/74/77/64/384747764.db2.gz RYHFBIXUHOYEMT-UHFFFAOYSA-N 0 1 232.638 2.290 10 0 BEAEMN CCn1c(N)nc2cccc(Br)c21 ZINC000217061728 384902432 /nfs/dbraw/zinc/90/24/32/384902432.db2.gz HWPOTSKZHPXSFF-UHFFFAOYSA-N 0 1 240.104 2.401 10 0 BEAEMN COC(=O)[C@@H](CC(C)C)N1CC[C@@H](C(F)F)C1 ZINC000586768395 384913962 /nfs/dbraw/zinc/91/39/62/384913962.db2.gz DMXYYGOFEUDFQD-NXEZZACHSA-N 0 1 249.301 2.161 10 0 BEAEMN CC[N@@H+](CCO)Cc1cnc(CC(C)C)s1 ZINC000127976709 384977231 /nfs/dbraw/zinc/97/72/31/384977231.db2.gz VRXAOTQPUGQGDV-UHFFFAOYSA-N 0 1 242.388 2.156 10 0 BEAEMN CCN(CCO)Cc1cnc(CC(C)C)s1 ZINC000127976709 384977246 /nfs/dbraw/zinc/97/72/46/384977246.db2.gz VRXAOTQPUGQGDV-UHFFFAOYSA-N 0 1 242.388 2.156 10 0 BEAEMN NC1(c2ccc(Cl)c(Cl)c2)COC1 ZINC000258777256 385030071 /nfs/dbraw/zinc/03/00/71/385030071.db2.gz UJQJXNAEXSTLAQ-UHFFFAOYSA-N 0 1 218.083 2.178 10 0 BEAEMN NCc1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000036870902 385587729 /nfs/dbraw/zinc/58/77/29/385587729.db2.gz UGISRILSWYHVRN-UHFFFAOYSA-N 0 1 213.693 2.250 10 0 BEAEMN CC(C)CC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197891 385608588 /nfs/dbraw/zinc/60/85/88/385608588.db2.gz KGHPLOGGUZRMIJ-SNVBAGLBSA-N 0 1 238.335 2.083 10 0 BEAEMN Cc1cnc([C@H](C)NCC[C@@H]2CCOC2)o1 ZINC000309504497 385643007 /nfs/dbraw/zinc/64/30/07/385643007.db2.gz VOBLDXDPGWCTPR-WDEREUQCSA-N 0 1 224.304 2.060 10 0 BEAEMN CN(C)c1cccc2[nH]nc([Si](C)(C)C)c21 ZINC000211462923 385685010 /nfs/dbraw/zinc/68/50/10/385685010.db2.gz DJHOEVSTOLPDMO-UHFFFAOYSA-N 0 1 233.391 2.174 10 0 BEAEMN C[C@@H]1CC[C@@](N)(c2nccs2)CS1 ZINC000575533441 385892659 /nfs/dbraw/zinc/89/26/59/385892659.db2.gz BRQRVOBVKPPMCY-APPZFPTMSA-N 0 1 214.359 2.213 10 0 BEAEMN C[C@H]1CC[C@]2(CS1)NCCCS2 ZINC000575534667 385899182 /nfs/dbraw/zinc/89/91/82/385899182.db2.gz LPCCPBLPJSVQSA-IUCAKERBSA-N 0 1 203.376 2.325 10 0 BEAEMN CCOC(=O)c1ccccc1[C@H]1CC[N@@H+](C)C1 ZINC000260465618 385867214 /nfs/dbraw/zinc/86/72/14/385867214.db2.gz RKLFFWDNPBIXSE-NSHDSACASA-N 0 1 233.311 2.282 10 0 BEAEMN Cc1ccc(CNC2=N[C@H](C)CS2)o1 ZINC000053040794 386199390 /nfs/dbraw/zinc/19/93/90/386199390.db2.gz YVPLJZFBBYTAHH-SSDOTTSWSA-N 0 1 210.302 2.169 10 0 BEAEMN C[C@H](O)CCN1CCCC[C@H]1c1nccs1 ZINC000336683155 386344664 /nfs/dbraw/zinc/34/46/64/386344664.db2.gz SOVKHDUHGBVGOS-QWRGUYRKSA-N 0 1 240.372 2.441 10 0 BEAEMN C[C@@H]1C[C@H](C)C[C@@](N)(C(=O)OC(C)(C)C)C1 ZINC000521401012 386449244 /nfs/dbraw/zinc/44/92/44/386449244.db2.gz VGXBIEBGSDJOHR-DDFAGTSDSA-N 0 1 227.348 2.482 10 0 BEAEMN CC(C)[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000135198224 386489455 /nfs/dbraw/zinc/48/94/55/386489455.db2.gz ZIYJOIPGKRKJMH-ZIAGYGMSSA-N 0 1 246.354 2.191 10 0 BEAEMN C[C@@H](NCc1cc[nH]c1)c1cncc(F)c1 ZINC000336778363 386461177 /nfs/dbraw/zinc/46/11/77/386461177.db2.gz LEYUHQWPXOWWCW-SECBINFHSA-N 0 1 219.263 2.400 10 0 BEAEMN Cn1cc(CN2CCC[C@H]2c2ccco2)cn1 ZINC000116288931 386930747 /nfs/dbraw/zinc/93/07/47/386930747.db2.gz JFDJPVVJHBYAPP-LBPRGKRZSA-N 0 1 231.299 2.350 10 0 BEAEMN CN[C@@H](c1cccs1)c1ccccn1 ZINC000040237895 387042634 /nfs/dbraw/zinc/04/26/34/387042634.db2.gz NZOUITBVEFJYKL-LLVKDONJSA-N 0 1 204.298 2.452 10 0 BEAEMN O=C(c1ccc(F)cc1O)N1C[C@@H]2CCC[C@H]21 ZINC000336319565 387145711 /nfs/dbraw/zinc/14/57/11/387145711.db2.gz CEFFYOJMXGWULK-GZMMTYOYSA-N 0 1 235.258 2.156 10 0 BEAEMN CCC[C@H](C(=O)Nc1nc(C)cs1)N(C)C ZINC000161658951 387253603 /nfs/dbraw/zinc/25/36/03/387253603.db2.gz TUFWBJOACVDRRW-SECBINFHSA-N 0 1 241.360 2.120 10 0 BEAEMN CC(=O)c1c(C=O)cc(O)cc1C(F)F ZINC000575669669 387328663 /nfs/dbraw/zinc/32/86/63/387328663.db2.gz IPJYJBSRIMNYTK-UHFFFAOYSA-N 0 1 214.167 2.345 10 0 BEAEMN CCCc1nc(CN[C@@H]2CCO[C@@H]2C)cs1 ZINC000292117072 387331785 /nfs/dbraw/zinc/33/17/85/387331785.db2.gz HLUNPSMOZNUWFZ-MWLCHTKSSA-N 0 1 240.372 2.363 10 0 BEAEMN CC(C)CCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121685991 387392327 /nfs/dbraw/zinc/39/23/27/387392327.db2.gz JFUZMOZVZCNZIQ-LLVKDONJSA-N 0 1 222.336 2.378 10 0 BEAEMN CCOC(=O)c1cc(Cl)c(O)cc1OC ZINC000575700967 387403651 /nfs/dbraw/zinc/40/36/51/387403651.db2.gz NZIGBZOZIRUVPO-UHFFFAOYSA-N 0 1 230.647 2.231 10 0 BEAEMN O=Cc1c(O)c(F)ccc1C(F)(F)F ZINC000575705095 387409060 /nfs/dbraw/zinc/40/90/60/387409060.db2.gz UJEZYBFWWXOFQQ-UHFFFAOYSA-N 0 1 208.110 2.363 10 0 BEAEMN CC(C)=CC(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000303080163 387524916 /nfs/dbraw/zinc/52/49/16/387524916.db2.gz IJUDDGRDOHRQLV-QWHCGFSZSA-N 0 1 236.359 2.038 10 0 BEAEMN N=c1[nH]oc([C@H]2CC23CC3)c1Br ZINC000575537655 387580150 /nfs/dbraw/zinc/58/01/50/387580150.db2.gz HOLZJRIMQRYCMH-SCSAIBSYSA-N 0 1 229.077 2.117 10 0 BEAEMN C[C@H]1CC[C@](N)(c2nccs2)CS1 ZINC000575533447 387554846 /nfs/dbraw/zinc/55/48/46/387554846.db2.gz BRQRVOBVKPPMCY-IONNQARKSA-N 0 1 214.359 2.213 10 0 BEAEMN Cn1nccc1CN[C@@H]1CCOc2ccccc21 ZINC000037074408 387560689 /nfs/dbraw/zinc/56/06/89/387560689.db2.gz VKNBUMJMNVYAPV-CYBMUJFWSA-N 0 1 243.310 2.034 10 0 BEAEMN O=c1[nH]c([C@H]2CC23CC3)ncc1Br ZINC000575554354 387661608 /nfs/dbraw/zinc/66/16/08/387661608.db2.gz IHIZRAQDJSOZEX-RXMQYKEDSA-N 0 1 241.088 2.212 10 0 BEAEMN CCn1c(C)nnc1CN(C)C(C1CC1)C1CC1 ZINC000195122510 387907664 /nfs/dbraw/zinc/90/76/64/387907664.db2.gz HRDKOVZPLUBHLX-UHFFFAOYSA-N 0 1 248.374 2.227 10 0 BEAEMN Fc1ccc([C@H]2CSCCN2)c(F)c1 ZINC000070588093 387996327 /nfs/dbraw/zinc/99/63/27/387996327.db2.gz YMMPJUCDINHKGB-SNVBAGLBSA-N 0 1 215.268 2.342 10 0 BEAEMN Fc1ccc([C@@H]2CSCCN2)c(F)c1 ZINC000070588092 387996379 /nfs/dbraw/zinc/99/63/79/387996379.db2.gz YMMPJUCDINHKGB-JTQLQIEISA-N 0 1 215.268 2.342 10 0 BEAEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)C ZINC000083703851 388059578 /nfs/dbraw/zinc/05/95/78/388059578.db2.gz ZIGMPHJZDMKLLL-NWDGAFQWSA-N 0 1 238.375 2.118 10 0 BEAEMN CCn1c(C)nnc1CN(C)C1CCCCC1 ZINC000195007797 388082209 /nfs/dbraw/zinc/08/22/09/388082209.db2.gz MNRYOFFGYBQXJO-UHFFFAOYSA-N 0 1 236.363 2.371 10 0 BEAEMN c1n[nH]cc1CN[C@@H]1CCOc2ccccc21 ZINC000038005904 388099724 /nfs/dbraw/zinc/09/97/24/388099724.db2.gz KQQVTHURLKUWLP-GFCCVEGCSA-N 0 1 229.283 2.023 10 0 BEAEMN c1n[nH]cc1CN[C@@H]1CSCc2ccccc21 ZINC000038006418 388109597 /nfs/dbraw/zinc/10/95/97/388109597.db2.gz QYTNXFQFGNEUHZ-CYBMUJFWSA-N 0 1 245.351 2.487 10 0 BEAEMN CCc1nnc(CN(CC)[C@@H](C)C(C)C)n1C ZINC000195432680 388163980 /nfs/dbraw/zinc/16/39/80/388163980.db2.gz OSBJOQADLYFUHH-NSHDSACASA-N 0 1 238.379 2.244 10 0 BEAEMN CC(C)c1nnc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000646091938 388140554 /nfs/dbraw/zinc/14/05/54/388140554.db2.gz GNGGRTXSYSANHH-HBNTYKKESA-N 0 1 235.331 2.471 10 0 BEAEMN C[C@H]1[C@H](O)CCCN1Cc1cc(F)cc(F)c1 ZINC000294972916 388406699 /nfs/dbraw/zinc/40/66/99/388406699.db2.gz JFRHFBRCQDLBEI-TVQRCGJNSA-N 0 1 241.281 2.310 10 0 BEAEMN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000135242881 388486989 /nfs/dbraw/zinc/48/69/89/388486989.db2.gz XDSMWFVRBHWZIZ-OUAUKWLOSA-N 0 1 247.342 2.229 10 0 BEAEMN Cc1nc(N)nc(N)c1CCC1CCCCC1 ZINC000082300948 388586871 /nfs/dbraw/zinc/58/68/71/388586871.db2.gz OHFLXBFUOMBRJT-UHFFFAOYSA-N 0 1 234.347 2.462 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000247534473 388665850 /nfs/dbraw/zinc/66/58/50/388665850.db2.gz OOEVLCLTJMIMDS-QWHCGFSZSA-N 0 1 248.374 2.371 10 0 BEAEMN CCC[C@H](C(=O)Nc1ccnc(C)c1)N(C)C ZINC000126039612 388687680 /nfs/dbraw/zinc/68/76/80/388687680.db2.gz XLYYBBFYESSGLP-GFCCVEGCSA-N 0 1 235.331 2.059 10 0 BEAEMN O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1O ZINC000649123136 388841297 /nfs/dbraw/zinc/84/12/97/388841297.db2.gz LDBOYVDKCFKBOT-XXILOJSOSA-N 0 1 249.285 2.450 10 0 BEAEMN Cc1nc(N2C[C@H](C)C[C@H](C)C2)ccc1N ZINC000036250933 132341669 /nfs/dbraw/zinc/34/16/69/132341669.db2.gz KKUKOVFGWFRHJK-AOOOYVTPSA-N 0 1 219.332 2.455 10 0 BEAEMN CNCc1nc(N2CCCCC2)ccc1Cl ZINC000051436019 132361013 /nfs/dbraw/zinc/36/10/13/132361013.db2.gz CIRVOEIYGGLNKW-UHFFFAOYSA-N 0 1 239.750 2.445 10 0 BEAEMN CN1CCN(c2cccc3ccoc32)CC1 ZINC000013738320 132322421 /nfs/dbraw/zinc/32/24/21/132322421.db2.gz WVJLZVJDZRVJOA-UHFFFAOYSA-N 0 1 216.284 2.185 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1c1ccc(N)c(C(=O)[O-])c1 ZINC000058013960 132367841 /nfs/dbraw/zinc/36/78/41/132367841.db2.gz XQSCZBGYEUZXOU-SECBINFHSA-N 0 1 234.299 2.346 10 0 BEAEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C1CC=CC1 ZINC000336002530 134047926 /nfs/dbraw/zinc/04/79/26/134047926.db2.gz LBNCUEKFHYQLSD-JSGCOSHPSA-N 0 1 248.370 2.038 10 0 BEAEMN Cc1cnc([C@@H](C)NC[C@H]2CCCOC2)o1 ZINC000220915785 134314881 /nfs/dbraw/zinc/31/48/81/134314881.db2.gz OMEHSFOKJTXAEW-GHMZBOCLSA-N 0 1 224.304 2.060 10 0 BEAEMN COCC[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000220932139 134315405 /nfs/dbraw/zinc/31/54/05/134315405.db2.gz YJZBCRREMBCXNZ-SCZZXKLOSA-N 0 1 212.293 2.059 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1ccoc1C(=O)OC ZINC000224877527 134348528 /nfs/dbraw/zinc/34/85/28/134348528.db2.gz NCQLENVFLLFVAP-KOLCDFICSA-N 0 1 237.299 2.344 10 0 BEAEMN C[C@H]1C[C@@H]1NCc1ncc(Cl)s1 ZINC000225338211 134354811 /nfs/dbraw/zinc/35/48/11/134354811.db2.gz RSOCTRXOCVAOKO-WDSKDSINSA-N 0 1 202.710 2.295 10 0 BEAEMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000185589654 134382002 /nfs/dbraw/zinc/38/20/02/134382002.db2.gz QSLUOQLRIRVVCQ-ZYHUDNBSSA-N 0 1 248.374 2.313 10 0 BEAEMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(C2CC2)n1C ZINC000185589654 134382003 /nfs/dbraw/zinc/38/20/03/134382003.db2.gz QSLUOQLRIRVVCQ-ZYHUDNBSSA-N 0 1 248.374 2.313 10 0 BEAEMN Cc1nn(C)cc1CN[C@H](C)c1cncc(F)c1 ZINC000227772847 134393732 /nfs/dbraw/zinc/39/37/32/134393732.db2.gz LZLDBDKQRMKCGQ-SECBINFHSA-N 0 1 248.305 2.113 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1C[C@@H](O)C1CCCCC1 ZINC000249143042 135034817 /nfs/dbraw/zinc/03/48/17/135034817.db2.gz WLAAGZQFIARUNZ-YRGRVCCFSA-N 0 1 241.375 2.037 10 0 BEAEMN c1ccc([C@H](NC2COC2)C2CC2)cc1 ZINC000087194974 135112409 /nfs/dbraw/zinc/11/24/09/135112409.db2.gz XUONILJPYMVOIA-ZDUSSCGKSA-N 0 1 203.285 2.126 10 0 BEAEMN c1ccc([C@@H](NC2COC2)C2CC2)cc1 ZINC000087194975 135112442 /nfs/dbraw/zinc/11/24/42/135112442.db2.gz XUONILJPYMVOIA-CYBMUJFWSA-N 0 1 203.285 2.126 10 0 BEAEMN Cc1ccc2c(c1)[C@H]([N@@H+](C)CC(=O)[O-])[C@H](C)C2 ZINC000263447641 135355654 /nfs/dbraw/zinc/35/56/54/135355654.db2.gz YHKRCDSLRSQZIQ-QMTHXVAHSA-N 0 1 233.311 2.245 10 0 BEAEMN CCC[C@H](C(=O)OCC)N1C[C@H]2CCC[C@@H]21 ZINC000348261895 136057958 /nfs/dbraw/zinc/05/79/58/136057958.db2.gz HKHANGVFQGSYKQ-GRYCIOLGSA-N 0 1 225.332 2.203 10 0 BEAEMN COCc1nc(CNCC[C@H](C)F)cs1 ZINC000381971087 397853093 /nfs/dbraw/zinc/85/30/93/397853093.db2.gz CAEMVKDQEOPLKS-QMMMGPOBSA-N 0 1 232.324 2.127 10 0 BEAEMN CC(C)(C)SC(=O)C=C(O)C1CC1 ZINC000584645946 398085774 /nfs/dbraw/zinc/08/57/74/398085774.db2.gz HBJCWPWTPUERMK-UHFFFAOYSA-N 0 1 200.303 2.414 10 0 BEAEMN CC(C)NCc1csc(-c2ncccn2)n1 ZINC000040443670 167121429 /nfs/dbraw/zinc/12/14/29/167121429.db2.gz FGVAHCKIPSKTED-UHFFFAOYSA-N 0 1 234.328 2.098 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829224 487560586 /nfs/dbraw/zinc/56/05/86/487560586.db2.gz FSBMBORUYFEDLA-PWSUYJOCSA-N 0 1 213.321 2.218 10 0 BEAEMN CCc1cc(O)cc(OC(F)F)c1C=O ZINC000575653873 409823331 /nfs/dbraw/zinc/82/33/31/409823331.db2.gz PXOYJNOQEFIEHG-UHFFFAOYSA-N 0 1 216.183 2.369 10 0 BEAEMN CC(C)CNCc1nnnn1[C@@H](C)CC(C)C ZINC000054745179 167009710 /nfs/dbraw/zinc/00/97/10/167009710.db2.gz RDNQJUCGAQOBOY-NSHDSACASA-N 0 1 239.367 2.026 10 0 BEAEMN CC(C)[N@H+]1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592206 167027935 /nfs/dbraw/zinc/02/79/35/167027935.db2.gz PVOVANQASJQMNR-JTQLQIEISA-N 0 1 225.313 2.140 10 0 BEAEMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1CC(CC(=O)[O-])C2 ZINC000062570442 167035570 /nfs/dbraw/zinc/03/55/70/167035570.db2.gz HARCMBOBRQDYKU-FGWVZKOKSA-N 0 1 211.305 2.113 10 0 BEAEMN O=C1[C@@H]2CCCC2=NN1c1cccc(F)c1 ZINC000104871986 410967441 /nfs/dbraw/zinc/96/74/41/410967441.db2.gz YVUOXIGBQRABHV-SNVBAGLBSA-N 0 1 218.231 2.328 10 0 BEAEMN O=c1c2c([nH]n1-c1cccc(F)c1)CCC2 ZINC000104871986 410967445 /nfs/dbraw/zinc/96/74/45/410967445.db2.gz YVUOXIGBQRABHV-SNVBAGLBSA-N 0 1 218.231 2.328 10 0 BEAEMN CC(C)[C@@H](C)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000043512516 411120472 /nfs/dbraw/zinc/12/04/72/411120472.db2.gz AQHGKIYKDJAZLU-BXUZGUMPSA-N 0 1 246.354 2.034 10 0 BEAEMN CC(C)[C@@H](C)NC(=O)[C@H]1NCCc2ccccc21 ZINC000043512514 411120683 /nfs/dbraw/zinc/12/06/83/411120683.db2.gz AQHGKIYKDJAZLU-RISCZKNCSA-N 0 1 246.354 2.034 10 0 BEAEMN CC1=N[C@H]2CCN(Cc3ccccc3)C[C@@H]2O1 ZINC000072232735 168137659 /nfs/dbraw/zinc/13/76/59/168137659.db2.gz KGRGOMIGPFDQNY-KBPBESRZSA-N 0 1 230.311 2.078 10 0 BEAEMN CC1=N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 ZINC000072232734 168138042 /nfs/dbraw/zinc/13/80/42/168138042.db2.gz KGRGOMIGPFDQNY-KGLIPLIRSA-N 0 1 230.311 2.078 10 0 BEAEMN CC1CCC(OC(=O)[C@@](C)(N)C2CC2)CC1 ZINC000048633070 168166680 /nfs/dbraw/zinc/16/66/80/168166680.db2.gz RIISBARVMXEEEE-OCTTZUBCSA-N 0 1 225.332 2.236 10 0 BEAEMN CCC(=O)CCN1CCCC[C@H]1c1cn[nH]c1 ZINC000190296955 168202813 /nfs/dbraw/zinc/20/28/13/168202813.db2.gz VMTCUFSITVCIKL-ZDUSSCGKSA-N 0 1 235.331 2.306 10 0 BEAEMN CC[C@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000305933271 411428412 /nfs/dbraw/zinc/42/84/12/411428412.db2.gz KGAVQKOKVPFFPX-NSHDSACASA-N 0 1 248.326 2.402 10 0 BEAEMN C[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])[C@H]1C ZINC000305993301 411430368 /nfs/dbraw/zinc/43/03/68/411430368.db2.gz TZVCCMCPPFOTGN-MNOVXSKESA-N 0 1 248.326 2.400 10 0 BEAEMN CCNC(C)(C)c1nc(-c2ccco2)no1 ZINC000061151493 170107209 /nfs/dbraw/zinc/10/72/09/170107209.db2.gz MDYBHDQQPIBTQJ-UHFFFAOYSA-N 0 1 221.260 2.174 10 0 BEAEMN CCNC(C)(C)c1nncn1C1CCCC1 ZINC000061152125 170107649 /nfs/dbraw/zinc/10/76/49/170107649.db2.gz AKVAYUOJWJXRMQ-UHFFFAOYSA-N 0 1 222.336 2.238 10 0 BEAEMN CCNC(C)(C)c1nnc(C)n1C(C)C ZINC000061152053 170107835 /nfs/dbraw/zinc/10/78/35/170107835.db2.gz RZXAVMMIVMZKEP-UHFFFAOYSA-N 0 1 210.325 2.012 10 0 BEAEMN CCNCC(=O)c1ccc(OCC)c(F)c1 ZINC000071532118 170110679 /nfs/dbraw/zinc/11/06/79/170110679.db2.gz OKAZOZRCOBCRGR-UHFFFAOYSA-N 0 1 225.263 2.017 10 0 BEAEMN CCNCc1csc(N2CCC(C)CC2)n1 ZINC000062214921 170130805 /nfs/dbraw/zinc/13/08/05/170130805.db2.gz DLJFELNAUHWNKJ-UHFFFAOYSA-N 0 1 239.388 2.489 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000049538293 170143069 /nfs/dbraw/zinc/14/30/69/170143069.db2.gz IFJOOMDYMFHGDM-VIFPVBQESA-N 0 1 217.272 2.407 10 0 BEAEMN CCN[C@@H](CO)c1ccccc1Br ZINC000038120412 170144816 /nfs/dbraw/zinc/14/48/16/170144816.db2.gz LILRTKAKMZBOPL-JTQLQIEISA-N 0 1 244.132 2.092 10 0 BEAEMN CCN[C@@]1(c2nccs2)CCCSC1 ZINC000061590726 170155950 /nfs/dbraw/zinc/15/59/50/170155950.db2.gz JCRRIOZRRLVCSY-JTQLQIEISA-N 0 1 228.386 2.475 10 0 BEAEMN CCN[C@@H](c1nccn1C)c1ccccc1 ZINC000041048652 170164662 /nfs/dbraw/zinc/16/46/62/170164662.db2.gz CVXRPGANVFLDBN-GFCCVEGCSA-N 0 1 215.300 2.119 10 0 BEAEMN CCN[C@H](c1cnn(C)c1)c1ccccc1OC ZINC000035555973 170164752 /nfs/dbraw/zinc/16/47/52/170164752.db2.gz SQJZAZXLHGBILM-CQSZACIVSA-N 0 1 245.326 2.128 10 0 BEAEMN CCOC(=O)CCNCc1c(F)cccc1F ZINC000045685440 170209686 /nfs/dbraw/zinc/20/96/86/170209686.db2.gz WCEZUBXOYOFZIP-UHFFFAOYSA-N 0 1 243.253 2.008 10 0 BEAEMN CCOC(=O)CN(C)C[C@H]1CCCC(F)(F)C1 ZINC000304183847 170214764 /nfs/dbraw/zinc/21/47/64/170214764.db2.gz NOYVRFVZAGKGIW-JTQLQIEISA-N 0 1 249.301 2.307 10 0 BEAEMN CCOC(=O)c1[nH]c(-c2ccc(N)cc2)nc1C ZINC000045902148 170306116 /nfs/dbraw/zinc/30/61/16/170306116.db2.gz DKBXOSRKKRKHMP-UHFFFAOYSA-N 0 1 245.282 2.144 10 0 BEAEMN CCOC(=O)c1sc([C@@H](N)C(C)C)nc1C ZINC000083370702 170310391 /nfs/dbraw/zinc/31/03/91/170310391.db2.gz IZJWTLMRYCIZGP-QMMMGPOBSA-N 0 1 242.344 2.284 10 0 BEAEMN CC[C@@](C)(O)CN[C@H](COC)c1ccc(C)o1 ZINC000119086444 171186110 /nfs/dbraw/zinc/18/61/10/171186110.db2.gz WNXJHBMDYBWXFB-DGCLKSJQSA-N 0 1 241.331 2.026 10 0 BEAEMN CC[C@H](C)CN(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134323804 171270762 /nfs/dbraw/zinc/27/07/62/171270762.db2.gz MWNMLGPBLOWQSJ-WDEREUQCSA-N 0 1 249.358 2.334 10 0 BEAEMN CC[C@H](C)CN(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134323849 171270786 /nfs/dbraw/zinc/27/07/86/171270786.db2.gz MWNMLGPBLOWQSJ-QWRGUYRKSA-N 0 1 249.358 2.334 10 0 BEAEMN CC[C@H](C)N(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000043512531 171303903 /nfs/dbraw/zinc/30/39/03/171303903.db2.gz YBYZUJYHOOBAEI-FZMZJTMJSA-N 0 1 246.354 2.130 10 0 BEAEMN CC[C@H](C)Oc1ccc2c(c1)NC(=O)[C@H]2NC ZINC000103921333 171356114 /nfs/dbraw/zinc/35/61/14/171356114.db2.gz XBTBKYMTINLKGV-UFBFGSQYSA-N 0 1 234.299 2.077 10 0 BEAEMN CCc1cc(N)c2c(OC)ccc(OC)c2n1 ZINC000050870274 171761154 /nfs/dbraw/zinc/76/11/54/171761154.db2.gz NOUDRECBBGXSMW-UHFFFAOYSA-N 0 1 232.283 2.397 10 0 BEAEMN CCc1nc([C@@H](C)NCC(C)(C)O)cs1 ZINC000112546953 172002687 /nfs/dbraw/zinc/00/26/87/172002687.db2.gz LUPCDMDEUMIURL-MRVPVSSYSA-N 0 1 228.361 2.127 10 0 BEAEMN CCc1nc2cc(N)ccc2n1C[C@@H]1CCOC1 ZINC000061148341 172010016 /nfs/dbraw/zinc/01/00/16/172010016.db2.gz BZQFNFLOOMAXDT-JTQLQIEISA-N 0 1 245.326 2.217 10 0 BEAEMN CCc1noc(C2(N)CCCCCC2)n1 ZINC000041033212 172082408 /nfs/dbraw/zinc/08/24/08/172082408.db2.gz UNZVUSVMHSYBOC-UHFFFAOYSA-N 0 1 209.293 2.140 10 0 BEAEMN CCn1c(=O)c2cc(Cl)ccc2[nH]c1=S ZINC000007043934 172146576 /nfs/dbraw/zinc/14/65/76/172146576.db2.gz BVHJKNWOEQANST-UHFFFAOYSA-N 0 1 240.715 2.359 10 0 BEAEMN CCn1cc(-c2csc([C@H](C)N)n2)cn1 ZINC000044495434 172149722 /nfs/dbraw/zinc/14/97/22/172149722.db2.gz WMZWDSHQADNCEZ-ZETCQYMHSA-N 0 1 222.317 2.046 10 0 BEAEMN CCn1cccc1CNCc1ccnc(OC)c1 ZINC000091127741 172208107 /nfs/dbraw/zinc/20/81/07/172208107.db2.gz AIHQCIDJOINXKQ-UHFFFAOYSA-N 0 1 245.326 2.201 10 0 BEAEMN CCn1cccc1CN[C@@H](C)c1cnn(C)c1 ZINC000294930511 172209490 /nfs/dbraw/zinc/20/94/90/172209490.db2.gz BFRJSVMXDODKNC-NSHDSACASA-N 0 1 232.331 2.092 10 0 BEAEMN CCn1ccnc1[C@H](N)c1ccc(C)cc1 ZINC000011735134 172229897 /nfs/dbraw/zinc/22/98/97/172229897.db2.gz MGAZWTUWPUZISL-GFCCVEGCSA-N 0 1 215.300 2.260 10 0 BEAEMN C[N@@H+](Cc1cccs1)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000062751826 172894224 /nfs/dbraw/zinc/89/42/24/172894224.db2.gz NWTVGPSDJWGQMD-QWRGUYRKSA-N 0 1 239.340 2.433 10 0 BEAEMN CN1CCC[C@H](Nc2ncccc2Cl)C1 ZINC000040673513 173046049 /nfs/dbraw/zinc/04/60/49/173046049.db2.gz HBOVMRUVPVULED-VIFPVBQESA-N 0 1 225.723 2.241 10 0 BEAEMN CN1CCS[C@@H](c2cccc(O)c2)C1 ZINC000039316107 173110204 /nfs/dbraw/zinc/11/02/04/173110204.db2.gz AXSFOLPPBXFRJF-LLVKDONJSA-N 0 1 209.314 2.112 10 0 BEAEMN CN1CC[C@H](Oc2cc(N)ccc2Cl)C1 ZINC000067175878 173156180 /nfs/dbraw/zinc/15/61/80/173156180.db2.gz SXOQPNTZRMVGBT-VIFPVBQESA-N 0 1 226.707 2.005 10 0 BEAEMN CNCC(=O)c1cccc(Cl)c1Cl ZINC000082536362 173336559 /nfs/dbraw/zinc/33/65/59/173336559.db2.gz UMVAVFTYBVKRKO-UHFFFAOYSA-N 0 1 218.083 2.396 10 0 BEAEMN CNCc1nc(CN(C)c2ccccc2)cs1 ZINC000052379654 173395307 /nfs/dbraw/zinc/39/53/07/173395307.db2.gz KSWFROMCQIPOKO-UHFFFAOYSA-N 0 1 247.367 2.499 10 0 BEAEMN CNCc1nnc(-c2ccc(C)cc2C)o1 ZINC000050615305 173397632 /nfs/dbraw/zinc/39/76/32/173397632.db2.gz RIIHDNSTFUUZRE-UHFFFAOYSA-N 0 1 217.272 2.073 10 0 BEAEMN CNCc1nccn1Cc1ccccc1Cl ZINC000051004547 173398108 /nfs/dbraw/zinc/39/81/08/173398108.db2.gz NETKUHJFGOJACM-UHFFFAOYSA-N 0 1 235.718 2.304 10 0 BEAEMN COCCCCCN[C@H](C)c1ncc(C)o1 ZINC000309962356 174184752 /nfs/dbraw/zinc/18/47/52/174184752.db2.gz LWSMTCUFCCOKLU-LLVKDONJSA-N 0 1 226.320 2.450 10 0 BEAEMN COCCNC1=N[C@]2(CS1)CCC[C@H](C)C2 ZINC000053098588 174330660 /nfs/dbraw/zinc/33/06/60/174330660.db2.gz YRHJNJSCQNSKQZ-CMPLNLGQSA-N 0 1 242.388 2.274 10 0 BEAEMN COCCN[C@H](c1nc(C)c(C)s1)C1CC1 ZINC000045205780 174340161 /nfs/dbraw/zinc/34/01/61/174340161.db2.gz GRDLRMHWIIIKLU-NSHDSACASA-N 0 1 240.372 2.447 10 0 BEAEMN COc1cc2oc(C)cc(=O)c2c(O)c1C ZINC000013484895 175029388 /nfs/dbraw/zinc/02/93/88/175029388.db2.gz RGTSAUBIQAKKLC-UHFFFAOYSA-N 0 1 220.224 2.124 10 0 endogenous,in-man BEAEMN COc1ccc(C(=O)[C@H]2CCCCN2)cc1OC ZINC000058327603 175066049 /nfs/dbraw/zinc/06/60/49/175066049.db2.gz VVKBXCCBWKNIOH-LLVKDONJSA-N 0 1 249.310 2.029 10 0 BEAEMN COc1ccc(C(=O)c2ccc(O)cc2)c(O)c1 ZINC000001722138 175066052 /nfs/dbraw/zinc/06/60/52/175066052.db2.gz IIKRDUUGDIYQTL-UHFFFAOYSA-N 0 1 244.246 2.337 10 0 BEAEMN COc1ccc(C)c2sc(CN)nc21 ZINC000031894629 175071716 /nfs/dbraw/zinc/07/17/16/175071716.db2.gz UPMNRBUSZHMAIY-UHFFFAOYSA-N 0 1 208.286 2.072 10 0 BEAEMN COc1ccc(NC2=NCCC2)c(OC)c1 ZINC000003866606 175149713 /nfs/dbraw/zinc/14/97/13/175149713.db2.gz OZXQFBOEAJSEFN-UHFFFAOYSA-N 0 1 220.272 2.308 10 0 BEAEMN COc1ccc([C@@H](C)NCc2cn[nH]c2)cc1F ZINC000038005943 175176681 /nfs/dbraw/zinc/17/66/81/175176681.db2.gz PEYNTIGMELZFMK-SECBINFHSA-N 0 1 249.289 2.408 10 0 BEAEMN COc1ccc([C@@H](C)NCc2cncnc2)cc1 ZINC000083371615 175177337 /nfs/dbraw/zinc/17/73/37/175177337.db2.gz XZLXPEOLRWZYNK-LLVKDONJSA-N 0 1 243.310 2.336 10 0 BEAEMN COc1ccc([C@@H](N)c2ccco2)cc1 ZINC000035379614 175180217 /nfs/dbraw/zinc/18/02/17/175180217.db2.gz DNNAXLMASPIHDI-GFCCVEGCSA-N 0 1 203.241 2.336 10 0 BEAEMN COc1ccc([C@H](N)c2ccco2)cc1 ZINC000035379613 175192586 /nfs/dbraw/zinc/19/25/86/175192586.db2.gz DNNAXLMASPIHDI-LBPRGKRZSA-N 0 1 203.241 2.336 10 0 BEAEMN COc1cccc(-c2nnc([C@@H](C)N)s2)c1 ZINC000083335429 175237748 /nfs/dbraw/zinc/23/77/48/175237748.db2.gz QRQDUPDXLDOLEY-SSDOTTSWSA-N 0 1 235.312 2.233 10 0 BEAEMN COc1cccc(-c2noc3c2CN(C)CC3)c1 ZINC000012591318 175238291 /nfs/dbraw/zinc/23/82/91/175238291.db2.gz JRXMPVOMHRYKOX-UHFFFAOYSA-N 0 1 244.294 2.338 10 0 BEAEMN COc1cccc(C(=O)[C@H](C)NC2CC2)c1 ZINC000077328338 175247420 /nfs/dbraw/zinc/24/74/20/175247420.db2.gz NZEIXVJRHQTEFF-VIFPVBQESA-N 0 1 219.284 2.018 10 0 BEAEMN COc1cccc([C@@H](C)NCc2ccnn2C)c1 ZINC000037771538 175286821 /nfs/dbraw/zinc/28/68/21/175286821.db2.gz CQLIHXZQPNNZJJ-LLVKDONJSA-N 0 1 245.326 2.280 10 0 BEAEMN COc1cccc([C@H]2NC(C)(C)CO2)c1 ZINC000049813774 175296677 /nfs/dbraw/zinc/29/66/77/175296677.db2.gz NXXHYHWBGBUARG-NSHDSACASA-N 0 1 207.273 2.092 10 0 BEAEMN COc1ccccc1NCc1cnc(C)[nH]1 ZINC000054797778 175337824 /nfs/dbraw/zinc/33/78/24/175337824.db2.gz PIZYNDAWJOTSDM-UHFFFAOYSA-N 0 1 217.272 2.339 10 0 BEAEMN COc1ccccc1[C@@H](C)NCc1cn[nH]c1 ZINC000038005887 175344204 /nfs/dbraw/zinc/34/42/04/175344204.db2.gz VOASWHRTFTVPRG-SNVBAGLBSA-N 0 1 231.299 2.269 10 0 BEAEMN C[C@@H](N)c1noc(-c2c(F)cccc2F)n1 ZINC000041052194 175822265 /nfs/dbraw/zinc/82/22/65/175822265.db2.gz YYACKXIMGPIORK-RXMQYKEDSA-N 0 1 225.198 2.035 10 0 BEAEMN C[C@@H](NC(=O)[C@H](N)c1ccccc1)c1ccco1 ZINC000035738285 175845411 /nfs/dbraw/zinc/84/54/11/175845411.db2.gz BOVYZXQVKKRLEB-ZWNOBZJWSA-N 0 1 244.294 2.157 10 0 BEAEMN C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000082366583 176022394 /nfs/dbraw/zinc/02/23/94/176022394.db2.gz WUQVGKNYSGCODM-CMPLNLGQSA-N 0 1 219.284 2.297 10 0 BEAEMN Cc1c(O)c(C)c(=S)sc1S ZINC000005369259 176047390 /nfs/dbraw/zinc/04/73/90/176047390.db2.gz CEKOBZATNSNHKD-QWWZWVQMSA-N 0 1 204.341 2.229 10 0 BEAEMN C[C@@H]1CCCC[N@@H+]1Cc1csc(C(=O)[O-])n1 ZINC000036902683 176074201 /nfs/dbraw/zinc/07/42/01/176074201.db2.gz FHVQMTZNRHBKTD-MRVPVSSYSA-N 0 1 240.328 2.216 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])n1 ZINC000036902683 176074202 /nfs/dbraw/zinc/07/42/02/176074202.db2.gz FHVQMTZNRHBKTD-MRVPVSSYSA-N 0 1 240.328 2.216 10 0 BEAEMN C[C@@H]1CCCC[C@H]1OCc1cc(CN)no1 ZINC000052620773 176090486 /nfs/dbraw/zinc/09/04/86/176090486.db2.gz NWGNYMKUKYXGMQ-BXKDBHETSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@@H]1CCC[N@@H+](CC2(C(=O)[O-])CCCC2)C1 ZINC000049820200 176096372 /nfs/dbraw/zinc/09/63/72/176096372.db2.gz SQYKAFRAFHJISF-LLVKDONJSA-N 0 1 225.332 2.363 10 0 BEAEMN C[C@@H]1CCCN(Cc2csc(N)n2)[C@@H]1C ZINC000050564946 176101679 /nfs/dbraw/zinc/10/16/79/176101679.db2.gz LDYKBMJTMRRBSP-RKDXNWHRSA-N 0 1 225.361 2.346 10 0 BEAEMN C[C@@H]1CNC[C@H](c2cc(F)ccc2F)O1 ZINC000036986398 176329498 /nfs/dbraw/zinc/32/94/98/176329498.db2.gz OGCNUJJIONCYEV-RDDDGLTNSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1CC(=O)[O-] ZINC000363259645 176430257 /nfs/dbraw/zinc/43/02/57/176430257.db2.gz PSIFWVVGJXWGNP-SCZZXKLOSA-N 0 1 225.313 2.011 10 0 BEAEMN C[C@H](N)c1noc(Cc2ccc(Cl)cc2)n1 ZINC000041052323 176783501 /nfs/dbraw/zinc/78/35/01/176783501.db2.gz ONFIRBPDNQDGBH-ZETCQYMHSA-N 0 1 237.690 2.334 10 0 BEAEMN C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003744933 177036132 /nfs/dbraw/zinc/03/61/32/177036132.db2.gz VGLCZXKKHDZOLQ-BXKDBHETSA-N 0 1 237.274 2.436 10 0 BEAEMN C[C@H]1CC(C)(C)C[C@](N)(c2ncon2)C1 ZINC000036762102 177063597 /nfs/dbraw/zinc/06/35/97/177063597.db2.gz VSWUSITZJMVUPS-KWQFWETISA-N 0 1 209.293 2.070 10 0 BEAEMN C[C@H]1CCC[N@@H+](Cc2cccnc2C(=O)[O-])C1 ZINC000062750309 177102180 /nfs/dbraw/zinc/10/21/80/177102180.db2.gz YSNJRUUAVTVVSU-JTQLQIEISA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@H]1CCC[C@H](OC(=O)C2(N)CCCC2)C1 ZINC000040953541 177137904 /nfs/dbraw/zinc/13/79/04/177137904.db2.gz ZMPHZNDTQSDKGI-QWRGUYRKSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CN(Cc2cccc3c2NCC3)C[C@H](C)O1 ZINC000130463820 177265184 /nfs/dbraw/zinc/26/51/84/177265184.db2.gz USNYHOKYPURHIL-TXEJJXNPSA-N 0 1 246.354 2.264 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000306853697 487657664 /nfs/dbraw/zinc/65/76/64/487657664.db2.gz UCQJCGMRUHELRL-OUAUKWLOSA-N 0 1 213.321 2.074 10 0 BEAEMN Cc1nc2c([nH]1)C(=O)c1ccccc1CC2 ZINC000238522964 487667156 /nfs/dbraw/zinc/66/71/56/487667156.db2.gz FBCMVYYWYBAYRE-UHFFFAOYSA-N 0 1 212.252 2.048 10 0 BEAEMN Cc1ccccc1N1N=C2CCC[C@@H]2C1=O ZINC000104707269 487713042 /nfs/dbraw/zinc/71/30/42/487713042.db2.gz YDMCOCXOSVGTHL-JTQLQIEISA-N 0 1 214.268 2.498 10 0 BEAEMN Cc1ccccc1-n1[nH]c2c(c1=O)CCC2 ZINC000104707269 487713047 /nfs/dbraw/zinc/71/30/47/487713047.db2.gz YDMCOCXOSVGTHL-JTQLQIEISA-N 0 1 214.268 2.498 10 0 BEAEMN C[C@H]1C[N@H+](Cc2ncccc2C(=O)[O-])CC[C@@H]1C ZINC000385406220 487785217 /nfs/dbraw/zinc/78/52/17/487785217.db2.gz PXGAMZRNNIWTMH-QWRGUYRKSA-N 0 1 248.326 2.258 10 0 BEAEMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccco1 ZINC000049395440 323160014 /nfs/dbraw/zinc/16/00/14/323160014.db2.gz LCGSKXQWWAYAKY-LBPRGKRZSA-N 0 1 244.294 2.135 10 0 BEAEMN C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268183916 326169113 /nfs/dbraw/zinc/16/91/13/326169113.db2.gz XGEHTEGCPXEUJA-JFGNBEQYSA-N 0 1 247.342 2.134 10 0 BEAEMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978171 488014482 /nfs/dbraw/zinc/01/44/82/488014482.db2.gz GEUCHVILYKGIGH-WFASDCNBSA-N 0 1 245.322 2.265 10 0 BEAEMN C[C@@H](NC(=O)c1ccc(CN)o1)C1CCCC1 ZINC000094572241 487545415 /nfs/dbraw/zinc/54/54/15/487545415.db2.gz PEWVDIADLAOPOX-SECBINFHSA-N 0 1 236.315 2.047 10 0 BEAEMN C[C@H](NC(=O)c1ccc(CN)o1)C1CCCC1 ZINC000094572240 487545540 /nfs/dbraw/zinc/54/55/40/487545540.db2.gz PEWVDIADLAOPOX-VIFPVBQESA-N 0 1 236.315 2.047 10 0 BEAEMN CNc1cc(C)nc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000074934149 490309764 /nfs/dbraw/zinc/30/97/64/490309764.db2.gz JNDLNSYUYIZWDP-AOOOYVTPSA-N 0 1 234.347 2.309 10 0 BEAEMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000124755470 490401805 /nfs/dbraw/zinc/40/18/05/490401805.db2.gz GSWWBRRLOOYXJR-VWYCJHECSA-N 0 1 223.320 2.018 10 0 BEAEMN COC(=O)c1cccc2nc(C(C)C)[nH]c21 ZINC000076211269 490551654 /nfs/dbraw/zinc/55/16/54/490551654.db2.gz SRGMJYPQIPUYQY-UHFFFAOYSA-N 0 1 218.256 2.473 10 0 BEAEMN c1ncc(CN2CCS[C@@H]3CCCC[C@@H]32)cn1 ZINC000131311630 490630985 /nfs/dbraw/zinc/63/09/85/490630985.db2.gz QOXGOFCNUFCHOP-QWHCGFSZSA-N 0 1 249.383 2.337 10 0 BEAEMN CC(C)CCN(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000133329949 491150902 /nfs/dbraw/zinc/15/09/02/491150902.db2.gz HYSGAMZNJVLDFD-NSHDSACASA-N 0 1 249.358 2.334 10 0 BEAEMN CN[C@@H](c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000035469627 517975407 /nfs/dbraw/zinc/97/54/07/517975407.db2.gz ADNQYKQIROBYAO-CQSZACIVSA-N 0 1 245.278 2.360 10 0 BEAEMN CCCCNCc1nc([C@H](C)CC)no1 ZINC000057340847 520694567 /nfs/dbraw/zinc/69/45/67/520694567.db2.gz ZKADPXOKTUGHMN-SECBINFHSA-N 0 1 211.309 2.473 10 0 BEAEMN CCC(CC)[C@@H](N)c1noc(C(F)F)n1 ZINC000095532873 521604298 /nfs/dbraw/zinc/60/42/98/521604298.db2.gz VIUMCSMVIXWWPE-ZCFIWIBFSA-N 0 1 219.235 2.443 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1C[C@@H]2CCC[C@@H]21 ZINC000351729048 536651564 /nfs/dbraw/zinc/65/15/64/536651564.db2.gz CDHKORLCDUSSJI-SRVKXCTJSA-N 0 1 225.332 2.058 10 0 BEAEMN CCOC(=O)CC(=O)C(C(C)C)C(C)C ZINC000200364689 582469401 /nfs/dbraw/zinc/46/94/01/582469401.db2.gz UEKPJUIFMOZKAP-UHFFFAOYSA-N 0 1 214.305 2.437 10 0 BEAEMN Nc1ccc(Br)cc1[C@@H](N)CF ZINC000757133090 582509336 /nfs/dbraw/zinc/50/93/36/582509336.db2.gz GKYAGOGXXNQCJL-QMMMGPOBSA-N 0 1 233.084 2.001 10 0 BEAEMN Cc1cn2c(n1)N[C@H](C)C[C@@H]2C(F)(F)F ZINC000235395624 582576816 /nfs/dbraw/zinc/57/68/16/582576816.db2.gz OOQNSERUCVUAMU-IYSWYEEDSA-N 0 1 219.210 2.499 10 0 BEAEMN CCC(C(=O)C(C)(F)F)=C(O)C1CC1 ZINC000308508252 582687295 /nfs/dbraw/zinc/68/72/95/582687295.db2.gz AWCZWSVNCLZMKR-SSDOTTSWSA-N 0 1 204.216 2.216 10 0 BEAEMN CCOC(=O)C=C(O)[C@@]12C[C@@H]1CCCC2 ZINC000709245281 582994733 /nfs/dbraw/zinc/99/47/33/582994733.db2.gz SJIWRWZTCLBITM-CABZTGNLSA-N 0 1 210.273 2.089 10 0 BEAEMN CC(C(=O)C(C)(F)F)=C(O)C(C)(C)C ZINC000395455393 583058393 /nfs/dbraw/zinc/05/83/93/583058393.db2.gz JCFQFTDJDQZJGN-ZCFIWIBFSA-N 0 1 206.232 2.462 10 0 BEAEMN CCOC(=O)/C=C1/CCN(Cc2ccccc2)C1 ZINC000144376118 583927203 /nfs/dbraw/zinc/92/72/03/583927203.db2.gz NUUVZRQDSZZLED-UVTDQMKNSA-N 0 1 245.322 2.382 10 0 BEAEMN CC(C(=O)C(C)(F)F)=C(O)C1CCC1 ZINC000323860187 585029107 /nfs/dbraw/zinc/02/91/07/585029107.db2.gz QGHVZAYFZZIWAW-LURJTMIESA-N 0 1 204.216 2.216 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2c(C)cccc2C)[C@H](C(=O)[O-])C1 ZINC000757185767 586434128 /nfs/dbraw/zinc/43/41/28/586434128.db2.gz CPCYQTKDYCMGTK-CHWSQXEVSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2cccc(C)c2C)C1 ZINC000757194147 586436486 /nfs/dbraw/zinc/43/64/86/586436486.db2.gz YPUVFINYPPGDAY-KGLIPLIRSA-N 0 1 247.338 2.423 10 0 BEAEMN O=Cc1ccc(CN2CCCCCC2)o1 ZINC000016942830 589547963 /nfs/dbraw/zinc/54/79/63/589547963.db2.gz OTGMQUVOXPBEKI-UHFFFAOYSA-N 0 1 207.273 2.468 10 0 BEAEMN CC[C@@H](NCC(OC)OC)c1ccccc1F ZINC000122502547 589595314 /nfs/dbraw/zinc/59/53/14/589595314.db2.gz WZIUGYOMJSGBEJ-GFCCVEGCSA-N 0 1 241.306 2.485 10 0 BEAEMN COC(C)(C)C[C@@H](C)NCc1nnc(C)s1 ZINC000134723124 591947455 /nfs/dbraw/zinc/94/74/55/591947455.db2.gz FRCQZJFCUATZAJ-MRVPVSSYSA-N 0 1 243.376 2.140 10 0 BEAEMN CCOC1CC(NCc2ncc(Cl)s2)C1 ZINC000218988093 592202622 /nfs/dbraw/zinc/20/26/22/592202622.db2.gz HERYBQUEMQUZMH-UHFFFAOYSA-N 0 1 246.763 2.454 10 0 BEAEMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc21 ZINC000086726883 631470726 /nfs/dbraw/zinc/47/07/26/631470726.db2.gz YTGIBINGTJYCBF-CHWSQXEVSA-N 0 1 231.295 2.223 10 0 BEAEMN CO[C@@H]1CCC[C@@H]1NCc1csc(C)n1 ZINC000049948855 631917857 /nfs/dbraw/zinc/91/78/57/631917857.db2.gz JXWAVORZWYBDLW-WDEREUQCSA-N 0 1 226.345 2.109 10 0 BEAEMN Cc1nc([C@H](C)N[C@@H](C)[C@H](C)O)c(C)s1 ZINC000309030960 632618975 /nfs/dbraw/zinc/61/89/75/632618975.db2.gz DTAPHUPRVGMBSM-FXQIFTODSA-N 0 1 228.361 2.180 10 0 BEAEMN C[C@@H](C(N)=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062017022 641014300 /nfs/dbraw/zinc/01/43/00/641014300.db2.gz LZERGYSUKJRHIJ-IUCAKERBSA-N 0 1 240.734 2.207 10 0 BEAEMN Cc1cnc([C@H](C)NCC2(O)CCCCC2)o1 ZINC000230647779 641075063 /nfs/dbraw/zinc/07/50/63/641075063.db2.gz RNXWQUAARWYABO-NSHDSACASA-N 0 1 238.331 2.329 10 0 BEAEMN CCC[C@@H](C)C[N@H+](CC(=O)[O-])CC(C)C ZINC000062742733 641084608 /nfs/dbraw/zinc/08/46/08/641084608.db2.gz NSYWTSHNVVYDMF-LLVKDONJSA-N 0 1 215.337 2.465 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccnc2)C1 ZINC000062877586 641105413 /nfs/dbraw/zinc/10/54/13/641105413.db2.gz JHDISZRPFAQXBO-CQSZACIVSA-N 0 1 248.326 2.158 10 0 BEAEMN CCc1nc(CN[C@H]2CCC[C@H]2OC)cs1 ZINC000049948603 643563440 /nfs/dbraw/zinc/56/34/40/643563440.db2.gz KCBJUIAGSXECAA-WDEREUQCSA-N 0 1 240.372 2.363 10 0 BEAEMN C[C@H](NC/C(Cl)=C/Cl)[C@H]1CCCO1 ZINC000085977688 643626016 /nfs/dbraw/zinc/62/60/16/643626016.db2.gz LHVWOXJCMXPLQV-YJMLGRAPSA-N 0 1 224.131 2.463 10 0 BEAEMN Cc1occc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000320943984 643998347 /nfs/dbraw/zinc/99/83/47/643998347.db2.gz CWCWYIMTIOXDDD-LBPRGKRZSA-N 0 1 223.272 2.027 10 0 BEAEMN OC[C@H]1CCCCN1CCSC(F)(F)F ZINC000123699026 645920578 /nfs/dbraw/zinc/92/05/78/645920578.db2.gz UBFJFQUSUGJOET-MRVPVSSYSA-N 0 1 243.294 2.086 10 0 BEAEMN C[C@H](NCc1scnc1Cl)[C@H]1CCCO1 ZINC000713445941 712460366 /nfs/dbraw/zinc/46/03/66/712460366.db2.gz AOIXCWXVZPPJPB-JGVFFNPUSA-N 0 1 246.763 2.454 10 0 BEAEMN Cn1cnc(CN[C@H]2CCCCCC2(C)C)n1 ZINC000719285232 712803507 /nfs/dbraw/zinc/80/35/07/712803507.db2.gz HYYYMFKVKMWVML-NSHDSACASA-N 0 1 236.363 2.264 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ncccc2C(=O)[O-])C(C)(C)C1 ZINC000380400258 712900391 /nfs/dbraw/zinc/90/03/91/712900391.db2.gz OIRIHBMITVOQPF-JTQLQIEISA-N 0 1 248.326 2.400 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722694342 711466404 /nfs/dbraw/zinc/46/64/04/711466404.db2.gz UMPCXZHBQOSYFZ-OUAUKWLOSA-N 0 1 213.321 2.074 10 0 BEAEMN CCCCCC[N@H+](CC(=O)[O-])CC1CC1 ZINC000037507359 711466916 /nfs/dbraw/zinc/46/69/16/711466916.db2.gz HKJRGOAOBWNMHU-UHFFFAOYSA-N 0 1 213.321 2.363 10 0 BEAEMN CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000700466625 711993368 /nfs/dbraw/zinc/99/33/68/711993368.db2.gz CDZFBGOHIWUELZ-QWRGUYRKSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC2(C)C)n1 ZINC000700466381 711993958 /nfs/dbraw/zinc/99/39/58/711993958.db2.gz UHVBMDZEHHFCCA-JTQLQIEISA-N 0 1 235.331 2.159 10 0 BEAEMN CCC1([NH2+]Cc2nc(C)cc(=O)[n-]2)CCCC1 ZINC000700480733 711994289 /nfs/dbraw/zinc/99/42/89/711994289.db2.gz TWZJCDOXOQANHW-UHFFFAOYSA-N 0 1 235.331 2.303 10 0 BEAEMN C[C@@H](NCc1c(F)ccc(F)c1Cl)[C@H](C)O ZINC000705553936 712132788 /nfs/dbraw/zinc/13/27/88/712132788.db2.gz GNLYZDGRNFBGFQ-RQJHMYQMSA-N 0 1 249.688 2.477 10 0 BEAEMN NC1(c2ncc(-c3ccccc3)cn2)CCC1 ZINC000711302286 712293624 /nfs/dbraw/zinc/29/36/24/712293624.db2.gz NXFCNEZZPXROJV-UHFFFAOYSA-N 0 1 225.295 2.482 10 0 BEAEMN CCN1CC[C@@H]1CNc1nccnc1C(C)C ZINC000712590680 712435197 /nfs/dbraw/zinc/43/51/97/712435197.db2.gz FAFKZVYIXRLZTH-LLVKDONJSA-N 0 1 234.347 2.106 10 0 BEAEMN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921435 712542610 /nfs/dbraw/zinc/54/26/10/712542610.db2.gz LHIGZQLOMHSYLX-CYZMBNFOSA-N 0 1 242.326 2.022 10 0 BEAEMN Cc1n[nH]c(CN[C@H](C)c2cncc(F)c2)c1C ZINC000716461665 712562793 /nfs/dbraw/zinc/56/27/93/712562793.db2.gz PFIMCSJUMAVKCU-SNVBAGLBSA-N 0 1 248.305 2.411 10 0 BEAEMN Cc1[nH]nc(CN[C@H](C)c2cncc(F)c2)c1C ZINC000716461665 712562795 /nfs/dbraw/zinc/56/27/95/712562795.db2.gz PFIMCSJUMAVKCU-SNVBAGLBSA-N 0 1 248.305 2.411 10 0 BEAEMN C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C(C)(C)C(=O)[O-] ZINC000715441462 977756648 /nfs/dbraw/zinc/75/66/48/977756648.db2.gz RPSQXYQTEKEPTF-MNOVXSKESA-N 0 1 225.332 2.218 10 0 BEAEMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C/C=C\Cl)C1 ZINC000213894489 1167749880 /nfs/dbraw/zinc/74/98/80/1167749880.db2.gz YGQNGZIWDGFOSG-QZPNVGJNSA-N 0 1 231.723 2.316 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@H]1C ZINC000706735705 954955741 /nfs/dbraw/zinc/95/57/41/954955741.db2.gz UGZDEXFEVULWKG-UWVGGRQHSA-N 0 1 219.284 2.225 10 0 BEAEMN CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000710540888 955030171 /nfs/dbraw/zinc/03/01/71/955030171.db2.gz XWDYUNVRQKJVGG-OUAUKWLOSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000718087918 955154524 /nfs/dbraw/zinc/15/45/24/955154524.db2.gz WWUVTJJMUZNZJJ-GHMZBOCLSA-N 0 1 237.299 2.273 10 0 BEAEMN CC(C)CCCC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000703949117 969001813 /nfs/dbraw/zinc/00/18/13/969001813.db2.gz DGXVRISJJIYDMT-NSHDSACASA-N 0 1 215.337 2.465 10 0 BEAEMN Cc1ccncc1C[N@@H+](C)CCCCC(=O)[O-] ZINC000719391732 969102584 /nfs/dbraw/zinc/10/25/84/969102584.db2.gz BEHIMUUYBRAMPM-UHFFFAOYSA-N 0 1 236.315 2.077 10 0 BEAEMN CSc1cccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000686957188 976124750 /nfs/dbraw/zinc/12/47/50/976124750.db2.gz YMZKVUSHHXLFCU-SECBINFHSA-N 0 1 239.340 2.313 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000689419878 976254199 /nfs/dbraw/zinc/25/41/99/976254199.db2.gz AXCMFQQNAOOUKG-LBPRGKRZSA-N 0 1 237.274 2.319 10 0 BEAEMN CCC[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000691547572 976366262 /nfs/dbraw/zinc/36/62/62/976366262.db2.gz LQZMTPYECFBFIH-SNVBAGLBSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635893 976379490 /nfs/dbraw/zinc/37/94/90/976379490.db2.gz ZAIFSSWUIGRLDE-QWRGUYRKSA-N 0 1 225.332 2.362 10 0 BEAEMN O=C([O-])[C@H]1CCCCC[N@H+]1CC1CC=CC1 ZINC000692042329 976397704 /nfs/dbraw/zinc/39/77/04/976397704.db2.gz BOFCDEGCJSWHBN-GFCCVEGCSA-N 0 1 223.316 2.282 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000695084406 976776106 /nfs/dbraw/zinc/77/61/06/976776106.db2.gz RMAXJRGKNXMCMZ-VXGBXAGGSA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1[nH+]ccn1CCSCC(C)(C)C(=O)[O-] ZINC000700345451 976951181 /nfs/dbraw/zinc/95/11/81/976951181.db2.gz VJDVORBVLSJALJ-UHFFFAOYSA-N 0 1 242.344 2.036 10 0 BEAEMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703865877 977207272 /nfs/dbraw/zinc/20/72/72/977207272.db2.gz AMLXGOGBRUXTJM-UHFFFAOYSA-N 0 1 242.706 2.032 10 0 BEAEMN C[N@@H+](Cc1ccc(Cl)cn1)C(C)(C)C(=O)[O-] ZINC000703867500 977208069 /nfs/dbraw/zinc/20/80/69/977208069.db2.gz GUCQBPLDPWVEIO-UHFFFAOYSA-N 0 1 242.706 2.030 10 0 BEAEMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CC(O)(CC)CC ZINC000706413593 977314893 /nfs/dbraw/zinc/31/48/93/977314893.db2.gz ZHGNSGICCPFKMN-NSHDSACASA-N 0 1 245.363 2.113 10 0 BEAEMN O=C([O-])CC1(C[N@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000706448042 977324331 /nfs/dbraw/zinc/32/43/31/977324331.db2.gz FZQFINWSUZQAOJ-LLVKDONJSA-N 0 1 223.316 2.116 10 0 BEAEMN CC[N@@H+](Cc1oncc1C(=O)[O-])[C@@H](C)C(C)C ZINC000706665818 977358158 /nfs/dbraw/zinc/35/81/58/977358158.db2.gz AHRDSKDGVHVXKO-VIFPVBQESA-N 0 1 240.303 2.239 10 0 BEAEMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])[C@@H]1C ZINC000706744913 977360629 /nfs/dbraw/zinc/36/06/29/977360629.db2.gz UOBZVYHGLDLNCQ-GHMZBOCLSA-N 0 1 249.310 2.104 10 0 BEAEMN O=C([O-])c1occc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000706933291 977368963 /nfs/dbraw/zinc/36/89/63/977368963.db2.gz BTNWLUHTJIRTJG-MWLCHTKSSA-N 0 1 235.283 2.352 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1F ZINC000707021593 977373452 /nfs/dbraw/zinc/37/34/52/977373452.db2.gz WTNGBNMVZVNRLH-SKDRFNHKSA-N 0 1 235.258 2.118 10 0 BEAEMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000707021645 977373737 /nfs/dbraw/zinc/37/37/37/977373737.db2.gz XHPSPUVEZISBAO-QPUJVOFHSA-N 0 1 235.258 2.118 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000708821160 977444596 /nfs/dbraw/zinc/44/45/96/977444596.db2.gz DEHYNMNPXUDTLA-NWDGAFQWSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@H](c1cccnc1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710318602 977503211 /nfs/dbraw/zinc/50/32/11/977503211.db2.gz CYYGQHKEGNLZAA-WDMOLILDSA-N 0 1 248.326 2.185 10 0 BEAEMN CSCCC[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711674390 977566220 /nfs/dbraw/zinc/56/62/20/977566220.db2.gz LOYOCBSVDISQRB-PWSUYJOCSA-N 0 1 243.372 2.069 10 0 BEAEMN C=C/C=C/CC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000713714615 977658033 /nfs/dbraw/zinc/65/80/33/977658033.db2.gz BHLSNRRYWDIMPT-ILBNWAPMSA-N 0 1 223.316 2.161 10 0 BEAEMN Cc1cn(Cc2cc(C(=O)[O-])ccc2F)c(C)[nH+]1 ZINC000714427182 977672390 /nfs/dbraw/zinc/67/23/90/977672390.db2.gz FSMDSHLCGPORHC-UHFFFAOYSA-N 0 1 248.257 2.386 10 0 BEAEMN CCc1[nH+]c(C)cn1Cc1cc(C(=O)[O-])c(C)o1 ZINC000714452651 977674726 /nfs/dbraw/zinc/67/47/26/977674726.db2.gz HDBUEGOROIYPPP-UHFFFAOYSA-N 0 1 248.282 2.402 10 0 BEAEMN Cc1cn(Cc2ccc(C(=O)[O-])cc2F)c(C)[nH+]1 ZINC000715101138 977690787 /nfs/dbraw/zinc/69/07/87/977690787.db2.gz LMCRNUQEJNZOMQ-UHFFFAOYSA-N 0 1 248.257 2.386 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000718058840 977937918 /nfs/dbraw/zinc/93/79/18/977937918.db2.gz QFIYGXRWWMAZLD-CYZMBNFOSA-N 0 1 249.310 2.273 10 0 BEAEMN O=C([O-])c1cncc(C[N@H+]2CC3CCC2CC3)c1 ZINC000721538832 978117112 /nfs/dbraw/zinc/11/71/12/978117112.db2.gz FJFGDUGWYUKPKV-UHFFFAOYSA-N 0 1 246.310 2.154 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721583599 978119364 /nfs/dbraw/zinc/11/93/64/978119364.db2.gz GEKXDHUMMPEVFJ-ZJUUUORDSA-N 0 1 234.299 2.010 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N2CCC(C3CC3)CC2)c1 ZINC000724689762 978235718 /nfs/dbraw/zinc/23/57/18/978235718.db2.gz NNHSYVHIFFNLBM-UHFFFAOYSA-N 0 1 246.310 2.406 10 0 BEAEMN CCN1CCC(=O)[C@]12C[C@@H](C)CC[C@@H]2C ZINC000685955092 538900228 /nfs/dbraw/zinc/90/02/28/538900228.db2.gz SUYQGVMPHXQSPK-GMXVVIOVSA-N 0 1 209.333 2.476 10 0 BEAEMN CCCC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1 ZINC000685961364 538908644 /nfs/dbraw/zinc/90/86/44/538908644.db2.gz HDHRTZUEDDHLJU-RISCZKNCSA-N 0 1 235.327 2.288 10 0 BEAEMN CC(=O)c1nn(CCC(C)(C)C)cc1O ZINC000685965497 538911991 /nfs/dbraw/zinc/91/19/91/538911991.db2.gz HASOWNMMVJODKJ-UHFFFAOYSA-N 0 1 210.277 2.228 10 0 BEAEMN Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1N ZINC000020071818 178006226 /nfs/dbraw/zinc/00/62/26/178006226.db2.gz CCZRSFOJHBJTGY-VXGBXAGGSA-N 0 1 234.343 2.186 10 0 BEAEMN Cc1cc(Cn2cnc3ccccc32)oc1CN ZINC000052576380 178074540 /nfs/dbraw/zinc/07/45/40/178074540.db2.gz CCBVTLQJRLLOKX-UHFFFAOYSA-N 0 1 241.294 2.445 10 0 BEAEMN Cc1cc(Cn2c(N)nc3ccc(F)cc32)on1 ZINC000052123159 178072999 /nfs/dbraw/zinc/07/29/99/178072999.db2.gz FBRRHGPUCOKLAN-UHFFFAOYSA-N 0 1 246.245 2.102 10 0 BEAEMN Cc1cc([C@H](C)NC[C@@H](O)C(C)(C)C)no1 ZINC000336729013 178247898 /nfs/dbraw/zinc/24/78/98/178247898.db2.gz CWYAZLOSGFIYCG-GXSJLCMTSA-N 0 1 226.320 2.041 10 0 BEAEMN Cc1cc2c3[nH]n(C)c(=O)c3cnc2cc1Cl ZINC000072237412 178289448 /nfs/dbraw/zinc/28/94/48/178289448.db2.gz QCWIYROZBPSWGW-UHFFFAOYSA-N 0 1 247.685 2.377 10 0 BEAEMN CCC(C(=O)C(F)F)=C(O)C1CCC1 ZINC000322896908 538940102 /nfs/dbraw/zinc/94/01/02/538940102.db2.gz FMIQAISFADQQLJ-ZETCQYMHSA-N 0 1 204.216 2.216 10 0 BEAEMN CCC(CC)N(C)C(=O)[C@H](N)c1ccccc1 ZINC000036789259 168367744 /nfs/dbraw/zinc/36/77/44/168367744.db2.gz VHDXQQNRPNHNTM-CYBMUJFWSA-N 0 1 234.343 2.333 10 0 BEAEMN Cc1ccc(-c2nc(CN)co2)c(C)c1 ZINC000082639121 178334055 /nfs/dbraw/zinc/33/40/55/178334055.db2.gz OGIKSDOIHOBADR-UHFFFAOYSA-N 0 1 202.257 2.417 10 0 BEAEMN Cc1ccc(-c2nc([C@@H](C)N)no2)cc1 ZINC000041052259 178335946 /nfs/dbraw/zinc/33/59/46/178335946.db2.gz RQBLVARXIFPGKQ-MRVPVSSYSA-N 0 1 203.245 2.065 10 0 BEAEMN Nc1csc2c1[nH]c(-c1ccncc1)nc2=O ZINC000148918966 342792519 /nfs/dbraw/zinc/79/25/19/342792519.db2.gz AQANQAFTRLTRSE-UHFFFAOYSA-N 0 1 244.279 2.041 10 0 BEAEMN Nc1ccc2nc(SC(F)F)[nH]c2c1 ZINC000042142119 361960144 /nfs/dbraw/zinc/96/01/44/361960144.db2.gz TXMBXJBKITWKOP-UHFFFAOYSA-N 0 1 215.228 2.460 10 0 BEAEMN C[C@H]1C[C@]2(CS1)NC[C@@H](C)CS2 ZINC000226587298 342842673 /nfs/dbraw/zinc/84/26/73/342842673.db2.gz YFMNBZORCATZLI-VGMNWLOBSA-N 0 1 203.376 2.181 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1ccc(Cl)o1 ZINC000134534113 342863025 /nfs/dbraw/zinc/86/30/25/342863025.db2.gz RZRDDCIVXKCNKJ-IONNQARKSA-N 0 1 215.680 2.200 10 0 BEAEMN Cc1nnc(CN[C@H]2CC[C@H](C)C2)s1 ZINC000134664065 342875806 /nfs/dbraw/zinc/87/58/06/342875806.db2.gz JDGZDBNDFQASHR-CBAPKCEASA-N 0 1 211.334 2.125 10 0 BEAEMN Cc1nnc(CN[C@@H]2CC[C@H](C)C2)s1 ZINC000134664046 342875997 /nfs/dbraw/zinc/87/59/97/342875997.db2.gz JDGZDBNDFQASHR-IONNQARKSA-N 0 1 211.334 2.125 10 0 BEAEMN CNCc1nc2cc(Cl)c(F)cc2o1 ZINC000134472422 342856921 /nfs/dbraw/zinc/85/69/21/342856921.db2.gz FOJMFAJROZDWIM-UHFFFAOYSA-N 0 1 214.627 2.340 10 0 BEAEMN CN(C[C@H]1CC[N@@H+](C)C1)c1nc(Cl)cs1 ZINC000165187341 342880530 /nfs/dbraw/zinc/88/05/30/342880530.db2.gz JUHQCCXCFQWWMO-QMMMGPOBSA-N 0 1 245.779 2.184 10 0 BEAEMN O=C([O-])C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000042163198 398330872 /nfs/dbraw/zinc/33/08/72/398330872.db2.gz CPNNKMDMUJGDLG-LLVKDONJSA-N 0 1 211.305 2.258 10 0 BEAEMN COC(=O)C[C@H](N)c1c(F)cccc1Cl ZINC000019784028 342957427 /nfs/dbraw/zinc/95/74/27/342957427.db2.gz VUTKSGYZZKIRDU-QMMMGPOBSA-N 0 1 231.654 2.042 10 0 BEAEMN C[N@H+]1CCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000220107822 344021148 /nfs/dbraw/zinc/02/11/48/344021148.db2.gz LSHLBNZDUTUOLI-NSHDSACASA-N 0 1 205.257 2.152 10 0 BEAEMN FC(F)(F)c1ccn([C@@H]2CCCCN2)n1 ZINC000584880849 343081567 /nfs/dbraw/zinc/08/15/67/343081567.db2.gz JHDBXMGBZRCGMX-MRVPVSSYSA-N 0 1 219.210 2.174 10 0 BEAEMN Cc1cc(CN)oc1C(=O)OC(C)(C)C ZINC000584881336 343082483 /nfs/dbraw/zinc/08/24/83/343082483.db2.gz HLWGWBPJROOOPG-UHFFFAOYSA-N 0 1 211.261 2.002 10 0 BEAEMN Cc1ccc2c(N)c(N)cnc2c1Cl ZINC000584881837 343083208 /nfs/dbraw/zinc/08/32/08/343083208.db2.gz DEKDJLMQDSNIBH-UHFFFAOYSA-N 0 1 207.664 2.361 10 0 BEAEMN Cc1ccc(Cl)c2c(N)c(N)cnc12 ZINC000584882860 343085418 /nfs/dbraw/zinc/08/54/18/343085418.db2.gz XBVXNUNDELZJFX-UHFFFAOYSA-N 0 1 207.664 2.191 10 0 BEAEMN CC1(C)C[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000259389284 343107565 /nfs/dbraw/zinc/10/75/65/343107565.db2.gz LPJQJQDQBAFSQW-GFCCVEGCSA-N 0 1 233.311 2.372 10 0 BEAEMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000092925683 343148432 /nfs/dbraw/zinc/14/84/32/343148432.db2.gz CEKLZWZHAAEGEI-WXHSDQCUSA-N 0 1 245.322 2.121 10 0 BEAEMN CC(C)([NH3+])c1ccc([O-])c(Br)c1 ZINC000083071112 187242648 /nfs/dbraw/zinc/24/26/48/187242648.db2.gz GGCWPKGPJUEEAM-UHFFFAOYSA-N 0 1 230.105 2.349 10 0 BEAEMN C[C@@H](NCc1ccnn1C)c1ccc(F)cc1 ZINC000036901157 343326949 /nfs/dbraw/zinc/32/69/49/343326949.db2.gz LUTVYSQUSUJAIG-SNVBAGLBSA-N 0 1 233.290 2.410 10 0 BEAEMN C[C@@H](NCc1ccnn1C)c1cccc(F)c1 ZINC000036901260 343327258 /nfs/dbraw/zinc/32/72/58/343327258.db2.gz ZGQVLZGHTUMXJP-SNVBAGLBSA-N 0 1 233.290 2.410 10 0 BEAEMN CC(C)(C)OC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 ZINC000037729907 343352818 /nfs/dbraw/zinc/35/28/18/343352818.db2.gz OCFZHGWTHXLDLR-GARJFASQSA-N 0 1 225.332 2.249 10 0 BEAEMN Cc1cc(CNCCOc2ccccc2)on1 ZINC000044292655 343497648 /nfs/dbraw/zinc/49/76/48/343497648.db2.gz AGHZYMRZUKWRLF-UHFFFAOYSA-N 0 1 232.283 2.152 10 0 BEAEMN CC(C)N1CCO[C@@H](c2ccccc2CCO)C1 ZINC000616645531 343530560 /nfs/dbraw/zinc/53/05/60/343530560.db2.gz RHQRJBDSUZOERL-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CCn1cncc1[C@@H]1NCCc2ccsc21 ZINC000712541698 537789357 /nfs/dbraw/zinc/78/93/57/537789357.db2.gz AFVQWIDJQWIVGE-NSHDSACASA-N 0 1 233.340 2.200 10 0 BEAEMN CC(C)N(CC1CC1)C(=O)[C@H](N)c1ccccc1 ZINC000042591495 187266370 /nfs/dbraw/zinc/26/63/70/187266370.db2.gz WKRIEEVUJCIQKV-CQSZACIVSA-N 0 1 246.354 2.333 10 0 BEAEMN FC(F)(F)c1cnc(NCC2(F)CC2)[nH]1 ZINC000379971491 343662358 /nfs/dbraw/zinc/66/23/58/343662358.db2.gz BLQLBHBPFOHMIN-UHFFFAOYSA-N 0 1 223.173 2.343 10 0 BEAEMN Cc1cn2c(n1)NCC[C@@H]2[C@H]1CC[C@H](C)O1 ZINC000300017266 537802909 /nfs/dbraw/zinc/80/29/09/537802909.db2.gz QYXWRBVLRMVIJG-HBNTYKKESA-N 0 1 221.304 2.116 10 0 BEAEMN C[N@H+]1CCC[C@@H](CNc2cccc(C(=O)[O-])c2)C1 ZINC000054240612 187272122 /nfs/dbraw/zinc/27/21/22/187272122.db2.gz LIHXYCIRDPKQDK-NSHDSACASA-N 0 1 248.326 2.139 10 0 BEAEMN CC(C)C[C@@H](N)c1nncn1C1CCCC1 ZINC000054526451 187272254 /nfs/dbraw/zinc/27/22/54/187272254.db2.gz WEDFHIMZGYYNOU-LLVKDONJSA-N 0 1 222.336 2.439 10 0 BEAEMN N#Cc1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000039323539 343783828 /nfs/dbraw/zinc/78/38/28/343783828.db2.gz VQIJTHMYZMBWNX-VIFPVBQESA-N 0 1 230.654 2.365 10 0 BEAEMN CC(C(=O)C(F)(F)F)=C(O)C1CCC1 ZINC000323918261 537813624 /nfs/dbraw/zinc/81/36/24/537813624.db2.gz ZKOGSLMLDYQATG-RXMQYKEDSA-N 0 1 208.179 2.123 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@@H]1c1cccc(Cl)c1 ZINC000212890900 343791922 /nfs/dbraw/zinc/79/19/22/343791922.db2.gz WKLWDSQICCQFGI-MWLCHTKSSA-N 0 1 239.702 2.417 10 0 BEAEMN O=C([O-])C1CCC([N@@H+]2CCCC(F)(F)C2)CC1 ZINC000409422083 343812794 /nfs/dbraw/zinc/81/27/94/343812794.db2.gz AKPOYBNFVQQHFG-UHFFFAOYSA-N 0 1 247.285 2.361 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CCCC(F)(F)C2)CC1 ZINC000409422083 343812795 /nfs/dbraw/zinc/81/27/95/343812795.db2.gz AKPOYBNFVQQHFG-UHFFFAOYSA-N 0 1 247.285 2.361 10 0 BEAEMN CCn1c(C)nnc1CN1CCCC[C@@H](C)C1 ZINC000187916668 259371470 /nfs/dbraw/zinc/37/14/70/259371470.db2.gz DGWKWPYLZHBTFR-LLVKDONJSA-N 0 1 236.363 2.228 10 0 BEAEMN CCc1n[nH]c(CC(C)C)c1CCC(=O)OC ZINC000409440687 343852927 /nfs/dbraw/zinc/85/29/27/343852927.db2.gz NVOXVEVRRFZHML-UHFFFAOYSA-N 0 1 238.331 2.276 10 0 BEAEMN CC(C)[N@H+]1CCC[C@H]1c1csc(N)n1 ZINC000072367743 187276546 /nfs/dbraw/zinc/27/65/46/187276546.db2.gz DIMGUSXXXKOSOF-VIFPVBQESA-N 0 1 211.334 2.271 10 0 BEAEMN CC(C)N1CCC[C@H]1c1csc(N)n1 ZINC000072367743 187276547 /nfs/dbraw/zinc/27/65/47/187276547.db2.gz DIMGUSXXXKOSOF-VIFPVBQESA-N 0 1 211.334 2.271 10 0 BEAEMN N=C(NO)[C@@H](c1cccs1)N1CCCCC1 ZINC000409441804 343861288 /nfs/dbraw/zinc/86/12/88/343861288.db2.gz RDBXAKHBGGGDBH-SNVBAGLBSA-N 0 1 239.344 2.231 10 0 BEAEMN CC[C@H](C)c1nnc([C@H](N)C(C)(C)C)[nH]1 ZINC000616573877 344186056 /nfs/dbraw/zinc/18/60/56/344186056.db2.gz LURSKXHDOOSSRV-YUMQZZPRSA-N 0 1 210.325 2.364 10 0 BEAEMN COc1cccc([C@@H](C)NCc2cncnc2)c1 ZINC000054767929 344251590 /nfs/dbraw/zinc/25/15/90/344251590.db2.gz GTMVFFYVTNFRKT-LLVKDONJSA-N 0 1 243.310 2.336 10 0 BEAEMN Cc1nc2c([nH]1)C[C@@H](C(F)(F)F)CC2 ZINC000216980000 344353727 /nfs/dbraw/zinc/35/37/27/344353727.db2.gz RAMWNNPWLYDBDE-LURJTMIESA-N 0 1 204.195 2.385 10 0 BEAEMN Cc1nc2c([nH]1)CC[C@H](C(F)(F)F)C2 ZINC000216980000 344353730 /nfs/dbraw/zinc/35/37/30/344353730.db2.gz RAMWNNPWLYDBDE-LURJTMIESA-N 0 1 204.195 2.385 10 0 BEAEMN CCOC(=O)N1CCCC[C@H]1c1cnc[nH]1 ZINC000616615777 344544018 /nfs/dbraw/zinc/54/40/18/344544018.db2.gz SFBBYJUNWCUZRJ-JTQLQIEISA-N 0 1 223.276 2.093 10 0 BEAEMN CS[C@@H]1CC[C@H](N2CCC(=O)[C@@H](C)C2)C1 ZINC000235122078 344804494 /nfs/dbraw/zinc/80/44/94/344804494.db2.gz JCJVQOMZVZVDIL-GARJFASQSA-N 0 1 227.373 2.181 10 0 BEAEMN Cc1cc([C@H]2NCCc3nc[nH]c32)cs1 ZINC000400570648 537860924 /nfs/dbraw/zinc/86/09/24/537860924.db2.gz QFQTUJPHECVMRG-SNVBAGLBSA-N 0 1 219.313 2.015 10 0 BEAEMN CS[C@H]1CCC[C@H](N2CCC(=O)CC2)C1 ZINC000235190789 344841641 /nfs/dbraw/zinc/84/16/41/344841641.db2.gz FNMIOEMWSJDBIL-JQWIXIFHSA-N 0 1 227.373 2.326 10 0 BEAEMN CSC1(CN2CC(C)=NC2=S)CC1 ZINC000235237951 344852953 /nfs/dbraw/zinc/85/29/53/344852953.db2.gz DKKWTOUYJOJLCT-UHFFFAOYSA-N 0 1 214.359 2.376 10 0 BEAEMN C[C@@H]1CCC[C@H](CN2CCC(=O)CC2)C1 ZINC000235339954 344887683 /nfs/dbraw/zinc/88/76/83/344887683.db2.gz FVEYWUUVLZVRRH-NEPJUHHUSA-N 0 1 209.333 2.478 10 0 BEAEMN CCc1cc(=O)[n-]c(C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000120888231 344903873 /nfs/dbraw/zinc/90/38/73/344903873.db2.gz GOEPGFIAIBRATA-SECBINFHSA-N 0 1 237.347 2.269 10 0 BEAEMN Cc1cc(-c2ncc(CO)[nH]2)c(C)s1 ZINC000062820640 347085286 /nfs/dbraw/zinc/08/52/86/347085286.db2.gz NKHVECNHUCUMSS-UHFFFAOYSA-N 0 1 208.286 2.247 10 0 BEAEMN CCN[C@@H](C)c1cn(Cc2ccc(F)cc2)nn1 ZINC000385653443 345019295 /nfs/dbraw/zinc/01/92/95/345019295.db2.gz BBLGBMYTXAJVGX-JTQLQIEISA-N 0 1 248.305 2.136 10 0 BEAEMN F[C@H](c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000408499145 345387266 /nfs/dbraw/zinc/38/72/66/345387266.db2.gz MEHYHSXVMJMUIV-ZETCQYMHSA-N 0 1 246.167 2.277 10 0 BEAEMN O=C1CCC[C@H]1N1Cc2ccccc2C1 ZINC000050911712 345626358 /nfs/dbraw/zinc/62/63/58/345626358.db2.gz LCHOAGRNNDPNRD-GFCCVEGCSA-N 0 1 201.269 2.124 10 0 BEAEMN C[C@H](c1ccc[nH]1)[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000253605742 345692132 /nfs/dbraw/zinc/69/21/32/345692132.db2.gz BHBUOQLEZBJNCL-KOLCDFICSA-N 0 1 222.288 2.015 10 0 BEAEMN COC(=O)C1C(=O)CCc2cc(OC)ccc21 ZINC000114162503 345755623 /nfs/dbraw/zinc/75/56/23/345755623.db2.gz FTOBYMIPECACHZ-UHFFFAOYSA-N 0 1 234.251 2.084 10 0 BEAEMN COc1ccc([C@@H]2NC[C@@H](C)S2)cc1 ZINC000033878029 345704168 /nfs/dbraw/zinc/70/41/68/345704168.db2.gz CUYFTBAWLQPXHY-LDYMZIIASA-N 0 1 209.314 2.419 10 0 BEAEMN COc1ccc([C@H]2NC[C@@H](C)S2)cc1 ZINC000033878027 345704557 /nfs/dbraw/zinc/70/45/57/345704557.db2.gz CUYFTBAWLQPXHY-KCJUWKMLSA-N 0 1 209.314 2.419 10 0 BEAEMN COC(=O)[C@H]1CCC[C@H](c2ccccc2)C1=O ZINC000168771153 345822877 /nfs/dbraw/zinc/82/28/77/345822877.db2.gz SZKVDOPDAHZUIS-NEPJUHHUSA-N 0 1 232.279 2.312 10 0 BEAEMN CC[C@H](CSC)NCc1ncnn1C(C)C ZINC000217329787 346299575 /nfs/dbraw/zinc/29/95/75/346299575.db2.gz IRXIROIMAXLEJI-SNVBAGLBSA-N 0 1 242.392 2.090 10 0 BEAEMN Cc1cccc(C)c1-c1nnc(NN)s1 ZINC000027998195 179028905 /nfs/dbraw/zinc/02/89/05/179028905.db2.gz BGPXMNHRACLTRU-UHFFFAOYSA-N 0 1 220.301 2.108 10 0 BEAEMN Cc1cccc(C)c1N(C(=O)CN)C(C)C ZINC000082288978 179039003 /nfs/dbraw/zinc/03/90/03/179039003.db2.gz XTROKJGKHGPNON-UHFFFAOYSA-N 0 1 220.316 2.004 10 0 BEAEMN Cc1cccc(CNCc2cnccn2)c1 ZINC000054765636 179095761 /nfs/dbraw/zinc/09/57/61/179095761.db2.gz NYNHIFHIDSVACO-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN Cc1cccc(CNCc2ccncc2)n1 ZINC000048329739 179096757 /nfs/dbraw/zinc/09/67/57/179096757.db2.gz ZRRSBMBHECPHLR-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN Cc1cc(F)ccc1C(=O)[C@@H](N)C(C)C ZINC000167824515 346718948 /nfs/dbraw/zinc/71/89/48/346718948.db2.gz XNXFMKKWABGHOE-NSHDSACASA-N 0 1 209.264 2.300 10 0 BEAEMN Cc1cccc([C@@H](N)c2cnccn2)c1C ZINC000053329512 179186087 /nfs/dbraw/zinc/18/60/87/179186087.db2.gz XMYSGLJHAAJDID-CYBMUJFWSA-N 0 1 213.284 2.142 10 0 BEAEMN CCCSc1nc[nH]c(=O)c1Br ZINC000159120094 347290665 /nfs/dbraw/zinc/29/06/65/347290665.db2.gz BIZTZNAHFAXOGJ-UHFFFAOYSA-N 0 1 249.133 2.035 10 0 BEAEMN Cc1cccc([C@H](N)c2cnccn2)c1C ZINC000053329509 179201108 /nfs/dbraw/zinc/20/11/08/179201108.db2.gz XMYSGLJHAAJDID-ZDUSSCGKSA-N 0 1 213.284 2.142 10 0 BEAEMN COC(=O)c1cccnc1CN(C)CCC1CC1 ZINC000310884439 347317004 /nfs/dbraw/zinc/31/70/04/347317004.db2.gz XFTYTOANQWOJAI-UHFFFAOYSA-N 0 1 248.326 2.100 10 0 BEAEMN Cc1ccccc1C[C@H](N)c1ncccn1 ZINC000037467246 179291944 /nfs/dbraw/zinc/29/19/44/179291944.db2.gz AMSFNCOPEKBOQC-LBPRGKRZSA-N 0 1 213.284 2.028 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000251693184 362899306 /nfs/dbraw/zinc/89/93/06/362899306.db2.gz AXILZYGZFANPNQ-OPRDCNLKSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@@H]1C[C@]2(CS1)N[C@H](C)CCS2 ZINC000251751844 362906493 /nfs/dbraw/zinc/90/64/93/362906493.db2.gz SJCCXMLSQWYPQL-HLTSFMKQSA-N 0 1 203.376 2.323 10 0 BEAEMN Cc1cnc(OCc2ccccc2)[nH]c1=O ZINC000039109799 179643426 /nfs/dbraw/zinc/64/34/26/179643426.db2.gz JMQYEYDLVSAHHT-UHFFFAOYSA-N 0 1 216.240 2.070 10 0 BEAEMN OC(=C[C@@H](O)C(F)(F)F)c1ccc(F)cc1 ZINC000198778619 348965193 /nfs/dbraw/zinc/96/51/93/348965193.db2.gz YWIQGKHRIXETEI-SECBINFHSA-N 0 1 236.164 2.322 10 0 BEAEMN O=C([O-])[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000616574855 349082069 /nfs/dbraw/zinc/08/20/69/349082069.db2.gz ZERXVSHVLKLRSC-RDBSUJKOSA-N 0 1 245.322 2.229 10 0 BEAEMN OC[C@@H]1C[C@H]1NCc1ccc(Cl)cc1Cl ZINC000308912876 349066794 /nfs/dbraw/zinc/06/67/94/349066794.db2.gz YUCQACOBXHZRTP-GZMMTYOYSA-N 0 1 246.137 2.464 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000051733234 350080478 /nfs/dbraw/zinc/08/04/78/350080478.db2.gz IJFGSRTVWXCKBM-MXWKQRLJSA-N 0 1 213.321 2.216 10 0 BEAEMN COC(=O)c1cccnc1CN(C)[C@@H](C)C1CC1 ZINC000302286805 350069655 /nfs/dbraw/zinc/06/96/55/350069655.db2.gz FUUMHUNUQQMSAG-JTQLQIEISA-N 0 1 248.326 2.099 10 0 BEAEMN Cc1nnc(NC(=O)C[C@@H](C)C(C)(C)C)[nH]1 ZINC000108810234 180007038 /nfs/dbraw/zinc/00/70/38/180007038.db2.gz KVDFFFNAEGOPGC-SSDOTTSWSA-N 0 1 224.308 2.124 10 0 BEAEMN Cc1nc([C@@]2(N)C[C@H](C)CC(C)(C)C2)no1 ZINC000036762411 180047246 /nfs/dbraw/zinc/04/72/46/180047246.db2.gz QRCKZJUMXYBVQZ-PRHODGIISA-N 0 1 223.320 2.378 10 0 BEAEMN Cc1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C ZINC000029307548 180087812 /nfs/dbraw/zinc/08/78/12/180087812.db2.gz GVTSHWPIZMVHHT-UHFFFAOYSA-N 0 1 215.256 2.101 10 0 BEAEMN CCC(C)(CC)Nc1nc[nH]c(=O)c1Cl ZINC000230963123 350158560 /nfs/dbraw/zinc/15/85/60/350158560.db2.gz PBTHRKPJVYODPL-UHFFFAOYSA-N 0 1 229.711 2.414 10 0 BEAEMN Cc1ncc(CNCc2ccccc2N)s1 ZINC000049538880 180154146 /nfs/dbraw/zinc/15/41/46/180154146.db2.gz OSEUTBNIFNRMAO-UHFFFAOYSA-N 0 1 233.340 2.324 10 0 BEAEMN Cc1ncc(CNCc2ccc(O)cc2)s1 ZINC000040997290 180154643 /nfs/dbraw/zinc/15/46/43/180154643.db2.gz XJPWKRMTARNJSC-UHFFFAOYSA-N 0 1 234.324 2.447 10 0 BEAEMN Nc1ccc(-c2nc(C(F)(F)F)n[nH]2)cc1 ZINC000072236815 350191548 /nfs/dbraw/zinc/19/15/48/350191548.db2.gz SUFSGDSBJGIRHD-UHFFFAOYSA-N 0 1 228.177 2.073 10 0 BEAEMN Cc1[nH+]ccn1Cc1cccc(/C=C/C(=O)[O-])c1 ZINC000049626957 180270208 /nfs/dbraw/zinc/27/02/08/180270208.db2.gz MBHWKPZSTOJQPU-AATRIKPKSA-N 0 1 242.278 2.338 10 0 BEAEMN CSCCc1nc2cc(N)ccc2[nH]1 ZINC000038063622 350300946 /nfs/dbraw/zinc/30/09/46/350300946.db2.gz CGAZVMISGIIPOK-UHFFFAOYSA-N 0 1 207.302 2.051 10 0 BEAEMN CC[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H]1C(=O)[O-] ZINC000251859457 362957236 /nfs/dbraw/zinc/95/72/36/362957236.db2.gz SPUJASWARSQWRJ-MXWKQRLJSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)(C)N1CCCOC[C@H]1c1ccno1 ZINC000616596831 350637824 /nfs/dbraw/zinc/63/78/24/350637824.db2.gz IMLSKYOQQHXPHS-JTQLQIEISA-N 0 1 224.304 2.237 10 0 BEAEMN CC[N@H+]1CCOCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616599609 350753947 /nfs/dbraw/zinc/75/39/47/350753947.db2.gz SMZOKYNUDWNUHD-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(=O)Nc1cccc([C@H]2COCCC[N@@H+]2C)c1 ZINC000616600069 350779578 /nfs/dbraw/zinc/77/95/78/350779578.db2.gz ZTMRUMCRKWVLGZ-CQSZACIVSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(=O)Nc1cccc([C@H]2COCCCN2C)c1 ZINC000616600069 350779580 /nfs/dbraw/zinc/77/95/80/350779580.db2.gz ZTMRUMCRKWVLGZ-CQSZACIVSA-N 0 1 248.326 2.038 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177546974 366008114 /nfs/dbraw/zinc/00/81/14/366008114.db2.gz IZTZMHDRQWWYIK-CHWSQXEVSA-N 0 1 248.374 2.228 10 0 BEAEMN CC(C)(C)[N@H+]1CCCC[C@H]1c1cc(N)n[nH]1 ZINC000616615519 350847604 /nfs/dbraw/zinc/84/76/04/350847604.db2.gz OWVQHZOGTHWHFT-JTQLQIEISA-N 0 1 222.336 2.148 10 0 BEAEMN CNC1(C(=O)c2sccc2C)CCC1 ZINC000306706286 350853296 /nfs/dbraw/zinc/85/32/96/350853296.db2.gz PXUYLUGMLJREHG-UHFFFAOYSA-N 0 1 209.314 2.381 10 0 BEAEMN CC1=NC(=S)N(C[C@@H]2CCSC2)C1 ZINC000228599551 350827098 /nfs/dbraw/zinc/82/70/98/350827098.db2.gz LQFPEVXPAXLINJ-QMMMGPOBSA-N 0 1 214.359 2.233 10 0 BEAEMN C[C@H]1CN(C[C@H]2CCCCS2)CCC1=O ZINC000251864381 350905482 /nfs/dbraw/zinc/90/54/82/350905482.db2.gz STEQYIPNRWLEJQ-WDEREUQCSA-N 0 1 227.373 2.183 10 0 BEAEMN NCc1nccn1Cc1sccc1Cl ZINC000306736166 350907334 /nfs/dbraw/zinc/90/73/34/350907334.db2.gz XCKGWUBFDVGQKP-UHFFFAOYSA-N 0 1 227.720 2.105 10 0 BEAEMN CC(C)N1CCCCC[C@H]1c1conn1 ZINC000616620066 350931870 /nfs/dbraw/zinc/93/18/70/350931870.db2.gz CGDGYEZPPSNMCX-NSHDSACASA-N 0 1 209.293 2.395 10 0 BEAEMN CSCc1nc(=O)c2cscc2[nH]1 ZINC000306722608 350890165 /nfs/dbraw/zinc/89/01/65/350890165.db2.gz FXTQUQVQVJVBIH-UHFFFAOYSA-N 0 1 212.299 2.260 10 0 BEAEMN Cc1cocc1C(=O)[C@@]1(C)CCCCN1 ZINC000306810214 351063771 /nfs/dbraw/zinc/06/37/71/351063771.db2.gz TXTKXPNBQFWIRT-GFCCVEGCSA-N 0 1 207.273 2.303 10 0 BEAEMN Cc1ccc(CN(C)CCOC(C)C)o1 ZINC000052927532 351079468 /nfs/dbraw/zinc/07/94/68/351079468.db2.gz ZOUAFBGOFFAECP-UHFFFAOYSA-N 0 1 211.305 2.445 10 0 BEAEMN COC(=O)N1CCCCC[C@H]1c1cnc[nH]1 ZINC000616624193 351091314 /nfs/dbraw/zinc/09/13/14/351091314.db2.gz XUVUYOJKJGNALM-JTQLQIEISA-N 0 1 223.276 2.093 10 0 BEAEMN CC(C)[N@H+]1CCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616644348 351163560 /nfs/dbraw/zinc/16/35/60/351163560.db2.gz BJHLSESBZHTLND-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)[N@H+]1CCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616645303 351168004 /nfs/dbraw/zinc/16/80/04/351168004.db2.gz BJHLSESBZHTLND-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CN1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616651267 351181757 /nfs/dbraw/zinc/18/17/57/351181757.db2.gz FAJXENLMWZDWHJ-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN COc1cccc([C@@H]2CN(C)CCCO2)c1 ZINC000616650434 351184396 /nfs/dbraw/zinc/18/43/96/351184396.db2.gz AAOAICJUNNCNKR-ZDUSSCGKSA-N 0 1 221.300 2.088 10 0 BEAEMN C[C@@H]1C[C@@H]([NH2+]Cc2cnn[n-]2)CC(C)(C)C1 ZINC000398405295 351137578 /nfs/dbraw/zinc/13/75/78/351137578.db2.gz OSTIKRSZPIKDPV-NXEZZACHSA-N 0 1 222.336 2.109 10 0 BEAEMN CN1CCc2ccccc2[C@H]1c1ccnnc1 ZINC000616679008 351249176 /nfs/dbraw/zinc/24/91/76/351249176.db2.gz IIZVNMHIXVINMQ-CQSZACIVSA-N 0 1 225.295 2.054 10 0 BEAEMN CCN1CCc2ccccc2[C@@H]1c1cccnn1 ZINC000616679425 351250323 /nfs/dbraw/zinc/25/03/23/351250323.db2.gz VJRKAJYKUUGBOV-OAHLLOKOSA-N 0 1 239.322 2.444 10 0 BEAEMN CC[C@H](N)C(=O)c1ccc(C)c(F)c1F ZINC000231741118 351278975 /nfs/dbraw/zinc/27/89/75/351278975.db2.gz YXRODIDPFFEMNB-QMMMGPOBSA-N 0 1 213.227 2.193 10 0 BEAEMN NNC(=S)Nc1ccccc1SC(F)F ZINC000034940179 351356757 /nfs/dbraw/zinc/35/67/57/351356757.db2.gz NESXAAYGYIZWLW-UHFFFAOYSA-N 0 1 249.311 2.161 10 0 BEAEMN Cn1cc([C@H](N)c2c(F)cccc2Cl)cn1 ZINC000034957706 351362790 /nfs/dbraw/zinc/36/27/90/351362790.db2.gz CPJICUNYISBSHU-NSHDSACASA-N 0 1 239.681 2.261 10 0 BEAEMN Brc1ccoc1[C@@H]1C=CCN1 ZINC000307003186 351413756 /nfs/dbraw/zinc/41/37/56/351413756.db2.gz DDJSJILZDDOUKA-ZETCQYMHSA-N 0 1 214.062 2.243 10 0 BEAEMN Cc1cnc(N[C@H](C)C(F)F)c(N)c1 ZINC000307012236 351420480 /nfs/dbraw/zinc/42/04/80/351420480.db2.gz KRJMEOPHNIYWQN-ZCFIWIBFSA-N 0 1 201.220 2.038 10 0 BEAEMN CC(=O)c1cc(O)c(Br)cc1F ZINC000307168910 351543740 /nfs/dbraw/zinc/54/37/40/351543740.db2.gz WJPUPBLIPSXWJI-UHFFFAOYSA-N 0 1 233.036 2.496 10 0 BEAEMN N[C@@H](c1occc1Br)C1CSC1 ZINC000404899530 363071662 /nfs/dbraw/zinc/07/16/62/363071662.db2.gz AGQYVNAGZJQGGA-SSDOTTSWSA-N 0 1 248.145 2.405 10 0 BEAEMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942703 363073885 /nfs/dbraw/zinc/07/38/85/363073885.db2.gz HPKUMXLCLDGFQY-IUCAKERBSA-N 0 1 238.287 2.136 10 0 BEAEMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942702 363073920 /nfs/dbraw/zinc/07/39/20/363073920.db2.gz HPKUMXLCLDGFQY-DTWKUNHWSA-N 0 1 238.287 2.136 10 0 BEAEMN Cc1nsc([C@@]2(N)CCC[C@H](C)C2)n1 ZINC000307303038 351928920 /nfs/dbraw/zinc/92/89/20/351928920.db2.gz FOUMACPHNXICBC-OIBJUYFYSA-N 0 1 211.334 2.211 10 0 BEAEMN COc1nc([C@@H]2C[C@@H](C)CCN2)cs1 ZINC000307608748 352667106 /nfs/dbraw/zinc/66/71/06/352667106.db2.gz DDWWXGGLUSATCL-YUMQZZPRSA-N 0 1 212.318 2.212 10 0 BEAEMN C[C@@H]1NCCC[C@@]1(F)c1ccns1 ZINC000307606886 352668503 /nfs/dbraw/zinc/66/85/03/352668503.db2.gz BUCNUQHUYCGTSE-CBAPKCEASA-N 0 1 200.282 2.080 10 0 BEAEMN CCc1ccccc1C(=O)C1(N)CCC1 ZINC000307519742 352633828 /nfs/dbraw/zinc/63/38/28/352633828.db2.gz OHOZQUGLEOVRGW-UHFFFAOYSA-N 0 1 203.285 2.313 10 0 BEAEMN OCc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000334191392 352782131 /nfs/dbraw/zinc/78/21/31/352782131.db2.gz JTRWVEFUVHOAOK-KGLIPLIRSA-N 0 1 217.312 2.163 10 0 BEAEMN O=C(c1c(O)cccc1F)N1C[C@H]2CCC[C@H]21 ZINC000334285922 352925259 /nfs/dbraw/zinc/92/52/59/352925259.db2.gz KMDOWSHFUKHCJT-PSASIEDQSA-N 0 1 235.258 2.156 10 0 BEAEMN O=C(c1c(O)cccc1F)N1C[C@H]2CCC[C@@H]21 ZINC000334285927 352925713 /nfs/dbraw/zinc/92/57/13/352925713.db2.gz KMDOWSHFUKHCJT-SCZZXKLOSA-N 0 1 235.258 2.156 10 0 BEAEMN O[C@@H]1CCC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225328633 538112026 /nfs/dbraw/zinc/11/20/26/538112026.db2.gz ZKMMMLZYEJFOTE-JGVFFNPUSA-N 0 1 246.763 2.190 10 0 BEAEMN O[C@H]1CCC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225328602 538112166 /nfs/dbraw/zinc/11/21/66/538112166.db2.gz ZKMMMLZYEJFOTE-SFYZADRCSA-N 0 1 246.763 2.190 10 0 BEAEMN CC[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000134451826 538112438 /nfs/dbraw/zinc/11/24/38/538112438.db2.gz LCRBQGATSPHRLX-SNVBAGLBSA-N 0 1 216.288 2.478 10 0 BEAEMN Cc1cc(N(C)Cc2ccccn2)ncc1N ZINC000077342461 188269705 /nfs/dbraw/zinc/26/97/05/188269705.db2.gz XJVPIDUXFXJLOH-UHFFFAOYSA-N 0 1 228.299 2.004 10 0 BEAEMN CC(C)C[C@@](C)(N)c1noc(C(C)C)n1 ZINC000036763674 188278616 /nfs/dbraw/zinc/27/86/16/188278616.db2.gz JOZRHZKBTYHUPT-LLVKDONJSA-N 0 1 211.309 2.413 10 0 BEAEMN CC(C)[N@@H+](CCCC(=O)[O-])C[C@H]1CCCCO1 ZINC000037596449 188286866 /nfs/dbraw/zinc/28/68/66/188286866.db2.gz HGRZNJLXTIBYOY-GFCCVEGCSA-N 0 1 243.347 2.131 10 0 BEAEMN CC1(C)NCCn2cc(-c3ccccc3)nc21 ZINC000084500719 188317192 /nfs/dbraw/zinc/31/71/92/188317192.db2.gz USJXIIKIADUGSJ-UHFFFAOYSA-N 0 1 227.311 2.388 10 0 BEAEMN CN(C)CCOc1ccc(Cl)cc1C=O ZINC000011801233 188339885 /nfs/dbraw/zinc/33/98/85/188339885.db2.gz CQELJQKPFRUIMJ-UHFFFAOYSA-N 0 1 227.691 2.093 10 0 BEAEMN CC[N@H+]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000163592957 353355892 /nfs/dbraw/zinc/35/58/92/353355892.db2.gz RQSPRQGUOZFJAP-SECBINFHSA-N 0 1 240.738 2.026 10 0 BEAEMN CCN1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000163592957 353355894 /nfs/dbraw/zinc/35/58/94/353355894.db2.gz RQSPRQGUOZFJAP-SECBINFHSA-N 0 1 240.738 2.026 10 0 BEAEMN O=C(C[C@H]1C=CCC1)N1CCN2CCCC[C@@H]2C1 ZINC000195086027 353721138 /nfs/dbraw/zinc/72/11/38/353721138.db2.gz JLDXYTUMIOQLNF-UONOGXRCSA-N 0 1 248.370 2.039 10 0 BEAEMN COC(C)(C)c1csc([C@H](C)N)n1 ZINC000301015895 363295331 /nfs/dbraw/zinc/29/53/31/363295331.db2.gz OZSYGVISRUWFPO-LURJTMIESA-N 0 1 200.307 2.044 10 0 BEAEMN CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000040502205 358492852 /nfs/dbraw/zinc/49/28/52/358492852.db2.gz TYSUAUATUFGURP-RYUDHWBXSA-N 0 1 222.332 2.415 10 0 BEAEMN N=C(N)c1cnc(C2CCCCC2)s1 ZINC000082416937 181197668 /nfs/dbraw/zinc/19/76/68/181197668.db2.gz BYHZTVZJCSSMHH-UHFFFAOYSA-N 0 1 209.318 2.475 10 0 BEAEMN CC1(C)CSC(NCc2ccco2)=N1 ZINC000035082523 355798097 /nfs/dbraw/zinc/79/80/97/355798097.db2.gz CIGIHQUCKQMDPZ-UHFFFAOYSA-N 0 1 210.302 2.251 10 0 BEAEMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccncc1 ZINC000035126590 355840015 /nfs/dbraw/zinc/84/00/15/355840015.db2.gz RZIGOAYTKRKLCV-SECBINFHSA-N 0 1 243.266 2.348 10 0 BEAEMN O=c1cc(O)cc(/C=C/c2ccc(O)cc2)o1 ZINC000006092612 355857791 /nfs/dbraw/zinc/85/77/91/355857791.db2.gz ORVQWHLMVLOZPX-ZZXKWVIFSA-N 0 1 230.219 2.221 10 0 in-vitro BEAEMN C[C@@](N)(C(=O)c1ccccc1F)C1CC1 ZINC000168567175 356422133 /nfs/dbraw/zinc/42/21/33/356422133.db2.gz GVDJDAUDLQNDHN-LBPRGKRZSA-N 0 1 207.248 2.136 10 0 BEAEMN C[C@@](N)(C(=O)c1cccc(F)c1)C1CC1 ZINC000168580129 356423901 /nfs/dbraw/zinc/42/39/01/356423901.db2.gz OZARXHNKNHFIIE-LBPRGKRZSA-N 0 1 207.248 2.136 10 0 BEAEMN C(NC1CC1)c1nc2c(s1)CSCC2 ZINC000053295255 356404508 /nfs/dbraw/zinc/40/45/08/356404508.db2.gz FVVLJNFYAYUURP-UHFFFAOYSA-N 0 1 226.370 2.184 10 0 BEAEMN C[C@H](N)C(=O)Cc1c(Cl)cccc1Cl ZINC000167953469 356486703 /nfs/dbraw/zinc/48/67/03/356486703.db2.gz BQUAVXOCNZNQKX-LURJTMIESA-N 0 1 232.110 2.452 10 0 BEAEMN C[C@H]1CN(C[C@H]2CCCC2(F)F)CCO1 ZINC000336192433 134124557 /nfs/dbraw/zinc/12/45/57/134124557.db2.gz PLDQBSRMIPNWJH-VHSXEESVSA-N 0 1 219.275 2.143 10 0 BEAEMN CC[C@H](C)NCc1c(OC)nsc1OC ZINC000675075283 538509082 /nfs/dbraw/zinc/50/90/82/538509082.db2.gz KOBFMUUUKVLXNG-ZETCQYMHSA-N 0 1 230.333 2.048 10 0 BEAEMN Fc1cccc([C@H]2C[C@@H](F)CN2)c1F ZINC000675082620 538523053 /nfs/dbraw/zinc/52/30/53/538523053.db2.gz QJGSIERRBPZAFW-HZGVNTEJSA-N 0 1 201.191 2.337 10 0 BEAEMN Cc1ccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)[nH+]c1 ZINC000085424483 538540453 /nfs/dbraw/zinc/54/04/53/538540453.db2.gz UGNKJPQQLKGCLW-VHSXEESVSA-N 0 1 220.272 2.055 10 0 BEAEMN CC[C@@H](C)c1ncc(Br)c(=O)[nH]1 ZINC000085449472 538540765 /nfs/dbraw/zinc/54/07/65/538540765.db2.gz FMPJYGLHQZBMSI-RXMQYKEDSA-N 0 1 231.093 2.046 10 0 BEAEMN Cc1ccc2nc(N3CCC[C@@H](CO)C3)[nH]c2c1 ZINC000096638722 538614575 /nfs/dbraw/zinc/61/45/75/538614575.db2.gz ZYZVSZMFPNNDCL-LLVKDONJSA-N 0 1 245.326 2.080 10 0 BEAEMN CCOc1ccc2nc(CC[C@@H](C)O)[nH]c2c1 ZINC000026462135 357136046 /nfs/dbraw/zinc/13/60/46/357136046.db2.gz JRSGGVWMLVQNHE-SECBINFHSA-N 0 1 234.299 2.275 10 0 BEAEMN C[C@@H]([N@@H+](C)Cc1nc(C(=O)[O-])co1)C(C)(C)C ZINC000387120087 357470040 /nfs/dbraw/zinc/47/00/40/357470040.db2.gz FYBFJBNROZUOOX-MRVPVSSYSA-N 0 1 240.303 2.239 10 0 BEAEMN Cc1cnc([C@@H](C)NCC[C@H]2CCCO2)o1 ZINC000230417617 357524095 /nfs/dbraw/zinc/52/40/95/357524095.db2.gz AHYZPKWOUWPELO-GHMZBOCLSA-N 0 1 224.304 2.203 10 0 BEAEMN COC(C)(C)CCN[C@@H](C)c1ncc(C)o1 ZINC000230417605 357524260 /nfs/dbraw/zinc/52/42/60/357524260.db2.gz KEEUZWMERYYHOT-JTQLQIEISA-N 0 1 226.320 2.449 10 0 BEAEMN C[N@@H+](C1CC1)C1CCC(C)(C(=O)[O-])CC1 ZINC000685946542 538885958 /nfs/dbraw/zinc/88/59/58/538885958.db2.gz CHCOGOQSUOKCII-UHFFFAOYSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1C[C@H](O)CC1CCCC1 ZINC000190596463 357712138 /nfs/dbraw/zinc/71/21/38/357712138.db2.gz LJBNTCRSOSAWHN-MBNYWOFBSA-N 0 1 241.375 2.037 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000394780109 491122581 /nfs/dbraw/zinc/12/25/81/491122581.db2.gz GAVTVIMRFWTDCF-QNWHQSFQSA-N 0 1 239.359 2.465 10 0 BEAEMN CC[C@H](C(N)=O)N1CC=C(c2ccccc2)CC1 ZINC000171074401 134257067 /nfs/dbraw/zinc/25/70/67/134257067.db2.gz HJRCANJYHRRODM-CQSZACIVSA-N 0 1 244.338 2.040 10 0 BEAEMN CC(C)(C)C(=O)N=c1[nH]scc1Cl ZINC000584648244 358302802 /nfs/dbraw/zinc/30/28/02/358302802.db2.gz FAXJQQAENJNXHT-UHFFFAOYSA-N 0 1 218.709 2.203 10 0 BEAEMN C[C@H]1CCC[N@@H+](C2CCCC2)[C@H]1C(=O)[O-] ZINC000300227888 358570368 /nfs/dbraw/zinc/57/03/68/358570368.db2.gz HLCSYCPBHPNBHN-GXSJLCMTSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1nc([C@H](C)NCC2(CCO)CC2)cs1 ZINC000133149962 358746896 /nfs/dbraw/zinc/74/68/96/358746896.db2.gz GAKRTPQBCLVGTM-VIFPVBQESA-N 0 1 240.372 2.265 10 0 BEAEMN CN[C@@H]1COc2c1c(F)ccc2Cl ZINC000306167934 358975957 /nfs/dbraw/zinc/97/59/57/358975957.db2.gz IHGNOMFPTZIFPO-SSDOTTSWSA-N 0 1 201.628 2.132 10 0 BEAEMN CNC(C)(C)[C@@H](F)C(F)(F)Br ZINC000306410992 359818469 /nfs/dbraw/zinc/81/84/69/359818469.db2.gz SSVGYULLTFBXPY-SCSAIBSYSA-N 0 1 234.059 2.310 10 0 BEAEMN COC(=O)[C@@H]1CCCCN1[C@H]1C=CCCC1 ZINC000169229564 359826372 /nfs/dbraw/zinc/82/63/72/359826372.db2.gz FNEHDLWTPJZEPG-RYUDHWBXSA-N 0 1 223.316 2.123 10 0 BEAEMN Cl/C=C(/Cl)CN[C@@H]1CCSC1 ZINC000231352018 359902103 /nfs/dbraw/zinc/90/21/03/359902103.db2.gz FYBPFWKHECXUCO-XUTFHDRNSA-N 0 1 212.145 2.401 10 0 BEAEMN N[C@@H](c1ccc(Br)o1)C1=COCC1 ZINC000306484319 360159404 /nfs/dbraw/zinc/15/94/04/360159404.db2.gz PSMXOYDQVVNYLD-SECBINFHSA-N 0 1 244.088 2.346 10 0 BEAEMN C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)NCCS2 ZINC000306485963 360162237 /nfs/dbraw/zinc/16/22/37/360162237.db2.gz OGBQLBKULWLTOK-OCCSQVGLSA-N 0 1 248.395 2.314 10 0 BEAEMN CC1=NC(=S)N([C@@H]2CSC[C@@H]2C)C1 ZINC000306584091 360483622 /nfs/dbraw/zinc/48/36/22/360483622.db2.gz PWQNURJVCGITRN-POYBYMJQSA-N 0 1 214.359 2.404 10 0 BEAEMN CC(C)(C[N@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069793994 360556362 /nfs/dbraw/zinc/55/63/62/360556362.db2.gz YZPPDOVFABTFSH-UHFFFAOYSA-N 0 1 213.321 2.219 10 0 BEAEMN C[C@@H]1CN(CC(=O)C(C)(C)C)C[C@H](C)S1 ZINC000069908911 361015053 /nfs/dbraw/zinc/01/50/53/361015053.db2.gz RXYIVVOBVSBOAW-AOOOYVTPSA-N 0 1 229.389 2.427 10 0 BEAEMN C[C@H]1CN(CC(=O)C(C)(C)C)C[C@H](C)S1 ZINC000069908912 361015146 /nfs/dbraw/zinc/01/51/46/361015146.db2.gz RXYIVVOBVSBOAW-UWVGGRQHSA-N 0 1 229.389 2.427 10 0 BEAEMN CCc1ccc(-c2c[nH]c(CN)n2)s1 ZINC000041062378 361243147 /nfs/dbraw/zinc/24/31/47/361243147.db2.gz HPIXBNPLOWPNSA-UHFFFAOYSA-N 0 1 207.302 2.159 10 0 BEAEMN CC(C)(C)[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000306626350 361292719 /nfs/dbraw/zinc/29/27/19/361292719.db2.gz HQAUEYOPDQQDOZ-VIFPVBQESA-N 0 1 213.321 2.218 10 0 BEAEMN NC1(C(=O)c2ccc(F)cc2)CCCC1 ZINC000011630604 181330559 /nfs/dbraw/zinc/33/05/59/181330559.db2.gz LAGDBBTXYSGVCR-UHFFFAOYSA-N 0 1 207.248 2.280 10 0 BEAEMN NC1(c2nc(C(F)(F)F)cs2)CCC1 ZINC000061713582 181334608 /nfs/dbraw/zinc/33/46/08/181334608.db2.gz JTBVOSNMBLJLQO-UHFFFAOYSA-N 0 1 222.235 2.500 10 0 BEAEMN N=C1N[C@@H](c2ccco2)Cc2ccsc21 ZINC000025978693 181339287 /nfs/dbraw/zinc/33/92/87/181339287.db2.gz WAOKDGZAIYAHLD-MRVPVSSYSA-N 0 1 218.281 2.344 10 0 BEAEMN CCOc1ccccc1CNCc1cn[nH]c1 ZINC000038005607 361637557 /nfs/dbraw/zinc/63/75/57/361637557.db2.gz SHXGCBKQWJDGMA-UHFFFAOYSA-N 0 1 231.299 2.098 10 0 BEAEMN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1nccs1 ZINC000083143000 491159977 /nfs/dbraw/zinc/15/99/77/491159977.db2.gz OTYYICYJAYNCFP-AEJSXWLSSA-N 0 1 226.345 2.097 10 0 BEAEMN NCC(=O)Nc1ccccc1-c1cccs1 ZINC000037032811 181354864 /nfs/dbraw/zinc/35/48/64/181354864.db2.gz CSYBKNVYJRTSQS-UHFFFAOYSA-N 0 1 232.308 2.312 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1ccncc1Cl ZINC000134543507 364405672 /nfs/dbraw/zinc/40/56/72/364405672.db2.gz YCOPIIIXXIEAAE-LDYMZIIASA-N 0 1 226.707 2.002 10 0 BEAEMN COc1c(CN(C)CCC(C)C)c(C)nn1C ZINC000180047166 541505825 /nfs/dbraw/zinc/50/58/25/541505825.db2.gz TZFRXNNIIBGCSL-UHFFFAOYSA-N 0 1 239.363 2.215 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000195008956 367332201 /nfs/dbraw/zinc/33/22/01/367332201.db2.gz SWDKACFNDKUPDY-GHMZBOCLSA-N 0 1 236.363 2.084 10 0 BEAEMN CC(C)C[N@@H+](Cc1nc(C(=O)[O-])co1)C(C)C ZINC000387147331 368065941 /nfs/dbraw/zinc/06/59/41/368065941.db2.gz JNFZEVOSXLUVMJ-UHFFFAOYSA-N 0 1 240.303 2.239 10 0 BEAEMN C[C@@H](C1CC1)[N@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252808140 368158379 /nfs/dbraw/zinc/15/83/79/368158379.db2.gz JPZMVDQGCVWJNP-JOYOIKCWSA-N 0 1 211.305 2.114 10 0 BEAEMN Fc1cccc2c1CC[C@]21NCCS1 ZINC000215056036 368144954 /nfs/dbraw/zinc/14/49/54/368144954.db2.gz ZXOQQIFXAXTIAX-LLVKDONJSA-N 0 1 209.289 2.261 10 0 BEAEMN CC(C)N1c2ccccc2NC[C@@H]1c1c[nH]nn1 ZINC000616691784 369114825 /nfs/dbraw/zinc/11/48/25/369114825.db2.gz NXBNNTKYPCDCRV-CYBMUJFWSA-N 0 1 243.314 2.186 10 0 BEAEMN CCc1cc(=O)n(Cc2cccc(F)c2)[nH]1 ZINC000107892850 369367715 /nfs/dbraw/zinc/36/77/15/369367715.db2.gz WTTCPTPGWHOPKX-UHFFFAOYSA-N 0 1 220.247 2.324 10 0 BEAEMN NCc1nc2c(s1)c(F)ccc2F ZINC000031894637 181501051 /nfs/dbraw/zinc/50/10/51/181501051.db2.gz UDKOCAYDFXWVHB-UHFFFAOYSA-N 0 1 200.213 2.033 10 0 BEAEMN c1sc(C2CC2)nc1CNC[C@@H]1CCCO1 ZINC000113312825 370400487 /nfs/dbraw/zinc/40/04/87/370400487.db2.gz RBHWDRJKTYBCBZ-NSHDSACASA-N 0 1 238.356 2.289 10 0 BEAEMN CCCC[N@@H+](CC)[C@@H](C(=O)[O-])C(C)C ZINC000011864704 168802399 /nfs/dbraw/zinc/80/23/99/168802399.db2.gz CODHOTAATMGGGT-SNVBAGLBSA-N 0 1 201.310 2.218 10 0 BEAEMN C[C@H]1SCCN(CC(=O)C(C)(C)C)[C@H]1C ZINC000132579958 371864333 /nfs/dbraw/zinc/86/43/33/371864333.db2.gz LFIWGJYQUSBQSK-VHSXEESVSA-N 0 1 229.389 2.427 10 0 BEAEMN CN[C@@H](c1ccoc1)c1scnc1C ZINC000162847962 371866601 /nfs/dbraw/zinc/86/66/01/371866601.db2.gz YJFPFKUCEXKUJF-VIFPVBQESA-N 0 1 208.286 2.353 10 0 BEAEMN CC1CCC([C@@H](N)c2cnns2)CC1 ZINC000163423058 371992852 /nfs/dbraw/zinc/99/28/52/371992852.db2.gz AZHYQVZIKFDCNT-SFVIPPHHSA-N 0 1 211.334 2.364 10 0 BEAEMN CC(C)NC(=N)c1ncccc1Br ZINC000133376091 372034469 /nfs/dbraw/zinc/03/44/69/372034469.db2.gz OSKCPEBPBOJWBA-UHFFFAOYSA-N 0 1 242.120 2.167 10 0 BEAEMN CCCCN(c1nccnc1CN)[C@@H](C)CC ZINC000054377913 168823597 /nfs/dbraw/zinc/82/35/97/168823597.db2.gz NTXROHGQHSFCFP-NSHDSACASA-N 0 1 236.363 2.340 10 0 BEAEMN COCc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000040175786 373115330 /nfs/dbraw/zinc/11/53/30/373115330.db2.gz XNQZLMIXPXFWOF-UHFFFAOYSA-N 0 1 223.663 2.272 10 0 BEAEMN Cc1ccc(Cl)c(NC(=O)CN)c1Cl ZINC000042205380 374252663 /nfs/dbraw/zinc/25/26/63/374252663.db2.gz VXCMBBAAHYLRLS-UHFFFAOYSA-N 0 1 233.098 2.199 10 0 BEAEMN CCOC(=O)c1sc([C@@H](N)CC)nc1C ZINC000083356250 170311106 /nfs/dbraw/zinc/31/11/06/170311106.db2.gz VPVXUIHOUXBPDS-ZETCQYMHSA-N 0 1 228.317 2.038 10 0 BEAEMN OCC[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000128040224 183099255 /nfs/dbraw/zinc/09/92/55/183099255.db2.gz UDBFNSBFGACULS-SNVBAGLBSA-N 0 1 241.281 2.169 10 0 BEAEMN OC[C@H](NC1CC1)c1cc(Cl)ccc1F ZINC000083264879 183138810 /nfs/dbraw/zinc/13/88/10/183138810.db2.gz MPWKNXPQIKLCFK-NSHDSACASA-N 0 1 229.682 2.265 10 0 BEAEMN OCc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC000075934918 183166042 /nfs/dbraw/zinc/16/60/42/183166042.db2.gz SPQASZMXFHNAHJ-UHFFFAOYSA-N 0 1 225.251 2.117 10 0 BEAEMN CCCN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106912338 169057202 /nfs/dbraw/zinc/05/72/02/169057202.db2.gz XIBAYNVWEZNLEJ-CQSZACIVSA-N 0 1 248.370 2.028 10 0 BEAEMN [O-]c1ccc(C[NH2+]C2CC2)cc1Br ZINC000057901587 183269056 /nfs/dbraw/zinc/26/90/56/183269056.db2.gz VNLDLLJZKXTXHQ-UHFFFAOYSA-N 0 1 242.116 2.407 10 0 BEAEMN [O-]c1ccc(C[NH2+]C2CCOCC2)cc1Cl ZINC000043477659 183270972 /nfs/dbraw/zinc/27/09/72/183270972.db2.gz BQZLHRFYRZXIJI-UHFFFAOYSA-N 0 1 241.718 2.314 10 0 BEAEMN Oc1ccc2c(c1)CCN[C@@H]2c1cccnc1 ZINC000035086930 183280168 /nfs/dbraw/zinc/28/01/68/183280168.db2.gz ZOFDCRNANURLMT-CQSZACIVSA-N 0 1 226.279 2.022 10 0 BEAEMN S=c1cc(-c2nn[nH]n2)oc2ccccc12 ZINC000003602791 183314796 /nfs/dbraw/zinc/31/47/96/183314796.db2.gz FSDKGBPLTGBNOA-UHFFFAOYSA-N 0 1 230.252 2.342 10 0 BEAEMN CCCN1CCN(CCC(=O)C(C)(C)C)CC1 ZINC000054026281 169202937 /nfs/dbraw/zinc/20/29/37/169202937.db2.gz VLZWUIFLZIFBBB-UHFFFAOYSA-N 0 1 240.391 2.019 10 0 BEAEMN CCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246575294 169210167 /nfs/dbraw/zinc/21/01/67/169210167.db2.gz FTDAVDPQUTWOAC-MFKMUULPSA-N 0 1 241.281 2.483 10 0 BEAEMN c1ccc(-c2ccnc(CNC3CC3)n2)cc1 ZINC000071396904 183381313 /nfs/dbraw/zinc/38/13/13/183381313.db2.gz XQOUGHOYLAKWKL-UHFFFAOYSA-N 0 1 225.295 2.396 10 0 BEAEMN CCCN[C@@H](C)c1csc(CN(C)C)n1 ZINC000070841856 169277099 /nfs/dbraw/zinc/27/70/99/169277099.db2.gz OZBVADCKLINRGH-VIFPVBQESA-N 0 1 227.377 2.265 10 0 BEAEMN CCCN[C@@H]1COc2cc(F)cc(F)c21 ZINC000054932003 169282920 /nfs/dbraw/zinc/28/29/20/169282920.db2.gz MCUNTSUHDDNMIT-SECBINFHSA-N 0 1 213.227 2.398 10 0 BEAEMN CCCO[C@H]1CCC[N@H+]([C@@H](CC)CC(=O)[O-])C1 ZINC000062756091 169312731 /nfs/dbraw/zinc/31/27/31/169312731.db2.gz QUBKATBHCQZWMH-RYUDHWBXSA-N 0 1 243.347 2.131 10 0 BEAEMN C[C@H](NCc1cnn(-c2ccccc2)n1)C1CC1 ZINC000035136713 383834056 /nfs/dbraw/zinc/83/40/56/383834056.db2.gz UFXSKKYCWVRASO-NSHDSACASA-N 0 1 242.326 2.155 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1c(Cl)cnn1C ZINC000131925938 383898130 /nfs/dbraw/zinc/89/81/30/383898130.db2.gz JVRGLZKJDGOSMQ-SCZZXKLOSA-N 0 1 227.739 2.352 10 0 BEAEMN NNc1ccc(-c2ccccc2Cl)nn1 ZINC000050194196 383967198 /nfs/dbraw/zinc/96/71/98/383967198.db2.gz MNMQYJIWTRXCHA-UHFFFAOYSA-N 0 1 220.663 2.083 10 0 BEAEMN O=C([O-])C[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000038027599 384058485 /nfs/dbraw/zinc/05/84/85/384058485.db2.gz HILGSDBFLVKOMW-NSHDSACASA-N 0 1 211.305 2.258 10 0 BEAEMN CCCCNc1ncnc2[nH]nc(SC)c21 ZINC000041528559 384192777 /nfs/dbraw/zinc/19/27/77/384192777.db2.gz NAKAGNZSBHZHAP-UHFFFAOYSA-N 0 1 237.332 2.287 10 0 BEAEMN CCCCNc1[nH+]cnc2[n-]nc(SC)c21 ZINC000041528559 384192779 /nfs/dbraw/zinc/19/27/79/384192779.db2.gz NAKAGNZSBHZHAP-UHFFFAOYSA-N 0 1 237.332 2.287 10 0 BEAEMN Cc1n[nH]c(=S)n1-c1ccc(F)cc1 ZINC000009280275 384240578 /nfs/dbraw/zinc/24/05/78/384240578.db2.gz BGGLDJUNRFHJMV-UHFFFAOYSA-N 0 1 209.249 2.377 10 0 BEAEMN FC(F)(F)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095076953 384353420 /nfs/dbraw/zinc/35/34/20/384353420.db2.gz AKBIYCYPMJGIDW-LLVKDONJSA-N 0 1 244.260 2.370 10 0 BEAEMN O=C1NCCN(C2CCCC2)[C@H]1c1ccccc1 ZINC000120133999 384331688 /nfs/dbraw/zinc/33/16/88/384331688.db2.gz PYAFIASIUOIBHB-AWEZNQCLSA-N 0 1 244.338 2.102 10 0 BEAEMN Cc1nc2c(n1C[C@@H](O)C(C)(C)C)CCCC2 ZINC000216922536 384529910 /nfs/dbraw/zinc/52/99/10/384529910.db2.gz RORBJGQDMXTCFB-CYBMUJFWSA-N 0 1 236.359 2.477 10 0 BEAEMN C[N@H+]1C=C[C@@H](C(=O)[O-])C=C1Cc1ccccc1 ZINC000100168042 384621791 /nfs/dbraw/zinc/62/17/91/384621791.db2.gz GNGLPEVQDXXSTN-GFCCVEGCSA-N 0 1 229.279 2.273 10 0 BEAEMN C[NH2+][C@H](C)c1ccc([O-])c(Br)c1 ZINC000061699360 384669696 /nfs/dbraw/zinc/66/96/96/384669696.db2.gz UKUJPKNPPSVNSG-ZCFIWIBFSA-N 0 1 230.105 2.435 10 0 BEAEMN CSC1C(=O)Nc2ncc(Cl)cc21 ZINC000100461247 384641277 /nfs/dbraw/zinc/64/12/77/384641277.db2.gz JGRGYAIREVLEAJ-LURJTMIESA-N 0 1 214.677 2.091 10 0 BEAEMN Cc1cnc([C@H](C)N[C@@H]2CCO[C@H](C)C2)o1 ZINC000300395777 384751286 /nfs/dbraw/zinc/75/12/86/384751286.db2.gz IPTWHNYSROLRHJ-DVVUODLYSA-N 0 1 224.304 2.201 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000309973872 384756576 /nfs/dbraw/zinc/75/65/76/384756576.db2.gz RFJKBIGIQIBISR-KCJUWKMLSA-N 0 1 238.356 2.288 10 0 BEAEMN O=Cc1ccc2n[nH]c(C(F)(F)F)c2c1 ZINC000083298467 384757381 /nfs/dbraw/zinc/75/73/81/384757381.db2.gz WCTDBYJZHXTIOB-UHFFFAOYSA-N 0 1 214.146 2.394 10 0 BEAEMN CN(Cc1nc(-c2ccoc2)no1)CC1CC1 ZINC000105608208 384788902 /nfs/dbraw/zinc/78/89/02/384788902.db2.gz GFNGLCPJAIKWNM-UHFFFAOYSA-N 0 1 233.271 2.171 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1CC[C@H](C(F)F)C1 ZINC000586768396 384915737 /nfs/dbraw/zinc/91/57/37/384915737.db2.gz DMXYYGOFEUDFQD-UWVGGRQHSA-N 0 1 249.301 2.161 10 0 BEAEMN CCc1ccc(CN(C)C[C@@H]2CCCO2)o1 ZINC000128042266 384983792 /nfs/dbraw/zinc/98/37/92/384983792.db2.gz DKPFJKRTQCPFBL-LBPRGKRZSA-N 0 1 223.316 2.453 10 0 BEAEMN Cn1cc([C@H]2CCCN2Cc2ccncc2)cn1 ZINC000130366922 385245045 /nfs/dbraw/zinc/24/50/45/385245045.db2.gz AVRAUGNMFTYALV-CQSZACIVSA-N 0 1 242.326 2.152 10 0 BEAEMN Cc1cnc([C@H](C)NCC[C@H]2CCOC2)o1 ZINC000309504496 385641594 /nfs/dbraw/zinc/64/15/94/385641594.db2.gz VOBLDXDPGWCTPR-QWRGUYRKSA-N 0 1 224.304 2.060 10 0 BEAEMN C/C=C/CNc1c(N)cncc1Br ZINC000306946095 385660763 /nfs/dbraw/zinc/66/07/63/385660763.db2.gz KXSANGAZPHEQQN-NSCUHMNNSA-N 0 1 242.120 2.414 10 0 BEAEMN Cl/C=C/CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182678487 385694932 /nfs/dbraw/zinc/69/49/32/385694932.db2.gz RXIBERVHBYFFGU-SGRBOOSSSA-N 0 1 226.711 2.084 10 0 BEAEMN Cc1cc(C)c2ncc3c(=O)[nH][nH]c3c2c1 ZINC000040174233 385777478 /nfs/dbraw/zinc/77/74/78/385777478.db2.gz DBIWYGKMICIHNY-UHFFFAOYSA-N 0 1 213.240 2.434 10 0 BEAEMN CCOC(=O)c1c(F)cc(O)cc1Cl ZINC000261153703 386009287 /nfs/dbraw/zinc/00/92/87/386009287.db2.gz TVBAPJAWGLQWKD-UHFFFAOYSA-N 0 1 218.611 2.361 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1csc(C2CC2)n1 ZINC000291759613 386039381 /nfs/dbraw/zinc/03/93/81/386039381.db2.gz RFJKBIGIQIBISR-LDYMZIIASA-N 0 1 238.356 2.288 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1cc(F)c(F)cc1F ZINC000131932514 386226219 /nfs/dbraw/zinc/22/62/19/386226219.db2.gz LNRGBKXCHKUDJD-JVXZTZIISA-N 0 1 245.244 2.371 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1cc(F)c(F)cc1F ZINC000131932898 386227671 /nfs/dbraw/zinc/22/76/71/386227671.db2.gz LNRGBKXCHKUDJD-MADCSZMMSA-N 0 1 245.244 2.371 10 0 BEAEMN C[C@H](O)CCN1CCCC[C@@H]1c1nccs1 ZINC000336683156 386345108 /nfs/dbraw/zinc/34/51/08/386345108.db2.gz SOVKHDUHGBVGOS-WDEREUQCSA-N 0 1 240.372 2.441 10 0 BEAEMN C[C@@H]1CC[C@](N)(C(=O)OC(C)(C)C)C[C@H]1C ZINC000521401224 386451772 /nfs/dbraw/zinc/45/17/72/386451772.db2.gz ZSZACOUMQUPYON-GIPNMCIBSA-N 0 1 227.348 2.482 10 0 BEAEMN Cc1nccc(N[C@H](C)[C@@H]2CCCO2)c1Cl ZINC000336646551 386635121 /nfs/dbraw/zinc/63/51/21/386635121.db2.gz DWINAFHUTXXGJV-KCJUWKMLSA-N 0 1 240.734 2.445 10 0 BEAEMN C[C@H](O)CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248653118 386786898 /nfs/dbraw/zinc/78/68/98/386786898.db2.gz OKIKAASARHUOTK-JSGCOSHPSA-N 0 1 249.354 2.219 10 0 BEAEMN OCc1cnc(-c2cc(Cl)ccc2F)[nH]1 ZINC000575419776 387031357 /nfs/dbraw/zinc/03/13/57/387031357.db2.gz PQJDEPCEPXVBQR-UHFFFAOYSA-N 0 1 226.638 2.362 10 0 BEAEMN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C)n2)o1 ZINC000392423363 387079692 /nfs/dbraw/zinc/07/96/92/387079692.db2.gz SMTYFGXPQGALAR-IUCAKERBSA-N 0 1 234.303 2.426 10 0 BEAEMN Cc1cc(CC(=O)N[C@@H](C)c2ccc(C)o2)[nH]n1 ZINC000120040999 387176378 /nfs/dbraw/zinc/17/63/78/387176378.db2.gz PBTXVKWZULQAJS-JTQLQIEISA-N 0 1 247.298 2.039 10 0 BEAEMN C1CC([N@H+]2CCSC3(CCOCC3)C2)C1 ZINC000187728043 387230828 /nfs/dbraw/zinc/23/08/28/387230828.db2.gz ZDGLNQPORDZXJX-UHFFFAOYSA-N 0 1 227.373 2.137 10 0 BEAEMN CSCCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121679506 387391898 /nfs/dbraw/zinc/39/18/98/387391898.db2.gz NVAWYXSFYVVNTB-SNVBAGLBSA-N 0 1 240.376 2.085 10 0 BEAEMN O=Cc1cc(F)cc(O)c1C(F)(F)F ZINC000575702396 387407342 /nfs/dbraw/zinc/40/73/42/387407342.db2.gz DIFIXYZZLDXLPJ-UHFFFAOYSA-N 0 1 208.110 2.363 10 0 BEAEMN Cc1nc(CN2CCCC[C@H](CO)C2)cs1 ZINC000374051149 387414972 /nfs/dbraw/zinc/41/49/72/387414972.db2.gz PVMIVIHHWFTDPO-NSHDSACASA-N 0 1 240.372 2.046 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1CCN(C)c1ccccc1 ZINC000085822376 387504371 /nfs/dbraw/zinc/50/43/71/387504371.db2.gz MUDNRFIAIBATPH-ZIAGYGMSSA-N 0 1 248.370 2.232 10 0 BEAEMN c1coc([C@@H]2CCC[N@@H+]2CCC2OCCO2)c1 ZINC000124331011 387613806 /nfs/dbraw/zinc/61/38/06/387613806.db2.gz GIOQSBYSMHPUPI-NSHDSACASA-N 0 1 237.299 2.180 10 0 BEAEMN CC(C)(c1o[nH]c(=N)c1Cl)C(F)F ZINC000575570567 387737956 /nfs/dbraw/zinc/73/79/56/387737956.db2.gz VFIMWGFIVYJWQO-UHFFFAOYSA-N 0 1 210.611 2.283 10 0 BEAEMN CC(=O)c1ccc(C#N)c(C(F)F)c1O ZINC000575644210 387869521 /nfs/dbraw/zinc/86/95/21/387869521.db2.gz WXYWNSWHXMVXGB-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN CCC[C@H](C)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195450852 387915738 /nfs/dbraw/zinc/91/57/38/387915738.db2.gz YFUVQONUIWLISS-QWHCGFSZSA-N 0 1 238.375 2.119 10 0 BEAEMN CCCN(CCC)Cc1nnc(C2CC2)n1C ZINC000195063153 388086636 /nfs/dbraw/zinc/08/66/36/388086636.db2.gz OMXHLWRGEQEZED-UHFFFAOYSA-N 0 1 236.363 2.315 10 0 BEAEMN CC(C)CONc1ccnc(Cl)n1 ZINC000306423016 388096210 /nfs/dbraw/zinc/09/62/10/388096210.db2.gz HXTMBWNNIXOPDK-UHFFFAOYSA-N 0 1 201.657 2.130 10 0 BEAEMN Cc1nc(CN2CCC[C@H](O)[C@H]2C)sc1C ZINC000296451164 388424202 /nfs/dbraw/zinc/42/42/02/388424202.db2.gz WZQDCHRLHHOICJ-KOLCDFICSA-N 0 1 240.372 2.105 10 0 BEAEMN COCCN[C@@H](C)c1c(F)cccc1OC ZINC000125228064 388669582 /nfs/dbraw/zinc/66/95/82/388669582.db2.gz VWYDFKJUKQWHSX-VIFPVBQESA-N 0 1 227.279 2.131 10 0 BEAEMN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1O ZINC000123980963 388659248 /nfs/dbraw/zinc/65/92/48/388659248.db2.gz DHGSUCUQUGDXSC-LDYMZIIASA-N 0 1 237.274 2.450 10 0 BEAEMN C[C@@H](C[N@H+]1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000248997209 388703055 /nfs/dbraw/zinc/70/30/55/388703055.db2.gz GYEPVWRKOLATKG-QWHCGFSZSA-N 0 1 246.354 2.001 10 0 BEAEMN CCOc1ccnc(N2CCCCC2)c1 ZINC000019801130 132250175 /nfs/dbraw/zinc/25/01/75/132250175.db2.gz LOJDHQBSFKCWGX-UHFFFAOYSA-N 0 1 206.289 2.471 10 0 BEAEMN Cc1ccc(N)c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000036250639 132341196 /nfs/dbraw/zinc/34/11/96/132341196.db2.gz ZLCNRMXDXUDTCA-AOOOYVTPSA-N 0 1 219.332 2.455 10 0 BEAEMN Cc1nc(N2C[C@@H](C)C[C@H](C)C2)ccc1N ZINC000036250935 132341612 /nfs/dbraw/zinc/34/16/12/132341612.db2.gz KKUKOVFGWFRHJK-UWVGGRQHSA-N 0 1 219.332 2.455 10 0 BEAEMN CCc1cc(NC)nc(N2CCCCC2)n1 ZINC000050851007 132359561 /nfs/dbraw/zinc/35/95/61/132359561.db2.gz LUWIVVVSGKXJQU-UHFFFAOYSA-N 0 1 220.320 2.071 10 0 BEAEMN C[C@H]1CN(CCN(C)c2ccccc2)C[C@H](C)O1 ZINC000177225841 134296376 /nfs/dbraw/zinc/29/63/76/134296376.db2.gz XXWRXOFOYDZYFH-KBPBESRZSA-N 0 1 248.370 2.232 10 0 BEAEMN c1cc(CN[C@@H]2CCc3ccccc32)on1 ZINC000220155340 134301227 /nfs/dbraw/zinc/30/12/27/134301227.db2.gz JRLGVQPFKORIQG-CYBMUJFWSA-N 0 1 214.268 2.452 10 0 BEAEMN Cc1cnc([C@H](C)NCCc2ccccn2)o1 ZINC000220882231 134316400 /nfs/dbraw/zinc/31/64/00/134316400.db2.gz UCWQLEZTQKMVLC-NSHDSACASA-N 0 1 231.299 2.271 10 0 BEAEMN c1cc(C[N@@H+]2CCCN(C3CC3)CC2)cs1 ZINC000179733271 134320627 /nfs/dbraw/zinc/32/06/27/134320627.db2.gz KQECBQZIOYQNBR-UHFFFAOYSA-N 0 1 236.384 2.418 10 0 BEAEMN CC[C@H]1[C@H](C)CCN1Cc1nnc(C)n1CC ZINC000185596221 134382406 /nfs/dbraw/zinc/38/24/06/134382406.db2.gz ADJGEMJDIICIKG-PWSUYJOCSA-N 0 1 236.363 2.227 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1C[C@@H](O)CC1CCCC1 ZINC000249073807 135032173 /nfs/dbraw/zinc/03/21/73/135032173.db2.gz LJBNTCRSOSAWHN-BZPMIXESSA-N 0 1 241.375 2.037 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1CC1CC(F)(F)C1 ZINC000334792138 135814261 /nfs/dbraw/zinc/81/42/61/135814261.db2.gz QJSFWKJCRXRTHO-DTORHVGOSA-N 0 1 219.275 2.141 10 0 BEAEMN Cn1c(S[C@@H]2CCC(C)(C)C2)n[nH]c1=O ZINC000335295212 136005782 /nfs/dbraw/zinc/00/57/82/136005782.db2.gz FUEPLNPRPAHGKC-SSDOTTSWSA-N 0 1 227.333 2.192 10 0 BEAEMN Cn1c(S[C@H]2CCC(C)(C)C2)n[nH]c1=O ZINC000335295214 136005799 /nfs/dbraw/zinc/00/57/99/136005799.db2.gz FUEPLNPRPAHGKC-ZETCQYMHSA-N 0 1 227.333 2.192 10 0 BEAEMN Cc1cnc([C@@H](C)NCCN2CCCCC2)o1 ZINC000348360269 136072903 /nfs/dbraw/zinc/07/29/03/136072903.db2.gz PRIYQHRMPXMUQB-GFCCVEGCSA-N 0 1 237.347 2.120 10 0 BEAEMN CC[N@H+]1CCO[C@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616687314 397929693 /nfs/dbraw/zinc/92/96/93/397929693.db2.gz UHHXDRHTQCQSEG-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN C[C@@H](CO)CN1CCCC[C@@H]1c1nccs1 ZINC000120765111 490068421 /nfs/dbraw/zinc/06/84/21/490068421.db2.gz HDAOWXBDVBECQY-GHMZBOCLSA-N 0 1 240.372 2.299 10 0 BEAEMN CCc1nnc(CNC2(C3CCC3)CCC2)o1 ZINC000556783784 322923861 /nfs/dbraw/zinc/92/38/61/322923861.db2.gz CKHPPEWOTCMNHG-UHFFFAOYSA-N 0 1 235.331 2.444 10 0 BEAEMN Brc1ccc([C@@H]2NCCO2)cc1 ZINC000034469647 166099865 /nfs/dbraw/zinc/09/98/65/166099865.db2.gz ZZBVKILSICMDOH-SECBINFHSA-N 0 1 228.089 2.068 10 0 BEAEMN CC(C)C[N@H+]1CC[C@H](CC(=O)[O-])[C@@H](C)C1 ZINC000073654383 166976352 /nfs/dbraw/zinc/97/63/52/166976352.db2.gz YMFBJRADPJLNIL-WDEREUQCSA-N 0 1 213.321 2.075 10 0 BEAEMN CC(C)NCc1nnc(-c2ccc(F)cc2)o1 ZINC000030824915 167122880 /nfs/dbraw/zinc/12/28/80/167122880.db2.gz YLKJZTGGAMUQLR-UHFFFAOYSA-N 0 1 235.262 2.374 10 0 BEAEMN CC(C)N[C@@](C)(CO)c1c(F)cccc1F ZINC000038115543 167137374 /nfs/dbraw/zinc/13/73/74/167137374.db2.gz PWAVBQYFACTEQI-LBPRGKRZSA-N 0 1 229.270 2.170 10 0 BEAEMN CC(C)OCCCn1c(CN)nc2ccccc21 ZINC000098128317 167229896 /nfs/dbraw/zinc/22/98/96/167229896.db2.gz WQALJLDODQSYDT-UHFFFAOYSA-N 0 1 247.342 2.310 10 0 BEAEMN CC(C)[C@@H](C)N(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881643 167366149 /nfs/dbraw/zinc/36/61/49/167366149.db2.gz BISUSXXFRYKQFW-DOMZBBRYSA-N 0 1 248.370 2.363 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000217716472 411154994 /nfs/dbraw/zinc/15/49/94/411154994.db2.gz SBNDXVUDCFWPBM-PGJNLMOESA-N 0 1 233.311 2.495 10 0 BEAEMN CCC[C@@H](C)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000051322564 411271842 /nfs/dbraw/zinc/27/18/42/411271842.db2.gz TUCGCGDEPZZLML-SNVBAGLBSA-N 0 1 213.321 2.219 10 0 BEAEMN CN1CCc2ccccc2[C@@H]1c1ccnnc1 ZINC000616586807 411293283 /nfs/dbraw/zinc/29/32/83/411293283.db2.gz IIZVNMHIXVINMQ-AWEZNQCLSA-N 0 1 225.295 2.054 10 0 BEAEMN C[C@](N)(c1ccsn1)c1cccs1 ZINC000575453876 411308121 /nfs/dbraw/zinc/30/81/21/411308121.db2.gz AOUWXFNXFQSSNE-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN CC[N@H+](Cc1ccccn1)C[C@@H]1CCC[C@H](O)C1 ZINC000311056566 411309872 /nfs/dbraw/zinc/30/98/72/411309872.db2.gz YHJSSQKQJUMZFZ-HIFRSBDPSA-N 0 1 248.370 2.455 10 0 BEAEMN CC1CCC(N)(C(=O)OC2CCCC2)CC1 ZINC000048632273 168159318 /nfs/dbraw/zinc/15/93/18/168159318.db2.gz BNFPLYXTTHOTPQ-UHFFFAOYSA-N 0 1 225.332 2.380 10 0 BEAEMN CCC(=O)CCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000190296933 168203160 /nfs/dbraw/zinc/20/31/60/168203160.db2.gz VMTCUFSITVCIKL-CYBMUJFWSA-N 0 1 235.331 2.306 10 0 BEAEMN COCc1nc(CNC2(C)CC=CC2)cs1 ZINC000655814029 411523471 /nfs/dbraw/zinc/52/34/71/411523471.db2.gz GURVDGSAJAJLBE-UHFFFAOYSA-N 0 1 238.356 2.488 10 0 BEAEMN CCN1CCc2[nH]c3ccc(N)cc3c2C1 ZINC000085348041 170023909 /nfs/dbraw/zinc/02/39/09/170023909.db2.gz JHZNWRXCXUUAJU-UHFFFAOYSA-N 0 1 215.300 2.128 10 0 BEAEMN CCNC(C)(C)c1nc(-c2ccc(O)cc2)no1 ZINC000061151332 170107544 /nfs/dbraw/zinc/10/75/44/170107544.db2.gz JZCKASODBXSUOL-UHFFFAOYSA-N 0 1 247.298 2.287 10 0 BEAEMN CCNCc1cc(COc2ccc(C)nc2)on1 ZINC000052596131 170125052 /nfs/dbraw/zinc/12/50/52/170125052.db2.gz QQMUAGPETIFJJK-UHFFFAOYSA-N 0 1 247.298 2.067 10 0 BEAEMN CCNCc1csc(CN(CC)CC)n1 ZINC000045206610 170130400 /nfs/dbraw/zinc/13/04/00/170130400.db2.gz VSKJHKUSCHGSGW-UHFFFAOYSA-N 0 1 227.377 2.094 10 0 BEAEMN CCN[C@@H](CC)c1nnc([C@H]2CCCCO2)o1 ZINC000061512438 170143833 /nfs/dbraw/zinc/14/38/33/170143833.db2.gz DHFSBQHVOQJIEC-VHSXEESVSA-N 0 1 239.319 2.372 10 0 BEAEMN CCN[C@@H](c1ccccc1)c1cnccn1 ZINC000037469132 170148136 /nfs/dbraw/zinc/14/81/36/170148136.db2.gz KXONZVPBPAWKSA-ZDUSSCGKSA-N 0 1 213.284 2.176 10 0 BEAEMN CCN[C@@H]1c2c(cc(F)cc2F)O[C@@H]1C ZINC000054932066 170155106 /nfs/dbraw/zinc/15/51/06/170155106.db2.gz LVHJZZCWWDHWDR-KBUNVGBDSA-N 0 1 213.227 2.396 10 0 BEAEMN CCNc1nc(N(C)C)nc(C)c1C(C)C ZINC000061687468 170176807 /nfs/dbraw/zinc/17/68/07/170176807.db2.gz HWPLXWMHWTWNMC-UHFFFAOYSA-N 0 1 222.336 2.406 10 0 BEAEMN CCOC(=O)[C@H]1CCCN(Cc2ccoc2)C1 ZINC000000240225 170279808 /nfs/dbraw/zinc/27/98/08/170279808.db2.gz LQHSJPSHZLJNSZ-LBPRGKRZSA-N 0 1 237.299 2.055 10 0 BEAEMN CCOCCN(CC)Cc1c(N)cccc1F ZINC000104202890 170394856 /nfs/dbraw/zinc/39/48/56/170394856.db2.gz KXIYQNXGVIUNNY-UHFFFAOYSA-N 0 1 240.322 2.266 10 0 BEAEMN CCC(C)(C)[C@H](C)NCc1nnnn1C(C)C ZINC000661233067 411737159 /nfs/dbraw/zinc/73/71/59/411737159.db2.gz UQUXRFDBJMJTBY-JTQLQIEISA-N 0 1 239.367 2.168 10 0 BEAEMN CCCc1nccnc1NCCN1CC=CCC1 ZINC000663861318 411763975 /nfs/dbraw/zinc/76/39/75/411763975.db2.gz GUVOBYWHEXJCTI-UHFFFAOYSA-N 0 1 246.358 2.103 10 0 BEAEMN CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662211468 412026393 /nfs/dbraw/zinc/02/63/93/412026393.db2.gz OYTXTPZYVJKKLK-OPRDCNLKSA-N 0 1 249.301 2.320 10 0 BEAEMN CC[C@@H]1CO[C@H](c2c(F)cccc2F)CN1 ZINC000036672884 171114739 /nfs/dbraw/zinc/11/47/39/171114739.db2.gz RWSHEMRANSDBOK-KCJUWKMLSA-N 0 1 227.254 2.404 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccncc2)C1 ZINC000062877540 171197120 /nfs/dbraw/zinc/19/71/20/171197120.db2.gz IKWRKVOLDYCITC-CQSZACIVSA-N 0 1 248.326 2.158 10 0 BEAEMN CC[C@](C)(O)CN[C@@H](COC)c1ccc(C)o1 ZINC000119086131 171703777 /nfs/dbraw/zinc/70/37/77/171703777.db2.gz WNXJHBMDYBWXFB-AAEUAGOBSA-N 0 1 241.331 2.026 10 0 BEAEMN CCc1nc(-c2cccc(F)c2)c(N)n1C ZINC000104912185 171939548 /nfs/dbraw/zinc/93/95/48/171939548.db2.gz FDJKCXGBGFQIOL-UHFFFAOYSA-N 0 1 219.263 2.371 10 0 BEAEMN CCc1nc([C@](C)(N)CCc2ccccc2)no1 ZINC000036763064 172008796 /nfs/dbraw/zinc/00/87/96/172008796.db2.gz UGEGJOKZHXHFFU-CQSZACIVSA-N 0 1 245.326 2.439 10 0 BEAEMN CCc1[nH+]ccn1C[C@H](C(=O)[O-])c1ccccc1 ZINC000062758372 172024928 /nfs/dbraw/zinc/02/49/28/172024928.db2.gz LAVIHZFIIALBLJ-LBPRGKRZSA-N 0 1 244.294 2.314 10 0 BEAEMN CCc1noc(-c2ccc3[nH]cnc3c2)n1 ZINC000045895024 172072592 /nfs/dbraw/zinc/07/25/92/172072592.db2.gz HVSYNXWCPSGSSC-UHFFFAOYSA-N 0 1 214.228 2.175 10 0 BEAEMN CCn1ccnc1NCc1cccc(C)n1 ZINC000051576867 172227788 /nfs/dbraw/zinc/22/77/88/172227788.db2.gz GVDVIDFNTDDCOY-UHFFFAOYSA-N 0 1 216.288 2.219 10 0 BEAEMN CCn1ccnc1[C@@H](N)c1ccc(F)cc1 ZINC000011735177 172228811 /nfs/dbraw/zinc/22/88/11/172228811.db2.gz UMVLGGRUPVUUOR-NSHDSACASA-N 0 1 219.263 2.090 10 0 BEAEMN C[N@@H+](Cc1ccoc1)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062755040 172903219 /nfs/dbraw/zinc/90/32/19/172903219.db2.gz BJRWNERMRMTYAM-RYUDHWBXSA-N 0 1 237.299 2.355 10 0 BEAEMN CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000070794242 173002091 /nfs/dbraw/zinc/00/20/91/173002091.db2.gz KWKKMAWHMMLZRR-UHFFFAOYSA-N 0 1 231.299 2.009 10 0 BEAEMN CN1CCCC[C@H]1c1[nH]nc2c1CCCCN2 ZINC000003698246 173010483 /nfs/dbraw/zinc/01/04/83/173010483.db2.gz DZOXZMRPHKDGBV-NSHDSACASA-N 0 1 234.347 2.315 10 0 BEAEMN CN1CCN([C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000090505075 173093226 /nfs/dbraw/zinc/09/32/26/173093226.db2.gz VJDPDWMXGFSDAW-OAHLLOKOSA-N 0 1 246.354 2.017 10 0 BEAEMN CN1CCc2c(O)ccc(Cl)c2CC1 ZINC000039613347 173168354 /nfs/dbraw/zinc/16/83/54/173168354.db2.gz ASRNLKLRIWATDD-UHFFFAOYSA-N 0 1 211.692 2.076 10 0 BEAEMN CN1CCc2nc(NC(C)(C)C)sc2C1 ZINC000061714624 173175009 /nfs/dbraw/zinc/17/50/09/173175009.db2.gz ZAXSZIQIGWWUET-UHFFFAOYSA-N 0 1 225.361 2.341 10 0 BEAEMN CNCC(=O)c1ccc(Br)cc1C ZINC000082550312 173336305 /nfs/dbraw/zinc/33/63/05/173336305.db2.gz JEEJJYAVLDSBGH-UHFFFAOYSA-N 0 1 242.116 2.160 10 0 BEAEMN CNCc1csc(N2CCCC[C@@H]2C)n1 ZINC000062214901 173392924 /nfs/dbraw/zinc/39/29/24/173392924.db2.gz XWSFFTAZOSAHKL-VIFPVBQESA-N 0 1 225.361 2.241 10 0 BEAEMN CNCc1csc(Cc2ccccc2OC)n1 ZINC000040999601 173393182 /nfs/dbraw/zinc/39/31/82/173393182.db2.gz LOYXACOOJXCBNQ-UHFFFAOYSA-N 0 1 248.351 2.462 10 0 BEAEMN CNCc1nc2ccc(Br)cc2o1 ZINC000062533323 173396065 /nfs/dbraw/zinc/39/60/65/173396065.db2.gz PTIYZTOMYMTPFQ-UHFFFAOYSA-N 0 1 241.088 2.310 10 0 BEAEMN CNCc1nccn1Cc1ccc(C)c(C)c1 ZINC000051004364 173398156 /nfs/dbraw/zinc/39/81/56/173398156.db2.gz NJQJJFRTSBUWFE-UHFFFAOYSA-N 0 1 229.327 2.268 10 0 BEAEMN CN[C@@H]1c2ccc(SC(C)C)cc2NC1=O ZINC000037685963 173460108 /nfs/dbraw/zinc/46/01/08/173460108.db2.gz IEQMMSVKAFGXTI-LLVKDONJSA-N 0 1 236.340 2.400 10 0 BEAEMN COCC(C)(C)CN[C@H](C)c1ncc(C)o1 ZINC000336767604 174076419 /nfs/dbraw/zinc/07/64/19/174076419.db2.gz PTOOLWJIINHTCV-SNVBAGLBSA-N 0 1 226.320 2.306 10 0 BEAEMN COCCNCc1nc(C)c(C(C)(C)C)s1 ZINC000045205546 174336597 /nfs/dbraw/zinc/33/65/97/174336597.db2.gz MBUWIDDBNXVWDB-UHFFFAOYSA-N 0 1 242.388 2.485 10 0 BEAEMN COCCNCc1nc(C(C)(C)C)cs1 ZINC000045205810 174337034 /nfs/dbraw/zinc/33/70/34/174337034.db2.gz IKUAVHRKLISPQG-UHFFFAOYSA-N 0 1 228.361 2.177 10 0 BEAEMN COC[C@H](N[C@@H]1CCCSC1)c1ccco1 ZINC000128311503 174584768 /nfs/dbraw/zinc/58/47/68/174584768.db2.gz MRPJSNBFHLOKFU-MNOVXSKESA-N 0 1 241.356 2.452 10 0 BEAEMN COc1ccc(C(=O)c2ccc(CN)o2)cc1F ZINC000041302738 175066426 /nfs/dbraw/zinc/06/64/26/175066426.db2.gz GCHAIYUPSNNOJP-UHFFFAOYSA-N 0 1 249.241 2.117 10 0 BEAEMN COc1ccc(C)cc1C(=O)[C@H]1CCCCN1 ZINC000058327593 175073851 /nfs/dbraw/zinc/07/38/51/175073851.db2.gz YDWZUCVRYWDOCK-GFCCVEGCSA-N 0 1 233.311 2.328 10 0 BEAEMN COc1ccc(C)cc1C(=O)[C@H](N)C(C)C ZINC000032013953 175074065 /nfs/dbraw/zinc/07/40/65/175074065.db2.gz HYZPPIYMCWIIDJ-GFCCVEGCSA-N 0 1 221.300 2.170 10 0 BEAEMN COc1ccc(C)cc1[C@@H](N)c1ccccn1 ZINC000011832351 175080635 /nfs/dbraw/zinc/08/06/35/175080635.db2.gz ZQXDDOPEHZLYRT-CQSZACIVSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1ccc(CNCc2ccnc(C)n2)cc1 ZINC000037997698 175108739 /nfs/dbraw/zinc/10/87/39/175108739.db2.gz IRWSZLMOJABHFI-UHFFFAOYSA-N 0 1 243.310 2.083 10 0 BEAEMN COc1ccc(Cl)cc1-c1cn[nH]n1 ZINC000216637736 175119622 /nfs/dbraw/zinc/11/96/22/175119622.db2.gz FMMGPFVADFGYEK-UHFFFAOYSA-N 0 1 209.636 2.134 10 0 BEAEMN COc1ccc(N)cc1-c1nnc(C(C)C)[nH]1 ZINC000072237612 175137911 /nfs/dbraw/zinc/13/79/11/175137911.db2.gz RPNBDIVOAWEDIU-UHFFFAOYSA-N 0 1 232.287 2.186 10 0 BEAEMN COc1ccc2c(c1)CCC[C@@H]2NC1COC1 ZINC000094710195 175207895 /nfs/dbraw/zinc/20/78/95/175207895.db2.gz SUOGWLIHCZJFFS-AWEZNQCLSA-N 0 1 233.311 2.061 10 0 BEAEMN COc1ccc2cc[nH+]c(N[C@@H](C)C(=O)[O-])c2c1 ZINC000082766028 175226663 /nfs/dbraw/zinc/22/66/63/175226663.db2.gz DEHZHRRWIFUQHU-QMMMGPOBSA-N 0 1 246.266 2.128 10 0 BEAEMN COc1ccccc1-c1c[nH]c(CNC2CC2)n1 ZINC000037609084 175308352 /nfs/dbraw/zinc/30/83/52/175308352.db2.gz JHCWUCNHOABEFL-UHFFFAOYSA-N 0 1 243.310 2.337 10 0 BEAEMN COc1ccccc1C(=O)[C@@H]1CCCCN1 ZINC000071521297 175318702 /nfs/dbraw/zinc/31/87/02/175318702.db2.gz DEFAGFSZPSHPKP-NSHDSACASA-N 0 1 219.284 2.020 10 0 BEAEMN COc1ccccc1C(=O)[C@H](N)CC(C)C ZINC000032013957 175320118 /nfs/dbraw/zinc/32/01/18/175320118.db2.gz NPTMXMQOLPWMBF-LLVKDONJSA-N 0 1 221.300 2.251 10 0 BEAEMN C[C@@H](N)c1noc(-c2cc(F)cc(F)c2)n1 ZINC000041052200 175822526 /nfs/dbraw/zinc/82/25/26/175822526.db2.gz DYFWZLLKIUTDKP-RXMQYKEDSA-N 0 1 225.198 2.035 10 0 BEAEMN C[C@@H]1CCCN1CC(=O)Cc1ccc(F)cc1 ZINC000037911584 176107992 /nfs/dbraw/zinc/10/79/92/176107992.db2.gz RQZLJRHSSWORCA-LLVKDONJSA-N 0 1 235.302 2.422 10 0 BEAEMN C[C@@H]1CCC[C@@H](OC(=O)C2(N)CCCC2)C1 ZINC000040953543 176125237 /nfs/dbraw/zinc/12/52/37/176125237.db2.gz ZMPHZNDTQSDKGI-GHMZBOCLSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CCC[C@H](OC(=O)C2(N)CCCC2)C1 ZINC000040953539 176146287 /nfs/dbraw/zinc/14/62/87/176146287.db2.gz ZMPHZNDTQSDKGI-MNOVXSKESA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CN(CC[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000041164900 176294933 /nfs/dbraw/zinc/29/49/33/176294933.db2.gz CMJMYWPNEBLCGB-NFAWXSAZSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@@H](NC1=NC[C@@H](C)S1)c1ccccn1 ZINC000035695366 176324533 /nfs/dbraw/zinc/32/45/33/176324533.db2.gz XHCFEZHHLYGEEV-RKDXNWHRSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@@H]1C[C@@H](OC(=O)C(C)(C)N)CC(C)(C)C1 ZINC000040951794 176382417 /nfs/dbraw/zinc/38/24/17/176382417.db2.gz FWUUHWLEPDUNRY-NXEZZACHSA-N 0 1 227.348 2.482 10 0 BEAEMN C[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1 ZINC000096100628 176408966 /nfs/dbraw/zinc/40/89/66/176408966.db2.gz NVBQFSKORISUED-MBNYWOFBSA-N 0 1 232.327 2.081 10 0 BEAEMN C[C@H]([NH3+])c1ccc([O-])c(Br)c1 ZINC000061699365 176776737 /nfs/dbraw/zinc/77/67/37/176776737.db2.gz JSYOICGOTJHSPH-YFKPBYRVSA-N 0 1 216.078 2.174 10 0 BEAEMN C[C@H](OC(=O)[C@@H]1CCCN1)c1ccccc1 ZINC000040430510 177020331 /nfs/dbraw/zinc/02/03/31/177020331.db2.gz AYPYSUHQDDSYHI-JQWIXIFHSA-N 0 1 219.284 2.043 10 0 BEAEMN C[C@H]([C@@H]1CCCO1)n1c(N)nc2ccccc21 ZINC000035736352 177031121 /nfs/dbraw/zinc/03/11/21/177031121.db2.gz PIMCYCLINGXPQD-SKDRFNHKSA-N 0 1 231.299 2.359 10 0 BEAEMN C[C@H]([C@H]1CCCO1)n1c(N)nc2ccccc21 ZINC000035736354 177032093 /nfs/dbraw/zinc/03/20/93/177032093.db2.gz PIMCYCLINGXPQD-BXKDBHETSA-N 0 1 231.299 2.359 10 0 BEAEMN C[C@H](c1ccccn1)N(C)[C@H]1CCCCN1 ZINC000242463738 177043592 /nfs/dbraw/zinc/04/35/92/177043592.db2.gz DILMUIWNBOBMBE-YPMHNXCESA-N 0 1 219.332 2.174 10 0 BEAEMN C[C@H](c1nccs1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083404196 177054395 /nfs/dbraw/zinc/05/43/95/177054395.db2.gz DEYRKDJKGNULEA-BDAKNGLRSA-N 0 1 240.328 2.001 10 0 BEAEMN C[C@H]1CCCC[C@@H]1[N@@H+](C)C/C=C/C(=O)[O-] ZINC000051859865 177080846 /nfs/dbraw/zinc/08/08/46/177080846.db2.gz BQXTUMXWZPYRAK-VAZREYJMSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@H]1CCCC[C@@H]1OC(=O)C1(N)CCCC1 ZINC000048633462 177083777 /nfs/dbraw/zinc/08/37/77/177083777.db2.gz WREUVQMIXRTCTA-QWRGUYRKSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@H]1CCCC[C@@H]1OCc1cc(CN)no1 ZINC000052620770 177084672 /nfs/dbraw/zinc/08/46/72/177084672.db2.gz NWGNYMKUKYXGMQ-CABZTGNLSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@H]1CCCN(CC(=O)c2ccn(C)c2)CC1 ZINC000104354837 177096559 /nfs/dbraw/zinc/09/65/59/177096559.db2.gz HLTSCKAHTWLDOB-LBPRGKRZSA-N 0 1 234.343 2.330 10 0 BEAEMN C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccn[nH]1 ZINC000041013922 177114171 /nfs/dbraw/zinc/11/41/71/177114171.db2.gz AVGXUKZAHAOHOV-DHHPTOIESA-N 0 1 207.321 2.324 10 0 BEAEMN C[C@H]1[C@H](NCc2csnn2)CCC[C@@H]1C ZINC000036901962 177122884 /nfs/dbraw/zinc/12/28/84/177122884.db2.gz VCTUKORKCFBIDB-IQJOONFLSA-N 0 1 225.361 2.452 10 0 BEAEMN C[C@H]1CCC[C@H](C)N1Cc1csc(N)n1 ZINC000036732537 177132485 /nfs/dbraw/zinc/13/24/85/177132485.db2.gz KPFGMCHNMGXYOG-IUCAKERBSA-N 0 1 225.361 2.488 10 0 BEAEMN C[C@H]1CCC[C@H](OCc2cc(CN)no2)C1 ZINC000052631984 177138264 /nfs/dbraw/zinc/13/82/64/177138264.db2.gz BVUWMWPRONQTCB-ONGXEEELSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@H]1CCC[C@](CO)(NCc2cscn2)C1 ZINC000053117435 177143809 /nfs/dbraw/zinc/14/38/09/177143809.db2.gz CICZHGLUYNPLFD-JQWIXIFHSA-N 0 1 240.372 2.174 10 0 BEAEMN C[C@@H]1C[C@@H](C)CC[N@H+]1CC(C)(C)C(=O)[O-] ZINC000051748609 177159180 /nfs/dbraw/zinc/15/91/80/177159180.db2.gz QVMKPCSLYLSIPJ-VHSXEESVSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H]1CN(CC[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000285045871 177253835 /nfs/dbraw/zinc/25/38/35/177253835.db2.gz CMJMYWPNEBLCGB-KCQAQPDRSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@H]1CN(Cc2ccccn2)CCS1 ZINC000171688055 177266913 /nfs/dbraw/zinc/26/69/13/177266913.db2.gz BECAORGOWNCBDX-JTQLQIEISA-N 0 1 208.330 2.019 10 0 BEAEMN C[C@H]1CO[C@H](c2c(F)cccc2F)CN1 ZINC000036986487 177302572 /nfs/dbraw/zinc/30/25/72/177302572.db2.gz WMVBIWWNGZIJEU-XVKPBYJWSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H](NC1=N[C@@H](C)CS1)c1cccnc1 ZINC000035692462 177303457 /nfs/dbraw/zinc/30/34/57/177303457.db2.gz NURRXWLYUJDEIH-IUCAKERBSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000250786318 487740039 /nfs/dbraw/zinc/74/00/39/487740039.db2.gz GEUCHVILYKGIGH-IUODEOHRSA-N 0 1 245.322 2.265 10 0 BEAEMN NC1(c2noc([C@@H]3C[C@H]4C[C@H]4C3)n2)CCCC1 ZINC000251022421 487745763 /nfs/dbraw/zinc/74/57/63/487745763.db2.gz FHKFWZZVGKCEMQ-ILWJIGKKSA-N 0 1 233.315 2.311 10 0 BEAEMN Cc1nnc(CNC2CCCCC2)s1 ZINC000134664330 591945708 /nfs/dbraw/zinc/94/57/08/591945708.db2.gz TVLJSJYMVHDGSO-UHFFFAOYSA-N 0 1 211.334 2.269 10 0 BEAEMN O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccco1 ZINC000049395437 323160070 /nfs/dbraw/zinc/16/00/70/323160070.db2.gz LCGSKXQWWAYAKY-GFCCVEGCSA-N 0 1 244.294 2.135 10 0 BEAEMN c1cc(NCc2ccc3nc[nH]c3c2)no1 ZINC000309325862 323342300 /nfs/dbraw/zinc/34/23/00/323342300.db2.gz GOCWDRHBCSFMOB-UHFFFAOYSA-N 0 1 214.228 2.163 10 0 BEAEMN COC[C@H](C)NCc1cc(OC)ccc1Cl ZINC000309663244 487999838 /nfs/dbraw/zinc/99/98/38/487999838.db2.gz SFBBTOZZVCCUCJ-VIFPVBQESA-N 0 1 243.734 2.473 10 0 BEAEMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978170 488014646 /nfs/dbraw/zinc/01/46/46/488014646.db2.gz GEUCHVILYKGIGH-SWLSCSKDSA-N 0 1 245.322 2.265 10 0 BEAEMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978085 488014663 /nfs/dbraw/zinc/01/46/63/488014663.db2.gz RHTFBPXWVLVNAL-QWHCGFSZSA-N 0 1 245.322 2.265 10 0 BEAEMN CCCN(Cc1cncnc1)C[C@@H]1CCCCO1 ZINC000119559272 487556655 /nfs/dbraw/zinc/55/66/55/487556655.db2.gz KFOBJGBGCLWUPJ-AWEZNQCLSA-N 0 1 249.358 2.258 10 0 BEAEMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534418 487489752 /nfs/dbraw/zinc/48/97/52/487489752.db2.gz OFMGTKWSNRBMQX-QWRGUYRKSA-N 0 1 248.326 2.400 10 0 BEAEMN COc1ccccc1[C@@H](C)NC1CSC1 ZINC000215965529 491124847 /nfs/dbraw/zinc/12/48/47/491124847.db2.gz CXMIJDSPXAGPFC-SECBINFHSA-N 0 1 223.341 2.461 10 0 BEAEMN Cc1cc([C@@H](C)NCC[C@@H]2CCCO2)no1 ZINC000309619362 491152634 /nfs/dbraw/zinc/15/26/34/491152634.db2.gz CSTAMSCBWHAZNP-MNOVXSKESA-N 0 1 224.304 2.203 10 0 BEAEMN Cc1nc(C(=O)CC(C)C)sc1CN ZINC000757125856 582500838 /nfs/dbraw/zinc/50/08/38/582500838.db2.gz UOHFUJZWBCZYKI-UHFFFAOYSA-N 0 1 212.318 2.139 10 0 BEAEMN CC[C@H]1CCC[C@@]2(CC1)NC1(COC1)CCO2 ZINC000757153854 582538981 /nfs/dbraw/zinc/53/89/81/582538981.db2.gz ZPZSBZKSFDYYRE-GXTWGEPZSA-N 0 1 239.359 2.452 10 0 BEAEMN c1cc2c(o1)CCN[C@@H]2[C@@H]1CCCCO1 ZINC000702581437 582927109 /nfs/dbraw/zinc/92/71/09/582927109.db2.gz TUGMPXCBRHFEMD-RYUDHWBXSA-N 0 1 207.273 2.036 10 0 BEAEMN CC(C(=O)C(C)(F)F)=C(O)[C@@H]1C[C@H]1C ZINC000321702730 566482746 /nfs/dbraw/zinc/48/27/46/566482746.db2.gz DKTSUKDJLDDREX-FSDSQADBSA-N 0 1 204.216 2.072 10 0 BEAEMN FC(F)(F)[C@H]1CNCc2ccccc21 ZINC000214274312 582457932 /nfs/dbraw/zinc/45/79/32/582457932.db2.gz MYLHWAPUKOBFOT-VIFPVBQESA-N 0 1 201.191 2.436 10 0 BEAEMN CC1(C)CCC[C@]2(CC1)NC1(COC1)CCO2 ZINC000757144767 582525321 /nfs/dbraw/zinc/52/53/21/582525321.db2.gz GPXAMKQXTYZUKW-AWEZNQCLSA-N 0 1 239.359 2.452 10 0 BEAEMN CC(C)[C@H]1CCC[C@]2(C1)NC1(COC1)CCO2 ZINC000757152587 582537674 /nfs/dbraw/zinc/53/76/74/582537674.db2.gz UTYAVWVNLTYSSW-JSGCOSHPSA-N 0 1 239.359 2.308 10 0 BEAEMN CCc1ccc([C@@H]2NCCc3nc[nH]c32)s1 ZINC000400487398 582579169 /nfs/dbraw/zinc/57/91/69/582579169.db2.gz ZSYDVOCIQPKLNN-LBPRGKRZSA-N 0 1 233.340 2.269 10 0 BEAEMN C[C@H]1C[C@@H](C(F)(F)F)Nc2nccn21 ZINC000235574072 582594888 /nfs/dbraw/zinc/59/48/88/582594888.db2.gz SJMNUMNAEJSRIU-WDSKDSINSA-N 0 1 205.183 2.191 10 0 BEAEMN Fc1cccc([C@@H]2CCNc3nccn32)c1 ZINC000236224327 582641535 /nfs/dbraw/zinc/64/15/35/582641535.db2.gz IZCHKOVMARBJEL-NSHDSACASA-N 0 1 217.247 2.427 10 0 BEAEMN Fc1cccc2c1CC[C@H]2NCc1c[nH]cn1 ZINC000112344068 582819896 /nfs/dbraw/zinc/81/98/96/582819896.db2.gz KLMCPNBXXPXODL-CYBMUJFWSA-N 0 1 231.274 2.326 10 0 BEAEMN C[C@@H](C(=O)C(F)F)C(=O)C1CCCC1 ZINC000387403440 582865201 /nfs/dbraw/zinc/86/52/01/582865201.db2.gz BDEZNGTVNCYHCO-ZCFIWIBFSA-N 0 1 204.216 2.216 10 0 BEAEMN CCOCCC(O)=C(C)C(=O)C(C)(C)C ZINC000395492360 583059345 /nfs/dbraw/zinc/05/93/45/583059345.db2.gz ZQKQEYANKQAQES-SECBINFHSA-N 0 1 214.305 2.233 10 0 BEAEMN C[C@@H](C(=O)[C@@H]1CC1(C)C)C(=O)C(C)(F)F ZINC000397573378 583102365 /nfs/dbraw/zinc/10/23/65/583102365.db2.gz FLEDBZXCPZHXTL-BQBZGAKWSA-N 0 1 218.243 2.462 10 0 BEAEMN CCC(C(=O)C(F)F)=C(O)[C@@H]1CC1(C)C ZINC000397717407 583108061 /nfs/dbraw/zinc/10/80/61/583108061.db2.gz VCUSUVQKZDKFLP-RQJHMYQMSA-N 0 1 218.243 2.462 10 0 BEAEMN COc1ccc([C@H]2CCOC(C)(C)N2)cc1 ZINC000757140208 586427371 /nfs/dbraw/zinc/42/73/71/586427371.db2.gz KXFSGSIPFUMCQO-GFCCVEGCSA-N 0 1 221.300 2.482 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2c(C)cccc2C)C1 ZINC000757185779 586434185 /nfs/dbraw/zinc/43/41/85/586434185.db2.gz CPCYQTKDYCMGTK-STQMWFEESA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2c(C)cccc2C)C1 ZINC000757185769 586434210 /nfs/dbraw/zinc/43/42/10/586434210.db2.gz CPCYQTKDYCMGTK-OLZOCXBDSA-N 0 1 247.338 2.423 10 0 BEAEMN COC(=O)/C=C1/CN(Cc2ccccc2)C[C@@H]1C ZINC000757190700 586435617 /nfs/dbraw/zinc/43/56/17/586435617.db2.gz BVIYJUYHSUABAO-QENILXLESA-N 0 1 245.322 2.238 10 0 BEAEMN CCC1CCC(NC(=O)c2cnccc2N)CC1 ZINC000127379769 590634838 /nfs/dbraw/zinc/63/48/38/590634838.db2.gz LHGRSWGZBZBYAB-UHFFFAOYSA-N 0 1 247.342 2.362 10 0 BEAEMN C[C@H](C(N)=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000217828270 592149491 /nfs/dbraw/zinc/14/94/91/592149491.db2.gz LZERGYSUKJRHIJ-DTWKUNHWSA-N 0 1 240.734 2.207 10 0 BEAEMN C[C@@H](NCc1nc(Cl)cs1)[C@@H]1CCCO1 ZINC000309087946 631875516 /nfs/dbraw/zinc/87/55/16/631875516.db2.gz ABZZGSMEQFEEGS-SFYZADRCSA-N 0 1 246.763 2.454 10 0 BEAEMN CO[C@@H]1CC[C@H](N[C@H](C)c2ncc(C)o2)C1 ZINC000309941507 632686068 /nfs/dbraw/zinc/68/60/68/632686068.db2.gz BUESIIWGWMIWLY-OUAUKWLOSA-N 0 1 224.304 2.201 10 0 BEAEMN COC1CC([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000328327593 633755727 /nfs/dbraw/zinc/75/57/27/633755727.db2.gz GZKMSKDJPKKLEM-UHFFFAOYSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@@H](O)[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000309952318 633974128 /nfs/dbraw/zinc/97/41/28/633974128.db2.gz GSDZFDZNCZADGZ-DTWKUNHWSA-N 0 1 242.388 2.300 10 0 BEAEMN COc1ccccc1[C@@H](O)CNCc1ccco1 ZINC000032102844 640587014 /nfs/dbraw/zinc/58/70/14/640587014.db2.gz ZHNBFXJOBFXKDY-ZDUSSCGKSA-N 0 1 247.294 2.111 10 0 BEAEMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C/C=C/Cl)C1 ZINC000062877631 641106240 /nfs/dbraw/zinc/10/62/40/641106240.db2.gz YGQNGZIWDGFOSG-MALLOTDXSA-N 0 1 231.723 2.316 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1CCc1cccs1 ZINC000077364863 641145741 /nfs/dbraw/zinc/14/57/41/641145741.db2.gz WTQKWVOPFKSKOV-PHIMTYICSA-N 0 1 225.357 2.400 10 0 BEAEMN Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000075991899 642932602 /nfs/dbraw/zinc/93/26/02/642932602.db2.gz UYECARDCPCPLCP-OLZOCXBDSA-N 0 1 233.311 2.033 10 0 BEAEMN O[C@H](CN1CCCC1)c1cc(F)ccc1F ZINC000049820713 643464283 /nfs/dbraw/zinc/46/42/83/643464283.db2.gz HBKZAGYSUFQRQH-GFCCVEGCSA-N 0 1 227.254 2.094 10 0 BEAEMN Nc1cc(-c2nnc[nH]2)cc(C(F)(F)F)c1 ZINC000042040820 643502165 /nfs/dbraw/zinc/50/21/65/643502165.db2.gz ZJZFHRJKJSEQCJ-UHFFFAOYSA-N 0 1 228.177 2.073 10 0 BEAEMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CCc2ccccc21 ZINC000086726882 644167381 /nfs/dbraw/zinc/16/73/81/644167381.db2.gz YTGIBINGTJYCBF-QWHCGFSZSA-N 0 1 231.295 2.223 10 0 BEAEMN CC[C@@H](C)c1noc(-c2ccc(CN)o2)n1 ZINC000087043508 644475450 /nfs/dbraw/zinc/47/54/50/644475450.db2.gz IMVHPVGOIPMJRW-SSDOTTSWSA-N 0 1 221.260 2.302 10 0 BEAEMN OC[C@@H](NC/C=C\Cl)c1ccccc1 ZINC000308413977 711526136 /nfs/dbraw/zinc/52/61/36/711526136.db2.gz NFLJGOKHJJSPBH-MEQVVJDKSA-N 0 1 211.692 2.062 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1nnc(CC)s1 ZINC000702715169 712060012 /nfs/dbraw/zinc/06/00/12/712060012.db2.gz ZOFRUNVWHITGFQ-BDAKNGLRSA-N 0 1 225.361 2.379 10 0 BEAEMN CC(C)[C@H](C)N1CCc2sc(CN)nc2C1 ZINC000709698017 712215978 /nfs/dbraw/zinc/21/59/78/712215978.db2.gz VMQRLIAPZTYLTQ-VIFPVBQESA-N 0 1 239.388 2.004 10 0 BEAEMN C[C@H](NCc1scnc1Cl)[C@@H]1CCCO1 ZINC000713445959 711489992 /nfs/dbraw/zinc/48/99/92/711489992.db2.gz AOIXCWXVZPPJPB-YUMQZZPRSA-N 0 1 246.763 2.454 10 0 BEAEMN Cc1cnc(CNCc2ccncc2)c(C)c1 ZINC000724023175 711556685 /nfs/dbraw/zinc/55/66/85/711556685.db2.gz NCSSKHONDJTLQB-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN COCC1(CN[C@@H](C)c2ncc(C)o2)CCC1 ZINC000310135078 711838113 /nfs/dbraw/zinc/83/81/13/711838113.db2.gz LTDFWDYTQNWSTJ-NSHDSACASA-N 0 1 238.331 2.450 10 0 BEAEMN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000700466624 711993411 /nfs/dbraw/zinc/99/34/11/711993411.db2.gz CDZFBGOHIWUELZ-MNOVXSKESA-N 0 1 235.331 2.159 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCSC1 ZINC000718364684 712757107 /nfs/dbraw/zinc/75/71/07/712757107.db2.gz YZNZXQKICNXFPE-GHMZBOCLSA-N 0 1 245.388 2.171 10 0 BEAEMN O=C([O-])CCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708821948 977445034 /nfs/dbraw/zinc/44/50/34/977445034.db2.gz IHJAEKJAKJZSDG-GFCCVEGCSA-N 0 1 225.332 2.363 10 0 BEAEMN CC[C@H](SCCCn1cc[nH+]c1C)C(=O)[O-] ZINC000699505757 954850475 /nfs/dbraw/zinc/85/04/75/954850475.db2.gz SQZLMRMPMBGNEY-JTQLQIEISA-N 0 1 242.344 2.178 10 0 BEAEMN CN(Cc1ccnc(Cl)c1)C[C@@H]1CCCO1 ZINC000051924517 959758316 /nfs/dbraw/zinc/75/83/16/959758316.db2.gz KTANDWNBQMPUMX-NSHDSACASA-N 0 1 240.734 2.346 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706339655 969014361 /nfs/dbraw/zinc/01/43/61/969014361.db2.gz AMWLEBFOFGMBDL-RKDXNWHRSA-N 0 1 235.274 2.073 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000718074696 969099078 /nfs/dbraw/zinc/09/90/78/969099078.db2.gz YMFQZPWTSSPKAQ-GXSJLCMTSA-N 0 1 237.299 2.131 10 0 BEAEMN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1F ZINC000689816397 976264848 /nfs/dbraw/zinc/26/48/48/976264848.db2.gz LEBSKSDNANMKSA-VIFPVBQESA-N 0 1 241.237 2.068 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](F)C2)cc1F ZINC000689816397 976264850 /nfs/dbraw/zinc/26/48/50/976264850.db2.gz LEBSKSDNANMKSA-VIFPVBQESA-N 0 1 241.237 2.068 10 0 BEAEMN C[N@H+](C/C(Cl)=C/Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693008659 976562325 /nfs/dbraw/zinc/56/23/25/976562325.db2.gz KTWMYISEQGLFOO-HVZHOZSVSA-N 0 1 238.114 2.100 10 0 BEAEMN C[N@@H+](C/C(Cl)=C/Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693008659 976562334 /nfs/dbraw/zinc/56/23/34/976562334.db2.gz KTWMYISEQGLFOO-HVZHOZSVSA-N 0 1 238.114 2.100 10 0 BEAEMN C[N@@H+](Cc1ccsc1)C(C)(C)CC(=O)[O-] ZINC000694019510 976662224 /nfs/dbraw/zinc/66/22/24/976662224.db2.gz GSEDDISLACOZPM-UHFFFAOYSA-N 0 1 227.329 2.433 10 0 BEAEMN Cc1cc(C[N@H+](C)C2(C(=O)[O-])CCCC2)ccn1 ZINC000703493575 977167105 /nfs/dbraw/zinc/16/71/05/977167105.db2.gz VBNNYYDBWZNWGO-UHFFFAOYSA-N 0 1 248.326 2.219 10 0 BEAEMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703869672 977208107 /nfs/dbraw/zinc/20/81/07/977208107.db2.gz SQNHFBLGZVMSQE-UHFFFAOYSA-N 0 1 242.706 2.032 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1Cn1cc[nH+]c1C1CC1 ZINC000704186892 977222579 /nfs/dbraw/zinc/22/25/79/977222579.db2.gz JTADTDLRLCNONB-UHFFFAOYSA-N 0 1 246.266 2.408 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000706744916 977360438 /nfs/dbraw/zinc/36/04/38/977360438.db2.gz UOBZVYHGLDLNCQ-WDEREUQCSA-N 0 1 249.310 2.104 10 0 BEAEMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@H]1C ZINC000706911484 977368026 /nfs/dbraw/zinc/36/80/26/977368026.db2.gz BABVMQCCRZCBFI-JFGNBEQYSA-N 0 1 219.284 2.153 10 0 BEAEMN Cc1cc(Cn2cc[nH+]c2C2CC2)oc1C(=O)[O-] ZINC000707489998 977394808 /nfs/dbraw/zinc/39/48/08/977394808.db2.gz AUFXFDJVWPUXOF-UHFFFAOYSA-N 0 1 246.266 2.408 10 0 BEAEMN C[C@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@]1(C)C(=O)[O-] ZINC000710203322 977493371 /nfs/dbraw/zinc/49/33/71/977493371.db2.gz CKJJLGHQPCCABL-KWQFWETISA-N 0 1 247.285 2.074 10 0 BEAEMN C=C/C=C/CC[N@H+](CC)C(C)(C)C(=O)[O-] ZINC000713700449 977657054 /nfs/dbraw/zinc/65/70/54/977657054.db2.gz BWXRUOGENAMDTG-BQYQJAHWSA-N 0 1 211.305 2.304 10 0 BEAEMN Cc1cn(Cc2ccccc2C(=O)[O-])c(C)[nH+]1 ZINC000714427273 977672351 /nfs/dbraw/zinc/67/23/51/977672351.db2.gz HOUDXFVPRUXRJR-UHFFFAOYSA-N 0 1 230.267 2.246 10 0 BEAEMN C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000715809904 977788443 /nfs/dbraw/zinc/78/84/43/977788443.db2.gz BVBDWQPKXLHXLW-HKUMRIAESA-N 0 1 237.343 2.219 10 0 BEAEMN Cc1coc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000718058059 977937728 /nfs/dbraw/zinc/93/77/28/977937728.db2.gz HQFHCOXTNVBRQA-CMPLNLGQSA-N 0 1 237.299 2.131 10 0 BEAEMN CC(C)CCCCOCC(F)(F)CN ZINC000685955332 538900668 /nfs/dbraw/zinc/90/06/68/538900668.db2.gz COCRACFLRNWIAD-UHFFFAOYSA-N 0 1 209.280 2.423 10 0 BEAEMN CC(C)CC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000685962197 538908943 /nfs/dbraw/zinc/90/89/43/538908943.db2.gz XUWAENGLAINORM-CQSZACIVSA-N 0 1 248.370 2.061 10 0 BEAEMN Fc1ccc(-c2[nH]nc3c2COCC3)cc1 ZINC000685952305 538896556 /nfs/dbraw/zinc/89/65/56/538896556.db2.gz FARNGILXCPWWFJ-UHFFFAOYSA-N 0 1 218.231 2.289 10 0 BEAEMN C=C(OCC)c1csc([C@H](C)NC)n1 ZINC000685965241 538911557 /nfs/dbraw/zinc/91/15/57/538911557.db2.gz VPIHTMWKLWVSAH-ZETCQYMHSA-N 0 1 212.318 2.431 10 0 BEAEMN CCC(CC)Cn1cc(O)c(C(C)=O)n1 ZINC000685965575 538911886 /nfs/dbraw/zinc/91/18/86/538911886.db2.gz JXMXDLJCSQGKEY-UHFFFAOYSA-N 0 1 210.277 2.228 10 0 BEAEMN COCc1nc(CNCCCCF)cs1 ZINC000380249484 398190833 /nfs/dbraw/zinc/19/08/33/398190833.db2.gz OXBBMTPVIMMSTL-UHFFFAOYSA-N 0 1 232.324 2.129 10 0 BEAEMN Cc1cc(N(C)C2CCCC2)ncc1N ZINC000077299082 178096560 /nfs/dbraw/zinc/09/65/60/178096560.db2.gz SYJWLZIFUSTCPW-UHFFFAOYSA-N 0 1 205.305 2.351 10 0 BEAEMN Cc1cc(N)ccc1NC(=O)CN1CCC[C@@H]1C ZINC000037909681 178106125 /nfs/dbraw/zinc/10/61/25/178106125.db2.gz DIGZPIWTUCIOTM-NSHDSACASA-N 0 1 247.342 2.000 10 0 BEAEMN Cc1cc([C@@H](C)NC[C@@H](O)C(C)(C)C)no1 ZINC000336729023 178226163 /nfs/dbraw/zinc/22/61/63/178226163.db2.gz CWYAZLOSGFIYCG-MWLCHTKSSA-N 0 1 226.320 2.041 10 0 BEAEMN Cc1[nH]ncc1CNC(=O)C[C@H](C)C(C)(C)C ZINC000111617654 398240041 /nfs/dbraw/zinc/24/00/41/398240041.db2.gz WFVBGZYBPUFRKO-VIFPVBQESA-N 0 1 237.347 2.407 10 0 BEAEMN Cc1ccc(C2=NN(C)C(=O)C2)cc1C ZINC000100231372 178321900 /nfs/dbraw/zinc/32/19/00/178321900.db2.gz LOOCXCJJZYLAQT-UHFFFAOYSA-N 0 1 202.257 2.410 10 0 BEAEMN Cc1ccc(-c2c[nH+]c(N)cc2C(=O)[O-])cc1 ZINC000065347061 178328644 /nfs/dbraw/zinc/32/86/44/178328644.db2.gz NJHGWRBGVZOPSQ-UHFFFAOYSA-N 0 1 228.251 2.337 10 0 BEAEMN CCC(CC)[N@@H+](CCCCC(=O)[O-])CCOC ZINC000042680294 168371853 /nfs/dbraw/zinc/37/18/53/168371853.db2.gz KAMPQMJWMRDLHT-UHFFFAOYSA-N 0 1 245.363 2.378 10 0 BEAEMN C[C@@H](CO)CN1CCCC[C@H]1c1nccs1 ZINC000678044811 488179555 /nfs/dbraw/zinc/17/95/55/488179555.db2.gz HDAOWXBDVBECQY-MNOVXSKESA-N 0 1 240.372 2.299 10 0 BEAEMN CCOC(=O)C[C@@H](N)c1c(F)cccc1Cl ZINC000057353618 342722934 /nfs/dbraw/zinc/72/29/34/342722934.db2.gz CSUYOEYPRWVGSU-SECBINFHSA-N 0 1 245.681 2.432 10 0 BEAEMN Cc1ccc(C)c(NC(=O)N2CCNC[C@@H]2C)c1 ZINC000335128647 398280355 /nfs/dbraw/zinc/28/03/55/398280355.db2.gz UEGMAPYJMKJYBU-LBPRGKRZSA-N 0 1 247.342 2.129 10 0 BEAEMN Cc1ccc2c(c1)N(Cc1cnc[nH]1)CCO2 ZINC000144887693 342754101 /nfs/dbraw/zinc/75/41/01/342754101.db2.gz XWSBQZPEDIVINQ-UHFFFAOYSA-N 0 1 229.283 2.117 10 0 BEAEMN CNc1ccncc1C(=O)NCc1ccccc1 ZINC000126886761 342800693 /nfs/dbraw/zinc/80/06/93/342800693.db2.gz ABVUSDTVCXMMFK-UHFFFAOYSA-N 0 1 241.294 2.053 10 0 BEAEMN [NH3+]/C(=C\c1cscc1C(F)(F)F)C(=O)[O-] ZINC000379839001 361896762 /nfs/dbraw/zinc/89/67/62/361896762.db2.gz CNNGPQWJSJKYHN-BHQIHCQQSA-N 0 1 237.202 2.151 10 0 BEAEMN Clc1cccc(NCc2nnc[nH]2)c1 ZINC000042040759 361930096 /nfs/dbraw/zinc/93/00/96/361930096.db2.gz GHGAIUAMQYLCOO-UHFFFAOYSA-N 0 1 208.652 2.070 10 0 BEAEMN C[C@@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)[C@@H]1C ZINC000050566747 539011110 /nfs/dbraw/zinc/01/11/10/539011110.db2.gz WMXFNLJFXHRYJR-NXEZZACHSA-N 0 1 234.299 2.405 10 0 BEAEMN Cc1cc([C@H](C)NCC[C@@H]2CCCO2)no1 ZINC000381436344 539000679 /nfs/dbraw/zinc/00/06/79/539000679.db2.gz CSTAMSCBWHAZNP-QWRGUYRKSA-N 0 1 224.304 2.203 10 0 BEAEMN Nc1nc(=S)[nH]c(-c2ccc(Cl)s2)n1 ZINC000105976214 539016586 /nfs/dbraw/zinc/01/65/86/539016586.db2.gz SKIYZWCZTPSDCY-UHFFFAOYSA-N 0 1 244.732 2.124 10 0 BEAEMN CCN(CC)c1c(N)cncc1Br ZINC000233447247 342862135 /nfs/dbraw/zinc/86/21/35/342862135.db2.gz OWOZUUFBWURLCA-UHFFFAOYSA-N 0 1 244.136 2.273 10 0 BEAEMN CC(C)(N)C(=O)c1sccc1Cl ZINC000229956575 342860283 /nfs/dbraw/zinc/86/02/83/342860283.db2.gz VINFRIPXGQDPOT-UHFFFAOYSA-N 0 1 203.694 2.322 10 0 BEAEMN Nc1nc(NCc2ccccc2)cc(=S)[nH]1 ZINC000017313852 342923559 /nfs/dbraw/zinc/92/35/59/342923559.db2.gz NHKVGQJKAIDMRO-UHFFFAOYSA-N 0 1 232.312 2.333 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1C[C@H]2CCC[C@@H]21 ZINC000351729051 136249896 /nfs/dbraw/zinc/24/98/96/136249896.db2.gz CDHKORLCDUSSJI-WOPDTQHZSA-N 0 1 225.332 2.058 10 0 BEAEMN CC1(C)SC(=O)N(c2ccccc2)[C@H]1N ZINC000026479093 192056003 /nfs/dbraw/zinc/05/60/03/192056003.db2.gz QHMVSMICSGVUDA-SECBINFHSA-N 0 1 222.313 2.423 10 0 BEAEMN CC[N@H+]1CCC[C@H](NCc2csc(C)n2)C1 ZINC000040502567 346901937 /nfs/dbraw/zinc/90/19/37/346901937.db2.gz QQSMLSDALXWXNW-NSHDSACASA-N 0 1 239.388 2.025 10 0 BEAEMN C[C@H]([N@@H+](C)Cc1oncc1C(=O)[O-])C(C)(C)C ZINC000304550353 259335351 /nfs/dbraw/zinc/33/53/51/259335351.db2.gz FKCBGEKCGLZIBC-QMMMGPOBSA-N 0 1 240.303 2.239 10 0 BEAEMN C[C@@H]([N@@H+](C)Cc1oncc1C(=O)[O-])C(C)(C)C ZINC000304550350 259335527 /nfs/dbraw/zinc/33/55/27/259335527.db2.gz FKCBGEKCGLZIBC-MRVPVSSYSA-N 0 1 240.303 2.239 10 0 BEAEMN COC(=O)c1ccc2n[nH]c(C(F)(F)F)c2c1 ZINC000260483721 349717283 /nfs/dbraw/zinc/71/72/83/349717283.db2.gz HZSDDKGFPWPFBH-UHFFFAOYSA-N 0 1 244.172 2.368 10 0 BEAEMN CC(C)[C@H](N)C(=O)c1ccc(F)cc1F ZINC000071518689 362006432 /nfs/dbraw/zinc/00/64/32/362006432.db2.gz GULNORRRFJLEPB-JTQLQIEISA-N 0 1 213.227 2.131 10 0 BEAEMN CCNc1c(N)cnc2ccc(Cl)cc21 ZINC000584882864 343085616 /nfs/dbraw/zinc/08/56/16/343085616.db2.gz XFESLZVQNKSIQK-UHFFFAOYSA-N 0 1 221.691 2.324 10 0 BEAEMN CCc1cc(/C=C2\CN3CCC2CC3)on1 ZINC000013802440 343104172 /nfs/dbraw/zinc/10/41/72/343104172.db2.gz UBEJCOQXBWYFFX-YRNVUSSQSA-N 0 1 218.300 2.346 10 0 BEAEMN NCc1nc2c(s1)Cc1ccccc1-2 ZINC000013478221 343105225 /nfs/dbraw/zinc/10/52/25/343105225.db2.gz BWMPCVUUCJUXJL-UHFFFAOYSA-N 0 1 202.282 2.173 10 0 BEAEMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000092925680 343148442 /nfs/dbraw/zinc/14/84/42/343148442.db2.gz CEKLZWZHAAEGEI-KGYLQXTDSA-N 0 1 245.322 2.121 10 0 BEAEMN COC[C@@H](C)CNc1ccc2c(n1)CCC2 ZINC000127590889 343178443 /nfs/dbraw/zinc/17/84/43/343178443.db2.gz UCUSPSGVXZPGLX-JTQLQIEISA-N 0 1 220.316 2.265 10 0 BEAEMN C[C@H]1CNC[C@H](c2cc(F)ccc2F)O1 ZINC000036986399 187250812 /nfs/dbraw/zinc/25/08/12/187250812.db2.gz OGCNUJJIONCYEV-WRWORJQWSA-N 0 1 213.227 2.014 10 0 BEAEMN NC(=O)c1cccc2nc(-c3ccccc3)[nH]c21 ZINC000013834535 187251122 /nfs/dbraw/zinc/25/11/22/187251122.db2.gz OBBJGEVEIULNEO-UHFFFAOYSA-N 0 1 237.262 2.329 10 0 BEAEMN CC(C)C[C@@](C)(N)c1noc(C2CC2)n1 ZINC000036764119 187249871 /nfs/dbraw/zinc/24/98/71/187249871.db2.gz CPWSELLFGVYTAK-LLVKDONJSA-N 0 1 209.293 2.167 10 0 BEAEMN CCc1cc(C2=CCCN(C)C2)n(CC)n1 ZINC000034597625 343275929 /nfs/dbraw/zinc/27/59/29/343275929.db2.gz ACLGPFXTJSNPLG-UHFFFAOYSA-N 0 1 219.332 2.184 10 0 BEAEMN CCc1ccc2nc(CCCO)[nH]c2c1 ZINC000026462048 187255358 /nfs/dbraw/zinc/25/53/58/187255358.db2.gz SPDULORFCFLGDT-UHFFFAOYSA-N 0 1 204.273 2.050 10 0 BEAEMN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000035792881 343304475 /nfs/dbraw/zinc/30/44/75/343304475.db2.gz COPKRBMZZPNQJM-RNFRBKRXSA-N 0 1 244.697 2.004 10 0 BEAEMN COc1ccc(F)cc1C(=O)[C@@H](N)CC(C)C ZINC000036164233 187259337 /nfs/dbraw/zinc/25/93/37/187259337.db2.gz DUHATGHCGBARKR-NSHDSACASA-N 0 1 239.290 2.390 10 0 BEAEMN CC(C)(N)c1noc(CC2CCCCC2)n1 ZINC000041052831 187264560 /nfs/dbraw/zinc/26/45/60/187264560.db2.gz UMYDCXKXRHMFOR-UHFFFAOYSA-N 0 1 223.320 2.386 10 0 BEAEMN CCn1cncc1[C@H]1NCCc2ccsc21 ZINC000712541691 537790512 /nfs/dbraw/zinc/79/05/12/537790512.db2.gz AFVQWIDJQWIVGE-LLVKDONJSA-N 0 1 233.340 2.200 10 0 BEAEMN FC1(F)CCN(c2n[nH]c3cnccc32)CC1 ZINC000205176248 343618934 /nfs/dbraw/zinc/61/89/34/343618934.db2.gz NXGVVUVNAJKLHO-UHFFFAOYSA-N 0 1 238.241 2.193 10 0 BEAEMN Nc1cc(N2CCCCCC2)nc(C2CC2)n1 ZINC000126866010 343786817 /nfs/dbraw/zinc/78/68/17/343786817.db2.gz PCRYCMFVAVHXIX-UHFFFAOYSA-N 0 1 232.331 2.317 10 0 BEAEMN Cc1ccc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+]2C)cc1 ZINC000212764761 343791711 /nfs/dbraw/zinc/79/17/11/343791711.db2.gz PMZAEKUGYPJACC-RYUDHWBXSA-N 0 1 219.284 2.072 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1cccnc1 ZINC000409427153 343800085 /nfs/dbraw/zinc/80/00/85/343800085.db2.gz HREFKYSMHFBDLD-RYUDHWBXSA-N 0 1 234.299 2.082 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000409429841 343806641 /nfs/dbraw/zinc/80/66/41/343806641.db2.gz PLFXAGKMSXKDLM-HWOCKDDLSA-N 0 1 247.285 2.217 10 0 BEAEMN COC(=N)CCc1c(C)n[nH]c1CC(C)C ZINC000409441092 343855174 /nfs/dbraw/zinc/85/51/74/343855174.db2.gz QGKMGMLKACCUCM-UHFFFAOYSA-N 0 1 223.320 2.473 10 0 BEAEMN OCCc1c(-c2ccoc2)[nH]nc1C1CC1 ZINC000409441307 343856219 /nfs/dbraw/zinc/85/62/19/343856219.db2.gz QTQOQQXXULQXKP-UHFFFAOYSA-N 0 1 218.256 2.082 10 0 BEAEMN CCOc1cc(C=O)cc(OCC)c1O ZINC000115009723 346988806 /nfs/dbraw/zinc/98/88/06/346988806.db2.gz FVCJFTILMZRUER-UHFFFAOYSA-N 0 1 210.229 2.002 10 0 BEAEMN OCc1c(-c2ccccc2)[nH]nc1C1CC1 ZINC000409438727 343844946 /nfs/dbraw/zinc/84/49/46/343844946.db2.gz FIRGWEIUAPDHFC-UHFFFAOYSA-N 0 1 214.268 2.446 10 0 BEAEMN O=Cc1c(C2CC2)n[nH]c1C(F)(F)F ZINC000409438836 343845459 /nfs/dbraw/zinc/84/54/59/343845459.db2.gz GDTICBJHMYBJLF-UHFFFAOYSA-N 0 1 204.151 2.118 10 0 BEAEMN OCCc1c(C2CC2)n[nH]c1C1CCCC1 ZINC000409439119 343846524 /nfs/dbraw/zinc/84/65/24/343846524.db2.gz HBGBLQSYCWNQLB-UHFFFAOYSA-N 0 1 220.316 2.480 10 0 BEAEMN COC(=O)c1c(C2CC2)n[nH]c1-c1ccoc1 ZINC000409440315 343851592 /nfs/dbraw/zinc/85/15/92/343851592.db2.gz MJTOBFBGCJMGAB-UHFFFAOYSA-N 0 1 232.239 2.334 10 0 BEAEMN N=C(NO)[C@H](C1CCCC1)n1cccc1 ZINC000409442556 343858591 /nfs/dbraw/zinc/85/85/91/343858591.db2.gz WXNGNOLPPFGDBC-JTQLQIEISA-N 0 1 207.277 2.175 10 0 BEAEMN CC(C)c1n[nH]c(C(F)(F)F)c1C=O ZINC000409441862 343861573 /nfs/dbraw/zinc/86/15/73/343861573.db2.gz UGJNDIHZGGLANI-UHFFFAOYSA-N 0 1 206.167 2.364 10 0 BEAEMN CC(=O)c1c(F)ccc(O)c1Br ZINC000216865232 343919652 /nfs/dbraw/zinc/91/96/52/343919652.db2.gz XCQZAGBRNINOCK-UHFFFAOYSA-N 0 1 233.036 2.496 10 0 BEAEMN CN[C@@H](C)C(=O)c1c(C)cc(C)cc1F ZINC000234384038 343959937 /nfs/dbraw/zinc/95/99/37/343959937.db2.gz GXWZPEDFFMEIIT-VIFPVBQESA-N 0 1 209.264 2.233 10 0 BEAEMN Cc1cc(Cl)ccc1[C@H]1COC(=N)N1 ZINC000235780027 344130716 /nfs/dbraw/zinc/13/07/16/344130716.db2.gz VICOLHFTEAKJRI-SECBINFHSA-N 0 1 210.664 2.034 10 0 BEAEMN COc1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000616575558 344192343 /nfs/dbraw/zinc/19/23/43/344192343.db2.gz AYLLJPDJOMDXGV-UHFFFAOYSA-N 0 1 223.663 2.321 10 0 BEAEMN COc1cccc([C@H](C)NCc2cncnc2)c1 ZINC000054767928 344251413 /nfs/dbraw/zinc/25/14/13/344251413.db2.gz GTMVFFYVTNFRKT-NSHDSACASA-N 0 1 243.310 2.336 10 0 BEAEMN FC1(Cc2ccc(Br)cc2)CNC1 ZINC000158118148 344243522 /nfs/dbraw/zinc/24/35/22/344243522.db2.gz WWUZQVCKSHRSOF-UHFFFAOYSA-N 0 1 244.107 2.303 10 0 BEAEMN C[C@@H]1C[C@H](C)CN1CC(=O)c1ccco1 ZINC000158063275 344363429 /nfs/dbraw/zinc/36/34/29/344363429.db2.gz VSHQLNQGZSCENQ-VHSXEESVSA-N 0 1 207.273 2.193 10 0 BEAEMN CC(C)(C)N1CCCC[C@H]1c1conn1 ZINC000616616058 344544597 /nfs/dbraw/zinc/54/45/97/344544597.db2.gz YPIZXFIRJCANBF-JTQLQIEISA-N 0 1 209.293 2.395 10 0 BEAEMN CCOC(=O)c1ccc(C#N)c(Cl)c1O ZINC000396142733 344616692 /nfs/dbraw/zinc/61/66/92/344616692.db2.gz JQNNIHZRLZNMDR-UHFFFAOYSA-N 0 1 225.631 2.094 10 0 BEAEMN CCOC(=O)Cc1ccc(O)c(Cl)c1C#N ZINC000396148915 344622591 /nfs/dbraw/zinc/62/25/91/344622591.db2.gz NRGZGTMSQSBITN-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CCOC(=O)Cc1cc(Cl)c(O)cc1C#N ZINC000396155639 344627377 /nfs/dbraw/zinc/62/73/77/344627377.db2.gz VXQVUXYTTGORIT-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN COC(=O)Cc1cc(Cl)cc(Cl)c1O ZINC000221222468 344705800 /nfs/dbraw/zinc/70/58/00/344705800.db2.gz RTLSOUGNHKQYBS-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN CCOc1cccc([C@H]2NCCS2)c1 ZINC000050522926 344706401 /nfs/dbraw/zinc/70/64/01/344706401.db2.gz JPESHNHMSQLWBW-NSHDSACASA-N 0 1 209.314 2.420 10 0 BEAEMN COCc1cc(-c2c(C)[nH]n(C)c2=O)cs1 ZINC000675052957 537861199 /nfs/dbraw/zinc/86/11/99/537861199.db2.gz CPWJEDJZCXWKMS-UHFFFAOYSA-N 0 1 238.312 2.309 10 0 BEAEMN CNc1ccc(Cl)c(CNC2CC2)n1 ZINC000166301980 344851790 /nfs/dbraw/zinc/85/17/90/344851790.db2.gz HBUPYPPDVJORCA-UHFFFAOYSA-N 0 1 211.696 2.029 10 0 BEAEMN CS[C@@H]1CC[C@@H](N2CCC(=O)[C@@H](C)C2)C1 ZINC000235258365 344859998 /nfs/dbraw/zinc/85/99/98/344859998.db2.gz JCJVQOMZVZVDIL-HBNTYKKESA-N 0 1 227.373 2.181 10 0 BEAEMN C[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1C1CCCC1 ZINC000235604444 344952841 /nfs/dbraw/zinc/95/28/41/344952841.db2.gz PYOIGSSHCVOJJY-UWVGGRQHSA-N 0 1 211.305 2.114 10 0 BEAEMN Nc1nc2c(ccc(F)c2Br)[nH]1 ZINC000238610090 345092175 /nfs/dbraw/zinc/09/21/75/345092175.db2.gz NMOQBCYKVMUALO-UHFFFAOYSA-N 0 1 230.040 2.047 10 0 BEAEMN CCC[C@@H](C)CN(CC(=O)OC)C(C)C ZINC000051323742 345401503 /nfs/dbraw/zinc/40/15/03/345401503.db2.gz KGHARWKIPRPQOJ-LLVKDONJSA-N 0 1 215.337 2.306 10 0 BEAEMN c1nc2c(ncnc2N2CC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000080985320 345458458 /nfs/dbraw/zinc/45/84/58/345458458.db2.gz LMNWUVDBNADKOW-UWVGGRQHSA-N 0 1 243.314 2.122 10 0 BEAEMN COc1cc(O)c2c(=O)cc(C)oc2c1C ZINC000013484901 187307691 /nfs/dbraw/zinc/30/76/91/187307691.db2.gz DFAAYQHTFVTATL-UHFFFAOYSA-N 0 1 220.224 2.124 10 0 endogenous,in-man BEAEMN C[C@H]1CO[C@H](c2csc(Cl)c2)CN1 ZINC000235710334 345783625 /nfs/dbraw/zinc/78/36/25/345783625.db2.gz LSERJZILOLLMQI-XPUUQOCRSA-N 0 1 217.721 2.451 10 0 BEAEMN Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1 ZINC000219607995 345859177 /nfs/dbraw/zinc/85/91/77/345859177.db2.gz SMQYQMQTCFRHEJ-OIBJUYFYSA-N 0 1 201.191 2.337 10 0 BEAEMN CCCc1nc2cc(CO)cc(C)c2[nH]1 ZINC000141219759 345860075 /nfs/dbraw/zinc/86/00/75/345860075.db2.gz ARYZAINERCLZNL-UHFFFAOYSA-N 0 1 204.273 2.316 10 0 BEAEMN Nc1ccc2nc(CC(F)(F)F)[nH]c2c1 ZINC000019440672 187313975 /nfs/dbraw/zinc/31/39/75/187313975.db2.gz YRGLXGZVAOGLQY-UHFFFAOYSA-N 0 1 215.178 2.250 10 0 BEAEMN Fc1cnc2c(Br)c[nH]cc1-2 ZINC000096320878 346112291 /nfs/dbraw/zinc/11/22/91/346112291.db2.gz KRDIZQSRYYWOBT-UHFFFAOYSA-N 0 1 215.025 2.465 10 0 BEAEMN Cc1cc(-c2nc(=S)o[nH]2)ccc1F ZINC000061881158 346176516 /nfs/dbraw/zinc/17/65/16/346176516.db2.gz CCLUSHIWCXKVJT-UHFFFAOYSA-N 0 1 210.233 2.473 10 0 BEAEMN Cc1ccc2sc(C[C@H]3COCCN3)nc2c1 ZINC000076167381 178990786 /nfs/dbraw/zinc/99/07/86/178990786.db2.gz QKGBPBHSHPEHPU-JTQLQIEISA-N 0 1 248.351 2.136 10 0 BEAEMN Cc1cccc(C[C@@H](N)c2ncccn2)c1 ZINC000037467244 179104990 /nfs/dbraw/zinc/10/49/90/179104990.db2.gz LZCIZERQBBUPQL-GFCCVEGCSA-N 0 1 213.284 2.028 10 0 BEAEMN CC1=NN(C)C(=O)C1c1ccc(F)c(F)c1 ZINC000675055317 537989242 /nfs/dbraw/zinc/98/92/42/537989242.db2.gz ZVJYOWVCPLKISF-UHFFFAOYSA-N 0 1 224.210 2.379 10 0 BEAEMN Cc1[nH]n(C)c(=O)c1-c1ccc(F)c(F)c1 ZINC000675055317 537989249 /nfs/dbraw/zinc/98/92/49/537989249.db2.gz ZVJYOWVCPLKISF-UHFFFAOYSA-N 0 1 224.210 2.379 10 0 BEAEMN Cc1ccccc1C(=O)CCN1CCCOCC1 ZINC000061934048 179246446 /nfs/dbraw/zinc/24/64/46/179246446.db2.gz SDUQWONIRXWIBP-UHFFFAOYSA-N 0 1 247.338 2.290 10 0 BEAEMN CNCc1csc([C@H]2CC[C@H](C)O2)n1 ZINC000149939346 347570329 /nfs/dbraw/zinc/57/03/29/347570329.db2.gz WRJISYHYEIFNPA-IONNQARKSA-N 0 1 212.318 2.103 10 0 BEAEMN CCOC(=O)[C@H](C)N(C)CCCC1CCC1 ZINC000595374676 348232384 /nfs/dbraw/zinc/23/23/84/348232384.db2.gz AZEGYZPLWDQQGJ-NSHDSACASA-N 0 1 227.348 2.450 10 0 BEAEMN C[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCCCC[C@@H]1C ZINC000222030865 350000037 /nfs/dbraw/zinc/00/00/37/350000037.db2.gz MPLVJDCHHOLBJM-DCAQKATOSA-N 0 1 213.321 2.360 10 0 BEAEMN CCOC(=O)c1ccc(Cl)c2c1CNCC2 ZINC000669384612 538016503 /nfs/dbraw/zinc/01/65/03/538016503.db2.gz YRSQQBAOQJQSIM-UHFFFAOYSA-N 0 1 239.702 2.162 10 0 BEAEMN C[C@H](C(=O)Nc1cccnc1CN)C(C)(C)C ZINC000616572825 349063603 /nfs/dbraw/zinc/06/36/03/349063603.db2.gz PHVYYTNEPIQRIG-SECBINFHSA-N 0 1 235.331 2.161 10 0 BEAEMN ON=Cc1ccc(Br)c(F)c1 ZINC000257351057 349398231 /nfs/dbraw/zinc/39/82/31/349398231.db2.gz BWRQWJFKAYMQSH-UHFFFAOYSA-N 0 1 218.025 2.396 10 0 BEAEMN CN1CCc2ccccc2[C@@H]1c1ccno1 ZINC000616587391 349424734 /nfs/dbraw/zinc/42/47/34/349424734.db2.gz LKMYINHQPTTZAH-CYBMUJFWSA-N 0 1 214.268 2.252 10 0 BEAEMN Cc1nc([C@@H](C)NCCO)sc1C(C)(C)C ZINC000045205560 180035536 /nfs/dbraw/zinc/03/55/36/180035536.db2.gz HOTWULUPRMXLSG-SECBINFHSA-N 0 1 242.388 2.392 10 0 BEAEMN Cc1nc2cc(C(F)(F)F)ccn2c1N ZINC000082695074 180078589 /nfs/dbraw/zinc/07/85/89/180078589.db2.gz FCVZJBLXCNRXQZ-UHFFFAOYSA-N 0 1 215.178 2.244 10 0 BEAEMN N=C(NO)C1(n2cccc2)CCCCCC1 ZINC000409438635 350137414 /nfs/dbraw/zinc/13/74/14/350137414.db2.gz DIOFIBZWTGOORL-UHFFFAOYSA-N 0 1 221.304 2.494 10 0 BEAEMN COC(=O)CC(=O)C(C(C)C)C(C)C ZINC000725256895 538059325 /nfs/dbraw/zinc/05/93/25/538059325.db2.gz AXVDQNXWHOLXEN-UHFFFAOYSA-N 0 1 200.278 2.047 10 0 BEAEMN Cc1ncc(CN2CCS[C@@H](C)C2)s1 ZINC000171688164 180144031 /nfs/dbraw/zinc/14/40/31/180144031.db2.gz IVBNANXHSNHONH-QMMMGPOBSA-N 0 1 228.386 2.389 10 0 BEAEMN Cc1ncc(CNC2=N[C@H](C)CS2)s1 ZINC000049534277 180149775 /nfs/dbraw/zinc/14/97/75/180149775.db2.gz QSXJPHDZDMLPCF-ZCFIWIBFSA-N 0 1 227.358 2.032 10 0 BEAEMN CCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])nc1 ZINC000003755764 350189022 /nfs/dbraw/zinc/18/90/22/350189022.db2.gz WKKMTODSWSIUKR-ZDUSSCGKSA-N 0 1 248.326 2.083 10 0 BEAEMN CCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])nc1 ZINC000003755764 350189024 /nfs/dbraw/zinc/18/90/24/350189024.db2.gz WKKMTODSWSIUKR-ZDUSSCGKSA-N 0 1 248.326 2.083 10 0 BEAEMN Cc1nccc(CNCCOC2CCCCC2)n1 ZINC000111636449 180190147 /nfs/dbraw/zinc/19/01/47/180190147.db2.gz QRDINZKCPLIPDM-UHFFFAOYSA-N 0 1 249.358 2.224 10 0 BEAEMN CC(C)Cn1[nH]c(-c2ccnn2C)cc1=S ZINC000725257933 538069473 /nfs/dbraw/zinc/06/94/73/538069473.db2.gz ZYPYHRKKYMFOPZ-UHFFFAOYSA-N 0 1 236.344 2.228 10 0 BEAEMN Cc1[nH+]ccn1[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062757476 180271652 /nfs/dbraw/zinc/27/16/52/180271652.db2.gz SWLTVLIMJJTEJN-GHMZBOCLSA-N 0 1 222.288 2.398 10 0 BEAEMN CC(C)(C)OC(=O)N1CCCc2nc[nH]c2C1 ZINC000725262050 538087834 /nfs/dbraw/zinc/08/78/34/538087834.db2.gz TVBDVMHNAVBIOB-UHFFFAOYSA-N 0 1 237.303 2.093 10 0 BEAEMN Cc1[nH+]ccn1[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062757477 180272026 /nfs/dbraw/zinc/27/20/26/180272026.db2.gz SWLTVLIMJJTEJN-MNOVXSKESA-N 0 1 222.288 2.398 10 0 BEAEMN Cc1[nH+]cn(-c2ccccc2C(=O)[O-])c1C ZINC000051926227 180285200 /nfs/dbraw/zinc/28/52/00/180285200.db2.gz FDYWDBKFPFHMQK-UHFFFAOYSA-N 0 1 216.240 2.187 10 0 BEAEMN COC(=O)c1nc(C)[nH]c1-c1ccc(F)cc1 ZINC000040435069 350363243 /nfs/dbraw/zinc/36/32/43/350363243.db2.gz RBXSJUXOXCHVHV-UHFFFAOYSA-N 0 1 234.230 2.311 10 0 BEAEMN Cc1ncsc1[C@@H](C)NCc1cn[nH]c1 ZINC000038006401 180326635 /nfs/dbraw/zinc/32/66/35/180326635.db2.gz ODZZQLGJXJWDMT-SSDOTTSWSA-N 0 1 222.317 2.025 10 0 BEAEMN CC(C)(C)c1cc(=O)n(C[C@@H]2CCCO2)[nH]1 ZINC000409441658 350482184 /nfs/dbraw/zinc/48/21/84/350482184.db2.gz ZFQNVNXOMKZQRA-VIFPVBQESA-N 0 1 224.304 2.065 10 0 BEAEMN CCc1nc2c(cncc2Br)[nH]1 ZINC000213650410 538096872 /nfs/dbraw/zinc/09/68/72/538096872.db2.gz JVGDEXXUKBPODR-UHFFFAOYSA-N 0 1 226.077 2.283 10 0 BEAEMN CCc1nc2c[nH]cc(Br)c-2n1 ZINC000213650410 538096878 /nfs/dbraw/zinc/09/68/78/538096878.db2.gz JVGDEXXUKBPODR-UHFFFAOYSA-N 0 1 226.077 2.283 10 0 BEAEMN CC[N@H+]1CCOCC[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000616598391 350665563 /nfs/dbraw/zinc/66/55/63/350665563.db2.gz QFYGBOQXAIIRGP-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)(C)N1CCCOC[C@@H]1c1cccnn1 ZINC000616599565 350751987 /nfs/dbraw/zinc/75/19/87/350751987.db2.gz LSBJGBZHUMZPJI-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN C[C@H]1C[C@H]1Nc1c(N)cncc1Br ZINC000235592651 350720255 /nfs/dbraw/zinc/72/02/55/350720255.db2.gz FWIMBYKGIWHDFY-YLWLKBPMSA-N 0 1 242.120 2.247 10 0 BEAEMN CC(C)(C)N1CCOC[C@H]1c1ccccc1CO ZINC000616601946 350790248 /nfs/dbraw/zinc/79/02/48/350790248.db2.gz QLNWBBRETRASLF-AWEZNQCLSA-N 0 1 249.354 2.351 10 0 BEAEMN COc1nc([C@@H]2CCCCCN2)cs1 ZINC000306701955 350851297 /nfs/dbraw/zinc/85/12/97/350851297.db2.gz HHLIOLCZIRFGAX-QMMMGPOBSA-N 0 1 212.318 2.356 10 0 BEAEMN CC1=NC(=S)N(C[C@H]2CCSC2)C1 ZINC000228599559 350827086 /nfs/dbraw/zinc/82/70/86/350827086.db2.gz LQFPEVXPAXLINJ-MRVPVSSYSA-N 0 1 214.359 2.233 10 0 BEAEMN CC1(C)CC[C@@H]1[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000306733221 350903441 /nfs/dbraw/zinc/90/34/41/350903441.db2.gz SRMGQRXFWSSQCG-ZJUUUORDSA-N 0 1 211.305 2.114 10 0 BEAEMN CC[S@@](=O)Nc1cccc(Cl)c1O ZINC000306776268 351017639 /nfs/dbraw/zinc/01/76/39/351017639.db2.gz YJWRSIPUIGAXHC-CYBMUJFWSA-N 0 1 219.693 2.141 10 0 BEAEMN CC(C)N1CCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616644532 351161572 /nfs/dbraw/zinc/16/15/72/351161572.db2.gz DZYUHVUJGDSCAM-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CC(C)[N@@H+]1CCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616645237 351167946 /nfs/dbraw/zinc/16/79/46/351167946.db2.gz AECBRYAFMQCNCT-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)[N@H+]1CCO[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616645237 351167952 /nfs/dbraw/zinc/16/79/52/351167952.db2.gz AECBRYAFMQCNCT-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)N1CCO[C@H](c2cccc(CCO)c2)C1 ZINC000616645567 351168864 /nfs/dbraw/zinc/16/88/64/351168864.db2.gz DZYUHVUJGDSCAM-HNNXBMFYSA-N 0 1 249.354 2.003 10 0 BEAEMN CC(C)(C)N1CCO[C@H](c2ccc(CO)cc2)C1 ZINC000616648084 351175603 /nfs/dbraw/zinc/17/56/03/351175603.db2.gz OJLGAFVBMAFRJL-AWEZNQCLSA-N 0 1 249.354 2.351 10 0 BEAEMN CC(C)N1CCO[C@H](c2ccc(N)cc2)C1 ZINC000616649688 351180191 /nfs/dbraw/zinc/18/01/91/351180191.db2.gz ZMPZGAKWWURJOM-ZDUSSCGKSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H](N)C(=O)c1cscc1Br ZINC000167987263 351181771 /nfs/dbraw/zinc/18/17/71/351181771.db2.gz OLPNIOCORYZUDA-SCSAIBSYSA-N 0 1 234.118 2.041 10 0 BEAEMN CN1CCc2ccccc2[C@@H]1c1cccnc1N ZINC000616677342 351243928 /nfs/dbraw/zinc/24/39/28/351243928.db2.gz KXCAVQHYGHQNGQ-CQSZACIVSA-N 0 1 239.322 2.241 10 0 BEAEMN C[N@H+]1CCc2ccccc2[C@H]1c1ccncn1 ZINC000616679838 351245843 /nfs/dbraw/zinc/24/58/43/351245843.db2.gz QGGGVKWNUHUANK-AWEZNQCLSA-N 0 1 225.295 2.054 10 0 BEAEMN CN1CCc2ccccc2[C@H]1c1ccncn1 ZINC000616679838 351245846 /nfs/dbraw/zinc/24/58/46/351245846.db2.gz QGGGVKWNUHUANK-AWEZNQCLSA-N 0 1 225.295 2.054 10 0 BEAEMN CC[N@H+]1CCc2ccccc2[C@@H]1c1ccncn1 ZINC000616678286 351246152 /nfs/dbraw/zinc/24/61/52/351246152.db2.gz FTMXVTRVDBOGCJ-OAHLLOKOSA-N 0 1 239.322 2.444 10 0 BEAEMN CCN1CCc2ccccc2[C@@H]1c1ccncn1 ZINC000616678286 351246154 /nfs/dbraw/zinc/24/61/54/351246154.db2.gz FTMXVTRVDBOGCJ-OAHLLOKOSA-N 0 1 239.322 2.444 10 0 BEAEMN CC(C)(C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000616686930 351257810 /nfs/dbraw/zinc/25/78/10/351257810.db2.gz LSAKEWATFRZHDZ-QMMMGPOBSA-N 0 1 207.264 2.141 10 0 BEAEMN CC(C)[N@H+]1CCOCC[C@H]1c1ccccn1 ZINC000616655853 351201548 /nfs/dbraw/zinc/20/15/48/351201548.db2.gz FZYWDWBYAYWJDE-ZDUSSCGKSA-N 0 1 220.316 2.253 10 0 BEAEMN CCN1CCOC[C@@H](c2ccccc2F)C1 ZINC000616661304 351209647 /nfs/dbraw/zinc/20/96/47/351209647.db2.gz PDFWKYWDLONLEA-NSHDSACASA-N 0 1 223.291 2.261 10 0 BEAEMN C[N@@H+](/C=C/C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000306938766 351360155 /nfs/dbraw/zinc/36/01/55/351360155.db2.gz JYSOTIXEFCNVEC-WPTKRNLMSA-N 0 1 209.289 2.095 10 0 BEAEMN Cc1nsc([C@@]2(N)CCCC[C@H]2C)n1 ZINC000307252610 351770978 /nfs/dbraw/zinc/77/09/78/351770978.db2.gz SPJZSPVPSGKDNQ-GMSGAONNSA-N 0 1 211.334 2.211 10 0 BEAEMN Cc1nsc([C@@]2(N)CCCC[C@@H]2C)n1 ZINC000307252611 351771264 /nfs/dbraw/zinc/77/12/64/351771264.db2.gz SPJZSPVPSGKDNQ-OIBJUYFYSA-N 0 1 211.334 2.211 10 0 BEAEMN CN(Cc1ccnc(Cl)n1)[C@@H]1CCSC1 ZINC000307374759 352472902 /nfs/dbraw/zinc/47/29/02/352472902.db2.gz TXMJQZCZITVMKB-SECBINFHSA-N 0 1 243.763 2.067 10 0 BEAEMN O=C(N[C@H]1C=CCCC1)C(F)(F)Cl ZINC000307415711 352588807 /nfs/dbraw/zinc/58/88/07/352588807.db2.gz VDYDNMZJELCMOH-LURJTMIESA-N 0 1 209.623 2.043 10 0 BEAEMN C[C@@H](NC1=NCCCS1)C(C)(F)F ZINC000307594161 352664747 /nfs/dbraw/zinc/66/47/47/352664747.db2.gz JWNLNPQBEJWISW-ZCFIWIBFSA-N 0 1 208.277 2.113 10 0 BEAEMN C[C@H]1NCCC[C@@]1(F)c1ccns1 ZINC000307606877 352668591 /nfs/dbraw/zinc/66/85/91/352668591.db2.gz BUCNUQHUYCGTSE-APPZFPTMSA-N 0 1 200.282 2.080 10 0 BEAEMN O=C(c1c(O)cccc1F)N1C[C@@H]2CCC[C@H]21 ZINC000334285928 352925254 /nfs/dbraw/zinc/92/52/54/352925254.db2.gz KMDOWSHFUKHCJT-WCBMZHEXSA-N 0 1 235.258 2.156 10 0 BEAEMN CC(C)(N)c1noc(-c2cccc(F)c2)n1 ZINC000041052854 187945917 /nfs/dbraw/zinc/94/59/17/187945917.db2.gz SBJDNZONPNMMBE-UHFFFAOYSA-N 0 1 221.235 2.070 10 0 BEAEMN N=C1N[C@H](c2cc(Cl)sc2Cl)CO1 ZINC000306215279 352995625 /nfs/dbraw/zinc/99/56/25/352995625.db2.gz INMZCYRFZFUYRO-BYPYZUCNSA-N 0 1 237.111 2.441 10 0 BEAEMN CC(C)C[C@H](N)C(=O)Cc1ccccc1 ZINC000082379438 187947479 /nfs/dbraw/zinc/94/74/79/187947479.db2.gz SIGNIPUKMBDIBA-LBPRGKRZSA-N 0 1 205.301 2.172 10 0 BEAEMN CC(=O)Nc1ccc2nc(C)sc2c1O ZINC000045237394 187951730 /nfs/dbraw/zinc/95/17/30/187951730.db2.gz VVYDBGMEZIYKIM-UHFFFAOYSA-N 0 1 222.269 2.269 10 0 BEAEMN CN1CCc2cccc3c2[C@H]1CCC3=O ZINC000143120485 353156044 /nfs/dbraw/zinc/15/60/44/353156044.db2.gz NJJFNNCHDSQZLW-LLVKDONJSA-N 0 1 201.269 2.192 10 0 BEAEMN Clc1cnc(CNCC[C@@H]2CCCO2)s1 ZINC000225310156 538111879 /nfs/dbraw/zinc/11/18/79/538111879.db2.gz RGVOEQKWVNLSFU-QMMMGPOBSA-N 0 1 246.763 2.455 10 0 BEAEMN Cc1cc(N)cnc1NCc1ccco1 ZINC000036241416 188278890 /nfs/dbraw/zinc/27/88/90/188278890.db2.gz OIRAZHUNOGMVFO-UHFFFAOYSA-N 0 1 203.245 2.177 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@@H+](Cc1ccco1)C1CC1 ZINC000042693088 188294645 /nfs/dbraw/zinc/29/46/45/188294645.db2.gz WPAQOWHTYAMAKG-GFCCVEGCSA-N 0 1 237.299 2.353 10 0 BEAEMN CC(C)(N)c1ncc(Br)s1 ZINC000082364847 188313169 /nfs/dbraw/zinc/31/31/69/188313169.db2.gz NTIOBQNYPPUIID-UHFFFAOYSA-N 0 1 221.123 2.099 10 0 BEAEMN CC1CC([N@H+]2CCCCC[C@H]2C(=O)[O-])C1 ZINC000232815149 353582417 /nfs/dbraw/zinc/58/24/17/353582417.db2.gz QMMPHRWDTTVKEE-ILDUYXDCSA-N 0 1 211.305 2.114 10 0 BEAEMN Fc1cccc(Cl)c1[C@H]1CNCO1 ZINC000071508322 181000731 /nfs/dbraw/zinc/00/07/31/181000731.db2.gz MEPKTUKJOXNFKO-MRVPVSSYSA-N 0 1 201.628 2.098 10 0 BEAEMN COCCCCN[C@H](C)c1ncc(C)o1 ZINC000230643756 363315861 /nfs/dbraw/zinc/31/58/61/363315861.db2.gz WYROMTGHUYMCDR-SNVBAGLBSA-N 0 1 212.293 2.060 10 0 BEAEMN CCOc1ccccc1CN[C@H]1CC[N@H+](CC)C1 ZINC000389194671 355835476 /nfs/dbraw/zinc/83/54/76/355835476.db2.gz WRWGZKXXSMNWKH-AWEZNQCLSA-N 0 1 248.370 2.269 10 0 BEAEMN C[C@H]1CO[C@H](c2ccc(Cl)s2)CN1 ZINC000035286470 356475077 /nfs/dbraw/zinc/47/50/77/356475077.db2.gz PQHXSCSSYWJBPU-BQBZGAKWSA-N 0 1 217.721 2.451 10 0 BEAEMN C[C@@H]1CN(CC2CC(F)(F)C2)C[C@@H](C)O1 ZINC000336196819 134126720 /nfs/dbraw/zinc/12/67/20/134126720.db2.gz ZXQUDBWCRZUSFU-RKDXNWHRSA-N 0 1 219.275 2.141 10 0 BEAEMN CCCCOc1cnc(-c2ccccn2)[nH]c1=O ZINC000675073252 538505218 /nfs/dbraw/zinc/50/52/18/538505218.db2.gz VEXWDUQTIILMRE-UHFFFAOYSA-N 0 1 245.282 2.423 10 0 BEAEMN CCCCNCc1c(OC)nsc1OC ZINC000675075752 538510333 /nfs/dbraw/zinc/51/03/33/538510333.db2.gz UYSMOWKUWSJILV-UHFFFAOYSA-N 0 1 230.333 2.050 10 0 BEAEMN C[C@H](NCC1(CCO)CCC1)c1cscn1 ZINC000130989632 325105812 /nfs/dbraw/zinc/10/58/12/325105812.db2.gz KZBYQTFUKCTNRT-JTQLQIEISA-N 0 1 240.372 2.346 10 0 BEAEMN Cc1cccc(CNCc2ccnc(C)c2)n1 ZINC000391189055 357126458 /nfs/dbraw/zinc/12/64/58/357126458.db2.gz URKDRMHQYUTCGG-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN CC(C)(N)C(=O)c1cscc1Br ZINC000168678830 357194193 /nfs/dbraw/zinc/19/41/93/357194193.db2.gz NQHJHVFLLWGTSI-UHFFFAOYSA-N 0 1 248.145 2.431 10 0 BEAEMN Cc1ncccc1CN1CCS[C@@H](C)C1 ZINC000131412490 325146465 /nfs/dbraw/zinc/14/64/65/325146465.db2.gz NJFYTQBGEXKLSN-JTQLQIEISA-N 0 1 222.357 2.327 10 0 BEAEMN C[C@H]1C[N@@H+](C[C@H](O)C2CCCCC2)CCS1 ZINC000190515574 357714159 /nfs/dbraw/zinc/71/41/59/357714159.db2.gz YMTPEICVMZBCRA-AAEUAGOBSA-N 0 1 243.416 2.365 10 0 BEAEMN CCn1cc([C@@H]2CN(C3CCCC3)CCO2)cn1 ZINC000190740279 357729743 /nfs/dbraw/zinc/72/97/43/357729743.db2.gz ZWZHSPBGXYFXCS-AWEZNQCLSA-N 0 1 249.358 2.219 10 0 BEAEMN Nc1[nH]nc2sc3c(c12)-c1ccccc1C3=O ZINC000584630876 358301759 /nfs/dbraw/zinc/30/17/59/358301759.db2.gz CILBXBXWPDADDQ-UHFFFAOYSA-N 0 1 241.275 2.418 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1nccn1CC ZINC000231673885 358418804 /nfs/dbraw/zinc/41/88/04/358418804.db2.gz JJUVRVZHEGNNGO-GHMZBOCLSA-N 0 1 207.321 2.181 10 0 BEAEMN Cc1nc([C@@H](C)NCC2(CCO)CC2)cs1 ZINC000133149746 358747169 /nfs/dbraw/zinc/74/71/69/358747169.db2.gz GAKRTPQBCLVGTM-SECBINFHSA-N 0 1 240.372 2.265 10 0 BEAEMN COc1cc(C)nc(CNCCC(F)(F)F)c1 ZINC000214123467 358759541 /nfs/dbraw/zinc/75/95/41/358759541.db2.gz YGPSWMMNAWEPNX-UHFFFAOYSA-N 0 1 248.248 2.441 10 0 BEAEMN CCCN(CCC)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132312920 358718523 /nfs/dbraw/zinc/71/85/23/358718523.db2.gz AAWFAMRFQYQWNZ-NSHDSACASA-N 0 1 249.358 2.478 10 0 BEAEMN COc1cccc(F)c1[C@@H](C)N[C@H]1CCOC1 ZINC000135148533 358822254 /nfs/dbraw/zinc/82/22/54/358822254.db2.gz HEUNTEZMGIVPCE-ZJUUUORDSA-N 0 1 239.290 2.274 10 0 BEAEMN CC[C@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134247705 358785047 /nfs/dbraw/zinc/78/50/47/358785047.db2.gz SIZUSJXBQALHPY-UWVGGRQHSA-N 0 1 235.331 2.087 10 0 BEAEMN COC1([C@@H](N)c2cc(C)ns2)CCC1 ZINC000306157963 358953369 /nfs/dbraw/zinc/95/33/69/358953369.db2.gz CVEWIJOQGIBTAY-VIFPVBQESA-N 0 1 212.318 2.020 10 0 BEAEMN CC(C)CCNc1nncc(N)c1Cl ZINC000306248854 359445892 /nfs/dbraw/zinc/44/58/92/359445892.db2.gz QOFHNGPZEQPZIF-UHFFFAOYSA-N 0 1 214.700 2.170 10 0 BEAEMN C[C@H]1C[C@@](O)(c2ccsc2Cl)CN1C ZINC000306322764 359607143 /nfs/dbraw/zinc/60/71/43/359607143.db2.gz URDFQSJZHFXOLW-XVKPBYJWSA-N 0 1 231.748 2.313 10 0 BEAEMN CC(C)(N)C(=O)c1cc(F)c(F)cc1F ZINC000306409507 359798404 /nfs/dbraw/zinc/79/84/04/359798404.db2.gz MNWMLWNMWILKGO-UHFFFAOYSA-N 0 1 217.190 2.024 10 0 BEAEMN C[C@@H]1CN(Cc2ccnc(Cl)n2)C[C@H]1C ZINC000306518788 360345613 /nfs/dbraw/zinc/34/56/13/360345613.db2.gz HNARMNRUJFLIMS-RKDXNWHRSA-N 0 1 225.723 2.218 10 0 BEAEMN Cc1nc(NCCC(F)F)ccc1N ZINC000306565251 360444986 /nfs/dbraw/zinc/44/49/86/360444986.db2.gz QZZRMZSIVHXENQ-UHFFFAOYSA-N 0 1 201.220 2.039 10 0 BEAEMN C[C@H]1C[C@H]1c1nc(C(F)F)c(CN)o1 ZINC000306566045 360445304 /nfs/dbraw/zinc/44/53/04/360445304.db2.gz FUWIALVXIWKNGV-CRCLSJGQSA-N 0 1 202.204 2.194 10 0 BEAEMN CCN1C[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000309426254 491149079 /nfs/dbraw/zinc/14/90/79/491149079.db2.gz FHRHNPWWNVNHDG-ONGXEEELSA-N 0 1 242.750 2.363 10 0 BEAEMN Cc1nc(-c2ccc(Cl)o2)oc1CN ZINC000306581447 360478481 /nfs/dbraw/zinc/47/84/81/360478481.db2.gz OPNKDYGHWCJSLG-UHFFFAOYSA-N 0 1 212.636 2.355 10 0 BEAEMN CCn1ccnc1N[C@@H]1CSC[C@H]1C ZINC000306582248 360481216 /nfs/dbraw/zinc/48/12/16/360481216.db2.gz PAQOJZBHWIGBSW-RKDXNWHRSA-N 0 1 211.334 2.066 10 0 BEAEMN CC[C@H]1CN(CC2=CCCC2)CCC1=O ZINC000306594040 360513112 /nfs/dbraw/zinc/51/31/12/360513112.db2.gz XHBRPFSQBCPMCP-LBPRGKRZSA-N 0 1 207.317 2.398 10 0 BEAEMN N[C@@H](CF)c1cc(O)ccc1Br ZINC000238573345 361155700 /nfs/dbraw/zinc/15/57/00/361155700.db2.gz GDRUDTGQQFSTEH-QMMMGPOBSA-N 0 1 234.068 2.124 10 0 BEAEMN NC1(C(=O)c2ccccc2F)CCCC1 ZINC000071510261 181330665 /nfs/dbraw/zinc/33/06/65/181330665.db2.gz XPJRDUJFVPRWLJ-UHFFFAOYSA-N 0 1 207.248 2.280 10 0 BEAEMN NC1(C(=O)OCc2cccs2)CCCCC1 ZINC000049584665 181330700 /nfs/dbraw/zinc/33/07/00/181330700.db2.gz ZCNFDMCVBOZQFC-UHFFFAOYSA-N 0 1 239.340 2.453 10 0 BEAEMN COC(=O)CCN[C@H](C)c1cc(F)ccc1F ZINC000036891732 361578765 /nfs/dbraw/zinc/57/87/65/361578765.db2.gz YIWPFTXECYTINZ-MRVPVSSYSA-N 0 1 243.253 2.179 10 0 BEAEMN Cc1nc(C)c([C@H]2NC[C@@H](C)S2)s1 ZINC000306637892 361585280 /nfs/dbraw/zinc/58/52/80/361585280.db2.gz MQRGHSJUQWQQRV-ANLVUFKYSA-N 0 1 214.359 2.483 10 0 BEAEMN CSc1ccc(CNCc2cn[nH]c2)cc1 ZINC000038006055 361661786 /nfs/dbraw/zinc/66/17/86/361661786.db2.gz KBSDIZMGLSMZDP-UHFFFAOYSA-N 0 1 233.340 2.421 10 0 BEAEMN C[C@@H]1CCCN(Cc2ccc(C=O)o2)C1 ZINC000161262809 363866111 /nfs/dbraw/zinc/86/61/11/363866111.db2.gz HCZZXPYAZYNLEY-SNVBAGLBSA-N 0 1 207.273 2.324 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@@H](C)[C@@H]1C ZINC000172859940 365384740 /nfs/dbraw/zinc/38/47/40/365384740.db2.gz LOPFPMXYHWTZJZ-MNOVXSKESA-N 0 1 236.363 2.227 10 0 BEAEMN CCc1cn2c(n1)NCC[C@@H]2C(F)F ZINC000234177709 541512333 /nfs/dbraw/zinc/51/23/33/541512333.db2.gz GBFUPXPHXFYMAN-SSDOTTSWSA-N 0 1 201.220 2.067 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000195008947 367331489 /nfs/dbraw/zinc/33/14/89/367331489.db2.gz SWDKACFNDKUPDY-QWRGUYRKSA-N 0 1 236.363 2.084 10 0 BEAEMN Cc1noc([C@H](C)N[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185577 367494674 /nfs/dbraw/zinc/49/46/74/367494674.db2.gz BPLVOZODKDPKHV-BBHBSTQDSA-N 0 1 221.304 2.217 10 0 BEAEMN C[C@H]1CCCCC[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386916968 368035441 /nfs/dbraw/zinc/03/54/41/368035441.db2.gz CZGHHXATYJQTFY-VIFPVBQESA-N 0 1 238.287 2.137 10 0 BEAEMN C[C@@H]1SCCN([C@H]2CCCCC2=O)[C@H]1C ZINC000253069228 368444021 /nfs/dbraw/zinc/44/40/21/368444021.db2.gz LLLIYYDNPXRMSY-DCAQKATOSA-N 0 1 227.373 2.324 10 0 BEAEMN O=C([O-])[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090978021 369002566 /nfs/dbraw/zinc/00/25/66/369002566.db2.gz BCBGCUBNNDPJAV-STQMWFEESA-N 0 1 245.322 2.123 10 0 BEAEMN NC1(C(=O)c2ccc(Cl)s2)CCC1 ZINC000226778440 371739278 /nfs/dbraw/zinc/73/92/78/371739278.db2.gz YEAUDDOWKFEBPO-UHFFFAOYSA-N 0 1 215.705 2.466 10 0 BEAEMN CC[C@](C)(N)C(=O)c1ccc(F)c(C)c1 ZINC000226664360 371719576 /nfs/dbraw/zinc/71/95/76/371719576.db2.gz YRCJVDRQHLNLRS-LBPRGKRZSA-N 0 1 209.264 2.444 10 0 BEAEMN NC1(C(=O)c2cc(F)cc(F)c2)CCC1 ZINC000226780735 371743462 /nfs/dbraw/zinc/74/34/62/371743462.db2.gz DTUZNTJLJLMNQC-UHFFFAOYSA-N 0 1 211.211 2.029 10 0 BEAEMN N[C@H](Cc1sccc1Cl)c1ncc[nH]1 ZINC000306676549 372054432 /nfs/dbraw/zinc/05/44/32/372054432.db2.gz WKGLXSOPFQXEFP-SSDOTTSWSA-N 0 1 227.720 2.367 10 0 BEAEMN O=C1COc2c1c(Br)cc(F)c2F ZINC000228798351 372081935 /nfs/dbraw/zinc/08/19/35/372081935.db2.gz NXWIEIIXEFEGBD-UHFFFAOYSA-N 0 1 249.010 2.302 10 0 BEAEMN Cc1ccc(C(=O)[O-])c(NC2(C)CC2)[nH+]1 ZINC000228921821 372087473 /nfs/dbraw/zinc/08/74/73/372087473.db2.gz BHCUDNQDIZBWHO-UHFFFAOYSA-N 0 1 206.245 2.053 10 0 BEAEMN CSC1(c2ncn(C(C)C)c2N)CC1 ZINC000307226106 372099548 /nfs/dbraw/zinc/09/95/48/372099548.db2.gz AGSTZUJYQXLPGD-UHFFFAOYSA-N 0 1 211.334 2.398 10 0 BEAEMN OCc1cnccc1Nc1ccccc1 ZINC000142771764 373970548 /nfs/dbraw/zinc/97/05/48/373970548.db2.gz AFSLMBSXVPMKSX-UHFFFAOYSA-N 0 1 200.241 2.318 10 0 BEAEMN C[N@@H+](C1CCCC1)C1(C(=O)[O-])CCCC1 ZINC000041857839 374193680 /nfs/dbraw/zinc/19/36/80/374193680.db2.gz HSZZUFCPGRYICD-UHFFFAOYSA-N 0 1 211.305 2.258 10 0 BEAEMN O=C(N[C@H]1CCc2ccccc21)C(F)(F)F ZINC000034307538 182340560 /nfs/dbraw/zinc/34/05/60/182340560.db2.gz YUPHAYFQAVLCRV-VIFPVBQESA-N 0 1 229.201 2.352 10 0 BEAEMN OC1(C2CC2)CN(CCCCc2ccccc2)C1 ZINC000122305168 183015718 /nfs/dbraw/zinc/01/57/18/183015718.db2.gz HOUUTPKINBTXJG-UHFFFAOYSA-N 0 1 245.366 2.466 10 0 BEAEMN OCCCCCCc1cccc2cncn21 ZINC000029409922 183045798 /nfs/dbraw/zinc/04/57/98/183045798.db2.gz IQOREJDFIZLDQJ-UHFFFAOYSA-N 0 1 218.300 2.430 10 0 BEAEMN OCC1(NCc2cc(Cl)ccc2F)CC1 ZINC000120359373 183038432 /nfs/dbraw/zinc/03/84/32/183038432.db2.gz NTEWUEFLCNFSGO-UHFFFAOYSA-N 0 1 229.682 2.094 10 0 BEAEMN CCCCc1ccc(-n2nnnc2[C@H](C)N)cc1 ZINC000062493951 169019319 /nfs/dbraw/zinc/01/93/19/169019319.db2.gz CHYZQBNEGVGWCP-JTQLQIEISA-N 0 1 245.330 2.025 10 0 BEAEMN O[C@@H]1/C(=C\c2ccsc2)N2CCC1CC2 ZINC000033477353 183186618 /nfs/dbraw/zinc/18/66/18/183186618.db2.gz HNBVTNPDDZRELH-VNKGSWCUSA-N 0 1 221.325 2.176 10 0 BEAEMN O[C@H](CN1CCCCC1)c1cc(F)cc(F)c1 ZINC000070459496 183220741 /nfs/dbraw/zinc/22/07/41/183220741.db2.gz PNGPREBFAVWHQX-CYBMUJFWSA-N 0 1 241.281 2.484 10 0 BEAEMN O=c1[nH]c(=S)[nH]nc1-c1ccc(F)cc1 ZINC000026443557 183252985 /nfs/dbraw/zinc/25/29/85/183252985.db2.gz UHTUFZASMFUGCN-UHFFFAOYSA-N 0 1 223.232 2.046 10 0 BEAEMN CCCN[C@H](C)c1nnc([C@H]2CCCCO2)o1 ZINC000050973908 169288331 /nfs/dbraw/zinc/28/83/31/169288331.db2.gz QTRPEQHLOUIYBM-NXEZZACHSA-N 0 1 239.319 2.372 10 0 BEAEMN CCCN[C@H](C)c1nnc(-c2ccncc2)o1 ZINC000050619446 169288450 /nfs/dbraw/zinc/28/84/50/169288450.db2.gz SUJXUIYEJQKLFB-SECBINFHSA-N 0 1 232.287 2.192 10 0 BEAEMN CCC[C@@H](C(=O)Nc1cc(C)ccn1)N(C)C ZINC000156831521 169346144 /nfs/dbraw/zinc/34/61/44/169346144.db2.gz WFSOHRHPUFHMMR-NSHDSACASA-N 0 1 235.331 2.059 10 0 BEAEMN CCC[C@@H](C)CC[C@]1(C)OC(=O)NC1=O ZINC000005837889 169358105 /nfs/dbraw/zinc/35/81/05/169358105.db2.gz WTMATTBWCQWUPJ-KCJUWKMLSA-N 0 1 213.277 2.228 10 0 BEAEMN CCC[C@@H](N)c1noc([C@H]2CCCCO2)n1 ZINC000050973537 169395409 /nfs/dbraw/zinc/39/54/09/169395409.db2.gz LZRXHMKQXWZAHI-RKDXNWHRSA-N 0 1 225.292 2.111 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1C[C@@H]1CCC(C)(C)O1 ZINC000184658930 134367631 /nfs/dbraw/zinc/36/76/31/134367631.db2.gz HRIPHRHZZHSHTA-UTUOFQBUSA-N 0 1 227.348 2.053 10 0 BEAEMN C[C@@H](NCc1ncccc1Cl)[C@@H]1CCCO1 ZINC000528441777 383882987 /nfs/dbraw/zinc/88/29/87/383882987.db2.gz APGDGYAGNMFERC-SKDRFNHKSA-N 0 1 240.734 2.392 10 0 BEAEMN c1csc(-c2[nH]nc3ncccc32)n1 ZINC000089224585 383952808 /nfs/dbraw/zinc/95/28/08/383952808.db2.gz KOUSMNZQLQTNLG-UHFFFAOYSA-N 0 1 202.242 2.081 10 0 BEAEMN CCOc1ccccc1[C@H](C)NCc1c[nH]nn1 ZINC000296307610 384035917 /nfs/dbraw/zinc/03/59/17/384035917.db2.gz NEKGHYPUVCDBMP-JTQLQIEISA-N 0 1 246.314 2.054 10 0 BEAEMN CN[C@@H](C)c1nnc(-c2ccsc2)o1 ZINC000050618270 384110308 /nfs/dbraw/zinc/11/03/08/384110308.db2.gz JPLTVNLGUXCRDR-LURJTMIESA-N 0 1 209.274 2.079 10 0 BEAEMN O=Cc1nc2ccc(Br)cc2[nH]1 ZINC000040448820 384153976 /nfs/dbraw/zinc/15/39/76/384153976.db2.gz YILYMJBPLFCXEB-UHFFFAOYSA-N 0 1 225.045 2.138 10 0 BEAEMN CC(C)CCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132535017 384235688 /nfs/dbraw/zinc/23/56/88/384235688.db2.gz DLWDRCXRQQKMGV-NSHDSACASA-N 0 1 249.358 2.382 10 0 BEAEMN O=C1NCCN(C2CCCC2)[C@@H]1c1ccccc1 ZINC000120133841 384331318 /nfs/dbraw/zinc/33/13/18/384331318.db2.gz PYAFIASIUOIBHB-CQSZACIVSA-N 0 1 244.338 2.102 10 0 BEAEMN Cc1cnc([C@@H](C)NCCC[C@H]2CCOC2)o1 ZINC000400528563 384408433 /nfs/dbraw/zinc/40/84/33/384408433.db2.gz GSPWZYLKDNRJAA-NEPJUHHUSA-N 0 1 238.331 2.450 10 0 BEAEMN Cc1[nH]nc2cc(Br)cc(N)c12 ZINC000014986106 384411699 /nfs/dbraw/zinc/41/16/99/384411699.db2.gz XMAMFUFNVSKGRF-UHFFFAOYSA-N 0 1 226.077 2.216 10 0 BEAEMN O=C1CNc2c1cccc2C(F)(F)F ZINC000082382348 384675655 /nfs/dbraw/zinc/67/56/55/384675655.db2.gz JDPJCRIQNFDAEF-UHFFFAOYSA-N 0 1 201.147 2.314 10 0 BEAEMN Cc1ccc(CN(C)C[C@@H]2CCCO2)o1 ZINC000102671608 384720535 /nfs/dbraw/zinc/72/05/35/384720535.db2.gz TUEQGFBOXUKZRV-NSHDSACASA-N 0 1 209.289 2.199 10 0 BEAEMN Cn1cc([C@@H]2CCCN2Cc2ccccn2)cn1 ZINC000104959838 384853933 /nfs/dbraw/zinc/85/39/33/384853933.db2.gz UGEKIWSBSOGUGE-AWEZNQCLSA-N 0 1 242.326 2.152 10 0 BEAEMN C[C@@H](NCc1cncs1)c1ccncc1 ZINC000054770125 384854861 /nfs/dbraw/zinc/85/48/61/384854861.db2.gz AHUNGTDWQMEIPW-SECBINFHSA-N 0 1 219.313 2.389 10 0 BEAEMN CC(C)[C@H](O)CCN[C@H](C)c1cscn1 ZINC000127871901 384914734 /nfs/dbraw/zinc/91/47/34/384914734.db2.gz LYLQUUNWQQZZMP-MWLCHTKSSA-N 0 1 228.361 2.201 10 0 BEAEMN Clc1ccccc1[C@@H]1CN(C2CC2)CCN1 ZINC000056894780 384921758 /nfs/dbraw/zinc/92/17/58/384921758.db2.gz RHXAIMYXICXMJR-ZDUSSCGKSA-N 0 1 236.746 2.449 10 0 BEAEMN Cc1cncc(CN2CCS[C@@H](C)C2)c1 ZINC000189869621 385192161 /nfs/dbraw/zinc/19/21/61/385192161.db2.gz AYMSGJKCGRWLHG-NSHDSACASA-N 0 1 222.357 2.327 10 0 BEAEMN C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062751333 385259497 /nfs/dbraw/zinc/25/94/97/385259497.db2.gz RKPWSNFVXQVJNK-WDEREUQCSA-N 0 1 211.305 2.114 10 0 BEAEMN CCCCN(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000131837194 385365879 /nfs/dbraw/zinc/36/58/79/385365879.db2.gz KKVHKMWDWRMYGK-SNVBAGLBSA-N 0 1 235.331 2.088 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1c(Cl)cnn1C ZINC000131926139 385368858 /nfs/dbraw/zinc/36/88/58/385368858.db2.gz JVRGLZKJDGOSMQ-WPRPVWTQSA-N 0 1 227.739 2.352 10 0 BEAEMN CCN(CC)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106429668 385510849 /nfs/dbraw/zinc/51/08/49/385510849.db2.gz PNYDEBVYGBFHKK-AWEZNQCLSA-N 0 1 248.370 2.028 10 0 BEAEMN Cc1cnc([C@H](C)NCCCOC(C)C)o1 ZINC000309347124 385546538 /nfs/dbraw/zinc/54/65/38/385546538.db2.gz LZHSNEMIZNHMNQ-NSHDSACASA-N 0 1 226.320 2.449 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1cn(C(C)C)nn1 ZINC000309443334 385583732 /nfs/dbraw/zinc/58/37/32/385583732.db2.gz ZZTMXANBMZXFAP-PWSUYJOCSA-N 0 1 222.336 2.137 10 0 BEAEMN Cc1cnc([C@@H](C)NCC[C@H]2CCOC2)o1 ZINC000309504495 385641431 /nfs/dbraw/zinc/64/14/31/385641431.db2.gz VOBLDXDPGWCTPR-MNOVXSKESA-N 0 1 224.304 2.060 10 0 BEAEMN Cc1ccc([C@@H](C)NCc2cnc[nH]2)o1 ZINC000054764366 385657056 /nfs/dbraw/zinc/65/70/56/385657056.db2.gz BGZHEKDNHRRAEO-SECBINFHSA-N 0 1 205.261 2.162 10 0 BEAEMN CC(C)=CCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182677169 385695358 /nfs/dbraw/zinc/69/53/58/385695358.db2.gz SXBFQBRPDLSKMK-LLVKDONJSA-N 0 1 220.320 2.298 10 0 BEAEMN Cc1cnc([C@@H](C)NCCCCF)o1 ZINC000336701645 385766691 /nfs/dbraw/zinc/76/66/91/385766691.db2.gz YKCQRLRFUZIEBJ-SECBINFHSA-N 0 1 200.257 2.383 10 0 BEAEMN Cc1cc(C)c2ncc3c(=O)n(C)[nH]c3c2c1 ZINC000040174237 385778333 /nfs/dbraw/zinc/77/83/33/385778333.db2.gz JAYDXLOMIUKTIN-UHFFFAOYSA-N 0 1 227.267 2.032 10 0 BEAEMN C/C=C/[C@@H](N)c1nscc1Br ZINC000575544337 385964343 /nfs/dbraw/zinc/96/43/43/385964343.db2.gz DFRPNZMLBUWANP-YRFDSLTASA-N 0 1 233.134 2.482 10 0 BEAEMN Cc1ccc([C@H](C)N[C@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC000336742545 386200943 /nfs/dbraw/zinc/20/09/43/386200943.db2.gz OIXYXLXDKOOEFH-USWWRNFRSA-N 0 1 222.332 2.189 10 0 BEAEMN CC1(C)C[C@]1(C)c1o[nH]c(=N)c1Cl ZINC000575581929 386241351 /nfs/dbraw/zinc/24/13/51/386241351.db2.gz ALTKQGVXQODLGW-SECBINFHSA-N 0 1 200.669 2.428 10 0 BEAEMN Cc1c(CNc2ccc3c(n2)CCC3)cnn1C ZINC000226427284 386304161 /nfs/dbraw/zinc/30/41/61/386304161.db2.gz DJPUDDDDMQXVOW-UHFFFAOYSA-N 0 1 242.326 2.224 10 0 BEAEMN C[C@H]1CC[C@H](O)CN1Cc1ccc(F)c(F)c1 ZINC000399403194 386542200 /nfs/dbraw/zinc/54/22/00/386542200.db2.gz HGXAOXFMLWMDRY-ONGXEEELSA-N 0 1 241.281 2.310 10 0 BEAEMN C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)C(F)(F)F ZINC000335747227 386869182 /nfs/dbraw/zinc/86/91/82/386869182.db2.gz HQZASUICNCXOKG-RKDXNWHRSA-N 0 1 237.265 2.174 10 0 BEAEMN C[C@H]1CC2(CCC2)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000335747226 386870023 /nfs/dbraw/zinc/87/00/23/386870023.db2.gz HQZASUICNCXOKG-IUCAKERBSA-N 0 1 237.265 2.174 10 0 BEAEMN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)n[nH]1 ZINC000116211997 386928347 /nfs/dbraw/zinc/92/83/47/386928347.db2.gz WPAAPNCALZIONZ-LLVKDONJSA-N 0 1 245.282 2.288 10 0 BEAEMN C[C@](N)(c1cccs1)c1cncs1 ZINC000575578127 387042790 /nfs/dbraw/zinc/04/27/90/387042790.db2.gz SEBKLIBFPIWVHE-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN CC(=O)c1cc(C=O)c(OC(F)F)cc1O ZINC000575661113 387063460 /nfs/dbraw/zinc/06/34/60/387063460.db2.gz FKIWQSLRWUGBRW-UHFFFAOYSA-N 0 1 230.166 2.009 10 0 BEAEMN OC1CCN(CCC(F)(F)C(F)(F)F)CC1 ZINC000575411069 387012439 /nfs/dbraw/zinc/01/24/39/387012439.db2.gz XMFRDMXFUAPTMI-UHFFFAOYSA-N 0 1 247.207 2.031 10 0 BEAEMN C[C@@H](O)c1nc2cccc(Br)c2[nH]1 ZINC000057348338 387130838 /nfs/dbraw/zinc/13/08/38/387130838.db2.gz GYFRPZWIOVGASB-RXMQYKEDSA-N 0 1 241.088 2.379 10 0 BEAEMN Brc1scnc1[C@@H]1CCCN1 ZINC000575470241 387111216 /nfs/dbraw/zinc/11/12/16/387111216.db2.gz GJYQTXXYPDNAKH-YFKPBYRVSA-N 0 1 233.134 2.330 10 0 BEAEMN C[C@@H]1C[C@H](c2cccs2)C[C@@H](O)N1C ZINC000536949698 387160969 /nfs/dbraw/zinc/16/09/69/387160969.db2.gz DLPLKOFQAYXVOD-WCABBAIRSA-N 0 1 211.330 2.264 10 0 BEAEMN Cc1csc(-c2csc(CN)n2)n1 ZINC000575592005 387212466 /nfs/dbraw/zinc/21/24/66/387212466.db2.gz WEWBGTRREQYEQL-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN C[C@@H]1C[C@@H]1c1ccc(CNC2(CO)CC2)o1 ZINC000120374167 387233958 /nfs/dbraw/zinc/23/39/58/387233958.db2.gz QVVSAZXXUIDOPH-KOLCDFICSA-N 0 1 221.300 2.018 10 0 BEAEMN CCCn1cc(CN(CC)CCOCC)cn1 ZINC000120464463 387247504 /nfs/dbraw/zinc/24/75/04/387247504.db2.gz GXLUOTGRXHJQET-UHFFFAOYSA-N 0 1 239.363 2.152 10 0 BEAEMN COC(=O)c1ccccc1CN1C[C@H]2CCC[C@@H]21 ZINC000353897768 387291786 /nfs/dbraw/zinc/29/17/86/387291786.db2.gz JIZVZVURQVZJIK-OCCSQVGLSA-N 0 1 245.322 2.458 10 0 BEAEMN OCc1cc(O)c(Br)c(Cl)c1 ZINC000575674554 387342747 /nfs/dbraw/zinc/34/27/47/387342747.db2.gz BSRVKKJWXCPEQK-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)CC[C@@H]2C)n1 ZINC000121610695 387387292 /nfs/dbraw/zinc/38/72/92/387387292.db2.gz KJGXGCKBCDDXTL-MNOVXSKESA-N 0 1 249.358 2.365 10 0 BEAEMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)CC[C@@H]2C)n1 ZINC000121610695 387387297 /nfs/dbraw/zinc/38/72/97/387387297.db2.gz KJGXGCKBCDDXTL-MNOVXSKESA-N 0 1 249.358 2.365 10 0 BEAEMN CCc1cc(=O)[nH]c(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000121610695 387387302 /nfs/dbraw/zinc/38/73/02/387387302.db2.gz KJGXGCKBCDDXTL-MNOVXSKESA-N 0 1 249.358 2.365 10 0 BEAEMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)n1 ZINC000121610847 387388023 /nfs/dbraw/zinc/38/80/23/387388023.db2.gz KJGXGCKBCDDXTL-QWRGUYRKSA-N 0 1 249.358 2.365 10 0 BEAEMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)CC[C@@H]2C)n1 ZINC000121610847 387388028 /nfs/dbraw/zinc/38/80/28/387388028.db2.gz KJGXGCKBCDDXTL-QWRGUYRKSA-N 0 1 249.358 2.365 10 0 BEAEMN CCc1cc(=O)[nH]c(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000121610847 387388032 /nfs/dbraw/zinc/38/80/32/387388032.db2.gz KJGXGCKBCDDXTL-QWRGUYRKSA-N 0 1 249.358 2.365 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1CCN(C)c1ccccc1 ZINC000085822374 387504577 /nfs/dbraw/zinc/50/45/77/387504577.db2.gz MUDNRFIAIBATPH-OKILXGFUSA-N 0 1 248.370 2.232 10 0 BEAEMN CC(C)=CC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000303080161 387523612 /nfs/dbraw/zinc/52/36/12/387523612.db2.gz IJUDDGRDOHRQLV-CHWSQXEVSA-N 0 1 236.359 2.038 10 0 BEAEMN COc1ncnc2c1CN(CCC(C)(C)C)CC2 ZINC000112697411 387544303 /nfs/dbraw/zinc/54/43/03/387544303.db2.gz MIAOWOCWBQHXGT-UHFFFAOYSA-N 0 1 249.358 2.280 10 0 BEAEMN C/C=C/[C@@H](N)c1ncccc1Br ZINC000575564004 387706744 /nfs/dbraw/zinc/70/67/44/387706744.db2.gz ZATKCKJVZKRBLO-BYDTYLDUSA-N 0 1 227.105 2.420 10 0 BEAEMN C[C@@H](O)C(C)(C)NCc1csc(C2CC2)n1 ZINC000127132007 387707216 /nfs/dbraw/zinc/70/72/16/387707216.db2.gz NZJOYHPHFMGNKA-MRVPVSSYSA-N 0 1 240.372 2.270 10 0 BEAEMN COC(=O)c1nc2[nH]cc(F)cc-2c1Cl ZINC000575624601 387822031 /nfs/dbraw/zinc/82/20/31/387822031.db2.gz MDOBJWPUYJISPL-UHFFFAOYSA-N 0 1 228.610 2.142 10 0 BEAEMN Cc1cc(C)c(C=O)c(OCCN(C)C)c1 ZINC000040541789 388420359 /nfs/dbraw/zinc/42/03/59/388420359.db2.gz SZJFFACLDKMHQA-UHFFFAOYSA-N 0 1 221.300 2.056 10 0 BEAEMN NCc1cnc(-c2ccccc2Cl)o1 ZINC000041218132 388434053 /nfs/dbraw/zinc/43/40/53/388434053.db2.gz ATMPFKQBXOSEOH-UHFFFAOYSA-N 0 1 208.648 2.454 10 0 BEAEMN CCC[C@@H](C)C[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000245845487 388607735 /nfs/dbraw/zinc/60/77/35/388607735.db2.gz LANBPBHNSJPDPC-KGLIPLIRSA-N 0 1 242.407 2.075 10 0 BEAEMN Cc1[nH+]c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000076677118 388667878 /nfs/dbraw/zinc/66/78/78/388667878.db2.gz ZNQCCXJDUJNBCS-UHFFFAOYSA-N 0 1 230.267 2.246 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@H](C)[C@H]1C ZINC000246718977 388650619 /nfs/dbraw/zinc/65/06/19/388650619.db2.gz LOPFPMXYHWTZJZ-WDEREUQCSA-N 0 1 236.363 2.227 10 0 BEAEMN CC1(CNC(=O)c2ccc(F)cc2O)CCC1 ZINC000124051830 388660248 /nfs/dbraw/zinc/66/02/48/388660248.db2.gz LEXIIAWXLUVBJJ-UHFFFAOYSA-N 0 1 237.274 2.451 10 0 BEAEMN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)ncc1N ZINC000036250771 132341342 /nfs/dbraw/zinc/34/13/42/132341342.db2.gz CSFPBSALLCKZIN-UWVGGRQHSA-N 0 1 219.332 2.455 10 0 BEAEMN CSCCCN[C@@H](C)c1ncc(C)o1 ZINC000220943189 134314993 /nfs/dbraw/zinc/31/49/93/134314993.db2.gz NCTJSYLDBFTLOO-VIFPVBQESA-N 0 1 214.334 2.387 10 0 BEAEMN O=C(C1CCCC1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179341411 134320081 /nfs/dbraw/zinc/32/00/81/134320081.db2.gz XZFQEDAGMOGKEQ-LLVKDONJSA-N 0 1 248.330 2.049 10 0 BEAEMN OCC[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000227569833 134383302 /nfs/dbraw/zinc/38/33/02/134383302.db2.gz WFDFHJHNHAZEJF-LLVKDONJSA-N 0 1 246.310 2.032 10 0 BEAEMN C[C@@H](NCc1ccncc1)c1cncc(F)c1 ZINC000227772772 134393661 /nfs/dbraw/zinc/39/36/61/134393661.db2.gz PQLSXRBDSZKQBG-SNVBAGLBSA-N 0 1 231.274 2.467 10 0 BEAEMN Cc1nc(CN2CCC[C@H]2CCCO)cs1 ZINC000052762768 134712001 /nfs/dbraw/zinc/71/20/01/134712001.db2.gz UXWLAOLHPVLMBQ-LBPRGKRZSA-N 0 1 240.372 2.188 10 0 BEAEMN O=C(C[C@@H]1C=CCC1)N1CCN2CCCC[C@@H]2C1 ZINC000250123913 135049711 /nfs/dbraw/zinc/04/97/11/135049711.db2.gz JLDXYTUMIOQLNF-ZIAGYGMSSA-N 0 1 248.370 2.039 10 0 BEAEMN CC(C)CCOCCN1[C@@H](C)COC[C@@H]1C ZINC000077657591 135072096 /nfs/dbraw/zinc/07/20/96/135072096.db2.gz BUJSCWNCXGPVHJ-STQMWFEESA-N 0 1 229.364 2.158 10 0 BEAEMN C[C@H](C(=O)OC(C)(C)C)N(C)C[C@@H]1C[C@H]1C ZINC000252180712 135085633 /nfs/dbraw/zinc/08/56/33/135085633.db2.gz SWCILJVUAZOETN-MXWKQRLJSA-N 0 1 227.348 2.304 10 0 BEAEMN Cc1nc([C@H](C)N[C@@H]2CCO[C@H]2C)cs1 ZINC000252687853 135096962 /nfs/dbraw/zinc/09/69/62/135096962.db2.gz MMFUUHVDEIOXLC-OYNCUSHFSA-N 0 1 226.345 2.280 10 0 BEAEMN c1ccc2cc(CNC3COC3)ccc2c1 ZINC000087194954 135111519 /nfs/dbraw/zinc/11/15/19/135111519.db2.gz ZTWLIYUFBAGJDF-UHFFFAOYSA-N 0 1 213.280 2.328 10 0 BEAEMN Cc1ccc([C@@H](C)NC2COC2)cc1F ZINC000087284330 135116742 /nfs/dbraw/zinc/11/67/42/135116742.db2.gz CCEVGMDWXYIEKQ-SECBINFHSA-N 0 1 209.264 2.184 10 0 BEAEMN Cc1cccc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)[nH+]1 ZINC000263546304 135359745 /nfs/dbraw/zinc/35/97/45/135359745.db2.gz HEWQELHNHSRHQH-SMDDNHRTSA-N 0 1 246.310 2.081 10 0 BEAEMN CCC[C@H](C(=O)OCC)N1C[C@@H]2CCC[C@@H]21 ZINC000348261898 136057803 /nfs/dbraw/zinc/05/78/03/136057803.db2.gz HKHANGVFQGSYKQ-SDDRHHMPSA-N 0 1 225.332 2.203 10 0 BEAEMN C[C@@H](NCC(=O)N(C)C)c1cccc(Cl)c1 ZINC000037207584 397981652 /nfs/dbraw/zinc/98/16/52/397981652.db2.gz DTMOVEXQMGEPOO-SECBINFHSA-N 0 1 240.734 2.079 10 0 BEAEMN NC1(c2cccc(Cl)c2Cl)COC1 ZINC000575581239 397982626 /nfs/dbraw/zinc/98/26/26/397982626.db2.gz MHZLWVCGWVSOBP-UHFFFAOYSA-N 0 1 218.083 2.178 10 0 BEAEMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccnc1 ZINC000136046095 398131505 /nfs/dbraw/zinc/13/15/05/398131505.db2.gz DOWUULUJLBXKGT-UHFFFAOYSA-N 0 1 244.298 2.489 10 0 BEAEMN CC(C)COC(=O)C1(N)CCCCCC1 ZINC000048634809 167020144 /nfs/dbraw/zinc/02/01/44/167020144.db2.gz COHSJHUTSMDKJR-UHFFFAOYSA-N 0 1 213.321 2.237 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])[C@H](C)C1 ZINC000305904382 487604388 /nfs/dbraw/zinc/60/43/88/487604388.db2.gz CFJBOXTZLZSSLT-GHMZBOCLSA-N 0 1 248.326 2.400 10 0 BEAEMN Brc1cccc([C@@H]2NCCCO2)c1 ZINC000049830858 166101317 /nfs/dbraw/zinc/10/13/17/166101317.db2.gz VIVBYMPAUYINMV-SNVBAGLBSA-N 0 1 242.116 2.458 10 0 BEAEMN CC(C)[N@H+]1C[C@@H](C(=O)[O-])C2(C1)CCCCC2 ZINC000008698599 167027579 /nfs/dbraw/zinc/02/75/79/167027579.db2.gz RIIWICRRFQSDLO-NSHDSACASA-N 0 1 225.332 2.362 10 0 BEAEMN CC(C)[N@H+]1C[C@H](C(=O)[O-])C2(C1)CCCCC2 ZINC000008698598 167034054 /nfs/dbraw/zinc/03/40/54/167034054.db2.gz RIIWICRRFQSDLO-LLVKDONJSA-N 0 1 225.332 2.362 10 0 BEAEMN CC(C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000035229475 167133128 /nfs/dbraw/zinc/13/31/28/167133128.db2.gz HHXDEBKOAGGNOR-JTQLQIEISA-N 0 1 222.336 2.064 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000021061272 167344905 /nfs/dbraw/zinc/34/49/05/167344905.db2.gz BSOGBQNSKUXXGZ-NSHDSACASA-N 0 1 239.340 2.215 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@@H+](Cc1ccco1)C1CC1 ZINC000042693087 167345738 /nfs/dbraw/zinc/34/57/38/167345738.db2.gz WPAQOWHTYAMAKG-LBPRGKRZSA-N 0 1 237.299 2.353 10 0 BEAEMN CC(C)[C@@H](C)[NH2+]c1ccc(N)c(C(=O)[O-])c1 ZINC000037930781 167386314 /nfs/dbraw/zinc/38/63/14/167386314.db2.gz QFXPVSMNXMWOEK-MRVPVSSYSA-N 0 1 222.288 2.423 10 0 BEAEMN CC(C)[C@@H](N)C(=O)c1ccc2c(c1)OCCCO2 ZINC000036172008 167417377 /nfs/dbraw/zinc/41/73/77/167417377.db2.gz LNTBGLDEPCWYGX-CYBMUJFWSA-N 0 1 249.310 2.014 10 0 BEAEMN O=C1[C@H]2CCCC2=NN1c1cccc(F)c1 ZINC000104871990 410966392 /nfs/dbraw/zinc/96/63/92/410966392.db2.gz YVUOXIGBQRABHV-JTQLQIEISA-N 0 1 218.231 2.328 10 0 BEAEMN O=c1c2c([nH]n1-c1cccc(F)c1)CCC2 ZINC000104871990 410966396 /nfs/dbraw/zinc/96/63/96/410966396.db2.gz YVUOXIGBQRABHV-JTQLQIEISA-N 0 1 218.231 2.328 10 0 BEAEMN Cc1ccc(Cn2[nH]c3c(c2=O)CCC3)cc1 ZINC000104707374 410947374 /nfs/dbraw/zinc/94/73/74/410947374.db2.gz WKDFXQZRJPABFI-LBPRGKRZSA-N 0 1 228.295 2.493 10 0 BEAEMN CC1=NN(Cc2cccc(C)c2)C(=O)[C@@H]1C ZINC000109223649 411149737 /nfs/dbraw/zinc/14/97/37/411149737.db2.gz NYAVNQQKWSLEFO-SNVBAGLBSA-N 0 1 216.284 2.349 10 0 BEAEMN Cc1[nH]n(Cc2cccc(C)c2)c(=O)c1C ZINC000109223649 411149738 /nfs/dbraw/zinc/14/97/38/411149738.db2.gz NYAVNQQKWSLEFO-SNVBAGLBSA-N 0 1 216.284 2.349 10 0 BEAEMN Cc1cccc(Cn2[nH]c3c(c2=O)CCC3)c1 ZINC000109361932 411150398 /nfs/dbraw/zinc/15/03/98/411150398.db2.gz JEVGSCUORJZZGJ-GFCCVEGCSA-N 0 1 228.295 2.493 10 0 BEAEMN CCN(CC)c1ccc(NC[C@H](C)C(N)=O)cc1 ZINC000062996251 169804333 /nfs/dbraw/zinc/80/43/33/169804333.db2.gz LJXDIAVVKFDMQC-NSHDSACASA-N 0 1 249.358 2.066 10 0 BEAEMN C[N@@H+](CCC1CC1)Cc1ncccc1C(=O)[O-] ZINC000310341475 411234490 /nfs/dbraw/zinc/23/44/90/411234490.db2.gz OCFAYHOGLFKTEM-UHFFFAOYSA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304198249 411353017 /nfs/dbraw/zinc/35/30/17/411353017.db2.gz YEADVOHGELMJBC-NXEZZACHSA-N 0 1 234.299 2.010 10 0 BEAEMN CCC(C)(C)c1nc([C@@](C)(N)CC)no1 ZINC000054404370 168306576 /nfs/dbraw/zinc/30/65/76/168306576.db2.gz QVXKDIJSKKRKIT-NSHDSACASA-N 0 1 211.309 2.341 10 0 BEAEMN CC(C)[C@@H]1CCC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000305941717 411428420 /nfs/dbraw/zinc/42/84/20/411428420.db2.gz LNDALSQUHNVHSR-ZDUSSCGKSA-N 0 1 248.326 2.400 10 0 BEAEMN CC(C)[C@H]1CCC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000305941715 411428613 /nfs/dbraw/zinc/42/86/13/411428613.db2.gz LNDALSQUHNVHSR-CYBMUJFWSA-N 0 1 248.326 2.400 10 0 BEAEMN CCC[N@H+](Cc1ncccc1C(=O)[O-])CC1CC1 ZINC000306010197 411430011 /nfs/dbraw/zinc/43/00/11/411430011.db2.gz WQMUDENKPMNXEN-UHFFFAOYSA-N 0 1 248.326 2.402 10 0 BEAEMN CCN1CCN[C@H](c2ccccc2Cl)C1 ZINC000034155291 170000670 /nfs/dbraw/zinc/00/06/70/170000670.db2.gz KCUSNCLJEYORCP-LBPRGKRZSA-N 0 1 224.735 2.306 10 0 BEAEMN CCN1CCO[C@@H]2c3ccccc3CC[C@H]21 ZINC000029339386 170005139 /nfs/dbraw/zinc/00/51/39/170005139.db2.gz NPVDDTAIFUHPJI-ZIAGYGMSSA-N 0 1 217.312 2.395 10 0 BEAEMN CCNCc1nnc(-c2cc(C)oc2C)o1 ZINC000048655312 170132083 /nfs/dbraw/zinc/13/20/83/170132083.db2.gz CFPNRFGYSAWJAF-UHFFFAOYSA-N 0 1 221.260 2.056 10 0 BEAEMN CCNCc1nc(C(F)(F)F)cs1 ZINC000053294514 170132142 /nfs/dbraw/zinc/13/21/42/170132142.db2.gz PBFYXYJDWABOKD-UHFFFAOYSA-N 0 1 210.224 2.271 10 0 BEAEMN CCN[C@@H](C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037869640 170137841 /nfs/dbraw/zinc/13/78/41/170137841.db2.gz WPPSOSMKIRZKMA-SECBINFHSA-N 0 1 247.125 2.129 10 0 BEAEMN CCN[C@@H]1c2c(cc(F)cc2F)O[C@H]1C ZINC000054932068 170155417 /nfs/dbraw/zinc/15/54/17/170155417.db2.gz LVHJZZCWWDHWDR-KGFZYKRKSA-N 0 1 213.227 2.396 10 0 BEAEMN CCN[C@H](CC)c1nnc([C@H]2CCCCO2)o1 ZINC000061512440 170161601 /nfs/dbraw/zinc/16/16/01/170161601.db2.gz DHFSBQHVOQJIEC-NXEZZACHSA-N 0 1 239.319 2.372 10 0 BEAEMN CCN[C@H](c1ccccc1)c1cnccn1 ZINC000037469133 170164854 /nfs/dbraw/zinc/16/48/54/170164854.db2.gz KXONZVPBPAWKSA-CYBMUJFWSA-N 0 1 213.284 2.176 10 0 BEAEMN CCN[C@H](c1cncnc1)c1ccccc1OC ZINC000052886893 170165086 /nfs/dbraw/zinc/16/50/86/170165086.db2.gz ICKQNVISORANNK-CQSZACIVSA-N 0 1 243.310 2.184 10 0 BEAEMN CCN[C@@H]1c2ccc(OCC3CC3)cc2NC1=O ZINC000103929029 170166265 /nfs/dbraw/zinc/16/62/65/170166265.db2.gz UBZHGIIABGKCHL-CYBMUJFWSA-N 0 1 246.310 2.078 10 0 BEAEMN CCN[C@]1(c2nccs2)CCSC1 ZINC000041060918 170170593 /nfs/dbraw/zinc/17/05/93/170170593.db2.gz GYZHOIDNNCPZKE-SECBINFHSA-N 0 1 214.359 2.085 10 0 BEAEMN CCOC(=O)c1cccc2nc(OCC)[nH]c21 ZINC000089195055 170299262 /nfs/dbraw/zinc/29/92/62/170299262.db2.gz HEDXBGAGAWZJPJ-UHFFFAOYSA-N 0 1 234.255 2.138 10 0 BEAEMN CCOC(=O)c1sc([C@H](N)CC)nc1C ZINC000083356251 170310822 /nfs/dbraw/zinc/31/08/22/170310822.db2.gz VPVXUIHOUXBPDS-SSDOTTSWSA-N 0 1 228.317 2.038 10 0 BEAEMN C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C(=O)[O-] ZINC000662211123 412026184 /nfs/dbraw/zinc/02/61/84/412026184.db2.gz MOSZYFUOSCSNMP-ZYHUDNBSSA-N 0 1 225.332 2.219 10 0 BEAEMN CC[C@@H]1CCN(Cc2ncccc2C(=O)OC)C1 ZINC000302374954 171013910 /nfs/dbraw/zinc/01/39/10/171013910.db2.gz OZARPMNAPHLHJN-LLVKDONJSA-N 0 1 248.326 2.100 10 0 BEAEMN CC[C@@H]1CN(Cc2ccc(N)c(C)c2)CCO1 ZINC000036770124 171089515 /nfs/dbraw/zinc/08/95/15/171089515.db2.gz WCJUSEUCLDYBNZ-CYBMUJFWSA-N 0 1 234.343 2.188 10 0 BEAEMN CC[C@@H]1COCCN1CCNc1ccccc1 ZINC000037635464 171107126 /nfs/dbraw/zinc/10/71/26/171107126.db2.gz LFYGTRMILGVQMF-CQSZACIVSA-N 0 1 234.343 2.209 10 0 BEAEMN CC[C@@](C)(N)c1noc(Cc2cccs2)n1 ZINC000041052959 171172263 /nfs/dbraw/zinc/17/22/63/171172263.db2.gz OPPCEHYOFJIFIQ-LLVKDONJSA-N 0 1 237.328 2.306 10 0 BEAEMN CC[C@H](C)CN(C)c1ncc(N)cc1C ZINC000052812628 171275983 /nfs/dbraw/zinc/27/59/83/171275983.db2.gz YZAHMVSYGOTAFJ-VIFPVBQESA-N 0 1 207.321 2.455 10 0 BEAEMN CC[C@H](C)NC(=O)CN[C@@H](C)c1cccs1 ZINC000035141824 171326540 /nfs/dbraw/zinc/32/65/40/171326540.db2.gz XOPRZLZPJCEUNG-UWVGGRQHSA-N 0 1 240.372 2.313 10 0 BEAEMN CCc1nc([C@H](C)NCC(C)(C)O)cs1 ZINC000112546954 172006332 /nfs/dbraw/zinc/00/63/32/172006332.db2.gz LUPCDMDEUMIURL-QMMMGPOBSA-N 0 1 228.361 2.127 10 0 BEAEMN CCc1[nH+]ccn1[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062758378 172029413 /nfs/dbraw/zinc/02/94/13/172029413.db2.gz FAYHNMSNYWNGHR-VHSXEESVSA-N 0 1 222.288 2.261 10 0 BEAEMN CCn1c(CN)nc2cccc(Cl)c21 ZINC000037443879 172144348 /nfs/dbraw/zinc/14/43/48/172144348.db2.gz PIJFLMCXTIJPDX-UHFFFAOYSA-N 0 1 209.680 2.168 10 0 BEAEMN CCn1ccnc1N[C@@H](C)c1ccccn1 ZINC000050608459 172228337 /nfs/dbraw/zinc/22/83/37/172228337.db2.gz UGLUNXKYAJNRQL-JTQLQIEISA-N 0 1 216.288 2.471 10 0 BEAEMN CN1CCC2=C(C1)N(C(=O)OC(C)(C)C)CC2 ZINC000095347671 173003073 /nfs/dbraw/zinc/00/30/73/173003073.db2.gz GQKUPKSFFHURLR-UHFFFAOYSA-N 0 1 238.331 2.217 10 0 BEAEMN CN1CCCC[C@@H]1c1[nH]nc2c1CCCCN2 ZINC000003698248 173008627 /nfs/dbraw/zinc/00/86/27/173008627.db2.gz DZOXZMRPHKDGBV-LLVKDONJSA-N 0 1 234.347 2.315 10 0 BEAEMN C[N@H+]1CCC[C@H]1CCOc1ccc(C(=O)[O-])cc1 ZINC000050912908 173053915 /nfs/dbraw/zinc/05/39/15/173053915.db2.gz BPOVAISZUYXVDE-LBPRGKRZSA-N 0 1 249.310 2.248 10 0 BEAEMN CN1CC[C@@H](Nc2c(F)cccc2F)C1 ZINC000061984924 173125186 /nfs/dbraw/zinc/12/51/86/173125186.db2.gz ITXJERRNDBRPRI-MRVPVSSYSA-N 0 1 212.243 2.081 10 0 BEAEMN CN1CC[C@@H](Nc2ccccc2Cl)C1 ZINC000061984650 173125702 /nfs/dbraw/zinc/12/57/02/173125702.db2.gz VLDHZHFNIXNWDC-SECBINFHSA-N 0 1 210.708 2.456 10 0 BEAEMN CN1C[C@H]2C[C@@]2(c2ccc(F)c(F)c2)C1 ZINC000169708999 173199746 /nfs/dbraw/zinc/19/97/46/173199746.db2.gz WXIVKHRXEAQSCE-SKDRFNHKSA-N 0 1 209.239 2.168 10 0 BEAEMN CNCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041613014 173335783 /nfs/dbraw/zinc/33/57/83/173335783.db2.gz ZFYRZMLHALTOPF-UHFFFAOYSA-N 0 1 218.083 2.396 10 0 BEAEMN CNCc1nc(N2CCC[C@H]2C)ccc1Cl ZINC000051398778 173394820 /nfs/dbraw/zinc/39/48/20/173394820.db2.gz LSQCXAONZIGFQB-SECBINFHSA-N 0 1 239.750 2.443 10 0 BEAEMN CNCc1nccn1Cc1cccc(Cl)c1 ZINC000035635653 173397895 /nfs/dbraw/zinc/39/78/95/173397895.db2.gz QFNGKPQBPQXCNP-UHFFFAOYSA-N 0 1 235.718 2.304 10 0 BEAEMN COCCCOC[C@H](N)c1cc2ccccc2o1 ZINC000037747189 174255468 /nfs/dbraw/zinc/25/54/68/174255468.db2.gz NBLVKVVAKFEPGF-LBPRGKRZSA-N 0 1 249.310 2.486 10 0 BEAEMN COCC[N@@H+]([C@H](C)C1CC1)[C@@H]1CCCCC1=O ZINC000042680791 174302175 /nfs/dbraw/zinc/30/21/75/174302175.db2.gz RHDGPCHZWQWBET-DGCLKSJQSA-N 0 1 239.359 2.245 10 0 BEAEMN COc1ccc(-c2ccc(CN)o2)cc1 ZINC000020267779 175033340 /nfs/dbraw/zinc/03/33/40/175033340.db2.gz QIDAZWHQYDKIHI-UHFFFAOYSA-N 0 1 203.241 2.414 10 0 BEAEMN COc1ccc(-c2c[nH+]c(N)cc2C(=O)[O-])cc1 ZINC000065347349 175035563 /nfs/dbraw/zinc/03/55/63/175035563.db2.gz DPQCABGOTABAAT-UHFFFAOYSA-N 0 1 244.250 2.038 10 0 BEAEMN COc1ccc(C(=O)C2(N)CCCC2)cc1OC ZINC000011630611 175053219 /nfs/dbraw/zinc/05/32/19/175053219.db2.gz VNAJPBKVKRWBDB-UHFFFAOYSA-N 0 1 249.310 2.158 10 0 BEAEMN COc1ccc(C(=O)[C@H](N)C(C)C)cc1F ZINC000036161635 175066469 /nfs/dbraw/zinc/06/64/69/175066469.db2.gz MCYZVRKKNOOUIF-LLVKDONJSA-N 0 1 225.263 2.000 10 0 BEAEMN COc1ccc(C)cc1[C@H]1CSCCN1 ZINC000041243335 175082381 /nfs/dbraw/zinc/08/23/81/175082381.db2.gz UCTQUVCVQOGZHB-LLVKDONJSA-N 0 1 223.341 2.381 10 0 BEAEMN COc1ccc(CNCc2[nH]cnc2C)cc1 ZINC000054793649 175107901 /nfs/dbraw/zinc/10/79/01/175107901.db2.gz UJMWERQIZIGPOF-UHFFFAOYSA-N 0 1 231.299 2.017 10 0 BEAEMN COc1ccc(F)cc1[C@H](N)c1cccnc1 ZINC000034957093 175133991 /nfs/dbraw/zinc/13/39/91/175133991.db2.gz KPTTVYXBZHLADU-CYBMUJFWSA-N 0 1 232.258 2.277 10 0 BEAEMN COc1ccc2c(c1)CCc1sc(CN)nc1-2 ZINC000019817719 175210243 /nfs/dbraw/zinc/21/02/43/175210243.db2.gz NVWNLWKKIXKOEN-UHFFFAOYSA-N 0 1 246.335 2.376 10 0 BEAEMN COc1ccc2nc([C@@H](C)N)sc2c1 ZINC000045236536 175229073 /nfs/dbraw/zinc/22/90/73/175229073.db2.gz GVLKGGOYAOTINC-ZCFIWIBFSA-N 0 1 208.286 2.325 10 0 BEAEMN COc1cccc(-c2cnc(CN)s2)c1 ZINC000045206054 175235216 /nfs/dbraw/zinc/23/52/16/175235216.db2.gz OWIVEGSYXAJNIU-UHFFFAOYSA-N 0 1 220.297 2.277 10 0 BEAEMN COc1cccc([C@@H](N)c2cccc(C)n2)c1 ZINC000104160046 175288596 /nfs/dbraw/zinc/28/85/96/175288596.db2.gz JSSOEHHQHYHNAJ-CQSZACIVSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1cccc([C@H]2NCCn3cccc32)c1 ZINC000031889917 175296817 /nfs/dbraw/zinc/29/68/17/175296817.db2.gz APJFDVHUDNKPHD-CQSZACIVSA-N 0 1 228.295 2.189 10 0 BEAEMN COc1ccccc1-c1c[nH+]c(N)cc1C(=O)[O-] ZINC000065347330 175309668 /nfs/dbraw/zinc/30/96/68/175309668.db2.gz NEIJQJMHVYODGL-UHFFFAOYSA-N 0 1 244.250 2.038 10 0 BEAEMN COc1ccccc1-c1cnc(CN)s1 ZINC000045206053 175309963 /nfs/dbraw/zinc/30/99/63/175309963.db2.gz CNWZGKMETVADKG-UHFFFAOYSA-N 0 1 220.297 2.277 10 0 BEAEMN COc1ccccc1C(=O)C1(N)CCCC1 ZINC000071521234 175316988 /nfs/dbraw/zinc/31/69/88/175316988.db2.gz KARKSLMBDLDXOF-UHFFFAOYSA-N 0 1 219.284 2.149 10 0 BEAEMN COc1ccccc1N1N=C2CCC[C@@H]2C1=O ZINC000103784978 175336303 /nfs/dbraw/zinc/33/63/03/175336303.db2.gz WXAAWOASEJEPSQ-VIFPVBQESA-N 0 1 230.267 2.198 10 0 BEAEMN COc1ccccc1-n1[nH]c2c(c1=O)CCC2 ZINC000103784978 175336305 /nfs/dbraw/zinc/33/63/05/175336305.db2.gz WXAAWOASEJEPSQ-VIFPVBQESA-N 0 1 230.267 2.198 10 0 BEAEMN COc1ccccc1OCc1ccoc1CN ZINC000052675199 175341573 /nfs/dbraw/zinc/34/15/73/175341573.db2.gz PABAOLQGZMCKFL-UHFFFAOYSA-N 0 1 233.267 2.326 10 0 BEAEMN COc1ccccc1[C@H](C)NCc1cnc[nH]1 ZINC000054763454 175352387 /nfs/dbraw/zinc/35/23/87/175352387.db2.gz IMVPHKJZMPCELN-JTQLQIEISA-N 0 1 231.299 2.269 10 0 BEAEMN C[C@@H](NC(=O)c1ccc(CN)o1)c1ccccc1 ZINC000011628021 175849071 /nfs/dbraw/zinc/84/90/71/175849071.db2.gz BEPVEJJTDAPZRD-SNVBAGLBSA-N 0 1 244.294 2.229 10 0 BEAEMN C[C@@H](Oc1nccnc1CN)c1ccccc1 ZINC000054378537 176006265 /nfs/dbraw/zinc/00/62/65/176006265.db2.gz JQVSNWKOENDOGE-SNVBAGLBSA-N 0 1 229.283 2.075 10 0 BEAEMN C[C@@H](c1ccc(N)cc1)N1CCO[C@H](C)C1 ZINC000040908709 176015368 /nfs/dbraw/zinc/01/53/68/176015368.db2.gz QTNDERFUPVUYJB-MNOVXSKESA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H](c1cccc(N)c1)N1CCO[C@H](C)C1 ZINC000040908045 176018620 /nfs/dbraw/zinc/01/86/20/176018620.db2.gz WQSHQYYYYAXGRT-MNOVXSKESA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H](c1cccnc1)n1c(N)nc2ccccc21 ZINC000035692424 176030796 /nfs/dbraw/zinc/03/07/96/176030796.db2.gz TXUHLAZGIXSXCM-JTQLQIEISA-N 0 1 238.294 2.453 10 0 BEAEMN C[C@@H](c1ccncc1)n1c(N)nc2ccccc21 ZINC000035693995 176035541 /nfs/dbraw/zinc/03/55/41/176035541.db2.gz USDGDVHTRBAOME-JTQLQIEISA-N 0 1 238.294 2.453 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)C/C=C/C(=O)[O-] ZINC000051859863 176078122 /nfs/dbraw/zinc/07/81/22/176078122.db2.gz BQXTUMXWZPYRAK-GGMAAXRASA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1OC(=O)C1(N)CCCC1 ZINC000048633460 176083018 /nfs/dbraw/zinc/08/30/18/176083018.db2.gz WREUVQMIXRTCTA-MNOVXSKESA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CCCC[C@@]1(N)C(=O)OC1CCCC1 ZINC000041038378 176083811 /nfs/dbraw/zinc/08/38/11/176083811.db2.gz VULPFLCAHVPPSV-MFKMUULPSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1CCCC[C@]1(N)c1noc(C(F)(F)F)n1 ZINC000036764999 176091105 /nfs/dbraw/zinc/09/11/05/176091105.db2.gz RIATYVIFUOZEIP-HZGVNTEJSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000014193730 176096385 /nfs/dbraw/zinc/09/63/85/176096385.db2.gz ZPKSYGVNZDDWQZ-GFCCVEGCSA-N 0 1 238.375 2.167 10 0 BEAEMN C[C@@H]1CCCN(CC(=O)c2ccn(C)c2)CC1 ZINC000104354832 176096998 /nfs/dbraw/zinc/09/69/98/176096998.db2.gz HLTSCKAHTWLDOB-GFCCVEGCSA-N 0 1 234.343 2.330 10 0 BEAEMN C[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182890 176101728 /nfs/dbraw/zinc/10/17/28/176101728.db2.gz RSDUOPSSOFBCBW-SNVBAGLBSA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@@H]1CCCN1Cc1nc2cc(N)ccc2[nH]1 ZINC000037909979 176110848 /nfs/dbraw/zinc/11/08/48/176110848.db2.gz UIRAMKWDYXREAV-SECBINFHSA-N 0 1 230.315 2.129 10 0 BEAEMN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134289293 176130507 /nfs/dbraw/zinc/13/05/07/176130507.db2.gz XGEHTEGCPXEUJA-FOGDFJRCSA-N 0 1 247.342 2.134 10 0 BEAEMN C[C@@H]1CCN(Cc2nc(N)ccc2Cl)C1 ZINC000061631513 176177017 /nfs/dbraw/zinc/17/70/17/176177017.db2.gz CZEDTKBVYSCNPO-MRVPVSSYSA-N 0 1 225.723 2.159 10 0 BEAEMN C[C@@H]1CN(C[C@@H]2Cc3ccccc32)CCC1=O ZINC000090992916 176298845 /nfs/dbraw/zinc/29/88/45/176298845.db2.gz SNAVTYDAIZRQPY-YPMHNXCESA-N 0 1 229.323 2.237 10 0 BEAEMN C[C@@H]1C[C@@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000134056754 176397201 /nfs/dbraw/zinc/39/72/01/176397201.db2.gz SXNSEWCPMHQJEH-VXGBXAGGSA-N 0 1 242.326 2.013 10 0 BEAEMN C[C@H](c1ccccn1)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006625833 177043471 /nfs/dbraw/zinc/04/34/71/177043471.db2.gz OJFWZXBZSPXWIM-ZYHUDNBSSA-N 0 1 234.299 2.082 10 0 BEAEMN C[C@H]1CCCC[C@H]1[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000042613703 177086831 /nfs/dbraw/zinc/08/68/31/177086831.db2.gz VPBVSRLICHJPHS-VHSXEESVSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H](NC1=NC[C@H](C)S1)c1ccccn1 ZINC000035695364 177281817 /nfs/dbraw/zinc/28/18/17/177281817.db2.gz XHCFEZHHLYGEEV-IUCAKERBSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@@H](c1ccc(N)cc1)N1CCOC[C@@H]1C ZINC000040908829 177293717 /nfs/dbraw/zinc/29/37/17/177293717.db2.gz JBTNZBHQAFJPSB-QWRGUYRKSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1CC[C@@H](O)c1ccccc1 ZINC000286640537 177297905 /nfs/dbraw/zinc/29/79/05/177297905.db2.gz ZVTIDFMWJBKAJM-VNHYZAJKSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@H]1COC[C@H](C)N1CCc1ccccc1 ZINC000120918167 177299826 /nfs/dbraw/zinc/29/98/26/177299826.db2.gz KJTUVJMVEZQKJO-STQMWFEESA-N 0 1 219.328 2.338 10 0 BEAEMN C[C@@H](NC1=N[C@@H](C)CS1)c1cccnc1 ZINC000035692465 177302668 /nfs/dbraw/zinc/30/26/68/177302668.db2.gz NURRXWLYUJDEIH-DTWKUNHWSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@H](NC1=N[C@@H](C)CS1)c1ccccn1 ZINC000035695352 177302961 /nfs/dbraw/zinc/30/29/61/177302961.db2.gz AHBLDYHQRPRKOX-IUCAKERBSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@H]1C[C@H](c2cccs2)C[N@H+]1CC(=O)[O-] ZINC000309312528 177375400 /nfs/dbraw/zinc/37/54/00/177375400.db2.gz CHRHGGSUWUDPGF-IUCAKERBSA-N 0 1 225.313 2.011 10 0 BEAEMN C[C@H]1C[C@H]1C[N@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000104413997 177379635 /nfs/dbraw/zinc/37/96/35/177379635.db2.gz CQUXZLQDDNGIOR-IUCAKERBSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@H]1C[C@H]1C[N@@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000104413997 177379637 /nfs/dbraw/zinc/37/96/37/177379637.db2.gz CQUXZLQDDNGIOR-IUCAKERBSA-N 0 1 234.299 2.059 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000307233941 487776781 /nfs/dbraw/zinc/77/67/81/487776781.db2.gz QVRMSSGVDFVWTB-MXWKQRLJSA-N 0 1 213.321 2.074 10 0 BEAEMN CC(C)[C@H](C)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304150460 487873286 /nfs/dbraw/zinc/87/32/86/487873286.db2.gz CMZBVQQBERTRRR-JTQLQIEISA-N 0 1 236.315 2.256 10 0 BEAEMN CC[N@H+](Cc1ncccc1C(=O)[O-])CC1CC1 ZINC000304147412 487873696 /nfs/dbraw/zinc/87/36/96/487873696.db2.gz AYAPJNSHZLTACF-UHFFFAOYSA-N 0 1 234.299 2.012 10 0 BEAEMN Cc1cccc(CNCc2cnccc2C)n1 ZINC000135458582 325413747 /nfs/dbraw/zinc/41/37/47/325413747.db2.gz XZBHVDGSGURRMA-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN CCCCN(CC)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000220515187 487988577 /nfs/dbraw/zinc/98/85/77/487988577.db2.gz POHHDEICDYCSDL-LLVKDONJSA-N 0 1 249.358 2.163 10 0 BEAEMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000090978084 488014535 /nfs/dbraw/zinc/01/45/35/488014535.db2.gz RHTFBPXWVLVNAL-CHWSQXEVSA-N 0 1 245.322 2.265 10 0 BEAEMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534416 487488901 /nfs/dbraw/zinc/48/89/01/487488901.db2.gz OFMGTKWSNRBMQX-GHMZBOCLSA-N 0 1 248.326 2.400 10 0 BEAEMN CNc1cc(C)nc(N2CCC(C)CC2)n1 ZINC000074934139 490309662 /nfs/dbraw/zinc/30/96/62/490309662.db2.gz BYSZSGVCMHMMOQ-UHFFFAOYSA-N 0 1 220.320 2.063 10 0 BEAEMN COc1ccccc1[C@H](C)NC1CSC1 ZINC000215965487 491124841 /nfs/dbraw/zinc/12/48/41/491124841.db2.gz CXMIJDSPXAGPFC-VIFPVBQESA-N 0 1 223.341 2.461 10 0 BEAEMN CCC(C(=O)C(F)(F)F)=C(O)C1CC1 ZINC000308530490 566298649 /nfs/dbraw/zinc/29/86/49/566298649.db2.gz JZUVDXPHSCFLPJ-ZCFIWIBFSA-N 0 1 208.179 2.123 10 0 BEAEMN C/C=C/C=C/c1cc(O)cc(O)c1C=O ZINC000013339550 560214637 /nfs/dbraw/zinc/21/46/37/560214637.db2.gz OCJOUESZDWTZOX-MQQKCMAXSA-N 0 1 204.225 2.500 10 0 biogenic,in-vitro BEAEMN CC(C(=O)C(F)(F)F)=C(O)C(C)(C)C ZINC000395458621 583058867 /nfs/dbraw/zinc/05/88/67/583058867.db2.gz KJAWXUIOQWYRBO-RXMQYKEDSA-N 0 1 210.195 2.369 10 0 BEAEMN Cc1cn2c(n1)NC[C@@H](c1ccccc1)C2 ZINC000236045090 582637721 /nfs/dbraw/zinc/63/77/21/582637721.db2.gz CZCIJUONZSGUPV-GFCCVEGCSA-N 0 1 213.284 2.401 10 0 BEAEMN Cc1cn2c(n1)NCC[C@H]2c1nccs1 ZINC000236046515 582637813 /nfs/dbraw/zinc/63/78/13/582637813.db2.gz SVNICRWPSFLOMS-QMMMGPOBSA-N 0 1 220.301 2.053 10 0 BEAEMN N[C@H](CCc1ccccc1)c1ncccn1 ZINC000037467264 582674974 /nfs/dbraw/zinc/67/49/74/582674974.db2.gz DHHYWILQBBLDLS-GFCCVEGCSA-N 0 1 213.284 2.109 10 0 BEAEMN Fc1cccc2c1CC[C@@H]2NCc1c[nH]cn1 ZINC000112344065 582819695 /nfs/dbraw/zinc/81/96/95/582819695.db2.gz KLMCPNBXXPXODL-ZDUSSCGKSA-N 0 1 231.274 2.326 10 0 BEAEMN c1cc2c(o1)CCN[C@H]2[C@@H]1CCCCO1 ZINC000702581431 582927149 /nfs/dbraw/zinc/92/71/49/582927149.db2.gz TUGMPXCBRHFEMD-NWDGAFQWSA-N 0 1 207.273 2.036 10 0 BEAEMN C[C@@H](C(=O)C(F)F)C(=O)[C@H]1CC1(C)C ZINC000397584184 583102261 /nfs/dbraw/zinc/10/22/61/583102261.db2.gz IKUFVYIDDLLKJX-PHDIDXHHSA-N 0 1 204.216 2.072 10 0 BEAEMN c1cn2c(n1)NCC[C@H]2c1ccsc1 ZINC000232463265 585030994 /nfs/dbraw/zinc/03/09/94/585030994.db2.gz BNTJXDIZHVMUAE-VIFPVBQESA-N 0 1 205.286 2.350 10 0 BEAEMN CC[C@@H](N)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757151675 586428982 /nfs/dbraw/zinc/42/89/82/586428982.db2.gz JGTRSSNYWKSACY-LLVKDONJSA-N 0 1 225.719 2.497 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C)c(C)c2)C1 ZINC000757193329 586436270 /nfs/dbraw/zinc/43/62/70/586436270.db2.gz SLYVMOFQRDZEIB-KBPBESRZSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2cccc(C)c2C)C1 ZINC000757194146 586436578 /nfs/dbraw/zinc/43/65/78/586436578.db2.gz YPUVFINYPPGDAY-KBPBESRZSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[C@@H]1CC[C@H](C)N1c1cc(C)nc(N)n1 ZINC000124472265 590018701 /nfs/dbraw/zinc/01/87/01/590018701.db2.gz XLGYOCOBNYYNJR-VHSXEESVSA-N 0 1 220.320 2.135 10 0 BEAEMN CC[C@@H]1CC[C@@H](C)N1c1cc(C)nc(N)n1 ZINC000124472731 590019284 /nfs/dbraw/zinc/01/92/84/590019284.db2.gz XLGYOCOBNYYNJR-NXEZZACHSA-N 0 1 220.320 2.135 10 0 BEAEMN C1=CCC(NCc2cnn(-c3ccccc3)n2)C1 ZINC000125242815 590159059 /nfs/dbraw/zinc/15/90/59/590159059.db2.gz QBYAGRCEJSUPKF-UHFFFAOYSA-N 0 1 240.310 2.076 10 0 BEAEMN COC(C)(C)C[C@H](C)NCc1nnc(C)s1 ZINC000134723105 591947560 /nfs/dbraw/zinc/94/75/60/591947560.db2.gz FRCQZJFCUATZAJ-QMMMGPOBSA-N 0 1 243.376 2.140 10 0 BEAEMN C[C@H](NCc1nc(Cl)cs1)[C@@H]1CCCO1 ZINC000309087948 631874970 /nfs/dbraw/zinc/87/49/70/631874970.db2.gz ABZZGSMEQFEEGS-YUMQZZPRSA-N 0 1 246.763 2.454 10 0 BEAEMN CCCN[C@@H](C)c1nc([C@@H](OC)C2CC2)no1 ZINC000157228706 640640574 /nfs/dbraw/zinc/64/05/74/640640574.db2.gz NQNPJRXNJSBLRH-WPRPVWTQSA-N 0 1 239.319 2.228 10 0 BEAEMN C[C@H](NCc1cncnc1)c1ccsc1 ZINC000061361761 640956117 /nfs/dbraw/zinc/95/61/17/640956117.db2.gz YNINWLQMKRFSCC-VIFPVBQESA-N 0 1 219.313 2.389 10 0 BEAEMN Cc1cnc([C@@H](C)NCCCCCCO)o1 ZINC000230645568 641076176 /nfs/dbraw/zinc/07/61/76/641076176.db2.gz ONTCXPYGQRBEFK-LLVKDONJSA-N 0 1 226.320 2.186 10 0 BEAEMN COc1ccccc1[C@H](O)CNCc1ccco1 ZINC000032102846 641741198 /nfs/dbraw/zinc/74/11/98/641741198.db2.gz ZHNBFXJOBFXKDY-CYBMUJFWSA-N 0 1 247.294 2.111 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1CCc1cccs1 ZINC000077364869 641848986 /nfs/dbraw/zinc/84/89/86/641848986.db2.gz WTQKWVOPFKSKOV-GHMZBOCLSA-N 0 1 225.357 2.400 10 0 BEAEMN C[C@@H]1C[C@H](C(F)(F)F)Nc2nccn21 ZINC000235307383 642431287 /nfs/dbraw/zinc/43/12/87/642431287.db2.gz SJMNUMNAEJSRIU-PHDIDXHHSA-N 0 1 205.183 2.191 10 0 BEAEMN CC[C@H](C)c1noc(CNCC2CC2)n1 ZINC000082561193 643343770 /nfs/dbraw/zinc/34/37/70/643343770.db2.gz LQXKLTAPAINEAW-QMMMGPOBSA-N 0 1 209.293 2.083 10 0 BEAEMN CC(C)(C)Cc1noc(CNCC2CC2)n1 ZINC000082673304 643365670 /nfs/dbraw/zinc/36/56/70/643365670.db2.gz KURXXEJKGIMJOB-UHFFFAOYSA-N 0 1 223.320 2.158 10 0 BEAEMN CC[C@H](C)c1noc(-c2csc(CN)n2)n1 ZINC000085546486 644443275 /nfs/dbraw/zinc/44/32/75/644443275.db2.gz KLAZBCLQUWZJPD-LURJTMIESA-N 0 1 238.316 2.165 10 0 BEAEMN CC(C)[C@@H](N)c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251284609 644800958 /nfs/dbraw/zinc/80/09/58/644800958.db2.gz DZRQLGBMDHEOED-UTINFBMNSA-N 0 1 221.304 2.239 10 0 BEAEMN C[C@H](C(N)=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000251693878 644817434 /nfs/dbraw/zinc/81/74/34/644817434.db2.gz LTXQPVHWEQKVQY-RKDXNWHRSA-N 0 1 240.734 2.207 10 0 BEAEMN C[C@@H](NCc1cccnc1Cl)[C@@H]1CCCO1 ZINC000105418369 645314890 /nfs/dbraw/zinc/31/48/90/645314890.db2.gz HRZVXAPWEZFSCN-KOLCDFICSA-N 0 1 240.734 2.392 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1nccn1C1CC1 ZINC000711817740 712332475 /nfs/dbraw/zinc/33/24/75/712332475.db2.gz NTMOGAZYYUOVFI-ZYHUDNBSSA-N 0 1 219.332 2.496 10 0 BEAEMN C[C@@H](NCc1scnc1Cl)[C@H]1CCCO1 ZINC000713445887 712460305 /nfs/dbraw/zinc/46/03/05/712460305.db2.gz AOIXCWXVZPPJPB-HTQZYQBOSA-N 0 1 246.763 2.454 10 0 BEAEMN CC[C@H](C)C[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710241759 977497147 /nfs/dbraw/zinc/49/71/47/977497147.db2.gz GTKSFJOLGHEFAS-NHCYSSNCSA-N 0 1 213.321 2.075 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711424376 977545794 /nfs/dbraw/zinc/54/57/94/977545794.db2.gz XTNQKSWBDDPEPU-JGVFFNPUSA-N 0 1 225.313 2.287 10 0 BEAEMN CC(C)C1(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000687530404 954617614 /nfs/dbraw/zinc/61/76/14/954617614.db2.gz VHALDBVOQOGSNH-NEPJUHHUSA-N 0 1 239.359 2.465 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000706732169 954955627 /nfs/dbraw/zinc/95/56/27/954955627.db2.gz KGBAOCSFUOYHQD-ZJUUUORDSA-N 0 1 219.284 2.225 10 0 BEAEMN CC(C)SCC[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000710527944 955028711 /nfs/dbraw/zinc/02/87/11/955028711.db2.gz PRZLKEVGJYZNHC-MNOVXSKESA-N 0 1 245.388 2.171 10 0 BEAEMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccns1 ZINC000716012885 955124512 /nfs/dbraw/zinc/12/45/12/955124512.db2.gz AGZYXUIFETVMNN-SSDOTTSWSA-N 0 1 249.295 2.409 10 0 BEAEMN CC[N@@H+](CCCC(C)C)[C@H](C)C(=O)[O-] ZINC000707970246 969030753 /nfs/dbraw/zinc/03/07/53/969030753.db2.gz ASDBMNKXFQVNRJ-SNVBAGLBSA-N 0 1 201.310 2.218 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@H](CCF)C1 ZINC000689377173 976252266 /nfs/dbraw/zinc/25/22/66/976252266.db2.gz QROIQZOHWOCWHW-ZJRUKIMVSA-N 0 1 229.295 2.089 10 0 BEAEMN CC(C)OCCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000690408617 976290116 /nfs/dbraw/zinc/29/01/16/976290116.db2.gz JHJFMAYCQUQVEE-LBPRGKRZSA-N 0 1 243.347 2.131 10 0 BEAEMN CC[N@@H+](CCC(=O)[O-])Cc1nc(C)sc1C ZINC000692476453 976502539 /nfs/dbraw/zinc/50/25/39/976502539.db2.gz QQXPNVXVSSHGSA-UHFFFAOYSA-N 0 1 242.344 2.057 10 0 BEAEMN Cc1cc(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cs1 ZINC000693025252 976570013 /nfs/dbraw/zinc/57/00/13/976570013.db2.gz HDXWPVRWCCRQSA-PHIMTYICSA-N 0 1 239.340 2.352 10 0 BEAEMN C[N@@H+](CCCC1CC1)C(C)(C)CC(=O)[O-] ZINC000694037180 976663249 /nfs/dbraw/zinc/66/32/49/976663249.db2.gz SYVGRKZFTXCDMB-UHFFFAOYSA-N 0 1 213.321 2.362 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N2CCCC3(CC3)C2)c1 ZINC000695076337 976774573 /nfs/dbraw/zinc/77/45/73/976774573.db2.gz FAVRFZOMTWGXON-UHFFFAOYSA-N 0 1 232.283 2.160 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC=C(Cl)C1 ZINC000695089456 976775928 /nfs/dbraw/zinc/77/59/28/976775928.db2.gz DODYWHHXHSCLTQ-SNVBAGLBSA-N 0 1 231.723 2.314 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000695084132 976776137 /nfs/dbraw/zinc/77/61/37/976776137.db2.gz RMAXJRGKNXMCMZ-NEPJUHHUSA-N 0 1 225.332 2.218 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCS[C@H](C)CC1 ZINC000695166580 976787832 /nfs/dbraw/zinc/78/78/32/976787832.db2.gz MSWBWSWTNULZCZ-GHMZBOCLSA-N 0 1 245.388 2.313 10 0 BEAEMN Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1C(=O)[O-] ZINC000701818789 977043987 /nfs/dbraw/zinc/04/39/87/977043987.db2.gz VUAQUOPCKZKSQA-WCQYABFASA-N 0 1 231.295 2.287 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@@H+]1CCCC[C@H](C)C1 ZINC000703658697 977174077 /nfs/dbraw/zinc/17/40/77/977174077.db2.gz LPXYUKGOQLKUPU-QBQSQJOESA-N 0 1 211.305 2.139 10 0 BEAEMN C[N@H+](CC(=O)[O-])Cc1c(F)ccc(F)c1Cl ZINC000705716211 977289397 /nfs/dbraw/zinc/28/93/97/977289397.db2.gz NDYGBGHZWTYWFO-UHFFFAOYSA-N 0 1 249.644 2.135 10 0 BEAEMN C[N@@H+](CC(=O)[O-])Cc1c(F)ccc(F)c1Cl ZINC000705716211 977289405 /nfs/dbraw/zinc/28/94/05/977289405.db2.gz NDYGBGHZWTYWFO-UHFFFAOYSA-N 0 1 249.644 2.135 10 0 BEAEMN C[C@@H]1CC[C@@H](C)N1c1cc(C(=O)[O-])cc[nH+]1 ZINC000706234584 977311160 /nfs/dbraw/zinc/31/11/60/977311160.db2.gz UDTWCWMMMQVVED-RKDXNWHRSA-N 0 1 220.272 2.157 10 0 BEAEMN CC[N@@H+](C/C(C)=C/C(=O)[O-])[C@@H](C)C(C)C ZINC000706666171 977358167 /nfs/dbraw/zinc/35/81/67/977358167.db2.gz KBXFYVLLKZEOSC-HUYFXPKMSA-N 0 1 213.321 2.384 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1F ZINC000706736446 977360397 /nfs/dbraw/zinc/36/03/97/977360397.db2.gz XIOHKVIPBDMWII-DTWKUNHWSA-N 0 1 237.274 2.364 10 0 BEAEMN Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)oc1C(=O)[O-] ZINC000706912049 977367446 /nfs/dbraw/zinc/36/74/46/977367446.db2.gz CYKFINDLRMNMHI-RKDXNWHRSA-N 0 1 223.272 2.126 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)o1 ZINC000706932658 977368731 /nfs/dbraw/zinc/36/87/31/977368731.db2.gz AAERCBHPYOPONE-MWLCHTKSSA-N 0 1 235.283 2.352 10 0 BEAEMN O=C([O-])c1ccoc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706935304 977369932 /nfs/dbraw/zinc/36/99/32/977369932.db2.gz KYFOGSRZBHFFEX-ONGXEEELSA-N 0 1 235.283 2.352 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000707008276 977372810 /nfs/dbraw/zinc/37/28/10/977372810.db2.gz VGMBLLBGWOACTB-SSDOTTSWSA-N 0 1 245.225 2.065 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000707301664 977381776 /nfs/dbraw/zinc/38/17/76/977381776.db2.gz FZCLSYXELDBTBV-RUYJGKKWSA-N 0 1 243.372 2.091 10 0 BEAEMN CC[C@](C)([NH2+]Cc1nc(C)sc1C)C(=O)[O-] ZINC000707917414 977404366 /nfs/dbraw/zinc/40/43/66/977404366.db2.gz MJTFBZPLQWPHMU-NSHDSACASA-N 0 1 242.344 2.103 10 0 BEAEMN C[C@H]1C[N@@H+](CCc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC000710162908 977488500 /nfs/dbraw/zinc/48/85/00/977488500.db2.gz VJPXZDKVRJRXBN-WFASDCNBSA-N 0 1 247.338 2.272 10 0 BEAEMN O=C([O-])c1csc(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000711432618 977547992 /nfs/dbraw/zinc/54/79/92/977547992.db2.gz ZLKQYMKBJMEMDN-OIBJUYFYSA-N 0 1 223.297 2.041 10 0 BEAEMN CCc1[nH+]ccn1Cc1cc(C(=O)[O-])cs1 ZINC000711458173 977548901 /nfs/dbraw/zinc/54/89/01/977548901.db2.gz QLASAPXKFLSGOJ-UHFFFAOYSA-N 0 1 236.296 2.254 10 0 BEAEMN O=C([O-])c1cc[nH+]c(NC[C@@H]2C=CCC2)c1 ZINC000711761222 977573199 /nfs/dbraw/zinc/57/31/99/977573199.db2.gz STJSAKQHSUWJKK-SECBINFHSA-N 0 1 218.256 2.158 10 0 BEAEMN C=C/C=C/CC[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000713711160 977657898 /nfs/dbraw/zinc/65/78/98/977657898.db2.gz QSFCPHSCVQIEHF-AAOUONPWSA-N 0 1 223.316 2.448 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC000718071352 977941039 /nfs/dbraw/zinc/94/10/39/977941039.db2.gz DHKNEKFTUARZPR-GWCFXTLKSA-N 0 1 237.299 2.131 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N[C@H]2CC23CCC3)c1 ZINC000721270110 978097264 /nfs/dbraw/zinc/09/72/64/978097264.db2.gz AMMVLRCEKZGVCL-VIFPVBQESA-N 0 1 218.256 2.134 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@@H+](Cc1ccoc1)C1CC1 ZINC000723722510 978216778 /nfs/dbraw/zinc/21/67/78/978216778.db2.gz PEPQKVZQVHCWHV-UXBLZVDNSA-N 0 1 235.283 2.275 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000822162279 978928291 /nfs/dbraw/zinc/92/82/91/978928291.db2.gz UTPMLUKBAFCPOC-DVVUODLYSA-N 0 1 232.283 2.380 10 0 BEAEMN C[C@H]1C[C@@]2(CC(C)(C)C1)C(=O)CCN2C ZINC000685954578 538899172 /nfs/dbraw/zinc/89/91/72/538899172.db2.gz OHOAXCVQODNSEP-ZWNOBZJWSA-N 0 1 209.333 2.476 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1OCC(F)(F)CN ZINC000685956495 538902866 /nfs/dbraw/zinc/90/28/66/538902866.db2.gz VOGUYJIVHGPBRE-BDAKNGLRSA-N 0 1 207.264 2.176 10 0 BEAEMN CC[C@@H](C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000685961404 538908475 /nfs/dbraw/zinc/90/84/75/538908475.db2.gz HPZTZJKEQFPDGX-OCCSQVGLSA-N 0 1 248.370 2.061 10 0 BEAEMN CCN1CCC(=O)[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952636 538896632 /nfs/dbraw/zinc/89/66/32/538896632.db2.gz BHLANSZPUVNLQN-PJXYFTJBSA-N 0 1 209.333 2.476 10 0 BEAEMN CC[C@H](C)n1cc2c(n1)[C@H](C)NC(=S)O2 ZINC000685965941 538911023 /nfs/dbraw/zinc/91/10/23/538911023.db2.gz ZWVALEULAZFPCY-BQBZGAKWSA-N 0 1 225.317 2.182 10 0 BEAEMN CC(=O)c1nn([C@@H](C)C(C)(C)C)cc1O ZINC000685965343 538912140 /nfs/dbraw/zinc/91/21/40/538912140.db2.gz AKBNQLVVFCEJBK-QMMMGPOBSA-N 0 1 210.277 2.398 10 0 BEAEMN CCCCCn1cc2c(n1)[C@H](C)NC(=S)O2 ZINC000685965825 538912446 /nfs/dbraw/zinc/91/24/46/538912446.db2.gz UYHFKTKIJXYZHN-QMMMGPOBSA-N 0 1 239.344 2.401 10 0 BEAEMN C[C@@H]1CN[C@H](c2ccc(O)c(F)c2)S1 ZINC000232448129 398179462 /nfs/dbraw/zinc/17/94/62/398179462.db2.gz INOSUDMLJCMQAZ-LDWIPMOCSA-N 0 1 213.277 2.255 10 0 BEAEMN CC1(C)CN[C@H]1c1ncc(Cl)s1 ZINC000307672684 398191655 /nfs/dbraw/zinc/19/16/55/398191655.db2.gz YWJUVWMGFGYTCM-LURJTMIESA-N 0 1 202.710 2.467 10 0 BEAEMN Cc1cc(NC(C)C)nc(NC(C)C)n1 ZINC000045356137 178153306 /nfs/dbraw/zinc/15/33/06/178153306.db2.gz JKLDAVVLWFDOHT-UHFFFAOYSA-N 0 1 208.309 2.426 10 0 BEAEMN Cc1cc([C@H](C)N[C@H](C)[C@@H]2CCCO2)no1 ZINC000279555605 178256467 /nfs/dbraw/zinc/25/64/67/178256467.db2.gz JSVSHTWPZAVFRZ-UMNHJUIQSA-N 0 1 224.304 2.201 10 0 BEAEMN CCCCCC(=O)C=C(O)[C@H]1CCOC1 ZINC000229650879 538940190 /nfs/dbraw/zinc/94/01/90/538940190.db2.gz RVZDBDBUPVPADG-JTQLQIEISA-N 0 1 212.289 2.132 10 0 BEAEMN Cc1cc2ccccc2c(NCCCO)n1 ZINC000302067626 178298022 /nfs/dbraw/zinc/29/80/22/178298022.db2.gz SXVAKTIZPWNEHX-UHFFFAOYSA-N 0 1 216.284 2.338 10 0 BEAEMN Cc1ccc(-c2nc([C@H](N)C3CC3)no2)c(C)n1 ZINC000055331703 178337025 /nfs/dbraw/zinc/33/70/25/178337025.db2.gz AXOQYMZIYDEBPZ-LLVKDONJSA-N 0 1 244.298 2.158 10 0 BEAEMN CC[N@H+]1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616613036 349603840 /nfs/dbraw/zinc/60/38/40/349603840.db2.gz HHJHSEMCDNGJIU-JTQLQIEISA-N 0 1 219.284 2.194 10 0 BEAEMN Cc1cccc(CN2CCCNC(=O)[C@H]2C)c1C ZINC000189097816 346858303 /nfs/dbraw/zinc/85/83/03/346858303.db2.gz FDMGSKVFDZVRFI-CYBMUJFWSA-N 0 1 246.354 2.014 10 0 BEAEMN N[C@H](Cc1sccc1Cl)c1cnsn1 ZINC000306650510 361849402 /nfs/dbraw/zinc/84/94/02/361849402.db2.gz FONPLVHAYGSWFH-ZCFIWIBFSA-N 0 1 245.760 2.496 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000002035248 342714975 /nfs/dbraw/zinc/71/49/75/342714975.db2.gz BLRQXMHAGNJVHO-GFCCVEGCSA-N 0 1 221.300 2.228 10 0 BEAEMN CSc1nc(=S)[nH]c2n[nH]c(C)c21 ZINC000005891681 342771310 /nfs/dbraw/zinc/77/13/10/342771310.db2.gz WCWHUSGSYQLCIV-UHFFFAOYSA-N 0 1 212.303 2.046 10 0 BEAEMN C[C@@H]1[C@@H](C)CCCN1c1cc(C(=O)[O-])cc[nH+]1 ZINC000050566748 539011358 /nfs/dbraw/zinc/01/13/58/539011358.db2.gz WMXFNLJFXHRYJR-VHSXEESVSA-N 0 1 234.299 2.405 10 0 BEAEMN N[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000011831947 342843746 /nfs/dbraw/zinc/84/37/46/342843746.db2.gz SKZCRSJSQDGAIE-NSHDSACASA-N 0 1 219.675 2.178 10 0 BEAEMN Cc1n[nH]c(C2CCC(F)(F)CC2)n1 ZINC000127097590 342845964 /nfs/dbraw/zinc/84/59/64/342845964.db2.gz UQXFHRTZFONMIV-UHFFFAOYSA-N 0 1 201.220 2.406 10 0 BEAEMN Cc1nnc(C2CCC(F)(F)CC2)[nH]1 ZINC000127097590 342845966 /nfs/dbraw/zinc/84/59/66/342845966.db2.gz UQXFHRTZFONMIV-UHFFFAOYSA-N 0 1 201.220 2.406 10 0 BEAEMN C[C@@H]1C[C@@H](C)SC(NCC(F)F)=N1 ZINC000165037141 342871224 /nfs/dbraw/zinc/87/12/24/342871224.db2.gz CLMUOGVXBDPENI-PHDIDXHHSA-N 0 1 208.277 2.111 10 0 BEAEMN Cc1nnc(CN[C@@H]2CC[C@@H](C)C2)s1 ZINC000134664087 342875975 /nfs/dbraw/zinc/87/59/75/342875975.db2.gz JDGZDBNDFQASHR-VXNVDRBHSA-N 0 1 211.334 2.125 10 0 BEAEMN CN1CCC(Oc2nc(Cl)cs2)CC1 ZINC000164940168 342859216 /nfs/dbraw/zinc/85/92/16/342859216.db2.gz LINAVCZMGNHTME-UHFFFAOYSA-N 0 1 232.736 2.270 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1C[C@@H]2CCC[C@H]21 ZINC000351729049 536650734 /nfs/dbraw/zinc/65/07/34/536650734.db2.gz CDHKORLCDUSSJI-TUAOUCFPSA-N 0 1 225.332 2.058 10 0 BEAEMN CC(C)=CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000303080164 192054923 /nfs/dbraw/zinc/05/49/23/192054923.db2.gz IJUDDGRDOHRQLV-STQMWFEESA-N 0 1 236.359 2.038 10 0 BEAEMN C[N@H+]1CCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000220107760 344021175 /nfs/dbraw/zinc/02/11/75/344021175.db2.gz LSHLBNZDUTUOLI-LLVKDONJSA-N 0 1 205.257 2.152 10 0 BEAEMN CCOC(=O)Nc1cc(N)cc2nc(C)[nH]c21 ZINC000140378308 343072053 /nfs/dbraw/zinc/07/20/53/343072053.db2.gz XZQNSZNFHJZMLI-UHFFFAOYSA-N 0 1 234.259 2.022 10 0 BEAEMN Cc1cccc2c1N(Cc1cnc[nH]1)CCO2 ZINC000144897011 343142383 /nfs/dbraw/zinc/14/23/83/343142383.db2.gz AFXVJVYIQDALAX-UHFFFAOYSA-N 0 1 229.283 2.117 10 0 BEAEMN OC1(CNCc2ccn(C3CCCC3)n2)CCC1 ZINC000127403205 343178108 /nfs/dbraw/zinc/17/81/08/343178108.db2.gz KUNLSMJHLWQYHP-UHFFFAOYSA-N 0 1 249.358 2.003 10 0 BEAEMN C[C@H]1NCc2c1ccc(N)c2Br ZINC000082359374 187243165 /nfs/dbraw/zinc/24/31/65/187243165.db2.gz QEGDIWDRAFXFET-RXMQYKEDSA-N 0 1 227.105 2.196 10 0 BEAEMN C[C@H]1CO[C@H](c2ccc(F)cc2F)CN1 ZINC000036673483 187250017 /nfs/dbraw/zinc/25/00/17/187250017.db2.gz LTDZVKIZVJJDGO-CPCISQLKSA-N 0 1 213.227 2.014 10 0 BEAEMN COCC(=O)c1ccc(O)c2ccccc12 ZINC000238324652 343255259 /nfs/dbraw/zinc/25/52/59/343255259.db2.gz MXBATBHYADSODJ-UHFFFAOYSA-N 0 1 216.236 2.375 10 0 BEAEMN C[C@H]1Cc2nc[nH]c2[C@@H](c2ccccc2)N1 ZINC000238468496 343257057 /nfs/dbraw/zinc/25/70/57/343257057.db2.gz HPBPDFQEUXPCQU-JOYOIKCWSA-N 0 1 213.284 2.033 10 0 BEAEMN CC(C)(C)OC(=O)C1(N)CCCCCC1 ZINC000037729930 343353112 /nfs/dbraw/zinc/35/31/12/343353112.db2.gz XIECZSSEKAJTBX-UHFFFAOYSA-N 0 1 213.321 2.380 10 0 BEAEMN CCCc1nnc(-c2sccc2N)[nH]1 ZINC000041058647 343413952 /nfs/dbraw/zinc/41/39/52/343413952.db2.gz GOUGSRGJUFKFSM-UHFFFAOYSA-N 0 1 208.290 2.068 10 0 BEAEMN CCCc1n[nH]c(-c2sccc2N)n1 ZINC000041058647 343413954 /nfs/dbraw/zinc/41/39/54/343413954.db2.gz GOUGSRGJUFKFSM-UHFFFAOYSA-N 0 1 208.290 2.068 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693651 343539312 /nfs/dbraw/zinc/53/93/12/343539312.db2.gz LCSRMTWZHAIFHQ-JFGNBEQYSA-N 0 1 213.321 2.074 10 0 BEAEMN CCc1n[nH]c(-c2ccoc2Br)n1 ZINC000234157171 343500234 /nfs/dbraw/zinc/50/02/34/343500234.db2.gz MXKRFHNLQZNZEJ-UHFFFAOYSA-N 0 1 242.076 2.390 10 0 BEAEMN CCc1nc(-c2ccoc2Br)n[nH]1 ZINC000234157171 343500237 /nfs/dbraw/zinc/50/02/37/343500237.db2.gz MXKRFHNLQZNZEJ-UHFFFAOYSA-N 0 1 242.076 2.390 10 0 BEAEMN CC(C)(N)c1noc(-c2ccc(F)cc2)n1 ZINC000041052846 187264633 /nfs/dbraw/zinc/26/46/33/187264633.db2.gz ISETZDPAVDVQRP-UHFFFAOYSA-N 0 1 221.235 2.070 10 0 BEAEMN Cc1cc(N)cnc1N[C@@H](CO)c1ccccc1 ZINC000063000936 187273630 /nfs/dbraw/zinc/27/36/30/187273630.db2.gz YOFOMPJTBCYXPZ-ZDUSSCGKSA-N 0 1 243.310 2.118 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C1CC1)C1CCSCC1 ZINC000409425935 343820897 /nfs/dbraw/zinc/82/08/97/343820897.db2.gz BIBXGMWCERCZKI-LLVKDONJSA-N 0 1 243.372 2.210 10 0 BEAEMN CC(C)c1n[nH]c(-c2ccncc2)c1CO ZINC000409442100 343857298 /nfs/dbraw/zinc/85/72/98/343857298.db2.gz WNZDLYGZYCMESD-UHFFFAOYSA-N 0 1 217.272 2.087 10 0 BEAEMN CCc1n[nH]c(C(C)C)c1CCC(=O)OC ZINC000409438717 343844793 /nfs/dbraw/zinc/84/47/93/343844793.db2.gz FHTMSJCEQWPFRA-UHFFFAOYSA-N 0 1 224.304 2.201 10 0 BEAEMN COC(=N)CCc1c(C)n[nH]c1C1CC1 ZINC000409438788 343845378 /nfs/dbraw/zinc/84/53/78/343845378.db2.gz FYVCEXGLAYXWCW-UHFFFAOYSA-N 0 1 207.277 2.152 10 0 BEAEMN CC(C)c1n[nH]c(C2CCC2)c1CCC(N)=O ZINC000409439075 343846639 /nfs/dbraw/zinc/84/66/39/343846639.db2.gz GOHJCVSXFNJPSO-UHFFFAOYSA-N 0 1 235.331 2.219 10 0 BEAEMN CCc1[nH]nc(C2CCC2)c1C(=O)OC ZINC000409438271 343850408 /nfs/dbraw/zinc/85/04/08/343850408.db2.gz CADFAMYPZASNMP-UHFFFAOYSA-N 0 1 208.261 2.026 10 0 BEAEMN OCCc1c(-c2ccoc2)[nH]nc1C1CCC1 ZINC000409442420 343858396 /nfs/dbraw/zinc/85/83/96/343858396.db2.gz ZSQHBTXMGUACEG-UHFFFAOYSA-N 0 1 232.283 2.472 10 0 BEAEMN N=C(NO)[C@@H](C1CCCC1)n1cccc1 ZINC000409442557 343858577 /nfs/dbraw/zinc/85/85/77/343858577.db2.gz WXNGNOLPPFGDBC-SNVBAGLBSA-N 0 1 207.277 2.175 10 0 BEAEMN Cc1cc(Cl)cc([C@H]2COCCN2)c1 ZINC000215597597 349900866 /nfs/dbraw/zinc/90/08/66/349900866.db2.gz VDSKRLHDDJSPMY-LLVKDONJSA-N 0 1 211.692 2.309 10 0 BEAEMN C[C@H]1CCC[C@H]1Nc1nc[nH]c(=O)c1Cl ZINC000165814765 344147427 /nfs/dbraw/zinc/14/74/27/344147427.db2.gz WIUPGYWVCYZJDM-NKWVEPMBSA-N 0 1 227.695 2.024 10 0 BEAEMN CC(C)C1(CNCc2csnn2)CC1 ZINC000133355334 344318812 /nfs/dbraw/zinc/31/88/12/344318812.db2.gz OGPLKZHKQQVROP-UHFFFAOYSA-N 0 1 211.334 2.064 10 0 BEAEMN C[C@@H]1C[C@H](C)CN1Cc1ccc(C=O)o1 ZINC000158062664 344355972 /nfs/dbraw/zinc/35/59/72/344355972.db2.gz RTNCXOAHXBJOAF-VHSXEESVSA-N 0 1 207.273 2.322 10 0 BEAEMN C[C@@H]1C[C@@](O)(c2ccc(Cl)s2)CN1C ZINC000127474308 344545670 /nfs/dbraw/zinc/54/56/70/344545670.db2.gz DBCWRBNEPSGTCV-XCBNKYQSSA-N 0 1 231.748 2.313 10 0 BEAEMN N[C@H](C(=O)NCCC1CCCC1)c1ccccc1 ZINC000037740083 344575225 /nfs/dbraw/zinc/57/52/25/344575225.db2.gz QPFOIBRVEFVDIQ-AWEZNQCLSA-N 0 1 246.354 2.383 10 0 BEAEMN C[C@H](C1CC1)[N@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127659749 344584680 /nfs/dbraw/zinc/58/46/80/344584680.db2.gz JPZMVDQGCVWJNP-SKDRFNHKSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1ccsc1[C@H]1NCCc2nc[nH]c21 ZINC000400409356 537853255 /nfs/dbraw/zinc/85/32/55/537853255.db2.gz VNLGPZLUHDDXCL-JTQLQIEISA-N 0 1 219.313 2.015 10 0 BEAEMN CN(Cc1ccccc1)[C@H]1CCCC1=O ZINC000050132535 344646796 /nfs/dbraw/zinc/64/67/96/344646796.db2.gz CQNKOMMUDNHTQG-LBPRGKRZSA-N 0 1 203.285 2.240 10 0 BEAEMN CCn1c([C@@H](N)C(C)(C)C)nc2cccnc21 ZINC000104310820 187292122 /nfs/dbraw/zinc/29/21/22/187292122.db2.gz FPUSONOMKVQOAU-SNVBAGLBSA-N 0 1 232.331 2.497 10 0 BEAEMN COC(=O)[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000050347493 344784029 /nfs/dbraw/zinc/78/40/29/344784029.db2.gz HKZJETMHPJLVNF-SNVBAGLBSA-N 0 1 227.348 2.306 10 0 BEAEMN C[C@@H]1CO[C@H](c2csc(Cl)c2)CN1 ZINC000235338724 344887256 /nfs/dbraw/zinc/88/72/56/344887256.db2.gz LSERJZILOLLMQI-SVRRBLITSA-N 0 1 217.721 2.451 10 0 BEAEMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C1CCCC1 ZINC000235351569 344893599 /nfs/dbraw/zinc/89/35/99/344893599.db2.gz PYOIGSSHCVOJJY-NXEZZACHSA-N 0 1 211.305 2.114 10 0 BEAEMN COc1cc(Br)ccc1[C@@H](N)CF ZINC000238456964 345049646 /nfs/dbraw/zinc/04/96/46/345049646.db2.gz VCUWVMFRWSFDRC-QMMMGPOBSA-N 0 1 248.095 2.427 10 0 BEAEMN CCc1nc(-c2cccs2)oc1CN ZINC000238306903 345018514 /nfs/dbraw/zinc/01/85/14/345018514.db2.gz CDBITLBJSVFZJV-UHFFFAOYSA-N 0 1 208.286 2.424 10 0 BEAEMN Cc1cncc2n[nH]c(Br)c21 ZINC000238543373 345074194 /nfs/dbraw/zinc/07/41/94/345074194.db2.gz XXDCPRQOYFXLNP-UHFFFAOYSA-N 0 1 212.050 2.029 10 0 BEAEMN CCC[C@@H](C)CN(CCC)CC(=O)OC ZINC000051323756 345401378 /nfs/dbraw/zinc/40/13/78/345401378.db2.gz JJBSQYOZMAGSMW-LLVKDONJSA-N 0 1 215.337 2.308 10 0 BEAEMN OCCC1=CCN(Cc2ccc(F)cc2)CC1 ZINC000034557983 345831346 /nfs/dbraw/zinc/83/13/46/345831346.db2.gz QRLIBFSEEWFEIN-UHFFFAOYSA-N 0 1 235.302 2.340 10 0 BEAEMN CC(=O)Nc1ccc(C[NH2+]C(C)(C)C)c([O-])c1 ZINC000034567074 345832220 /nfs/dbraw/zinc/83/22/20/345832220.db2.gz DOKVBTMAHUKANW-UHFFFAOYSA-N 0 1 236.315 2.239 10 0 BEAEMN Clc1cccnc1N1CCN2CCC1CC2 ZINC000033979961 345961207 /nfs/dbraw/zinc/96/12/07/345961207.db2.gz LREZPSZJVBJXKM-UHFFFAOYSA-N 0 1 237.734 2.019 10 0 BEAEMN C[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790548 345938202 /nfs/dbraw/zinc/93/82/02/345938202.db2.gz QMNJMLCCYQHCSA-YPMHNXCESA-N 0 1 233.311 2.024 10 0 BEAEMN C[C@H](NC(=O)C(F)(F)F)c1ccc(C=O)cc1 ZINC000095698650 346080462 /nfs/dbraw/zinc/08/04/62/346080462.db2.gz MBNVQEVQGYQVEE-ZETCQYMHSA-N 0 1 245.200 2.239 10 0 BEAEMN FC(F)(F)c1cnc(Br)[nH]1 ZINC000034431448 346281667 /nfs/dbraw/zinc/28/16/67/346281667.db2.gz VFGFJTUKOPRNEJ-UHFFFAOYSA-N 0 1 214.972 2.191 10 0 BEAEMN Cc1cccc(CC(=O)[C@@H](N)CC(C)C)c1 ZINC000082366237 179053221 /nfs/dbraw/zinc/05/32/21/179053221.db2.gz LXEGCVDGSMSBNI-ZDUSSCGKSA-N 0 1 219.328 2.480 10 0 BEAEMN COC(=O)[C@H]1CCC[C@@H](c2ccccc2)C1=O ZINC000168771365 346743073 /nfs/dbraw/zinc/74/30/73/346743073.db2.gz SZKVDOPDAHZUIS-RYUDHWBXSA-N 0 1 232.279 2.312 10 0 BEAEMN C[N@@H+](C1CCCC1)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000250432646 362804886 /nfs/dbraw/zinc/80/48/86/362804886.db2.gz RKPWSNFVXQVJNK-MNOVXSKESA-N 0 1 211.305 2.114 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@H](C)CC1 ZINC000195116994 347442458 /nfs/dbraw/zinc/44/24/58/347442458.db2.gz YKGHXTDLALTKGJ-NSHDSACASA-N 0 1 236.363 2.228 10 0 BEAEMN Cc1nc(-c2ccccc2C)c(N)n1C ZINC000104848853 179238191 /nfs/dbraw/zinc/23/81/91/179238191.db2.gz YUYMUZFMQQWAES-UHFFFAOYSA-N 0 1 201.273 2.286 10 0 BEAEMN CC(C)Sc1nc[nH]c(=O)c1Br ZINC000159124024 347449385 /nfs/dbraw/zinc/44/93/85/347449385.db2.gz XGCZPVCIWVWOTG-UHFFFAOYSA-N 0 1 249.133 2.033 10 0 BEAEMN Cc1cc2nc(C(F)(F)C(F)F)nn2c(O)c1 ZINC000725243106 537991085 /nfs/dbraw/zinc/99/10/85/537991085.db2.gz KYLGBENABNIUQR-UHFFFAOYSA-N 0 1 249.167 2.100 10 0 BEAEMN CCOC(=O)[C@@H](C)N(C)CCCC1CCC1 ZINC000595374675 348232965 /nfs/dbraw/zinc/23/29/65/348232965.db2.gz AZEGYZPLWDQQGJ-LLVKDONJSA-N 0 1 227.348 2.450 10 0 BEAEMN C[C@@H](C1CCCC1)[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000251513641 362883631 /nfs/dbraw/zinc/88/36/31/362883631.db2.gz IRLNKZUXTSEVPF-ONGXEEELSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1cccnc1[C@@H](N)c1cccs1 ZINC000043616545 179397719 /nfs/dbraw/zinc/39/77/19/179397719.db2.gz FSJRCDGVGIPQIU-JTQLQIEISA-N 0 1 204.298 2.500 10 0 BEAEMN C[C@H]([C@H](C)C(=O)[O-])[N@H+]1CCCCC[C@@H]1C ZINC000222030806 350000179 /nfs/dbraw/zinc/00/01/79/350000179.db2.gz MPLVJDCHHOLBJM-GARJFASQSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)(C)[C@@H](N)c1nnc(C2CCC2)[nH]1 ZINC000616574621 349080361 /nfs/dbraw/zinc/08/03/61/349080361.db2.gz UFMGKAUKENZUBS-QMMMGPOBSA-N 0 1 208.309 2.118 10 0 BEAEMN Cc1csc(C2(NCC(C)(C)O)CCC2)n1 ZINC000264856725 179767800 /nfs/dbraw/zinc/76/78/00/179767800.db2.gz KUFFFTDFGRJECN-UHFFFAOYSA-N 0 1 240.372 2.191 10 0 BEAEMN Cc1cc(C(F)F)nc([C@H](N)C2CC2)n1 ZINC000616577690 349117822 /nfs/dbraw/zinc/11/78/22/349117822.db2.gz KROBRJYUPVSZSO-MRVPVSSYSA-N 0 1 213.231 2.132 10 0 BEAEMN C[C@@H](c1ccccc1)[C@@H](N)c1ncccn1 ZINC000725255287 538051177 /nfs/dbraw/zinc/05/11/77/538051177.db2.gz YRACVUZZXYMIFW-CMPLNLGQSA-N 0 1 213.284 2.280 10 0 BEAEMN Cc1nccc(N[C@H](C)[C@H](C)O)c1Cl ZINC000307142586 180204569 /nfs/dbraw/zinc/20/45/69/180204569.db2.gz KFPHZGVSVRXMRS-SVRRBLITSA-N 0 1 214.696 2.225 10 0 BEAEMN Cc1[nH+]ccn1[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000062757472 180271218 /nfs/dbraw/zinc/27/12/18/180271218.db2.gz LYSSJTCHCDJZNG-NXEZZACHSA-N 0 1 208.261 2.007 10 0 BEAEMN Cc1[nH+]ccn1[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062757471 180271703 /nfs/dbraw/zinc/27/17/03/180271703.db2.gz LYSSJTCHCDJZNG-UWVGGRQHSA-N 0 1 208.261 2.007 10 0 BEAEMN C[C@@H]1CCCCC[N@H+]1[C@@H](C(=O)[O-])C1CC1 ZINC000226494765 350436699 /nfs/dbraw/zinc/43/66/99/350436699.db2.gz JIHFJSLRKGWQDF-MWLCHTKSSA-N 0 1 211.305 2.114 10 0 BEAEMN CCc1ccc(C(=O)C2(N)CCC2)cc1 ZINC000226780953 350453762 /nfs/dbraw/zinc/45/37/62/350453762.db2.gz AHLDGWHCPLBLNF-UHFFFAOYSA-N 0 1 203.285 2.313 10 0 BEAEMN CC[N@H+]1CCO[C@@H](c2ccccc2C(=O)[O-])CC1 ZINC000616593386 350580561 /nfs/dbraw/zinc/58/05/61/350580561.db2.gz JMIXGEMELSJSBR-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC[N@H+]1CCO[C@@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616593968 350584263 /nfs/dbraw/zinc/58/42/63/350584263.db2.gz NILRUVAKKBXJKF-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)(C)[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000616615101 350845612 /nfs/dbraw/zinc/84/56/12/350845612.db2.gz CHSRHAGGISJANB-VIFPVBQESA-N 0 1 208.309 2.130 10 0 BEAEMN CC(C)(C)N1CCCC[C@H]1c1nc[nH]n1 ZINC000616615101 350845614 /nfs/dbraw/zinc/84/56/14/350845614.db2.gz CHSRHAGGISJANB-VIFPVBQESA-N 0 1 208.309 2.130 10 0 BEAEMN CCn1ccnc1N[C@@H]1CS[C@H](C)C1 ZINC000306746318 350934811 /nfs/dbraw/zinc/93/48/11/350934811.db2.gz JZUUNDXPRAHMHH-BDAKNGLRSA-N 0 1 211.334 2.209 10 0 BEAEMN N[C@@H](c1nccs1)[C@H]1CCCSC1 ZINC000306796647 351047642 /nfs/dbraw/zinc/04/76/42/351047642.db2.gz WVHHXVNHSOQDIF-JGVFFNPUSA-N 0 1 214.359 2.286 10 0 BEAEMN CCOC(=O)N1CCCC[C@@H](c2cnc[nH]2)C1 ZINC000616655500 351192779 /nfs/dbraw/zinc/19/27/79/351192779.db2.gz XIYNRXFYCLSGNY-SNVBAGLBSA-N 0 1 237.303 2.136 10 0 BEAEMN CC(C)(C)N1CCCOC[C@@H]1c1cnco1 ZINC000616647287 351164956 /nfs/dbraw/zinc/16/49/56/351164956.db2.gz XDXVSWJSNPNVNU-SNVBAGLBSA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)N1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616646003 351169698 /nfs/dbraw/zinc/16/96/98/351169698.db2.gz WFAAAENKHJBAIU-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CN1CCCOC[C@H]1c1ccc(F)cc1 ZINC000616650013 351173273 /nfs/dbraw/zinc/17/32/73/351173273.db2.gz VBDSOHZCWXTQEN-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CC[N@H+]1CCCO[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616650090 351173531 /nfs/dbraw/zinc/17/35/31/351173531.db2.gz SSJLBKOVFOOEDT-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CN1CCc2ccccc2[C@H]1c1ccc(N)nc1 ZINC000616678695 351249014 /nfs/dbraw/zinc/24/90/14/351249014.db2.gz BZHXSTINANRKQR-OAHLLOKOSA-N 0 1 239.322 2.071 10 0 BEAEMN COc1ccccc1[C@@H]1CCN(C)CCO1 ZINC000616684174 351255182 /nfs/dbraw/zinc/25/51/82/351255182.db2.gz FNXQNSRBYMFMFP-ZDUSSCGKSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)(C)N1CCOCC[C@@H]1c1cnoc1 ZINC000616655600 351200477 /nfs/dbraw/zinc/20/04/77/351200477.db2.gz HGYWCXRDQVIBEI-LLVKDONJSA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)[N@H+]1CCOCC[C@H]1c1cnoc1 ZINC000616656066 351201316 /nfs/dbraw/zinc/20/13/16/351201316.db2.gz HGYWCXRDQVIBEI-NSHDSACASA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)N1CCOCC[C@H]1c1cnoc1 ZINC000616656066 351201319 /nfs/dbraw/zinc/20/13/19/351201319.db2.gz HGYWCXRDQVIBEI-NSHDSACASA-N 0 1 224.304 2.237 10 0 BEAEMN FC(F)[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616662532 351218335 /nfs/dbraw/zinc/21/83/35/351218335.db2.gz IPWKXNVLJJKTCX-GFCCVEGCSA-N 0 1 241.281 2.400 10 0 BEAEMN CN[C@H](c1ccsn1)[C@@]1(C)C[C@@H]1F ZINC000306917435 351328726 /nfs/dbraw/zinc/32/87/26/351328726.db2.gz YANMADMMCCSBLG-YIZRAAEISA-N 0 1 200.282 2.152 10 0 BEAEMN C[C@@H]1CCCCN1CC(=O)c1ccc[nH]1 ZINC000034989869 351377171 /nfs/dbraw/zinc/37/71/71/351377171.db2.gz TZHHXRNDJWKDKO-SNVBAGLBSA-N 0 1 206.289 2.072 10 0 BEAEMN C[N@@H+](/C=C/C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000306938764 351360399 /nfs/dbraw/zinc/36/03/99/351360399.db2.gz JYSOTIXEFCNVEC-SZOOLBNJSA-N 0 1 209.289 2.095 10 0 BEAEMN N[C@H](c1cn[nH]c1)c1sccc1Cl ZINC000307056908 351456273 /nfs/dbraw/zinc/45/62/73/351456273.db2.gz DOVFDHMAQATGTJ-SSDOTTSWSA-N 0 1 213.693 2.173 10 0 BEAEMN Brc1ccoc1[C@H]1C=CCN1 ZINC000307003185 351413836 /nfs/dbraw/zinc/41/38/36/351413836.db2.gz DDJSJILZDDOUKA-SSDOTTSWSA-N 0 1 214.062 2.243 10 0 BEAEMN N[C@H](c1ccc[nH]1)c1ccoc1Br ZINC000307145452 351499039 /nfs/dbraw/zinc/49/90/39/351499039.db2.gz GNCDTASSIYDCAG-QMMMGPOBSA-N 0 1 241.088 2.418 10 0 BEAEMN CC(=O)c1cc(Br)cc(O)c1F ZINC000307165626 351531817 /nfs/dbraw/zinc/53/18/17/351531817.db2.gz NHNMNNAGPAPWLI-UHFFFAOYSA-N 0 1 233.036 2.496 10 0 BEAEMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386942701 363073763 /nfs/dbraw/zinc/07/37/63/363073763.db2.gz HPKUMXLCLDGFQY-BDAKNGLRSA-N 0 1 238.287 2.136 10 0 BEAEMN C[C@@]1([C@@H](N)c2nccs2)CCCS1 ZINC000307247455 351752422 /nfs/dbraw/zinc/75/24/22/351752422.db2.gz MSMGXBNPIMDOEQ-CBAPKCEASA-N 0 1 214.359 2.429 10 0 BEAEMN Cn1ncc(Cl)c1C(O)=C1CC(F)(F)C1 ZINC000307249935 351757637 /nfs/dbraw/zinc/75/76/37/351757637.db2.gz OZOCVYAGXFRADA-UHFFFAOYSA-N 0 1 234.633 2.302 10 0 BEAEMN N[C@@H](Cc1sccc1Cl)c1cnns1 ZINC000307287575 351850928 /nfs/dbraw/zinc/85/09/28/351850928.db2.gz UYZYFWHJESDEBM-LURJTMIESA-N 0 1 245.760 2.496 10 0 BEAEMN CCN1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000389481517 352363960 /nfs/dbraw/zinc/36/39/60/352363960.db2.gz XMLQBEIRZHLOHX-MRVPVSSYSA-N 0 1 241.316 2.162 10 0 BEAEMN CC(C)(C)C(=O)Nc1ccc2[nH]c(CN)nc2c1 ZINC000725271150 538103263 /nfs/dbraw/zinc/10/32/63/538103263.db2.gz IALZJRKUJWGEEV-UHFFFAOYSA-N 0 1 246.314 2.006 10 0 BEAEMN CSC(C)(C)CN1CCC(=O)C[C@@H]1C ZINC000229113737 352586438 /nfs/dbraw/zinc/58/64/38/352586438.db2.gz GADQIWNRDHBEEB-VIFPVBQESA-N 0 1 215.362 2.181 10 0 BEAEMN O=C([O-])[C@H]1CCCCCC[N@H+]1C/C=C/Cl ZINC000300984022 352582114 /nfs/dbraw/zinc/58/21/14/352582114.db2.gz INGCNWMLPJCKEL-BREXMAIKSA-N 0 1 231.723 2.458 10 0 BEAEMN CC(C)(C)Nc1ncc(Cl)c(=O)[nH]1 ZINC000307545260 352644264 /nfs/dbraw/zinc/64/42/64/352644264.db2.gz JHOSOPYCMSQTML-UHFFFAOYSA-N 0 1 201.657 2.046 10 0 BEAEMN C[C@@H]1NCCC[C@]1(F)c1ccns1 ZINC000307606902 352668242 /nfs/dbraw/zinc/66/82/42/352668242.db2.gz BUCNUQHUYCGTSE-IONNQARKSA-N 0 1 200.282 2.080 10 0 BEAEMN CC[C@@](C)(C(C)=O)N1CCSC[C@@H]1C ZINC000307618593 352675699 /nfs/dbraw/zinc/67/56/99/352675699.db2.gz ZCKKCZGAIKRQTM-ONGXEEELSA-N 0 1 215.362 2.181 10 0 BEAEMN CN[C@H](c1ccsn1)[C@]1(C)C[C@@H]1F ZINC000306917430 353045097 /nfs/dbraw/zinc/04/50/97/353045097.db2.gz YANMADMMCCSBLG-DJLDLDEBSA-N 0 1 200.282 2.152 10 0 BEAEMN COc1ccc([C@@H](N)c2cscn2)cc1 ZINC000062354766 188014104 /nfs/dbraw/zinc/01/41/04/188014104.db2.gz NMOKYPKIFNCGFP-LLVKDONJSA-N 0 1 220.297 2.200 10 0 BEAEMN CC(C)[N@H+]1CCNC[C@H]1c1cccs1 ZINC000077304297 188048280 /nfs/dbraw/zinc/04/82/80/188048280.db2.gz GDVXSKWGSCBVHS-JTQLQIEISA-N 0 1 210.346 2.103 10 0 BEAEMN CC(C)(C)C[N@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127667785 353274617 /nfs/dbraw/zinc/27/46/17/353274617.db2.gz TUBFVJWXKCLSQW-LBPRGKRZSA-N 0 1 213.321 2.362 10 0 BEAEMN Cc1cc(Cl)cc2c(N)c(C(=O)[O-])c[nH+]c12 ZINC000047913074 188297286 /nfs/dbraw/zinc/29/72/86/188297286.db2.gz XAJFQEZVBNGETG-UHFFFAOYSA-N 0 1 236.658 2.477 10 0 BEAEMN CC(C)(C)c1nnc(-c2cc(N)ccc2O)[nH]1 ZINC000072237596 188307019 /nfs/dbraw/zinc/30/70/19/188307019.db2.gz VLINVQWKQMIORT-UHFFFAOYSA-N 0 1 232.287 2.057 10 0 BEAEMN NCc1csc(-c2ncc(Cl)s2)n1 ZINC000223216193 353360650 /nfs/dbraw/zinc/36/06/50/353360650.db2.gz ZKIFHGHPOJQUQD-UHFFFAOYSA-N 0 1 231.733 2.379 10 0 BEAEMN CCC(CC)n1ccc(CN[C@@H](C)COC)n1 ZINC000085172469 538115871 /nfs/dbraw/zinc/11/58/71/538115871.db2.gz BMHLOPIBYUTDPY-NSHDSACASA-N 0 1 239.363 2.369 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@@H+](C)C1CCCCC1 ZINC000011799111 188339365 /nfs/dbraw/zinc/33/93/65/188339365.db2.gz YCHPYGDHSBEPPI-LLVKDONJSA-N 0 1 213.321 2.360 10 0 BEAEMN CCC(C(=O)C(C)(F)F)=C(O)C1CC1 ZINC000308508254 538116859 /nfs/dbraw/zinc/11/68/59/538116859.db2.gz AWCZWSVNCLZMKR-ZETCQYMHSA-N 0 1 204.216 2.216 10 0 BEAEMN CC(C)C[C@@H](N)C(=O)c1cccc(F)c1 ZINC000071511525 188363984 /nfs/dbraw/zinc/36/39/84/188363984.db2.gz XRXBPYWURDNFRW-LLVKDONJSA-N 0 1 209.264 2.382 10 0 BEAEMN C[C@H](O)CNc1nc2ccc(Cl)cc2[nH]1 ZINC000026474110 353797209 /nfs/dbraw/zinc/79/72/09/353797209.db2.gz FKHULXLAMAWWST-LURJTMIESA-N 0 1 225.679 2.009 10 0 BEAEMN CC1=NC(=S)N([C@H]2CCOC[C@@H]2C)C1 ZINC000301028274 363340882 /nfs/dbraw/zinc/34/08/82/363340882.db2.gz QGRBIPVSMMYLAE-CBAPKCEASA-N 0 1 212.318 2.078 10 0 BEAEMN Cc1nnc([C@H](C)N2CC3(CCC3)C[C@@H]2C)[nH]1 ZINC000334645876 354435802 /nfs/dbraw/zinc/43/58/02/354435802.db2.gz PQMYGWOJJRBDTF-UWVGGRQHSA-N 0 1 234.347 2.439 10 0 BEAEMN CC[N@@H+]1CCC[C@@H](NCc2ccccc2OC)C1 ZINC000040502036 358492867 /nfs/dbraw/zinc/49/28/67/358492867.db2.gz KXHQRPZSIMGRFQ-CQSZACIVSA-N 0 1 248.370 2.269 10 0 BEAEMN CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000040502182 358493324 /nfs/dbraw/zinc/49/33/24/358493324.db2.gz FKGLHLPHZGNEAS-QWHCGFSZSA-N 0 1 233.359 2.217 10 0 BEAEMN N=C(N)c1c(F)ccc(Cl)c1Cl ZINC000075915130 181193076 /nfs/dbraw/zinc/19/30/76/181193076.db2.gz OJNFEWPKFHABLO-UHFFFAOYSA-N 0 1 207.035 2.417 10 0 BEAEMN COc1csc([C@@H](N)C2=CCCO2)c1 ZINC000168470408 355841041 /nfs/dbraw/zinc/84/10/41/355841041.db2.gz TVUINDAGQKOFJI-JTQLQIEISA-N 0 1 211.286 2.061 10 0 BEAEMN N[C@H](C1=CCCO1)c1ccncc1Cl ZINC000168449434 355830664 /nfs/dbraw/zinc/83/06/64/355830664.db2.gz QBXRHQXJIPOFAW-JTQLQIEISA-N 0 1 210.664 2.039 10 0 BEAEMN C[C@@H](C(=O)Nc1nc(CN)cs1)C(C)(C)C ZINC000675073639 538505612 /nfs/dbraw/zinc/50/56/12/538505612.db2.gz RHHAEYXLSZZBPG-ZETCQYMHSA-N 0 1 241.360 2.223 10 0 BEAEMN CC(C)(N)C(=O)c1ccc(Cl)s1 ZINC000168661270 356890566 /nfs/dbraw/zinc/89/05/66/356890566.db2.gz BPTOIODHNLZULU-UHFFFAOYSA-N 0 1 203.694 2.322 10 0 BEAEMN c1coc(CNC[C@H]2COc3ccccc3O2)c1 ZINC000020137714 356998640 /nfs/dbraw/zinc/99/86/40/356998640.db2.gz IAJZNWNSVDETPX-LBPRGKRZSA-N 0 1 245.278 2.209 10 0 BEAEMN CCOc1ccc2nc(CC[C@H](C)O)[nH]c2c1 ZINC000026462141 357135722 /nfs/dbraw/zinc/13/57/22/357135722.db2.gz JRSGGVWMLVQNHE-VIFPVBQESA-N 0 1 234.299 2.275 10 0 BEAEMN Cc1nc(Sc2csc(C=O)c2)n[nH]1 ZINC000160638585 357151536 /nfs/dbraw/zinc/15/15/36/357151536.db2.gz PNQJXWVDIPLBGF-UHFFFAOYSA-N 0 1 225.298 2.138 10 0 BEAEMN Cc1n[nH]c(Sc2csc(C=O)c2)n1 ZINC000160638585 357151539 /nfs/dbraw/zinc/15/15/39/357151539.db2.gz PNQJXWVDIPLBGF-UHFFFAOYSA-N 0 1 225.298 2.138 10 0 BEAEMN Cc1ccc(C)c(CN2CCCNC(=O)[C@H]2C)c1 ZINC000189074476 357603120 /nfs/dbraw/zinc/60/31/20/357603120.db2.gz LGBLPSKBEGASLP-CYBMUJFWSA-N 0 1 246.354 2.014 10 0 BEAEMN CCCCC(=O)Cc1cccc2[nH]nnc21 ZINC000584612954 358277123 /nfs/dbraw/zinc/27/71/23/358277123.db2.gz YFOYDMRKQFTRQT-UHFFFAOYSA-N 0 1 217.272 2.260 10 0 BEAEMN COc1cccc(F)c1[C@H](C)N[C@@H]1CCOC1 ZINC000135148476 358822289 /nfs/dbraw/zinc/82/22/89/358822289.db2.gz HEUNTEZMGIVPCE-VHSXEESVSA-N 0 1 239.290 2.274 10 0 BEAEMN C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(C)(C)C ZINC000135510315 358841897 /nfs/dbraw/zinc/84/18/97/358841897.db2.gz BSUOXOBRXWVAOI-UWVGGRQHSA-N 0 1 249.358 2.380 10 0 BEAEMN C[C@H]1COC[C@H](C)N1Cc1ccccc1N(C)C ZINC000072685989 359088370 /nfs/dbraw/zinc/08/83/70/359088370.db2.gz COQOVUBRTRVHQB-STQMWFEESA-N 0 1 248.370 2.362 10 0 BEAEMN C[C@@H]1[C@H](c2ccccc2)CCN1[C@H]1CCOC1=O ZINC000246560585 359146241 /nfs/dbraw/zinc/14/62/41/359146241.db2.gz UTNCXEZIOWVBIZ-BNOWGMLFSA-N 0 1 245.322 2.180 10 0 BEAEMN Cc1nnc([C@@]2(N)CCC[C@@H](C)C2)s1 ZINC000306217509 359331353 /nfs/dbraw/zinc/33/13/53/359331353.db2.gz DCDRXVXHNQAAGT-GMSGAONNSA-N 0 1 211.334 2.211 10 0 BEAEMN COc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000306271185 359502781 /nfs/dbraw/zinc/50/27/81/359502781.db2.gz RNBKBJOSUFZEAW-UHFFFAOYSA-N 0 1 200.600 2.364 10 0 BEAEMN Nc1cncc(Cl)c1NCCCF ZINC000306529034 360378168 /nfs/dbraw/zinc/37/81/68/360378168.db2.gz HPRTZGSLCLFJPJ-UHFFFAOYSA-N 0 1 203.648 2.089 10 0 BEAEMN CCn1cnc([C@@H](N)c2cccs2)c1 ZINC000306551133 360424768 /nfs/dbraw/zinc/42/47/68/360424768.db2.gz ZTGKLXOBVDQOFS-SNVBAGLBSA-N 0 1 207.302 2.013 10 0 BEAEMN CCOC(=O)C(=C(O)CC)c1ccccc1 ZINC000079520991 370668994 /nfs/dbraw/zinc/66/89/94/370668994.db2.gz BHZOYDWMQNKDNV-LBPRGKRZSA-N 0 1 220.268 2.312 10 0 BEAEMN COC(=O)Cc1cc(Cl)cc(O)c1Cl ZINC000306594746 360514198 /nfs/dbraw/zinc/51/41/98/360514198.db2.gz DQPDJCYIKZBREI-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN CCN[C@@H](C)c1cn(C2CCCCC2)nn1 ZINC000381060306 360576282 /nfs/dbraw/zinc/57/62/82/360576282.db2.gz KVCAIZSPJMQQRO-JTQLQIEISA-N 0 1 222.336 2.454 10 0 BEAEMN Cc1ccc([C@H]2COC(=N)N2)cc1Cl ZINC000169698888 360930667 /nfs/dbraw/zinc/93/06/67/360930667.db2.gz VSQWMMRTAVQJNH-SECBINFHSA-N 0 1 210.664 2.034 10 0 BEAEMN C/C=C/C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000138689409 361100884 /nfs/dbraw/zinc/10/08/84/361100884.db2.gz JRLXALXGIIJHTR-NSCUHMNNSA-N 0 1 230.355 2.380 10 0 BEAEMN C/C=C/CN1CCN(Cc2ccccc2)CC1 ZINC000138689409 361100887 /nfs/dbraw/zinc/10/08/87/361100887.db2.gz JRLXALXGIIJHTR-NSCUHMNNSA-N 0 1 230.355 2.380 10 0 BEAEMN c1csc(Cc2nc(C3CC3)n[nH]2)c1 ZINC000041057738 361215444 /nfs/dbraw/zinc/21/54/44/361215444.db2.gz UJBKKJSCLXPNAJ-UHFFFAOYSA-N 0 1 205.286 2.334 10 0 BEAEMN Cc1nc(C)c([C@@H]2NC[C@H](C)S2)s1 ZINC000306637895 361585267 /nfs/dbraw/zinc/58/52/67/361585267.db2.gz MQRGHSJUQWQQRV-SSDLBLMSSA-N 0 1 214.359 2.483 10 0 BEAEMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C1CCCCC1 ZINC000070618119 361637806 /nfs/dbraw/zinc/63/78/06/361637806.db2.gz NLSMLAXULLHENU-LBPRGKRZSA-N 0 1 211.305 2.258 10 0 BEAEMN CC(C)(C)c1nnc([C@@H](N)C(C)(C)C)[nH]1 ZINC000675060542 541464019 /nfs/dbraw/zinc/46/40/19/541464019.db2.gz IFRBIZZBMGXKDK-SSDOTTSWSA-N 0 1 210.325 2.148 10 0 BEAEMN CN1CCC(/C=C/Br)CC1 ZINC000685964067 541498114 /nfs/dbraw/zinc/49/81/14/541498114.db2.gz SWKNZVAUCAXIOK-GORDUTHDSA-N 0 1 204.111 2.237 10 0 BEAEMN COC(=O)c1cccnc1CN1CC[C@@H](C)[C@@H]1C ZINC000380589989 367247869 /nfs/dbraw/zinc/24/78/69/367247869.db2.gz TWYRQCVSXRFTSK-MNOVXSKESA-N 0 1 248.326 2.099 10 0 BEAEMN Nc1nc2[nH]nc(-c3ccccc3)c2c(Cl)n1 ZINC000200044226 368353689 /nfs/dbraw/zinc/35/36/89/368353689.db2.gz FYBBSLFJNIOTQW-UHFFFAOYSA-N 0 1 245.673 2.256 10 0 BEAEMN CC(C)C[C@](C)(N)C(=O)OC(C)(C)C ZINC000080434236 368507376 /nfs/dbraw/zinc/50/73/76/368507376.db2.gz YWLNXAREFLBDMQ-NSHDSACASA-N 0 1 201.310 2.092 10 0 BEAEMN CCC[C@H]1Cn2c(=O)[nH]c3cccc(c32)CN1 ZINC000006381370 369046309 /nfs/dbraw/zinc/04/63/09/369046309.db2.gz QSULKPHFKMWJAK-JTQLQIEISA-N 0 1 231.299 2.014 10 0 BEAEMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1Cc2ccccc21 ZINC000090978138 369003364 /nfs/dbraw/zinc/00/33/64/369003364.db2.gz NQSWIEOEZJKARJ-ZDUSSCGKSA-N 0 1 247.338 2.369 10 0 BEAEMN CCCC[N@@H+](CC)[C@H](C(=O)[O-])C(C)C ZINC000011864703 168800938 /nfs/dbraw/zinc/80/09/38/168800938.db2.gz CODHOTAATMGGGT-JTQLQIEISA-N 0 1 201.310 2.218 10 0 BEAEMN C[C@H]1C[C@@H]1NCc1ccncc1Br ZINC000631063953 371241314 /nfs/dbraw/zinc/24/13/14/371241314.db2.gz PDGPHGRMHKYNBW-XVKPBYJWSA-N 0 1 241.132 2.342 10 0 BEAEMN C[C@@H]1C[C@H]1NCc1ccncc1Br ZINC000631063946 371241624 /nfs/dbraw/zinc/24/16/24/371241624.db2.gz PDGPHGRMHKYNBW-GMSGAONNSA-N 0 1 241.132 2.342 10 0 BEAEMN FC(F)(Br)[C@@]1(F)CCCNC1 ZINC000225683742 371566202 /nfs/dbraw/zinc/56/62/02/371566202.db2.gz PLBDPJSTPZCEAD-RXMQYKEDSA-N 0 1 232.043 2.066 10 0 BEAEMN Nc1nc(-c2ccc(O)c(Cl)c2)ns1 ZINC000043477002 181775554 /nfs/dbraw/zinc/77/55/54/181775554.db2.gz BQHGOJJSAFRNHN-UHFFFAOYSA-N 0 1 227.676 2.146 10 0 BEAEMN C[C@@H](c1nccs1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398323 371660890 /nfs/dbraw/zinc/66/08/90/371660890.db2.gz DEYRKDJKGNULEA-DTWKUNHWSA-N 0 1 240.328 2.001 10 0 BEAEMN COC(=O)Cc1cc(O)c(Cl)cc1Cl ZINC000215940439 371662309 /nfs/dbraw/zinc/66/23/09/371662309.db2.gz OPXNKDNOXQUKNE-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN Nc1nc2c(s1)c(Cl)ccc2O ZINC000095932672 181790622 /nfs/dbraw/zinc/79/06/22/181790622.db2.gz VGVGECBOPBNZJS-UHFFFAOYSA-N 0 1 200.650 2.238 10 0 BEAEMN CC(=O)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000216128956 371702119 /nfs/dbraw/zinc/70/21/19/371702119.db2.gz AFHZOGSYMSTZRH-TZGMSPROSA-N 0 1 201.697 2.040 10 0 BEAEMN C[C@@H]1C[C@@]2(CS1)NCC[C@@H](C)S2 ZINC000226587973 371702349 /nfs/dbraw/zinc/70/23/49/371702349.db2.gz MHVFYYARFOZKRK-IWSPIJDZSA-N 0 1 203.376 2.323 10 0 BEAEMN CC(C)(N)C(=O)c1cc2ccccc2o1 ZINC000132133288 371755476 /nfs/dbraw/zinc/75/54/76/371755476.db2.gz JHDSVSSESNGMIE-UHFFFAOYSA-N 0 1 203.241 2.353 10 0 BEAEMN C[C@@H]1SCCN(CC(=O)C(C)(C)C)[C@H]1C ZINC000132579544 371864521 /nfs/dbraw/zinc/86/45/21/371864521.db2.gz LFIWGJYQUSBQSK-UWVGGRQHSA-N 0 1 229.389 2.427 10 0 BEAEMN C[C@@H]1SCCN([C@@H]2CCCCC2=O)[C@H]1C ZINC000132576230 371864812 /nfs/dbraw/zinc/86/48/12/371864812.db2.gz LLLIYYDNPXRMSY-GARJFASQSA-N 0 1 227.373 2.324 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000227992566 371969540 /nfs/dbraw/zinc/96/95/40/371969540.db2.gz QDPWJZWIAVRMET-HBNTYKKESA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1sccc1C(=O)[C@H]1CCCCN1 ZINC000227878516 371951309 /nfs/dbraw/zinc/95/13/09/371951309.db2.gz DKBQWOVOKUNXFO-SNVBAGLBSA-N 0 1 209.314 2.381 10 0 BEAEMN CC1=NC(=S)N([C@@H]2CCSC2)C1 ZINC000231375064 372022341 /nfs/dbraw/zinc/02/23/41/372022341.db2.gz CHVHDJRTJHELNY-SSDOTTSWSA-N 0 1 200.332 2.158 10 0 BEAEMN C[C@H](N)c1nc(-c2cncs2)cs1 ZINC000229138946 372122030 /nfs/dbraw/zinc/12/20/30/372122030.db2.gz RUHDJZTYDFEFQM-YFKPBYRVSA-N 0 1 211.315 2.286 10 0 BEAEMN O=C(CNC1CC1)c1ccc(Cl)cc1 ZINC000041612159 181975794 /nfs/dbraw/zinc/97/57/94/181975794.db2.gz QYHDHLWATJQQLQ-UHFFFAOYSA-N 0 1 209.676 2.275 10 0 BEAEMN CC(C)(C)[C@H]1CCc2nc(C=O)[nH]c2C1 ZINC000068945606 373095395 /nfs/dbraw/zinc/09/53/95/373095395.db2.gz ZCKGHWJARIRQKU-QMMMGPOBSA-N 0 1 206.289 2.373 10 0 BEAEMN OCCCCCc1nc2ccc(F)cc2[nH]1 ZINC000026462231 183049139 /nfs/dbraw/zinc/04/91/39/183049139.db2.gz UUHFKXHYCRVPEH-UHFFFAOYSA-N 0 1 222.263 2.407 10 0 BEAEMN OCCCN1CC=C(c2ccccc2F)CC1 ZINC000127606862 183054559 /nfs/dbraw/zinc/05/45/59/183054559.db2.gz XXUIHPLTDJHNPJ-UHFFFAOYSA-N 0 1 235.302 2.297 10 0 BEAEMN CCCN(C(=O)[C@@H](N)c1ccccc1)C1CC1 ZINC000037097402 169045039 /nfs/dbraw/zinc/04/50/39/169045039.db2.gz AIWCRLNUJRVRJI-ZDUSSCGKSA-N 0 1 232.327 2.087 10 0 BEAEMN OCc1cnc(-c2ccc3ccccc3n2)[nH]1 ZINC000063076646 183160507 /nfs/dbraw/zinc/16/05/07/183160507.db2.gz IAUPFYIPVDAVTJ-UHFFFAOYSA-N 0 1 225.251 2.117 10 0 BEAEMN O[C@@H]1CN[C@H](c2ccccc2)c2ccccc21 ZINC000082294027 183208748 /nfs/dbraw/zinc/20/87/48/183208748.db2.gz CJDAAEDVKRKQSN-HUUCEWRRSA-N 0 1 225.291 2.413 10 0 BEAEMN CCC[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052448328 169130218 /nfs/dbraw/zinc/13/02/18/169130218.db2.gz QEXNFFUXQGZYRC-UHFFFAOYSA-N 0 1 239.363 2.405 10 0 BEAEMN Oc1ccc2c(c1)CCN[C@H]2c1cccnc1 ZINC000035086932 183280635 /nfs/dbraw/zinc/28/06/35/183280635.db2.gz ZOFDCRNANURLMT-AWEZNQCLSA-N 0 1 226.279 2.022 10 0 BEAEMN Oc1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000096879772 183287379 /nfs/dbraw/zinc/28/73/79/183287379.db2.gz FSJSYJHJENQRKL-NSHDSACASA-N 0 1 245.282 2.257 10 0 BEAEMN CCC[N@H+]1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592204 169210277 /nfs/dbraw/zinc/21/02/77/169210277.db2.gz YGPLUMOKNPDQIP-JTQLQIEISA-N 0 1 225.313 2.142 10 0 BEAEMN c1cc(CNCc2cccc3cnccc32)n[nH]1 ZINC000061125462 183352660 /nfs/dbraw/zinc/35/26/60/183352660.db2.gz RKRMMZVWVORFKX-UHFFFAOYSA-N 0 1 238.294 2.248 10 0 BEAEMN c1cc2c(s1)CCN[C@H]2c1ccncc1 ZINC000066054610 183362498 /nfs/dbraw/zinc/36/24/98/183362498.db2.gz RMRXFOSAHNDPSB-LBPRGKRZSA-N 0 1 216.309 2.378 10 0 BEAEMN CCCNCc1nnc(-c2ccccc2F)o1 ZINC000050615692 169269001 /nfs/dbraw/zinc/26/90/01/169269001.db2.gz RBTQYNHXZCGRQX-UHFFFAOYSA-N 0 1 235.262 2.375 10 0 BEAEMN CCCNCc1nnc(-c2ccc(C)nc2C)o1 ZINC000055331754 169269845 /nfs/dbraw/zinc/26/98/45/169269845.db2.gz OYCSLRDZMGKCIH-UHFFFAOYSA-N 0 1 246.314 2.248 10 0 BEAEMN CCCN[C@@H](C)c1csc(NC(C)=O)n1 ZINC000076784994 169276679 /nfs/dbraw/zinc/27/66/79/169276679.db2.gz YXYKXZBVLNGRLG-ZETCQYMHSA-N 0 1 227.333 2.162 10 0 BEAEMN CCCOC(=O)c1cc2cn[nH]c2cc1C ZINC000089196882 169300999 /nfs/dbraw/zinc/30/09/99/169300999.db2.gz SDUYFTKWJSDKNK-UHFFFAOYSA-N 0 1 218.256 2.438 10 0 BEAEMN CCCOc1ccc([C@@H](N)c2cnccn2)cc1 ZINC000055263598 169321831 /nfs/dbraw/zinc/32/18/31/169321831.db2.gz DNMDJJSVHAJXOE-CQSZACIVSA-N 0 1 243.310 2.314 10 0 BEAEMN CCC[C@@H](C(=O)Nc1ccsc1)N(C)C ZINC000162187973 169346128 /nfs/dbraw/zinc/34/61/28/169346128.db2.gz VZOGVFBVNYVQDE-JTQLQIEISA-N 0 1 226.345 2.417 10 0 BEAEMN CCC[C@@H](C)CC[C@@]1(C)OC(=O)NC1=O ZINC000005837838 169357898 /nfs/dbraw/zinc/35/78/98/169357898.db2.gz WTMATTBWCQWUPJ-LDYMZIIASA-N 0 1 213.277 2.228 10 0 BEAEMN CCC[N@H+](CC(=O)[O-])C[C@H]1Cc2ccccc21 ZINC000090978079 383923144 /nfs/dbraw/zinc/92/31/44/383923144.db2.gz KNMAOFLPMIFBDT-GFCCVEGCSA-N 0 1 233.311 2.123 10 0 BEAEMN CCOc1cccc(CNCc2cncnc2)c1 ZINC000054767897 383978258 /nfs/dbraw/zinc/97/82/58/383978258.db2.gz AWIPQALGZSMNNL-UHFFFAOYSA-N 0 1 243.310 2.165 10 0 BEAEMN Cc1ccc(O)c(CN[C@@H](C)c2cccnc2)n1 ZINC000112716372 383944239 /nfs/dbraw/zinc/94/42/39/383944239.db2.gz PORMEYNWBRQYED-NSHDSACASA-N 0 1 243.310 2.341 10 0 BEAEMN Cc1ccc(O)c(CN[C@H](C)c2ccccn2)n1 ZINC000112716257 383944495 /nfs/dbraw/zinc/94/44/95/383944495.db2.gz SPBNHORPDAZLCM-LLVKDONJSA-N 0 1 243.310 2.341 10 0 BEAEMN FC(F)(F)c1nc2c(ncnc2Cl)[nH]1 ZINC000090495636 384054647 /nfs/dbraw/zinc/05/46/47/384054647.db2.gz NRTITYXDWXJYSH-UHFFFAOYSA-N 0 1 222.557 2.025 10 0 BEAEMN CCN(C(=O)c1ccn[nH]1)[C@@H](C)c1cccnc1 ZINC000115224012 384073053 /nfs/dbraw/zinc/07/30/53/384073053.db2.gz CAALNBUEMUHISS-JTQLQIEISA-N 0 1 244.298 2.028 10 0 BEAEMN O=C([O-])C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC000038343340 384081571 /nfs/dbraw/zinc/08/15/71/384081571.db2.gz NQMZOUPXUUAMAM-YOGCLGLASA-N 0 1 223.316 2.114 10 0 BEAEMN Cc1n[nH]c2c1[C@@H](O)C[C@H](c1ccccc1O)C2 ZINC000072415257 384099100 /nfs/dbraw/zinc/09/91/00/384099100.db2.gz SNRANHLTJDUOAN-RNCFNFMXSA-N 0 1 244.294 2.187 10 0 BEAEMN COCc1ccc(CN2[C@@H](C)COC[C@@H]2C)cc1 ZINC000093606932 384251338 /nfs/dbraw/zinc/25/13/38/384251338.db2.gz ZQWUKMQESBZDNS-STQMWFEESA-N 0 1 249.354 2.442 10 0 BEAEMN O=C([O-])C1CCC2(CC[N@H+](C3CC3)C2)CC1 ZINC000095077901 384356366 /nfs/dbraw/zinc/35/63/66/384356366.db2.gz FJQGLOFGDJIHPS-UHFFFAOYSA-N 0 1 223.316 2.116 10 0 BEAEMN C[N@H+]1C=C[C@H](C(=O)[O-])C=C1Cc1ccccc1 ZINC000100168035 384621228 /nfs/dbraw/zinc/62/12/28/384621228.db2.gz GNGLPEVQDXXSTN-LBPRGKRZSA-N 0 1 229.279 2.273 10 0 BEAEMN Cc1cnc([C@H](C)N[C@H]2CCO[C@H](C)C2)o1 ZINC000300395778 384752208 /nfs/dbraw/zinc/75/22/08/384752208.db2.gz IPTWHNYSROLRHJ-MIMYLULJSA-N 0 1 224.304 2.201 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000309973873 384756031 /nfs/dbraw/zinc/75/60/31/384756031.db2.gz RFJKBIGIQIBISR-KWQFWETISA-N 0 1 238.356 2.288 10 0 BEAEMN C[C@H](N)c1nnc(-c2cccc(F)c2)s1 ZINC000083320360 384758300 /nfs/dbraw/zinc/75/83/00/384758300.db2.gz GURDHSSPELXLEO-LURJTMIESA-N 0 1 223.276 2.364 10 0 BEAEMN c1cc2c(o1)CCC[C@H]2NCc1cncnc1 ZINC000054767186 384855678 /nfs/dbraw/zinc/85/56/78/384855678.db2.gz XGAGWJHWPVDYCB-GFCCVEGCSA-N 0 1 229.283 2.237 10 0 BEAEMN CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccoc2)C1 ZINC000087289964 384938579 /nfs/dbraw/zinc/93/85/79/384938579.db2.gz BDRFIKHOALFYLS-AAEUAGOBSA-N 0 1 222.332 2.415 10 0 BEAEMN Cc1cc(-c2ccc(Cl)cc2)nc(=NN)[nH]1 ZINC000062203192 385089284 /nfs/dbraw/zinc/08/92/84/385089284.db2.gz SSQVTAMLPGBCHV-UHFFFAOYSA-N 0 1 234.690 2.391 10 0 BEAEMN NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000050224161 385311818 /nfs/dbraw/zinc/31/18/18/385311818.db2.gz YECCJPIXVWZYQO-UHFFFAOYSA-N 0 1 243.097 2.033 10 0 BEAEMN COCc1nc(CN[C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000643808334 385299233 /nfs/dbraw/zinc/29/92/33/385299233.db2.gz ILCOLAIHLJBCGS-ILWJIGKKSA-N 0 1 238.356 2.178 10 0 BEAEMN Cc1csc([C@@H]2CCC[N@H+](C[C@@H](C)O)C2)n1 ZINC000194952082 385453901 /nfs/dbraw/zinc/45/39/01/385453901.db2.gz ANESQSSBBBQUOF-GHMZBOCLSA-N 0 1 240.372 2.012 10 0 BEAEMN C[C@@H]1C[C@H](c2cccs2)C[N@H+]1CC(=O)[O-] ZINC000309312526 385531654 /nfs/dbraw/zinc/53/16/54/385531654.db2.gz CHRHGGSUWUDPGF-BDAKNGLRSA-N 0 1 225.313 2.011 10 0 BEAEMN CC(C)CC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197873 385608016 /nfs/dbraw/zinc/60/80/16/385608016.db2.gz KGHPLOGGUZRMIJ-JTQLQIEISA-N 0 1 238.335 2.083 10 0 BEAEMN c1nnc([C@@H]2CCCCN2[C@H]2C=CCCC2)[nH]1 ZINC000182694622 385694080 /nfs/dbraw/zinc/69/40/80/385694080.db2.gz RTPJCMUFWGKKPA-RYUDHWBXSA-N 0 1 232.331 2.440 10 0 BEAEMN Cc1cn[nH]c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000284024644 385847668 /nfs/dbraw/zinc/84/76/68/385847668.db2.gz LXXAWSOEBRHFMR-GFCCVEGCSA-N 0 1 243.310 2.332 10 0 BEAEMN CC[C@H]1CN(C[C@@](C)(O)c2ccccc2)CCO1 ZINC000226148826 386238675 /nfs/dbraw/zinc/23/86/75/386238675.db2.gz FUFIOKMXZPWJQG-LSDHHAIUSA-N 0 1 249.354 2.005 10 0 BEAEMN Fc1cccc(CN2CCSCC2)c1 ZINC000575191245 386303481 /nfs/dbraw/zinc/30/34/81/386303481.db2.gz UIDQOWUCQRYIJB-UHFFFAOYSA-N 0 1 210.297 2.188 10 0 BEAEMN CN(C)C[C@@H](NCc1cocn1)c1ccccc1 ZINC000192281860 386752741 /nfs/dbraw/zinc/75/27/41/386752741.db2.gz NWUCQCCWKHEDRT-CQSZACIVSA-N 0 1 245.326 2.067 10 0 BEAEMN C[C@](N)(c1cnsc1)c1cccs1 ZINC000575454245 386833426 /nfs/dbraw/zinc/83/34/26/386833426.db2.gz RXYYBIQTWZIURC-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN C[C@@H]1C[C@]1(C)c1o[nH]c(=N)c1Br ZINC000575583588 387058652 /nfs/dbraw/zinc/05/86/52/387058652.db2.gz OHSYOMVIURQSKR-VHWMUFPASA-N 0 1 231.093 2.147 10 0 BEAEMN Cc1nccc(N[C@@H](C)CF)c1Cl ZINC000575577131 387029170 /nfs/dbraw/zinc/02/91/70/387029170.db2.gz CDRGSQDNZZRCPR-LURJTMIESA-N 0 1 202.660 2.235 10 0 BEAEMN CC(=O)c1cc(O)cc(OC(F)F)c1C=O ZINC000575661882 387104300 /nfs/dbraw/zinc/10/43/00/387104300.db2.gz SUTOXGVOFWFZGH-UHFFFAOYSA-N 0 1 230.166 2.009 10 0 BEAEMN CC(C)c1[nH+]c2n(c1C(=O)[O-])CCCC2 ZINC000083987084 387155223 /nfs/dbraw/zinc/15/52/23/387155223.db2.gz NBGOVMRIFVZDTH-UHFFFAOYSA-N 0 1 208.261 2.041 10 0 BEAEMN CC1(C)Cc2onc(CN)c2C(C)(C)C1 ZINC000168324338 387157967 /nfs/dbraw/zinc/15/79/67/387157967.db2.gz MBODEOJJCDGGJB-UHFFFAOYSA-N 0 1 208.305 2.383 10 0 BEAEMN C[C@@H]1C[C@H](c2cccs2)C[C@H](O)N1C ZINC000536949699 387161290 /nfs/dbraw/zinc/16/12/90/387161290.db2.gz DLPLKOFQAYXVOD-YWVKMMECSA-N 0 1 211.330 2.264 10 0 BEAEMN CC/C=C/CCN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187157963 387173848 /nfs/dbraw/zinc/17/38/48/387173848.db2.gz LVRPATNCAQCQSS-SNAWJCMRSA-N 0 1 248.374 2.196 10 0 BEAEMN [NH3+][C@@H](CCF)c1ccc([O-])c(Cl)c1 ZINC000575440355 387140718 /nfs/dbraw/zinc/14/07/18/387140718.db2.gz PLZMVWIEEYLPBU-QMMMGPOBSA-N 0 1 203.644 2.405 10 0 BEAEMN C[C@H]1CCN1c1c(N)cncc1Br ZINC000575591174 387205735 /nfs/dbraw/zinc/20/57/35/387205735.db2.gz NHFHCILPBGKDFP-LURJTMIESA-N 0 1 242.120 2.025 10 0 BEAEMN CC(C)(O)CCN1CCC[C@H]1c1nccs1 ZINC000371874545 387255772 /nfs/dbraw/zinc/25/57/72/387255772.db2.gz NKKJJKCMZJEABM-JTQLQIEISA-N 0 1 240.372 2.441 10 0 BEAEMN COC(=O)c1ccccc1CN1C[C@H]2CCC[C@H]21 ZINC000353897772 387292383 /nfs/dbraw/zinc/29/23/83/387292383.db2.gz JIZVZVURQVZJIK-TZMCWYRMSA-N 0 1 245.322 2.458 10 0 BEAEMN COC(=O)c1ccccc1CN1C[C@@H]2CCC[C@@H]21 ZINC000353897765 387292997 /nfs/dbraw/zinc/29/29/97/387292997.db2.gz JIZVZVURQVZJIK-JSGCOSHPSA-N 0 1 245.322 2.458 10 0 BEAEMN CC(C)(C)OC(=O)N=c1ccn(C(F)F)[nH]1 ZINC000575601426 387360513 /nfs/dbraw/zinc/36/05/13/387360513.db2.gz FPTPGEDATNKFMG-UHFFFAOYSA-N 0 1 233.218 2.047 10 0 BEAEMN CCOc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668924 387430700 /nfs/dbraw/zinc/43/07/00/387430700.db2.gz VYQKUVSMIQQDCG-KGLIPLIRSA-N 0 1 249.354 2.431 10 0 BEAEMN C[C@@H]1NCCC[C@]1(F)c1cncs1 ZINC000575517710 387434064 /nfs/dbraw/zinc/43/40/64/387434064.db2.gz HVRZXNDAOKXSKQ-IONNQARKSA-N 0 1 200.282 2.080 10 0 BEAEMN C[C@H]1COC[C@H](C)N1CCN(C)c1ccccc1 ZINC000085822375 387503785 /nfs/dbraw/zinc/50/37/85/387503785.db2.gz MUDNRFIAIBATPH-KBPBESRZSA-N 0 1 248.370 2.232 10 0 BEAEMN CCOC(=O)[C@@H](C)N(C)CC1(C)CCC1 ZINC000432836228 387833194 /nfs/dbraw/zinc/83/31/94/387833194.db2.gz SURDFVXZDDWEHQ-SNVBAGLBSA-N 0 1 213.321 2.060 10 0 BEAEMN CC(=O)c1cc(C#N)c(C(F)F)cc1O ZINC000575642613 387844216 /nfs/dbraw/zinc/84/42/16/387844216.db2.gz FORAKWCFOHFTAK-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN CCCCCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195068402 387905655 /nfs/dbraw/zinc/90/56/55/387905655.db2.gz USECLDCNNDVVKX-CYBMUJFWSA-N 0 1 238.375 2.263 10 0 BEAEMN CC(C)[C@@H](N)C(=O)c1ccc(F)cc1F ZINC000071518690 388097221 /nfs/dbraw/zinc/09/72/21/388097221.db2.gz GULNORRRFJLEPB-SNVBAGLBSA-N 0 1 213.227 2.131 10 0 BEAEMN O=C1CCNC[C@@H]1Cc1cccc(Cl)c1 ZINC000071531462 388097376 /nfs/dbraw/zinc/09/73/76/388097376.db2.gz OJGOOQYBJXTGHN-JTQLQIEISA-N 0 1 223.703 2.061 10 0 BEAEMN Cc1cnc([C@H](C)NCCC[C@@H]2CCOC2)o1 ZINC000400528572 388371150 /nfs/dbraw/zinc/37/11/50/388371150.db2.gz GSPWZYLKDNRJAA-NWDGAFQWSA-N 0 1 238.331 2.450 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1ncccc1Cl ZINC000528511133 388538406 /nfs/dbraw/zinc/53/84/06/388538406.db2.gz CPWOEWQOFNCCRG-PSASIEDQSA-N 0 1 226.707 2.002 10 0 BEAEMN Cc1cnc(NC(=O)OC(C)(C)C)cc1N ZINC000066054940 388680552 /nfs/dbraw/zinc/68/05/52/388680552.db2.gz HAISJOBSNUFUEW-UHFFFAOYSA-N 0 1 223.276 2.319 10 0 BEAEMN Cc1nc2[nH]nc(Br)c2c(Cl)n1 ZINC000066322906 388683189 /nfs/dbraw/zinc/68/31/89/388683189.db2.gz LZXVEZIBXLYVRF-UHFFFAOYSA-N 0 1 247.483 2.077 10 0 BEAEMN C[C@](N)(c1ccsc1)c1cscn1 ZINC000575453877 388752677 /nfs/dbraw/zinc/75/26/77/388752677.db2.gz IVKNYRNPUYDSDX-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN CC(C)[C@@H](O)CCN[C@H](C)c1cscn1 ZINC000127872129 388733386 /nfs/dbraw/zinc/73/33/86/388733386.db2.gz LYLQUUNWQQZZMP-KOLCDFICSA-N 0 1 228.361 2.201 10 0 BEAEMN Cc1ccnc(N2CCCC[C@@H]2C)c1N ZINC000036245174 132341335 /nfs/dbraw/zinc/34/13/35/132341335.db2.gz UGIPVTSZEFJXDL-JTQLQIEISA-N 0 1 205.305 2.351 10 0 BEAEMN CCCc1cc(NC)nc(N2CCCCC2)n1 ZINC000050850012 132359483 /nfs/dbraw/zinc/35/94/83/132359483.db2.gz KNGHNZHPPIYLIT-UHFFFAOYSA-N 0 1 234.347 2.461 10 0 BEAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1CC=CC1 ZINC000336002532 134047630 /nfs/dbraw/zinc/04/76/30/134047630.db2.gz LBNCUEKFHYQLSD-TZMCWYRMSA-N 0 1 248.370 2.038 10 0 BEAEMN Cc1cnc([C@@H](C)NC[C@@H]2CCCOC2)o1 ZINC000220915662 134315076 /nfs/dbraw/zinc/31/50/76/134315076.db2.gz OMEHSFOKJTXAEW-MNOVXSKESA-N 0 1 224.304 2.060 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1ccoc1C(=O)OC ZINC000224877644 134348667 /nfs/dbraw/zinc/34/86/67/134348667.db2.gz NCQLENVFLLFVAP-GXSJLCMTSA-N 0 1 237.299 2.344 10 0 BEAEMN OCC[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000227571234 134383316 /nfs/dbraw/zinc/38/33/16/134383316.db2.gz OLPWKADBFBHECJ-JTQLQIEISA-N 0 1 241.281 2.169 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000134254058 134704361 /nfs/dbraw/zinc/70/43/61/134704361.db2.gz VFUDTDXCOJQDPB-SMDDNHRTSA-N 0 1 249.358 2.265 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1C[C@H]1CCC(C)(C)O1 ZINC000248564042 135004787 /nfs/dbraw/zinc/00/47/87/135004787.db2.gz HRIPHRHZZHSHTA-IJLUTSLNSA-N 0 1 227.348 2.053 10 0 BEAEMN C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000248582766 135014867 /nfs/dbraw/zinc/01/48/67/135014867.db2.gz TVPGVMIVIVGRKP-IJLUTSLNSA-N 0 1 227.348 2.053 10 0 BEAEMN CC(C)CCOCCN1[C@H](C)COC[C@H]1C ZINC000077657593 135072029 /nfs/dbraw/zinc/07/20/29/135072029.db2.gz BUJSCWNCXGPVHJ-CHWSQXEVSA-N 0 1 229.364 2.158 10 0 BEAEMN C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H]1C[C@H]1C ZINC000252180711 135085800 /nfs/dbraw/zinc/08/58/00/135085800.db2.gz SWCILJVUAZOETN-GMTAPVOTSA-N 0 1 227.348 2.304 10 0 BEAEMN c1csc([C@@H](NC2COC2)C2CC2)c1 ZINC000087194966 135112365 /nfs/dbraw/zinc/11/23/65/135112365.db2.gz SLFGZFPCBYYPGD-NSHDSACASA-N 0 1 209.314 2.188 10 0 BEAEMN CC[C@H](C)CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000253278939 135125428 /nfs/dbraw/zinc/12/54/28/135125428.db2.gz PCSFZXXFTDACEQ-STQMWFEESA-N 0 1 238.375 2.119 10 0 BEAEMN Cc1csc(CN2CCC[C@H]2CCCO)n1 ZINC000087396338 135129636 /nfs/dbraw/zinc/12/96/36/135129636.db2.gz XCIFAPZKYYZNNM-NSHDSACASA-N 0 1 240.372 2.188 10 0 BEAEMN Cc1cccc(CC[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000258866416 135135511 /nfs/dbraw/zinc/13/55/11/135135511.db2.gz KOQBNYPJSWORTF-LBPRGKRZSA-N 0 1 235.327 2.190 10 0 BEAEMN Cc1c([C@@H](C)NCc2ccoc2)cnn1C ZINC000062103630 1172741459 /nfs/dbraw/zinc/74/14/59/1172741459.db2.gz NJIPTTXRGCFNLR-SECBINFHSA-N 0 1 219.288 2.172 10 0 BEAEMN C[C@H](c1nccs1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398327 487615005 /nfs/dbraw/zinc/61/50/05/487615005.db2.gz DEYRKDJKGNULEA-RKDXNWHRSA-N 0 1 240.328 2.001 10 0 BEAEMN CC(C)CN[C@H](C(N)=O)c1ccccc1Cl ZINC000037946219 167013535 /nfs/dbraw/zinc/01/35/35/167013535.db2.gz QXFCDCXPCCQJTK-NSHDSACASA-N 0 1 240.734 2.112 10 0 BEAEMN CC(C)[C@@H](C)[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000037931044 167370397 /nfs/dbraw/zinc/37/03/97/167370397.db2.gz CGLWJEXCECBVNP-SECBINFHSA-N 0 1 236.315 2.448 10 0 BEAEMN O=c1c2c([nH]n1C1CCCCC1)CCC2 ZINC000104707510 410946854 /nfs/dbraw/zinc/94/68/54/410946854.db2.gz XODGXTAHGQDFHD-JTQLQIEISA-N 0 1 206.289 2.317 10 0 BEAEMN Cc1cc(=O)n(Cc2cccc(C)c2)[nH]1 ZINC000110459638 411098885 /nfs/dbraw/zinc/09/88/85/411098885.db2.gz URNPHDBSICXTEZ-UHFFFAOYSA-N 0 1 202.257 2.103 10 0 BEAEMN CC1CC(c2nc([C@@H]3CCCN3)no2)C1 ZINC000309524419 411162569 /nfs/dbraw/zinc/16/25/69/411162569.db2.gz UPIFHBFOVCJMBZ-HACHORDNSA-N 0 1 207.277 2.008 10 0 BEAEMN CC[N@H+](Cc1ccccn1)C[C@H]1CCC[C@H](O)C1 ZINC000311056568 411309834 /nfs/dbraw/zinc/30/98/34/411309834.db2.gz YHJSSQKQJUMZFZ-ZFWWWQNUSA-N 0 1 248.370 2.455 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@@H+](C)C1CCC(C)CC1 ZINC000042487883 168160244 /nfs/dbraw/zinc/16/02/44/168160244.db2.gz OEKBRCIUQAQCCY-HSOILSAZSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000126680882 411451478 /nfs/dbraw/zinc/45/14/78/411451478.db2.gz XGCXRENVKCPWNH-SECBINFHSA-N 0 1 235.331 2.063 10 0 BEAEMN CC(C)[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000126681149 411452233 /nfs/dbraw/zinc/45/22/33/411452233.db2.gz XGCXRENVKCPWNH-VIFPVBQESA-N 0 1 235.331 2.063 10 0 BEAEMN CCN1CCc2nc(NC(C)C)sc2C1 ZINC000061714488 170025493 /nfs/dbraw/zinc/02/54/93/170025493.db2.gz KDLDPVYYIBONBE-UHFFFAOYSA-N 0 1 225.361 2.341 10 0 BEAEMN CC[N@H+]1Cc2cc(Cl)ccc2C[C@H]1C(=O)[O-] ZINC000008698953 170040730 /nfs/dbraw/zinc/04/07/30/170040730.db2.gz JKIOECKVAOTSHL-NSHDSACASA-N 0 1 239.702 2.171 10 0 BEAEMN CCNCC(=O)c1ccc(Br)cc1 ZINC000041612054 170110983 /nfs/dbraw/zinc/11/09/83/170110983.db2.gz IVFODHCKCDNGKK-UHFFFAOYSA-N 0 1 242.116 2.241 10 0 BEAEMN CCNCc1csc([C@@H]2CCCO2)n1 ZINC000062214637 170131072 /nfs/dbraw/zinc/13/10/72/170131072.db2.gz AVEYJCONPYWKTG-VIFPVBQESA-N 0 1 212.318 2.104 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2ncccc2C)o1 ZINC000051813813 170159733 /nfs/dbraw/zinc/15/97/33/170159733.db2.gz CEGRZEPHIAPVQZ-SECBINFHSA-N 0 1 232.287 2.111 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2ccc(C)o2)o1 ZINC000050618812 170160220 /nfs/dbraw/zinc/16/02/20/170160220.db2.gz IBBHIGLFTYXFSJ-MRVPVSSYSA-N 0 1 221.260 2.309 10 0 BEAEMN CCNc1ncccc1CN1CCCO[C@H](C)C1 ZINC000061933815 170178351 /nfs/dbraw/zinc/17/83/51/170178351.db2.gz RVLPTKRXZMYYGC-GFCCVEGCSA-N 0 1 249.358 2.124 10 0 BEAEMN C[C@@H]1CN(C[C@H]2Cc3ccccc32)C[C@@H](C)C1=O ZINC000661537762 411797654 /nfs/dbraw/zinc/79/76/54/411797654.db2.gz DBDUAJAZLQZBJQ-YRGRVCCFSA-N 0 1 243.350 2.483 10 0 BEAEMN C[C@@H]1CN(C[C@@H]2Cc3ccccc32)C[C@@H](C)C1=O ZINC000661537761 411798362 /nfs/dbraw/zinc/79/83/62/411798362.db2.gz DBDUAJAZLQZBJQ-BZPMIXESSA-N 0 1 243.350 2.483 10 0 BEAEMN CC[C@@H](C)[S@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000042196069 170802659 /nfs/dbraw/zinc/80/26/59/170802659.db2.gz VYQNOGVMAUQSRA-VGDKGRGNSA-N 0 1 237.328 2.051 10 0 BEAEMN CC[C@@H]1CN(C[C@@](C)(O)c2ccccc2)CCO1 ZINC000226148816 171086208 /nfs/dbraw/zinc/08/62/08/171086208.db2.gz FUFIOKMXZPWJQG-HUUCEWRRSA-N 0 1 249.354 2.005 10 0 BEAEMN CC[C@@H]1CSC(NCc2cnc(C)s2)=N1 ZINC000049534270 171113785 /nfs/dbraw/zinc/11/37/85/171113785.db2.gz KMZFDKSJDILOLN-MRVPVSSYSA-N 0 1 241.385 2.423 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2ccsc2)n1 ZINC000041052955 171172233 /nfs/dbraw/zinc/17/22/33/171172233.db2.gz MHQYWRBNTNOMIW-SNVBAGLBSA-N 0 1 223.301 2.382 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2ccoc2C)n1 ZINC000041052957 171172607 /nfs/dbraw/zinc/17/26/07/171172607.db2.gz QPEZJQHXMVBBFE-LLVKDONJSA-N 0 1 221.260 2.222 10 0 BEAEMN CC[C@H](C)[N@@H+](CC)Cc1cccnc1C(=O)[O-] ZINC000062751481 171311749 /nfs/dbraw/zinc/31/17/49/171311749.db2.gz STDMBHNXMRUOJV-JTQLQIEISA-N 0 1 236.315 2.400 10 0 BEAEMN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106423751 171335670 /nfs/dbraw/zinc/33/56/70/171335670.db2.gz BCUFSALWAZWLHP-JSGCOSHPSA-N 0 1 248.370 2.074 10 0 BEAEMN CC[C@H](C)OC(=O)C1(N)CCC(C)CC1 ZINC000048265555 171351030 /nfs/dbraw/zinc/35/10/30/171351030.db2.gz OBXPZSHRVKTJPM-YZRBJQDESA-N 0 1 213.321 2.236 10 0 BEAEMN CC[C@H](C)OC(=O)C1(N)CCCCCC1 ZINC000048265563 171351645 /nfs/dbraw/zinc/35/16/45/171351645.db2.gz KYHBDQPTQTUYQT-JTQLQIEISA-N 0 1 213.321 2.380 10 0 BEAEMN CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000062758380 172029452 /nfs/dbraw/zinc/02/94/52/172029452.db2.gz FAYHNMSNYWNGHR-NXEZZACHSA-N 0 1 222.288 2.261 10 0 BEAEMN CCc1nnc([C@@H](C)NC2(C(C)C)CC2)o1 ZINC000339519095 172063398 /nfs/dbraw/zinc/06/33/98/172063398.db2.gz PHMRNZMRFMPAIK-SECBINFHSA-N 0 1 223.320 2.471 10 0 BEAEMN CCn1c2ccccc2nc1-c1cc(N)[nH]n1 ZINC000075880108 172130249 /nfs/dbraw/zinc/13/02/49/172130249.db2.gz VKMYJBOQJUQSCB-UHFFFAOYSA-N 0 1 227.271 2.029 10 0 BEAEMN CCn1c(CN)nnc1SCC1CCCC1 ZINC000082425434 172145424 /nfs/dbraw/zinc/14/54/24/172145424.db2.gz QTNCQLRECNKZRQ-UHFFFAOYSA-N 0 1 240.376 2.039 10 0 BEAEMN CCn1cccc1CNCc1c(C)noc1C ZINC000092328922 172208015 /nfs/dbraw/zinc/20/80/15/172208015.db2.gz PBSCLAMOENWYFP-UHFFFAOYSA-N 0 1 233.315 2.403 10 0 BEAEMN CCn1cccc1CN[C@H](C)c1cnn(C)c1C ZINC000091025322 172209585 /nfs/dbraw/zinc/20/95/85/172209585.db2.gz JMWPQSUHUUQRMN-LLVKDONJSA-N 0 1 246.358 2.401 10 0 BEAEMN CCn1ccnc1N[C@@H](C)c1ccncc1 ZINC000050608455 172227330 /nfs/dbraw/zinc/22/73/30/172227330.db2.gz IPPQNTJAMXPKJU-JTQLQIEISA-N 0 1 216.288 2.471 10 0 BEAEMN CCn1ccnc1N[C@H](C)c1ccccn1 ZINC000050608460 172227412 /nfs/dbraw/zinc/22/74/12/172227412.db2.gz UGLUNXKYAJNRQL-SNVBAGLBSA-N 0 1 216.288 2.471 10 0 BEAEMN CCn1ccnc1[C@@H](N)c1cccc(N(C)C)c1 ZINC000011735825 172229146 /nfs/dbraw/zinc/22/91/46/172229146.db2.gz YGRRKGBVIGVFAL-ZDUSSCGKSA-N 0 1 244.342 2.017 10 0 BEAEMN CCn1ccnc1[C@H](N)c1ccccc1C ZINC000011735288 172230187 /nfs/dbraw/zinc/23/01/87/172230187.db2.gz ISGUMRYZGHFDOP-GFCCVEGCSA-N 0 1 215.300 2.260 10 0 BEAEMN CN1CC[C@H](Nc2ccccc2Cl)C1 ZINC000061984649 173156866 /nfs/dbraw/zinc/15/68/66/173156866.db2.gz VLDHZHFNIXNWDC-VIFPVBQESA-N 0 1 210.708 2.456 10 0 BEAEMN CNCc1ncc(-c2ccccc2C)o1 ZINC000077297271 173397318 /nfs/dbraw/zinc/39/73/18/173397318.db2.gz ABMHNDAUHPZLHM-UHFFFAOYSA-N 0 1 202.257 2.369 10 0 BEAEMN CNCc1ncc(-c2ccccc2F)o1 ZINC000077299362 173397479 /nfs/dbraw/zinc/39/74/79/173397479.db2.gz AWMSAONMEJPZTG-UHFFFAOYSA-N 0 1 206.220 2.200 10 0 BEAEMN CNCc1ncc(-c2ccc(C)cc2)o1 ZINC000077297273 173397528 /nfs/dbraw/zinc/39/75/28/173397528.db2.gz GHJBVHDXYXSEGQ-UHFFFAOYSA-N 0 1 202.257 2.369 10 0 BEAEMN COC(CN[C@H](C)c1ccc(F)c(F)c1)OC ZINC000037566550 173963230 /nfs/dbraw/zinc/96/32/30/173963230.db2.gz VHGQZBMACGVBNL-MRVPVSSYSA-N 0 1 245.269 2.234 10 0 BEAEMN COCCNCC(=O)c1c(C)c(C)cc(C)c1C ZINC000049837344 174332534 /nfs/dbraw/zinc/33/25/34/174332534.db2.gz AUGPNOPBOHZNTK-UHFFFAOYSA-N 0 1 249.354 2.339 10 0 BEAEMN COc1cc(OC)c2c(c1)OCC[C@H]2NC1CC1 ZINC000036204628 175008929 /nfs/dbraw/zinc/00/89/29/175008929.db2.gz ICRXXAHMEJNXQF-LLVKDONJSA-N 0 1 249.310 2.279 10 0 BEAEMN COc1ccc(-c2cc(O)cc(=O)o2)cc1OC ZINC000034484105 175032623 /nfs/dbraw/zinc/03/26/23/175032623.db2.gz ZKHYBBUNMNYWHD-UHFFFAOYSA-N 0 1 248.234 2.030 10 0 BEAEMN COc1ccc(C(=O)[C@H]2CCCCN2)c(OC)c1 ZINC000074368581 175066388 /nfs/dbraw/zinc/06/63/88/175066388.db2.gz KPCDJKQDIAWUCD-GFCCVEGCSA-N 0 1 249.310 2.029 10 0 BEAEMN COc1ccc(F)cc1[C@H](N)c1ccoc1 ZINC000035381476 175134416 /nfs/dbraw/zinc/13/44/16/175134416.db2.gz SWAPXSKPSRJFRY-GFCCVEGCSA-N 0 1 221.231 2.475 10 0 BEAEMN COc1ccc([C@H](N)c2ccccn2)cc1OC ZINC000011737318 175192937 /nfs/dbraw/zinc/19/29/37/175192937.db2.gz LZQHYXPVNAAMKX-AWEZNQCLSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccc2c(c1)CCN[C@H]2c1ccccn1 ZINC000003703136 175209558 /nfs/dbraw/zinc/20/95/58/175209558.db2.gz BBZRKCFLHGWGMU-OAHLLOKOSA-N 0 1 240.306 2.325 10 0 BEAEMN COc1ccccc1[C@@H](C)NCc1ccnn1C ZINC000036901163 175345306 /nfs/dbraw/zinc/34/53/06/175345306.db2.gz LZQJXNSNMDPSBE-LLVKDONJSA-N 0 1 245.326 2.280 10 0 BEAEMN COc1ccccc1[C@H]1CSCCN1 ZINC000041218915 175355406 /nfs/dbraw/zinc/35/54/06/175355406.db2.gz XDPKROPREPVSAB-SNVBAGLBSA-N 0 1 209.314 2.073 10 0 BEAEMN C[C@@H](N)c1nc(-c2ccccn2)cs1 ZINC000011887244 175819775 /nfs/dbraw/zinc/81/97/75/175819775.db2.gz LNJIDLSPRJKYHG-SSDOTTSWSA-N 0 1 205.286 2.225 10 0 BEAEMN C[C@@H]1CCCCN1CC(=O)Nc1cccc(N)c1 ZINC000019775341 176069136 /nfs/dbraw/zinc/06/91/36/176069136.db2.gz FPBPFEWBJQOLJF-LLVKDONJSA-N 0 1 247.342 2.082 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000062182838 176073757 /nfs/dbraw/zinc/07/37/57/176073757.db2.gz JYURMLPKIJNKIG-SNVBAGLBSA-N 0 1 234.299 2.154 10 0 BEAEMN C[C@@H]1CCCC[C@H]1[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000042613702 176085607 /nfs/dbraw/zinc/08/56/07/176085607.db2.gz VPBVSRLICHJPHS-NXEZZACHSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H](CC(=O)N1C[C@@H](C)N[C@H](C)C1)C(C)(C)C ZINC000070076315 176247388 /nfs/dbraw/zinc/24/73/88/176247388.db2.gz WDIXRAPXDIIKIX-IJLUTSLNSA-N 0 1 240.391 2.268 10 0 BEAEMN C[C@@H]1CN(C[C@H]2Cc3ccccc32)CCC1=O ZINC000251861442 176299698 /nfs/dbraw/zinc/29/96/98/176299698.db2.gz SNAVTYDAIZRQPY-DGCLKSJQSA-N 0 1 229.323 2.237 10 0 BEAEMN C[C@@H]1CNC[C@@H](c2c(F)cccc2F)O1 ZINC000036673308 176329193 /nfs/dbraw/zinc/32/91/93/176329193.db2.gz FGNSIBYOQDJJOR-XCBNKYQSSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000082366584 177039067 /nfs/dbraw/zinc/03/90/67/177039067.db2.gz WUQVGKNYSGCODM-ZYHUDNBSSA-N 0 1 219.284 2.297 10 0 BEAEMN C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003744889 177042083 /nfs/dbraw/zinc/04/20/83/177042083.db2.gz VJDFYOPYWBOWDZ-BXKDBHETSA-N 0 1 237.274 2.436 10 0 BEAEMN C[C@H](c1cccnc1)n1c(N)nc2ccccc21 ZINC000035692425 177046264 /nfs/dbraw/zinc/04/62/64/177046264.db2.gz TXUHLAZGIXSXCM-SNVBAGLBSA-N 0 1 238.294 2.453 10 0 BEAEMN C[C@H]1CCCC[C@]1(N)C(=O)OC1CCCC1 ZINC000041038377 177090720 /nfs/dbraw/zinc/09/07/20/177090720.db2.gz VULPFLCAHVPPSV-GXFFZTMASA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](N)c1ccccc1 ZINC000050565354 177094084 /nfs/dbraw/zinc/09/40/84/177094084.db2.gz IHSZQBSSNUDUQO-OUCADQQQSA-N 0 1 246.354 2.333 10 0 BEAEMN C[C@H]1CCC[N@@H+](CC2(C(=O)[O-])CCCC2)C1 ZINC000049820202 177096366 /nfs/dbraw/zinc/09/63/66/177096366.db2.gz SQYKAFRAFHJISF-NSHDSACASA-N 0 1 225.332 2.363 10 0 BEAEMN C[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CCCC1 ZINC000051286387 177109263 /nfs/dbraw/zinc/10/92/63/177109263.db2.gz NBKQERWXKDWXFZ-JTQLQIEISA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@H]1CCN(c2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 ZINC000054534575 177171888 /nfs/dbraw/zinc/17/18/88/177171888.db2.gz YKHPTCLKGIWNLV-VIFPVBQESA-N 0 1 246.310 2.115 10 0 BEAEMN C[C@@H](c1ccc(N)cc1)N1CCO[C@@H](C)C1 ZINC000040908710 177274144 /nfs/dbraw/zinc/27/41/44/177274144.db2.gz QTNDERFUPVUYJB-QWRGUYRKSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@H]1C[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000061641161 177385399 /nfs/dbraw/zinc/38/53/99/177385399.db2.gz SMFBZHDZLMMMDZ-SMDDNHRTSA-N 0 1 227.311 2.370 10 0 BEAEMN CCc1nnc(CN(CC(C)C)C(C)C)n1C ZINC000195067550 224898350 /nfs/dbraw/zinc/89/83/50/224898350.db2.gz WZIOHQMTQQENTF-UHFFFAOYSA-N 0 1 238.379 2.244 10 0 BEAEMN O=C1[C@@H]2CCCC2=NN1c1ccc(F)cc1F ZINC000104707190 487713181 /nfs/dbraw/zinc/71/31/81/487713181.db2.gz BVJIVMNSSNTXDP-MRVPVSSYSA-N 0 1 236.221 2.468 10 0 BEAEMN O=c1c2c([nH]n1-c1ccc(F)cc1F)CCC2 ZINC000104707190 487713187 /nfs/dbraw/zinc/71/31/87/487713187.db2.gz BVJIVMNSSNTXDP-MRVPVSSYSA-N 0 1 236.221 2.468 10 0 BEAEMN CC[C@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304149676 487873941 /nfs/dbraw/zinc/87/39/41/487873941.db2.gz CDCRHKKYBWYEIF-JTQLQIEISA-N 0 1 234.299 2.012 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000083407071 487906819 /nfs/dbraw/zinc/90/68/19/487906819.db2.gz FNULAZXOGDXQNQ-WDEREUQCSA-N 0 1 213.321 2.218 10 0 BEAEMN C[N@H+](CCC(C)(C)C)Cc1nc(C(=O)[O-])co1 ZINC000399799209 487497880 /nfs/dbraw/zinc/49/78/80/487497880.db2.gz UZADARLEVZMGKS-UHFFFAOYSA-N 0 1 240.303 2.241 10 0 BEAEMN C[N@@H+](CCC(C)(C)C)Cc1nc(C(=O)[O-])co1 ZINC000399799209 487497883 /nfs/dbraw/zinc/49/78/83/487497883.db2.gz UZADARLEVZMGKS-UHFFFAOYSA-N 0 1 240.303 2.241 10 0 BEAEMN C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C(C)(C)C ZINC000112307931 487515268 /nfs/dbraw/zinc/51/52/68/487515268.db2.gz YXEXHMQEYSIDIM-SECBINFHSA-N 0 1 249.358 2.453 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000394780103 488155233 /nfs/dbraw/zinc/15/52/33/488155233.db2.gz GAVTVIMRFWTDCF-FDYHWXHSSA-N 0 1 239.359 2.465 10 0 BEAEMN Cc1nc([C@H](C)N[C@@H]2CCC[C@@H](O)C2)cs1 ZINC000217675884 490480173 /nfs/dbraw/zinc/48/01/73/490480173.db2.gz MBNVBLHJGAKLOK-JMJZKYOTSA-N 0 1 240.372 2.406 10 0 BEAEMN CCCCCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000220588100 490618733 /nfs/dbraw/zinc/61/87/33/490618733.db2.gz YYEUHHPFMYPLFZ-NSHDSACASA-N 0 1 249.358 2.129 10 0 BEAEMN COc1ccc([C@@H]2CCO[C@@H](C)N2)cc1 ZINC000757143385 582523670 /nfs/dbraw/zinc/52/36/70/582523670.db2.gz WMRLINFWQQPDEE-CABZTGNLSA-N 0 1 207.273 2.092 10 0 BEAEMN C[C@H]1CC(C)(C)C[C@]2(C1)NC1(COC1)CCO2 ZINC000757145361 582527511 /nfs/dbraw/zinc/52/75/11/582527511.db2.gz IILYLCOBYVLYNI-SMDDNHRTSA-N 0 1 239.359 2.308 10 0 BEAEMN CC[C@@H]1CCC[C@]2(CC1)NC1(COC1)CCO2 ZINC000757153860 582538630 /nfs/dbraw/zinc/53/86/30/582538630.db2.gz ZPZSBZKSFDYYRE-OCCSQVGLSA-N 0 1 239.359 2.452 10 0 BEAEMN CCN1CCC[C@@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000180422591 535541577 /nfs/dbraw/zinc/54/15/77/535541577.db2.gz NEJVPJWRURDJGG-CYBMUJFWSA-N 0 1 247.342 2.180 10 0 BEAEMN C[C@@H]1C[C@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000134057155 566396273 /nfs/dbraw/zinc/39/62/73/566396273.db2.gz SXNSEWCPMHQJEH-NEPJUHHUSA-N 0 1 242.326 2.013 10 0 BEAEMN C[C@@H]1C[C@@]2(CC[N@@H+]1C)NCCc1sccc12 ZINC000397268335 583099382 /nfs/dbraw/zinc/09/93/82/583099382.db2.gz CFHKSBXMPGRABL-ZWNOBZJWSA-N 0 1 236.384 2.203 10 0 BEAEMN CC[C@@H](C)C(=O)c1nc(C)c(CN)s1 ZINC000757124940 582500113 /nfs/dbraw/zinc/50/01/13/582500113.db2.gz RLYGYNLXSUCLEZ-ZCFIWIBFSA-N 0 1 212.318 2.139 10 0 BEAEMN CC1=NN([C@@H](C)C2CCOCC2)C(=S)C1 ZINC000757165773 582548283 /nfs/dbraw/zinc/54/82/83/582548283.db2.gz LZEQDNCNONMPMQ-VIFPVBQESA-N 0 1 226.345 2.468 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2cccc(C)c2)C1 ZINC000757186299 582555191 /nfs/dbraw/zinc/55/51/91/582555191.db2.gz GALFQMKOWLYPAI-STQMWFEESA-N 0 1 233.311 2.115 10 0 BEAEMN Cc1cn2c(n1)NCC[C@@H]2[C@H]1CC[C@@H](C)O1 ZINC000235377306 582570316 /nfs/dbraw/zinc/57/03/16/582570316.db2.gz QYXWRBVLRMVIJG-GMTAPVOTSA-N 0 1 221.304 2.116 10 0 BEAEMN C[C@@H](NCc1cccnc1Cl)[C@H]1CCCO1 ZINC000105418376 582574509 /nfs/dbraw/zinc/57/45/09/582574509.db2.gz HRZVXAPWEZFSCN-MWLCHTKSSA-N 0 1 240.734 2.392 10 0 BEAEMN Cc1sccc1[C@H]1NCCc2nc[nH]c21 ZINC000400593847 582584643 /nfs/dbraw/zinc/58/46/43/582584643.db2.gz ZDCWMQKOFPFOFT-SNVBAGLBSA-N 0 1 219.313 2.015 10 0 BEAEMN CCn1cncc1[C@H]1NCCc2sccc21 ZINC000397165289 583098570 /nfs/dbraw/zinc/09/85/70/583098570.db2.gz ZQUCHQFCGVRNQP-LBPRGKRZSA-N 0 1 233.340 2.200 10 0 BEAEMN c1csc([C@@H]2CCNc3nccn32)c1 ZINC000232463019 585030928 /nfs/dbraw/zinc/03/09/28/585030928.db2.gz FDVHDFZLQVPPRC-QMMMGPOBSA-N 0 1 205.286 2.350 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2C)C1 ZINC000757188970 586434964 /nfs/dbraw/zinc/43/49/64/586434964.db2.gz IXEDRNZXUWECHQ-CHWSQXEVSA-N 0 1 233.311 2.115 10 0 BEAEMN Cc1cccc([C@@H]2C[N@@H+](C)C[C@H]2C(=O)[O-])c1C ZINC000757192404 586436039 /nfs/dbraw/zinc/43/60/39/586436039.db2.gz OJPDHQQLFMAREL-QWHCGFSZSA-N 0 1 233.311 2.033 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C)cc2)C1 ZINC000757193683 586436341 /nfs/dbraw/zinc/43/63/41/586436341.db2.gz UGCFXVSZZYCOQK-STQMWFEESA-N 0 1 233.311 2.115 10 0 BEAEMN Cc1nnc(CN[C@H](C)CC(C)C)s1 ZINC000134719677 591947625 /nfs/dbraw/zinc/94/76/25/591947625.db2.gz WNMKKRGYMMDLIY-MRVPVSSYSA-N 0 1 213.350 2.371 10 0 BEAEMN CCSCCCNCc1nnc(C)s1 ZINC000134775673 591950149 /nfs/dbraw/zinc/95/01/49/591950149.db2.gz WQWFVWJPQJQQSX-UHFFFAOYSA-N 0 1 231.390 2.079 10 0 BEAEMN CCCc1noc(-c2csc([C@@H](C)N)n2)n1 ZINC000085546959 631460932 /nfs/dbraw/zinc/46/09/32/631460932.db2.gz DWCGNWTYBXWTBN-ZCFIWIBFSA-N 0 1 238.316 2.165 10 0 BEAEMN C[C@H](NCCOC1CCOCC1)c1ccco1 ZINC000053591083 634256830 /nfs/dbraw/zinc/25/68/30/634256830.db2.gz YHWJLMPEWAZPPX-NSHDSACASA-N 0 1 239.315 2.126 10 0 BEAEMN CC[C@@H](NC)c1nc(C2CCCC2)nn1C ZINC000054699279 640321872 /nfs/dbraw/zinc/32/18/72/640321872.db2.gz NHKFBAPHHVLYKY-SNVBAGLBSA-N 0 1 222.336 2.143 10 0 BEAEMN C[C@@H](NCc1cncnc1)c1cccs1 ZINC000054767145 640408019 /nfs/dbraw/zinc/40/80/19/640408019.db2.gz OTXVJASWRZYQTE-SECBINFHSA-N 0 1 219.313 2.389 10 0 BEAEMN COCCC(O)=CC(=O)C1CCCCC1 ZINC000061442216 640965394 /nfs/dbraw/zinc/96/53/94/640965394.db2.gz BHUFTPWPGKGAGC-UHFFFAOYSA-N 0 1 212.289 2.132 10 0 BEAEMN C[C@@H]1OCCC[C@H]1C(=O)NOCc1ccccc1 ZINC000191241989 641908242 /nfs/dbraw/zinc/90/82/42/641908242.db2.gz PYPYDTRVVCPEIL-WCQYABFASA-N 0 1 249.310 2.050 10 0 BEAEMN Cc1ccc([C@H](C)NCC2OCCO2)cc1F ZINC000180263586 642782203 /nfs/dbraw/zinc/78/22/03/642782203.db2.gz YDPIOCUWFWYCEH-JTQLQIEISA-N 0 1 239.290 2.158 10 0 BEAEMN Cc1ccc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991897 642932209 /nfs/dbraw/zinc/93/22/09/642932209.db2.gz GYHNUILEPMUMHN-OLZOCXBDSA-N 0 1 233.311 2.033 10 0 BEAEMN C[C@@H](NCc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000183154487 643093636 /nfs/dbraw/zinc/09/36/36/643093636.db2.gz ABIDIGMWKRZYAV-QMTHXVAHSA-N 0 1 248.301 2.354 10 0 BEAEMN Cc1cc(C)cc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991894 643255396 /nfs/dbraw/zinc/25/53/96/643255396.db2.gz HCZBPUVNGFFTIP-STQMWFEESA-N 0 1 233.311 2.033 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C3CC3)cc2)C1 ZINC000757192589 643366633 /nfs/dbraw/zinc/36/66/33/643366633.db2.gz QNXSMUBJCYSFHF-ZIAGYGMSSA-N 0 1 245.322 2.294 10 0 BEAEMN CC1(C)C[C@@H]1NCc1cnn(-c2ccccc2)n1 ZINC000045116795 643551571 /nfs/dbraw/zinc/55/15/71/643551571.db2.gz WIVRLYABDFBEEG-ZDUSSCGKSA-N 0 1 242.326 2.155 10 0 BEAEMN Cc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])cc1C ZINC000082343126 644371540 /nfs/dbraw/zinc/37/15/40/644371540.db2.gz BAPLKOOJUQCAQN-STQMWFEESA-N 0 1 233.311 2.033 10 0 BEAEMN Cc1nccc(NC[C@H]2CCC[C@H]2O)c1Cl ZINC000335557941 711686020 /nfs/dbraw/zinc/68/60/20/711686020.db2.gz YZJRXFCIMZELKG-MWLCHTKSSA-N 0 1 240.734 2.038 10 0 BEAEMN Nc1ccc([C@H]2CCn3ccnc3N2)cc1 ZINC000236394868 711761797 /nfs/dbraw/zinc/76/17/97/711761797.db2.gz HWOMPYRANOBZBS-LLVKDONJSA-N 0 1 214.272 2.022 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)n1 ZINC000700463070 711996062 /nfs/dbraw/zinc/99/60/62/711996062.db2.gz RIQKXSQVBYTFLG-JBLDHEPKSA-N 0 1 249.358 2.405 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689377169 976253027 /nfs/dbraw/zinc/25/30/27/976253027.db2.gz QROIQZOHWOCWHW-HUYFXPKMSA-N 0 1 229.295 2.089 10 0 BEAEMN CC[C@@H](C)C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC000694004024 976662577 /nfs/dbraw/zinc/66/25/77/976662577.db2.gz JPYRMTDAFCTRPH-SECBINFHSA-N 0 1 201.310 2.218 10 0 BEAEMN C/C(=C/C[N@H+]1C[C@@H]2CCCC[C@@]21C)C(=O)[O-] ZINC000706033451 977306560 /nfs/dbraw/zinc/30/65/60/977306560.db2.gz NVVPGPOGVFRUCX-GVCSVAHDSA-N 0 1 223.316 2.282 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708821165 977444346 /nfs/dbraw/zinc/44/43/46/977444346.db2.gz DEHYNMNPXUDTLA-VXGBXAGGSA-N 0 1 225.332 2.362 10 0 BEAEMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c(F)c1 ZINC000686308000 954609639 /nfs/dbraw/zinc/60/96/39/954609639.db2.gz ARSAEQWZKOCDFL-JTQLQIEISA-N 0 1 239.290 2.287 10 0 BEAEMN CC(C)(C)C[N@@H+](CCCCF)CC(=O)[O-] ZINC000692599305 954701849 /nfs/dbraw/zinc/70/18/49/954701849.db2.gz IGXKRUNDNWNRGL-UHFFFAOYSA-N 0 1 219.300 2.169 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000706339653 969015029 /nfs/dbraw/zinc/01/50/29/969015029.db2.gz AMWLEBFOFGMBDL-IUCAKERBSA-N 0 1 235.274 2.073 10 0 BEAEMN Cc1coc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000718053332 969098017 /nfs/dbraw/zinc/09/80/17/969098017.db2.gz PWUGNAYRLJPWRR-LBPRGKRZSA-N 0 1 223.272 2.027 10 0 BEAEMN CC(C)C1(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1 ZINC000687538864 976145565 /nfs/dbraw/zinc/14/55/65/976145565.db2.gz YTXSWGNTJPJMTE-AAEUAGOBSA-N 0 1 239.359 2.465 10 0 BEAEMN O=C([O-])CC1(C[N@H+]2CCC23CCCC3)CC1 ZINC000688001404 976159920 /nfs/dbraw/zinc/15/99/20/976159920.db2.gz ZQIMBCMOZSJPRC-UHFFFAOYSA-N 0 1 223.316 2.260 10 0 BEAEMN CO[C@H](C)C[N@@H+](CCC(C)(C)C(=O)[O-])C(C)C ZINC000688113391 976169495 /nfs/dbraw/zinc/16/94/95/976169495.db2.gz CUOACUPWRDSLRZ-LLVKDONJSA-N 0 1 245.363 2.233 10 0 BEAEMN O=C([O-])c1cc(C[N@@H+]2CCC[C@@H](F)C2)cs1 ZINC000689423310 976254094 /nfs/dbraw/zinc/25/40/94/976254094.db2.gz BNOUQSOSRXPJQK-SECBINFHSA-N 0 1 243.303 2.380 10 0 BEAEMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H](F)C2)cs1 ZINC000689423310 976254101 /nfs/dbraw/zinc/25/41/01/976254101.db2.gz BNOUQSOSRXPJQK-SECBINFHSA-N 0 1 243.303 2.380 10 0 BEAEMN C[C@@H]1CCC[C@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628039 976378708 /nfs/dbraw/zinc/37/87/08/976378708.db2.gz LAFNUKPNKPQDAX-MNOVXSKESA-N 0 1 225.332 2.362 10 0 BEAEMN C[N@@H+](CC1CC(F)(F)C1)C(C)(C)CC(=O)[O-] ZINC000694074545 976666365 /nfs/dbraw/zinc/66/63/65/976666365.db2.gz ITFQFPNFQYGBMY-UHFFFAOYSA-N 0 1 235.274 2.217 10 0 BEAEMN CC(C)[C@@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000694571818 976701150 /nfs/dbraw/zinc/70/11/50/976701150.db2.gz UJSPMCMKAQVFKA-LLVKDONJSA-N 0 1 225.332 2.219 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000695084134 976776227 /nfs/dbraw/zinc/77/62/27/976776227.db2.gz RMAXJRGKNXMCMZ-NWDGAFQWSA-N 0 1 225.332 2.218 10 0 BEAEMN C[N@@H+](Cc1cncc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000702657851 977100428 /nfs/dbraw/zinc/10/04/28/977100428.db2.gz WLUFMRWULCOTTM-UHFFFAOYSA-N 0 1 242.706 2.030 10 0 BEAEMN O=C([O-])c1ccoc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000706324845 977312624 /nfs/dbraw/zinc/31/26/24/977312624.db2.gz IXKVBARZYNTGDK-ZETCQYMHSA-N 0 1 245.225 2.065 10 0 BEAEMN C[C@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H]1C ZINC000706744915 977360363 /nfs/dbraw/zinc/36/03/63/977360363.db2.gz UOBZVYHGLDLNCQ-QWRGUYRKSA-N 0 1 249.310 2.104 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000706745627 977360588 /nfs/dbraw/zinc/36/05/88/977360588.db2.gz XRPACLRSOQPPJJ-DTWKUNHWSA-N 0 1 237.274 2.364 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000706802904 977362950 /nfs/dbraw/zinc/36/29/50/977362950.db2.gz FRXNPQWQACZONM-QWRGUYRKSA-N 0 1 232.283 2.159 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000706823743 977363014 /nfs/dbraw/zinc/36/30/14/977363014.db2.gz BQZCMMDRXAKUDH-JGVFFNPUSA-N 0 1 223.272 2.126 10 0 BEAEMN O=C([O-])c1coc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000706802535 977363223 /nfs/dbraw/zinc/36/32/23/977363223.db2.gz DIRVEISQHQJPIK-CABZTGNLSA-N 0 1 235.283 2.352 10 0 BEAEMN O=C([O-])c1occc1C[N@H+]1CCC12CCCC2 ZINC000707307891 977383077 /nfs/dbraw/zinc/38/30/77/977383077.db2.gz UKSLSWWPGCKUHK-UHFFFAOYSA-N 0 1 235.283 2.496 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC23CCCC3)nc1 ZINC000707352782 977388049 /nfs/dbraw/zinc/38/80/49/977388049.db2.gz RZWUNKCTNKDZMC-UHFFFAOYSA-N 0 1 246.310 2.298 10 0 BEAEMN C[C@@H]1Cc2c([nH+]cn2CC2(C(=O)[O-])CC2)C[C@@H]1C ZINC000709462651 977459275 /nfs/dbraw/zinc/45/92/75/977459275.db2.gz PQRPRCXSPFCAEN-VHSXEESVSA-N 0 1 248.326 2.119 10 0 BEAEMN CC(C)=CCC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710230344 977496420 /nfs/dbraw/zinc/49/64/20/977496420.db2.gz TZKLCOGYHXWZCZ-AAEUAGOBSA-N 0 1 225.332 2.385 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])cs2)[C@@H]1C ZINC000711424374 977546110 /nfs/dbraw/zinc/54/61/10/977546110.db2.gz XTNQKSWBDDPEPU-HTQZYQBOSA-N 0 1 225.313 2.287 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000718058844 977937816 /nfs/dbraw/zinc/93/78/16/977937816.db2.gz QFIYGXRWWMAZLD-DRZSPHRISA-N 0 1 249.310 2.273 10 0 BEAEMN C/C(=C\C[N@H+](C)C1(C)CCCC1)C(=O)[O-] ZINC000720330886 978028312 /nfs/dbraw/zinc/02/83/12/978028312.db2.gz JKDRDRLUIXHVHH-UXBLZVDNSA-N 0 1 211.305 2.282 10 0 BEAEMN C/C(=C/C[N@H+](C)C1(C)CCCC1)C(=O)[O-] ZINC000720330576 978028469 /nfs/dbraw/zinc/02/84/69/978028469.db2.gz JKDRDRLUIXHVHH-POHAHGRESA-N 0 1 211.305 2.282 10 0 BEAEMN CC[C@@H](OCC(F)(F)CN)C1CCC1 ZINC000685955911 538901705 /nfs/dbraw/zinc/90/17/05/538901705.db2.gz SSBLIRZQMKRGBB-SECBINFHSA-N 0 1 207.264 2.176 10 0 BEAEMN NCC(F)(F)COCC1CCCCC1 ZINC000685956371 538902373 /nfs/dbraw/zinc/90/23/73/538902373.db2.gz SMWOJMIVIYAJCZ-UHFFFAOYSA-N 0 1 207.264 2.177 10 0 BEAEMN CCCCn1cc2c(n1)[C@H](C)NC(=S)O2 ZINC000685965830 538912664 /nfs/dbraw/zinc/91/26/64/538912664.db2.gz VDRDDWIZKXJOJJ-ZETCQYMHSA-N 0 1 225.317 2.011 10 0 BEAEMN CN1CCc2ccccc2[C@@H]1c1ccncn1 ZINC000616588329 349490518 /nfs/dbraw/zinc/49/05/18/349490518.db2.gz QGGGVKWNUHUANK-CQSZACIVSA-N 0 1 225.295 2.054 10 0 BEAEMN Cc1cc(CNCc2cn[nH]c2)cc(C)c1O ZINC000038006093 178027953 /nfs/dbraw/zinc/02/79/53/178027953.db2.gz ALSYCBSUDQMSQL-UHFFFAOYSA-N 0 1 231.299 2.022 10 0 BEAEMN Cc1cc(Cc2nc3ccccc3[nH]2)[nH]n1 ZINC000196551924 178058898 /nfs/dbraw/zinc/05/88/98/178058898.db2.gz ZYNDPLANGWCCEO-UHFFFAOYSA-N 0 1 212.256 2.185 10 0 BEAEMN Cc1cc(F)ccc1CNCc1cn[nH]c1 ZINC000050577124 178086689 /nfs/dbraw/zinc/08/66/89/178086689.db2.gz BNYVUJWMRHIDSJ-UHFFFAOYSA-N 0 1 219.263 2.147 10 0 BEAEMN Cc1cc(N(C)CCc2ccncc2)ncc1N ZINC000036250886 178098972 /nfs/dbraw/zinc/09/89/72/178098972.db2.gz FOHRHGTYBYRBDB-UHFFFAOYSA-N 0 1 242.326 2.046 10 0 BEAEMN Cc1nccc(N2CC[C@H](CCO)C2)c1Cl ZINC000309325306 136217983 /nfs/dbraw/zinc/21/79/83/136217983.db2.gz HUVOEFWXBBEBRP-SNVBAGLBSA-N 0 1 240.734 2.252 10 0 BEAEMN Cc1cc([C@@H](C)NC[C@H](O)C(C)(C)C)no1 ZINC000336729022 178227515 /nfs/dbraw/zinc/22/75/15/178227515.db2.gz CWYAZLOSGFIYCG-KOLCDFICSA-N 0 1 226.320 2.041 10 0 BEAEMN C1CCC(c2nc3c(o2)CNCC3)CC1 ZINC000076640523 398244369 /nfs/dbraw/zinc/24/43/69/398244369.db2.gz XEHGWEZKLUHEQB-UHFFFAOYSA-N 0 1 206.289 2.368 10 0 BEAEMN Cc1cc2ccccc2c(NC[C@@H](C)O)n1 ZINC000302026590 178297380 /nfs/dbraw/zinc/29/73/80/178297380.db2.gz GYIJVEXIAJZVME-SNVBAGLBSA-N 0 1 216.284 2.336 10 0 BEAEMN Cc1ccc(-c2nc([C@H](C)N)no2)cc1F ZINC000041052280 178336683 /nfs/dbraw/zinc/33/66/83/178336683.db2.gz VVBKYWSMGUSVMM-ZETCQYMHSA-N 0 1 221.235 2.204 10 0 BEAEMN Cc1ccc(-c2nc([C@H](C)N)no2)s1 ZINC000041052300 178337663 /nfs/dbraw/zinc/33/76/63/178337663.db2.gz BEPFQRJQNFTFEK-LURJTMIESA-N 0 1 209.274 2.126 10 0 BEAEMN Cc1ccc(-c2nnc([C@H]3CCCO3)[nH]2)cc1N ZINC000072236724 178331001 /nfs/dbraw/zinc/33/10/01/178331001.db2.gz CAUMFEHGHKZPCT-LLVKDONJSA-N 0 1 244.298 2.214 10 0 BEAEMN CC(C)[N@H+]1Cc2ccccc2[C@@H]1CC(=O)[O-] ZINC000149792072 342794960 /nfs/dbraw/zinc/79/49/60/342794960.db2.gz DVWGICSQDVNBJR-LBPRGKRZSA-N 0 1 219.284 2.426 10 0 BEAEMN CCC(CC)[NH2+][C@@H](C)c1c(C)nc(C)[n-]c1=O ZINC000037642561 168391337 /nfs/dbraw/zinc/39/13/37/168391337.db2.gz AHGDIDVIMJSEFW-VIFPVBQESA-N 0 1 237.347 2.226 10 0 BEAEMN CN1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)C2=O ZINC000035962662 342811416 /nfs/dbraw/zinc/81/14/16/342811416.db2.gz TWMONWHWHWPJFW-YNEHKIRRSA-N 0 1 215.296 2.206 10 0 BEAEMN CCC(CC)[NH2+][C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000037642562 168392735 /nfs/dbraw/zinc/39/27/35/168392735.db2.gz AHGDIDVIMJSEFW-SECBINFHSA-N 0 1 237.347 2.226 10 0 BEAEMN OC[C@@H](NC1CSC1)c1ccc(Cl)cc1 ZINC000379979769 538983240 /nfs/dbraw/zinc/98/32/40/538983240.db2.gz GSVRTLLDQHXNLN-LLVKDONJSA-N 0 1 243.759 2.078 10 0 BEAEMN OC[C@@H]1C[C@H]1NCc1cccc(Cl)c1Cl ZINC000379977007 538983451 /nfs/dbraw/zinc/98/34/51/538983451.db2.gz FBEFRYNVHKLDJX-WCBMZHEXSA-N 0 1 246.137 2.464 10 0 BEAEMN C[C@@H]1C[C@@]2(CS1)NC[C@@H](C)CS2 ZINC000226587280 342842474 /nfs/dbraw/zinc/84/24/74/342842474.db2.gz YFMNBZORCATZLI-IWSPIJDZSA-N 0 1 203.376 2.181 10 0 BEAEMN CC(C)(C)OC(=O)c1cccc2nc(N)[nH]c21 ZINC000725265321 539026953 /nfs/dbraw/zinc/02/69/53/539026953.db2.gz ZWEZDSIJCNLVRD-UHFFFAOYSA-N 0 1 233.271 2.100 10 0 BEAEMN CCNCc1ccoc1Br ZINC000233508594 342869480 /nfs/dbraw/zinc/86/94/80/342869480.db2.gz UWOIUNOXNBLTAT-UHFFFAOYSA-N 0 1 204.067 2.152 10 0 BEAEMN NC1(C(=O)c2sccc2Cl)CCC1 ZINC000229958258 342860240 /nfs/dbraw/zinc/86/02/40/342860240.db2.gz OWHIFNIQMQIPGH-UHFFFAOYSA-N 0 1 215.705 2.466 10 0 BEAEMN CC[N@H+]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC000040502568 346901815 /nfs/dbraw/zinc/90/18/15/346901815.db2.gz QQSMLSDALXWXNW-LLVKDONJSA-N 0 1 239.388 2.025 10 0 BEAEMN FC(F)(F)c1ccn([C@H]2CCCCN2)n1 ZINC000584880850 343081510 /nfs/dbraw/zinc/08/15/10/343081510.db2.gz JHDBXMGBZRCGMX-QMMMGPOBSA-N 0 1 219.210 2.174 10 0 BEAEMN Nc1cnc2ccc(Cl)c(F)c2c1N ZINC000584882232 343084813 /nfs/dbraw/zinc/08/48/13/343084813.db2.gz VRQLNPXYFUBDCB-UHFFFAOYSA-N 0 1 211.627 2.022 10 0 BEAEMN O=c1cccc(-c2ccccc2)c(O)c1O ZINC000013775878 343104075 /nfs/dbraw/zinc/10/40/75/343104075.db2.gz YWTYQKFAKCEALI-UHFFFAOYSA-N 0 1 214.220 2.125 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062750129 346927463 /nfs/dbraw/zinc/92/74/63/346927463.db2.gz GLEUJJKLVVLIQL-OUAUKWLOSA-N 0 1 211.305 2.114 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@H]1c1cccc(Cl)c1 ZINC000250649878 343123456 /nfs/dbraw/zinc/12/34/56/343123456.db2.gz WKLWDSQICCQFGI-KOLCDFICSA-N 0 1 239.702 2.417 10 0 BEAEMN Cc1[nH]nc2c1c(=O)[nH]c1ccc(Cl)cc21 ZINC000028956968 343135256 /nfs/dbraw/zinc/13/52/56/343135256.db2.gz AYVAHPLCRORVEN-UHFFFAOYSA-N 0 1 233.658 2.366 10 0 BEAEMN COC[C@H](C)CNc1ccc2c(n1)CCC2 ZINC000127591095 343178506 /nfs/dbraw/zinc/17/85/06/343178506.db2.gz UCUSPSGVXZPGLX-SNVBAGLBSA-N 0 1 220.316 2.265 10 0 BEAEMN CCc1cc(C(=O)N(C)Cc2ccc(C)o2)n[nH]1 ZINC000032194816 343230728 /nfs/dbraw/zinc/23/07/28/343230728.db2.gz UGTOBWSARPIROG-UHFFFAOYSA-N 0 1 247.298 2.146 10 0 BEAEMN Cn1ccnc1CNCCSc1ccccc1 ZINC000037855483 343358247 /nfs/dbraw/zinc/35/82/47/343358247.db2.gz SCRBALLUYNVKFN-UHFFFAOYSA-N 0 1 247.367 2.302 10 0 BEAEMN Nc1c2cc([O-])ccc2[nH+]c2c1CCCC2 ZINC000028397705 343378562 /nfs/dbraw/zinc/37/85/62/343378562.db2.gz MFYFDYREFFENNR-UHFFFAOYSA-N 0 1 214.268 2.401 10 0 BEAEMN CCN(C(=O)c1[nH]nc2ccc(N)cc21)C(C)C ZINC000048278002 343575458 /nfs/dbraw/zinc/57/54/58/343575458.db2.gz HTFGOERCQNBEKY-UHFFFAOYSA-N 0 1 246.314 2.016 10 0 BEAEMN Cc1nnsc1[C@H]1NCCc2ccsc21 ZINC000712545563 537791535 /nfs/dbraw/zinc/79/15/35/537791535.db2.gz RLZDINSYISRBPP-MRVPVSSYSA-N 0 1 237.353 2.143 10 0 BEAEMN c1cc2c(s1)[C@@H](c1cnsc1)NCC2 ZINC000712923373 537796723 /nfs/dbraw/zinc/79/67/23/537796723.db2.gz LFWQBDUZKOLCEN-SECBINFHSA-N 0 1 222.338 2.440 10 0 BEAEMN C[C@H]1CCCCN1c1cc(N)nc(C2CC2)n1 ZINC000126858911 343786613 /nfs/dbraw/zinc/78/66/13/343786613.db2.gz NNWSRUQEKHUIMB-VIFPVBQESA-N 0 1 232.331 2.315 10 0 BEAEMN CNc1cc(N2CCCCC2)nc(C2CC2)n1 ZINC000126871586 343786628 /nfs/dbraw/zinc/78/66/28/343786628.db2.gz PVGIVQPAMQKWHH-UHFFFAOYSA-N 0 1 232.331 2.386 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000212891116 343791975 /nfs/dbraw/zinc/79/19/75/343791975.db2.gz NUOMWGOJVGKZPL-GZMMTYOYSA-N 0 1 239.702 2.417 10 0 BEAEMN C[C@H](C(=O)[O-])[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000409427267 343800536 /nfs/dbraw/zinc/80/05/36/343800536.db2.gz IMXHXIJHFGVYBL-ZYHUDNBSSA-N 0 1 234.299 2.082 10 0 BEAEMN CCc1n[nH]c(-c2ccoc2)c1C(=O)OC ZINC000409440697 343853480 /nfs/dbraw/zinc/85/34/80/343853480.db2.gz NYIOWNHVUANFLS-UHFFFAOYSA-N 0 1 220.228 2.019 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](CC)C1CCSCC1 ZINC000409435954 343836814 /nfs/dbraw/zinc/83/68/14/343836814.db2.gz XLURHAIZYMJCTN-SNVBAGLBSA-N 0 1 231.361 2.067 10 0 BEAEMN C[N@H+]1C[C@H](CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000409437625 343843069 /nfs/dbraw/zinc/84/30/69/343843069.db2.gz AKWHEZZITCJFAD-BXKDBHETSA-N 0 1 225.719 2.325 10 0 BEAEMN OCCc1c(C2CCC2)n[nH]c1C(F)(F)F ZINC000409439397 343847610 /nfs/dbraw/zinc/84/76/10/343847610.db2.gz PHBFHJHHTZKMFS-UHFFFAOYSA-N 0 1 234.221 2.231 10 0 BEAEMN COC(=O)c1c(C2CCC2)n[nH]c1C(F)(F)F ZINC000409441655 343860697 /nfs/dbraw/zinc/86/06/97/343860697.db2.gz SMEMWGGWCACLGT-UHFFFAOYSA-N 0 1 248.204 2.483 10 0 BEAEMN C[C@@H]1CO[C@@H](c2csc(Cl)c2)CN1 ZINC000235338145 343957526 /nfs/dbraw/zinc/95/75/26/343957526.db2.gz LSERJZILOLLMQI-HTRCEHHLSA-N 0 1 217.721 2.451 10 0 BEAEMN O=c1[nH]cnc(NCc2cccs2)c1Cl ZINC000165724994 343966435 /nfs/dbraw/zinc/96/64/35/343966435.db2.gz OVXKMPWVUXRSCY-UHFFFAOYSA-N 0 1 241.703 2.097 10 0 BEAEMN Cc1cc(Cl)ccc1[C@@H]1COC(=N)N1 ZINC000235864886 344150188 /nfs/dbraw/zinc/15/01/88/344150188.db2.gz VICOLHFTEAKJRI-VIFPVBQESA-N 0 1 210.664 2.034 10 0 BEAEMN C[C@H]1CC[C@H](Nc2nc[nH]c(=O)c2Cl)C1 ZINC000165980045 344264337 /nfs/dbraw/zinc/26/43/37/344264337.db2.gz URJOUDOENAJFHY-BQBZGAKWSA-N 0 1 227.695 2.024 10 0 BEAEMN COc1ccc(Cl)cc1[C@H](N)CF ZINC000107145531 344479496 /nfs/dbraw/zinc/47/94/96/344479496.db2.gz XBEZGTITVSXFAJ-MRVPVSSYSA-N 0 1 203.644 2.318 10 0 BEAEMN C[C@H]1C[C@@](O)(c2ccc(Cl)s2)CN1C ZINC000127474588 344545469 /nfs/dbraw/zinc/54/54/69/344545469.db2.gz DBCWRBNEPSGTCV-XVKPBYJWSA-N 0 1 231.748 2.313 10 0 BEAEMN Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O ZINC000029485641 344657333 /nfs/dbraw/zinc/65/73/33/344657333.db2.gz KOTFPNOCGYLHOZ-UHFFFAOYSA-N 0 1 244.246 2.079 10 0 BEAEMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1cccs1 ZINC000227624276 344672523 /nfs/dbraw/zinc/67/25/23/344672523.db2.gz VSFBHOMWAWDIKF-WCBMZHEXSA-N 0 1 225.313 2.358 10 0 BEAEMN CCOC(=O)c1cc(Cl)cc(O)c1C#N ZINC000396146783 344620485 /nfs/dbraw/zinc/62/04/85/344620485.db2.gz XHFQCKCRVGKBEX-UHFFFAOYSA-N 0 1 225.631 2.094 10 0 BEAEMN CSC1CCC(N2CCC(=O)CC2)CC1 ZINC000235246043 344856783 /nfs/dbraw/zinc/85/67/83/344856783.db2.gz MOIXMUKPSPPMOJ-UHFFFAOYSA-N 0 1 227.373 2.326 10 0 BEAEMN C[C@@H]1CCC[N@@H+](C2CCCC2)[C@@H]1C(=O)[O-] ZINC000235297458 344876181 /nfs/dbraw/zinc/87/61/81/344876181.db2.gz HLCSYCPBHPNBHN-KOLCDFICSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1CC(C)(C)C ZINC000235607949 344953379 /nfs/dbraw/zinc/95/33/79/344953379.db2.gz ABJFUDFLKDLFCX-UWVGGRQHSA-N 0 1 213.321 2.218 10 0 BEAEMN NCc1ncc(Cl)cc1OC(F)(F)F ZINC000238603518 345089568 /nfs/dbraw/zinc/08/95/68/345089568.db2.gz UYZVVNGBEQTCRG-UHFFFAOYSA-N 0 1 226.585 2.092 10 0 BEAEMN O=CNc1cc(Cl)cc(Cl)c1O ZINC000221424764 345266155 /nfs/dbraw/zinc/26/61/55/345266155.db2.gz YPEPYPISMFIVSS-UHFFFAOYSA-N 0 1 206.028 2.267 10 0 BEAEMN CCC[C@H](C)CN(CC(=O)OC)C(C)C ZINC000051323743 345401286 /nfs/dbraw/zinc/40/12/86/345401286.db2.gz KGHARWKIPRPQOJ-NSHDSACASA-N 0 1 215.337 2.306 10 0 BEAEMN CC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1O ZINC000159494604 345465879 /nfs/dbraw/zinc/46/58/79/345465879.db2.gz HGBZITKGXRUALW-OCCSQVGLSA-N 0 1 237.318 2.419 10 0 BEAEMN Cc1ccc(C=O)c(O)c1Br ZINC000214882002 345470104 /nfs/dbraw/zinc/47/01/04/345470104.db2.gz KRVLQRNVOZNPLV-UHFFFAOYSA-N 0 1 215.046 2.276 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1cccc(Cl)c1 ZINC000250649879 345484831 /nfs/dbraw/zinc/48/48/31/345484831.db2.gz WKLWDSQICCQFGI-ONGXEEELSA-N 0 1 239.702 2.417 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000250650808 345484910 /nfs/dbraw/zinc/48/49/10/345484910.db2.gz WQDFALBSBODLEE-KOLCDFICSA-N 0 1 239.702 2.417 10 0 BEAEMN O=C1CCC[C@@H]1N1Cc2ccccc2C1 ZINC000050911713 345626385 /nfs/dbraw/zinc/62/63/85/345626385.db2.gz LCHOAGRNNDPNRD-LBPRGKRZSA-N 0 1 201.269 2.124 10 0 BEAEMN CNc1ccc2c(c1)N(Cc1cnc[nH]1)CC2 ZINC000034894179 345845652 /nfs/dbraw/zinc/84/56/52/345845652.db2.gz OBLUYOWXNJNRKH-UHFFFAOYSA-N 0 1 228.299 2.014 10 0 BEAEMN CCOC(=O)[C@H](CCC=O)C(=O)c1ccccc1 ZINC000034543229 345831610 /nfs/dbraw/zinc/83/16/10/345831610.db2.gz PMCPKGYJKASXPU-GFCCVEGCSA-N 0 1 248.278 2.028 10 0 BEAEMN C[C@]1(CCc2ccc(O)cc2)CC(=O)CC(=O)O1 ZINC000143720301 345866736 /nfs/dbraw/zinc/86/67/36/345866736.db2.gz NPOWKJDGPQVIJY-AWEZNQCLSA-N 0 1 248.278 2.472 10 0 BEAEMN Cc1cc(Cl)ccc1CNC1COC1 ZINC000235788789 345869883 /nfs/dbraw/zinc/86/98/83/345869883.db2.gz BBWDOVJUAAJPMZ-UHFFFAOYSA-N 0 1 211.692 2.137 10 0 BEAEMN Nc1c(C2CC2)ncn1Cc1ccccc1 ZINC000106519339 346198770 /nfs/dbraw/zinc/19/87/70/346198770.db2.gz NWTHXUVIPNKJSC-UHFFFAOYSA-N 0 1 213.284 2.391 10 0 BEAEMN CC(C)(C)C(=O)CNCc1ccccc1 ZINC000034076677 346190165 /nfs/dbraw/zinc/19/01/65/346190165.db2.gz GFCIQYPTMDHVHU-UHFFFAOYSA-N 0 1 205.301 2.391 10 0 BEAEMN N[C@@H](c1ccoc1Br)C1=CCCO1 ZINC000236317339 346224850 /nfs/dbraw/zinc/22/48/50/346224850.db2.gz GNLVKTSHYYZJLN-QMMMGPOBSA-N 0 1 244.088 2.346 10 0 BEAEMN Cc1cccc(CNCc2cccn2C)n1 ZINC000051573668 179095788 /nfs/dbraw/zinc/09/57/88/179095788.db2.gz OLRSJKGFOXEODO-UHFFFAOYSA-N 0 1 215.300 2.018 10 0 BEAEMN COC(=O)[C@@H]1CCC[C@@H](c2ccccc2)C1=O ZINC000168771257 346743160 /nfs/dbraw/zinc/74/31/60/346743160.db2.gz SZKVDOPDAHZUIS-NWDGAFQWSA-N 0 1 232.279 2.312 10 0 BEAEMN COc1ccc(-c2cccc(O)c(O)c2=O)cc1 ZINC000039151363 347181384 /nfs/dbraw/zinc/18/13/84/347181384.db2.gz FZVVMVJRJPESNG-UHFFFAOYSA-N 0 1 244.246 2.134 10 0 BEAEMN Nc1cccc(CCc2ccc(C(=O)[O-])cc2)[nH+]1 ZINC000039187649 347183586 /nfs/dbraw/zinc/18/35/86/347183586.db2.gz PWAIURRVMGQHLE-UHFFFAOYSA-N 0 1 242.278 2.147 10 0 BEAEMN Cc1cccc2sc(C[C@H]3COCCN3)nc21 ZINC000076167417 179234545 /nfs/dbraw/zinc/23/45/45/179234545.db2.gz LRDWFMKLWZBNGG-JTQLQIEISA-N 0 1 248.351 2.136 10 0 BEAEMN C[N@H+](Cc1ocnc1C(=O)[O-])Cc1ccccc1 ZINC000616568533 347447754 /nfs/dbraw/zinc/44/77/54/347447754.db2.gz KAZBCLWPJSGYNV-UHFFFAOYSA-N 0 1 246.266 2.005 10 0 BEAEMN C[N@@H+](Cc1ocnc1C(=O)[O-])Cc1ccccc1 ZINC000616568533 347447756 /nfs/dbraw/zinc/44/77/56/347447756.db2.gz KAZBCLWPJSGYNV-UHFFFAOYSA-N 0 1 246.266 2.005 10 0 BEAEMN Cc1ccccc1C(=O)C1(N)CCCC1 ZINC000071508637 179246611 /nfs/dbraw/zinc/24/66/11/179246611.db2.gz BKNOWHQZKXITRL-UHFFFAOYSA-N 0 1 203.285 2.449 10 0 BEAEMN Cc1ccccc1Cc1nnc([C@@H](C)N)s1 ZINC000083333072 179293579 /nfs/dbraw/zinc/29/35/79/179293579.db2.gz HTMRYMMDHKROJM-SECBINFHSA-N 0 1 233.340 2.457 10 0 BEAEMN CCCC[C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCC[N@@H+]12 ZINC000669382972 538006751 /nfs/dbraw/zinc/00/67/51/538006751.db2.gz QCORUKFZTKNLCS-VWYCJHECSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H]1CSCCN1[C@H]1CCCCCC1=O ZINC000251833346 362932719 /nfs/dbraw/zinc/93/27/19/362932719.db2.gz PTDABVQXBKVNPG-MNOVXSKESA-N 0 1 227.373 2.326 10 0 BEAEMN COC(=O)C1C(=O)CCc2ccc(OC)cc21 ZINC000198833972 348991391 /nfs/dbraw/zinc/99/13/91/348991391.db2.gz VQSYULOVJSHIQC-UHFFFAOYSA-N 0 1 234.251 2.084 10 0 BEAEMN OC[C@@H]1C[C@H]1NCc1cc(Cl)ccc1Cl ZINC000308920078 349067807 /nfs/dbraw/zinc/06/78/07/349067807.db2.gz IMLVDMPYOLEWGP-GZMMTYOYSA-N 0 1 246.137 2.464 10 0 BEAEMN Cc1csc(C2(N[C@H]3CCOC3)CCC2)n1 ZINC000272002737 179768313 /nfs/dbraw/zinc/76/83/13/179768313.db2.gz UJUNBAWUHAHUHN-JTQLQIEISA-N 0 1 238.356 2.209 10 0 BEAEMN Cc1cc(C(F)F)nc([C@H](N)C(C)C)n1 ZINC000616578843 349127527 /nfs/dbraw/zinc/12/75/27/349127527.db2.gz QRZYDOGPLJHQPJ-MRVPVSSYSA-N 0 1 215.247 2.378 10 0 BEAEMN Cc1nc2cc(N)cc(Br)c2[nH]1 ZINC000059098850 349203167 /nfs/dbraw/zinc/20/31/67/349203167.db2.gz MEMLMNQGUZOILD-UHFFFAOYSA-N 0 1 226.077 2.216 10 0 BEAEMN C[C@H](c1ccccc1)[C@@H](N)c1ncccn1 ZINC000725255292 538051755 /nfs/dbraw/zinc/05/17/55/538051755.db2.gz YRACVUZZXYMIFW-ZYHUDNBSSA-N 0 1 213.284 2.280 10 0 BEAEMN Cc1nccc(N[C@@H](C)[C@H](C)O)c1Cl ZINC000307142587 180201980 /nfs/dbraw/zinc/20/19/80/180201980.db2.gz KFPHZGVSVRXMRS-XPUUQOCRSA-N 0 1 214.696 2.225 10 0 BEAEMN Cc1cnc([C@@H](C)N[C@@H]2CCCOC2)s1 ZINC000125268393 490425670 /nfs/dbraw/zinc/42/56/70/490425670.db2.gz KLIXCYGGAOYKLW-NXEZZACHSA-N 0 1 226.345 2.281 10 0 BEAEMN Cc1ncsc1[C@H](C)NCc1cnn(C)c1 ZINC000041054776 180327422 /nfs/dbraw/zinc/32/74/22/180327422.db2.gz LXBWXOXAERNTFU-QMMMGPOBSA-N 0 1 236.344 2.036 10 0 BEAEMN Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)[nH]1 ZINC000022013099 180329296 /nfs/dbraw/zinc/32/92/96/180329296.db2.gz LUYDKQMWOGHCOP-UHFFFAOYSA-N 0 1 244.081 2.176 10 0 BEAEMN COc1cc2[nH]nc(C=O)c2c(Cl)c1 ZINC000014984595 350473408 /nfs/dbraw/zinc/47/34/08/350473408.db2.gz SDIYDRWCLATXJR-UHFFFAOYSA-N 0 1 210.620 2.037 10 0 BEAEMN CC(C)(C)N1CCCOC[C@H]1c1ccncn1 ZINC000616596648 350634224 /nfs/dbraw/zinc/63/42/24/350634224.db2.gz GMWCPEDVLBKNHK-LBPRGKRZSA-N 0 1 235.331 2.039 10 0 BEAEMN CC(C)(C)N1CCCOC[C@@H]1c1cncnc1 ZINC000616598480 350672508 /nfs/dbraw/zinc/67/25/08/350672508.db2.gz BKXXBSGIUUFYDY-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN CC[N@H+]1CCOCC[C@H]1c1ccccc1C(=O)[O-] ZINC000616598830 350687346 /nfs/dbraw/zinc/68/73/46/350687346.db2.gz SMZOKYNUDWNUHD-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CC[N@H+]1CCOCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616599826 350759235 /nfs/dbraw/zinc/75/92/35/350759235.db2.gz XMVWRLFSBHESQH-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN c1nnc([C@H]2CCCN2Cc2ccccc2)[nH]1 ZINC000616606727 350798067 /nfs/dbraw/zinc/79/80/67/350798067.db2.gz IZASERADKSPDGF-GFCCVEGCSA-N 0 1 228.299 2.142 10 0 BEAEMN Nc1n[nH]cc1[C@H]1CCCN1Cc1ccccc1 ZINC000616606694 350798377 /nfs/dbraw/zinc/79/83/77/350798377.db2.gz IDYDHCLFDNEQSO-CYBMUJFWSA-N 0 1 242.326 2.159 10 0 BEAEMN Nc1cnnc(NCc2ccccc2)c1Cl ZINC000306684968 350841868 /nfs/dbraw/zinc/84/18/68/350841868.db2.gz DMXDPCYEBINEAM-UHFFFAOYSA-N 0 1 234.690 2.324 10 0 BEAEMN CC1(C)CC[C@H]1[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000306733218 350903227 /nfs/dbraw/zinc/90/32/27/350903227.db2.gz SRMGQRXFWSSQCG-NXEZZACHSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)CC[C@H]1C ZINC000251956340 350907268 /nfs/dbraw/zinc/90/72/68/350907268.db2.gz XFZQLRGEXKSAOV-GMTAPVOTSA-N 0 1 213.321 2.216 10 0 BEAEMN CCn1ccnc1N[C@H]1CS[C@@H](C)C1 ZINC000306746319 350934301 /nfs/dbraw/zinc/93/43/01/350934301.db2.gz JZUUNDXPRAHMHH-DTWKUNHWSA-N 0 1 211.334 2.209 10 0 BEAEMN CN[C@@H](c1cncs1)c1cocc1C ZINC000306808743 351060546 /nfs/dbraw/zinc/06/05/46/351060546.db2.gz PYQXZXLHVYFOLS-SNVBAGLBSA-N 0 1 208.286 2.353 10 0 BEAEMN NCc1coc(-c2coc(Br)c2)n1 ZINC000306810920 351078476 /nfs/dbraw/zinc/07/84/76/351078476.db2.gz VQJXFIVMUOAKKC-UHFFFAOYSA-N 0 1 243.060 2.156 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](c2ccccc2CO)C1 ZINC000616644810 351165059 /nfs/dbraw/zinc/16/50/59/351165059.db2.gz JFTXVHSIOKDODH-CQSZACIVSA-N 0 1 249.354 2.351 10 0 BEAEMN CC(C)[N@H+]1CCO[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616646578 351171388 /nfs/dbraw/zinc/17/13/88/351171388.db2.gz JKPRZYNBYSKNNW-ZDUSSCGKSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)(C)N1CCO[C@H](c2ccc(N)cc2)C1 ZINC000616646647 351172283 /nfs/dbraw/zinc/17/22/83/351172283.db2.gz KQOHCDKFDVIRKM-ZDUSSCGKSA-N 0 1 234.343 2.441 10 0 BEAEMN CN1CCCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616650628 351184503 /nfs/dbraw/zinc/18/45/03/351184503.db2.gz FAJXENLMWZDWHJ-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN CC[N@H+]1CCCO[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616652071 351189977 /nfs/dbraw/zinc/18/99/77/351189977.db2.gz CYFWYWXHUDBZNX-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)N1CCOC[C@@H]1c1ccccc1N ZINC000616638481 351138905 /nfs/dbraw/zinc/13/89/05/351138905.db2.gz VBGDVOOQYMTOHG-CYBMUJFWSA-N 0 1 220.316 2.051 10 0 BEAEMN Cc1ccc(N)c(N[C@@H](C)C(F)F)n1 ZINC000306860711 351236694 /nfs/dbraw/zinc/23/66/94/351236694.db2.gz FAWGJPYQBKTYGS-LURJTMIESA-N 0 1 201.220 2.038 10 0 BEAEMN CCN1CCc2ccccc2[C@H]1c1ccnnc1 ZINC000616679000 351249084 /nfs/dbraw/zinc/24/90/84/351249084.db2.gz IEKCHJMWTVEXOK-OAHLLOKOSA-N 0 1 239.322 2.444 10 0 BEAEMN CCN1CCc2ccccc2[C@H]1c1ccncn1 ZINC000616678744 351249189 /nfs/dbraw/zinc/24/91/89/351249189.db2.gz FTMXVTRVDBOGCJ-HNNXBMFYSA-N 0 1 239.322 2.444 10 0 BEAEMN CCN1c2ccccc2NC[C@H]1c1cnc[nH]1 ZINC000616686148 351256245 /nfs/dbraw/zinc/25/62/45/351256245.db2.gz IWLRXRLZEWEFIU-ZDUSSCGKSA-N 0 1 228.299 2.403 10 0 BEAEMN COc1cccc([C@H]2CCOCCN2C)c1 ZINC000616655635 351200374 /nfs/dbraw/zinc/20/03/74/351200374.db2.gz IXJDKMCHZVNGDI-CYBMUJFWSA-N 0 1 221.300 2.088 10 0 BEAEMN F[C@@H](c1ccns1)[C@H]1CCCCN1 ZINC000306875932 351270469 /nfs/dbraw/zinc/27/04/69/351270469.db2.gz BBMHWTMAUCVARZ-VXNVDRBHSA-N 0 1 200.282 2.296 10 0 BEAEMN C[C@@H]1CSC[C@@]12NCC[C@@H](C)S2 ZINC000307153487 351506624 /nfs/dbraw/zinc/50/66/24/351506624.db2.gz JYUUFYPDMVRQCO-HLTSFMKQSA-N 0 1 203.376 2.181 10 0 BEAEMN Clc1cnc[nH]c1=NO[C@@H]1CCCCO1 ZINC000302610426 180600885 /nfs/dbraw/zinc/60/08/85/180600885.db2.gz DWAYNQOFILPUOP-MRVPVSSYSA-N 0 1 229.667 2.000 10 0 BEAEMN O=C(c1cscn1)C1CC(F)(F)C1 ZINC000307316288 351992544 /nfs/dbraw/zinc/99/25/44/351992544.db2.gz JLFKSVIIQYXZGT-UHFFFAOYSA-N 0 1 203.213 2.371 10 0 BEAEMN N[C@H](c1coc(Br)c1)c1ccc[nH]1 ZINC000307374490 352473702 /nfs/dbraw/zinc/47/37/02/352473702.db2.gz UDGIITCNRFHKMZ-SECBINFHSA-N 0 1 241.088 2.418 10 0 BEAEMN COC(=O)c1cc(O)c(Cl)cc1Cl ZINC000307417263 352589248 /nfs/dbraw/zinc/58/92/48/352589248.db2.gz JWACFOLONSQNOX-UHFFFAOYSA-N 0 1 221.039 2.486 10 0 BEAEMN C[C@@H]1/C(=C/C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000307538996 352643516 /nfs/dbraw/zinc/64/35/16/352643516.db2.gz PVXBEGUDSPVQEG-VSXLWIIGSA-N 0 1 231.295 2.292 10 0 BEAEMN CC[C@@H]1CN(Cc2cccc(N)c2C)CCO1 ZINC000036768906 187767646 /nfs/dbraw/zinc/76/76/46/187767646.db2.gz MQZYTLVAHGFCSR-CYBMUJFWSA-N 0 1 234.343 2.188 10 0 BEAEMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1cccs1 ZINC000133915581 352668276 /nfs/dbraw/zinc/66/82/76/352668276.db2.gz VSFBHOMWAWDIKF-SCZZXKLOSA-N 0 1 225.313 2.358 10 0 BEAEMN CC[C@@](C)(C(C)=O)N1CCSC[C@H]1C ZINC000307618588 352675745 /nfs/dbraw/zinc/67/57/45/352675745.db2.gz ZCKKCZGAIKRQTM-KOLCDFICSA-N 0 1 215.362 2.181 10 0 BEAEMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000147066881 538109393 /nfs/dbraw/zinc/10/93/93/538109393.db2.gz NAPCCAHFOLFWRQ-ZIAGYGMSSA-N 0 1 247.338 2.475 10 0 BEAEMN C[C@@H]1CO[C@H](c2cc(F)ccc2F)CN1 ZINC000036673462 188103577 /nfs/dbraw/zinc/10/35/77/188103577.db2.gz LQUOGVNESKSVEG-HQJQHLMTSA-N 0 1 213.227 2.014 10 0 BEAEMN Cc1cccc(NC(=O)c2ccc(CN)o2)c1 ZINC000011628079 188105222 /nfs/dbraw/zinc/10/52/22/188105222.db2.gz NAQLFSGZURMGFH-UHFFFAOYSA-N 0 1 230.267 2.299 10 0 BEAEMN C[C@H]1CO[C@@H](c2ccc(Cl)s2)CN1 ZINC000035286472 188111656 /nfs/dbraw/zinc/11/16/56/188111656.db2.gz PQHXSCSSYWJBPU-NKWVEPMBSA-N 0 1 217.721 2.451 10 0 BEAEMN CC(C)C[C@H]([NH3+])[C@H](O)c1ccc([O-])c(Cl)c1 ZINC000054929223 188126784 /nfs/dbraw/zinc/12/67/84/188126784.db2.gz SOBRQEGEWJNKPJ-CMPLNLGQSA-N 0 1 243.734 2.452 10 0 BEAEMN COc1ccc([C@@H](C(=O)[O-])[N@@H+](C)CC2CC2)cc1 ZINC000077427153 188136269 /nfs/dbraw/zinc/13/62/69/188136269.db2.gz SKYGQMKZXBJAOD-ZDUSSCGKSA-N 0 1 249.310 2.163 10 0 BEAEMN CC(C)(C)Oc1c(N)nccc1OC1CC1 ZINC000095721978 188146237 /nfs/dbraw/zinc/14/62/37/188146237.db2.gz CBRKZFYNKWTXQY-UHFFFAOYSA-N 0 1 222.288 2.382 10 0 BEAEMN O=C1COc2c1c(Br)ccc2F ZINC000126645221 353250801 /nfs/dbraw/zinc/25/08/01/353250801.db2.gz FEUSMZDLEATMEH-UHFFFAOYSA-N 0 1 231.020 2.163 10 0 BEAEMN Fc1cnccc1[C@H]1NCCc2ccccc21 ZINC000083694581 181021036 /nfs/dbraw/zinc/02/10/36/181021036.db2.gz VRHFPJZFCWNIIS-AWEZNQCLSA-N 0 1 228.270 2.456 10 0 BEAEMN Fc1nc2nc[nH]c2c(OCc2ccccc2)n1 ZINC000013602299 181021493 /nfs/dbraw/zinc/02/14/93/181021493.db2.gz LBDUBRVDQRTAPK-UHFFFAOYSA-N 0 1 244.229 2.071 10 0 BEAEMN COC1CC(N[C@@H](C)c2csc(C)n2)C1 ZINC000230675715 363319411 /nfs/dbraw/zinc/31/94/11/363319411.db2.gz HHDFEENXYQCECY-WFRXLMHJSA-N 0 1 226.345 2.280 10 0 BEAEMN CC1=NC(=S)N([C@@H]2CCOC[C@@H]2C)C1 ZINC000301028275 363340482 /nfs/dbraw/zinc/34/04/82/363340482.db2.gz QGRBIPVSMMYLAE-IONNQARKSA-N 0 1 212.318 2.078 10 0 BEAEMN C[C@H](c1nncn1C)[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000335085687 354619396 /nfs/dbraw/zinc/61/93/96/354619396.db2.gz LDCXXBKQAMRNOG-WDEREUQCSA-N 0 1 234.347 2.141 10 0 BEAEMN C[C@H](c1nncn1C)N1CC2(CCC2)C[C@@H]1C ZINC000335085687 354619398 /nfs/dbraw/zinc/61/93/98/354619398.db2.gz LDCXXBKQAMRNOG-WDEREUQCSA-N 0 1 234.347 2.141 10 0 BEAEMN NC(=O)C1(N[C@@H]2CCc3ccccc32)CC1 ZINC000335621007 181201804 /nfs/dbraw/zinc/20/18/04/181201804.db2.gz BLJOPBPPKUNIDZ-LLVKDONJSA-N 0 1 216.284 2.331 10 0 BEAEMN Nc1ccc2nc(SC3CC3)[nH]c2c1 ZINC000166578930 355697200 /nfs/dbraw/zinc/69/72/00/355697200.db2.gz PXVYBRQUXUANFY-UHFFFAOYSA-N 0 1 205.286 2.400 10 0 BEAEMN COc1csc([C@H](N)C2=CCCO2)c1 ZINC000168470314 355841070 /nfs/dbraw/zinc/84/10/70/355841070.db2.gz TVUINDAGQKOFJI-SNVBAGLBSA-N 0 1 211.286 2.061 10 0 BEAEMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)o1 ZINC000216490439 356064152 /nfs/dbraw/zinc/06/41/52/356064152.db2.gz FMSCYWCUYFHTCY-LLVKDONJSA-N 0 1 225.288 2.273 10 0 BEAEMN C[C@@](N)(C(=O)c1ccc(F)cc1)C1CC1 ZINC000168566969 356422463 /nfs/dbraw/zinc/42/24/63/356422463.db2.gz RXJLMPNFTTZTEV-LBPRGKRZSA-N 0 1 207.248 2.136 10 0 BEAEMN C[C@](N)(C(=O)c1cccc(F)c1)C1CC1 ZINC000168580038 356424194 /nfs/dbraw/zinc/42/41/94/356424194.db2.gz OZARXHNKNHFIIE-GFCCVEGCSA-N 0 1 207.248 2.136 10 0 BEAEMN CCCc1cn2c(n1)[C@@H](CSC)NCCC2 ZINC000675069751 538499517 /nfs/dbraw/zinc/49/95/17/538499517.db2.gz XVBZZGPHRVBZGU-LLVKDONJSA-N 0 1 239.388 2.233 10 0 BEAEMN C[C@H]1CC[C@@H](O)CN1Cc1cc(F)cc(F)c1 ZINC000399488544 356665115 /nfs/dbraw/zinc/66/51/15/356665115.db2.gz SGVIHMRFJCJNGA-TVQRCGJNSA-N 0 1 241.281 2.310 10 0 BEAEMN CC[C@@H](C)NCc1c(OC)nsc1OC ZINC000675075282 538508913 /nfs/dbraw/zinc/50/89/13/538508913.db2.gz KOBFMUUUKVLXNG-SSDOTTSWSA-N 0 1 230.333 2.048 10 0 BEAEMN COc1ccc(C(=O)c2ccc(O)cc2O)cc1 ZINC000001603195 357000338 /nfs/dbraw/zinc/00/03/38/357000338.db2.gz UYHXBHCQVUQRGY-UHFFFAOYSA-N 0 1 244.246 2.337 10 0 BEAEMN C[C@H](O)CCc1nc2ccc(F)cc2[nH]1 ZINC000026462107 357135746 /nfs/dbraw/zinc/13/57/46/357135746.db2.gz WTQPTKOSFPCKIH-ZETCQYMHSA-N 0 1 208.236 2.015 10 0 BEAEMN CCc1[nH+]ccn1-c1csc(C(=O)[O-])c1 ZINC000160679369 357168579 /nfs/dbraw/zinc/16/85/79/357168579.db2.gz WUDMCRMQUFHJQD-UHFFFAOYSA-N 0 1 222.269 2.194 10 0 BEAEMN Fc1ccc2c(c1)sc1nnc(S)n21 ZINC000026443817 357121165 /nfs/dbraw/zinc/12/11/65/357121165.db2.gz VAOMMTWFLKKYKP-UHFFFAOYSA-N 0 1 225.273 2.372 10 0 BEAEMN Cc1cc(CNc2ccc3c(n2)CCC3)ccn1 ZINC000391312422 357127866 /nfs/dbraw/zinc/12/78/66/357127866.db2.gz JTBUTQWAHLAMEU-UHFFFAOYSA-N 0 1 239.322 2.308 10 0 BEAEMN Cc1cnc([C@H](C)N[C@@H]2CCCOCC2)o1 ZINC000231529600 357609380 /nfs/dbraw/zinc/60/93/80/357609380.db2.gz GNMRSSVPNANCOB-WDEREUQCSA-N 0 1 224.304 2.203 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1C[C@H](O)C1CCCCC1 ZINC000190596562 357712083 /nfs/dbraw/zinc/71/20/83/357712083.db2.gz WLAAGZQFIARUNZ-BZPMIXESSA-N 0 1 241.375 2.037 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000233416451 357723095 /nfs/dbraw/zinc/72/30/95/357723095.db2.gz CAMPTHSADHRBGJ-JQWIXIFHSA-N 0 1 236.363 2.311 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@@H](C)CC[C@@H]1C ZINC000174469788 134281970 /nfs/dbraw/zinc/28/19/70/134281970.db2.gz XKDGKNCRQYLFIJ-QWRGUYRKSA-N 0 1 236.363 2.227 10 0 BEAEMN CCCn1cc(C[N@H+]2CCS[C@@H](C)C2)cn1 ZINC000131366672 358672692 /nfs/dbraw/zinc/67/26/92/358672692.db2.gz LTBXMBSCFQCZSC-NSHDSACASA-N 0 1 239.388 2.230 10 0 BEAEMN CCCn1cc(CN2CCS[C@@H](C)C2)cn1 ZINC000131366672 358672694 /nfs/dbraw/zinc/67/26/94/358672694.db2.gz LTBXMBSCFQCZSC-NSHDSACASA-N 0 1 239.388 2.230 10 0 BEAEMN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(F)cn1 ZINC000133920294 358772151 /nfs/dbraw/zinc/77/21/51/358772151.db2.gz PJQZNSVOLXNIHG-GHMZBOCLSA-N 0 1 248.305 2.157 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000134254102 358784606 /nfs/dbraw/zinc/78/46/06/358784606.db2.gz VFUDTDXCOJQDPB-FZMZJTMJSA-N 0 1 249.358 2.265 10 0 BEAEMN CCC(CC)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134286673 358785807 /nfs/dbraw/zinc/78/58/07/358785807.db2.gz JIHODSNPANNQPL-NSHDSACASA-N 0 1 249.358 2.382 10 0 BEAEMN CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177546959 134298922 /nfs/dbraw/zinc/29/89/22/134298922.db2.gz IZTZMHDRQWWYIK-BETUJISGSA-N 0 1 248.374 2.228 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177546959 134298923 /nfs/dbraw/zinc/29/89/23/134298923.db2.gz IZTZMHDRQWWYIK-BETUJISGSA-N 0 1 248.374 2.228 10 0 BEAEMN CCCC[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000057832684 358907127 /nfs/dbraw/zinc/90/71/27/358907127.db2.gz NWNGAZFFSMUKMG-UHFFFAOYSA-N 0 1 226.364 2.167 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000075374035 359144218 /nfs/dbraw/zinc/14/42/18/359144218.db2.gz ZTLPWZPJOOIIFZ-SKDRFNHKSA-N 0 1 243.310 2.481 10 0 BEAEMN C[C@@H]1C[C@@](O)(c2ccsc2Cl)CN1C ZINC000306322763 359606926 /nfs/dbraw/zinc/60/69/26/359606926.db2.gz URDFQSJZHFXOLW-XCBNKYQSSA-N 0 1 231.748 2.313 10 0 BEAEMN C[C@H]1CC2(CCC2)C[N@H+]1CCCC(=O)[O-] ZINC000380242446 366562940 /nfs/dbraw/zinc/56/29/40/366562940.db2.gz NLZDQVIIEFETCI-JTQLQIEISA-N 0 1 211.305 2.116 10 0 BEAEMN CSC1([C@@H]2NCC[C@@H](C)S2)CC1 ZINC000306449734 360018447 /nfs/dbraw/zinc/01/84/47/360018447.db2.gz NIWLOMCLCKRVLG-HTQZYQBOSA-N 0 1 203.376 2.323 10 0 BEAEMN Cc1cc(C)cc(CN2CC(O)(C3CC3)C2)c1 ZINC000089679215 360033462 /nfs/dbraw/zinc/03/34/62/360033462.db2.gz ZCXVIUZAVWFBQA-UHFFFAOYSA-N 0 1 231.339 2.260 10 0 BEAEMN O=C(Cc1csnn1)c1ccccc1F ZINC000306471885 360099530 /nfs/dbraw/zinc/09/95/30/360099530.db2.gz SGPMUADXWUJYHI-UHFFFAOYSA-N 0 1 222.244 2.103 10 0 BEAEMN COCC1(N2CC(C)=NC2=S)CCC1 ZINC000306468014 360080460 /nfs/dbraw/zinc/08/04/60/360080460.db2.gz MZEZYZOUXLWVDJ-UHFFFAOYSA-N 0 1 212.318 2.006 10 0 BEAEMN CCC[C@H](C(=O)Nc1ccc(C)nc1)N(C)C ZINC000092765580 360196531 /nfs/dbraw/zinc/19/65/31/360196531.db2.gz IXQHTEAKLWKYTA-GFCCVEGCSA-N 0 1 235.331 2.059 10 0 BEAEMN CNCc1nnc(-c2cc(C)cs2)s1 ZINC000306610577 360616008 /nfs/dbraw/zinc/61/60/08/360616008.db2.gz ASKCAWGIIGEWEA-UHFFFAOYSA-N 0 1 225.342 2.294 10 0 BEAEMN C[C@@H]1CN([C@@H]2CCCCC2=O)C[C@@H](C)S1 ZINC000069908930 361015176 /nfs/dbraw/zinc/01/51/76/361015176.db2.gz ADQRJWPNYLXASP-GMTAPVOTSA-N 0 1 227.373 2.324 10 0 BEAEMN CCc1nc(CN[C@@H](C)c2ccc(C)o2)n[nH]1 ZINC000162457612 361352548 /nfs/dbraw/zinc/35/25/48/361352548.db2.gz SPWJNQNXPKGTFI-VIFPVBQESA-N 0 1 234.303 2.119 10 0 BEAEMN NC1(c2nc(-c3ccco3)no2)CCCC1 ZINC000054445328 181335739 /nfs/dbraw/zinc/33/57/39/181335739.db2.gz QVDGQXNDYQWTNW-UHFFFAOYSA-N 0 1 219.244 2.058 10 0 BEAEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252662460 364749565 /nfs/dbraw/zinc/74/95/65/364749565.db2.gz ZIGMPHJZDMKLLL-RYUDHWBXSA-N 0 1 238.375 2.118 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@H](C)[C@@H]1C ZINC000172859933 365384560 /nfs/dbraw/zinc/38/45/60/365384560.db2.gz LOPFPMXYHWTZJZ-QWRGUYRKSA-N 0 1 236.363 2.227 10 0 BEAEMN CCc1cn2c(n1)NCC[C@H]2c1nccs1 ZINC000234202698 541512060 /nfs/dbraw/zinc/51/20/60/541512060.db2.gz PSWLNDDXXHTQDN-VIFPVBQESA-N 0 1 234.328 2.307 10 0 BEAEMN CCc1cn2c(n1)NCC[C@@H]2c1nccs1 ZINC000234200446 541512307 /nfs/dbraw/zinc/51/23/07/541512307.db2.gz PSWLNDDXXHTQDN-SECBINFHSA-N 0 1 234.328 2.307 10 0 BEAEMN CC[N@H+](CC(=O)[O-])C[C@H]1CCCCC1(F)F ZINC000381560159 367431436 /nfs/dbraw/zinc/43/14/36/367431436.db2.gz WGYZYMAFADGRHZ-SECBINFHSA-N 0 1 235.274 2.218 10 0 BEAEMN C[N@@H+](Cc1ccccn1)C1(C(=O)[O-])CCCCC1 ZINC000041878165 368294799 /nfs/dbraw/zinc/29/47/99/368294799.db2.gz FQUKFYCEDQCEFI-UHFFFAOYSA-N 0 1 248.326 2.301 10 0 BEAEMN CC(C)N1c2ccccc2NC[C@@H]1c1nnc[nH]1 ZINC000616584841 369096979 /nfs/dbraw/zinc/09/69/79/369096979.db2.gz JOYKKPLSCWGMLU-GFCCVEGCSA-N 0 1 243.314 2.186 10 0 BEAEMN C[C@H](N)C(=O)c1ccccc1C1CCC1 ZINC000107193034 369334816 /nfs/dbraw/zinc/33/48/16/369334816.db2.gz RHWPLAXVXCAYEA-VIFPVBQESA-N 0 1 203.285 2.484 10 0 BEAEMN CC[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C(C)C ZINC000619652719 369508124 /nfs/dbraw/zinc/50/81/24/369508124.db2.gz NYFKHDBXFHTMGE-LLVKDONJSA-N 0 1 249.358 2.453 10 0 BEAEMN Clc1nnc2cc(Br)[nH]cc1-2 ZINC000514253597 369712069 /nfs/dbraw/zinc/71/20/69/369712069.db2.gz QAXWOIQGCFPMSN-UHFFFAOYSA-N 0 1 232.468 2.374 10 0 BEAEMN NCc1nc2cc(F)c(F)cc2s1 ZINC000031894640 181501699 /nfs/dbraw/zinc/50/16/99/181501699.db2.gz LPMSHOMZMXVDDC-UHFFFAOYSA-N 0 1 200.213 2.033 10 0 BEAEMN Cc1cc(Br)cc2[nH]c(C=O)nc21 ZINC000126587759 371538583 /nfs/dbraw/zinc/53/85/83/371538583.db2.gz KZAJHMAYMKWVNW-UHFFFAOYSA-N 0 1 239.072 2.446 10 0 BEAEMN Cc1cc(-c2nnc([C@@H](C)N)s2)co1 ZINC000161856043 371572801 /nfs/dbraw/zinc/57/28/01/371572801.db2.gz QIKYXEFDZSSVMA-ZCFIWIBFSA-N 0 1 209.274 2.126 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000225734083 371572933 /nfs/dbraw/zinc/57/29/33/371572933.db2.gz IJFGSRTVWXCKBM-OUAUKWLOSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@@H]1CC[N@H+]1[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000226286589 371638448 /nfs/dbraw/zinc/63/84/48/371638448.db2.gz QVJKTRYKRBOBMM-FOGDFJRCSA-N 0 1 211.305 2.114 10 0 BEAEMN CC[C@@](C)(N)C(=O)c1ccc(F)c(C)c1 ZINC000226664355 371719111 /nfs/dbraw/zinc/71/91/11/371719111.db2.gz YRCJVDRQHLNLRS-GFCCVEGCSA-N 0 1 209.264 2.444 10 0 BEAEMN CC[C@@](C)(N)C(=O)c1cccc(F)c1F ZINC000226661635 371720204 /nfs/dbraw/zinc/72/02/04/371720204.db2.gz WNNWUXNVUCFHMJ-LLVKDONJSA-N 0 1 213.227 2.275 10 0 BEAEMN CCCNc1c(N)cncc1Br ZINC000218063925 372054270 /nfs/dbraw/zinc/05/42/70/372054270.db2.gz MQVOUALRXNSRKQ-UHFFFAOYSA-N 0 1 230.109 2.248 10 0 BEAEMN COC(=O)C=C(O)C1CC(CC(C)C)C1 ZINC000606303912 372093084 /nfs/dbraw/zinc/09/30/84/372093084.db2.gz YKHCQZKXIGUONG-UHFFFAOYSA-N 0 1 212.289 2.191 10 0 BEAEMN Cc1csc([C@H](C)NC2=NCCS2)n1 ZINC000070734444 374184637 /nfs/dbraw/zinc/18/46/37/374184637.db2.gz KFEZFEJTSFHFER-ZETCQYMHSA-N 0 1 227.358 2.205 10 0 BEAEMN O=C([O-])[C@H]1CC[N@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000005190478 182538351 /nfs/dbraw/zinc/53/83/51/182538351.db2.gz VPBLOJFGPORKQA-KIPDHUPVSA-N 0 1 235.327 2.114 10 0 in-man BEAEMN Cc1cnc([C@H](C)NC[C@@H]2CCCOC2)o1 ZINC000220915725 134314759 /nfs/dbraw/zinc/31/47/59/134314759.db2.gz OMEHSFOKJTXAEW-QWRGUYRKSA-N 0 1 224.304 2.060 10 0 BEAEMN CCCC[S@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000042196027 169017205 /nfs/dbraw/zinc/01/72/05/169017205.db2.gz YCBFDMPYKXAXNT-MRXNPFEDSA-N 0 1 237.328 2.053 10 0 BEAEMN CCCCn1cnc(C2CCOCC2)c1N ZINC000105201673 169037108 /nfs/dbraw/zinc/03/71/08/169037108.db2.gz PTLUKAFEARSMAY-UHFFFAOYSA-N 0 1 223.320 2.159 10 0 BEAEMN CCCN(C)Cc1nc2sccc2c(N)n1 ZINC000050813178 169082024 /nfs/dbraw/zinc/08/20/24/169082024.db2.gz KOECKQWEONGMIP-UHFFFAOYSA-N 0 1 236.344 2.115 10 0 BEAEMN Oc1cccc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000096879773 183288388 /nfs/dbraw/zinc/28/83/88/183288388.db2.gz FSJSYJHJENQRKL-LLVKDONJSA-N 0 1 245.282 2.257 10 0 BEAEMN CCCN1CCO[C@H]2c3cc(O)ccc3CC[C@H]21 ZINC000029392107 169205896 /nfs/dbraw/zinc/20/58/96/169205896.db2.gz JCSREICEMHWFAY-CABCVRRESA-N 0 1 247.338 2.490 10 0 in-vitro BEAEMN CCCN[C@@H]1c2ccc(SC)cc2NC1=O ZINC000038063777 169290762 /nfs/dbraw/zinc/29/07/62/169290762.db2.gz BZSAHRKXXAWGAQ-LLVKDONJSA-N 0 1 236.340 2.401 10 0 BEAEMN CCCN[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000109495243 169277468 /nfs/dbraw/zinc/27/74/68/169277468.db2.gz BPXIJLDIMUBSOA-VIFPVBQESA-N 0 1 232.287 2.192 10 0 BEAEMN CCCO[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000042423199 169310560 /nfs/dbraw/zinc/31/05/60/169310560.db2.gz WWPDVDZRJISBCE-GFCCVEGCSA-N 0 1 243.347 2.132 10 0 BEAEMN O=C(CC1CCC1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181368582 134335623 /nfs/dbraw/zinc/33/56/23/134335623.db2.gz BVRADAHDHGVNPI-NSHDSACASA-N 0 1 248.330 2.049 10 0 BEAEMN CCC[C@@](C)(N)c1noc(C(F)(F)F)n1 ZINC000036765033 169453539 /nfs/dbraw/zinc/45/35/39/169453539.db2.gz QDQIIMATPNZODI-SSDOTTSWSA-N 0 1 223.198 2.062 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1ccoc1C(=O)OC ZINC000224877572 134348511 /nfs/dbraw/zinc/34/85/11/134348511.db2.gz NCQLENVFLLFVAP-ONGXEEELSA-N 0 1 237.299 2.344 10 0 BEAEMN C[C@@H]1C[C@@H]1NCc1ncc(Cl)s1 ZINC000225338172 134354729 /nfs/dbraw/zinc/35/47/29/134354729.db2.gz RSOCTRXOCVAOKO-RITPCOANSA-N 0 1 202.710 2.295 10 0 BEAEMN Cn1cc(CN[C@@H]2CCc3c2cccc3F)cn1 ZINC000111356496 383858680 /nfs/dbraw/zinc/85/86/80/383858680.db2.gz GCMUSLGVBLXQDZ-CQSZACIVSA-N 0 1 245.301 2.336 10 0 BEAEMN C[C@@H](NCc1ncccc1Cl)[C@H]1CCCO1 ZINC000528441767 383889957 /nfs/dbraw/zinc/88/99/57/383889957.db2.gz APGDGYAGNMFERC-BXKDBHETSA-N 0 1 240.734 2.392 10 0 BEAEMN Cn1ccc(CN[C@H]2COc3ccccc32)c1 ZINC000091008880 384094167 /nfs/dbraw/zinc/09/41/67/384094167.db2.gz BVAQAWCQVYKIIU-ZDUSSCGKSA-N 0 1 228.295 2.248 10 0 BEAEMN NCc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000050224162 384163806 /nfs/dbraw/zinc/16/38/06/384163806.db2.gz GEGNDAWQYZAVAT-UHFFFAOYSA-N 0 1 243.097 2.033 10 0 BEAEMN COCc1ccc(CN2[C@H](C)COC[C@H]2C)cc1 ZINC000093606933 384251872 /nfs/dbraw/zinc/25/18/72/384251872.db2.gz ZQWUKMQESBZDNS-CHWSQXEVSA-N 0 1 249.354 2.442 10 0 BEAEMN Cc1nccc(NC[C@@H]2CCC[C@@H]2O)c1Cl ZINC000335557942 384322983 /nfs/dbraw/zinc/32/29/83/384322983.db2.gz YZJRXFCIMZELKG-ONGXEEELSA-N 0 1 240.734 2.038 10 0 BEAEMN COC(=O)[C@@H]1C[C@H](c2ccccc2)CCC1=O ZINC000093954912 384283371 /nfs/dbraw/zinc/28/33/71/384283371.db2.gz QISHTJPQSJDTSQ-VXGBXAGGSA-N 0 1 232.279 2.312 10 0 BEAEMN CCC[C@H](C(=O)Nc1cccc(C)n1)N(C)C ZINC000159103230 384302702 /nfs/dbraw/zinc/30/27/02/384302702.db2.gz KOVYAJZTMXPVDV-LLVKDONJSA-N 0 1 235.331 2.059 10 0 BEAEMN O=C([C@@H]1CC=CCC1)N1CCCN(C2CC2)CC1 ZINC000149107244 384477515 /nfs/dbraw/zinc/47/75/15/384477515.db2.gz IQTPDJSDNFKSDP-CYBMUJFWSA-N 0 1 248.370 2.039 10 0 BEAEMN CN[C@@]1(c2nccs2)CCCSC1 ZINC000061590710 384519913 /nfs/dbraw/zinc/51/99/13/384519913.db2.gz YJPBZIVLOHXVNU-VIFPVBQESA-N 0 1 214.359 2.085 10 0 BEAEMN NC1(C(=O)c2cccc(Br)c2)CC1 ZINC000258398050 384577086 /nfs/dbraw/zinc/57/70/86/384577086.db2.gz ZMJCFGSKBQOUFF-UHFFFAOYSA-N 0 1 240.100 2.123 10 0 BEAEMN FC1(F)CCCC[C@H]1CN1CCOCC1 ZINC000336144878 384631539 /nfs/dbraw/zinc/63/15/39/384631539.db2.gz XKKJAURRTLYPOO-JTQLQIEISA-N 0 1 219.275 2.144 10 0 BEAEMN C[NH2+][C@@H](C)c1ccc([O-])c(Br)c1 ZINC000061699359 384670470 /nfs/dbraw/zinc/67/04/70/384670470.db2.gz UKUJPKNPPSVNSG-LURJTMIESA-N 0 1 230.105 2.435 10 0 BEAEMN Cc1ccnc(NC[C@H]2CCCC[C@H]2O)c1 ZINC000082997331 384737422 /nfs/dbraw/zinc/73/74/22/384737422.db2.gz LJCHGQJSLZRCNB-VXGBXAGGSA-N 0 1 220.316 2.353 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000365058101 384912679 /nfs/dbraw/zinc/91/26/79/384912679.db2.gz GTRMBWMZIPKNER-DTWKUNHWSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1nccs1 ZINC000365058101 384912680 /nfs/dbraw/zinc/91/26/80/384912680.db2.gz GTRMBWMZIPKNER-DTWKUNHWSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccoc2)C1 ZINC000087289965 384941063 /nfs/dbraw/zinc/94/10/63/384941063.db2.gz BDRFIKHOALFYLS-WCQYABFASA-N 0 1 222.332 2.415 10 0 BEAEMN FC(F)n1ccnc1CN[C@H]1CCCSC1 ZINC000129232194 385124237 /nfs/dbraw/zinc/12/42/37/385124237.db2.gz YSKGVWYRVQRARS-QMMMGPOBSA-N 0 1 247.314 2.263 10 0 BEAEMN Cc1cnc([C@H](C)NCCC2CCOCC2)o1 ZINC000310588826 385128067 /nfs/dbraw/zinc/12/80/67/385128067.db2.gz XRZSIWYALBKAKK-NSHDSACASA-N 0 1 238.331 2.450 10 0 BEAEMN C[C@H](O)CN1C[C@H](c2ccccc2)OCC1(C)C ZINC000192977626 385377912 /nfs/dbraw/zinc/37/79/12/385377912.db2.gz OKIKAASARHUOTK-GXTWGEPZSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@H](N[C@@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966288 385454461 /nfs/dbraw/zinc/45/44/61/385454461.db2.gz PIVLPBVKEYVKQP-GXFFZTMASA-N 0 1 242.326 2.282 10 0 BEAEMN COC(=O)c1cccnc1CN1C[C@H](C)C[C@H]1C ZINC000302310959 385510057 /nfs/dbraw/zinc/51/00/57/385510057.db2.gz IKRLOGMYBQLKLU-GHMZBOCLSA-N 0 1 248.326 2.099 10 0 BEAEMN COC(=O)c1cccnc1CN1C[C@@H](C)C[C@@H]1C ZINC000302310961 385510598 /nfs/dbraw/zinc/51/05/98/385510598.db2.gz IKRLOGMYBQLKLU-QWRGUYRKSA-N 0 1 248.326 2.099 10 0 BEAEMN Cc1cc(C)c([C@@H]2COCCN2)c(C)c1 ZINC000041213930 385614802 /nfs/dbraw/zinc/61/48/02/385614802.db2.gz LZPUGEHSXDAQHR-LBPRGKRZSA-N 0 1 205.301 2.273 10 0 BEAEMN CC[C@@H](C)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197701 385608673 /nfs/dbraw/zinc/60/86/73/385608673.db2.gz JLZYPWPULJMKOW-NXEZZACHSA-N 0 1 238.335 2.083 10 0 BEAEMN Cc1ccc([C@H](C)NCc2cnc[nH]2)o1 ZINC000054764368 385656170 /nfs/dbraw/zinc/65/61/70/385656170.db2.gz BGZHEKDNHRRAEO-VIFPVBQESA-N 0 1 205.261 2.162 10 0 BEAEMN COC(=O)c1cc(O)c(Br)c(F)c1 ZINC000260144350 385704425 /nfs/dbraw/zinc/70/44/25/385704425.db2.gz PQFSRDNEEDPCEX-UHFFFAOYSA-N 0 1 249.035 2.080 10 0 BEAEMN Cc1cnn(CCNc2cc(C)ccn2)c1 ZINC000230147281 385711822 /nfs/dbraw/zinc/71/18/22/385711822.db2.gz DKRZQLUWKOZOGO-UHFFFAOYSA-N 0 1 216.288 2.007 10 0 BEAEMN Cc1cn[nH]c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000284024647 385847806 /nfs/dbraw/zinc/84/78/06/385847806.db2.gz LXXAWSOEBRHFMR-LBPRGKRZSA-N 0 1 243.310 2.332 10 0 BEAEMN CC(C)[N@@H+]1CCO[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616644246 386150390 /nfs/dbraw/zinc/15/03/90/386150390.db2.gz AECBRYAFMQCNCT-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN CC(C)[N@H+]1CCO[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616644246 386150394 /nfs/dbraw/zinc/15/03/94/386150394.db2.gz AECBRYAFMQCNCT-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN Cc1ccc([C@H](C)N[C@@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC000336742543 386200218 /nfs/dbraw/zinc/20/02/18/386200218.db2.gz OIXYXLXDKOOEFH-ADEWGFFLSA-N 0 1 222.332 2.189 10 0 BEAEMN COC(=O)Cc1ccc(Cl)c(Cl)c1O ZINC000306895260 386530007 /nfs/dbraw/zinc/53/00/07/386530007.db2.gz METPIOXYLFXSIW-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN c1ccc2oc(N3CCN(C4CC4)CC3)nc2c1 ZINC000049390406 386610252 /nfs/dbraw/zinc/61/02/52/386610252.db2.gz BBCGXOLVCIYGPN-UHFFFAOYSA-N 0 1 243.310 2.112 10 0 BEAEMN C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000293248677 386788743 /nfs/dbraw/zinc/78/87/43/386788743.db2.gz LWGOHSVCUCHDMM-WPRPVWTQSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1cccc(O)c1Cl ZINC000293248677 386788748 /nfs/dbraw/zinc/78/87/48/386788748.db2.gz LWGOHSVCUCHDMM-WPRPVWTQSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@@](N)(c1cnsc1)c1cccs1 ZINC000575454244 386833635 /nfs/dbraw/zinc/83/36/35/386833635.db2.gz RXYYBIQTWZIURC-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN CCOc1cc(O)cc(OC(F)F)c1C=O ZINC000575655281 387038960 /nfs/dbraw/zinc/03/89/60/387038960.db2.gz BQWCCSKXEKOEGC-UHFFFAOYSA-N 0 1 232.182 2.205 10 0 BEAEMN C[C@@](N)(c1cccs1)c1cncs1 ZINC000575578126 387044288 /nfs/dbraw/zinc/04/42/88/387044288.db2.gz SEBKLIBFPIWVHE-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN C[C@H]1C[C@@]1(C)c1o[nH]c(=N)c1Br ZINC000575583586 387058317 /nfs/dbraw/zinc/05/83/17/387058317.db2.gz OHSYOMVIURQSKR-RNHFCUEFSA-N 0 1 231.093 2.147 10 0 BEAEMN OCc1[nH]nc2cc(Cl)c(Cl)cc21 ZINC000575436259 387100989 /nfs/dbraw/zinc/10/09/89/387100989.db2.gz BLHYFTTUGZZFCA-UHFFFAOYSA-N 0 1 217.055 2.362 10 0 BEAEMN CC(C)(C)OCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000068334084 387104827 /nfs/dbraw/zinc/10/48/27/387104827.db2.gz ZELAOBODSVZMGS-STQMWFEESA-N 0 1 241.375 2.445 10 0 BEAEMN Brc1scnc1[C@H]1CCCN1 ZINC000575470240 387110372 /nfs/dbraw/zinc/11/03/72/387110372.db2.gz GJYQTXXYPDNAKH-RXMQYKEDSA-N 0 1 233.134 2.330 10 0 BEAEMN O=C(c1ccc(F)cc1O)N1C[C@@H]2CCC[C@@H]21 ZINC000336319567 387146101 /nfs/dbraw/zinc/14/61/01/387146101.db2.gz CEFFYOJMXGWULK-KWQFWETISA-N 0 1 235.258 2.156 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000300421306 387210198 /nfs/dbraw/zinc/21/01/98/387210198.db2.gz CAMPTHSADHRBGJ-PWSUYJOCSA-N 0 1 236.363 2.311 10 0 BEAEMN C[C@@H]1C[C@H]1c1ccc(CNC2(CO)CC2)o1 ZINC000120374463 387233412 /nfs/dbraw/zinc/23/34/12/387233412.db2.gz QVVSAZXXUIDOPH-MWLCHTKSSA-N 0 1 221.300 2.018 10 0 BEAEMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230170432 387237995 /nfs/dbraw/zinc/23/79/95/387237995.db2.gz GUTFTYTUJVUQJP-GXFFZTMASA-N 0 1 249.358 2.203 10 0 BEAEMN CC(C)(O)CCN1CCC[C@@H]1c1nccs1 ZINC000371874546 387254241 /nfs/dbraw/zinc/25/42/41/387254241.db2.gz NKKJJKCMZJEABM-SNVBAGLBSA-N 0 1 240.372 2.441 10 0 BEAEMN Brc1csc(C2=NCCCN2)c1 ZINC000306556761 387343447 /nfs/dbraw/zinc/34/34/47/387343447.db2.gz GTVHWYQBWLTZOH-UHFFFAOYSA-N 0 1 245.145 2.251 10 0 BEAEMN N=c1[nH]oc([C@H]2C[C@H]3C[C@H]3C2)c1Br ZINC000575500508 387352564 /nfs/dbraw/zinc/35/25/64/387352564.db2.gz FXWGQLMBDWAVNB-FMCRUOTFSA-N 0 1 243.104 2.363 10 0 BEAEMN C[C@H]1CC[C@@](F)(c2cncs2)CN1 ZINC000575518752 387439739 /nfs/dbraw/zinc/43/97/39/387439739.db2.gz SXEZCIJZKQGMQM-CBAPKCEASA-N 0 1 200.282 2.080 10 0 BEAEMN Cc1nnc(CN2[C@@H](C)CC[C@@H]2C)n1C1CC1 ZINC000122924954 387616388 /nfs/dbraw/zinc/61/63/88/387616388.db2.gz MGNSBSJGEAJYQM-UWVGGRQHSA-N 0 1 234.347 2.294 10 0 BEAEMN CC1=NC(=S)N(C2CC(F)(F)C2)C1 ZINC000575535967 387577355 /nfs/dbraw/zinc/57/73/55/387577355.db2.gz ALRDJOVLMOIUFP-UHFFFAOYSA-N 0 1 204.245 2.450 10 0 BEAEMN Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000129172106 387763105 /nfs/dbraw/zinc/76/31/05/387763105.db2.gz PBRGHMXZALMTQA-LBPRGKRZSA-N 0 1 237.318 2.338 10 0 BEAEMN Cc1ccc(F)cc1C[N@H+]1CC[C@H](CCO)C1 ZINC000129171894 387763594 /nfs/dbraw/zinc/76/35/94/387763594.db2.gz PBRGHMXZALMTQA-GFCCVEGCSA-N 0 1 237.318 2.338 10 0 BEAEMN Cc1csc(CN2CCCC[C@H](CO)C2)n1 ZINC000378125161 387765033 /nfs/dbraw/zinc/76/50/33/387765033.db2.gz GQJGPRXNKYZWLE-NSHDSACASA-N 0 1 240.372 2.046 10 0 BEAEMN CCC(CC)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195061317 387902438 /nfs/dbraw/zinc/90/24/38/387902438.db2.gz DIGFMJBJRYDFTO-CYBMUJFWSA-N 0 1 238.375 2.119 10 0 BEAEMN CCn1ccnc1CSc1nc(C2CC2)n[nH]1 ZINC000195517332 387921647 /nfs/dbraw/zinc/92/16/47/387921647.db2.gz VHXYLAAPFDNHTK-UHFFFAOYSA-N 0 1 249.343 2.191 10 0 BEAEMN CCn1ccnc1CSc1n[nH]c(C2CC2)n1 ZINC000195517332 387921649 /nfs/dbraw/zinc/92/16/49/387921649.db2.gz VHXYLAAPFDNHTK-UHFFFAOYSA-N 0 1 249.343 2.191 10 0 BEAEMN Cn1nccc1C1CCN(C/C=C/Cl)CC1 ZINC000195513296 387922860 /nfs/dbraw/zinc/92/28/60/387922860.db2.gz FLFNERICAMHCMS-QHHAFSJGSA-N 0 1 239.750 2.352 10 0 BEAEMN Fc1ccc(F)c([C@@H]2CSCCN2)c1 ZINC000070588016 387989792 /nfs/dbraw/zinc/98/97/92/387989792.db2.gz CXWDDMLJROGGQK-JTQLQIEISA-N 0 1 215.268 2.342 10 0 BEAEMN CN[C@@]1(c2nc(C)cs2)CCSC1 ZINC000041060473 388018813 /nfs/dbraw/zinc/01/88/13/388018813.db2.gz QXBIRKCRYPGXLN-VIFPVBQESA-N 0 1 214.359 2.003 10 0 BEAEMN c1n[nH]cc1CNCc1cc2ccccc2o1 ZINC000038006025 388101213 /nfs/dbraw/zinc/10/12/13/388101213.db2.gz UXEBYWNKGQQTBI-UHFFFAOYSA-N 0 1 227.267 2.446 10 0 BEAEMN CCN(Cc1nnc(C)n1CC)[C@H](C)C(C)C ZINC000195432709 388164231 /nfs/dbraw/zinc/16/42/31/388164231.db2.gz WMXTVXQUEJPGPP-LLVKDONJSA-N 0 1 238.379 2.473 10 0 BEAEMN C[C@H]1CC[C@](F)(c2cncs2)CN1 ZINC000575518753 388355923 /nfs/dbraw/zinc/35/59/23/388355923.db2.gz SXEZCIJZKQGMQM-IONNQARKSA-N 0 1 200.282 2.080 10 0 BEAEMN Cc1cc(CC(=O)N[C@@H](C)c2cccs2)[nH]n1 ZINC000176171671 388450818 /nfs/dbraw/zinc/45/08/18/388450818.db2.gz VSIVVIFBDVFTHG-VIFPVBQESA-N 0 1 249.339 2.200 10 0 BEAEMN C[C@H]1[C@H](O)CCCN1Cc1ccc(F)c(F)c1 ZINC000295131223 388409270 /nfs/dbraw/zinc/40/92/70/388409270.db2.gz YKWRNRBOJOEDFO-TVQRCGJNSA-N 0 1 241.281 2.310 10 0 BEAEMN COC(=O)[C@@]1(C)CCCN1[C@H]1C=CCCC1 ZINC000186325754 388598683 /nfs/dbraw/zinc/59/86/83/388598683.db2.gz VLBMYUZKGITICV-WCQYABFASA-N 0 1 223.316 2.123 10 0 BEAEMN CCc1nnc(CN2CCC[C@H]3CCC[C@H]32)n1C ZINC000247536758 388666548 /nfs/dbraw/zinc/66/65/48/388666548.db2.gz OSXGTXUDHQCHRN-VXGBXAGGSA-N 0 1 248.374 2.142 10 0 BEAEMN Cc1ccc(N)c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000036250642 132341414 /nfs/dbraw/zinc/34/14/14/132341414.db2.gz ZLCNRMXDXUDTCA-NXEZZACHSA-N 0 1 219.332 2.455 10 0 BEAEMN Cc1cc(C=O)ccc1N1CCN(C(C)C)CC1 ZINC000002458177 132314883 /nfs/dbraw/zinc/31/48/83/132314883.db2.gz NWXNTRPAAIOJLB-UHFFFAOYSA-N 0 1 246.354 2.338 10 0 BEAEMN C[C@@H]1CN(C2CC(OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000335987588 134039038 /nfs/dbraw/zinc/03/90/38/134039038.db2.gz APJGHTXPCDKSLZ-OKZRHMCRSA-N 0 1 241.375 2.442 10 0 BEAEMN C[C@H]1CN(C2CC(OC(C)(C)C)C2)C[C@H](C)O1 ZINC000335987589 134039051 /nfs/dbraw/zinc/03/90/51/134039051.db2.gz APJGHTXPCDKSLZ-ZSVAQUKISA-N 0 1 241.375 2.442 10 0 BEAEMN CC(C)CC(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000335990067 134039659 /nfs/dbraw/zinc/03/96/59/134039659.db2.gz FTUCMFIANYBWCW-QWHCGFSZSA-N 0 1 238.375 2.118 10 0 BEAEMN CCn1c(C)nnc1CN1CCC2(CCCC2)C1 ZINC000174267651 134280082 /nfs/dbraw/zinc/28/00/82/134280082.db2.gz RVCQYFWHCJMPLP-UHFFFAOYSA-N 0 1 248.374 2.373 10 0 BEAEMN CC[C@H]1[C@@H](C)CCN1Cc1nnc(C)n1CC ZINC000185596256 134382511 /nfs/dbraw/zinc/38/25/11/134382511.db2.gz ADJGEMJDIICIKG-JQWIXIFHSA-N 0 1 236.363 2.227 10 0 BEAEMN Cc1nc([C@H](C)N[C@H]2CCO[C@H]2C)cs1 ZINC000252687852 135096758 /nfs/dbraw/zinc/09/67/58/135096758.db2.gz MMFUUHVDEIOXLC-NRPADANISA-N 0 1 226.345 2.280 10 0 BEAEMN CC[C@@H](NC1COC1)c1ccc(C)cc1 ZINC000087194689 135111054 /nfs/dbraw/zinc/11/10/54/135111054.db2.gz TWCAYWPKQXVEKZ-CYBMUJFWSA-N 0 1 205.301 2.435 10 0 BEAEMN c1sc2ccccc2c1CNC1COC1 ZINC000087194503 135111573 /nfs/dbraw/zinc/11/15/73/135111573.db2.gz CGOWJADIZBOXEQ-UHFFFAOYSA-N 0 1 219.309 2.390 10 0 BEAEMN Cc1ccc2c(c1)[C@@H]([N@@H+](C)CC(=O)[O-])[C@H](C)C2 ZINC000263447642 135355169 /nfs/dbraw/zinc/35/51/69/135355169.db2.gz YHKRCDSLRSQZIQ-YGRLFVJLSA-N 0 1 233.311 2.245 10 0 BEAEMN Cc1nccc(N[C@H](C)[C@@H](C)O)c1Cl ZINC000307142298 135383828 /nfs/dbraw/zinc/38/38/28/135383828.db2.gz KFPHZGVSVRXMRS-HTRCEHHLSA-N 0 1 214.696 2.225 10 0 BEAEMN C[C@H]1CCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000334855438 135824865 /nfs/dbraw/zinc/82/48/65/135824865.db2.gz XLFAUAQMAJKAEH-IUCAKERBSA-N 0 1 221.304 2.311 10 0 BEAEMN C[C@@H]1C[C@@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000052293368 397741987 /nfs/dbraw/zinc/74/19/87/397741987.db2.gz RIXJJWBAZDFADU-MUWHJKNJSA-N 0 1 225.675 2.184 10 0 BEAEMN CC[C@](C)(O)CN1CCC[C@H]1c1nccs1 ZINC000372502411 398004668 /nfs/dbraw/zinc/00/46/68/398004668.db2.gz GHIIPXRIYFNDAK-JQWIXIFHSA-N 0 1 240.372 2.441 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)C1CCC(C)CC1 ZINC000042487888 171236802 /nfs/dbraw/zinc/23/68/02/171236802.db2.gz ITYSXEWYDOVTNG-VQXHTEKXSA-N 0 1 213.321 2.360 10 0 BEAEMN Nc1cc(Oc2ccc(N)c(F)c2)ccn1 ZINC000023587095 398116853 /nfs/dbraw/zinc/11/68/53/398116853.db2.gz HMADOSJIROHTPS-UHFFFAOYSA-N 0 1 219.219 2.177 10 0 BEAEMN CC(C)CNc1nc2c(s1)CN(C)CC2 ZINC000061714672 167019509 /nfs/dbraw/zinc/01/95/09/167019509.db2.gz HNRFBSJNLOSQIX-UHFFFAOYSA-N 0 1 225.361 2.199 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829233 487560211 /nfs/dbraw/zinc/56/02/11/487560211.db2.gz FSBMBORUYFEDLA-JQWIXIFHSA-N 0 1 213.321 2.218 10 0 BEAEMN Brc1csc([C@@H]2CNCCO2)c1 ZINC000071562664 166105517 /nfs/dbraw/zinc/10/55/17/166105517.db2.gz SHDVYRHLIPBJQY-ZETCQYMHSA-N 0 1 248.145 2.172 10 0 BEAEMN CC(C)CNc1nc2c(s1)C[N@@H+](C)CC2 ZINC000061714672 167019507 /nfs/dbraw/zinc/01/95/07/167019507.db2.gz HNRFBSJNLOSQIX-UHFFFAOYSA-N 0 1 225.361 2.199 10 0 BEAEMN CC(C)[N@H+]1CCc2sc(C(=O)[O-])cc2C1 ZINC000020432644 167026709 /nfs/dbraw/zinc/02/67/09/167026709.db2.gz DLGKZWIEXKMUES-UHFFFAOYSA-N 0 1 225.313 2.213 10 0 BEAEMN CC(C)NCc1c(Cl)ncnc1Cl ZINC000083350246 167117581 /nfs/dbraw/zinc/11/75/81/167117581.db2.gz PHHNLGCIDKQZGZ-UHFFFAOYSA-N 0 1 220.103 2.281 10 0 BEAEMN CC(C)NCc1csc([C@@H]2CCCO2)n1 ZINC000062214639 167122059 /nfs/dbraw/zinc/12/20/59/167122059.db2.gz JIDKTUWMGVLTIY-JTQLQIEISA-N 0 1 226.345 2.493 10 0 BEAEMN CC(C)[C@@H](N)C(=O)c1ccc(F)c(F)c1 ZINC000036158956 167419396 /nfs/dbraw/zinc/41/93/96/167419396.db2.gz MMBSNSISPQWFRD-SNVBAGLBSA-N 0 1 213.227 2.131 10 0 BEAEMN c1cc2c(o1)CCC[C@@H]2NCc1cn[nH]c1 ZINC000111356906 411166650 /nfs/dbraw/zinc/16/66/50/411166650.db2.gz OBSSYJGLVAGZBM-NSHDSACASA-N 0 1 217.272 2.170 10 0 BEAEMN CCC[C@@H](C)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000051322677 411272150 /nfs/dbraw/zinc/27/21/50/411272150.db2.gz YEEBPMRNHBQXPO-ZJUUUORDSA-N 0 1 201.310 2.218 10 0 BEAEMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000304198251 411352603 /nfs/dbraw/zinc/35/26/03/411352603.db2.gz YEADVOHGELMJBC-VHSXEESVSA-N 0 1 234.299 2.010 10 0 BEAEMN CC[C@H](C)C[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304186020 411353096 /nfs/dbraw/zinc/35/30/96/411353096.db2.gz RYYHJVPLIAOKFI-JTQLQIEISA-N 0 1 236.315 2.258 10 0 BEAEMN C[C@@H](C[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000042487885 168159820 /nfs/dbraw/zinc/15/98/20/168159820.db2.gz OYKJLDZIYBJWGI-YVNMAJEFSA-N 0 1 213.321 2.218 10 0 BEAEMN CN1CCCOC[C@H]1c1cc2ccccc2nn1 ZINC000616648284 411410869 /nfs/dbraw/zinc/41/08/69/411410869.db2.gz DJYRAVILJHCROE-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN CCNCC(=O)c1cc(CC)ccc1OC ZINC000071523200 170110181 /nfs/dbraw/zinc/11/01/81/170110181.db2.gz OJXHIITUIVERGG-UHFFFAOYSA-N 0 1 221.300 2.050 10 0 BEAEMN CCNCc1csc(CN2CCCCC2)n1 ZINC000045206614 170130176 /nfs/dbraw/zinc/13/01/76/170130176.db2.gz HJQOVQVQAHHAFJ-UHFFFAOYSA-N 0 1 239.388 2.239 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2occc2C)o1 ZINC000050618697 170142549 /nfs/dbraw/zinc/14/25/49/170142549.db2.gz LHTBWJVPNYGFDK-QMMMGPOBSA-N 0 1 221.260 2.309 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2scnc2C)o1 ZINC000050618777 170142604 /nfs/dbraw/zinc/14/26/04/170142604.db2.gz LHJIWSVSXBRQJC-ZETCQYMHSA-N 0 1 238.316 2.172 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2ccc(C)nc2)o1 ZINC000050618703 170143204 /nfs/dbraw/zinc/14/32/04/170143204.db2.gz ITDYQJBZTVEMJM-VIFPVBQESA-N 0 1 232.287 2.111 10 0 BEAEMN CCN[C@@H](CC)c1nnc(-c2ccccn2)o1 ZINC000061512190 170144229 /nfs/dbraw/zinc/14/42/29/170144229.db2.gz VFEJYZVOFVWVMV-VIFPVBQESA-N 0 1 232.287 2.192 10 0 BEAEMN CCN[C@@H](CO)c1c(F)cccc1Cl ZINC000038120394 170145409 /nfs/dbraw/zinc/14/54/09/170145409.db2.gz OFTALOMDVQAVET-VIFPVBQESA-N 0 1 217.671 2.122 10 0 BEAEMN CCN[C@@H](c1cccc(C)c1)c1cnccn1 ZINC000037536038 170148565 /nfs/dbraw/zinc/14/85/65/170148565.db2.gz FWQDFPFYYSNVJD-AWEZNQCLSA-N 0 1 227.311 2.484 10 0 BEAEMN CCN[C@H](c1ccsc1)c1cncnc1 ZINC000052887102 170149673 /nfs/dbraw/zinc/14/96/73/170149673.db2.gz MTCKGBFEYSUDRD-LLVKDONJSA-N 0 1 219.313 2.237 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2ccc(C)nc2)o1 ZINC000050618704 170160017 /nfs/dbraw/zinc/16/00/17/170160017.db2.gz ITDYQJBZTVEMJM-SECBINFHSA-N 0 1 232.287 2.111 10 0 BEAEMN CCN[C@H](c1ccc(OC)cc1)c1cnccn1 ZINC000037536055 170164006 /nfs/dbraw/zinc/16/40/06/170164006.db2.gz ZRENFOFHWDHOFE-CQSZACIVSA-N 0 1 243.310 2.184 10 0 BEAEMN CCN[C@@H]1c2ccc(SC)cc2NC1=O ZINC000038063776 170165943 /nfs/dbraw/zinc/16/59/43/170165943.db2.gz CFOAHMLJPDLOGI-SNVBAGLBSA-N 0 1 222.313 2.011 10 0 BEAEMN CCN[C@H]1CC[S@@](=O)c2c(F)ccc(F)c21 ZINC000040977581 170168656 /nfs/dbraw/zinc/16/86/56/170168656.db2.gz ICVIFZYIUZIEHH-FVMDXXJSSA-N 0 1 245.294 2.127 10 0 BEAEMN CC[C@@H]1CSC(NCc2cccc(C)n2)=N1 ZINC000051577191 171114618 /nfs/dbraw/zinc/11/46/18/171114618.db2.gz LUGCSYMDKHFJCR-SNVBAGLBSA-N 0 1 235.356 2.361 10 0 BEAEMN CC[C@@](C)([NH3+])c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000071396883 171172530 /nfs/dbraw/zinc/17/25/30/171172530.db2.gz IYIANCXFIFXCJM-CQSZACIVSA-N 0 1 243.310 2.021 10 0 BEAEMN CC[C@@](C)(O)CN[C@@H](COC)c1ccc(C)o1 ZINC000119086221 171184768 /nfs/dbraw/zinc/18/47/68/171184768.db2.gz WNXJHBMDYBWXFB-WCQYABFASA-N 0 1 241.331 2.026 10 0 BEAEMN CC[C@H](C)[N@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000058014050 171310302 /nfs/dbraw/zinc/31/03/02/171310302.db2.gz HFNVSLHVRIPZEE-QMMMGPOBSA-N 0 1 222.288 2.202 10 0 BEAEMN CC[C@H](C)[N@@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000058014050 171310304 /nfs/dbraw/zinc/31/03/04/171310304.db2.gz HFNVSLHVRIPZEE-QMMMGPOBSA-N 0 1 222.288 2.202 10 0 BEAEMN CC[C@H](C)[NH2+]c1ccc(N)c(C(=O)[O-])c1 ZINC000037930161 171349656 /nfs/dbraw/zinc/34/96/56/171349656.db2.gz ZIAPIXZZZBIAFF-ZETCQYMHSA-N 0 1 208.261 2.177 10 0 BEAEMN CC[C@H](C)OC(=O)[C@H](N)C1CCCCC1 ZINC000038037215 171351553 /nfs/dbraw/zinc/35/15/53/171351553.db2.gz XNTGYWBKUMFLNX-GXSJLCMTSA-N 0 1 213.321 2.236 10 0 BEAEMN CC[C@](N)(c1noc(C2CC2)n1)C(C)C ZINC000037755138 171709449 /nfs/dbraw/zinc/70/94/49/171709449.db2.gz IZSPFEKCIWTFLR-LLVKDONJSA-N 0 1 209.293 2.167 10 0 BEAEMN CCc1ccc(-c2nc(CN)co2)cc1 ZINC000082531634 171779714 /nfs/dbraw/zinc/77/97/14/171779714.db2.gz TXPDOQBZJSDQNM-UHFFFAOYSA-N 0 1 202.257 2.363 10 0 BEAEMN CCn1c(C)cc2[nH]c(=S)n(C3CC3)c(=O)c21 ZINC000103597001 172135647 /nfs/dbraw/zinc/13/56/47/172135647.db2.gz WNZHMQIAOAJSFQ-UHFFFAOYSA-N 0 1 249.339 2.150 10 0 BEAEMN CCn1cccc1CNCc1c(C)nn(C)c1C ZINC000092325179 172207075 /nfs/dbraw/zinc/20/70/75/172207075.db2.gz OKUXHKOVBJWFCC-UHFFFAOYSA-N 0 1 246.358 2.148 10 0 BEAEMN CCn1ccnc1NCc1cccc(N)c1 ZINC000052925973 172228440 /nfs/dbraw/zinc/22/84/40/172228440.db2.gz PGPLMUAETVMLEC-UHFFFAOYSA-N 0 1 216.288 2.097 10 0 BEAEMN CCn1nc(C)c(-c2csc(CN)n2)c1C ZINC000045167851 172242387 /nfs/dbraw/zinc/24/23/87/172242387.db2.gz FAUYVZNQCYUAFG-UHFFFAOYSA-N 0 1 236.344 2.102 10 0 BEAEMN CN(C)C(=O)[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000067172037 172383751 /nfs/dbraw/zinc/38/37/51/172383751.db2.gz MUPYJCIMZRZAOL-LBPRGKRZSA-N 0 1 234.343 2.072 10 0 BEAEMN C[N@H+]1CCC[C@@H]1CCOc1ccc(C(=O)[O-])cc1 ZINC000050912907 173028762 /nfs/dbraw/zinc/02/87/62/173028762.db2.gz BPOVAISZUYXVDE-GFCCVEGCSA-N 0 1 249.310 2.248 10 0 BEAEMN C[N@H+]1CC[C@@H](c2c[nH]c3cccc(O)c32)C1 ZINC000013801323 173127355 /nfs/dbraw/zinc/12/73/55/173127355.db2.gz DZKMCQNELDTDGP-SECBINFHSA-N 0 1 216.284 2.293 10 0 BEAEMN CN1CCc2ccc(Br)cc2CC1 ZINC000077951523 173171301 /nfs/dbraw/zinc/17/13/01/173171301.db2.gz UJNFJLADDUQJLV-UHFFFAOYSA-N 0 1 240.144 2.480 10 0 BEAEMN CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000116877803 173307175 /nfs/dbraw/zinc/30/71/75/173307175.db2.gz TZFUDBATHCIKOB-TZMCWYRMSA-N 0 1 246.354 2.001 10 0 BEAEMN CNCC(=O)c1ccc(OCC(C)C)cc1 ZINC000071523171 173335762 /nfs/dbraw/zinc/33/57/62/173335762.db2.gz YFEGHIXSKLPDIJ-UHFFFAOYSA-N 0 1 221.300 2.124 10 0 BEAEMN CNCC(=O)c1cccc(C(F)(F)F)c1 ZINC000082543285 173335823 /nfs/dbraw/zinc/33/58/23/173335823.db2.gz WZFWUXSCLDJBEB-UHFFFAOYSA-N 0 1 217.190 2.108 10 0 BEAEMN CNCc1c(F)c(F)c(F)c(F)c1F ZINC000035151041 173384583 /nfs/dbraw/zinc/38/45/83/173384583.db2.gz DBYOITSSGOBYLB-UHFFFAOYSA-N 0 1 211.133 2.102 10 0 BEAEMN CNCc1nnc(-c2cc(Cl)ccc2F)o1 ZINC000050615332 173397415 /nfs/dbraw/zinc/39/74/15/173397415.db2.gz QXUJXBGHYRVALP-UHFFFAOYSA-N 0 1 241.653 2.249 10 0 BEAEMN CN[C@H](C)c1nnc(-c2ccccc2C)o1 ZINC000050618254 173450886 /nfs/dbraw/zinc/45/08/86/173450886.db2.gz OQGJYXQWTJBIOM-SECBINFHSA-N 0 1 217.272 2.325 10 0 BEAEMN CN[C@H](C)c1nnc(-c2sccc2C)o1 ZINC000050618370 173450905 /nfs/dbraw/zinc/45/09/05/173450905.db2.gz UCYKUFHPWUKNMN-SSDOTTSWSA-N 0 1 223.301 2.387 10 0 BEAEMN CN[C@H](c1cnccn1)c1ccccc1C ZINC000037469116 173458961 /nfs/dbraw/zinc/45/89/61/173458961.db2.gz SQIDIOZGNVLSMZ-ZDUSSCGKSA-N 0 1 213.284 2.094 10 0 BEAEMN COCCCOC[C@@H](N)c1cc2ccccc2o1 ZINC000037747190 174254719 /nfs/dbraw/zinc/25/47/19/174254719.db2.gz NBLVKVVAKFEPGF-GFCCVEGCSA-N 0 1 249.310 2.486 10 0 BEAEMN COc1ccc(F)cc1[C@@H](N)c1ccncc1 ZINC000034957092 175132536 /nfs/dbraw/zinc/13/25/36/175132536.db2.gz YPXZIDLWTLVHDR-ZDUSSCGKSA-N 0 1 232.258 2.277 10 0 BEAEMN COc1ccc(OC)c(C(=O)C2(N)CCCC2)c1 ZINC000011630613 175164220 /nfs/dbraw/zinc/16/42/20/175164220.db2.gz CPFOEAKMHWLBRP-UHFFFAOYSA-N 0 1 249.310 2.158 10 0 BEAEMN COc1ccc(OC)c(C(=O)[C@@H]2CCCCN2)c1 ZINC000058327613 175164317 /nfs/dbraw/zinc/16/43/17/175164317.db2.gz MPVRDCUSGVJHQM-LBPRGKRZSA-N 0 1 249.310 2.029 10 0 BEAEMN COc1ccc(OC)c([C@H]2CSCCN2)c1 ZINC000041282384 175169130 /nfs/dbraw/zinc/16/91/30/175169130.db2.gz TZOZVWPGVSQPDD-LLVKDONJSA-N 0 1 239.340 2.081 10 0 BEAEMN COc1ccc(OC)c2c(N)cc(C)nc12 ZINC000040175633 175169450 /nfs/dbraw/zinc/16/94/50/175169450.db2.gz FBFKIUSYJDMUKP-UHFFFAOYSA-N 0 1 218.256 2.143 10 0 BEAEMN COc1cccc(C(=O)[C@H](N)CC(C)C)c1 ZINC000071522939 175247282 /nfs/dbraw/zinc/24/72/82/175247282.db2.gz IMSFYWQPQOKYPC-GFCCVEGCSA-N 0 1 221.300 2.251 10 0 BEAEMN COc1cccc(Cc2nnc([C@H](C)N)s2)c1 ZINC000088810781 175273114 /nfs/dbraw/zinc/27/31/14/175273114.db2.gz PFIPJRPXCHKNDZ-QMMMGPOBSA-N 0 1 249.339 2.157 10 0 BEAEMN COc1cccc([C@H](N)c2cc(C)ccn2)c1 ZINC000104427469 175294956 /nfs/dbraw/zinc/29/49/56/175294956.db2.gz YGMYIKVTYSEUNO-AWEZNQCLSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1ccccc1C(=O)[C@H]1CCCCN1 ZINC000071521298 175320213 /nfs/dbraw/zinc/32/02/13/175320213.db2.gz DEFAGFSZPSHPKP-LLVKDONJSA-N 0 1 219.284 2.020 10 0 BEAEMN COc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)CC1CC1 ZINC000077427139 175343535 /nfs/dbraw/zinc/34/35/35/175343535.db2.gz OUHNWZWCXDAFMM-ZDUSSCGKSA-N 0 1 249.310 2.163 10 0 BEAEMN C[C@@H]([C@@H]1CCCO1)n1c(N)nc2ccccc21 ZINC000035736351 176012336 /nfs/dbraw/zinc/01/23/36/176012336.db2.gz PIMCYCLINGXPQD-CABZTGNLSA-N 0 1 231.299 2.359 10 0 BEAEMN C[C@@H](c1ccccn1)n1c(N)nc2ccccc21 ZINC000035695300 176027968 /nfs/dbraw/zinc/02/79/68/176027968.db2.gz PXFXCLMTMYBVRF-JTQLQIEISA-N 0 1 238.294 2.453 10 0 BEAEMN C[C@@H]1CC(C)(C)C[C@](N)(c2ncon2)C1 ZINC000036762101 176052705 /nfs/dbraw/zinc/05/27/05/176052705.db2.gz VSWUSITZJMVUPS-KCJUWKMLSA-N 0 1 209.293 2.070 10 0 BEAEMN C[C@@H]1CCCCN1CC(=O)NC1CCCCC1 ZINC000014193864 176069783 /nfs/dbraw/zinc/06/97/83/176069783.db2.gz KLJGBIIWKRZDBF-GFCCVEGCSA-N 0 1 238.375 2.310 10 0 BEAEMN C[C@@H]1CCCC[C@@]1(N)C(=O)OC(C)(C)C ZINC000041038358 176083763 /nfs/dbraw/zinc/08/37/63/176083763.db2.gz QQMSPLHHUQXYNS-SKDRFNHKSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@@H]1CCC[C@@H](C)N1Cc1csc(N)n1 ZINC000036732538 176116463 /nfs/dbraw/zinc/11/64/63/176116463.db2.gz KPFGMCHNMGXYOG-RKDXNWHRSA-N 0 1 225.361 2.488 10 0 BEAEMN C[C@@H]1CCC[C@H]([N@@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859728 176140871 /nfs/dbraw/zinc/14/08/71/176140871.db2.gz JYMDVABOMXLBFM-CEIHKIRRSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@@H]1CCC[C@H](OCc2cc(CN)no2)C1 ZINC000052631983 176146407 /nfs/dbraw/zinc/14/64/07/176146407.db2.gz BVUWMWPRONQTCB-KOLCDFICSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@@H]1CCC[C@](N)(C(=O)OC(C)(C)C)C1 ZINC000041036800 176152503 /nfs/dbraw/zinc/15/25/03/176152503.db2.gz JXVAXIFUJGXWIA-BXKDBHETSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@@H]1CC[N@@H+](CC(C)(C)C(=O)[O-])[C@H](C)C1 ZINC000051748607 176168259 /nfs/dbraw/zinc/16/82/59/176168259.db2.gz QVMKPCSLYLSIPJ-NXEZZACHSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1CNC[C@@H](c2ccc(Cl)s2)O1 ZINC000035286467 176328572 /nfs/dbraw/zinc/32/85/72/176328572.db2.gz SHDWLCJZQZRVPB-RQJHMYQMSA-N 0 1 217.721 2.451 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1Cc1ccccc1 ZINC000120978434 176346756 /nfs/dbraw/zinc/34/67/56/176346756.db2.gz HSPOZEDSMWQHCR-VXGBXAGGSA-N 0 1 205.301 2.296 10 0 BEAEMN C[C@@H](NC1=N[C@H](C)CS1)c1ccco1 ZINC000035739652 176349490 /nfs/dbraw/zinc/34/94/90/176349490.db2.gz PMNILDFQAOZPHW-HTQZYQBOSA-N 0 1 210.302 2.422 10 0 BEAEMN C[C@H](c1cccs1)[N@H+]1CCC[C@H](O)C1 ZINC000095089050 177049083 /nfs/dbraw/zinc/04/90/83/177049083.db2.gz JEOARMHSRANYEO-ZJUUUORDSA-N 0 1 211.330 2.266 10 0 BEAEMN C[C@H]1CCCCN1CC(=O)Nc1ccccc1N ZINC000022152047 177073834 /nfs/dbraw/zinc/07/38/34/177073834.db2.gz WMBHPABDWBBKSX-NSHDSACASA-N 0 1 247.342 2.082 10 0 BEAEMN C[C@H]1CCCC[C@]1(N)c1noc(C(F)(F)F)n1 ZINC000036765000 177090099 /nfs/dbraw/zinc/09/00/99/177090099.db2.gz RIATYVIFUOZEIP-IMTBSYHQSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@H](NC1=NC[C@H](C)S1)c1ccco1 ZINC000035739655 177282061 /nfs/dbraw/zinc/28/20/61/177282061.db2.gz YCWMCJFUFYANFM-YUMQZZPRSA-N 0 1 210.302 2.422 10 0 BEAEMN C[C@H]1CO[C@@H](c2c(F)cccc2F)CN1 ZINC000036986490 177300337 /nfs/dbraw/zinc/30/03/37/177300337.db2.gz WMVBIWWNGZIJEU-OIBJUYFYSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@@H](NC1=N[C@@H](C)CS1)c1ccccn1 ZINC000035695356 177302970 /nfs/dbraw/zinc/30/29/70/177302970.db2.gz AHBLDYHQRPRKOX-DTWKUNHWSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@H]1C[C@@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000134056951 177345479 /nfs/dbraw/zinc/34/54/79/177345479.db2.gz SXNSEWCPMHQJEH-NWDGAFQWSA-N 0 1 242.326 2.013 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1ncnn1C(C)C ZINC000233411431 487713965 /nfs/dbraw/zinc/71/39/65/487713965.db2.gz NKUSAKOAJWXHMQ-WDEREUQCSA-N 0 1 222.336 2.137 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1ncnn1C(C)C ZINC000233417069 487714050 /nfs/dbraw/zinc/71/40/50/487714050.db2.gz NKUSAKOAJWXHMQ-QWRGUYRKSA-N 0 1 222.336 2.137 10 0 BEAEMN Cc1n[nH]c(C=CBr)c1C ZINC000685964600 585028532 /nfs/dbraw/zinc/02/85/32/585028532.db2.gz OTMKYIJNIOXSET-ONEGZZNKSA-N 0 1 201.067 2.392 10 0 BEAEMN COCc1nc(CN[C@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000309890619 487782687 /nfs/dbraw/zinc/78/26/87/487782687.db2.gz CIWVSBJRVJYJQA-IAZYJMLFSA-N 0 1 238.356 2.178 10 0 BEAEMN C[C@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])CC1 ZINC000302341391 487956267 /nfs/dbraw/zinc/95/62/67/487956267.db2.gz MBGKHUYTMPUVSK-NSHDSACASA-N 0 1 248.326 2.402 10 0 BEAEMN Cc1ccc([C@H](C)NCc2cnnn2C)cc1F ZINC000123021850 324077185 /nfs/dbraw/zinc/07/71/85/324077185.db2.gz MXQIMHORCLDKGS-JTQLQIEISA-N 0 1 248.305 2.113 10 0 BEAEMN Cc1ccc([C@H](C)NCCn2ccccc2=O)o1 ZINC000211902077 487970078 /nfs/dbraw/zinc/97/00/78/487970078.db2.gz KWAZLFMNBIYZPK-LBPRGKRZSA-N 0 1 246.310 2.101 10 0 BEAEMN C[C@@H]1CCC[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000225423838 488078000 /nfs/dbraw/zinc/07/80/00/488078000.db2.gz ZHDNNRNPCWHUFQ-UTLUCORTSA-N 0 1 221.304 2.398 10 0 BEAEMN C[N@@H+](CCC(C)(C)C)Cc1oncc1C(=O)[O-] ZINC000399733580 487496424 /nfs/dbraw/zinc/49/64/24/487496424.db2.gz SFBKVVSOTJKAGT-UHFFFAOYSA-N 0 1 240.303 2.241 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300224919 487505062 /nfs/dbraw/zinc/50/50/62/487505062.db2.gz PVSAMJHVSMDOLB-DGCLKSJQSA-N 0 1 227.348 2.464 10 0 BEAEMN CC(C)COC1CCN(Cc2cncnc2)CC1 ZINC000126605398 490301701 /nfs/dbraw/zinc/30/17/01/490301701.db2.gz JYPIUMLDZVBRHN-UHFFFAOYSA-N 0 1 249.358 2.114 10 0 BEAEMN C[C@@H](NCc1ccc(C(C)(C)C)s1)C(N)=O ZINC000126307667 490506022 /nfs/dbraw/zinc/50/60/22/490506022.db2.gz NMCXOVPCRVINIX-MRVPVSSYSA-N 0 1 240.372 2.009 10 0 BEAEMN CC1(C)C[C@H](O)c2cc3[nH]cnc3cc21 ZINC000057347027 520558882 /nfs/dbraw/zinc/55/88/82/520558882.db2.gz GIAUMBKASKASBS-NSHDSACASA-N 0 1 202.257 2.278 10 0 BEAEMN CCNc1cc(CC)nc(N2CCCCC2)n1 ZINC000050851268 535520763 /nfs/dbraw/zinc/52/07/63/535520763.db2.gz MGUCOWSKIIEAEQ-UHFFFAOYSA-N 0 1 234.347 2.461 10 0 BEAEMN C[C@@H]1C[C@]2(CC[N@@H+]1C)NCCc1sccc12 ZINC000397268329 583099420 /nfs/dbraw/zinc/09/94/20/583099420.db2.gz CFHKSBXMPGRABL-MFKMUULPSA-N 0 1 236.384 2.203 10 0 BEAEMN FC(F)(F)[C@@H]1CNCc2ccccc21 ZINC000214274365 582457901 /nfs/dbraw/zinc/45/79/01/582457901.db2.gz MYLHWAPUKOBFOT-SECBINFHSA-N 0 1 201.191 2.436 10 0 BEAEMN CC1=NN([C@H](C)C2CCOCC2)C(=S)C1 ZINC000757165772 582547920 /nfs/dbraw/zinc/54/79/20/582547920.db2.gz LZEQDNCNONMPMQ-SECBINFHSA-N 0 1 226.345 2.468 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](c1ccccn1)CC2 ZINC000236044831 582637843 /nfs/dbraw/zinc/63/78/43/582637843.db2.gz ULLDCOPUYIYRAT-LLVKDONJSA-N 0 1 214.272 2.143 10 0 BEAEMN CCn1cncc1[C@@H]1NCCc2sccc21 ZINC000397165285 583098660 /nfs/dbraw/zinc/09/86/60/583098660.db2.gz ZQUCHQFCGVRNQP-GFCCVEGCSA-N 0 1 233.340 2.200 10 0 BEAEMN Fc1ccc(Br)cc1-c1nc[nH]n1 ZINC000757566767 586306446 /nfs/dbraw/zinc/30/64/46/586306446.db2.gz NTJWPVITPRTXCO-UHFFFAOYSA-N 0 1 242.051 2.373 10 0 BEAEMN CC[C@H](N)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757151685 586429566 /nfs/dbraw/zinc/42/95/66/586429566.db2.gz JGTRSSNYWKSACY-NSHDSACASA-N 0 1 225.719 2.497 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000757189002 586435206 /nfs/dbraw/zinc/43/52/06/586435206.db2.gz IXEDRNZXUWECHQ-QWHCGFSZSA-N 0 1 233.311 2.115 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)C1 ZINC000757193331 586436491 /nfs/dbraw/zinc/43/64/91/586436491.db2.gz SLYVMOFQRDZEIB-KGLIPLIRSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@H](C(=O)[O-])C1 ZINC000757193679 586436573 /nfs/dbraw/zinc/43/65/73/586436573.db2.gz UGCFXVSZZYCOQK-QWHCGFSZSA-N 0 1 233.311 2.115 10 0 BEAEMN CCOc1cc(F)ccc1-c1nnc[nH]1 ZINC000757566279 586461630 /nfs/dbraw/zinc/46/16/30/586461630.db2.gz IUACPZLLNBRJMG-UHFFFAOYSA-N 0 1 207.208 2.010 10 0 BEAEMN CC[C@H](NCC(OC)OC)c1ccccc1F ZINC000122502355 589595298 /nfs/dbraw/zinc/59/52/98/589595298.db2.gz WZIUGYOMJSGBEJ-LBPRGKRZSA-N 0 1 241.306 2.485 10 0 BEAEMN CC(C)CCNCc1cnn(-c2ccccc2)n1 ZINC000020245963 590092535 /nfs/dbraw/zinc/09/25/35/590092535.db2.gz YQGUZDBYIJRFIX-UHFFFAOYSA-N 0 1 244.342 2.403 10 0 BEAEMN Cc1ccc([C@H]2C[N@@H+](C)C[C@H]2C(=O)[O-])cc1C ZINC000251147757 635529470 /nfs/dbraw/zinc/52/94/70/635529470.db2.gz BAPLKOOJUQCAQN-CHWSQXEVSA-N 0 1 233.311 2.033 10 0 BEAEMN CC(=O)[C@H]1CCCN(C/C=C/Cl)C1 ZINC000082644575 631410505 /nfs/dbraw/zinc/41/05/05/631410505.db2.gz AFHZOGSYMSTZRH-GFAPAMAISA-N 0 1 201.697 2.040 10 0 BEAEMN C[C@H](NCc1nc(Cl)cs1)[C@H]1CCCO1 ZINC000309087944 631875753 /nfs/dbraw/zinc/87/57/53/631875753.db2.gz ABZZGSMEQFEEGS-JGVFFNPUSA-N 0 1 246.763 2.454 10 0 BEAEMN CC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000051287436 632491480 /nfs/dbraw/zinc/49/14/80/632491480.db2.gz YETWVSREEQLWTH-UHFFFAOYSA-N 0 1 201.310 2.075 10 0 BEAEMN CCCCc1nc(CNC(C)(C)CO)cs1 ZINC000309714279 632654120 /nfs/dbraw/zinc/65/41/20/632654120.db2.gz SBLVCLIDGOWOTN-UHFFFAOYSA-N 0 1 242.388 2.346 10 0 BEAEMN CC(C)Cc1nc([C@H](N)C(C)(C)C)n(C)n1 ZINC000054699049 640319455 /nfs/dbraw/zinc/31/94/55/640319455.db2.gz OAFYTRXEBZZOIY-JTQLQIEISA-N 0 1 224.352 2.060 10 0 BEAEMN CC[C@H](NC)c1nc(C2CCCC2)nn1C ZINC000054699278 640320327 /nfs/dbraw/zinc/32/03/27/640320327.db2.gz NHKFBAPHHVLYKY-JTQLQIEISA-N 0 1 222.336 2.143 10 0 BEAEMN Cc1cnc([C@H](C)NCCCCCCO)o1 ZINC000230645575 641076330 /nfs/dbraw/zinc/07/63/30/641076330.db2.gz ONTCXPYGQRBEFK-NSHDSACASA-N 0 1 226.320 2.186 10 0 BEAEMN C[C@H]1COC[C@H](C)N1CCc1cccs1 ZINC000077364866 641850606 /nfs/dbraw/zinc/85/06/06/641850606.db2.gz WTQKWVOPFKSKOV-QWRGUYRKSA-N 0 1 225.357 2.400 10 0 BEAEMN C[C@H](NCc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000183154470 643093795 /nfs/dbraw/zinc/09/37/95/643093795.db2.gz ABIDIGMWKRZYAV-IINYFYTJSA-N 0 1 248.301 2.354 10 0 BEAEMN Cl/C=C\CN1CCC(c2cc[nH]n2)CC1 ZINC000254970072 643191158 /nfs/dbraw/zinc/19/11/58/643191158.db2.gz KRJYFHVDNRFBKO-KTAJNNJTSA-N 0 1 225.723 2.342 10 0 BEAEMN c1cc2cccc(NCc3nn[nH]n3)c2s1 ZINC000757122318 643238409 /nfs/dbraw/zinc/23/84/09/643238409.db2.gz GJGMWJVGZXKXIF-UHFFFAOYSA-N 0 1 231.284 2.027 10 0 BEAEMN CC[C@@H](C)c1noc(CNCC2CC2)n1 ZINC000082561192 643342786 /nfs/dbraw/zinc/34/27/86/643342786.db2.gz LQXKLTAPAINEAW-MRVPVSSYSA-N 0 1 209.293 2.083 10 0 BEAEMN CO[C@H]1CCC[C@H]1NCc1csc(C)n1 ZINC000049948852 643564699 /nfs/dbraw/zinc/56/46/99/643564699.db2.gz JXWAVORZWYBDLW-MNOVXSKESA-N 0 1 226.345 2.109 10 0 BEAEMN C[C@H](NC/C(Cl)=C\Cl)[C@H]1CCCO1 ZINC000252640869 644872253 /nfs/dbraw/zinc/87/22/53/644872253.db2.gz LHVWOXJCMXPLQV-YUHKZXITSA-N 0 1 224.131 2.463 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1nnc(CC)s1 ZINC000702715180 712059917 /nfs/dbraw/zinc/05/99/17/712059917.db2.gz ZOFRUNVWHITGFQ-IUCAKERBSA-N 0 1 225.361 2.379 10 0 BEAEMN OC[C@@H]1CCCCN1CCSC(F)(F)F ZINC000123698840 712694054 /nfs/dbraw/zinc/69/40/54/712694054.db2.gz UBFJFQUSUGJOET-QMMMGPOBSA-N 0 1 243.294 2.086 10 0 BEAEMN CC[C@@H]1C[C@H]1CN1CCCC[C@H]1C(=O)OC ZINC000723091204 710726060 /nfs/dbraw/zinc/72/60/60/710726060.db2.gz GLIMVSPORMXVFD-WOPDTQHZSA-N 0 1 225.332 2.060 10 0 BEAEMN Fc1ccccc1[C@H]1CCNc2nccn21 ZINC000236178814 711490552 /nfs/dbraw/zinc/49/05/52/711490552.db2.gz AVSOIZXWXTUURA-LLVKDONJSA-N 0 1 217.247 2.427 10 0 BEAEMN Cc1cnc(CNCc2cccn2C)c(C)c1 ZINC000724023130 711556938 /nfs/dbraw/zinc/55/69/38/711556938.db2.gz MXPUDGRGFOKBLB-UHFFFAOYSA-N 0 1 229.327 2.327 10 0 BEAEMN CC[C@H]1CCC[C@H]1[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000700466627 711993776 /nfs/dbraw/zinc/99/37/76/711993776.db2.gz CDZFBGOHIWUELZ-WDEREUQCSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H](C)C2CCCC2)n1 ZINC000700466585 711993846 /nfs/dbraw/zinc/99/38/46/711993846.db2.gz WOIMZPKHJFZXES-JTQLQIEISA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000700467775 711994059 /nfs/dbraw/zinc/99/40/59/711994059.db2.gz YTGSHKVPTYXDBW-MVWJERBFSA-N 0 1 249.358 2.405 10 0 BEAEMN CCC(C)(C)[C@H](C)[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000700480750 711994233 /nfs/dbraw/zinc/99/42/33/711994233.db2.gz UYQFVBZKMZQBQW-JTQLQIEISA-N 0 1 237.347 2.405 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@H]2CC3CCC2CC3)n1 ZINC000700482201 711994447 /nfs/dbraw/zinc/99/44/47/711994447.db2.gz HZLZGCDUYLPQBI-MCIGGMRASA-N 0 1 247.342 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000700463072 711996050 /nfs/dbraw/zinc/99/60/50/711996050.db2.gz RIQKXSQVBYTFLG-JFGNBEQYSA-N 0 1 249.358 2.405 10 0 BEAEMN COC(=O)c1sccc1CN[C@H]1C[C@H]1C ZINC000378659272 712356246 /nfs/dbraw/zinc/35/62/46/712356246.db2.gz FLMWOBKANXHKOE-APPZFPTMSA-N 0 1 225.313 2.033 10 0 BEAEMN Cc1nonc1CNC1(C2CCC2)CCC1 ZINC000717854192 712396501 /nfs/dbraw/zinc/39/65/01/712396501.db2.gz UQAKVKFESNSCJX-UHFFFAOYSA-N 0 1 221.304 2.190 10 0 BEAEMN C[C@@H](N[C@@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595225 712856525 /nfs/dbraw/zinc/85/65/25/712856525.db2.gz JUIUYZXMRBPONE-VXGBXAGGSA-N 0 1 234.347 2.355 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@@H]1C ZINC000706917550 954959499 /nfs/dbraw/zinc/95/94/99/954959499.db2.gz QSZWBELAISXFPO-HTQZYQBOSA-N 0 1 225.313 2.287 10 0 BEAEMN C[C@H](Cc1ccsc1)[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000689949639 976270844 /nfs/dbraw/zinc/27/08/44/976270844.db2.gz SEBMDOIGESAWIV-SECBINFHSA-N 0 1 241.356 2.474 10 0 BEAEMN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635242 976378426 /nfs/dbraw/zinc/37/84/26/976378426.db2.gz TVBHSVUNQYWRSM-MXWKQRLJSA-N 0 1 225.332 2.218 10 0 BEAEMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1(C)CC1 ZINC000706570018 977355187 /nfs/dbraw/zinc/35/51/87/977355187.db2.gz RXWIVIBZFCFFIA-QMMMGPOBSA-N 0 1 220.272 2.380 10 0 BEAEMN Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c(F)c1 ZINC000686308086 954608971 /nfs/dbraw/zinc/60/89/71/954608971.db2.gz GEILRWJAGFKFEI-LBPRGKRZSA-N 0 1 237.274 2.183 10 0 BEAEMN CC(C)(C)C[N@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000692144300 954692698 /nfs/dbraw/zinc/69/26/98/954692698.db2.gz KAWQCCOXVMSSEC-UHFFFAOYSA-N 0 1 249.301 2.464 10 0 BEAEMN O=C([O-])CCCC[N@H+]1CCCC2(CC2)C1 ZINC000695119680 954807287 /nfs/dbraw/zinc/80/72/87/954807287.db2.gz NPRJMAVPGNGKKB-UHFFFAOYSA-N 0 1 211.305 2.117 10 0 BEAEMN O=C([O-])CCCC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706745200 954954863 /nfs/dbraw/zinc/95/48/63/954954863.db2.gz UTDWBSMMZHXCLB-QWRGUYRKSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000706917552 954960554 /nfs/dbraw/zinc/96/05/54/954960554.db2.gz QSZWBELAISXFPO-JGVFFNPUSA-N 0 1 225.313 2.287 10 0 BEAEMN C[C@H]1CC[N@@H+](CC2=CCCC2)C[C@H]1C(=O)[O-] ZINC000710495469 955026693 /nfs/dbraw/zinc/02/66/93/955026693.db2.gz NQSZMSHSEZBQHX-CMPLNLGQSA-N 0 1 223.316 2.139 10 0 BEAEMN Cc1cc(C)cc(-n2ncc(CNC(C)C)n2)c1 ZINC000051174848 958408913 /nfs/dbraw/zinc/40/89/13/958408913.db2.gz ZILPSTATBQDGEK-UHFFFAOYSA-N 0 1 244.342 2.382 10 0 BEAEMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703868066 969001258 /nfs/dbraw/zinc/00/12/58/969001258.db2.gz IFYQJXIZEAVHRO-UHFFFAOYSA-N 0 1 242.706 2.032 10 0 BEAEMN CC(C)CCCC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000703949116 969002155 /nfs/dbraw/zinc/00/21/55/969002155.db2.gz DGXVRISJJIYDMT-LLVKDONJSA-N 0 1 215.337 2.465 10 0 BEAEMN C[N@@H+](CCCC(=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC000714338728 969076414 /nfs/dbraw/zinc/07/64/14/969076414.db2.gz LKTCCNBDTMWDNA-NSHDSACASA-N 0 1 243.347 2.131 10 0 BEAEMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000399815009 973242000 /nfs/dbraw/zinc/24/20/00/973242000.db2.gz YDPURPAEGSDAOW-OUAUKWLOSA-N 0 1 227.348 2.464 10 0 BEAEMN C[C@H]1CCCC[C@H]1[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635894 976378517 /nfs/dbraw/zinc/37/85/17/976378517.db2.gz ZAIFSSWUIGRLDE-WDEREUQCSA-N 0 1 225.332 2.362 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC=C(Cl)C1 ZINC000695089453 976776323 /nfs/dbraw/zinc/77/63/23/976776323.db2.gz DODYWHHXHSCLTQ-JTQLQIEISA-N 0 1 231.723 2.314 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](C)CC1 ZINC000695166583 976787356 /nfs/dbraw/zinc/78/73/56/976787356.db2.gz MSWBWSWTNULZCZ-MNOVXSKESA-N 0 1 245.388 2.313 10 0 BEAEMN Cc1cc(C[N@H+](C)C(C)(C)CC(=O)[O-])sn1 ZINC000703298716 977161922 /nfs/dbraw/zinc/16/19/22/977161922.db2.gz BKWDYNDWKFKWBU-UHFFFAOYSA-N 0 1 242.344 2.137 10 0 BEAEMN C[C@H]1CC[C@H](C)N1c1cc(C(=O)[O-])cc[nH+]1 ZINC000706234581 977310712 /nfs/dbraw/zinc/31/07/12/977310712.db2.gz UDTWCWMMMQVVED-IUCAKERBSA-N 0 1 220.272 2.157 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)nc1 ZINC000706437918 977320357 /nfs/dbraw/zinc/32/03/57/977320357.db2.gz PMIFBEARKARUFM-CYBMUJFWSA-N 0 1 246.310 2.154 10 0 BEAEMN CC[N@@H+](C/C(C)=C\C(=O)[O-])[C@@H](C)C(C)C ZINC000706666170 977358204 /nfs/dbraw/zinc/35/82/04/977358204.db2.gz KBXFYVLLKZEOSC-BRNRAETOSA-N 0 1 213.321 2.384 10 0 BEAEMN CC[N@@H+](C/C(C)=C\C(=O)[O-])[C@H](C)C(C)C ZINC000706666173 977358363 /nfs/dbraw/zinc/35/83/63/977358363.db2.gz KBXFYVLLKZEOSC-ZJRUKIMVSA-N 0 1 213.321 2.384 10 0 BEAEMN CC[N@@H+](CC1(CC(=O)[O-])CC1)C1CCC1 ZINC000706771736 977361605 /nfs/dbraw/zinc/36/16/05/977361605.db2.gz UJVSTPOCAYWTCT-UHFFFAOYSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@@H]1C ZINC000706915252 977368486 /nfs/dbraw/zinc/36/84/86/977368486.db2.gz MWTZLBWDCFNSNE-HTQZYQBOSA-N 0 1 225.313 2.287 10 0 BEAEMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000707006281 977372528 /nfs/dbraw/zinc/37/25/28/977372528.db2.gz WFOJZTJQXQQEGO-WCBMZHEXSA-N 0 1 237.324 2.349 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)s1 ZINC000707002882 977372560 /nfs/dbraw/zinc/37/25/60/977372560.db2.gz MJLBXYAHKJVDJR-IONNQARKSA-N 0 1 223.297 2.041 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC000707002873 977372767 /nfs/dbraw/zinc/37/27/67/977372767.db2.gz MJLBXYAHKJVDJR-APPZFPTMSA-N 0 1 223.297 2.041 10 0 BEAEMN O=C([O-])CCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000708821952 977444113 /nfs/dbraw/zinc/44/41/13/977444113.db2.gz IHJAEKJAKJZSDG-LBPRGKRZSA-N 0 1 225.332 2.363 10 0 BEAEMN C[C@H]1C[N@@H+](CCCCCF)C[C@]1(C)C(=O)[O-] ZINC000710161127 977488453 /nfs/dbraw/zinc/48/84/53/977488453.db2.gz OFXLSYKNUPTJKX-JQWIXIFHSA-N 0 1 231.311 2.169 10 0 BEAEMN C=C/C=C/CC[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000713711162 977658169 /nfs/dbraw/zinc/65/81/69/977658169.db2.gz QSFCPHSCVQIEHF-PCAWENJQSA-N 0 1 223.316 2.448 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC000718074576 977941593 /nfs/dbraw/zinc/94/15/93/977941593.db2.gz XNOMWDFQFCFNEQ-FZMZJTMJSA-N 0 1 249.310 2.275 10 0 BEAEMN Cc1ccc(C[N@@H+](C)CCCCC(=O)[O-])nc1 ZINC000719395863 978000986 /nfs/dbraw/zinc/00/09/86/978000986.db2.gz PDTDJMFUWNBHRE-UHFFFAOYSA-N 0 1 236.315 2.077 10 0 BEAEMN CCC(C)(C)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721541402 978116950 /nfs/dbraw/zinc/11/69/50/978116950.db2.gz NJRHLYVYIPUKTR-UHFFFAOYSA-N 0 1 236.315 2.400 10 0 BEAEMN CC[N@@H+](CCC1CC1)Cc1cncc(C(=O)[O-])c1 ZINC000721581541 978119475 /nfs/dbraw/zinc/11/94/75/978119475.db2.gz RVLWGZHGBHLDDQ-UHFFFAOYSA-N 0 1 248.326 2.402 10 0 BEAEMN C[C@@H]1C[C@@]2(CC(C)(C)C1)C(=O)CCN2C ZINC000685954569 538899457 /nfs/dbraw/zinc/89/94/57/538899457.db2.gz OHOAXCVQODNSEP-GXFFZTMASA-N 0 1 209.333 2.476 10 0 BEAEMN CC(C)C(=O)[C@@H](N)[C@@H](C)OCc1ccccc1 ZINC000685961090 538908075 /nfs/dbraw/zinc/90/80/75/538908075.db2.gz BIABTUZMCIHKNJ-YPMHNXCESA-N 0 1 235.327 2.144 10 0 BEAEMN Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)ccc1N ZINC000035787431 178005930 /nfs/dbraw/zinc/00/59/30/178005930.db2.gz ZKNRWWAKEHPCKT-NWDGAFQWSA-N 0 1 234.343 2.186 10 0 BEAEMN C[C@H]1NCCC[C@]1(F)c1cncs1 ZINC000575517711 398177220 /nfs/dbraw/zinc/17/72/20/398177220.db2.gz HVRZXNDAOKXSKQ-VXNVDRBHSA-N 0 1 200.282 2.080 10 0 BEAEMN CCC[C@@H]1C[C@@H]1N[C@H]1CCn2ccnc21 ZINC000293904562 398206256 /nfs/dbraw/zinc/20/62/56/398206256.db2.gz HNOGKCXAHBCRFF-VWYCJHECSA-N 0 1 205.305 2.106 10 0 BEAEMN Cc1cc(NC(=O)c2cnccc2N)ccc1F ZINC000127637885 178151360 /nfs/dbraw/zinc/15/13/60/178151360.db2.gz KANXQBSGCWTBNO-UHFFFAOYSA-N 0 1 245.257 2.364 10 0 BEAEMN Cc1[nH+]c2cc(C)c(C)cc2n1CCC(=O)[O-] ZINC000051848313 178302542 /nfs/dbraw/zinc/30/25/42/178302542.db2.gz OBCNYXIDWZURAC-UHFFFAOYSA-N 0 1 232.283 2.436 10 0 BEAEMN Cc1ccc(-c2ccc(NN)nn2)cc1C ZINC000011567890 178325431 /nfs/dbraw/zinc/32/54/31/178325431.db2.gz CFQTUEFJSKDWLL-UHFFFAOYSA-N 0 1 214.272 2.046 10 0 BEAEMN Cc1ccc(-c2nc([C@@H](N)C3CC3)no2)c(C)n1 ZINC000055331704 178335813 /nfs/dbraw/zinc/33/58/13/178335813.db2.gz AXOQYMZIYDEBPZ-NSHDSACASA-N 0 1 244.298 2.158 10 0 BEAEMN Cc1ccc(-c2nc([C@@H](C)N)no2)c(C)c1 ZINC000041052269 178336032 /nfs/dbraw/zinc/33/60/32/178336032.db2.gz MCXDVWAXUFCBNV-SECBINFHSA-N 0 1 217.272 2.373 10 0 BEAEMN CCOC(=O)[C@@H](C)N(C)CC1CCSCC1 ZINC000602467365 349540078 /nfs/dbraw/zinc/54/00/78/349540078.db2.gz IPVBSASBKATOQK-SNVBAGLBSA-N 0 1 245.388 2.013 10 0 BEAEMN Cc1ccc(-c2nnc([C@@H]3CCCO3)[nH]2)cc1N ZINC000072236723 178332000 /nfs/dbraw/zinc/33/20/00/178332000.db2.gz CAUMFEHGHKZPCT-NSHDSACASA-N 0 1 244.298 2.214 10 0 BEAEMN CC[C@H](N)C(=O)c1c(F)ccc(C)c1F ZINC000226542353 342771415 /nfs/dbraw/zinc/77/14/15/342771415.db2.gz SIGNVKDYHCSWAC-QMMMGPOBSA-N 0 1 213.227 2.193 10 0 BEAEMN Cc1ccc(C(=O)[O-])c(N(C)[C@@H](C)C2CC2)[nH+]1 ZINC000054533943 178441918 /nfs/dbraw/zinc/44/19/18/178441918.db2.gz BUXOUBPXZGOREU-VIFPVBQESA-N 0 1 234.299 2.323 10 0 BEAEMN Oc1ccc([C@H]2NCCc3occc32)cc1 ZINC000709987842 539027700 /nfs/dbraw/zinc/02/77/00/539027700.db2.gz BTOCMDMVEVBUPN-CYBMUJFWSA-N 0 1 215.252 2.220 10 0 BEAEMN CCCCCC(=O)C1=C(O)C(C)(C)OC1 ZINC000392787398 539028060 /nfs/dbraw/zinc/02/80/60/539028060.db2.gz BCCXSEVTUWLBPI-VIFPVBQESA-N 0 1 212.289 2.130 10 0 BEAEMN CN1CCN(c2nccc3sccc32)CC1 ZINC000059854303 342873443 /nfs/dbraw/zinc/87/34/43/342873443.db2.gz QRJDUMNXKQGUOC-UHFFFAOYSA-N 0 1 233.340 2.048 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000134828664 342895805 /nfs/dbraw/zinc/89/58/05/342895805.db2.gz QDPWJZWIAVRMET-MXWKQRLJSA-N 0 1 211.305 2.114 10 0 BEAEMN Nc1nc2ccccc2n1C1CCC(O)CC1 ZINC000020586100 342991663 /nfs/dbraw/zinc/99/16/63/342991663.db2.gz IKSPUIKLPBJONA-UHFFFAOYSA-N 0 1 231.299 2.095 10 0 BEAEMN CC[C@@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000020245917 342978544 /nfs/dbraw/zinc/97/85/44/342978544.db2.gz YPMHTNHRAXWCLF-LLVKDONJSA-N 0 1 230.315 2.155 10 0 BEAEMN CCC[C@@]1(C)CNC[C@H](C(F)(F)F)O1 ZINC000230704041 346915734 /nfs/dbraw/zinc/91/57/34/346915734.db2.gz WQTCGIHCVFJRSK-SFYZADRCSA-N 0 1 211.227 2.096 10 0 BEAEMN COc1ccc([C@@H]2CNCC2(F)F)cc1 ZINC000584880015 343080448 /nfs/dbraw/zinc/08/04/48/343080448.db2.gz XJNQBKHEAAYCMX-JTQLQIEISA-N 0 1 213.227 2.017 10 0 BEAEMN CNc1c(N)cnc2c(C)ccc(Cl)c21 ZINC000584882550 343085028 /nfs/dbraw/zinc/08/50/28/343085028.db2.gz KINCIKGCRRKWOX-UHFFFAOYSA-N 0 1 221.691 2.242 10 0 BEAEMN C[C@H]1C[N@@H+](CCCCCC(=O)[O-])CCS1 ZINC000123554388 343162832 /nfs/dbraw/zinc/16/28/32/343162832.db2.gz MJGAJIXOXPRFED-JTQLQIEISA-N 0 1 231.361 2.069 10 0 BEAEMN CCc1cc(C2=CCCN(C)C2)nn1CC ZINC000036449085 343318985 /nfs/dbraw/zinc/31/89/85/343318985.db2.gz CJBNJBLWWPKRBK-UHFFFAOYSA-N 0 1 219.332 2.184 10 0 BEAEMN C[C@@H](N[C@@H](C)C(N)=O)c1ccc(F)c(Cl)c1 ZINC000035792876 343304467 /nfs/dbraw/zinc/30/44/67/343304467.db2.gz COPKRBMZZPNQJM-RQJHMYQMSA-N 0 1 244.697 2.004 10 0 BEAEMN CCCC1OC(c2ccccc2)=NC1=O ZINC000139352733 343308857 /nfs/dbraw/zinc/30/88/57/343308857.db2.gz GBPGUHKFEYNKMQ-SNVBAGLBSA-N 0 1 203.241 2.159 10 0 BEAEMN COc1cc(-c2nnc[nH]2)cc(C(F)(F)F)c1 ZINC000205189710 343619094 /nfs/dbraw/zinc/61/90/94/343619094.db2.gz RZNOQMNFMSUNQJ-UHFFFAOYSA-N 0 1 243.188 2.499 10 0 BEAEMN c1cc2c(s1)[C@H](c1cncs1)NCC2 ZINC000712526258 537789815 /nfs/dbraw/zinc/78/98/15/537789815.db2.gz IZIHSYQXRAYMQM-VIFPVBQESA-N 0 1 222.338 2.440 10 0 BEAEMN c1csc(-c2n[nH]c(CC3CC3)n2)c1 ZINC000054700103 343697642 /nfs/dbraw/zinc/69/76/42/343697642.db2.gz LTLZTHNXGZRZFV-UHFFFAOYSA-N 0 1 205.286 2.486 10 0 BEAEMN c1csc(-c2nc(CC3CC3)n[nH]2)c1 ZINC000054700103 343697643 /nfs/dbraw/zinc/69/76/43/343697643.db2.gz LTLZTHNXGZRZFV-UHFFFAOYSA-N 0 1 205.286 2.486 10 0 BEAEMN C[C@@H]1CCCN(c2cc(N)nc(C3CC3)n2)C1 ZINC000126864132 343786879 /nfs/dbraw/zinc/78/68/79/343786879.db2.gz WEVQFEPIPKRNNV-SECBINFHSA-N 0 1 232.331 2.173 10 0 BEAEMN CC(C(=O)C(F)(F)F)=C(O)C1CCC1 ZINC000323918262 537814778 /nfs/dbraw/zinc/81/47/78/537814778.db2.gz ZKOGSLMLDYQATG-YFKPBYRVSA-N 0 1 208.179 2.123 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000409427155 343800121 /nfs/dbraw/zinc/80/01/21/343800121.db2.gz HREFKYSMHFBDLD-VXGBXAGGSA-N 0 1 234.299 2.082 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC000409423177 343814938 /nfs/dbraw/zinc/81/49/38/343814938.db2.gz LUDRXVPRPNOXEU-YVNMAJEFSA-N 0 1 229.295 2.064 10 0 BEAEMN C[C@](Cc1ccccc1)(C(=N)NO)n1cccc1 ZINC000409439746 343848450 /nfs/dbraw/zinc/84/84/50/343848450.db2.gz IEAAYRBIUTXEQE-AWEZNQCLSA-N 0 1 243.310 2.402 10 0 BEAEMN CC(C)c1n[nH]c(C(F)(F)F)c1CCO ZINC000409441676 343860866 /nfs/dbraw/zinc/86/08/66/343860866.db2.gz ZHMWWNIISZGCSO-UHFFFAOYSA-N 0 1 222.210 2.087 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@H+]1CCCCC[C@@H]1C ZINC000069945232 343944451 /nfs/dbraw/zinc/94/44/51/343944451.db2.gz IBQROBJUBKYELI-QWRGUYRKSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(=O)c1cc(O)c(F)c(Br)c1 ZINC000216865159 343919491 /nfs/dbraw/zinc/91/94/91/343919491.db2.gz LAJTYWPEHUBLPF-UHFFFAOYSA-N 0 1 233.036 2.496 10 0 BEAEMN CN[C@H](C)C(=O)c1c(C)cc(C)cc1F ZINC000234435801 343967238 /nfs/dbraw/zinc/96/72/38/343967238.db2.gz GXWZPEDFFMEIIT-SECBINFHSA-N 0 1 209.264 2.233 10 0 BEAEMN Cc1cc(Cl)cc([C@@H]2COCCN2)c1 ZINC000215597549 349900875 /nfs/dbraw/zinc/90/08/75/349900875.db2.gz VDSKRLHDDJSPMY-NSHDSACASA-N 0 1 211.692 2.309 10 0 BEAEMN C[C@@H](C[N@@H+](C)C[C@@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536785 344518654 /nfs/dbraw/zinc/51/86/54/344518654.db2.gz QUURYKHPWPTLCP-UWVGGRQHSA-N 0 1 249.301 2.464 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000044621950 344544546 /nfs/dbraw/zinc/54/45/46/344544546.db2.gz MTCJLYAPMGAVHA-LBPRGKRZSA-N 0 1 221.300 2.024 10 0 BEAEMN C[C@@H]1C[C@](O)(c2ccc(Cl)s2)C[N@H+]1C ZINC000127473816 344545275 /nfs/dbraw/zinc/54/52/75/344545275.db2.gz DBCWRBNEPSGTCV-GMSGAONNSA-N 0 1 231.748 2.313 10 0 BEAEMN C[C@@H]1C[C@](O)(c2ccc(Cl)s2)CN1C ZINC000127473816 344545278 /nfs/dbraw/zinc/54/52/78/344545278.db2.gz DBCWRBNEPSGTCV-GMSGAONNSA-N 0 1 231.748 2.313 10 0 BEAEMN CC[N@H+]1CC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000221342932 344734083 /nfs/dbraw/zinc/73/40/83/344734083.db2.gz BBVKLMILJHBUHF-GFCCVEGCSA-N 0 1 219.284 2.194 10 0 BEAEMN NNc1nc2c(s1)CCc1sccc1-2 ZINC000061327637 344912511 /nfs/dbraw/zinc/91/25/11/344912511.db2.gz MNRJYXZYWLFSKG-UHFFFAOYSA-N 0 1 223.326 2.256 10 0 BEAEMN C[C@H](N)c1nc(-c2ccccn2)cs1 ZINC000011887247 345053356 /nfs/dbraw/zinc/05/33/56/345053356.db2.gz LNJIDLSPRJKYHG-ZETCQYMHSA-N 0 1 205.286 2.225 10 0 BEAEMN O=c1o[nH]c(C2CC2)c1Br ZINC000157386469 345257989 /nfs/dbraw/zinc/25/79/89/345257989.db2.gz HOIJCHVNHWPGAH-UHFFFAOYSA-N 0 1 204.023 2.020 10 0 BEAEMN C[C@H](c1ccco1)[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251248913 345491371 /nfs/dbraw/zinc/49/13/71/345491371.db2.gz IICQAJHHVLYTTL-ZJUUUORDSA-N 0 1 223.272 2.280 10 0 BEAEMN CC(=O)c1nn(C2CCCCC2)cc1O ZINC000115332565 537903233 /nfs/dbraw/zinc/90/32/33/537903233.db2.gz KUKDEWNJMSERIQ-UHFFFAOYSA-N 0 1 208.261 2.297 10 0 BEAEMN C[C@@H](Sc1ncc(O)c(=O)[nH]1)c1ccccc1 ZINC000206349260 345757984 /nfs/dbraw/zinc/75/79/84/345757984.db2.gz WSESDAQWBWEVGB-MRVPVSSYSA-N 0 1 248.307 2.329 10 0 BEAEMN C[C@@H]1Cc2nc[nH]c2[C@@H](c2ccccc2)N1 ZINC000034217286 345819430 /nfs/dbraw/zinc/81/94/30/345819430.db2.gz HPBPDFQEUXPCQU-BXKDBHETSA-N 0 1 213.284 2.033 10 0 BEAEMN O=C(c1ccccc1)[C@H]1CC2CCN1CC2 ZINC000136887158 345825247 /nfs/dbraw/zinc/82/52/47/345825247.db2.gz DNDSUVVGUXQWAH-CYBMUJFWSA-N 0 1 215.296 2.354 10 0 BEAEMN Cc1cccc2c1CCN[C@@H]2C[NH+]1CCCC1 ZINC000034426619 345832664 /nfs/dbraw/zinc/83/26/64/345832664.db2.gz FUIUUKVILHNGAG-OAHLLOKOSA-N 0 1 230.355 2.278 10 0 BEAEMN C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790546 345938292 /nfs/dbraw/zinc/93/82/92/345938292.db2.gz QMNJMLCCYQHCSA-AAEUAGOBSA-N 0 1 233.311 2.024 10 0 BEAEMN CCN(CC)c1cc(NC)nc(C2CC2)n1 ZINC000087908878 345940384 /nfs/dbraw/zinc/94/03/84/345940384.db2.gz YBXQJIBKLAPJMA-UHFFFAOYSA-N 0 1 220.320 2.242 10 0 BEAEMN Nc1cncc(Br)c1NC1CCC1 ZINC000236371566 346231669 /nfs/dbraw/zinc/23/16/69/346231669.db2.gz WOZLCJQVFNPLNO-UHFFFAOYSA-N 0 1 242.120 2.391 10 0 BEAEMN C[C@@H]1C[C@@H](C)CN(Cc2nc(CO)cs2)C1 ZINC000669379426 537978968 /nfs/dbraw/zinc/97/89/68/537978968.db2.gz ATZNRXVQGXCCER-NXEZZACHSA-N 0 1 240.372 2.113 10 0 BEAEMN CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1O ZINC000229837204 346468750 /nfs/dbraw/zinc/46/87/50/346468750.db2.gz PQRVAWUIQXVUHR-OCCSQVGLSA-N 0 1 237.318 2.419 10 0 BEAEMN CC1=NC(=S)N(C2(C)CCOCC2)C1 ZINC000229916402 346476868 /nfs/dbraw/zinc/47/68/68/346476868.db2.gz UKKNJJYCLHKXBE-UHFFFAOYSA-N 0 1 212.318 2.006 10 0 BEAEMN Cc1nc(CN)sc1-c1cc(C2CC2)no1 ZINC000669379601 537980541 /nfs/dbraw/zinc/98/05/41/537980541.db2.gz GNNCLUIGMPAQRA-UHFFFAOYSA-N 0 1 235.312 2.443 10 0 BEAEMN CC1CCC([C@H](N)c2cnns2)CC1 ZINC000163422961 346560125 /nfs/dbraw/zinc/56/01/25/346560125.db2.gz AZHYQVZIKFDCNT-KTOWXAHTSA-N 0 1 211.334 2.364 10 0 BEAEMN Cc1cccc(N(C)Cc2cc(CN)no2)c1 ZINC000052518042 179117884 /nfs/dbraw/zinc/11/78/84/179117884.db2.gz XHVFKYPNHHZUOJ-UHFFFAOYSA-N 0 1 231.299 2.078 10 0 BEAEMN CCCC[N@@H+](C)C1CCC(C(=O)[O-])CC1 ZINC000108275737 346667902 /nfs/dbraw/zinc/66/79/02/346667902.db2.gz NBTDWVZGBNXDQZ-UHFFFAOYSA-N 0 1 213.321 2.362 10 0 BEAEMN CCCc1nc([C@]2(C)CCCS2)n[nH]1 ZINC000164761025 346623714 /nfs/dbraw/zinc/62/37/14/346623714.db2.gz YHVDPUZTVJVADC-JTQLQIEISA-N 0 1 211.334 2.499 10 0 BEAEMN CCCc1cc2nc(C(F)(F)F)nn2c(O)c1 ZINC000725242991 537988291 /nfs/dbraw/zinc/98/82/91/537988291.db2.gz DZIMTBCFCBOEOD-UHFFFAOYSA-N 0 1 245.204 2.406 10 0 BEAEMN CC1(C)CCC[C@@H]1[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000251116625 362838337 /nfs/dbraw/zinc/83/83/37/362838337.db2.gz DISZRVCQDGQFCO-UWVGGRQHSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1ccccc1-c1nc([C@H](C)N)no1 ZINC000041052264 179237957 /nfs/dbraw/zinc/23/79/57/179237957.db2.gz YOURBXWFUJPVEB-QMMMGPOBSA-N 0 1 203.245 2.065 10 0 BEAEMN CNCc1csc([C@@H]2CC[C@H](C)O2)n1 ZINC000149939806 347570536 /nfs/dbraw/zinc/57/05/36/347570536.db2.gz WRJISYHYEIFNPA-CBAPKCEASA-N 0 1 212.318 2.103 10 0 BEAEMN Cc1ccccc1C[C@@H](N)c1ncccn1 ZINC000037467248 179290237 /nfs/dbraw/zinc/29/02/37/179290237.db2.gz AMSFNCOPEKBOQC-GFCCVEGCSA-N 0 1 213.284 2.028 10 0 BEAEMN Cc1ccccc1Cc1nnc([C@H](C)N)s1 ZINC000083333075 179293343 /nfs/dbraw/zinc/29/33/43/179293343.db2.gz HTMRYMMDHKROJM-VIFPVBQESA-N 0 1 233.340 2.457 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251383512 362868557 /nfs/dbraw/zinc/86/85/57/362868557.db2.gz ZVMYNBFPOVDGBB-MNOVXSKESA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H]1C[C@@]2(CS1)NCC[C@H](C)S2 ZINC000251679705 362897326 /nfs/dbraw/zinc/89/73/26/362897326.db2.gz MHVFYYARFOZKRK-DJLDLDEBSA-N 0 1 203.376 2.323 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@H]1CCCCC1(C)C ZINC000251565906 362887467 /nfs/dbraw/zinc/88/74/67/362887467.db2.gz SITHFRINUCGZNC-ZJUUUORDSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000251577367 362888269 /nfs/dbraw/zinc/88/82/69/362888269.db2.gz WQTTYSGVNXBPEG-UWVGGRQHSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H](C1CC1)[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251586971 362888343 /nfs/dbraw/zinc/88/83/43/362888343.db2.gz NZLOHCRJOAQWGC-ONGXEEELSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)c1nnc(-c2ccccc2O)[nH]1 ZINC000053994979 187395784 /nfs/dbraw/zinc/39/57/84/187395784.db2.gz XQNAGCPNJKCTKB-UHFFFAOYSA-N 0 1 203.245 2.301 10 0 BEAEMN Cc1ccnc(NCCSCC(C)(C)O)c1 ZINC000301664691 179445992 /nfs/dbraw/zinc/44/59/92/179445992.db2.gz VZUWJWBBEFLNFG-UHFFFAOYSA-N 0 1 240.372 2.306 10 0 BEAEMN CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2=O ZINC000206599248 348655236 /nfs/dbraw/zinc/65/52/36/348655236.db2.gz TWMONWHWHWPJFW-RWMBFGLXSA-N 0 1 215.296 2.206 10 0 BEAEMN CC(C)(C)c1nnc([C@H](N)C(C)(C)C)[nH]1 ZINC000616573620 349072459 /nfs/dbraw/zinc/07/24/59/349072459.db2.gz IFRBIZZBMGXKDK-ZETCQYMHSA-N 0 1 210.325 2.148 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])CC[N@H+]2C1 ZINC000725254186 538043798 /nfs/dbraw/zinc/04/37/98/538043798.db2.gz RGQCBUKICDKOIP-MXWKQRLJSA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1nnc(NC(=O)C[C@H](C)C(C)(C)C)[nH]1 ZINC000108810236 180006344 /nfs/dbraw/zinc/00/63/44/180006344.db2.gz KVDFFFNAEGOPGC-ZETCQYMHSA-N 0 1 224.308 2.124 10 0 BEAEMN Cc1nc([C@H](N)CCc2ccccc2)no1 ZINC000061625801 180052699 /nfs/dbraw/zinc/05/26/99/180052699.db2.gz AMBRZCOQELEVTD-LLVKDONJSA-N 0 1 217.272 2.011 10 0 BEAEMN Cc1nc2c(C)cc(Br)cn2c1N ZINC000036244304 180064224 /nfs/dbraw/zinc/06/42/24/180064224.db2.gz MKBAONBEPYDQJZ-UHFFFAOYSA-N 0 1 240.104 2.296 10 0 BEAEMN Cc1ncc(CNCc2ccc[nH]2)s1 ZINC000051789514 180155459 /nfs/dbraw/zinc/15/54/59/180155459.db2.gz RSWZIELHJIMDQN-UHFFFAOYSA-N 0 1 207.302 2.069 10 0 BEAEMN Cc1[nH+]ccn1CCCCCCC(=O)[O-] ZINC000040466743 180234237 /nfs/dbraw/zinc/23/42/37/180234237.db2.gz NHXRTOCBYSJJSN-UHFFFAOYSA-N 0 1 210.277 2.227 10 0 BEAEMN CC[C@@H](C)[NH2+]c1ccc(N)c(C(=O)[O-])c1 ZINC000037930160 350291984 /nfs/dbraw/zinc/29/19/84/350291984.db2.gz ZIAPIXZZZBIAFF-SSDOTTSWSA-N 0 1 208.261 2.177 10 0 BEAEMN Cc1ncsc1CCN1C[C@@H](C)O[C@H](C)C1 ZINC000074327537 180309388 /nfs/dbraw/zinc/30/93/88/180309388.db2.gz BSYGMYOIJNVOAV-NXEZZACHSA-N 0 1 240.372 2.103 10 0 BEAEMN Oc1cc(F)cc2[nH]nc(Br)c21 ZINC000014984160 350439271 /nfs/dbraw/zinc/43/92/71/350439271.db2.gz GZRQIVHBLDXMLD-UHFFFAOYSA-N 0 1 231.024 2.170 10 0 BEAEMN C[C@@H]1CN([C@H]2CCCCC2=O)C[C@@H](C)S1 ZINC000226672465 350447090 /nfs/dbraw/zinc/44/70/90/350447090.db2.gz ADQRJWPNYLXASP-MXWKQRLJSA-N 0 1 227.373 2.324 10 0 BEAEMN N[C@H]1c2ccccc2OCc2ncccc21 ZINC000034078189 350463870 /nfs/dbraw/zinc/46/38/70/350463870.db2.gz JNMWVKAEZFXVBQ-CYBMUJFWSA-N 0 1 212.252 2.022 10 0 BEAEMN Cc1nnc(CNC(C)C)n1C1CCCC1 ZINC000042038764 180412412 /nfs/dbraw/zinc/41/24/12/180412412.db2.gz OBWNEJCNKIYRQA-UHFFFAOYSA-N 0 1 222.336 2.200 10 0 BEAEMN CN1CCO[C@@H](c2ccccc2F)CC1 ZINC000616594104 350593110 /nfs/dbraw/zinc/59/31/10/350593110.db2.gz OHXFXMZZECTCJX-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CC(C)(C)N1CCCOC[C@H]1c1cccnn1 ZINC000616597051 350636206 /nfs/dbraw/zinc/63/62/06/350636206.db2.gz LSBJGBZHUMZPJI-LBPRGKRZSA-N 0 1 235.331 2.039 10 0 BEAEMN CNc1ccc([C@H]2COCCC[N@H+]2C)cc1 ZINC000616600026 350779472 /nfs/dbraw/zinc/77/94/72/350779472.db2.gz XYYRCWOYDYYGQV-CYBMUJFWSA-N 0 1 220.316 2.122 10 0 BEAEMN COc1nc2cccc(Br)c2[nH]1 ZINC000306711015 350871425 /nfs/dbraw/zinc/87/14/25/350871425.db2.gz XAJBRZLYANPBNF-UHFFFAOYSA-N 0 1 227.061 2.334 10 0 BEAEMN Nc1cc(Cl)cc(CN2CC=CC2)c1 ZINC000306724352 350892807 /nfs/dbraw/zinc/89/28/07/350892807.db2.gz IOOVCPBTVLGYRQ-UHFFFAOYSA-N 0 1 208.692 2.294 10 0 BEAEMN CC(C)(C)N1CCOC[C@@H]1c1cccc(CO)c1 ZINC000616636196 351124103 /nfs/dbraw/zinc/12/41/03/351124103.db2.gz BMIYOIJZNXTOMG-CQSZACIVSA-N 0 1 249.354 2.351 10 0 BEAEMN CCOC(=O)N1CCCCC[C@@H]1c1cnc[nH]1 ZINC000616624014 351090965 /nfs/dbraw/zinc/09/09/65/351090965.db2.gz UMWLUJYDZNSVIN-LLVKDONJSA-N 0 1 237.303 2.483 10 0 BEAEMN CC(C)N1CCOC[C@H]1c1ccccc1N ZINC000616642093 351151221 /nfs/dbraw/zinc/15/12/21/351151221.db2.gz VBGDVOOQYMTOHG-ZDUSSCGKSA-N 0 1 220.316 2.051 10 0 BEAEMN CC(C)(C)N1CCO[C@H](c2ccccc2N)C1 ZINC000616646453 351171105 /nfs/dbraw/zinc/17/11/05/351171105.db2.gz GYWASAJUDZUYFJ-ZDUSSCGKSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)(C)N1CCO[C@H](c2ccccc2CO)C1 ZINC000616646576 351171129 /nfs/dbraw/zinc/17/11/29/351171129.db2.gz JFTXVHSIOKDODH-AWEZNQCLSA-N 0 1 249.354 2.351 10 0 BEAEMN CN1CCCO[C@H](c2ccccc2F)C1 ZINC000616653131 351187121 /nfs/dbraw/zinc/18/71/21/351187121.db2.gz XXOVRHYXZJQBMN-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CC(C)N1c2ccccc2CC[C@H]1c1nn[nH]n1 ZINC000616669591 351229527 /nfs/dbraw/zinc/22/95/27/351229527.db2.gz KJYWDTWBZHNSKP-LBPRGKRZSA-N 0 1 243.314 2.102 10 0 BEAEMN Cc1ccc(N)c(N[C@H](C)C(F)F)n1 ZINC000306860712 351236549 /nfs/dbraw/zinc/23/65/49/351236549.db2.gz FAWGJPYQBKTYGS-ZCFIWIBFSA-N 0 1 201.220 2.038 10 0 BEAEMN CC(C)N1c2ccccc2NC[C@H]1c1c[nH]nn1 ZINC000616683362 351254172 /nfs/dbraw/zinc/25/41/72/351254172.db2.gz NXBNNTKYPCDCRV-ZDUSSCGKSA-N 0 1 243.314 2.186 10 0 BEAEMN CC(C)(C)N1CCO[C@H](OC(F)(F)F)CC1 ZINC000616686450 351256696 /nfs/dbraw/zinc/25/66/96/351256696.db2.gz KVVJPGUDYVFUGK-MRVPVSSYSA-N 0 1 241.253 2.370 10 0 BEAEMN CN1CCOCC[C@H]1c1cc2ccccc2nn1 ZINC000616656350 351202588 /nfs/dbraw/zinc/20/25/88/351202588.db2.gz GDENRAFZCGWLBR-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN CN1CCOC[C@H](c2ccccc2Cl)C1 ZINC000616658960 351205366 /nfs/dbraw/zinc/20/53/66/351205366.db2.gz MGWYTXZOGSFDHE-SNVBAGLBSA-N 0 1 225.719 2.386 10 0 BEAEMN C[C@@H](N)C(=O)c1ccc(Cl)cc1F ZINC000167997871 351225507 /nfs/dbraw/zinc/22/55/07/351225507.db2.gz VLCPITWHECSJAB-RXMQYKEDSA-N 0 1 201.628 2.009 10 0 BEAEMN C[C@H](N)C(=O)c1ccc(Cl)cc1F ZINC000167997780 351225820 /nfs/dbraw/zinc/22/58/20/351225820.db2.gz VLCPITWHECSJAB-YFKPBYRVSA-N 0 1 201.628 2.009 10 0 BEAEMN O=Cc1nc2c([nH]1)-c1ccsc1CC2 ZINC000068945687 351301003 /nfs/dbraw/zinc/30/10/03/351301003.db2.gz CRUPMRKPCLBAAU-UHFFFAOYSA-N 0 1 204.254 2.049 10 0 BEAEMN Cc1ccc(C(=O)C(C)(C)N)c(F)c1F ZINC000231740684 351279268 /nfs/dbraw/zinc/27/92/68/351279268.db2.gz GGPPXLYSQUXELO-UHFFFAOYSA-N 0 1 213.227 2.193 10 0 BEAEMN CC1(C)Cc2nc(C=O)[nH]c2C(C)(C)C1 ZINC000168313130 351375858 /nfs/dbraw/zinc/37/58/58/351375858.db2.gz NFWLPWJZXHKXSV-UHFFFAOYSA-N 0 1 206.289 2.472 10 0 BEAEMN N[C@@H](c1cn[nH]c1)c1sccc1Cl ZINC000307056909 351455951 /nfs/dbraw/zinc/45/59/51/351455951.db2.gz DOVFDHMAQATGTJ-ZETCQYMHSA-N 0 1 213.693 2.173 10 0 BEAEMN CC1(C)CC[C@H]1[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000306998588 351412498 /nfs/dbraw/zinc/41/24/98/351412498.db2.gz YJTZGUKOWAFCMG-VHSXEESVSA-N 0 1 211.305 2.114 10 0 BEAEMN CCC[C@@H](C(=O)Nc1ncc(C)s1)N(C)C ZINC000161659787 323555058 /nfs/dbraw/zinc/55/50/58/323555058.db2.gz UWBDTEAMSCZGEL-VIFPVBQESA-N 0 1 241.360 2.120 10 0 BEAEMN CC(C)n1cnc([C@@H]2CCSC2)c1N ZINC000224660767 363113003 /nfs/dbraw/zinc/11/30/03/363113003.db2.gz ZQFQKAKZCGKNKL-MRVPVSSYSA-N 0 1 211.334 2.267 10 0 BEAEMN N[C@@H](c1coc(Br)c1)c1ccc[nH]1 ZINC000307374492 352473679 /nfs/dbraw/zinc/47/36/79/352473679.db2.gz UDGIITCNRFHKMZ-VIFPVBQESA-N 0 1 241.088 2.418 10 0 BEAEMN Cc1nc(C)c([C@H]2N[C@H](C)CS2)s1 ZINC000307444257 352597275 /nfs/dbraw/zinc/59/72/75/352597275.db2.gz UROXZLCLRHYNGS-ANLVUFKYSA-N 0 1 214.359 2.483 10 0 BEAEMN C[C@H]1/C(=C/C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000307538995 352643475 /nfs/dbraw/zinc/64/34/75/352643475.db2.gz PVXBEGUDSPVQEG-GJSJWPQCSA-N 0 1 231.295 2.292 10 0 BEAEMN CCn1cnc([C@@H]2CCCSC2)c1N ZINC000307540193 352644005 /nfs/dbraw/zinc/64/40/05/352644005.db2.gz VRLLVFYRLZLEPT-MRVPVSSYSA-N 0 1 211.334 2.096 10 0 BEAEMN C[C@H](NC1=N[C@@H](C)CCS1)C(F)F ZINC000307540701 352644420 /nfs/dbraw/zinc/64/44/20/352644420.db2.gz AFEPBVUNJKERBY-WDSKDSINSA-N 0 1 208.277 2.111 10 0 BEAEMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1cccs1 ZINC000133915774 352668451 /nfs/dbraw/zinc/66/84/51/352668451.db2.gz VSFBHOMWAWDIKF-WPRPVWTQSA-N 0 1 225.313 2.358 10 0 BEAEMN C[C@@H]1C[C@H](C)N(Cc2ccnc(Cl)n2)C1 ZINC000307628400 352708883 /nfs/dbraw/zinc/70/88/83/352708883.db2.gz UAUDBAJWKQTXHR-BDAKNGLRSA-N 0 1 225.723 2.360 10 0 BEAEMN C[C@@H]1C[C@@H](C)N(Cc2ccnc(Cl)n2)C1 ZINC000307628403 352709023 /nfs/dbraw/zinc/70/90/23/352709023.db2.gz UAUDBAJWKQTXHR-RKDXNWHRSA-N 0 1 225.723 2.360 10 0 BEAEMN Brc1occc1CNC1CC1 ZINC000232475050 352741813 /nfs/dbraw/zinc/74/18/13/352741813.db2.gz DEXOPFKUIVHPGY-UHFFFAOYSA-N 0 1 216.078 2.294 10 0 BEAEMN COC(=O)c1cc(F)cc(O)c1Br ZINC000306635568 353030811 /nfs/dbraw/zinc/03/08/11/353030811.db2.gz DBEFCXFOQLCIHL-UHFFFAOYSA-N 0 1 249.035 2.080 10 0 BEAEMN CC(C)C[C@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000037514563 188114015 /nfs/dbraw/zinc/11/40/15/188114015.db2.gz JAEDZGYLIUUQLI-OAHLLOKOSA-N 0 1 246.354 2.165 10 0 BEAEMN Cc1cccc(C(=O)[C@@H](C)NC2CC2)c1 ZINC000077297536 188116983 /nfs/dbraw/zinc/11/69/83/188116983.db2.gz UCHCDHARRTZRQA-SNVBAGLBSA-N 0 1 203.285 2.318 10 0 BEAEMN CC(C)(N)c1noc(-c2ccccc2F)n1 ZINC000041052849 188117752 /nfs/dbraw/zinc/11/77/52/188117752.db2.gz DKKWSEBLZOOSJV-UHFFFAOYSA-N 0 1 221.235 2.070 10 0 BEAEMN CC(C)C[C@@H](N)C(=O)Cc1ccccc1F ZINC000082362494 188119374 /nfs/dbraw/zinc/11/93/74/188119374.db2.gz VOHGTXXVSUTDAZ-GFCCVEGCSA-N 0 1 223.291 2.311 10 0 BEAEMN CC(C)[C@H]([NH2+]c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000057527888 188127856 /nfs/dbraw/zinc/12/78/56/188127856.db2.gz KDDGTZOLCIPBJZ-LBPRGKRZSA-N 0 1 236.315 2.274 10 0 BEAEMN FC(F)c1ccc(CNC2COC2)cc1 ZINC000124599979 188189519 /nfs/dbraw/zinc/18/95/19/188189519.db2.gz YXLBRDJUCQJYDH-UHFFFAOYSA-N 0 1 213.227 2.113 10 0 BEAEMN C[C@@H]1CCC[N@@H+](CC(C)(C)C(=O)[O-])[C@H]1C ZINC000252196676 363211607 /nfs/dbraw/zinc/21/16/07/363211607.db2.gz SMQAVAQBLDCVMZ-ZJUUUORDSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1nnc([C@@H](C)N2CC3(CCC3)C[C@H]2C)[nH]1 ZINC000334645875 354435855 /nfs/dbraw/zinc/43/58/55/354435855.db2.gz PQMYGWOJJRBDTF-NXEZZACHSA-N 0 1 234.347 2.439 10 0 BEAEMN N=C(Nc1ccccc1)n1nnc2ccccc21 ZINC000005331805 181200052 /nfs/dbraw/zinc/20/00/52/181200052.db2.gz UNTIJAVKYJWXEJ-UHFFFAOYSA-N 0 1 237.266 2.326 10 0 BEAEMN CCCC[C@H](C(=O)OC)N1C[C@@H]2CCC[C@H]21 ZINC000350705138 355744718 /nfs/dbraw/zinc/74/47/18/355744718.db2.gz YXPKJYBHVINBNT-QJPTWQEYSA-N 0 1 225.332 2.203 10 0 BEAEMN CCCC[C@H](C(=O)OC)N1C[C@H]2CCC[C@H]21 ZINC000350705137 355744783 /nfs/dbraw/zinc/74/47/83/355744783.db2.gz YXPKJYBHVINBNT-IJLUTSLNSA-N 0 1 225.332 2.203 10 0 BEAEMN N[C@@H](C1=CCCO1)c1ccncc1Cl ZINC000168449528 355830548 /nfs/dbraw/zinc/83/05/48/355830548.db2.gz QBXRHQXJIPOFAW-SNVBAGLBSA-N 0 1 210.664 2.039 10 0 BEAEMN C[C@@H]1CNC[C@H](c2ccc(Cl)s2)O1 ZINC000035286465 356474735 /nfs/dbraw/zinc/47/47/35/356474735.db2.gz SHDWLCJZQZRVPB-RNFRBKRXSA-N 0 1 217.721 2.451 10 0 BEAEMN COc1nscc1[C@@H]1CCC[C@H](C)N1 ZINC000675059513 538484452 /nfs/dbraw/zinc/48/44/52/538484452.db2.gz QRSKRXJRXVHEOK-CBAPKCEASA-N 0 1 212.318 2.355 10 0 BEAEMN CC(C)(C)[C@H](N)c1nnc(C2CCC2)[nH]1 ZINC000675060980 538487037 /nfs/dbraw/zinc/48/70/37/538487037.db2.gz UFMGKAUKENZUBS-MRVPVSSYSA-N 0 1 208.309 2.118 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000675061332 538488133 /nfs/dbraw/zinc/48/81/33/538488133.db2.gz ZERXVSHVLKLRSC-BFHYXJOUSA-N 0 1 245.322 2.229 10 0 BEAEMN Cc1cn2c(n1)[C@@H](c1ccccc1)NCCC2 ZINC000675068696 538497030 /nfs/dbraw/zinc/49/70/30/538497030.db2.gz RUQNBBJUCBFONX-CYBMUJFWSA-N 0 1 227.311 2.274 10 0 BEAEMN Cc1cc([C@H](N)c2ccccn2)cs1 ZINC000083450955 538500507 /nfs/dbraw/zinc/50/05/07/538500507.db2.gz QIENKIYLPZKICD-NSHDSACASA-N 0 1 204.298 2.500 10 0 BEAEMN CCC(CC)NCc1c(OC)nsc1OC ZINC000675076151 538510117 /nfs/dbraw/zinc/51/01/17/538510117.db2.gz ZQZZRWHFOOOOKH-UHFFFAOYSA-N 0 1 244.360 2.439 10 0 BEAEMN c1coc(CNC[C@@H]2COc3ccccc3O2)c1 ZINC000020137712 356998450 /nfs/dbraw/zinc/99/84/50/356998450.db2.gz IAJZNWNSVDETPX-GFCCVEGCSA-N 0 1 245.278 2.209 10 0 BEAEMN CC(C)(N)C(=O)c1sccc1Br ZINC000168665920 356991893 /nfs/dbraw/zinc/99/18/93/356991893.db2.gz RITZSXDBRMKEIM-UHFFFAOYSA-N 0 1 248.145 2.431 10 0 BEAEMN Cc1n[nH]c(Sc2ccc(C=O)s2)n1 ZINC000160638715 357151934 /nfs/dbraw/zinc/15/19/34/357151934.db2.gz UBYVJRJNAZSNDS-UHFFFAOYSA-N 0 1 225.298 2.138 10 0 BEAEMN Cc1nc(Sc2ccc(C=O)s2)n[nH]1 ZINC000160638715 357151937 /nfs/dbraw/zinc/15/19/37/357151937.db2.gz UBYVJRJNAZSNDS-UHFFFAOYSA-N 0 1 225.298 2.138 10 0 BEAEMN CC(C)[C@@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000189635153 357650572 /nfs/dbraw/zinc/65/05/72/357650572.db2.gz LUUWGFNQIRDBQQ-SNVBAGLBSA-N 0 1 249.358 2.453 10 0 BEAEMN CC(C)[N@@H+](C)C1CCC(C)(C(=O)[O-])CC1 ZINC000685947389 538889169 /nfs/dbraw/zinc/88/91/69/538889169.db2.gz MOYCKDVXRFROEQ-UHFFFAOYSA-N 0 1 213.321 2.360 10 0 BEAEMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000227467471 358357662 /nfs/dbraw/zinc/35/76/62/358357662.db2.gz BCBGCUBNNDPJAV-OLZOCXBDSA-N 0 1 245.322 2.123 10 0 BEAEMN CC(C)CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126337446 358549089 /nfs/dbraw/zinc/54/90/89/358549089.db2.gz UKZANPPFVLFVKZ-CQSZACIVSA-N 0 1 235.327 2.422 10 0 BEAEMN CC(C)[C@@H]1CCN(CC(=O)c2cccn2C)C1 ZINC000134982249 358813942 /nfs/dbraw/zinc/81/39/42/358813942.db2.gz FYMSSUOGPIYXAQ-GFCCVEGCSA-N 0 1 234.343 2.186 10 0 BEAEMN CC[C@@H]1CCCCC[N@H+]1Cc1nccc(N)n1 ZINC000135094614 358820072 /nfs/dbraw/zinc/82/00/72/358820072.db2.gz UTDKWAYZYCYNLD-LLVKDONJSA-N 0 1 234.347 2.213 10 0 BEAEMN COc1cccc(F)c1[C@H](C)N[C@H]1CCOC1 ZINC000135148518 358822458 /nfs/dbraw/zinc/82/24/58/358822458.db2.gz HEUNTEZMGIVPCE-UWVGGRQHSA-N 0 1 239.290 2.274 10 0 BEAEMN CN(CC1CCC1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134330790 358786781 /nfs/dbraw/zinc/78/67/81/358786781.db2.gz PBJQWUKWCINYMV-NSHDSACASA-N 0 1 247.342 2.088 10 0 BEAEMN COc1cccc(F)c1[C@@H](C)NCc1cnc[nH]1 ZINC000134774613 358805240 /nfs/dbraw/zinc/80/52/40/358805240.db2.gz BAIVKGDFSBJAOJ-SECBINFHSA-N 0 1 249.289 2.408 10 0 BEAEMN COc1ccc([C@@H](C)NCc2cnc[nH]2)cc1F ZINC000054764736 358872236 /nfs/dbraw/zinc/87/22/36/358872236.db2.gz ZJIPNBGOYXAFSZ-SECBINFHSA-N 0 1 249.289 2.408 10 0 BEAEMN c1cc(CN[C@H]2CCc3ccccc32)on1 ZINC000220155418 134300994 /nfs/dbraw/zinc/30/09/94/134300994.db2.gz JRLGVQPFKORIQG-ZDUSSCGKSA-N 0 1 214.268 2.452 10 0 BEAEMN CC1(NCc2ncccc2Br)CC1 ZINC000306159025 358955037 /nfs/dbraw/zinc/95/50/37/358955037.db2.gz KYUKHDYBIAAMLU-UHFFFAOYSA-N 0 1 241.132 2.486 10 0 BEAEMN C[C@@H]1C[C@](O)(c2ccsc2Cl)CN1C ZINC000306322760 359606960 /nfs/dbraw/zinc/60/69/60/359606960.db2.gz URDFQSJZHFXOLW-GMSGAONNSA-N 0 1 231.748 2.313 10 0 BEAEMN C[C@H]1C[C@](O)(c2ccsc2Cl)CN1C ZINC000306322761 359607010 /nfs/dbraw/zinc/60/70/10/359607010.db2.gz URDFQSJZHFXOLW-OIBJUYFYSA-N 0 1 231.748 2.313 10 0 BEAEMN NC1(C(=O)c2ccsc2Cl)CCC1 ZINC000306375319 359710068 /nfs/dbraw/zinc/71/00/68/359710068.db2.gz PVOXLBRCWZGHES-UHFFFAOYSA-N 0 1 215.705 2.466 10 0 BEAEMN CNC(C)(C)[C@H](F)C(F)(F)Br ZINC000306410991 359818593 /nfs/dbraw/zinc/81/85/93/359818593.db2.gz SSVGYULLTFBXPY-BYPYZUCNSA-N 0 1 234.059 2.310 10 0 BEAEMN O=C1CCC[C@H]1N1CCC(C(F)F)CC1 ZINC000306432185 359928828 /nfs/dbraw/zinc/92/88/28/359928828.db2.gz XXOXFRSRXJPOSZ-SECBINFHSA-N 0 1 217.259 2.085 10 0 BEAEMN C[C@H]1CCN(CC(=O)c2ccccc2)C1 ZINC000040718970 359914606 /nfs/dbraw/zinc/91/46/06/359914606.db2.gz YMNOHEURXLUYCY-NSHDSACASA-N 0 1 203.285 2.211 10 0 BEAEMN CN(Cc1cc[nH]c1)[C@H]1CCCc2c1cnn2C ZINC000093864130 360284624 /nfs/dbraw/zinc/28/46/24/360284624.db2.gz JMGJYYWPPAHTEC-ZDUSSCGKSA-N 0 1 244.342 2.258 10 0 BEAEMN CN(Cc1cc[nH]c1)[C@@H]1CCCc2c1cnn2C ZINC000093864129 360284723 /nfs/dbraw/zinc/28/47/23/360284723.db2.gz JMGJYYWPPAHTEC-CYBMUJFWSA-N 0 1 244.342 2.258 10 0 BEAEMN C[C@H]1CN(Cc2ccnc(Cl)n2)C[C@H]1C ZINC000306518786 360345449 /nfs/dbraw/zinc/34/54/49/360345449.db2.gz HNARMNRUJFLIMS-DTORHVGOSA-N 0 1 225.723 2.218 10 0 BEAEMN CC[C@H](C)Nc1ncc(Cl)c(=O)[nH]1 ZINC000306527273 360368671 /nfs/dbraw/zinc/36/86/71/360368671.db2.gz WWUGPNCWRKNYOG-YFKPBYRVSA-N 0 1 201.657 2.046 10 0 BEAEMN NC1(c2noc(CC(F)(F)F)n2)CCCCC1 ZINC000041153648 181336773 /nfs/dbraw/zinc/33/67/73/181336773.db2.gz ULOVRRVGWKTEBJ-UHFFFAOYSA-N 0 1 249.236 2.293 10 0 BEAEMN C[C@H](C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000036810284 361514575 /nfs/dbraw/zinc/51/45/75/361514575.db2.gz ZDMPFTKSZIQVIC-GRYCIOLGSA-N 0 1 225.332 2.219 10 0 BEAEMN NC1=NCC2(CCC(c3ccccc3)CC2)O1 ZINC000088532626 181339091 /nfs/dbraw/zinc/33/90/91/181339091.db2.gz GPEJZSAQFYIBEF-UHFFFAOYSA-N 0 1 230.311 2.428 10 0 BEAEMN Cc1nc(C)c([C@H]2NC[C@H](C)S2)s1 ZINC000306637893 361585651 /nfs/dbraw/zinc/58/56/51/361585651.db2.gz MQRGHSJUQWQQRV-CDUCUWFYSA-N 0 1 214.359 2.483 10 0 BEAEMN Clc1cccc(CNCc2cn[nH]c2)c1 ZINC000038005734 361638225 /nfs/dbraw/zinc/63/82/25/361638225.db2.gz OTMFMHLQZXIFAS-UHFFFAOYSA-N 0 1 221.691 2.353 10 0 BEAEMN Clc1ccc(CNCc2cn[nH]c2)s1 ZINC000038006028 361661188 /nfs/dbraw/zinc/66/11/88/361661188.db2.gz PUPDDWWUQGWWTD-UHFFFAOYSA-N 0 1 227.720 2.414 10 0 BEAEMN c1cn2c(n1)NCC[C@@H]2c1ccsc1 ZINC000232480483 541417749 /nfs/dbraw/zinc/41/77/49/541417749.db2.gz BNTJXDIZHVMUAE-SECBINFHSA-N 0 1 205.286 2.350 10 0 BEAEMN CCc1cn2c(n1)NCC[C@@H]2C(F)(F)F ZINC000234177598 541512290 /nfs/dbraw/zinc/51/22/90/541512290.db2.gz IUYWQFDSOFAZFN-SSDOTTSWSA-N 0 1 219.210 2.365 10 0 BEAEMN CC[N@@H+](Cc1nc(C(=O)[O-])co1)C1CCCC1 ZINC000386961321 368039765 /nfs/dbraw/zinc/03/97/65/368039765.db2.gz KFCCTHBTQIFUBU-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN CCCc1c(O)[nH]c2ccc(OC)cc2c1=O ZINC000038327624 368326686 /nfs/dbraw/zinc/32/66/86/368326686.db2.gz XCJHCJZAFNQBLX-UHFFFAOYSA-N 0 1 233.267 2.195 10 0 BEAEMN N=C1N[C@@H](c2ccc(Cl)c(Cl)c2)CO1 ZINC000083952635 368845393 /nfs/dbraw/zinc/84/53/93/368845393.db2.gz HGGPGNSCBBAGJN-MRVPVSSYSA-N 0 1 231.082 2.379 10 0 BEAEMN Nc1ccc2c(c1)CCN2c1ccncc1 ZINC000114607826 368944862 /nfs/dbraw/zinc/94/48/62/368944862.db2.gz DJKSFLXPKJKOJF-UHFFFAOYSA-N 0 1 211.268 2.358 10 0 BEAEMN O=C([O-])[C@H]1CCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000090978020 369002363 /nfs/dbraw/zinc/00/23/63/369002363.db2.gz BCBGCUBNNDPJAV-QWHCGFSZSA-N 0 1 245.322 2.123 10 0 BEAEMN C[C@@H](N)C(=O)c1cccc(C2CCC2)c1 ZINC000107193043 369334810 /nfs/dbraw/zinc/33/48/10/369334810.db2.gz WSPJWKYHUAKULG-SECBINFHSA-N 0 1 203.285 2.484 10 0 BEAEMN C[C@H](c1ccco1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396334 371660462 /nfs/dbraw/zinc/66/04/62/371660462.db2.gz IKQFBOLXUTZYBN-NXEZZACHSA-N 0 1 223.272 2.137 10 0 BEAEMN CN[C@H]1COc2c1c(Br)ccc2C ZINC000228358055 372018874 /nfs/dbraw/zinc/01/88/74/372018874.db2.gz DYRCJSGVKAMRCH-QMMMGPOBSA-N 0 1 242.116 2.410 10 0 BEAEMN CC(C)(C)c1nnsc1[C@H](N)C1CC1 ZINC000163615067 372020499 /nfs/dbraw/zinc/02/04/99/372020499.db2.gz YPIWLLVGKRUOBL-SSDOTTSWSA-N 0 1 211.334 2.245 10 0 BEAEMN CCCCN(c1nccnc1CN)[C@H](C)CC ZINC000054377914 168822110 /nfs/dbraw/zinc/82/21/10/168822110.db2.gz NTXROHGQHSFCFP-LLVKDONJSA-N 0 1 236.363 2.340 10 0 BEAEMN CN1CCC[C@@](O)(c2ccc(Cl)s2)C1 ZINC000134349194 372197532 /nfs/dbraw/zinc/19/75/32/372197532.db2.gz AQSWRDVDUWQJKC-JTQLQIEISA-N 0 1 231.748 2.315 10 0 BEAEMN O=C(Cc1ccc(F)cc1)CN1C[C@H]2CC[C@@H]1C2 ZINC000049716394 182035618 /nfs/dbraw/zinc/03/56/18/182035618.db2.gz BFGULVPFZIQLQB-GXTWGEPZSA-N 0 1 247.313 2.422 10 0 BEAEMN O=C(Cc1ccccc1)CN1C[C@H]2CC[C@@H]1C2 ZINC000049716419 182043566 /nfs/dbraw/zinc/04/35/66/182043566.db2.gz GTVFOOWVUUJKOY-UONOGXRCSA-N 0 1 229.323 2.283 10 0 BEAEMN C[C@H](C[N@H+]1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000245225607 373198546 /nfs/dbraw/zinc/19/85/46/373198546.db2.gz ZDMPFTKSZIQVIC-UTUOFQBUSA-N 0 1 225.332 2.219 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245225168 373198708 /nfs/dbraw/zinc/19/87/08/373198708.db2.gz OQVWISGFGXGBBL-WOPDTQHZSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@@H](NC1=NC[C@H](C)S1)c1nccs1 ZINC000070734421 374182106 /nfs/dbraw/zinc/18/21/06/374182106.db2.gz OXJNNLINXRDDJW-NKWVEPMBSA-N 0 1 227.358 2.285 10 0 BEAEMN CC[C@@H](NC1=NCCS1)c1nccs1 ZINC000070734380 374183171 /nfs/dbraw/zinc/18/31/71/374183171.db2.gz LSANHRIAOMQPSQ-SSDOTTSWSA-N 0 1 227.358 2.287 10 0 BEAEMN Cc1ncsc1CNC1=N[C@H](C)CS1 ZINC000070916981 374229901 /nfs/dbraw/zinc/22/99/01/374229901.db2.gz FGZGCHOHDBPWOB-ZCFIWIBFSA-N 0 1 227.358 2.032 10 0 BEAEMN O=C(Nc1ccccc1)[C@H]1CCCc2[nH]ncc21 ZINC000131624263 182376685 /nfs/dbraw/zinc/37/66/85/182376685.db2.gz CYGAQSHUSQWSLX-NSHDSACASA-N 0 1 241.294 2.468 10 0 BEAEMN O=C(Nc1nccc2[nH]cnc21)c1ccccc1 ZINC000089203057 182399979 /nfs/dbraw/zinc/39/99/79/182399979.db2.gz BAWMDQMTNCQNSJ-UHFFFAOYSA-N 0 1 238.250 2.210 10 0 BEAEMN CC[C@@H](C(N)=O)N1CC=C(c2ccccc2)CC1 ZINC000171074397 535449819 /nfs/dbraw/zinc/44/98/19/535449819.db2.gz HJRCANJYHRRODM-AWEZNQCLSA-N 0 1 244.338 2.040 10 0 BEAEMN OCCCCN1CCCC[C@@H]1c1nccs1 ZINC000171065477 183048612 /nfs/dbraw/zinc/04/86/12/183048612.db2.gz KCGZPLGEELQSNI-LLVKDONJSA-N 0 1 240.372 2.443 10 0 BEAEMN OCC[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000128033852 183099343 /nfs/dbraw/zinc/09/93/43/183099343.db2.gz PWWSYKKPTYOTIA-SNVBAGLBSA-N 0 1 241.281 2.169 10 0 BEAEMN O[C@@H]1/C(=C/c2ccc(F)cc2)N2CCC1CC2 ZINC000012341635 183186492 /nfs/dbraw/zinc/18/64/92/183186492.db2.gz HSEHKBPZCDLUHZ-XXYUJHKVSA-N 0 1 233.286 2.253 10 0 BEAEMN CCCN(CC)C(=O)c1[nH]nc2ccc(N)cc21 ZINC000048278013 169121531 /nfs/dbraw/zinc/12/15/31/169121531.db2.gz QPFMCRKQZMGITQ-UHFFFAOYSA-N 0 1 246.314 2.017 10 0 BEAEMN O=c1c2c([nH]n1-c1ccccc1)C1CCN2CC1 ZINC000100904535 183255695 /nfs/dbraw/zinc/25/56/95/183255695.db2.gz DDRVOWBIJUVZBP-UHFFFAOYSA-N 0 1 241.294 2.275 10 0 BEAEMN O=c1cc(C(F)(F)F)nc([C@H]2CCCC[NH2+]2)[n-]1 ZINC000071396345 183257303 /nfs/dbraw/zinc/25/73/03/183257303.db2.gz ALAKRTUESKWHDP-ZCFIWIBFSA-N 0 1 247.220 2.016 10 0 BEAEMN Oc1ccc2nc(-c3cc(O)cc(O)c3)[nH]c2c1 ZINC000096906813 183261123 /nfs/dbraw/zinc/26/11/23/183261123.db2.gz NCYCPQCNTUAVPK-UHFFFAOYSA-N 0 1 242.234 2.347 10 0 BEAEMN O=c1cc[nH]c(-c2ccc(F)cc2O)c1 ZINC000065355710 183304873 /nfs/dbraw/zinc/30/48/73/183304873.db2.gz SYQOKQHDNNGPTC-UHFFFAOYSA-N 0 1 205.188 2.299 10 0 BEAEMN CCC[N@H+]1CCc2sc(C(=O)[O-])cc2C1 ZINC000020432663 169209247 /nfs/dbraw/zinc/20/92/47/169209247.db2.gz GUTVUHDKXQUWPP-UHFFFAOYSA-N 0 1 225.313 2.214 10 0 BEAEMN CCCN[C@@H]1c2ccc(OC(C)C)cc2NC1=O ZINC000103926461 169290438 /nfs/dbraw/zinc/29/04/38/169290438.db2.gz FFUXZFKTGIYOTR-CYBMUJFWSA-N 0 1 248.326 2.467 10 0 BEAEMN CCCN[C@H]1c2ccc(SC)cc2NC1=O ZINC000103388106 169280883 /nfs/dbraw/zinc/28/08/83/169280883.db2.gz BZSAHRKXXAWGAQ-NSHDSACASA-N 0 1 236.340 2.401 10 0 BEAEMN CCCO[C@@H]1CCC[N@H+]([C@@H](C)CCC(=O)[O-])C1 ZINC000050957093 169311974 /nfs/dbraw/zinc/31/19/74/169311974.db2.gz VTCOWEJXPIHCQE-NWDGAFQWSA-N 0 1 243.347 2.131 10 0 BEAEMN CCC[C@@H](N)c1noc(-c2scnc2C)n1 ZINC000041052570 169394546 /nfs/dbraw/zinc/39/45/46/169394546.db2.gz LYAFTDKTRVDCJS-SSDOTTSWSA-N 0 1 238.316 2.301 10 0 BEAEMN CCC[C@@H](N)c1nc2c(s1)COCC2 ZINC000041059341 169394052 /nfs/dbraw/zinc/39/40/52/169394052.db2.gz HRXOCWNQAWKYAZ-SSDOTTSWSA-N 0 1 212.318 2.016 10 0 BEAEMN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000035792873 383877390 /nfs/dbraw/zinc/87/73/90/383877390.db2.gz COPKRBMZZPNQJM-BQBZGAKWSA-N 0 1 244.697 2.004 10 0 BEAEMN O=Cc1cc(C(F)(F)F)cc2cn[nH]c21 ZINC000089197251 383944034 /nfs/dbraw/zinc/94/40/34/383944034.db2.gz WAUYYAVBIIYPLR-UHFFFAOYSA-N 0 1 214.146 2.394 10 0 BEAEMN Cc1ccc(O)c(CN[C@H](C)c2cccnc2)n1 ZINC000112716373 383945263 /nfs/dbraw/zinc/94/52/63/383945263.db2.gz PORMEYNWBRQYED-LLVKDONJSA-N 0 1 243.310 2.341 10 0 BEAEMN CCc1cccc2c([C@@H](N)C(C)=O)c[nH]c21 ZINC000089204000 383946124 /nfs/dbraw/zinc/94/61/24/383946124.db2.gz HWLHIJIGNPGOEU-LBPRGKRZSA-N 0 1 216.284 2.319 10 0 BEAEMN O=C(CNC1CC1)c1ccc2[nH]ccc2c1 ZINC000089208865 383946889 /nfs/dbraw/zinc/94/68/89/383946889.db2.gz YMYLHEGGAGFTBU-UHFFFAOYSA-N 0 1 214.268 2.103 10 0 BEAEMN C(c1[nH]nc2c1CCCCN2)N1CCCCC1 ZINC000003698260 384023036 /nfs/dbraw/zinc/02/30/36/384023036.db2.gz MSMHVZWTXUEADX-UHFFFAOYSA-N 0 1 234.347 2.144 10 0 BEAEMN CCN(C(=O)c1ccn[nH]1)[C@H](C)c1cccnc1 ZINC000115224013 384073739 /nfs/dbraw/zinc/07/37/39/384073739.db2.gz CAALNBUEMUHISS-SNVBAGLBSA-N 0 1 244.298 2.028 10 0 BEAEMN Cc1n[nH]c2c1[C@H](O)C[C@@H](c1ccccc1O)C2 ZINC000072415258 384099387 /nfs/dbraw/zinc/09/93/87/384099387.db2.gz SNRANHLTJDUOAN-TVQRCGJNSA-N 0 1 244.294 2.187 10 0 BEAEMN CN[C@H](C)c1nnc(-c2ccsc2)o1 ZINC000050618271 384110695 /nfs/dbraw/zinc/11/06/95/384110695.db2.gz JPLTVNLGUXCRDR-ZCFIWIBFSA-N 0 1 209.274 2.079 10 0 BEAEMN CCCCN(CC)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132043070 384210229 /nfs/dbraw/zinc/21/02/29/384210229.db2.gz CVPNUYWIJHYUKU-NSHDSACASA-N 0 1 249.358 2.478 10 0 BEAEMN FC(F)(F)[C@H]1CNC[C@@H](C2CCCC2)O1 ZINC000074942698 384315003 /nfs/dbraw/zinc/31/50/03/384315003.db2.gz PQRFYIAFENWTLV-DTWKUNHWSA-N 0 1 223.238 2.096 10 0 BEAEMN Cn1cccc1CNCc1ccc(Cl)cn1 ZINC000133599508 384302205 /nfs/dbraw/zinc/30/22/05/384302205.db2.gz SGLMFHJGTHVBIH-UHFFFAOYSA-N 0 1 235.718 2.363 10 0 BEAEMN COc1ccc(CCN2[C@H](C)COC[C@H]2C)cc1 ZINC000120809633 384384000 /nfs/dbraw/zinc/38/40/00/384384000.db2.gz AGRFNBQOLVFNFY-CHWSQXEVSA-N 0 1 249.354 2.347 10 0 BEAEMN CCCN(Cc1c(C)nn(C)c1OC)C1CC1 ZINC000180098157 384439183 /nfs/dbraw/zinc/43/91/83/384439183.db2.gz TYBGJBCUQCOHTJ-UHFFFAOYSA-N 0 1 237.347 2.112 10 0 BEAEMN Cc1ccc(C)c(-c2ccc(NN)nn2)c1 ZINC000011567892 384459631 /nfs/dbraw/zinc/45/96/31/384459631.db2.gz OPNVGEAYXVBIIU-UHFFFAOYSA-N 0 1 214.272 2.046 10 0 BEAEMN CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc([O-])c(Cl)c1 ZINC000054929225 384511964 /nfs/dbraw/zinc/51/19/64/384511964.db2.gz SOBRQEGEWJNKPJ-JQWIXIFHSA-N 0 1 243.734 2.452 10 0 BEAEMN OCc1cc(Br)c(O)cc1Cl ZINC000575676774 384486780 /nfs/dbraw/zinc/48/67/80/384486780.db2.gz UPABOWLMVBXPAN-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN C[C@H]1C[C@H](O)CN(Cc2ccc(F)c(F)c2)C1 ZINC000334745684 384557922 /nfs/dbraw/zinc/55/79/22/384557922.db2.gz IZXDTRCVQWYKAA-ONGXEEELSA-N 0 1 241.281 2.168 10 0 BEAEMN CN(C)Cc1cn2cc(Cl)ccc2n1 ZINC000258409601 384581897 /nfs/dbraw/zinc/58/18/97/384581897.db2.gz BYMOCJGBRMZIAN-UHFFFAOYSA-N 0 1 209.680 2.049 10 0 BEAEMN C[N@H+](Cc1cccnc1)C[C@@H]1CCCC[C@@H]1O ZINC000053883659 384809944 /nfs/dbraw/zinc/80/99/44/384809944.db2.gz AVTWDZJQFZJQOI-KBPBESRZSA-N 0 1 234.343 2.065 10 0 BEAEMN Cc1ccc([C@H](C)NCc2c[nH]nn2)cc1F ZINC000398309597 384900098 /nfs/dbraw/zinc/90/00/98/384900098.db2.gz XDSWELIASIOEMR-VIFPVBQESA-N 0 1 234.278 2.103 10 0 BEAEMN CC[C@H](O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000106385646 384913552 /nfs/dbraw/zinc/91/35/52/384913552.db2.gz TVIVOPPWNYTMBF-AEGPPILISA-N 0 1 249.354 2.219 10 0 BEAEMN Clc1ccccc1[C@H]1CN(C2CC2)CCN1 ZINC000056894781 384921225 /nfs/dbraw/zinc/92/12/25/384921225.db2.gz RHXAIMYXICXMJR-CYBMUJFWSA-N 0 1 236.746 2.449 10 0 BEAEMN CC(=O)CCN1CCc2ccsc2C1 ZINC000060193824 385071591 /nfs/dbraw/zinc/07/15/91/385071591.db2.gz ZKIIFWTVLWXCLB-UHFFFAOYSA-N 0 1 209.314 2.085 10 0 BEAEMN Nc1ccnc(CN2CCC[C@H]3CCCC[C@H]32)n1 ZINC000246863551 385248790 /nfs/dbraw/zinc/24/87/90/385248790.db2.gz PRDSWUPPKJOAAQ-VXGBXAGGSA-N 0 1 246.358 2.213 10 0 BEAEMN C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000062751334 385260282 /nfs/dbraw/zinc/26/02/82/385260282.db2.gz RKPWSNFVXQVJNK-QWRGUYRKSA-N 0 1 211.305 2.114 10 0 BEAEMN O=C(c1ccsc1)[C@H]1CN2CCC1CC2 ZINC000215681736 385322809 /nfs/dbraw/zinc/32/28/09/385322809.db2.gz LVPOQEDDJVEXCC-NSHDSACASA-N 0 1 221.325 2.273 10 0 BEAEMN Cc1ccc([C@@H](C)NCc2ccnc(N)c2)o1 ZINC000193550833 385401354 /nfs/dbraw/zinc/40/13/54/385401354.db2.gz QIHQMECTDLONFG-SNVBAGLBSA-N 0 1 231.299 2.416 10 0 BEAEMN N[C@H](c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062775955 385415602 /nfs/dbraw/zinc/41/56/02/385415602.db2.gz URVDAACBHQJWRN-MRVPVSSYSA-N 0 1 213.693 2.173 10 0 BEAEMN Cc1csc([C@H]2CCC[N@H+](C[C@@H](C)O)C2)n1 ZINC000194952093 385453251 /nfs/dbraw/zinc/45/32/51/385453251.db2.gz ANESQSSBBBQUOF-MNOVXSKESA-N 0 1 240.372 2.012 10 0 BEAEMN C[C@@H](N[C@@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966300 385455494 /nfs/dbraw/zinc/45/54/94/385455494.db2.gz PIVLPBVKEYVKQP-ZWNOBZJWSA-N 0 1 242.326 2.282 10 0 BEAEMN CC(C)C[N@H+]1CCC[C@H](CC(=O)[O-])CC1 ZINC000257652387 385486959 /nfs/dbraw/zinc/48/69/59/385486959.db2.gz GLPQAAHYEHEIDT-NSHDSACASA-N 0 1 213.321 2.219 10 0 BEAEMN COC(=O)c1cccnc1CN1C[C@H](C)C[C@@H]1C ZINC000302310960 385510179 /nfs/dbraw/zinc/51/01/79/385510179.db2.gz IKRLOGMYBQLKLU-MNOVXSKESA-N 0 1 248.326 2.099 10 0 BEAEMN N=c1[nH]oc([C@@H]2CC23CC3)c1Br ZINC000575537654 385923741 /nfs/dbraw/zinc/92/37/41/385923741.db2.gz HOLZJRIMQRYCMH-BYPYZUCNSA-N 0 1 229.077 2.117 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1cc(C)n(C)n1 ZINC000414368314 386155396 /nfs/dbraw/zinc/15/53/96/386155396.db2.gz SJYUKQBEUQFQLH-ZYHUDNBSSA-N 0 1 207.321 2.007 10 0 BEAEMN C[C@@H]1CCN1c1c(N)cncc1Br ZINC000575591175 386331196 /nfs/dbraw/zinc/33/11/96/386331196.db2.gz NHFHCILPBGKDFP-ZCFIWIBFSA-N 0 1 242.120 2.025 10 0 BEAEMN O=c1occ2[nH]c(Cl)c(Cl)cc1-2 ZINC000238850857 386535399 /nfs/dbraw/zinc/53/53/99/386535399.db2.gz CZVPFVFSQJCWHX-UHFFFAOYSA-N 0 1 204.012 2.059 10 0 BEAEMN O=C1CCCN1CCN1CCC[C@@H]1c1ccco1 ZINC000116297880 386933467 /nfs/dbraw/zinc/93/34/67/386933467.db2.gz UJFMWKVSRQBDSM-GFCCVEGCSA-N 0 1 248.326 2.039 10 0 BEAEMN CCOc1cc(C=O)cc(OC(F)F)c1O ZINC000575657704 387043801 /nfs/dbraw/zinc/04/38/01/387043801.db2.gz VBTDNIYIBKDEHJ-UHFFFAOYSA-N 0 1 232.182 2.205 10 0 BEAEMN [NH3+][C@H](CCF)c1ccc([O-])c(Cl)c1 ZINC000575439966 387125321 /nfs/dbraw/zinc/12/53/21/387125321.db2.gz PLZMVWIEEYLPBU-MRVPVSSYSA-N 0 1 203.644 2.405 10 0 BEAEMN C[C@@H]1C[C@@H](c2cccs2)C[C@@H](O)N1C ZINC000536949682 387160912 /nfs/dbraw/zinc/16/09/12/387160912.db2.gz DLPLKOFQAYXVOD-FXPVBKGRSA-N 0 1 211.330 2.264 10 0 BEAEMN C[C@H](N)c1nc(C2(Cl)CC2)cs1 ZINC000575502420 387356593 /nfs/dbraw/zinc/35/65/93/387356593.db2.gz WONVKZXZPRHKHF-YFKPBYRVSA-N 0 1 202.710 2.391 10 0 BEAEMN Clc1ncnc2[nH]nc(-c3ccco3)c21 ZINC000575601670 387362326 /nfs/dbraw/zinc/36/23/26/387362326.db2.gz MEISBDNSGDELBB-UHFFFAOYSA-N 0 1 220.619 2.266 10 0 BEAEMN COc1cc(O)cc(Br)c1C(C)=O ZINC000575690334 387381711 /nfs/dbraw/zinc/38/17/11/387381711.db2.gz JMPZQVLQFDEHME-UHFFFAOYSA-N 0 1 245.072 2.366 10 0 BEAEMN Nc1ccc(Br)c(O)c1Cl ZINC000575720122 387441272 /nfs/dbraw/zinc/44/12/72/387441272.db2.gz RCMDGYPCNJVSHK-UHFFFAOYSA-N 0 1 222.469 2.390 10 0 BEAEMN N=c1[nH]oc([C@H]2C[C@H]2C2CC2)c1Br ZINC000575521965 387442998 /nfs/dbraw/zinc/44/29/98/387442998.db2.gz UUVCISASDKYZSD-WDSKDSINSA-N 0 1 243.104 2.363 10 0 BEAEMN CC[C@@H](C)N(C)Cc1ncccc1C(=O)OC ZINC000304175969 387446425 /nfs/dbraw/zinc/44/64/25/387446425.db2.gz NMVAHIFNBUSCBR-SNVBAGLBSA-N 0 1 236.315 2.099 10 0 BEAEMN CCOC(=O)c1cc(F)c(O)cc1Cl ZINC000575701415 387405285 /nfs/dbraw/zinc/40/52/85/387405285.db2.gz YGOSNTRELRHAKY-UHFFFAOYSA-N 0 1 218.611 2.361 10 0 BEAEMN CC(=O)CCN1CCC(c2nccs2)CC1 ZINC000373973224 387409330 /nfs/dbraw/zinc/40/93/30/387409330.db2.gz OCCATTPCXRXURR-UHFFFAOYSA-N 0 1 238.356 2.302 10 0 BEAEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)C1CC1 ZINC000121805408 387418926 /nfs/dbraw/zinc/41/89/26/387418926.db2.gz FPHHOUADNGTXGL-QMMMGPOBSA-N 0 1 235.331 2.370 10 0 BEAEMN Cc1nc(CN)n(Cc2ccccc2)c1C ZINC000575538451 387581393 /nfs/dbraw/zinc/58/13/93/387581393.db2.gz RRUAYQSJPMQQBC-UHFFFAOYSA-N 0 1 215.300 2.007 10 0 BEAEMN N=c1[nH]oc([C@@]23C[C@@H]2CCC3)c1Br ZINC000575531040 387552008 /nfs/dbraw/zinc/55/20/08/387552008.db2.gz GNJCPVXAPFXSJK-CDUCUWFYSA-N 0 1 243.104 2.291 10 0 BEAEMN C[C@](N)(c1ccsc1)c1cncs1 ZINC000575549016 387647700 /nfs/dbraw/zinc/64/77/00/387647700.db2.gz GDVRZSZNYDCVSB-VIFPVBQESA-N 0 1 210.327 2.427 10 0 BEAEMN CCC[C@@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195247572 387916079 /nfs/dbraw/zinc/91/60/79/387916079.db2.gz QDTGXEBUSUEDHD-CHWSQXEVSA-N 0 1 238.375 2.119 10 0 BEAEMN CN[C@H](C)C(=O)c1ccc(Cl)s1 ZINC000071508798 388095971 /nfs/dbraw/zinc/09/59/71/388095971.db2.gz VTSPXQPERGVFBV-RXMQYKEDSA-N 0 1 203.694 2.192 10 0 BEAEMN CN[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000071508797 388096458 /nfs/dbraw/zinc/09/64/58/388096458.db2.gz VTSPXQPERGVFBV-YFKPBYRVSA-N 0 1 203.694 2.192 10 0 BEAEMN CC[C@H](N[C@H](C)c1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397584895 388481523 /nfs/dbraw/zinc/48/15/23/388481523.db2.gz GZUZMAMSWRVYAJ-VWYCJHECSA-N 0 1 236.363 2.290 10 0 BEAEMN Cc1cc(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[nH]n1 ZINC000246089415 388437938 /nfs/dbraw/zinc/43/79/38/388437938.db2.gz MRSMGRWYDADUOA-UFGOTCBOSA-N 0 1 249.358 2.202 10 0 BEAEMN CN[C@@H]1c2ccccc2Oc2ncccc21 ZINC000075621651 388575099 /nfs/dbraw/zinc/57/50/99/388575099.db2.gz WXDBRWHFGDQZHG-GFCCVEGCSA-N 0 1 212.252 2.496 10 0 BEAEMN COCCN[C@H](C)c1c(F)cccc1OC ZINC000125228250 388669981 /nfs/dbraw/zinc/66/99/81/388669981.db2.gz VWYDFKJUKQWHSX-SECBINFHSA-N 0 1 227.279 2.131 10 0 BEAEMN CN1CCC(c2nnc(Cl)s2)CC1 ZINC000575453710 388751067 /nfs/dbraw/zinc/75/10/67/388751067.db2.gz DOQXMBNSMNOUPI-UHFFFAOYSA-N 0 1 217.725 2.001 10 0 BEAEMN CC(C)[C@H](O)CCN[C@@H](C)c1cscn1 ZINC000127871435 388732904 /nfs/dbraw/zinc/73/29/04/388732904.db2.gz LYLQUUNWQQZZMP-GXSJLCMTSA-N 0 1 228.361 2.201 10 0 BEAEMN CC(C)C(C)(C)Nc1n[nH]c(=S)s1 ZINC000575489254 388886539 /nfs/dbraw/zinc/88/65/39/388886539.db2.gz ABGBANRCXAMGPA-UHFFFAOYSA-N 0 1 217.363 2.095 10 0 BEAEMN CC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000033605060 132336033 /nfs/dbraw/zinc/33/60/33/132336033.db2.gz LZGUSKVMQCBGSX-UHFFFAOYSA-N 0 1 246.354 2.178 10 0 BEAEMN C[C@@H](O)c1ccccc1N1CCN(C2CC2)CC1 ZINC000042490699 132352541 /nfs/dbraw/zinc/35/25/41/132352541.db2.gz IHEMKFXGSKTEOB-GFCCVEGCSA-N 0 1 246.354 2.024 10 0 BEAEMN COCC[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000220932317 134314768 /nfs/dbraw/zinc/31/47/68/134314768.db2.gz YJZBCRREMBCXNZ-WCBMZHEXSA-N 0 1 212.293 2.059 10 0 BEAEMN Cc1cnc([C@@H](C)NCCc2ccccn2)o1 ZINC000220882173 134316683 /nfs/dbraw/zinc/31/66/83/134316683.db2.gz UCWQLEZTQKMVLC-LLVKDONJSA-N 0 1 231.299 2.271 10 0 BEAEMN Cc1ncccc1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000179732928 134320712 /nfs/dbraw/zinc/32/07/12/134320712.db2.gz ODRLAUNKJPVYSR-UHFFFAOYSA-N 0 1 245.370 2.060 10 0 BEAEMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000185589714 134382148 /nfs/dbraw/zinc/38/21/48/134382148.db2.gz QSLUOQLRIRVVCQ-JQWIXIFHSA-N 0 1 248.374 2.313 10 0 BEAEMN CC[C@H]1[C@@H](C)CCN1Cc1nnc(C2CC2)n1C ZINC000185589714 134382149 /nfs/dbraw/zinc/38/21/49/134382149.db2.gz QSLUOQLRIRVVCQ-JQWIXIFHSA-N 0 1 248.374 2.313 10 0 BEAEMN OCC[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000227571241 134383132 /nfs/dbraw/zinc/38/31/32/134383132.db2.gz OLPWKADBFBHECJ-SNVBAGLBSA-N 0 1 241.281 2.169 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1C[C@@H](O)CC1CCCC1 ZINC000249073809 135031927 /nfs/dbraw/zinc/03/19/27/135031927.db2.gz LJBNTCRSOSAWHN-SCRDCRAPSA-N 0 1 241.375 2.037 10 0 BEAEMN CSc1ccc([C@@H](C)NC2COC2)cc1 ZINC000087194763 135110936 /nfs/dbraw/zinc/11/09/36/135110936.db2.gz YKSBMNGWJQRALT-SECBINFHSA-N 0 1 223.341 2.458 10 0 BEAEMN Cc1ccc2c(c1)[C@H]([N@@H+](C)CC(=O)[O-])[C@@H](C)C2 ZINC000263447640 135355349 /nfs/dbraw/zinc/35/53/49/135355349.db2.gz YHKRCDSLRSQZIQ-IINYFYTJSA-N 0 1 233.311 2.245 10 0 BEAEMN Cc1cccc(CC[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000263448041 135355485 /nfs/dbraw/zinc/35/54/85/135355485.db2.gz YNMQCCJWTVIURT-ZDUSSCGKSA-N 0 1 233.311 2.087 10 0 BEAEMN NNc1ccc(-c2cccc(Cl)c2)nn1 ZINC000039632725 397926578 /nfs/dbraw/zinc/92/65/78/397926578.db2.gz ZSLZEMNLILRXLF-UHFFFAOYSA-N 0 1 220.663 2.083 10 0 BEAEMN Brc1cccc(Cc2nc[nH]n2)c1 ZINC000082549086 166101653 /nfs/dbraw/zinc/10/16/53/166101653.db2.gz QMCVZKISDHQXDO-UHFFFAOYSA-N 0 1 238.088 2.158 10 0 BEAEMN CC(C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000035229478 167138452 /nfs/dbraw/zinc/13/84/52/167138452.db2.gz HHXDEBKOAGGNOR-SNVBAGLBSA-N 0 1 222.336 2.064 10 0 BEAEMN CC(C)Oc1ccc(C(=O)[C@H](C)N)cc1 ZINC000071510444 167291152 /nfs/dbraw/zinc/29/11/52/167291152.db2.gz RJHQAGWGQNTALR-VIFPVBQESA-N 0 1 207.273 2.004 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccs1 ZINC000032015432 167343891 /nfs/dbraw/zinc/34/38/91/167343891.db2.gz KJZPQSLCPLOLCY-JTQLQIEISA-N 0 1 227.329 2.289 10 0 BEAEMN CCc1cc(=O)n(Cc2cccc(C)c2)[nH]1 ZINC000109223645 411149646 /nfs/dbraw/zinc/14/96/46/411149646.db2.gz OEZDGELPFIPBFH-UHFFFAOYSA-N 0 1 216.284 2.493 10 0 BEAEMN Fc1cccc2c1CC[C@@H]2NCc1cn[nH]c1 ZINC000111356983 411167263 /nfs/dbraw/zinc/16/72/63/411167263.db2.gz BVMDFSCMGGGDFW-ZDUSSCGKSA-N 0 1 231.274 2.326 10 0 BEAEMN C[N@@H+](Cc1ncccc1C(=O)[O-])C1CCCC1 ZINC000304198591 411352652 /nfs/dbraw/zinc/35/26/52/411352652.db2.gz YFRRUVKQFZKCAQ-UHFFFAOYSA-N 0 1 234.299 2.154 10 0 BEAEMN C[C@H]1C[C@H](C)[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304198250 411353226 /nfs/dbraw/zinc/35/32/26/411353226.db2.gz YEADVOHGELMJBC-UWVGGRQHSA-N 0 1 234.299 2.010 10 0 BEAEMN CC[C@@H](C)C[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304186021 411353295 /nfs/dbraw/zinc/35/32/95/411353295.db2.gz RYYHJVPLIAOKFI-SNVBAGLBSA-N 0 1 236.315 2.258 10 0 BEAEMN CC1CCC([N@@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000042472524 168158281 /nfs/dbraw/zinc/15/82/81/168158281.db2.gz OEGSLZULMCZONT-UHFFFAOYSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)[C@H](N)C(=O)OC1CCC(C)CC1 ZINC000048633019 168166505 /nfs/dbraw/zinc/16/65/05/168166505.db2.gz SRAWSIGDLXNAHP-ILDUYXDCSA-N 0 1 213.321 2.092 10 0 BEAEMN CC1CCC(OCc2cc(CN)no2)CC1 ZINC000052619311 168167964 /nfs/dbraw/zinc/16/79/64/168167964.db2.gz IDHAAVZLHVLJNG-UHFFFAOYSA-N 0 1 224.304 2.229 10 0 BEAEMN CCC(=O)CCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000300121141 168198133 /nfs/dbraw/zinc/19/81/33/168198133.db2.gz TXBLQVFDHPRXOY-ZIAGYGMSSA-N 0 1 239.359 2.389 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000217716554 411518926 /nfs/dbraw/zinc/51/89/26/411518926.db2.gz SBNDXVUDCFWPBM-SZNGSJQDSA-N 0 1 233.311 2.495 10 0 BEAEMN CCNCc1nnc(-c2ccc(CC)cc2)o1 ZINC000050615552 170131257 /nfs/dbraw/zinc/13/12/57/170131257.db2.gz GGZFWNDODGPWSJ-UHFFFAOYSA-N 0 1 231.299 2.409 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2cccc(C)n2)o1 ZINC000050618715 170142951 /nfs/dbraw/zinc/14/29/51/170142951.db2.gz DLEVFEKTNJDXLM-VIFPVBQESA-N 0 1 232.287 2.111 10 0 BEAEMN CCN[C@@H](c1ccc(C)s1)c1nccn1C ZINC000041048665 170147567 /nfs/dbraw/zinc/14/75/67/170147567.db2.gz AWVXBGDQFYYFHN-NSHDSACASA-N 0 1 235.356 2.489 10 0 BEAEMN CCN[C@H]1c2ccc(SCC)cc2NC1=O ZINC000036195014 170149671 /nfs/dbraw/zinc/14/96/71/170149671.db2.gz IFZFRFCPMSRDDY-NSHDSACASA-N 0 1 236.340 2.401 10 0 BEAEMN CCN[C@@H](c1ccncc1)c1cncc(F)c1 ZINC000049576301 170149979 /nfs/dbraw/zinc/14/99/79/170149979.db2.gz LNBROMGWRFUMMO-ZDUSSCGKSA-N 0 1 231.274 2.315 10 0 BEAEMN CCN[C@H](c1nccn1C)c1sccc1C ZINC000041048667 170150114 /nfs/dbraw/zinc/15/01/14/170150114.db2.gz FJBWYHUQPABJBO-JTQLQIEISA-N 0 1 235.356 2.489 10 0 BEAEMN CCN[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000049538294 170160061 /nfs/dbraw/zinc/16/00/61/170160061.db2.gz IFJOOMDYMFHGDM-SECBINFHSA-N 0 1 217.272 2.407 10 0 BEAEMN CCN[C@H](c1cccc(F)c1)c1cnccn1 ZINC000037536047 170164449 /nfs/dbraw/zinc/16/44/49/170164449.db2.gz BJKWHTAVASWJBZ-CYBMUJFWSA-N 0 1 231.274 2.315 10 0 BEAEMN CCOC(=O)C1(N)CCC(C(C)(C)C)CC1 ZINC000037459887 170190306 /nfs/dbraw/zinc/19/03/06/170190306.db2.gz DKMGIVUZQCTRHD-UHFFFAOYSA-N 0 1 227.348 2.483 10 0 BEAEMN CCOC(=O)[C@@]1(N)CCCC[C@H]1C(C)(C)C ZINC000037459853 170263557 /nfs/dbraw/zinc/26/35/57/170263557.db2.gz IQOZBAVSFTZLKZ-GXFFZTMASA-N 0 1 227.348 2.483 10 0 BEAEMN CCOC(=O)c1cc2cc(OCC)cnc2[nH]1 ZINC000095937162 170293824 /nfs/dbraw/zinc/29/38/24/170293824.db2.gz YQEBFRGISZFSJW-UHFFFAOYSA-N 0 1 234.255 2.138 10 0 BEAEMN CCn1c(C)nnc1CNC1(CC(C)C)CC1 ZINC000662067829 411970040 /nfs/dbraw/zinc/97/00/40/411970040.db2.gz DAFUYVABVOYVIF-UHFFFAOYSA-N 0 1 236.363 2.275 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000662212376 412027678 /nfs/dbraw/zinc/02/76/78/412027678.db2.gz OVLKGXGFBJXNRB-DCAQKATOSA-N 0 1 213.321 2.074 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000662212380 412028260 /nfs/dbraw/zinc/02/82/60/412028260.db2.gz OVLKGXGFBJXNRB-VWYCJHECSA-N 0 1 213.321 2.074 10 0 BEAEMN CC[C@@H]1CSC(NCc2nc(C)cs2)=N1 ZINC000049534309 171114284 /nfs/dbraw/zinc/11/42/84/171114284.db2.gz BKCPTGZMEGFTGP-MRVPVSSYSA-N 0 1 241.385 2.423 10 0 BEAEMN CC[C@H](C)C[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000058014057 171275720 /nfs/dbraw/zinc/27/57/20/171275720.db2.gz YASCTCLJTNZLPQ-VIFPVBQESA-N 0 1 236.315 2.449 10 0 BEAEMN CC[C@H](C)N(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000037110735 171310329 /nfs/dbraw/zinc/31/03/29/171310329.db2.gz MMSMSPKKFJSBOT-QMMMGPOBSA-N 0 1 208.261 2.015 10 0 BEAEMN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccncc1 ZINC000035693393 171335186 /nfs/dbraw/zinc/33/51/86/171335186.db2.gz PQJKPXHIFFJPSW-SRVKXCTJSA-N 0 1 249.358 2.035 10 0 BEAEMN CC[C@H](NC)c1nnc(-c2scnc2C)o1 ZINC000061511697 171514606 /nfs/dbraw/zinc/51/46/06/171514606.db2.gz UKLSWYPGIVFKNO-ZETCQYMHSA-N 0 1 238.316 2.172 10 0 BEAEMN CCc1nc([C@@](C)(N)CCc2ccccc2)no1 ZINC000036763066 172005119 /nfs/dbraw/zinc/00/51/19/172005119.db2.gz UGEGJOKZHXHFFU-AWEZNQCLSA-N 0 1 245.326 2.439 10 0 BEAEMN CCc1nc2cc(N)ccc2n1C[C@H]1CCOC1 ZINC000061148342 172010037 /nfs/dbraw/zinc/01/00/37/172010037.db2.gz BZQFNFLOOMAXDT-SNVBAGLBSA-N 0 1 245.326 2.217 10 0 BEAEMN CCn1c(C)nc(-c2ccccc2OC)c1N ZINC000103499886 172136992 /nfs/dbraw/zinc/13/69/92/172136992.db2.gz VDTIMYUFCOTUOJ-UHFFFAOYSA-N 0 1 231.299 2.469 10 0 BEAEMN CCn1c(N)nc2cc(Br)ccc21 ZINC000032500749 172146007 /nfs/dbraw/zinc/14/60/07/172146007.db2.gz PKXDSPHJYREQRJ-UHFFFAOYSA-N 0 1 240.104 2.401 10 0 BEAEMN CCn1ccnc1N[C@H](C)c1ccncc1 ZINC000050608457 172227729 /nfs/dbraw/zinc/22/77/29/172227729.db2.gz IPPQNTJAMXPKJU-SNVBAGLBSA-N 0 1 216.288 2.471 10 0 BEAEMN Cn1nc([C@H]2CCCCN2C)c2c1NCCCC2 ZINC000003697781 173008354 /nfs/dbraw/zinc/00/83/54/173008354.db2.gz QHJFIGAGCJJGAI-GFCCVEGCSA-N 0 1 248.374 2.325 10 0 BEAEMN Cn1nc([C@@H]2CCCCN2C)c2c1NCCCC2 ZINC000003697782 173009140 /nfs/dbraw/zinc/00/91/40/173009140.db2.gz QHJFIGAGCJJGAI-LBPRGKRZSA-N 0 1 248.374 2.325 10 0 BEAEMN C[N@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000075906312 173022140 /nfs/dbraw/zinc/02/21/40/173022140.db2.gz RWQKPTJLFCESDB-GFCCVEGCSA-N 0 1 219.284 2.194 10 0 BEAEMN CN1CC[C@@H](Nc2ccc(F)c(F)c2F)C1 ZINC000061984562 173125714 /nfs/dbraw/zinc/12/57/14/173125714.db2.gz DSRZUSYVIFAOIH-SSDOTTSWSA-N 0 1 230.233 2.220 10 0 BEAEMN CNCC(=O)c1cc(Cl)ccc1Cl ZINC000082536359 173337026 /nfs/dbraw/zinc/33/70/26/173337026.db2.gz HXJPUBKSQRSRTG-UHFFFAOYSA-N 0 1 218.083 2.396 10 0 BEAEMN CNCc1csc(N2CCCC[C@H]2C)n1 ZINC000062214900 173393064 /nfs/dbraw/zinc/39/30/64/173393064.db2.gz XWSFFTAZOSAHKL-SECBINFHSA-N 0 1 225.361 2.241 10 0 BEAEMN CNCc1nc2cc(F)c(Cl)cc2o1 ZINC000062526004 173396183 /nfs/dbraw/zinc/39/61/83/173396183.db2.gz MLQKPFMXYXBBRI-UHFFFAOYSA-N 0 1 214.627 2.340 10 0 BEAEMN CNCc1nnc(-c2cc(C)ccc2C)o1 ZINC000050615352 173397189 /nfs/dbraw/zinc/39/71/89/173397189.db2.gz XRAOUVHWVPFAAX-UHFFFAOYSA-N 0 1 217.272 2.073 10 0 BEAEMN CNCc1nnc(-c2ccc(F)cc2Cl)o1 ZINC000050615479 173397499 /nfs/dbraw/zinc/39/74/99/173397499.db2.gz SFENBSFRMMVVMM-UHFFFAOYSA-N 0 1 241.653 2.249 10 0 BEAEMN CN[C@@H](c1cc(C)cc(C)c1)c1cnccn1 ZINC000037746262 173426973 /nfs/dbraw/zinc/42/69/73/173426973.db2.gz QFLNMJHYDJTVKW-AWEZNQCLSA-N 0 1 227.311 2.402 10 0 BEAEMN COC1=CC(=O)OC1c1ccc(C)cc1 ZINC000001667426 174012767 /nfs/dbraw/zinc/01/27/67/174012767.db2.gz RPKQKFMOQBQYIW-GFCCVEGCSA-N 0 1 204.225 2.123 10 0 BEAEMN COCCN[C@@H](C)c1nc(C)c(C)s1 ZINC000045205773 174338532 /nfs/dbraw/zinc/33/85/32/174338532.db2.gz DKQGTEJDPYXTOS-QMMMGPOBSA-N 0 1 214.334 2.057 10 0 BEAEMN COCCN[C@H](C)c1nc(C)c(C)s1 ZINC000045205772 174339951 /nfs/dbraw/zinc/33/99/51/174339951.db2.gz DKQGTEJDPYXTOS-MRVPVSSYSA-N 0 1 214.334 2.057 10 0 BEAEMN COCC[C@@H](N)c1nc2cc(F)ccc2s1 ZINC000052785318 174392752 /nfs/dbraw/zinc/39/27/52/174392752.db2.gz SCQLFWDVZRDPOX-MRVPVSSYSA-N 0 1 240.303 2.472 10 0 BEAEMN COc1cc2nc(N)c(C)cc2c(OC)c1OC ZINC000063117340 175028431 /nfs/dbraw/zinc/02/84/31/175028431.db2.gz LTHUTKXIJQNGQI-UHFFFAOYSA-N 0 1 248.282 2.151 10 0 BEAEMN COc1ccc(C(=O)C2(N)CCCC2)c(OC)c1 ZINC000071564168 175052663 /nfs/dbraw/zinc/05/26/63/175052663.db2.gz RGTRFJCTOLXSQY-UHFFFAOYSA-N 0 1 249.310 2.158 10 0 BEAEMN COc1ccc(C)cc1-c1nc(C(C)(C)N)no1 ZINC000052944024 175072457 /nfs/dbraw/zinc/07/24/57/175072457.db2.gz YPPOFICIHDSWPJ-UHFFFAOYSA-N 0 1 247.298 2.247 10 0 BEAEMN COc1ccc(C)cc1C(=O)c1ccc(CN)o1 ZINC000041292245 175074176 /nfs/dbraw/zinc/07/41/76/175074176.db2.gz PHDATOMUIYBWRP-UHFFFAOYSA-N 0 1 245.278 2.286 10 0 BEAEMN COc1ccc(C)cc1CNCc1cn[nH]c1 ZINC000038006177 175075830 /nfs/dbraw/zinc/07/58/30/175075830.db2.gz HISUUEYXFUTACC-UHFFFAOYSA-N 0 1 231.299 2.017 10 0 BEAEMN COc1ccc(OC)c([C@H](N)c2cccnc2)c1 ZINC000011832158 175168916 /nfs/dbraw/zinc/16/89/16/175168916.db2.gz URJXSSBKDMSZIV-CQSZACIVSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccc([C@H](N)c2cccnc2)c(OC)c1 ZINC000011832279 175192642 /nfs/dbraw/zinc/19/26/42/175192642.db2.gz MAKKVORGEZJWIL-CQSZACIVSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccc2c(c1)CCC[C@H]2NC1COC1 ZINC000094710196 175207584 /nfs/dbraw/zinc/20/75/84/175207584.db2.gz SUOGWLIHCZJFFS-CQSZACIVSA-N 0 1 233.311 2.061 10 0 BEAEMN COc1ccc2oc(C3(N)CCC3)nc2c1 ZINC000082981317 175231354 /nfs/dbraw/zinc/23/13/54/175231354.db2.gz SOFJODUIADUNEL-UHFFFAOYSA-N 0 1 218.256 2.174 10 0 BEAEMN COc1ccc2sc([C@@H](C)N)nc2c1 ZINC000082945659 175232571 /nfs/dbraw/zinc/23/25/71/175232571.db2.gz GFORNNHKFRCYLP-ZCFIWIBFSA-N 0 1 208.286 2.325 10 0 BEAEMN COc1cccc(-c2nnc([C@H](C)N)s2)c1 ZINC000083335428 175237558 /nfs/dbraw/zinc/23/75/58/175237558.db2.gz QRQDUPDXLDOLEY-ZETCQYMHSA-N 0 1 235.312 2.233 10 0 BEAEMN COc1cccc(N(C)Cc2ccoc2CN)c1 ZINC000052516720 175274928 /nfs/dbraw/zinc/27/49/28/175274928.db2.gz NUKUAQPQTVJXCO-UHFFFAOYSA-N 0 1 246.310 2.383 10 0 BEAEMN COc1cccc([C@H](C)[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000003745115 175292363 /nfs/dbraw/zinc/29/23/63/175292363.db2.gz XFZPLWGKYXUVIR-GXFFZTMASA-N 0 1 249.310 2.305 10 0 BEAEMN C[C@@H](NCC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000015482359 175866961 /nfs/dbraw/zinc/86/69/61/175866961.db2.gz KXZWKUCSZKTCNO-ZCFIWIBFSA-N 0 1 247.125 2.129 10 0 BEAEMN C[C@@H]1CCCN1Cc1nc(N)ccc1Cl ZINC000061630523 176109967 /nfs/dbraw/zinc/10/99/67/176109967.db2.gz MSNCXILMPFDGCN-MRVPVSSYSA-N 0 1 225.723 2.302 10 0 BEAEMN C[C@@H]1CCC[C@@](CO)(NCc2cscn2)C1 ZINC000053117425 176133532 /nfs/dbraw/zinc/13/35/32/176133532.db2.gz CICZHGLUYNPLFD-ZYHUDNBSSA-N 0 1 240.372 2.174 10 0 BEAEMN C[C@@H](NC1=N[C@H](C)CS1)c1cccnc1 ZINC000035692464 176349196 /nfs/dbraw/zinc/34/91/96/176349196.db2.gz NURRXWLYUJDEIH-RKDXNWHRSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1CC(=O)[O-] ZINC000363259644 176384058 /nfs/dbraw/zinc/38/40/58/176384058.db2.gz PSIFWVVGJXWGNP-PSASIEDQSA-N 0 1 225.313 2.011 10 0 BEAEMN C[C@@H]1C[C@@H]1C[N@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000104413987 176391927 /nfs/dbraw/zinc/39/19/27/176391927.db2.gz CQUXZLQDDNGIOR-RKDXNWHRSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@@H]1C[C@@H]1C[N@@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000104413987 176391928 /nfs/dbraw/zinc/39/19/28/176391928.db2.gz CQUXZLQDDNGIOR-RKDXNWHRSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@H](N)c1nnc(Cc2ccccc2F)s1 ZINC000083337462 176783426 /nfs/dbraw/zinc/78/34/26/176783426.db2.gz QCLSJEFERAYLFY-ZETCQYMHSA-N 0 1 237.303 2.288 10 0 BEAEMN C[C@H]1CCCC[C@@H]1[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000042613700 177080904 /nfs/dbraw/zinc/08/09/04/177080904.db2.gz VPBVSRLICHJPHS-UWVGGRQHSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)[C@H]1C ZINC000050565356 177094531 /nfs/dbraw/zinc/09/45/31/177094531.db2.gz IHSZQBSSNUDUQO-SGMGOOAPSA-N 0 1 246.354 2.333 10 0 BEAEMN C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C(=O)[O-] ZINC000104425462 177197124 /nfs/dbraw/zinc/19/71/24/177197124.db2.gz CFSGGAHSKQEESH-PJSNJIKXSA-N 0 1 239.359 2.464 10 0 BEAEMN C[C@@H]1CN([C@H]2CNc3ccccc3C2)C[C@H](C)O1 ZINC000037761072 177276841 /nfs/dbraw/zinc/27/68/41/177276841.db2.gz HEOWVDLDMRJWBO-MBNYWOFBSA-N 0 1 246.354 2.132 10 0 BEAEMN C[C@@H](NC1=NC[C@H](C)S1)c1ccccn1 ZINC000035695368 177282042 /nfs/dbraw/zinc/28/20/42/177282042.db2.gz XHCFEZHHLYGEEV-DTWKUNHWSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@H]1COC[C@H](C)N1Cc1ccccc1 ZINC000120978274 177299676 /nfs/dbraw/zinc/29/96/76/177299676.db2.gz HSPOZEDSMWQHCR-RYUDHWBXSA-N 0 1 205.301 2.296 10 0 BEAEMN C[C@H]1C[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000052293375 177384610 /nfs/dbraw/zinc/38/46/10/177384610.db2.gz RIXJJWBAZDFADU-IMTBSYHQSA-N 0 1 225.675 2.184 10 0 BEAEMN C[C@H]1Cc2cc(F)c(F)c(F)c2CN1 ZINC000062707487 177388571 /nfs/dbraw/zinc/38/85/71/177388571.db2.gz ZTBWPQNJRCHUEP-YFKPBYRVSA-N 0 1 201.191 2.138 10 0 BEAEMN CC[C@H](N[C@@H]1CCC[C@H]1O)c1nccs1 ZINC000226268178 487694201 /nfs/dbraw/zinc/69/42/01/487694201.db2.gz HTUQMEFOXRLHQE-IVZWLZJFSA-N 0 1 226.345 2.097 10 0 BEAEMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H]2O)s1 ZINC000226272501 487699747 /nfs/dbraw/zinc/69/97/47/487699747.db2.gz BBTXPKPFUISQPG-IVZWLZJFSA-N 0 1 226.345 2.016 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419289 487741899 /nfs/dbraw/zinc/74/18/99/487741899.db2.gz FNULAZXOGDXQNQ-MNOVXSKESA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1CCC[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000300215317 487772283 /nfs/dbraw/zinc/77/22/83/487772283.db2.gz ZHDNNRNPCWHUFQ-KXUCPTDWSA-N 0 1 221.304 2.398 10 0 BEAEMN O=C([O-])C[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000257791591 488089345 /nfs/dbraw/zinc/08/93/45/488089345.db2.gz RKUXQSBOLFLJID-LLVKDONJSA-N 0 1 225.332 2.363 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300224920 487504862 /nfs/dbraw/zinc/50/48/62/487504862.db2.gz PVSAMJHVSMDOLB-WCQYABFASA-N 0 1 227.348 2.464 10 0 BEAEMN Cc1ccc([C@@H]2NCCc3cc(O)ccc32)nc1 ZINC000034737531 487671273 /nfs/dbraw/zinc/67/12/73/487671273.db2.gz JQYAVOCXMLHHQA-OAHLLOKOSA-N 0 1 240.306 2.331 10 0 BEAEMN Cc1cc(CNc2ccc3c(n2)CCC3)on1 ZINC000134293339 488167012 /nfs/dbraw/zinc/16/70/12/488167012.db2.gz VQPUYDDKWHUQEX-UHFFFAOYSA-N 0 1 229.283 2.479 10 0 BEAEMN CC[C@@]1(C)CC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000399281569 488228791 /nfs/dbraw/zinc/22/87/91/488228791.db2.gz BJUQHVPHPJSPHD-AWEZNQCLSA-N 0 1 248.326 2.402 10 0 BEAEMN CCCCN(C)C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000220571977 490236443 /nfs/dbraw/zinc/23/64/43/490236443.db2.gz RRCWJNMPBZDIAW-LLVKDONJSA-N 0 1 249.358 2.082 10 0 BEAEMN CCOC1CC(N[C@@H](C)c2cscn2)C1 ZINC000219280632 490564988 /nfs/dbraw/zinc/56/49/88/490564988.db2.gz FIOSWQAHWXKCQU-IDKOKCKLSA-N 0 1 226.345 2.361 10 0 BEAEMN Cc1cn2c(n1)N[C@H](C(F)(F)F)C[C@H]2C ZINC000235276473 582537178 /nfs/dbraw/zinc/53/71/78/582537178.db2.gz WJQPHLOVNIYWCX-RQJHMYQMSA-N 0 1 219.210 2.499 10 0 BEAEMN CC[N@@H+]1CCC[C@@H]([N-]c2nc(C(C)C)no2)C1 ZINC000180422944 535540424 /nfs/dbraw/zinc/54/04/24/535540424.db2.gz VGFBPSGXVIULQH-SNVBAGLBSA-N 0 1 238.335 2.089 10 0 BEAEMN CC[N@H+]1CCC[C@@H]([N-]c2nc(C(C)C)no2)C1 ZINC000180422944 535540433 /nfs/dbraw/zinc/54/04/33/535540433.db2.gz VGFBPSGXVIULQH-SNVBAGLBSA-N 0 1 238.335 2.089 10 0 BEAEMN CC(C)CC(C(=O)C(F)F)=C(O)C1CC1 ZINC000379790180 582683465 /nfs/dbraw/zinc/68/34/65/582683465.db2.gz FNJPAVZIQPLJHF-MRVPVSSYSA-N 0 1 218.243 2.462 10 0 BEAEMN CC(C)C[N@H+]1CC[C@@H](CC(=O)[O-])[C@H](C)C1 ZINC000252475330 519730278 /nfs/dbraw/zinc/73/02/78/519730278.db2.gz YMFBJRADPJLNIL-MNOVXSKESA-N 0 1 213.321 2.075 10 0 BEAEMN CCCN1CCN(c2ccccc2C(C)=O)CC1 ZINC000019871144 534934298 /nfs/dbraw/zinc/93/42/98/534934298.db2.gz HIVWVWUBPQCUCA-UHFFFAOYSA-N 0 1 246.354 2.421 10 0 BEAEMN c1cc2c(o1)CCN[C@H]2[C@H]1CCCCO1 ZINC000702581440 582927418 /nfs/dbraw/zinc/92/74/18/582927418.db2.gz TUGMPXCBRHFEMD-VXGBXAGGSA-N 0 1 207.273 2.036 10 0 BEAEMN Cc1nc([C@@H](C)N[C@@H]2CCCC[C@@H]2O)cs1 ZINC000051997923 566361011 /nfs/dbraw/zinc/36/10/11/566361011.db2.gz SNRHEXLRHAPONY-UISBYWKRSA-N 0 1 240.372 2.406 10 0 BEAEMN CC(C)[C@H]1CCC[C@@]2(C1)NC1(COC1)CCO2 ZINC000757152566 582537234 /nfs/dbraw/zinc/53/72/34/582537234.db2.gz UTYAVWVNLTYSSW-GXTWGEPZSA-N 0 1 239.359 2.308 10 0 BEAEMN CCc1ccccc1[C@@H]1C[N@@H+](CC)C[C@@H]1C(=O)[O-] ZINC000757189813 582555992 /nfs/dbraw/zinc/55/59/92/582555992.db2.gz KXTOALSYWLWJQZ-KBPBESRZSA-N 0 1 247.338 2.369 10 0 BEAEMN CC(C)CC(C(=O)C(F)F)=C(O)C1CC1 ZINC000379790186 582683418 /nfs/dbraw/zinc/68/34/18/582683418.db2.gz FNJPAVZIQPLJHF-QMMMGPOBSA-N 0 1 218.243 2.462 10 0 BEAEMN CCOCCC(O)=C(C)C(=O)C(C)(C)C ZINC000395492362 583059484 /nfs/dbraw/zinc/05/94/84/583059484.db2.gz ZQKQEYANKQAQES-VIFPVBQESA-N 0 1 214.305 2.233 10 0 BEAEMN Cc1c([C@@H]2NCCc3sccc32)cnn1C ZINC000397261268 583099629 /nfs/dbraw/zinc/09/96/29/583099629.db2.gz ZJAQDBLAXZFDNH-GFCCVEGCSA-N 0 1 233.340 2.025 10 0 BEAEMN C[N@@H+](Cc1cc(F)cc(C(=O)[O-])c1)C1CC1 ZINC000163629099 584945100 /nfs/dbraw/zinc/94/51/00/584945100.db2.gz XEHBDXPBRUBKBR-UHFFFAOYSA-N 0 1 223.247 2.118 10 0 BEAEMN CCOc1cccc(-c2nccc(N)c2N)c1F ZINC000757566131 586306496 /nfs/dbraw/zinc/30/64/96/586306496.db2.gz KXWLITHWJKAECO-UHFFFAOYSA-N 0 1 247.273 2.451 10 0 BEAEMN CCc1ccc([C@@H]2C[N@@H+](CC)C[C@@H]2C(=O)[O-])cc1 ZINC000757187480 586434769 /nfs/dbraw/zinc/43/47/69/586434769.db2.gz GRUGFSGWMKGAOU-KBPBESRZSA-N 0 1 247.338 2.369 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)C1 ZINC000757193334 586436539 /nfs/dbraw/zinc/43/65/39/586436539.db2.gz SLYVMOFQRDZEIB-ZIAGYGMSSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[C@H]1CCC[C@H](NC(=O)c2cnccc2N)C1 ZINC000128044960 590885116 /nfs/dbraw/zinc/88/51/16/590885116.db2.gz GXLXTGZXJUZONS-QWRGUYRKSA-N 0 1 247.342 2.362 10 0 BEAEMN Cc1cc(CNc2nccn2C2CC2)no1 ZINC000235976886 635592502 /nfs/dbraw/zinc/59/25/02/635592502.db2.gz WWLMWXOCUZSRKA-UHFFFAOYSA-N 0 1 218.260 2.127 10 0 BEAEMN O=C([O-])C[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000309319484 633896674 /nfs/dbraw/zinc/89/66/74/633896674.db2.gz AAPWSBCAMCURHH-ODTOEKCJSA-N 0 1 231.723 2.316 10 0 BEAEMN COc1cccc([C@@H](CO)NC/C=C\Cl)c1 ZINC000309916579 633935513 /nfs/dbraw/zinc/93/55/13/633935513.db2.gz PRCVRDPEEZDXFC-GCLPIYDQSA-N 0 1 241.718 2.071 10 0 BEAEMN COc1cccc([C@@H](CO)NC/C=C/Cl)c1 ZINC000309916581 633935818 /nfs/dbraw/zinc/93/58/18/633935818.db2.gz PRCVRDPEEZDXFC-MJRJWQSSSA-N 0 1 241.718 2.071 10 0 BEAEMN C[C@H](O)[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000309952320 633974029 /nfs/dbraw/zinc/97/40/29/633974029.db2.gz GSDZFDZNCZADGZ-IUCAKERBSA-N 0 1 242.388 2.300 10 0 BEAEMN C[C@@H](NCCOC1CCOCC1)c1ccco1 ZINC000053591085 634256053 /nfs/dbraw/zinc/25/60/53/634256053.db2.gz YHWJLMPEWAZPPX-LLVKDONJSA-N 0 1 239.315 2.126 10 0 BEAEMN C[C@H]1CCCN(Cc2nc(CO)cs2)[C@H]1C ZINC000669379639 636576027 /nfs/dbraw/zinc/57/60/27/636576027.db2.gz GOXCLCNSJCBBIA-UWVGGRQHSA-N 0 1 240.372 2.256 10 0 BEAEMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccncc2)C1 ZINC000062877539 641104251 /nfs/dbraw/zinc/10/42/51/641104251.db2.gz IKWRKVOLDYCITC-AWEZNQCLSA-N 0 1 248.326 2.158 10 0 BEAEMN Cn1nccc1C1CCN(C/C=C\Cl)CC1 ZINC000255237986 641181199 /nfs/dbraw/zinc/18/11/99/641181199.db2.gz FLFNERICAMHCMS-KXFIGUGUSA-N 0 1 239.750 2.352 10 0 BEAEMN C[C@H]1OCCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000191242001 641908751 /nfs/dbraw/zinc/90/87/51/641908751.db2.gz PYPYDTRVVCPEIL-YPMHNXCESA-N 0 1 249.310 2.050 10 0 BEAEMN CC/C=C\CC(=O)N1CCN(CC)C(C)(C)C1 ZINC000096791684 642492623 /nfs/dbraw/zinc/49/26/23/642492623.db2.gz KBNLSYIVYAXQQU-FPLPWBNLSA-N 0 1 238.375 2.285 10 0 BEAEMN Cc1cccc(C)c1[C@@H]1C[N@@H+](C)C[C@H]1C(=O)[O-] ZINC000757192400 643365000 /nfs/dbraw/zinc/36/50/00/643365000.db2.gz OFUAAVGNPKKJNG-VXGBXAGGSA-N 0 1 233.311 2.033 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C3CC3)cc2)C1 ZINC000757192544 643365869 /nfs/dbraw/zinc/36/58/69/643365869.db2.gz QNXSMUBJCYSFHF-KGLIPLIRSA-N 0 1 245.322 2.294 10 0 BEAEMN C[N@@H+]1C[C@@H](c2ccc(C3CC3)cc2)[C@H](C(=O)[O-])C1 ZINC000757192565 643365998 /nfs/dbraw/zinc/36/59/98/643365998.db2.gz QNXSMUBJCYSFHF-UONOGXRCSA-N 0 1 245.322 2.294 10 0 BEAEMN CC(C)c1cnc(CN[C@@H](C)[C@H](C)O)s1 ZINC000336773580 643459990 /nfs/dbraw/zinc/45/99/90/643459990.db2.gz YZCVCNZRDLEJIA-IUCAKERBSA-N 0 1 228.361 2.125 10 0 BEAEMN CCC(CC)n1ccc(CNC(C)(C)CO)n1 ZINC000085173052 644434690 /nfs/dbraw/zinc/43/46/90/644434690.db2.gz SPMJMMZQMBBHQZ-UHFFFAOYSA-N 0 1 239.363 2.105 10 0 BEAEMN Cc1cccc([C@@H](O)CN2CC[C@H](F)C2)c1 ZINC000701713951 712027696 /nfs/dbraw/zinc/02/76/96/712027696.db2.gz RKVBDEBMYBPTGT-STQMWFEESA-N 0 1 223.291 2.072 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1nnc(CC)s1 ZINC000702715175 712059707 /nfs/dbraw/zinc/05/97/07/712059707.db2.gz ZOFRUNVWHITGFQ-DTWKUNHWSA-N 0 1 225.361 2.379 10 0 BEAEMN CC(=O)CCN(C)Cc1ccc(F)cc1 ZINC000047979395 712722870 /nfs/dbraw/zinc/72/28/70/712722870.db2.gz NBPONKBKVXODON-UHFFFAOYSA-N 0 1 209.264 2.237 10 0 BEAEMN C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1C(=O)[O-] ZINC000718619099 712773470 /nfs/dbraw/zinc/77/34/70/712773470.db2.gz YQJJLMKDASIMOZ-RKDXNWHRSA-N 0 1 235.274 2.074 10 0 BEAEMN Cn1cnc(CN[C@@H]2CCCCCC2(C)C)n1 ZINC000719285227 712803565 /nfs/dbraw/zinc/80/35/65/712803565.db2.gz HYYYMFKVKMWVML-LLVKDONJSA-N 0 1 236.363 2.264 10 0 BEAEMN CSC1CC(NCc2nccn2C(C)C)C1 ZINC000708309044 711955843 /nfs/dbraw/zinc/95/58/43/711955843.db2.gz ACVQVOJTIHWDLY-UHFFFAOYSA-N 0 1 239.388 2.448 10 0 BEAEMN CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000700466622 711993422 /nfs/dbraw/zinc/99/34/22/711993422.db2.gz CDZFBGOHIWUELZ-GHMZBOCLSA-N 0 1 235.331 2.159 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+]C2(CC(C)C)CC2)n1 ZINC000700474375 711994270 /nfs/dbraw/zinc/99/42/70/711994270.db2.gz YRLBEHRDRQMCBN-UHFFFAOYSA-N 0 1 235.331 2.159 10 0 BEAEMN C=C/C=C\CCN1CCCC[C@H]1C(=O)OC ZINC000713746314 712470999 /nfs/dbraw/zinc/47/09/99/712470999.db2.gz MOAPLIBOXJKBJQ-RXNFCKPNSA-N 0 1 223.316 2.146 10 0 BEAEMN Cc1[nH]nc(CNCc2ccc(C)cn2)c1C ZINC000716454350 712562049 /nfs/dbraw/zinc/56/20/49/712562049.db2.gz CJINHONUMQUJFE-UHFFFAOYSA-N 0 1 230.315 2.020 10 0 BEAEMN O=C([O-])c1ccoc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706324843 977312998 /nfs/dbraw/zinc/31/29/98/977312998.db2.gz IXKVBARZYNTGDK-SSDOTTSWSA-N 0 1 245.225 2.065 10 0 BEAEMN O=C([O-])c1cccc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000689422782 954659837 /nfs/dbraw/zinc/65/98/37/954659837.db2.gz LSIWCWZFZMTGOY-LBPRGKRZSA-N 0 1 237.274 2.319 10 0 BEAEMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000689422782 954659842 /nfs/dbraw/zinc/65/98/42/954659842.db2.gz LSIWCWZFZMTGOY-LBPRGKRZSA-N 0 1 237.274 2.319 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000706732168 954954556 /nfs/dbraw/zinc/95/45/56/954954556.db2.gz KGBAOCSFUOYHQD-VHSXEESVSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000706735706 954955840 /nfs/dbraw/zinc/95/58/40/954955840.db2.gz UGZDEXFEVULWKG-VHSXEESVSA-N 0 1 219.284 2.225 10 0 BEAEMN CC[C@@](C)(C[N@@H+](CC(=O)[O-])CC(C)(C)C)OC ZINC000692122343 968911422 /nfs/dbraw/zinc/91/14/22/968911422.db2.gz HJFXAWDSRYXHHM-ZDUSSCGKSA-N 0 1 245.363 2.234 10 0 BEAEMN C[N@@H+](CCCC(=O)[O-])CCOC1CCCCC1 ZINC000701316937 968985159 /nfs/dbraw/zinc/98/51/59/968985159.db2.gz SCXBMYZUEGKHLG-UHFFFAOYSA-N 0 1 243.347 2.132 10 0 BEAEMN CC[N@@H+](CCOC1CCCCC1)[C@H](C)C(=O)[O-] ZINC000701322672 968986035 /nfs/dbraw/zinc/98/60/35/968986035.db2.gz KVUAXYFSXAZMOS-LLVKDONJSA-N 0 1 243.347 2.131 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000718074701 969098792 /nfs/dbraw/zinc/09/87/92/969098792.db2.gz YMFQZPWTSSPKAQ-ONGXEEELSA-N 0 1 237.299 2.131 10 0 BEAEMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1(C)C ZINC000690239594 976281242 /nfs/dbraw/zinc/28/12/42/976281242.db2.gz HCZHAEIEFMVMSB-UHFFFAOYSA-N 0 1 248.326 2.400 10 0 BEAEMN CC(C)C[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000691547780 976365124 /nfs/dbraw/zinc/36/51/24/976365124.db2.gz MXNSKWYYSHVSNT-LLVKDONJSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000691635892 976379295 /nfs/dbraw/zinc/37/92/95/976379295.db2.gz ZAIFSSWUIGRLDE-MNOVXSKESA-N 0 1 225.332 2.362 10 0 BEAEMN C[N@@H+](Cc1ccsc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000692994785 976556723 /nfs/dbraw/zinc/55/67/23/976556723.db2.gz BATIDMOUYLTHJX-AOOOYVTPSA-N 0 1 225.313 2.043 10 0 BEAEMN Cc1nc(C[N@H+](C)C(C)(C)CC(=O)[O-])cs1 ZINC000694047723 976665059 /nfs/dbraw/zinc/66/50/59/976665059.db2.gz MHIOKANQJQLGJV-UHFFFAOYSA-N 0 1 242.344 2.137 10 0 BEAEMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000701733332 977036485 /nfs/dbraw/zinc/03/64/85/977036485.db2.gz KWGUOZREFCHHJS-VXGBXAGGSA-N 0 1 243.347 2.129 10 0 BEAEMN O=C([O-])c1sccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000701912823 977054150 /nfs/dbraw/zinc/05/41/50/977054150.db2.gz BSVWMQJFMJOUBQ-VIFPVBQESA-N 0 1 243.303 2.380 10 0 BEAEMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H](F)C1 ZINC000701912823 977054155 /nfs/dbraw/zinc/05/41/55/977054155.db2.gz BSVWMQJFMJOUBQ-VIFPVBQESA-N 0 1 243.303 2.380 10 0 BEAEMN Cc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)ccn1 ZINC000703492029 977167116 /nfs/dbraw/zinc/16/71/16/977167116.db2.gz DTDZKPVXYHXGFJ-DGCLKSJQSA-N 0 1 248.326 2.075 10 0 BEAEMN CC[N@@H+](C/C(C)=C/C(=O)[O-])[C@H](C)C(C)C ZINC000706666172 977358614 /nfs/dbraw/zinc/35/86/14/977358614.db2.gz KBXFYVLLKZEOSC-PFEDMVJOSA-N 0 1 213.321 2.384 10 0 BEAEMN O=C([O-])CC1(C[N@H+]2CCC[C@H]2C2CC2)CC1 ZINC000706448045 977324428 /nfs/dbraw/zinc/32/44/28/977324428.db2.gz FZQFINWSUZQAOJ-NSHDSACASA-N 0 1 223.316 2.116 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1C ZINC000706736448 977360768 /nfs/dbraw/zinc/36/07/68/977360768.db2.gz XIOHKVIPBDMWII-IUCAKERBSA-N 0 1 237.274 2.364 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000706745630 977360984 /nfs/dbraw/zinc/36/09/84/977360984.db2.gz XRPACLRSOQPPJJ-IUCAKERBSA-N 0 1 237.274 2.364 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000706774716 977362077 /nfs/dbraw/zinc/36/20/77/977362077.db2.gz NDAOBPKTRYJXOE-BDAKNGLRSA-N 0 1 237.274 2.364 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000706823745 977363084 /nfs/dbraw/zinc/36/30/84/977363084.db2.gz BQZCMMDRXAKUDH-YUMQZZPRSA-N 0 1 223.272 2.126 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](C(F)F)C2)o1 ZINC000707008277 977372510 /nfs/dbraw/zinc/37/25/10/977372510.db2.gz VGMBLLBGWOACTB-ZETCQYMHSA-N 0 1 245.225 2.065 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000707301665 977381787 /nfs/dbraw/zinc/38/17/87/977381787.db2.gz FZCLSYXELDBTBV-SDKXAQGSSA-N 0 1 243.372 2.091 10 0 BEAEMN CC[C@H](C)C[N@@H+](CC)CC1(C(=O)[O-])CC1 ZINC000709492472 977460684 /nfs/dbraw/zinc/46/06/84/977460684.db2.gz AGXYOCWWTQGIHN-JTQLQIEISA-N 0 1 213.321 2.219 10 0 BEAEMN CCCCC[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710128766 977484036 /nfs/dbraw/zinc/48/40/36/977484036.db2.gz FCEBNCUELMQOBN-JQWIXIFHSA-N 0 1 213.321 2.219 10 0 BEAEMN CCC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710240431 977497128 /nfs/dbraw/zinc/49/71/28/977497128.db2.gz ALXXRNDAXSQIHC-NHCYSSNCSA-N 0 1 213.321 2.218 10 0 BEAEMN CCC(CC)C[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710240578 977497391 /nfs/dbraw/zinc/49/73/91/977497391.db2.gz BUHXSOQWTDCVLH-GWCFXTLKSA-N 0 1 227.348 2.465 10 0 BEAEMN C[C@H](c1ccncc1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710319822 977502945 /nfs/dbraw/zinc/50/29/45/977502945.db2.gz MLHZHRRTSXQUAL-WDMOLILDSA-N 0 1 248.326 2.185 10 0 BEAEMN C=C/C=C\CC[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000713711163 977658240 /nfs/dbraw/zinc/65/82/40/977658240.db2.gz QSFCPHSCVQIEHF-VSQXVHSFSA-N 0 1 223.316 2.448 10 0 BEAEMN Cc1ccccc1[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000044117183 985240613 /nfs/dbraw/zinc/24/06/13/985240613.db2.gz AMXSWCZPXBVVIO-GUTXKFCHSA-N 0 1 249.354 2.138 10 0 BEAEMN CCN1CCC(=O)[C@]12C[C@H](C)CC[C@H]2C ZINC000685955093 538899783 /nfs/dbraw/zinc/89/97/83/538899783.db2.gz SUYQGVMPHXQSPK-NQBHXWOUSA-N 0 1 209.333 2.476 10 0 BEAEMN CC(C)C(=O)[C@H](N)[C@@H](C)OCc1ccccc1 ZINC000685961084 538908148 /nfs/dbraw/zinc/90/81/48/538908148.db2.gz BIABTUZMCIHKNJ-DGCLKSJQSA-N 0 1 235.327 2.144 10 0 BEAEMN CC(C)C(=O)[C@H](N)[C@H](C)OCc1ccccc1 ZINC000685961087 538908261 /nfs/dbraw/zinc/90/82/61/538908261.db2.gz BIABTUZMCIHKNJ-WCQYABFASA-N 0 1 235.327 2.144 10 0 BEAEMN Brc1ccn(-c2ccncc2)n1 ZINC000307361939 398138447 /nfs/dbraw/zinc/13/84/47/398138447.db2.gz FSHYWTOUKOZDEI-UHFFFAOYSA-N 0 1 224.061 2.030 10 0 BEAEMN Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)oc1C(=O)[O-] ZINC000049716310 178008307 /nfs/dbraw/zinc/00/83/07/178008307.db2.gz ISVYTYCBJYISJM-VHSXEESVSA-N 0 1 235.283 2.271 10 0 BEAEMN Cc1cc(N)ccc1NC(=O)[C@@H](C)N1CCCC1 ZINC000022153268 178105599 /nfs/dbraw/zinc/10/55/99/178105599.db2.gz KQGKJHKVGKOGJX-LLVKDONJSA-N 0 1 247.342 2.000 10 0 BEAEMN Cc1cc(N)[nH+]cc1-c1csc(C(=O)[O-])c1 ZINC000026459415 178109659 /nfs/dbraw/zinc/10/96/59/178109659.db2.gz MQRYZAHKBAAUOV-UHFFFAOYSA-N 0 1 234.280 2.399 10 0 BEAEMN Cc1cc([C@H](C)NC2COC2)c(C)s1 ZINC000082488368 178245393 /nfs/dbraw/zinc/24/53/93/178245393.db2.gz DBYPCLCVYWHGNY-QMMMGPOBSA-N 0 1 211.330 2.414 10 0 BEAEMN Cc1cc([C@H](C)N[C@@H](C)[C@@H]2CCCO2)no1 ZINC000279555603 178253026 /nfs/dbraw/zinc/25/30/26/178253026.db2.gz JSVSHTWPZAVFRZ-NHCYSSNCSA-N 0 1 224.304 2.201 10 0 BEAEMN Cc1ccc(-c2nc(C(C)(C)N)no2)s1 ZINC000041052820 178333459 /nfs/dbraw/zinc/33/34/59/178333459.db2.gz GWUHBYHMBIYLDF-UHFFFAOYSA-N 0 1 223.301 2.300 10 0 BEAEMN Cc1ccc(-c2nc([C@H](C)N)no2)c(C)c1 ZINC000041052270 178337470 /nfs/dbraw/zinc/33/74/70/178337470.db2.gz MCXDVWAXUFCBNV-VIFPVBQESA-N 0 1 217.272 2.373 10 0 BEAEMN Cc1ccc(-c2c[nH+]c(N)cc2C(=O)[O-])c(F)c1 ZINC000065347365 178329024 /nfs/dbraw/zinc/32/90/24/178329024.db2.gz SNDWQSVNYBBHBJ-UHFFFAOYSA-N 0 1 246.241 2.477 10 0 BEAEMN Cc1ccc(C(=O)CNC2CC2)cc1C ZINC000039105174 178372844 /nfs/dbraw/zinc/37/28/44/178372844.db2.gz XROBSBRZODOXDU-UHFFFAOYSA-N 0 1 203.285 2.238 10 0 BEAEMN Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000189105604 346859285 /nfs/dbraw/zinc/85/92/85/346859285.db2.gz DMNNTTKQPUNLED-CYBMUJFWSA-N 0 1 246.354 2.014 10 0 BEAEMN Cc1ccc(CN2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000189105604 346859290 /nfs/dbraw/zinc/85/92/90/346859290.db2.gz DMNNTTKQPUNLED-CYBMUJFWSA-N 0 1 246.354 2.014 10 0 BEAEMN CCSc1ncc2c(=S)[nH]cnc2n1 ZINC000001595405 342705031 /nfs/dbraw/zinc/70/50/31/342705031.db2.gz HVJPUSHHAIXSEF-UHFFFAOYSA-N 0 1 224.314 2.146 10 0 BEAEMN Cc1nc([C@H](C)N[C@H]2CCC[C@H](O)C2)cs1 ZINC000037166261 538961768 /nfs/dbraw/zinc/96/17/68/538961768.db2.gz MBNVBLHJGAKLOK-LSJOCFKGSA-N 0 1 240.372 2.406 10 0 BEAEMN N=C(c1ccccc1)N(N)c1ccccc1 ZINC000145332643 342760964 /nfs/dbraw/zinc/76/09/64/342760964.db2.gz UUOVEMDVDIRIJV-UHFFFAOYSA-N 0 1 211.268 2.392 10 0 BEAEMN CC[C@@H](N)C(=O)c1ccc(Cl)cc1F ZINC000226542745 342773041 /nfs/dbraw/zinc/77/30/41/342773041.db2.gz WKPRHJMJEGJGNF-SECBINFHSA-N 0 1 215.655 2.399 10 0 BEAEMN Cc1ccnc(NCC[C@H]2CCCO2)c1 ZINC000043561566 538981993 /nfs/dbraw/zinc/98/19/93/538981993.db2.gz IJFPKFBBWXOVDT-LLVKDONJSA-N 0 1 206.289 2.371 10 0 BEAEMN CCOC(=O)c1[nH]c2ccsc2c1C=O ZINC000116935466 342939410 /nfs/dbraw/zinc/93/94/10/342939410.db2.gz DGDAXVWNBKSDHN-UHFFFAOYSA-N 0 1 223.253 2.219 10 0 BEAEMN CCc1c(CN(C)C)ccc(C(C)=O)c1O ZINC000034153967 398343288 /nfs/dbraw/zinc/34/32/88/398343288.db2.gz RFFNJSSDJHMVAL-UHFFFAOYSA-N 0 1 221.300 2.219 10 0 BEAEMN N[C@H](C(=O)OC1CCCC1)C1CCCCC1 ZINC000048632317 343050496 /nfs/dbraw/zinc/05/04/96/343050496.db2.gz YBKIMYUFPVLCQN-LBPRGKRZSA-N 0 1 225.332 2.380 10 0 BEAEMN CC1(C)C[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000259389289 343107287 /nfs/dbraw/zinc/10/72/87/343107287.db2.gz LPJQJQDQBAFSQW-LBPRGKRZSA-N 0 1 233.311 2.372 10 0 BEAEMN Cc1ccc(C)c([C@@H](N)c2cnccn2)c1 ZINC000053303288 178496864 /nfs/dbraw/zinc/49/68/64/178496864.db2.gz BXDXKVQYKWVVFQ-CYBMUJFWSA-N 0 1 213.284 2.142 10 0 BEAEMN CCC[C@](C)(N)c1nc(-c2cccnc2)no1 ZINC000036865014 343325469 /nfs/dbraw/zinc/32/54/69/343325469.db2.gz SECKWRRWZUDEBK-LBPRGKRZSA-N 0 1 232.287 2.106 10 0 BEAEMN COC(=O)CCCCc1cccn2cncc12 ZINC000146324108 343291572 /nfs/dbraw/zinc/29/15/72/343291572.db2.gz AIVKGYJPWSOMBZ-UHFFFAOYSA-N 0 1 232.283 2.220 10 0 BEAEMN Cc1cccc2nc(C[NH2+]C(C)C)[nH]c21 ZINC000043598585 343478621 /nfs/dbraw/zinc/47/86/21/343478621.db2.gz WKPQQRPDLDFTGH-UHFFFAOYSA-N 0 1 203.289 2.369 10 0 BEAEMN NCc1ccc(CCNc2ccccc2)o1 ZINC000059680408 343712154 /nfs/dbraw/zinc/71/21/54/343712154.db2.gz SADPXIDQZKOOKG-UHFFFAOYSA-N 0 1 216.284 2.393 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H]1c1ccc(Cl)cc1 ZINC000212891274 343791692 /nfs/dbraw/zinc/79/16/92/343791692.db2.gz WQDFALBSBODLEE-GXSJLCMTSA-N 0 1 239.702 2.417 10 0 BEAEMN C[C@@H](CO)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000128383484 346981010 /nfs/dbraw/zinc/98/10/10/346981010.db2.gz JQGULXLRORLSKV-SNVBAGLBSA-N 0 1 227.735 2.400 10 0 BEAEMN CCN(CC(C)C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000037112020 537820080 /nfs/dbraw/zinc/82/00/80/537820080.db2.gz SZNBPYYJBKDKBO-UHFFFAOYSA-N 0 1 222.288 2.262 10 0 BEAEMN CC(C)c1n[nH]c(-c2ccoc2)c1CCO ZINC000409439870 343853592 /nfs/dbraw/zinc/85/35/92/343853592.db2.gz JZEGMKQUPCIPFU-UHFFFAOYSA-N 0 1 220.272 2.328 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(F)F)C1 ZINC000409433401 343832623 /nfs/dbraw/zinc/83/26/23/343832623.db2.gz YEEPSCZVBTUDQZ-RKDXNWHRSA-N 0 1 235.274 2.217 10 0 BEAEMN C[N@H+]1C[C@@H](CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000409437629 343842798 /nfs/dbraw/zinc/84/27/98/343842798.db2.gz AKWHEZZITCJFAD-JOYOIKCWSA-N 0 1 225.719 2.325 10 0 BEAEMN OCc1c(C2CCC2)[nH]nc1C1CCOCC1 ZINC000409439638 343848059 /nfs/dbraw/zinc/84/80/59/343848059.db2.gz JGVQNCUHOXEEGK-UHFFFAOYSA-N 0 1 236.315 2.064 10 0 BEAEMN c1cc(-c2[nH]nc3c2CSCC3)ccn1 ZINC000409440485 343852272 /nfs/dbraw/zinc/85/22/72/343852272.db2.gz UBOOFPSGXNUMRQ-UHFFFAOYSA-N 0 1 217.297 2.261 10 0 BEAEMN CCc1n[nH]c(-c2cccs2)c1C(=O)OC ZINC000409442196 343857265 /nfs/dbraw/zinc/85/72/65/343857265.db2.gz XMRIBXSDQFFCIL-UHFFFAOYSA-N 0 1 236.296 2.487 10 0 BEAEMN CC(C)(C)c1cc(=O)n(C[C@H]2CCCO2)[nH]1 ZINC000409441650 343860253 /nfs/dbraw/zinc/86/02/53/343860253.db2.gz ZFQNVNXOMKZQRA-SECBINFHSA-N 0 1 224.304 2.065 10 0 BEAEMN COC[C@@H](C)NCc1ccc(Cl)cc1C#N ZINC000393793860 343928909 /nfs/dbraw/zinc/92/89/09/343928909.db2.gz NPWRHBVNOOEKSS-SECBINFHSA-N 0 1 238.718 2.336 10 0 BEAEMN Cc1ccnc(N)c1[C@H]1CCCC(=O)C1 ZINC000070738000 343954848 /nfs/dbraw/zinc/95/48/48/343954848.db2.gz AIJFSHJIHKNBLU-VIFPVBQESA-N 0 1 204.273 2.199 10 0 BEAEMN CNCc1coc(-c2ccc(Cl)o2)n1 ZINC000234384622 343959307 /nfs/dbraw/zinc/95/93/07/343959307.db2.gz OOFINKLUGSXVNN-UHFFFAOYSA-N 0 1 212.636 2.307 10 0 BEAEMN Cc1nc([C@@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000097941173 347044490 /nfs/dbraw/zinc/04/44/90/347044490.db2.gz KTTTVCQDIAZLKK-ZDUSSCGKSA-N 0 1 242.326 2.450 10 0 BEAEMN CCOCC(N)=NNc1cccc(Cl)c1 ZINC000215549106 344377310 /nfs/dbraw/zinc/37/73/10/344377310.db2.gz XZHRHIZPSRDZKY-UHFFFAOYSA-N 0 1 227.695 2.061 10 0 BEAEMN C[C@@H](C1CC1)[N@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127659532 344584689 /nfs/dbraw/zinc/58/46/89/344584689.db2.gz JPZMVDQGCVWJNP-CABZTGNLSA-N 0 1 211.305 2.114 10 0 BEAEMN CCc1nnsc1[C@@H](N)C1CCCC1 ZINC000158718617 344731240 /nfs/dbraw/zinc/73/12/40/344731240.db2.gz HMFIMUFHBLANBT-VIFPVBQESA-N 0 1 211.334 2.291 10 0 BEAEMN C[C@H](Nc1cccc(Cl)n1)c1nnc[nH]1 ZINC000230430217 344683470 /nfs/dbraw/zinc/68/34/70/344683470.db2.gz LEUKSQWWYDECPY-LURJTMIESA-N 0 1 223.667 2.026 10 0 BEAEMN Cc1ccc([C@H]2NCCc3nc[nH]c32)s1 ZINC000400416052 537856930 /nfs/dbraw/zinc/85/69/30/537856930.db2.gz AOGLCFWAAGAWLD-LLVKDONJSA-N 0 1 219.313 2.015 10 0 BEAEMN CS[C@@H]1CCC[C@@H](N2CCC(=O)CC2)C1 ZINC000235143018 344819112 /nfs/dbraw/zinc/81/91/12/344819112.db2.gz FNMIOEMWSJDBIL-ZYHUDNBSSA-N 0 1 227.373 2.326 10 0 BEAEMN CNc1ccc(Cl)c(CNC(C)C)n1 ZINC000166288642 344842881 /nfs/dbraw/zinc/84/28/81/344842881.db2.gz ACDXISWVENGFBD-UHFFFAOYSA-N 0 1 213.712 2.275 10 0 BEAEMN NCc1nccc(Cl)c1OC(F)(F)F ZINC000238610914 345092195 /nfs/dbraw/zinc/09/21/95/345092195.db2.gz ONGRAGNLKCQVGG-UHFFFAOYSA-N 0 1 226.585 2.092 10 0 BEAEMN C[C@H]1CCCN(c2cc(N)nc(C3CC3)n2)C1 ZINC000126864325 345143375 /nfs/dbraw/zinc/14/33/75/345143375.db2.gz WEVQFEPIPKRNNV-VIFPVBQESA-N 0 1 232.331 2.173 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@H]1c1ccccc1Cl ZINC000250615502 345479401 /nfs/dbraw/zinc/47/94/01/345479401.db2.gz NUOMWGOJVGKZPL-KCJUWKMLSA-N 0 1 239.702 2.417 10 0 BEAEMN C[C@@H](c1ccc[nH]1)[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000253605744 345692286 /nfs/dbraw/zinc/69/22/86/345692286.db2.gz BHBUOQLEZBJNCL-ONGXEEELSA-N 0 1 222.288 2.015 10 0 BEAEMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1 ZINC000205602537 345733758 /nfs/dbraw/zinc/73/37/58/345733758.db2.gz BTHUPHPPFSIVBM-IHRRRGAJSA-N 0 1 245.322 2.372 10 0 BEAEMN C[C@H]1C[C@H](C(F)(F)F)n2ccnc2N1 ZINC000235704729 345784364 /nfs/dbraw/zinc/78/43/64/345784364.db2.gz GQXRHBQJLRNERR-NTSWFWBYSA-N 0 1 205.183 2.191 10 0 BEAEMN Cc1cccc2c1CCN[C@H]2C[NH+]1CCCC1 ZINC000034426620 345832855 /nfs/dbraw/zinc/83/28/55/345832855.db2.gz FUIUUKVILHNGAG-HNNXBMFYSA-N 0 1 230.355 2.278 10 0 BEAEMN CCN(CC)[C@@H](C)C(=O)c1ccc(O)cc1 ZINC000034620245 345838672 /nfs/dbraw/zinc/83/86/72/345838672.db2.gz CXWSBLMBFXWAFW-JTQLQIEISA-N 0 1 221.300 2.305 10 0 BEAEMN C[C@@]1(CCc2ccc(O)cc2)CC(=O)CC(=O)O1 ZINC000143720090 345867071 /nfs/dbraw/zinc/86/70/71/345867071.db2.gz NPOWKJDGPQVIJY-CQSZACIVSA-N 0 1 248.278 2.472 10 0 BEAEMN C[C@H]1CCC[C@H](C)N1N=c1nc[nH]s1 ZINC000148300495 346034963 /nfs/dbraw/zinc/03/49/63/346034963.db2.gz PRMZPKZPZPGXPM-YUMQZZPRSA-N 0 1 212.322 2.128 10 0 BEAEMN Cc1cccc(C(=O)CNC2CC2)c1C ZINC000082531949 179004727 /nfs/dbraw/zinc/00/47/27/179004727.db2.gz FGYNQASDODDAAM-UHFFFAOYSA-N 0 1 203.285 2.238 10 0 BEAEMN N[C@H](c1ccoc1Br)C1=CCCO1 ZINC000236307411 346223307 /nfs/dbraw/zinc/22/33/07/346223307.db2.gz GNLVKTSHYYZJLN-MRVPVSSYSA-N 0 1 244.088 2.346 10 0 BEAEMN Cc1nc(CN)sc1-c1cncs1 ZINC000669379833 537982979 /nfs/dbraw/zinc/98/29/79/537982979.db2.gz HIYLCLZIZFXUNY-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN CC[N@@H+](C)Cc1cc(Cl)cc(C(=O)[O-])c1 ZINC000669380190 537984255 /nfs/dbraw/zinc/98/42/55/537984255.db2.gz USPCJUICACKXNL-UHFFFAOYSA-N 0 1 227.691 2.490 10 0 BEAEMN Cc1cccc(NC[C@H]2CCCC[C@H]2O)n1 ZINC000082997474 179148561 /nfs/dbraw/zinc/14/85/61/179148561.db2.gz KCQHYCATZPRQIU-VXGBXAGGSA-N 0 1 220.316 2.353 10 0 BEAEMN Cc1cc(F)cc(C(=O)[C@@H](N)C(C)C)c1 ZINC000167794996 347167830 /nfs/dbraw/zinc/16/78/30/347167830.db2.gz FPCIGIBJEBAKPV-NSHDSACASA-N 0 1 209.264 2.300 10 0 BEAEMN Cc1[nH]nc2c1c(=O)[nH]c1c(C)cccc21 ZINC000028956954 179225554 /nfs/dbraw/zinc/22/55/54/179225554.db2.gz IYBUCMWWVXTUIA-UHFFFAOYSA-N 0 1 213.240 2.021 10 0 BEAEMN C[C@H]1CCCCN1Cc1csc(N)n1 ZINC000036723495 347446143 /nfs/dbraw/zinc/44/61/43/347446143.db2.gz DKLRVBIDGBAVFB-QMMMGPOBSA-N 0 1 211.334 2.100 10 0 BEAEMN Cc1ccccc1C[N@@H+]1CC=C(C(=O)[O-])CC1 ZINC000049453600 179271680 /nfs/dbraw/zinc/27/16/80/179271680.db2.gz GUGJNWBBVMOWIK-UHFFFAOYSA-N 0 1 231.295 2.212 10 0 BEAEMN Cc1ccccc1CCc1nc([C@@H](C)N)no1 ZINC000051986411 179267850 /nfs/dbraw/zinc/26/78/50/179267850.db2.gz DWSOSQXXLXFNBN-SNVBAGLBSA-N 0 1 231.299 2.183 10 0 BEAEMN Cc1ccccc1CNCc1cncnc1 ZINC000054767902 179283639 /nfs/dbraw/zinc/28/36/39/179283639.db2.gz JMEZVTPBVGBMGA-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN Cc1ccccc1Oc1nccnc1CN ZINC000054378465 179313963 /nfs/dbraw/zinc/31/39/63/179313963.db2.gz OYFFLBWEOLWVDA-UHFFFAOYSA-N 0 1 215.256 2.036 10 0 BEAEMN CCNCc1csnc1OC(C)C ZINC000669381706 537995843 /nfs/dbraw/zinc/99/58/43/537995843.db2.gz SKRMQTOMRQNHQZ-UHFFFAOYSA-N 0 1 200.307 2.040 10 0 BEAEMN Cc1ccccc1[C@H]1NCCn2cccc21 ZINC000032500383 179350447 /nfs/dbraw/zinc/35/04/47/179350447.db2.gz PSKNSMKKAVBFAY-CQSZACIVSA-N 0 1 212.296 2.489 10 0 BEAEMN CC(C)(O)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000121793149 187392803 /nfs/dbraw/zinc/39/28/03/187392803.db2.gz KQJKGQLBIAKPTH-HNNXBMFYSA-N 0 1 249.354 2.005 10 0 BEAEMN C[C@@H]1C[C@]2(CS1)NCC[C@H](C)S2 ZINC000251679711 362897396 /nfs/dbraw/zinc/89/73/96/362897396.db2.gz MHVFYYARFOZKRK-YIZRAAEISA-N 0 1 203.376 2.323 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1C1CCCC1 ZINC000251547299 362886178 /nfs/dbraw/zinc/88/61/78/362886178.db2.gz LSZJWULJOOLQFY-ONGXEEELSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000222029166 349990339 /nfs/dbraw/zinc/99/03/39/349990339.db2.gz OIEYNGLRKAEMRI-VWYCJHECSA-N 0 1 213.321 2.218 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@@H]2C[C@H](c3ccccc3)C[N@H+]2C1 ZINC000725254188 538043754 /nfs/dbraw/zinc/04/37/54/538043754.db2.gz RRBDDUVDLUPNRY-HZSPNIEDSA-N 0 1 245.322 2.339 10 0 BEAEMN Cc1nc(N2CCCCCC2)nc(N)c1C ZINC000045628402 180000476 /nfs/dbraw/zinc/00/04/76/180000476.db2.gz GHNWMXTWTAFTQQ-UHFFFAOYSA-N 0 1 220.320 2.056 10 0 BEAEMN Cc1nc([C@](C)(N)CCc2ccccc2)no1 ZINC000036762483 180057783 /nfs/dbraw/zinc/05/77/83/180057783.db2.gz WBDUWMITPBYJTQ-CYBMUJFWSA-N 0 1 231.299 2.185 10 0 BEAEMN COCC(O)=CC(=O)C(C(C)C)C(C)C ZINC000725257659 538066031 /nfs/dbraw/zinc/06/60/31/538066031.db2.gz VCFXULKXTQEHKG-UHFFFAOYSA-N 0 1 214.305 2.089 10 0 BEAEMN Cc1nc[nH]c1CNCc1cccc(F)c1 ZINC000054794441 180121796 /nfs/dbraw/zinc/12/17/96/180121796.db2.gz CTSABEYKYZKHST-UHFFFAOYSA-N 0 1 219.263 2.147 10 0 BEAEMN CC(C)(C)OC(=O)c1cccc2c1CNCCO2 ZINC000725260885 538084040 /nfs/dbraw/zinc/08/40/40/538084040.db2.gz YXBSPSWTDYLNHO-UHFFFAOYSA-N 0 1 249.310 2.124 10 0 BEAEMN Cc1[nH+]ccn1Cc1cccc(/C=C\C(=O)[O-])c1 ZINC000103377772 180268876 /nfs/dbraw/zinc/26/88/76/180268876.db2.gz MBHWKPZSTOJQPU-WAYWQWQTSA-N 0 1 242.278 2.338 10 0 BEAEMN CCC[NH+](CCC)CC(F)(F)CC(=O)[O-] ZINC000725260668 538083199 /nfs/dbraw/zinc/08/31/99/538083199.db2.gz XTLJONXSTPMFOQ-UHFFFAOYSA-N 0 1 223.263 2.218 10 0 BEAEMN CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H]1C(=O)[O-] ZINC000251859454 362956656 /nfs/dbraw/zinc/95/66/56/362956656.db2.gz SPUJASWARSQWRJ-GMTAPVOTSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1nn(C)cc1Nc1nc(C2CC2)ns1 ZINC000221025011 180377810 /nfs/dbraw/zinc/37/78/10/180377810.db2.gz FIKBLBXDKOKLDI-UHFFFAOYSA-N 0 1 235.316 2.201 10 0 BEAEMN O=c1nc[nH]c2c3cccc(F)c3sc21 ZINC000409423121 350475082 /nfs/dbraw/zinc/47/50/82/350475082.db2.gz OXROLECIYVYOOE-UHFFFAOYSA-N 0 1 220.228 2.277 10 0 BEAEMN CC[N@H+]1CCO[C@@H](c2cccc(C(=O)[O-])c2)CC1 ZINC000616595149 350603191 /nfs/dbraw/zinc/60/31/91/350603191.db2.gz UHHXDRHTQCQSEG-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(=O)Nc1ccccc1[C@H]1CN(C)CCCO1 ZINC000616598605 350676234 /nfs/dbraw/zinc/67/62/34/350676234.db2.gz NXHHJAMIHYWNNB-CQSZACIVSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(=O)Nc1ccccc1[C@H]1CCOCCN1C ZINC000616598978 350698841 /nfs/dbraw/zinc/69/88/41/350698841.db2.gz MZYDBXDYQCZAOD-CQSZACIVSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(C)(C)N1CCCOC[C@@H]1c1ccncn1 ZINC000616598993 350701217 /nfs/dbraw/zinc/70/12/17/350701217.db2.gz GMWCPEDVLBKNHK-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN CC[N@H+]1CCOCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616599252 350739540 /nfs/dbraw/zinc/73/95/40/350739540.db2.gz XMVWRLFSBHESQH-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN c1[nH]nnc1[C@H]1CCCN1Cc1ccccc1 ZINC000616607308 350799987 /nfs/dbraw/zinc/79/99/87/350799987.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 0 1 228.299 2.142 10 0 BEAEMN C[C@@H]1CN(C[C@H]2CCCCS2)CCC1=O ZINC000251864376 350905602 /nfs/dbraw/zinc/90/56/02/350905602.db2.gz STEQYIPNRWLEJQ-GHMZBOCLSA-N 0 1 227.373 2.183 10 0 BEAEMN CCn1ccnc1N[C@H]1CS[C@H](C)C1 ZINC000306746322 350934561 /nfs/dbraw/zinc/93/45/61/350934561.db2.gz JZUUNDXPRAHMHH-RKDXNWHRSA-N 0 1 211.334 2.209 10 0 BEAEMN C[N@@H+](C1CCCC1)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000250432643 350881242 /nfs/dbraw/zinc/88/12/42/350881242.db2.gz RKPWSNFVXQVJNK-GHMZBOCLSA-N 0 1 211.305 2.114 10 0 BEAEMN CCOC(=O)N1CCCC[C@H](c2cnc[nH]2)C1 ZINC000616630407 351102417 /nfs/dbraw/zinc/10/24/17/351102417.db2.gz XIYNRXFYCLSGNY-JTQLQIEISA-N 0 1 237.303 2.136 10 0 BEAEMN CC(C)N1CCOC[C@H]1c1ccc(N)cc1 ZINC000616641555 351148598 /nfs/dbraw/zinc/14/85/98/351148598.db2.gz IQLZMIIYBWPFFX-ZDUSSCGKSA-N 0 1 220.316 2.051 10 0 BEAEMN CN1CCOCC[C@@H]1c1ccccc1F ZINC000616655345 351192673 /nfs/dbraw/zinc/19/26/73/351192673.db2.gz CBXXLXVVBFELLD-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CN1CCCO[C@@H](c2ccccc2F)C1 ZINC000616653578 351193713 /nfs/dbraw/zinc/19/37/13/351193713.db2.gz XXOVRHYXZJQBMN-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CC[N@H+]1CCCOC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000616650185 351173418 /nfs/dbraw/zinc/17/34/18/351173418.db2.gz ZKOIYWNKCVQYOQ-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)N1CCO[C@H](c2cccc(N)c2)C1 ZINC000616648063 351175468 /nfs/dbraw/zinc/17/54/68/351175468.db2.gz NHZIMNANQZPJCC-ZDUSSCGKSA-N 0 1 220.316 2.051 10 0 BEAEMN COc1ccccc1[C@@H]1COCCCN1C ZINC000616649581 351179233 /nfs/dbraw/zinc/17/92/33/351179233.db2.gz LTGLUKAJVBWSIT-LBPRGKRZSA-N 0 1 221.300 2.088 10 0 BEAEMN COc1cccc([C@H]2CN(C)CCCO2)c1 ZINC000616651170 351181559 /nfs/dbraw/zinc/18/15/59/351181559.db2.gz AAOAICJUNNCNKR-CYBMUJFWSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)N1CCOC[C@@H]1c1ccc(N)cc1 ZINC000616636980 351131570 /nfs/dbraw/zinc/13/15/70/351131570.db2.gz IQLZMIIYBWPFFX-CYBMUJFWSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@H](N)c1nc(-c2ccsn2)cs1 ZINC000306825986 351137351 /nfs/dbraw/zinc/13/73/51/351137351.db2.gz YZAUTNJWDJDKQC-YFKPBYRVSA-N 0 1 211.315 2.286 10 0 BEAEMN C[C@@H](N)c1nc(-c2ccsn2)cs1 ZINC000306825985 351137851 /nfs/dbraw/zinc/13/78/51/351137851.db2.gz YZAUTNJWDJDKQC-RXMQYKEDSA-N 0 1 211.315 2.286 10 0 BEAEMN CC[N@H+]1CCc2ccccc2[C@H]1c1c[nH]cn1 ZINC000616679742 351246095 /nfs/dbraw/zinc/24/60/95/351246095.db2.gz NYIZBWDSPVIDGY-AWEZNQCLSA-N 0 1 227.311 2.377 10 0 BEAEMN CCN1CCc2ccccc2[C@H]1c1c[nH]cn1 ZINC000616679742 351246099 /nfs/dbraw/zinc/24/60/99/351246099.db2.gz NYIZBWDSPVIDGY-AWEZNQCLSA-N 0 1 227.311 2.377 10 0 BEAEMN CCN1CCc2ccccc2[C@H]1c1cccnn1 ZINC000616680467 351247997 /nfs/dbraw/zinc/24/79/97/351247997.db2.gz VJRKAJYKUUGBOV-HNNXBMFYSA-N 0 1 239.322 2.444 10 0 BEAEMN CC(C)N1C[C@H](c2c[nH]nn2)Nc2ccccc21 ZINC000616682201 351252751 /nfs/dbraw/zinc/25/27/51/351252751.db2.gz GUJGXNCXCNPSDJ-GFCCVEGCSA-N 0 1 243.314 2.186 10 0 BEAEMN CN1c2ccccc2NC[C@H]1c1cnc[nH]1 ZINC000616686752 351256565 /nfs/dbraw/zinc/25/65/65/351256565.db2.gz RLAJQGVCKHAACB-LBPRGKRZSA-N 0 1 214.272 2.013 10 0 BEAEMN COc1cccc([C@@H]2CCOCCN2C)c1 ZINC000616656888 351197349 /nfs/dbraw/zinc/19/73/49/351197349.db2.gz IXJDKMCHZVNGDI-ZDUSSCGKSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)(C)N1CCOCC[C@@H]1c1cnco1 ZINC000616655654 351200352 /nfs/dbraw/zinc/20/03/52/351200352.db2.gz JVPHICCXSFNWRH-SNVBAGLBSA-N 0 1 224.304 2.237 10 0 BEAEMN C[N@H+]1CCOC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616660497 351204056 /nfs/dbraw/zinc/20/40/56/351204056.db2.gz JDOQZAPJBKKHSX-AWEZNQCLSA-N 0 1 242.322 2.280 10 0 BEAEMN FC(F)[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616659813 351208245 /nfs/dbraw/zinc/20/82/45/351208245.db2.gz IPWKXNVLJJKTCX-LBPRGKRZSA-N 0 1 241.281 2.400 10 0 BEAEMN C[N@H+]1CCOC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616662276 351217841 /nfs/dbraw/zinc/21/78/41/351217841.db2.gz ZXEFIJUTMULGJR-HNNXBMFYSA-N 0 1 242.322 2.280 10 0 BEAEMN CN[C@H](c1ccsn1)[C@@]1(C)C[C@H]1F ZINC000306917432 351328443 /nfs/dbraw/zinc/32/84/43/351328443.db2.gz YANMADMMCCSBLG-HLTSFMKQSA-N 0 1 200.282 2.152 10 0 BEAEMN CC[C@@H](N)C(=O)c1ccc(C)c(F)c1F ZINC000231741116 351279186 /nfs/dbraw/zinc/27/91/86/351279186.db2.gz YXRODIDPFFEMNB-MRVPVSSYSA-N 0 1 213.227 2.193 10 0 BEAEMN C[C@H]1CCCCN1CC(=O)c1ccc[nH]1 ZINC000034989871 351376455 /nfs/dbraw/zinc/37/64/55/351376455.db2.gz TZHHXRNDJWKDKO-JTQLQIEISA-N 0 1 206.289 2.072 10 0 BEAEMN COC(=O)c1cc(F)c(O)cc1Br ZINC000306950896 351378649 /nfs/dbraw/zinc/37/86/49/351378649.db2.gz DBRDXRFNDAVXIZ-UHFFFAOYSA-N 0 1 249.035 2.080 10 0 BEAEMN O=C(CN1CCCCCC1)c1ccc[nH]1 ZINC000307068907 351463552 /nfs/dbraw/zinc/46/35/52/351463552.db2.gz YCBQHFZNESXVBW-UHFFFAOYSA-N 0 1 206.289 2.073 10 0 BEAEMN C[C@H]1CSC[C@]12NCC[C@@H](C)S2 ZINC000307153481 351506744 /nfs/dbraw/zinc/50/67/44/351506744.db2.gz JYUUFYPDMVRQCO-DJLDLDEBSA-N 0 1 203.376 2.181 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000252102327 363064638 /nfs/dbraw/zinc/06/46/38/363064638.db2.gz GLEUJJKLVVLIQL-GMTAPVOTSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H]1NC(=S)Oc2cn(-c3ccccc3)nc21 ZINC000725268566 538100806 /nfs/dbraw/zinc/10/08/06/538100806.db2.gz FGJVLOMTTARREV-MRVPVSSYSA-N 0 1 245.307 2.200 10 0 BEAEMN Cc1nsc([C@]2(N)CCCC[C@H]2C)n1 ZINC000307252612 351771045 /nfs/dbraw/zinc/77/10/45/351771045.db2.gz SPJZSPVPSGKDNQ-XCBNKYQSSA-N 0 1 211.334 2.211 10 0 BEAEMN Cc1nsc([C@]2(N)CCC[C@@H](C)C2)n1 ZINC000307303050 351928526 /nfs/dbraw/zinc/92/85/26/351928526.db2.gz FOUMACPHNXICBC-XCBNKYQSSA-N 0 1 211.334 2.211 10 0 BEAEMN Cc1nnc(-c2cc(Br)oc2C)[nH]1 ZINC000307336925 352055664 /nfs/dbraw/zinc/05/56/64/352055664.db2.gz FOQNQBXQCFBXLV-UHFFFAOYSA-N 0 1 242.076 2.444 10 0 BEAEMN CC(C)n1cnc([C@H]2CCSC2)c1N ZINC000224660820 363112984 /nfs/dbraw/zinc/11/29/84/363112984.db2.gz ZQFQKAKZCGKNKL-QMMMGPOBSA-N 0 1 211.334 2.267 10 0 BEAEMN C[C@@]1([C@@H](N)c2ccsn2)CCCCO1 ZINC000307450633 352601146 /nfs/dbraw/zinc/60/11/46/352601146.db2.gz OVOHYRVKLIASJN-UWVGGRQHSA-N 0 1 212.318 2.102 10 0 BEAEMN C[C@]1([C@H](N)c2ccsn2)CCCCO1 ZINC000307450632 352601368 /nfs/dbraw/zinc/60/13/68/352601368.db2.gz OVOHYRVKLIASJN-NXEZZACHSA-N 0 1 212.318 2.102 10 0 BEAEMN NC1(C(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000307400007 352572047 /nfs/dbraw/zinc/57/20/47/352572047.db2.gz YHICFPFSNQULSI-QMMMGPOBSA-N 0 1 217.259 2.262 10 0 BEAEMN CNCc1nnc(-c2csc(C)c2)s1 ZINC000307589519 352661981 /nfs/dbraw/zinc/66/19/81/352661981.db2.gz FTVNEDJKLARJSF-UHFFFAOYSA-N 0 1 225.342 2.294 10 0 BEAEMN CC[C@](C)(C(C)=O)N1CCSC[C@H]1C ZINC000307618591 352675979 /nfs/dbraw/zinc/67/59/79/352675979.db2.gz ZCKKCZGAIKRQTM-MWLCHTKSSA-N 0 1 215.362 2.181 10 0 BEAEMN OCc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000334191394 352781843 /nfs/dbraw/zinc/78/18/43/352781843.db2.gz JTRWVEFUVHOAOK-UONOGXRCSA-N 0 1 217.312 2.163 10 0 BEAEMN COC(=O)CCCN[C@H](C)c1csc(C)n1 ZINC000037417148 358473345 /nfs/dbraw/zinc/47/33/45/358473345.db2.gz YFDZTZHYBDIDJG-MRVPVSSYSA-N 0 1 242.344 2.055 10 0 BEAEMN O=C(c1c(O)cccc1F)N1C[C@@H]2CCC[C@@H]21 ZINC000334285931 352925769 /nfs/dbraw/zinc/92/57/69/352925769.db2.gz KMDOWSHFUKHCJT-WPRPVWTQSA-N 0 1 235.258 2.156 10 0 BEAEMN Cc1nc(C)c([C@@H]2N[C@H](C)CS2)s1 ZINC000307444264 353076988 /nfs/dbraw/zinc/07/69/88/353076988.db2.gz UROXZLCLRHYNGS-MLUIRONXSA-N 0 1 214.359 2.483 10 0 BEAEMN COC(=O)c1ccc(O)c(F)c1Br ZINC000307464149 353078319 /nfs/dbraw/zinc/07/83/19/353078319.db2.gz HOXGPMQQAWEDAV-UHFFFAOYSA-N 0 1 249.035 2.080 10 0 BEAEMN Nc1ccc(CN2CC=CC2)cc1Cl ZINC000307527202 353080545 /nfs/dbraw/zinc/08/05/45/353080545.db2.gz KHLHXSFWDKVSSD-UHFFFAOYSA-N 0 1 208.692 2.294 10 0 BEAEMN Cc1ccnc(NC[C@H](O)C2CCCC2)c1 ZINC000301667185 188160723 /nfs/dbraw/zinc/16/07/23/188160723.db2.gz XDRGTVVQKAGFKM-LBPRGKRZSA-N 0 1 220.316 2.353 10 0 BEAEMN CC(C)(C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000160184760 353404076 /nfs/dbraw/zinc/40/40/76/353404076.db2.gz XYCSYAIZCNEYRE-UHFFFAOYSA-N 0 1 225.683 2.217 10 0 BEAEMN O=c1[nH]cnc(NC2CCCCC2)c1Cl ZINC000165697658 353461841 /nfs/dbraw/zinc/46/18/41/353461841.db2.gz UAKZBUOEQXJICF-UHFFFAOYSA-N 0 1 227.695 2.168 10 0 BEAEMN CC1(C)C[C@H]1c1ncc(Br)c(=O)[nH]1 ZINC000232825058 353634164 /nfs/dbraw/zinc/63/41/64/353634164.db2.gz VIHMHRHDJOVXQT-YFKPBYRVSA-N 0 1 243.104 2.046 10 0 BEAEMN Cc1cnc(CNCC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000639135464 353845034 /nfs/dbraw/zinc/84/50/34/353845034.db2.gz JTNNZDYWQZIICH-NXEZZACHSA-N 0 1 238.331 2.276 10 0 BEAEMN Cc1cnc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000639135465 353845176 /nfs/dbraw/zinc/84/51/76/353845176.db2.gz JTNNZDYWQZIICH-PEGIJTEDSA-N 0 1 238.331 2.276 10 0 BEAEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1CC=CC1 ZINC000336002529 134047780 /nfs/dbraw/zinc/04/77/80/134047780.db2.gz LBNCUEKFHYQLSD-GXTWGEPZSA-N 0 1 248.370 2.038 10 0 BEAEMN CCOc1ccccc1CN[C@@H]1CC[N@H+](CC)C1 ZINC000389194672 355835664 /nfs/dbraw/zinc/83/56/64/355835664.db2.gz WRWGZKXXSMNWKH-CQSZACIVSA-N 0 1 248.370 2.269 10 0 BEAEMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)o1 ZINC000216490386 356064161 /nfs/dbraw/zinc/06/41/61/356064161.db2.gz FMSCYWCUYFHTCY-NSHDSACASA-N 0 1 225.288 2.273 10 0 BEAEMN C[C@@H]1CN(C[C@@H]2CCCC2(F)F)CCO1 ZINC000336192434 134124354 /nfs/dbraw/zinc/12/43/54/134124354.db2.gz PLDQBSRMIPNWJH-ZJUUUORDSA-N 0 1 219.275 2.143 10 0 BEAEMN Cc1cn2c(n1)[C@H](c1ccccc1)NCCC2 ZINC000675068704 538496826 /nfs/dbraw/zinc/49/68/26/538496826.db2.gz RUQNBBJUCBFONX-ZDUSSCGKSA-N 0 1 227.311 2.274 10 0 BEAEMN CCOc1nc2cc(Cl)cc(N)c2[nH]1 ZINC000160390180 356697609 /nfs/dbraw/zinc/69/76/09/356697609.db2.gz DVBGGELKRCUNAM-UHFFFAOYSA-N 0 1 211.652 2.197 10 0 BEAEMN CC[N@H+]1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000389576291 356994669 /nfs/dbraw/zinc/99/46/69/356994669.db2.gz XCAZPCZVHVQBGY-SECBINFHSA-N 0 1 228.723 2.117 10 0 BEAEMN CCOP(=O)(OCC)[C@]1(C)CCC=[N+]1[O-] ZINC000223788208 357067853 /nfs/dbraw/zinc/06/78/53/357067853.db2.gz UDBVYMDWZYWQCC-SECBINFHSA-N 0 1 236.228 2.235 10 0 BEAEMN CCN(Cc1ncccc1C(=O)OC)CC1CC1 ZINC000302461306 357068581 /nfs/dbraw/zinc/06/85/81/357068581.db2.gz YOMDNQUKYMBBNH-UHFFFAOYSA-N 0 1 248.326 2.100 10 0 BEAEMN Cc1cccc(-c2n[nH]c(-c3cnccn3)n2)c1 ZINC000026507880 357159780 /nfs/dbraw/zinc/15/97/80/357159780.db2.gz RLOOVFGFOHGATO-UHFFFAOYSA-N 0 1 237.266 2.237 10 0 BEAEMN CCc1ccc(CNC[C@@H]2CCC[N@@H+]2C)o1 ZINC000131210886 325125867 /nfs/dbraw/zinc/12/58/67/325125867.db2.gz CUEMXDNHLUYIPG-NSHDSACASA-N 0 1 222.332 2.026 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1C[C@H](O)CC1CCCC1 ZINC000190596500 357712132 /nfs/dbraw/zinc/71/21/32/357712132.db2.gz LJBNTCRSOSAWHN-YRGRVCCFSA-N 0 1 241.375 2.037 10 0 BEAEMN N=C(Cc1ccccc1O)[C@@H]1CCCO1 ZINC000584608097 358268468 /nfs/dbraw/zinc/26/84/68/358268468.db2.gz NZEYIYHITYXUHL-LBPRGKRZSA-N 0 1 205.257 2.133 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@H+]1CCSC(C)(C)CC1 ZINC000231054330 358579654 /nfs/dbraw/zinc/57/96/54/358579654.db2.gz BMVPCEXPAUHWPW-SECBINFHSA-N 0 1 231.361 2.067 10 0 BEAEMN CCCn1cc(C[N@H+]2CCS[C@H](C)C2)cn1 ZINC000131366456 358672003 /nfs/dbraw/zinc/67/20/03/358672003.db2.gz LTBXMBSCFQCZSC-LLVKDONJSA-N 0 1 239.388 2.230 10 0 BEAEMN CCCn1cc(CN2CCS[C@H](C)C2)cn1 ZINC000131366456 358672007 /nfs/dbraw/zinc/67/20/07/358672007.db2.gz LTBXMBSCFQCZSC-LLVKDONJSA-N 0 1 239.388 2.230 10 0 BEAEMN COc1cccc(F)c1[C@@H](C)N[C@@H]1CCOC1 ZINC000135148496 358822294 /nfs/dbraw/zinc/82/22/94/358822294.db2.gz HEUNTEZMGIVPCE-NXEZZACHSA-N 0 1 239.290 2.274 10 0 BEAEMN CN(CC1CCC1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134330768 358786799 /nfs/dbraw/zinc/78/67/99/358786799.db2.gz PBJQWUKWCINYMV-LLVKDONJSA-N 0 1 247.342 2.088 10 0 BEAEMN COc1ccc([C@H](C)NCc2cnc[nH]2)cc1F ZINC000054764735 358872846 /nfs/dbraw/zinc/87/28/46/358872846.db2.gz ZJIPNBGOYXAFSZ-VIFPVBQESA-N 0 1 249.289 2.408 10 0 BEAEMN CC(F)(F)C(=O)c1cnc2[nH]cccc1-2 ZINC000306154782 358941355 /nfs/dbraw/zinc/94/13/55/358941355.db2.gz BOORVCHMEPMABI-UHFFFAOYSA-N 0 1 210.183 2.401 10 0 BEAEMN COCCOCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000246989667 359181756 /nfs/dbraw/zinc/18/17/56/359181756.db2.gz KEKHMIKTZIJABD-DZGCQCFKSA-N 0 1 249.354 2.342 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@H](C)CC[C@H]1C ZINC000247699328 359242508 /nfs/dbraw/zinc/24/25/08/359242508.db2.gz XKDGKNCRQYLFIJ-GHMZBOCLSA-N 0 1 236.363 2.227 10 0 BEAEMN N=C1N[C@@H](c2cc(Cl)sc2Cl)CO1 ZINC000306215281 359323968 /nfs/dbraw/zinc/32/39/68/359323968.db2.gz INMZCYRFZFUYRO-SCSAIBSYSA-N 0 1 237.111 2.441 10 0 BEAEMN COC1([C@@H]2NCCCS2)CCCCC1 ZINC000306240228 359410532 /nfs/dbraw/zinc/41/05/32/359410532.db2.gz KHSXQCMFFMBUKF-SNVBAGLBSA-N 0 1 215.362 2.388 10 0 BEAEMN N[C@@H](c1cn[nH]c1)c1ccsc1Cl ZINC000306270076 359493523 /nfs/dbraw/zinc/49/35/23/359493523.db2.gz NRDGRAMDPDYGPJ-ZETCQYMHSA-N 0 1 213.693 2.173 10 0 BEAEMN CC[C@@H]1CN=C(NCc2cscn2)S1 ZINC000230007505 359806951 /nfs/dbraw/zinc/80/69/51/359806951.db2.gz SESNANHCXREXOP-MRVPVSSYSA-N 0 1 227.358 2.114 10 0 BEAEMN O=C1CCC[C@@H]1N1CCC(C(F)F)CC1 ZINC000306432186 359928657 /nfs/dbraw/zinc/92/86/57/359928657.db2.gz XXOXFRSRXJPOSZ-VIFPVBQESA-N 0 1 217.259 2.085 10 0 BEAEMN Cc1ccc(C)c(CN2CC(O)(C3CC3)C2)c1 ZINC000089679867 360033711 /nfs/dbraw/zinc/03/37/11/360033711.db2.gz ATXRPILDGDYIKR-UHFFFAOYSA-N 0 1 231.339 2.260 10 0 BEAEMN CCC1=NN(CC(F)(F)F)C(=S)C1 ZINC000306471494 360096801 /nfs/dbraw/zinc/09/68/01/360096801.db2.gz ZGOMZCPFXYYSBQ-UHFFFAOYSA-N 0 1 210.224 2.297 10 0 BEAEMN CCC[C@@H](C(=O)Nc1ccc(C)nc1)N(C)C ZINC000092765579 360196044 /nfs/dbraw/zinc/19/60/44/360196044.db2.gz IXQHTEAKLWKYTA-LBPRGKRZSA-N 0 1 235.331 2.059 10 0 BEAEMN C[C@H]1C[C@@H]1c1nc(C(F)F)c(CN)o1 ZINC000306566048 360446185 /nfs/dbraw/zinc/44/61/85/360446185.db2.gz FUWIALVXIWKNGV-WHFBIAKZSA-N 0 1 202.204 2.194 10 0 BEAEMN C[C@@H]1CCN(Cc2ccnc(Cl)n2)[C@@H]1C ZINC000306558717 360432993 /nfs/dbraw/zinc/43/29/93/360432993.db2.gz PPHMVVVDNYLLFZ-RKDXNWHRSA-N 0 1 225.723 2.360 10 0 BEAEMN C[C@H]1CCN(Cc2ccnc(Cl)n2)[C@H]1C ZINC000306558716 360433449 /nfs/dbraw/zinc/43/34/49/360433449.db2.gz PPHMVVVDNYLLFZ-IUCAKERBSA-N 0 1 225.723 2.360 10 0 BEAEMN CCn1ccnc1N[C@@H]1CSC[C@@H]1C ZINC000306582244 360481123 /nfs/dbraw/zinc/48/11/23/360481123.db2.gz PAQOJZBHWIGBSW-DTWKUNHWSA-N 0 1 211.334 2.066 10 0 BEAEMN N[C@H](c1cccs1)c1cccnc1F ZINC000306594438 360512518 /nfs/dbraw/zinc/51/25/18/360512518.db2.gz XJOBEHIINHDRLW-VIFPVBQESA-N 0 1 208.261 2.330 10 0 BEAEMN CC[C@H](N)C(=O)c1c(F)cccc1Cl ZINC000306620754 361232608 /nfs/dbraw/zinc/23/26/08/361232608.db2.gz XUTYHMFMLKJSNH-QMMMGPOBSA-N 0 1 215.655 2.399 10 0 BEAEMN Cc1nc(C)c([C@@H]2NC[C@@H](C)S2)s1 ZINC000306637894 361585534 /nfs/dbraw/zinc/58/55/34/361585534.db2.gz MQRGHSJUQWQQRV-MLUIRONXSA-N 0 1 214.359 2.483 10 0 BEAEMN Nc1cc([C@@H]2CCCN2Cc2ccccc2)[nH]n1 ZINC000038272720 364363119 /nfs/dbraw/zinc/36/31/19/364363119.db2.gz KTPOTSMRJDWAEJ-ZDUSSCGKSA-N 0 1 242.326 2.329 10 0 BEAEMN Cc1cnc(C(C)(C)N[C@@H]2CCOC2)s1 ZINC000134276745 364397095 /nfs/dbraw/zinc/39/70/95/364397095.db2.gz RUWTZENVAHGURM-SECBINFHSA-N 0 1 226.345 2.065 10 0 BEAEMN CC[C@H](C)c1nnc([C@@H](N)C(C)(C)C)[nH]1 ZINC000675060685 541463867 /nfs/dbraw/zinc/46/38/67/541463867.db2.gz LURSKXHDOOSSRV-JGVFFNPUSA-N 0 1 210.325 2.364 10 0 BEAEMN CCc1cn2c(n1)NCC[C@H]2C(F)(F)F ZINC000234177941 541512342 /nfs/dbraw/zinc/51/23/42/541512342.db2.gz IUYWQFDSOFAZFN-ZETCQYMHSA-N 0 1 219.210 2.365 10 0 BEAEMN COC(=O)c1cccnc1CN1CC[C@H](C)[C@@H]1C ZINC000380589990 367248181 /nfs/dbraw/zinc/24/81/81/367248181.db2.gz TWYRQCVSXRFTSK-QWRGUYRKSA-N 0 1 248.326 2.099 10 0 BEAEMN COC(=O)c1cccnc1CN1CC[C@H](C)[C@H]1C ZINC000380589991 367248723 /nfs/dbraw/zinc/24/87/23/367248723.db2.gz TWYRQCVSXRFTSK-WDEREUQCSA-N 0 1 248.326 2.099 10 0 BEAEMN CCN(Cc1nnc(C(C)C)n1C)CC(C)C ZINC000195430843 367360502 /nfs/dbraw/zinc/36/05/02/367360502.db2.gz SRFWWLSWLRYXEC-UHFFFAOYSA-N 0 1 238.379 2.416 10 0 BEAEMN C[C@@H]1CCCCC[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000386916967 368035143 /nfs/dbraw/zinc/03/51/43/368035143.db2.gz CZGHHXATYJQTFY-SECBINFHSA-N 0 1 238.287 2.137 10 0 BEAEMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1Cc2ccccc21 ZINC000090978059 369002851 /nfs/dbraw/zinc/00/28/51/369002851.db2.gz LXRNAHDIJJDTRZ-GFCCVEGCSA-N 0 1 233.311 2.121 10 0 BEAEMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090978152 369002921 /nfs/dbraw/zinc/00/29/21/369002921.db2.gz KCGNKDITBJVVOQ-WFASDCNBSA-N 0 1 245.322 2.123 10 0 BEAEMN O=C([O-])[C@H]1CC[N@H+]1[C@H](c1ccccc1)C1CC1 ZINC000002525584 369005590 /nfs/dbraw/zinc/00/55/90/369005590.db2.gz IGZBEONIJJAHDG-CHWSQXEVSA-N 0 1 231.295 2.297 10 0 BEAEMN C[C@H](N)C(=O)c1cccc(C2CCC2)c1 ZINC000107193041 369334823 /nfs/dbraw/zinc/33/48/23/369334823.db2.gz WSPJWKYHUAKULG-VIFPVBQESA-N 0 1 203.285 2.484 10 0 BEAEMN FC(F)(Br)[C@]1(F)CCCNC1 ZINC000225683759 371566135 /nfs/dbraw/zinc/56/61/35/371566135.db2.gz PLBDPJSTPZCEAD-YFKPBYRVSA-N 0 1 232.043 2.066 10 0 BEAEMN CC[C@]1(C(=O)[O-])CCC[N@H+]1C1CCCC1 ZINC000215633131 371602546 /nfs/dbraw/zinc/60/25/46/371602546.db2.gz QKGRVAIYRPUCDY-GFCCVEGCSA-N 0 1 211.305 2.258 10 0 BEAEMN COc1cc(O)c(Br)c(F)c1 ZINC000216134368 371704483 /nfs/dbraw/zinc/70/44/83/371704483.db2.gz PCNLOJWCHPFNRI-UHFFFAOYSA-N 0 1 221.025 2.302 10 0 BEAEMN C[C@@H](N)c1nc(-c2cncs2)cs1 ZINC000229138935 372122080 /nfs/dbraw/zinc/12/20/80/372122080.db2.gz RUHDJZTYDFEFQM-RXMQYKEDSA-N 0 1 211.315 2.286 10 0 BEAEMN O=C(Cc1csnn1)c1ccc(Cl)cn1 ZINC000307556923 372128857 /nfs/dbraw/zinc/12/88/57/372128857.db2.gz JXKRBLOBKUMJJW-UHFFFAOYSA-N 0 1 239.687 2.012 10 0 BEAEMN C[N@H+]1CCC[C@H]1c1cccc(C(=O)[O-])c1 ZINC000141664397 373007366 /nfs/dbraw/zinc/00/73/66/373007366.db2.gz WSDIEEXAUCMABH-NSHDSACASA-N 0 1 205.257 2.152 10 0 BEAEMN CCn1nccc1[C@@H](N)c1cccs1 ZINC000069024863 373107759 /nfs/dbraw/zinc/10/77/59/373107759.db2.gz AJTKCEFWMREXFN-SNVBAGLBSA-N 0 1 207.302 2.013 10 0 BEAEMN Cc1csc([C@@H](C)NC2=NCCS2)n1 ZINC000070734443 374184086 /nfs/dbraw/zinc/18/40/86/374184086.db2.gz KFEZFEJTSFHFER-SSDOTTSWSA-N 0 1 227.358 2.205 10 0 BEAEMN CC[C@H](NC1=NCCS1)c1nccs1 ZINC000070734378 374184582 /nfs/dbraw/zinc/18/45/82/374184582.db2.gz LSANHRIAOMQPSQ-ZETCQYMHSA-N 0 1 227.358 2.287 10 0 BEAEMN O=C(Nc1ccc(Cl)cn1)c1ncccc1O ZINC000037760629 182354139 /nfs/dbraw/zinc/35/41/39/182354139.db2.gz IHPOPECIDWXEPZ-UHFFFAOYSA-N 0 1 249.657 2.088 10 0 BEAEMN O=C([O-])[C@@H]1CCCC[N@H+]1C1CCCCC1 ZINC000035299410 182507990 /nfs/dbraw/zinc/50/79/90/182507990.db2.gz KXKWMNBEEDWXCL-NSHDSACASA-N 0 1 211.305 2.258 10 0 BEAEMN O=C([O-])c1cc[nH+]c(NCCc2ccsc2)c1 ZINC000049186233 182586461 /nfs/dbraw/zinc/58/64/61/182586461.db2.gz NJFXIKSSPDWLTP-UHFFFAOYSA-N 0 1 248.307 2.496 10 0 BEAEMN O=C1CCNC[C@@H]1Cc1c(F)cccc1Cl ZINC000071550869 182744005 /nfs/dbraw/zinc/74/40/05/182744005.db2.gz JVRSWGOKXNXLKJ-QMMMGPOBSA-N 0 1 241.693 2.200 10 0 BEAEMN OC1(C2CC2)CN(C[C@H]2CCCCC2(F)F)C1 ZINC000336144607 183015576 /nfs/dbraw/zinc/01/55/76/183015576.db2.gz HLIOTQVUJNYXPG-LLVKDONJSA-N 0 1 245.313 2.269 10 0 BEAEMN CCCCc1ccc([C@@H](NC)C(=O)NC)cc1 ZINC000098125942 169022216 /nfs/dbraw/zinc/02/22/16/169022216.db2.gz REOWUULMGSMMEC-CYBMUJFWSA-N 0 1 234.343 2.036 10 0 BEAEMN CCC[N@@H+](CC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000076631379 169099233 /nfs/dbraw/zinc/09/92/33/169099233.db2.gz SMSAUYNKMWRQJR-UHFFFAOYSA-N 0 1 246.310 2.465 10 0 BEAEMN O[C@H]1CN[C@H](c2ccccc2)c2ccccc21 ZINC000082294029 183245998 /nfs/dbraw/zinc/24/59/98/183245998.db2.gz CJDAAEDVKRKQSN-LSDHHAIUSA-N 0 1 225.291 2.413 10 0 BEAEMN Oc1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1 ZINC000000505338 183264470 /nfs/dbraw/zinc/26/44/70/183264470.db2.gz ZVVZHUDPGCGZSZ-UHFFFAOYSA-N 0 1 238.250 2.239 10 0 BEAEMN Oc1ccc(-c2ncon2)cc1Br ZINC000096102575 183265769 /nfs/dbraw/zinc/26/57/69/183265769.db2.gz ZRWYJXLIHYMOMM-UHFFFAOYSA-N 0 1 241.044 2.205 10 0 BEAEMN Oc1cc2cccnc2nc1Br ZINC000040165651 183263105 /nfs/dbraw/zinc/26/31/05/183263105.db2.gz QFGUTBIBSUDJSL-UHFFFAOYSA-N 0 1 225.045 2.098 10 0 BEAEMN c1cc(N[C@H]2CCCSC2)cc2[nH]nnc12 ZINC000134822907 183365394 /nfs/dbraw/zinc/36/53/94/183365394.db2.gz SASYWLVGIYPVPN-VIFPVBQESA-N 0 1 234.328 2.265 10 0 BEAEMN c1cc(N[C@H]2CCCSC2)cc2n[nH]nc12 ZINC000134822907 183365396 /nfs/dbraw/zinc/36/53/96/183365396.db2.gz SASYWLVGIYPVPN-VIFPVBQESA-N 0 1 234.328 2.265 10 0 BEAEMN c1cc([C@@H]2NCCS2)cc2nsnc12 ZINC000033866142 183378030 /nfs/dbraw/zinc/37/80/30/183378030.db2.gz NPNCNJNTFYNOIL-SECBINFHSA-N 0 1 223.326 2.026 10 0 BEAEMN c1cc([C@H]2NCCS2)cc2nsnc12 ZINC000033866143 183378623 /nfs/dbraw/zinc/37/86/23/183378623.db2.gz NPNCNJNTFYNOIL-VIFPVBQESA-N 0 1 223.326 2.026 10 0 BEAEMN c1coc(-c2nc(-c3ccccn3)n[nH]2)c1 ZINC000040174241 183382413 /nfs/dbraw/zinc/38/24/13/183382413.db2.gz NBXZAVVIGNQAKB-UHFFFAOYSA-N 0 1 212.212 2.127 10 0 BEAEMN c1nn(-c2ccccc2)nc1CNC1CCCC1 ZINC000020245923 183386659 /nfs/dbraw/zinc/38/66/59/183386659.db2.gz WGXVZFVSKSCIBD-UHFFFAOYSA-N 0 1 242.326 2.300 10 0 BEAEMN CCCN[C@@H](c1cncnc1)c1ncccc1C ZINC000052887411 169280198 /nfs/dbraw/zinc/28/01/98/169280198.db2.gz JGUMFEPCXPUWMG-AWEZNQCLSA-N 0 1 242.326 2.269 10 0 BEAEMN CCCNc1cc(CN2CCCOCC2)ccn1 ZINC000061933868 169293369 /nfs/dbraw/zinc/29/33/69/169293369.db2.gz HHXQIKVIJQRUDZ-UHFFFAOYSA-N 0 1 249.358 2.126 10 0 BEAEMN CCCNc1cc(C)nc(N2CCCC2)n1 ZINC000050849147 169293460 /nfs/dbraw/zinc/29/34/60/169293460.db2.gz CRLJZDZFSUGAHR-UHFFFAOYSA-N 0 1 220.320 2.207 10 0 BEAEMN CCC[C@@H](C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000019844733 169371781 /nfs/dbraw/zinc/37/17/81/169371781.db2.gz DPLIOVOWBPGNEO-MRVPVSSYSA-N 0 1 208.261 2.380 10 0 BEAEMN CCC[C@@H](N)c1noc(-c2ccoc2C)n1 ZINC000041052564 169394538 /nfs/dbraw/zinc/39/45/38/169394538.db2.gz MUOGVUXVAAUVQL-SECBINFHSA-N 0 1 221.260 2.438 10 0 BEAEMN CCC[C@H](C)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000051322534 169480808 /nfs/dbraw/zinc/48/08/08/169480808.db2.gz IHCHPDPFPPXLMY-QWRGUYRKSA-N 0 1 213.321 2.219 10 0 BEAEMN C[C@@H]1CN(C[C@@]2(C)CCCS2)CCC1=O ZINC000227394248 383855946 /nfs/dbraw/zinc/85/59/46/383855946.db2.gz UEIWRTJUEKZBSP-ZYHUDNBSSA-N 0 1 227.373 2.183 10 0 BEAEMN Cc1ccc(O)c(CN[C@@H](C)c2ccccn2)n1 ZINC000112716255 383945281 /nfs/dbraw/zinc/94/52/81/383945281.db2.gz SPBNHORPDAZLCM-NSHDSACASA-N 0 1 243.310 2.341 10 0 BEAEMN OCC[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000227573824 134385821 /nfs/dbraw/zinc/38/58/21/134385821.db2.gz DIPSMBQTBWQNLS-JTQLQIEISA-N 0 1 241.281 2.169 10 0 BEAEMN C[C@H](NC1=NC[C@@H](C)S1)c1ccco1 ZINC000035739654 384099857 /nfs/dbraw/zinc/09/98/57/384099857.db2.gz YCWMCJFUFYANFM-SFYZADRCSA-N 0 1 210.302 2.422 10 0 BEAEMN Cn1cccc1CN[C@@H]1COc2ccccc21 ZINC000070528251 384117639 /nfs/dbraw/zinc/11/76/39/384117639.db2.gz OUSABQAKKKXWGP-CYBMUJFWSA-N 0 1 228.295 2.248 10 0 BEAEMN CC(C)CCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132534831 384235937 /nfs/dbraw/zinc/23/59/37/384235937.db2.gz DLWDRCXRQQKMGV-LLVKDONJSA-N 0 1 249.358 2.382 10 0 BEAEMN O=Cc1c[nH]c2nccc(N3CCCCC3)c12 ZINC000095938272 384417029 /nfs/dbraw/zinc/41/70/29/384417029.db2.gz ZXHHNBDBFAOBBK-UHFFFAOYSA-N 0 1 229.283 2.366 10 0 BEAEMN CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc([O-])c(Cl)c1 ZINC000054929224 384513561 /nfs/dbraw/zinc/51/35/61/384513561.db2.gz SOBRQEGEWJNKPJ-ZYHUDNBSSA-N 0 1 243.734 2.452 10 0 BEAEMN C[C@@H]1C[C@@H](O)CN(Cc2ccc(F)c(F)c2)C1 ZINC000334745682 384560043 /nfs/dbraw/zinc/56/00/43/384560043.db2.gz IZXDTRCVQWYKAA-MWLCHTKSSA-N 0 1 241.281 2.168 10 0 BEAEMN C[C@@H]([NH3+])c1ccc([O-])c(Br)c1 ZINC000061699366 384670772 /nfs/dbraw/zinc/67/07/72/384670772.db2.gz JSYOICGOTJHSPH-RXMQYKEDSA-N 0 1 216.078 2.174 10 0 BEAEMN C[C@@H](N)c1nnc(-c2cccc(F)c2)s1 ZINC000083320362 384759649 /nfs/dbraw/zinc/75/96/49/384759649.db2.gz GURDHSSPELXLEO-ZCFIWIBFSA-N 0 1 223.276 2.364 10 0 BEAEMN c1nc(C2CCCCC2)n2c1CNCC2 ZINC000083986029 384825154 /nfs/dbraw/zinc/82/51/54/384825154.db2.gz OWTRKYPGJUOXGL-UHFFFAOYSA-N 0 1 205.305 2.034 10 0 BEAEMN CC(C)c1n[nH]c(COc2cccc(N)c2)n1 ZINC000072236681 384841565 /nfs/dbraw/zinc/84/15/65/384841565.db2.gz NHKGCCLQKWGLBP-UHFFFAOYSA-N 0 1 232.287 2.089 10 0 BEAEMN CC(C)c1nc(COc2cccc(N)c2)n[nH]1 ZINC000072236681 384841570 /nfs/dbraw/zinc/84/15/70/384841570.db2.gz NHKGCCLQKWGLBP-UHFFFAOYSA-N 0 1 232.287 2.089 10 0 BEAEMN CC(C)Cc1nc(COc2cccc(N)c2)n[nH]1 ZINC000072236704 384841681 /nfs/dbraw/zinc/84/16/81/384841681.db2.gz KSEMQMVINOOSDY-UHFFFAOYSA-N 0 1 246.314 2.164 10 0 BEAEMN Cc1cc(-c2nc([C@H]3CCCO3)n[nH]2)ccc1N ZINC000072236748 384844312 /nfs/dbraw/zinc/84/43/12/384844312.db2.gz UWXWXMPYROWMNC-LLVKDONJSA-N 0 1 244.298 2.214 10 0 BEAEMN Cc1cc(-c2n[nH]c([C@H]3CCCO3)n2)ccc1N ZINC000072236748 384844316 /nfs/dbraw/zinc/84/43/16/384844316.db2.gz UWXWXMPYROWMNC-LLVKDONJSA-N 0 1 244.298 2.214 10 0 BEAEMN Nc1ccc(O)c(-c2n[nH]c(-c3ccco3)n2)c1 ZINC000072237579 384844996 /nfs/dbraw/zinc/84/49/96/384844996.db2.gz XGIULZCSSSJVLD-UHFFFAOYSA-N 0 1 242.238 2.020 10 0 BEAEMN C[C@H](NCc1cncs1)c1ccncc1 ZINC000054770123 384856046 /nfs/dbraw/zinc/85/60/46/384856046.db2.gz AHUNGTDWQMEIPW-VIFPVBQESA-N 0 1 219.313 2.389 10 0 BEAEMN CN(Cc1ccns1)C[C@@H]1CCC[C@@H](O)C1 ZINC000404384532 384973675 /nfs/dbraw/zinc/97/36/75/384973675.db2.gz ISUJCPXUCMPRHE-GHMZBOCLSA-N 0 1 240.372 2.126 10 0 BEAEMN CN(Cc1ccns1)C[C@H]1CCC[C@H](O)C1 ZINC000404384537 384975333 /nfs/dbraw/zinc/97/53/33/384975333.db2.gz ISUJCPXUCMPRHE-QWRGUYRKSA-N 0 1 240.372 2.126 10 0 BEAEMN C[C@@H]1Cc2cc(F)c(F)c(F)c2CN1 ZINC000062707485 384998122 /nfs/dbraw/zinc/99/81/22/384998122.db2.gz ZTBWPQNJRCHUEP-RXMQYKEDSA-N 0 1 201.191 2.138 10 0 BEAEMN C[C@@H]1C[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000061641160 385128944 /nfs/dbraw/zinc/12/89/44/385128944.db2.gz SMFBZHDZLMMMDZ-BXUZGUMPSA-N 0 1 227.311 2.370 10 0 BEAEMN N[C@H](c1cscn1)c1ccc(F)cc1 ZINC000062354741 385133809 /nfs/dbraw/zinc/13/38/09/385133809.db2.gz CQLFWFXULVGQDZ-JTQLQIEISA-N 0 1 208.261 2.330 10 0 BEAEMN Nc1ccc(C(O)=C2CCCCC2=O)cc1 ZINC000238634207 385261341 /nfs/dbraw/zinc/26/13/41/385261341.db2.gz ANWZGMTWCOJSFA-NSHDSACASA-N 0 1 217.268 2.211 10 0 BEAEMN C[C@@H](N)c1noc(-c2ccc(Cl)s2)n1 ZINC000051173343 385445264 /nfs/dbraw/zinc/44/52/64/385445264.db2.gz LNYHELOBJLKYJK-SCSAIBSYSA-N 0 1 229.692 2.471 10 0 BEAEMN c1cncc(CCN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000172075623 385546512 /nfs/dbraw/zinc/54/65/12/385546512.db2.gz FMSIOIARHLEVPE-GJZGRUSLSA-N 0 1 246.354 2.268 10 0 BEAEMN Cl/C=C/CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182678507 385695129 /nfs/dbraw/zinc/69/51/29/385695129.db2.gz RXIBERVHBYFFGU-HYYFJVDXSA-N 0 1 226.711 2.084 10 0 BEAEMN Clc1cccc(NCCN2CC=CC2)n1 ZINC000307016389 385836010 /nfs/dbraw/zinc/83/60/10/385836010.db2.gz OSHSDOWIXQTPBU-UHFFFAOYSA-N 0 1 223.707 2.019 10 0 BEAEMN O=C([O-])CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006392339 385900227 /nfs/dbraw/zinc/90/02/27/385900227.db2.gz JNYIZIRJPHQNSU-GFCCVEGCSA-N 0 1 234.299 2.083 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1cc(C)n(C)n1 ZINC000414368312 386154879 /nfs/dbraw/zinc/15/48/79/386154879.db2.gz SJYUKQBEUQFQLH-JQWIXIFHSA-N 0 1 207.321 2.007 10 0 BEAEMN Cc1ccc(CNC2=N[C@@H](C)CS2)o1 ZINC000053040798 386200422 /nfs/dbraw/zinc/20/04/22/386200422.db2.gz YVPLJZFBBYTAHH-ZETCQYMHSA-N 0 1 210.302 2.169 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1ncnn1C(C)C ZINC000300385426 386592061 /nfs/dbraw/zinc/59/20/61/386592061.db2.gz NKUSAKOAJWXHMQ-MNOVXSKESA-N 0 1 222.336 2.137 10 0 BEAEMN Cc1nccc(N[C@@H](C)[C@H]2CCCO2)c1Cl ZINC000336646541 386636238 /nfs/dbraw/zinc/63/62/38/386636238.db2.gz DWINAFHUTXXGJV-GZMMTYOYSA-N 0 1 240.734 2.445 10 0 BEAEMN Nc1cncc(Cl)c1NCCC(F)F ZINC000307415097 386645883 /nfs/dbraw/zinc/64/58/83/386645883.db2.gz XKOHUOSYABKLST-UHFFFAOYSA-N 0 1 221.638 2.384 10 0 BEAEMN CC[C@H](O)CN1CCCC[C@H]1c1nccs1 ZINC000246946187 386687321 /nfs/dbraw/zinc/68/73/21/386687321.db2.gz BEMXGWBWSVXCLE-QWRGUYRKSA-N 0 1 240.372 2.441 10 0 BEAEMN COC(=O)[C@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114563960 386878958 /nfs/dbraw/zinc/87/89/58/386878958.db2.gz BYAAEJILIVNOSE-JSGCOSHPSA-N 0 1 237.343 2.370 10 0 BEAEMN C[C@@H]1CCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000334855436 386907131 /nfs/dbraw/zinc/90/71/31/386907131.db2.gz XLFAUAQMAJKAEH-BDAKNGLRSA-N 0 1 221.304 2.311 10 0 BEAEMN Cc1ncsc1-c1cnc(CN)s1 ZINC000575463492 387043727 /nfs/dbraw/zinc/04/37/27/387043727.db2.gz NEQDSSYUGPRVLQ-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN CC(=O)c1c(C=O)cc(O)cc1OC(F)F ZINC000575661845 387104258 /nfs/dbraw/zinc/10/42/58/387104258.db2.gz RTGQBHHYJFNOGX-UHFFFAOYSA-N 0 1 230.166 2.009 10 0 BEAEMN CC[C@H](C)c1[nH+]c2n(c1C(=O)[O-])CCCC2 ZINC000536952643 387165786 /nfs/dbraw/zinc/16/57/86/387165786.db2.gz CWDVIIKVDIBVEN-QMMMGPOBSA-N 0 1 222.288 2.431 10 0 BEAEMN Cc1cc(C=O)c(Br)cc1O ZINC000575692611 387380881 /nfs/dbraw/zinc/38/08/81/387380881.db2.gz JMKQATDMCXFXDG-UHFFFAOYSA-N 0 1 215.046 2.276 10 0 BEAEMN C[C@H]1NCCC[C@@]1(F)c1cncs1 ZINC000575517708 387434548 /nfs/dbraw/zinc/43/45/48/387434548.db2.gz HVRZXNDAOKXSKQ-APPZFPTMSA-N 0 1 200.282 2.080 10 0 BEAEMN NCc1coc(-c2occc2Br)n1 ZINC000575509130 387392811 /nfs/dbraw/zinc/39/28/11/387392811.db2.gz VICKVDPVVHTPNT-UHFFFAOYSA-N 0 1 243.060 2.156 10 0 BEAEMN CC[C@H](O)CN1CCC[C@H]1c1nccs1 ZINC000373952984 387407203 /nfs/dbraw/zinc/40/72/03/387407203.db2.gz AEXIKMFZGIGXKS-UWVGGRQHSA-N 0 1 226.345 2.051 10 0 BEAEMN Cc1nc(CN2CCCC[C@@H](CO)C2)cs1 ZINC000374051146 387414991 /nfs/dbraw/zinc/41/49/91/387414991.db2.gz PVMIVIHHWFTDPO-LLVKDONJSA-N 0 1 240.372 2.046 10 0 BEAEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)C1CC1 ZINC000121805584 387418366 /nfs/dbraw/zinc/41/83/66/387418366.db2.gz FPHHOUADNGTXGL-MRVPVSSYSA-N 0 1 235.331 2.370 10 0 BEAEMN N=c1[nH]oc(C2(C(F)F)CC2)c1Cl ZINC000575532502 387550824 /nfs/dbraw/zinc/55/08/24/387550824.db2.gz WBQUGPMHBNBIPE-UHFFFAOYSA-N 0 1 208.595 2.037 10 0 BEAEMN COC(=O)c1cccnc1CN1[C@H](C)CC[C@H]1C ZINC000459371143 387934344 /nfs/dbraw/zinc/93/43/44/387934344.db2.gz ROOWPVYGBDYKAL-GHMZBOCLSA-N 0 1 248.326 2.241 10 0 BEAEMN C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)c1nnc[nH]1 ZINC000225059960 387940688 /nfs/dbraw/zinc/94/06/88/387940688.db2.gz HWMPAKKHTQDCKP-DTWKUNHWSA-N 0 1 238.335 2.054 10 0 BEAEMN CN(C)[C@@H](CNCC(F)(F)F)c1ccccc1 ZINC000053994422 387975037 /nfs/dbraw/zinc/97/50/37/387975037.db2.gz CARYULKRJBLORG-NSHDSACASA-N 0 1 246.276 2.441 10 0 BEAEMN CC(C)CN(Cc1nnnn1C(C)C)C(C)C ZINC000195067669 388089500 /nfs/dbraw/zinc/08/95/00/388089500.db2.gz RSHCIQUGJPNBLW-UHFFFAOYSA-N 0 1 239.367 2.120 10 0 BEAEMN CCN(Cc1nnnn1C(C)C)[C@H](C)C(C)C ZINC000195432741 388163949 /nfs/dbraw/zinc/16/39/49/388163949.db2.gz YERXKVCTASVXHI-LLVKDONJSA-N 0 1 239.367 2.120 10 0 BEAEMN CC(C)c1noc(CN[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646093545 388141308 /nfs/dbraw/zinc/14/13/08/388141308.db2.gz BYVBFGYKQZUNRM-HBNTYKKESA-N 0 1 235.331 2.471 10 0 BEAEMN N=c1[nH]oc([C@H]2C[C@@H]2C2CC2)c1Br ZINC000575521964 388358221 /nfs/dbraw/zinc/35/82/21/388358221.db2.gz UUVCISASDKYZSD-RITPCOANSA-N 0 1 243.104 2.363 10 0 BEAEMN C[C@@H]1[C@@H](O)CCCN1Cc1cc(F)cc(F)c1 ZINC000294972915 388406834 /nfs/dbraw/zinc/40/68/34/388406834.db2.gz JFRHFBRCQDLBEI-RNCFNFMXSA-N 0 1 241.281 2.310 10 0 BEAEMN Cc1cc(CC(=O)N[C@H](C)c2cccs2)[nH]n1 ZINC000176171685 388450579 /nfs/dbraw/zinc/45/05/79/388450579.db2.gz VSIVVIFBDVFTHG-SECBINFHSA-N 0 1 249.339 2.200 10 0 BEAEMN CCNCc1occc1Br ZINC000069049551 388412785 /nfs/dbraw/zinc/41/27/85/388412785.db2.gz MNIXVDDFBWFCIB-UHFFFAOYSA-N 0 1 204.067 2.152 10 0 BEAEMN COc1ccc(C(=O)c2cccc(O)c2)c(O)c1 ZINC000082308408 388586843 /nfs/dbraw/zinc/58/68/43/388586843.db2.gz DSUXDBQPNJSLPA-UHFFFAOYSA-N 0 1 244.246 2.337 10 0 BEAEMN COC(=O)[C@@]1(C)CCCN1[C@@H]1C=CCCC1 ZINC000249591179 388729218 /nfs/dbraw/zinc/72/92/18/388729218.db2.gz VLBMYUZKGITICV-DGCLKSJQSA-N 0 1 223.316 2.123 10 0 BEAEMN CCC[C@@H](C(=O)OCC)N1CCCSCC1 ZINC000129296811 388829569 /nfs/dbraw/zinc/82/95/69/388829569.db2.gz NJVTWNJPDZXGEC-NSHDSACASA-N 0 1 245.388 2.157 10 0 BEAEMN Cc1cc(N2CCN(C(C)C)CC2)ccc1C=O ZINC000002458234 132314877 /nfs/dbraw/zinc/31/48/77/132314877.db2.gz ZQOUWZLZADLKTE-UHFFFAOYSA-N 0 1 246.354 2.338 10 0 BEAEMN Cc1oncc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336118927 134089529 /nfs/dbraw/zinc/08/95/29/134089529.db2.gz BUKFCQPOIKOUPL-WDEREUQCSA-N 0 1 242.269 2.460 10 0 BEAEMN CCN1CCC[C@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000180422572 134327299 /nfs/dbraw/zinc/32/72/99/134327299.db2.gz NEJVPJWRURDJGG-ZDUSSCGKSA-N 0 1 247.342 2.180 10 0 BEAEMN O[C@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000225346577 134354939 /nfs/dbraw/zinc/35/49/39/134354939.db2.gz QTQOLJKMAZGQLT-SFYZADRCSA-N 0 1 246.763 2.190 10 0 BEAEMN Cc1cnc([C@@H](C)NC[C@@H]2CCSC2)o1 ZINC000226402938 134365709 /nfs/dbraw/zinc/36/57/09/134365709.db2.gz UBQAAFKOXHYLQF-ZJUUUORDSA-N 0 1 226.345 2.387 10 0 BEAEMN OCC[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000227573830 134385491 /nfs/dbraw/zinc/38/54/91/134385491.db2.gz DIPSMBQTBWQNLS-SNVBAGLBSA-N 0 1 241.281 2.169 10 0 BEAEMN COC1CC(N[C@H](C)c2csc(C)n2)C1 ZINC000230675718 135021045 /nfs/dbraw/zinc/02/10/45/135021045.db2.gz HHDFEENXYQCECY-CUUXFQNZSA-N 0 1 226.345 2.280 10 0 BEAEMN Cc1ccc([C@H](C)NC2COC2)cc1F ZINC000087284331 135116893 /nfs/dbraw/zinc/11/68/93/135116893.db2.gz CCEVGMDWXYIEKQ-VIFPVBQESA-N 0 1 209.264 2.184 10 0 BEAEMN Cc1cccc(CC[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000258866414 135135629 /nfs/dbraw/zinc/13/56/29/135135629.db2.gz KOQBNYPJSWORTF-GFCCVEGCSA-N 0 1 235.327 2.190 10 0 BEAEMN C=CCC[N@@H+]1CCC[C@H](CC(=O)[O-])CC1 ZINC000390206249 397882709 /nfs/dbraw/zinc/88/27/09/397882709.db2.gz SLVPQTRVYVDQKZ-NSHDSACASA-N 0 1 211.305 2.139 10 0 BEAEMN CC[C@](C)(O)CN1CCC[C@@H]1c1nccs1 ZINC000372502413 398004608 /nfs/dbraw/zinc/00/46/08/398004608.db2.gz GHIIPXRIYFNDAK-PWSUYJOCSA-N 0 1 240.372 2.441 10 0 BEAEMN CN[C@H](C)c1nc(-c2ccsc2)no1 ZINC000054053226 398019767 /nfs/dbraw/zinc/01/97/67/398019767.db2.gz XGZLAUWYEMGDAB-ZCFIWIBFSA-N 0 1 209.274 2.079 10 0 BEAEMN CN[C@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231995778 397988305 /nfs/dbraw/zinc/98/83/05/397988305.db2.gz JIFQPFSGWLLHPP-MRVPVSSYSA-N 0 1 211.692 2.439 10 0 BEAEMN CNCc1nc(C)c(C(F)(F)F)s1 ZINC000083253357 173395525 /nfs/dbraw/zinc/39/55/25/173395525.db2.gz WVYYHIXFALBHFQ-UHFFFAOYSA-N 0 1 210.224 2.190 10 0 BEAEMN CCCN(Cc1cncnc1)C[C@H]1CCCCO1 ZINC000119559395 487557211 /nfs/dbraw/zinc/55/72/11/487557211.db2.gz KFOBJGBGCLWUPJ-CQSZACIVSA-N 0 1 249.358 2.258 10 0 BEAEMN O=C1[C@H]2CCCC2=NN1c1ccccc1F ZINC000042400565 409841255 /nfs/dbraw/zinc/84/12/55/409841255.db2.gz QREHXOBQOXVQDY-QMMMGPOBSA-N 0 1 218.231 2.328 10 0 BEAEMN O=c1c2c([nH]n1-c1ccccc1F)CCC2 ZINC000042400565 409841262 /nfs/dbraw/zinc/84/12/62/409841262.db2.gz QREHXOBQOXVQDY-QMMMGPOBSA-N 0 1 218.231 2.328 10 0 BEAEMN C=Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000409422747 409995749 /nfs/dbraw/zinc/99/57/49/409995749.db2.gz IGQUDHTXURJJDX-ZDUSSCGKSA-N 0 1 231.295 2.236 10 0 BEAEMN Brc1ccc(Cc2nc[nH]n2)cc1 ZINC000082549087 166097031 /nfs/dbraw/zinc/09/70/31/166097031.db2.gz PQCQQWFMKQFJPN-UHFFFAOYSA-N 0 1 238.088 2.158 10 0 BEAEMN Brc1ccc([C@H]2NCCCO2)cc1 ZINC000049830861 166100009 /nfs/dbraw/zinc/10/00/09/166100009.db2.gz BMAUQJVSPVOCPV-JTQLQIEISA-N 0 1 242.116 2.458 10 0 BEAEMN Brc1ccc([C@H]2CNCO2)s1 ZINC000082547305 166100273 /nfs/dbraw/zinc/10/02/73/166100273.db2.gz IUQWKMZCMQWQSU-RXMQYKEDSA-N 0 1 234.118 2.129 10 0 BEAEMN CC(C)CNCc1nnnn1[C@H](C)CC(C)C ZINC000054745178 167009380 /nfs/dbraw/zinc/00/93/80/167009380.db2.gz RDNQJUCGAQOBOY-LLVKDONJSA-N 0 1 239.367 2.026 10 0 BEAEMN CC(C)NCc1csc([C@H]2CCCO2)n1 ZINC000062214640 167120610 /nfs/dbraw/zinc/12/06/10/167120610.db2.gz JIDKTUWMGVLTIY-SNVBAGLBSA-N 0 1 226.345 2.493 10 0 BEAEMN O=c1c2c([nH]n1Cc1cccc(F)c1)CCC2 ZINC000103887363 410918626 /nfs/dbraw/zinc/91/86/26/410918626.db2.gz PBAUWXBBYODYQM-NSHDSACASA-N 0 1 232.258 2.324 10 0 BEAEMN CC(C)[C@@H](C)N(C)Cc1csc(N)n1 ZINC000036787401 167367762 /nfs/dbraw/zinc/36/77/62/167367762.db2.gz JVZQRUSPVQLIJL-MRVPVSSYSA-N 0 1 213.350 2.202 10 0 BEAEMN CCC[N@@H+](Cc1ncccc1C(=O)[O-])C1CC1 ZINC000304193094 411353148 /nfs/dbraw/zinc/35/31/48/411353148.db2.gz VTOYNOLMFISHPW-UHFFFAOYSA-N 0 1 234.299 2.154 10 0 BEAEMN C[C@@H](CC(=O)[O-])[N@@H+](C)C1CCC(C)CC1 ZINC000042487882 168160202 /nfs/dbraw/zinc/16/02/02/168160202.db2.gz OEKBRCIUQAQCCY-YVNMAJEFSA-N 0 1 213.321 2.360 10 0 BEAEMN CC1CCC(NC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000019476519 168162031 /nfs/dbraw/zinc/16/20/31/168162031.db2.gz QSVBSWVBAMFQRB-UBHUBRDASA-N 0 1 246.354 2.381 10 0 BEAEMN CCC(C)(C)c1nc([C@H](N)C2CC2)no1 ZINC000054404365 168306972 /nfs/dbraw/zinc/30/69/72/168306972.db2.gz OVKDWDPGMOIMDX-MRVPVSSYSA-N 0 1 209.293 2.167 10 0 BEAEMN CCNCC(=O)c1ccc(OC(C)C)c(F)c1 ZINC000071549394 170110369 /nfs/dbraw/zinc/11/03/69/170110369.db2.gz SPICESXWMLHKSR-UHFFFAOYSA-N 0 1 239.290 2.405 10 0 BEAEMN CCN[C@H]1c2ccc(OCC3CC3)cc2NC1=O ZINC000103929033 170149624 /nfs/dbraw/zinc/14/96/24/170149624.db2.gz UBZHGIIABGKCHL-ZDUSSCGKSA-N 0 1 246.310 2.078 10 0 BEAEMN CCN[C@@H](c1cnccn1)c1ccccc1C ZINC000037536053 170149842 /nfs/dbraw/zinc/14/98/42/170149842.db2.gz MGVVGJBRGCLVGX-CQSZACIVSA-N 0 1 227.311 2.484 10 0 BEAEMN CCN[C@@H]1c2ccc(SCC)cc2NC1=O ZINC000102454689 170166122 /nfs/dbraw/zinc/16/61/22/170166122.db2.gz IFZFRFCPMSRDDY-LLVKDONJSA-N 0 1 236.340 2.401 10 0 BEAEMN CCN[C@H]1CC[S@](=O)c2c(F)ccc(F)c21 ZINC000040977585 170168566 /nfs/dbraw/zinc/16/85/66/170168566.db2.gz ICVIFZYIUZIEHH-XXFAHNHDSA-N 0 1 245.294 2.127 10 0 BEAEMN CCN[C@H]1c2c(cc(F)cc2F)O[C@@H]1C ZINC000054932067 170169755 /nfs/dbraw/zinc/16/97/55/170169755.db2.gz LVHJZZCWWDHWDR-KSBSHMNSSA-N 0 1 213.227 2.396 10 0 BEAEMN CCNc1ncccc1CN1CCCO[C@@H](C)C1 ZINC000061933816 170178412 /nfs/dbraw/zinc/17/84/12/170178412.db2.gz RVLPTKRXZMYYGC-LBPRGKRZSA-N 0 1 249.358 2.124 10 0 BEAEMN CCOC(=O)c1cccc2nc(SC)[nH]c21 ZINC000079524732 170299608 /nfs/dbraw/zinc/29/96/08/170299608.db2.gz IEVLSPMLDXKULQ-UHFFFAOYSA-N 0 1 236.296 2.462 10 0 BEAEMN CCOCCCN1Cc2cccc(N)c2C1 ZINC000036683576 170376521 /nfs/dbraw/zinc/37/65/21/170376521.db2.gz UUIZLHAYRXAWES-UHFFFAOYSA-N 0 1 220.316 2.011 10 0 BEAEMN CC[C@@H]1CSC(NCc2ccccn2)=N1 ZINC000035295043 171114063 /nfs/dbraw/zinc/11/40/63/171114063.db2.gz MTYVYCNHRLLQFG-SECBINFHSA-N 0 1 221.329 2.053 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2occc2C)n1 ZINC000041052907 171172696 /nfs/dbraw/zinc/17/26/96/171172696.db2.gz DLBWJHMQSZKKPH-LLVKDONJSA-N 0 1 221.260 2.222 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2cccs2)n1 ZINC000041052947 171172699 /nfs/dbraw/zinc/17/26/99/171172699.db2.gz WLVCAWSYNRENDO-SNVBAGLBSA-N 0 1 223.301 2.382 10 0 BEAEMN CC[C@@](N)(c1noc(C(F)(F)F)n1)C(C)C ZINC000037755142 171192701 /nfs/dbraw/zinc/19/27/01/171192701.db2.gz MKDJPUCEXXQWPI-QMMMGPOBSA-N 0 1 237.225 2.308 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1 ZINC000037374426 171236157 /nfs/dbraw/zinc/23/61/57/171236157.db2.gz IXOOETMRTKJMMR-GFCCVEGCSA-N 0 1 221.300 2.372 10 0 BEAEMN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106423747 171333809 /nfs/dbraw/zinc/33/38/09/171333809.db2.gz BCUFSALWAZWLHP-GXTWGEPZSA-N 0 1 248.370 2.074 10 0 BEAEMN CC[C@H](C)[C@@H](N)c1noc(C(F)(F)F)n1 ZINC000041050420 171372862 /nfs/dbraw/zinc/37/28/62/171372862.db2.gz ZUYQUEAIWDLFDM-CRCLSJGQSA-N 0 1 223.198 2.134 10 0 BEAEMN CC[C@H](C)[C@H](N)c1noc(C(C)(C)C)n1 ZINC000041050414 171397949 /nfs/dbraw/zinc/39/79/49/171397949.db2.gz HPGVFPOMQKQMIV-YUMQZZPRSA-N 0 1 211.309 2.413 10 0 BEAEMN CCc1nc2cc(N)ccc2n1CCCOC ZINC000052852426 172011053 /nfs/dbraw/zinc/01/10/53/172011053.db2.gz KTJGTFZWYHHRCX-UHFFFAOYSA-N 0 1 233.315 2.217 10 0 BEAEMN CCn1cccc1CNCc1cccnc1OC ZINC000091025364 172207849 /nfs/dbraw/zinc/20/78/49/172207849.db2.gz XAHZTBTUDOHFEK-UHFFFAOYSA-N 0 1 245.326 2.201 10 0 BEAEMN CCn1cccc1CN[C@@H](C)c1cn[nH]c1 ZINC000229638311 172209693 /nfs/dbraw/zinc/20/96/93/172209693.db2.gz HEYNQZGNXMLPLL-JTQLQIEISA-N 0 1 218.304 2.082 10 0 BEAEMN CCn1ccnc1CNc1cccc2[nH]ncc21 ZINC000051923836 172226123 /nfs/dbraw/zinc/22/61/23/172226123.db2.gz FCHBQJHXMQRGKD-UHFFFAOYSA-N 0 1 241.298 2.391 10 0 BEAEMN CCn1nc(C)c([C@H](C)NCCF)c1C ZINC000336720710 172248262 /nfs/dbraw/zinc/24/82/62/172248262.db2.gz ZVXKHMWYIGIBBL-QMMMGPOBSA-N 0 1 213.300 2.140 10 0 BEAEMN CCn1ncc(CNCc2cccc(O)c2)c1C ZINC000020352535 172255080 /nfs/dbraw/zinc/25/50/80/172255080.db2.gz SDWCGGNLVXYFHF-UHFFFAOYSA-N 0 1 245.326 2.207 10 0 BEAEMN CN1CCC[C@@H](Nc2ccc(N)cc2Cl)C1 ZINC000040715831 173020580 /nfs/dbraw/zinc/02/05/80/173020580.db2.gz NVTLGWWRYYGBDK-SNVBAGLBSA-N 0 1 239.750 2.428 10 0 BEAEMN CN1CCC[C@H](Nc2ccc(N)cc2Cl)C1 ZINC000040715830 173046747 /nfs/dbraw/zinc/04/67/47/173046747.db2.gz NVTLGWWRYYGBDK-JTQLQIEISA-N 0 1 239.750 2.428 10 0 BEAEMN CNC(C)(C)c1nncn1C1CCCCC1 ZINC000061152130 173320908 /nfs/dbraw/zinc/32/09/08/173320908.db2.gz DDQKARFVIDABQT-UHFFFAOYSA-N 0 1 222.336 2.238 10 0 BEAEMN CNCC(=O)c1cc(Br)ccc1C ZINC000083256256 173334726 /nfs/dbraw/zinc/33/47/26/173334726.db2.gz ODFMWYWIAVPYKP-UHFFFAOYSA-N 0 1 242.116 2.160 10 0 BEAEMN CNCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000082543287 173336009 /nfs/dbraw/zinc/33/60/09/173336009.db2.gz HFDTWKSJBIIBNF-UHFFFAOYSA-N 0 1 217.190 2.108 10 0 BEAEMN CNCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041213871 173336779 /nfs/dbraw/zinc/33/67/79/173336779.db2.gz ZKFRIDJRWWMVKW-UHFFFAOYSA-N 0 1 205.301 2.386 10 0 BEAEMN CNCc1csc(N2CCCCCC2)n1 ZINC000062214938 173394066 /nfs/dbraw/zinc/39/40/66/173394066.db2.gz CNCKFBXFPMNFOS-UHFFFAOYSA-N 0 1 225.361 2.243 10 0 BEAEMN CNCc1nc(C)cc(-c2ccccc2)n1 ZINC000070947488 173394516 /nfs/dbraw/zinc/39/45/16/173394516.db2.gz DJXJQKXVIBJVRP-UHFFFAOYSA-N 0 1 213.284 2.171 10 0 BEAEMN CNCc1ncc(-c2cccc(F)c2)o1 ZINC000077299365 173397526 /nfs/dbraw/zinc/39/75/26/173397526.db2.gz ZSOGMRPBOKVMQB-UHFFFAOYSA-N 0 1 206.220 2.200 10 0 BEAEMN CNCc1ncc(-c2cc(C)ccc2OC)o1 ZINC000077362831 173398150 /nfs/dbraw/zinc/39/81/50/173398150.db2.gz YYWQHUDPEZFQBC-UHFFFAOYSA-N 0 1 232.283 2.378 10 0 BEAEMN CN[C@H](C)C(=O)c1ccc(Br)s1 ZINC000071562656 173445554 /nfs/dbraw/zinc/44/55/54/173445554.db2.gz WPSQRGYXQZFAGF-RXMQYKEDSA-N 0 1 248.145 2.301 10 0 BEAEMN COCCC[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000043477231 174248389 /nfs/dbraw/zinc/24/83/89/174248389.db2.gz HRUPNRHTUOPJFS-UHFFFAOYSA-N 0 1 229.707 2.172 10 0 BEAEMN COc1ccc(C(=O)C2(N)CCCC2)cc1 ZINC000011630607 175053023 /nfs/dbraw/zinc/05/30/23/175053023.db2.gz QDJADLZVPMRJNS-UHFFFAOYSA-N 0 1 219.284 2.149 10 0 BEAEMN COc1ccc(C(=O)[C@@H](N)C(C)C)cc1F ZINC000036161633 175065223 /nfs/dbraw/zinc/06/52/23/175065223.db2.gz MCYZVRKKNOOUIF-NSHDSACASA-N 0 1 225.263 2.000 10 0 BEAEMN COc1ccc(C)c2c(N)cc(C)nc12 ZINC000050869470 175070562 /nfs/dbraw/zinc/07/05/62/175070562.db2.gz KCXWEEIMVLMASN-UHFFFAOYSA-N 0 1 202.257 2.442 10 0 BEAEMN COc1ccc(N)cc1-c1nnc(C(C)(C)C)[nH]1 ZINC000072237628 175137908 /nfs/dbraw/zinc/13/79/08/175137908.db2.gz VGNAYPPOJRODPN-UHFFFAOYSA-N 0 1 246.314 2.360 10 0 BEAEMN COc1ccc([C@@H](N)c2ccccn2)cc1OC ZINC000011737317 175180259 /nfs/dbraw/zinc/18/02/59/175180259.db2.gz LZQHYXPVNAAMKX-CQSZACIVSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccc2c(c1)[nH+]c(C)cc2OCC(=O)[O-] ZINC000053994663 175205774 /nfs/dbraw/zinc/20/57/74/175205774.db2.gz UERDBHCJFSJIFR-UHFFFAOYSA-N 0 1 247.250 2.015 10 0 BEAEMN COc1cccc(-c2c[nH+]c(N)cc2C(=O)[O-])c1 ZINC000065347340 175235203 /nfs/dbraw/zinc/23/52/03/175235203.db2.gz DQUNHAGOLSUFQM-UHFFFAOYSA-N 0 1 244.250 2.038 10 0 BEAEMN COc1cccc(C(=O)[C@H]2CCCCN2)c1 ZINC000071521300 175246882 /nfs/dbraw/zinc/24/68/82/175246882.db2.gz HWMBGNZYSJIYGT-GFCCVEGCSA-N 0 1 219.284 2.020 10 0 BEAEMN COc1cccc(C(=O)[C@@H](C)NC2CC2)c1 ZINC000077328340 175247478 /nfs/dbraw/zinc/24/74/78/175247478.db2.gz NZEIXVJRHQTEFF-SECBINFHSA-N 0 1 219.284 2.018 10 0 BEAEMN COc1cccc(OCc2ccc(CN)o2)c1 ZINC000041260448 175284216 /nfs/dbraw/zinc/28/42/16/175284216.db2.gz SHDPUKBJCMILPK-UHFFFAOYSA-N 0 1 233.267 2.326 10 0 BEAEMN COc1cccc([C@H](N)c2cccnc2)c1OC ZINC000041656117 175295316 /nfs/dbraw/zinc/29/53/16/175295316.db2.gz JMYADHFEQKSJJS-CYBMUJFWSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1ccccc1CN(C)C[C@H]1CCCC1=O ZINC000053929410 175324967 /nfs/dbraw/zinc/32/49/67/175324967.db2.gz UKOXRJVYOBCAKO-GFCCVEGCSA-N 0 1 247.338 2.496 10 0 BEAEMN COc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003745073 175344997 /nfs/dbraw/zinc/34/49/97/175344997.db2.gz YJUPZGMOVUGUGP-ZYHUDNBSSA-N 0 1 249.310 2.305 10 0 BEAEMN COc1ccccc1[C@@H](N)c1cncc(F)c1 ZINC000049576104 175347511 /nfs/dbraw/zinc/34/75/11/175347511.db2.gz GFYPKHVYGDHJNU-ZDUSSCGKSA-N 0 1 232.258 2.277 10 0 BEAEMN COc1ccccc1[C@H](C)NCc1cn[nH]c1 ZINC000038005886 175352326 /nfs/dbraw/zinc/35/23/26/175352326.db2.gz VOASWHRTFTVPRG-JTQLQIEISA-N 0 1 231.299 2.269 10 0 BEAEMN CSc1cncc(OC2CC2)c1N(C)C ZINC000095733362 175586018 /nfs/dbraw/zinc/58/60/18/175586018.db2.gz HDQKWCFWRCIHOR-UHFFFAOYSA-N 0 1 224.329 2.411 10 0 BEAEMN C[C@@H](C1CC1)N(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000035207420 175634166 /nfs/dbraw/zinc/63/41/66/175634166.db2.gz WBPLTAQASMNFFY-QMMMGPOBSA-N 0 1 220.272 2.015 10 0 BEAEMN C[C@@H](OC(=O)[C@H]1CCCN1)c1ccccc1 ZINC000040430516 176001412 /nfs/dbraw/zinc/00/14/12/176001412.db2.gz AYPYSUHQDDSYHI-ZYHUDNBSSA-N 0 1 219.284 2.043 10 0 BEAEMN C[C@@H](c1ccco1)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000082249683 176033011 /nfs/dbraw/zinc/03/30/11/176033011.db2.gz IICQAJHHVLYTTL-VHSXEESVSA-N 0 1 223.272 2.280 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1OCc1cc(CN)no1 ZINC000052620766 176082289 /nfs/dbraw/zinc/08/22/89/176082289.db2.gz NWGNYMKUKYXGMQ-SKDRFNHKSA-N 0 1 224.304 2.229 10 0 BEAEMN C[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)[C@@H]1C ZINC000050565353 176094609 /nfs/dbraw/zinc/09/46/09/176094609.db2.gz IHSZQBSSNUDUQO-YRGRVCCFSA-N 0 1 246.354 2.333 10 0 BEAEMN C[C@@H]1CCC[C@H]([N@@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491631 176140246 /nfs/dbraw/zinc/14/02/46/176140246.db2.gz ONCPVNNTQCZBQF-ZJUUUORDSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H](N)c1nc(C(=O)OC(C)(C)C)cs1 ZINC000075845128 176779127 /nfs/dbraw/zinc/77/91/27/176779127.db2.gz BNNPZALWIXJUJT-LURJTMIESA-N 0 1 228.317 2.118 10 0 BEAEMN C[C@H](OCc1cc(CN)no1)c1ccccc1 ZINC000052624136 177021741 /nfs/dbraw/zinc/02/17/41/177021741.db2.gz MEJSYEZGMFDSQO-JTQLQIEISA-N 0 1 232.283 2.411 10 0 BEAEMN C[C@H](Oc1nccnc1CN)c1ccccc1 ZINC000054378536 177025548 /nfs/dbraw/zinc/02/55/48/177025548.db2.gz JQVSNWKOENDOGE-JTQLQIEISA-N 0 1 229.283 2.075 10 0 BEAEMN C[C@H](c1ccco1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000082249715 177048439 /nfs/dbraw/zinc/04/84/39/177048439.db2.gz IKQFBOLXUTZYBN-ZJUUUORDSA-N 0 1 223.272 2.137 10 0 BEAEMN C[C@H](c1ccco1)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000082249684 177048554 /nfs/dbraw/zinc/04/85/54/177048554.db2.gz IICQAJHHVLYTTL-NXEZZACHSA-N 0 1 223.272 2.280 10 0 BEAEMN C[C@H]1CCCCN1CC(=O)Nc1cccc(N)c1 ZINC000019775342 177073794 /nfs/dbraw/zinc/07/37/94/177073794.db2.gz FPBPFEWBJQOLJF-NSHDSACASA-N 0 1 247.342 2.082 10 0 BEAEMN C[C@H]1CCCCN1CC(=O)NC1CCCCC1 ZINC000014193865 177074009 /nfs/dbraw/zinc/07/40/09/177074009.db2.gz KLJGBIIWKRZDBF-LBPRGKRZSA-N 0 1 238.375 2.310 10 0 BEAEMN C[C@H]1CCCC[C@@]1(N)C(=O)OC1CCCC1 ZINC000041038379 177085216 /nfs/dbraw/zinc/08/52/16/177085216.db2.gz VULPFLCAHVPPSV-GWCFXTLKSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@H]1CCCC[C@@]1(N)c1noc(C(F)(F)F)n1 ZINC000036765002 177085332 /nfs/dbraw/zinc/08/53/32/177085332.db2.gz RIATYVIFUOZEIP-RCOVLWMOSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@H]1CCCC[C@H]1OC(=O)C1(N)CCCC1 ZINC000048633466 177089222 /nfs/dbraw/zinc/08/92/22/177089222.db2.gz WREUVQMIXRTCTA-WDEREUQCSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182893 177104256 /nfs/dbraw/zinc/10/42/56/177104256.db2.gz RSDUOPSSOFBCBW-JTQLQIEISA-N 0 1 234.299 2.012 10 0 BEAEMN C[C@H]1CCCN1Cc1nc2cc(N)ccc2[nH]1 ZINC000037909980 177110904 /nfs/dbraw/zinc/11/09/04/177110904.db2.gz UIRAMKWDYXREAV-VIFPVBQESA-N 0 1 230.315 2.129 10 0 BEAEMN C[C@@H]1CCC[C@H](C)N1Cc1csc(N)n1 ZINC000036732536 177117085 /nfs/dbraw/zinc/11/70/85/177117085.db2.gz KPFGMCHNMGXYOG-DTORHVGOSA-N 0 1 225.361 2.488 10 0 BEAEMN C[C@H]1CCC[C@H]([N@@H+](C)C/C=C/C(=O)[O-])C1 ZINC000051859729 177133918 /nfs/dbraw/zinc/13/39/18/177133918.db2.gz JYMDVABOMXLBFM-UHDIHKPFSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@H]1CCC[C@](N)(c2noc(C(F)(F)F)n2)C1 ZINC000036764990 177143885 /nfs/dbraw/zinc/14/38/85/177143885.db2.gz FSRANNAZECSADK-IMTBSYHQSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@H]1CCN(Cc2nc(N)ccc2Cl)C1 ZINC000061631514 177168158 /nfs/dbraw/zinc/16/81/58/177168158.db2.gz CZEDTKBVYSCNPO-QMMMGPOBSA-N 0 1 225.723 2.159 10 0 BEAEMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc2c(c1)CCN2 ZINC000035787384 177263164 /nfs/dbraw/zinc/26/31/64/177263164.db2.gz NPESQTQTMNNHGD-NEPJUHHUSA-N 0 1 246.354 2.264 10 0 BEAEMN C[C@H]1CN(Cc2cnn3ccccc23)CCS1 ZINC000179432358 177269963 /nfs/dbraw/zinc/26/99/63/177269963.db2.gz DCYUCUHLLSLKMH-NSHDSACASA-N 0 1 247.367 2.272 10 0 BEAEMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000062182872 177315347 /nfs/dbraw/zinc/31/53/47/177315347.db2.gz SKRRLCRUOIEQSA-PHIMTYICSA-N 0 1 248.326 2.258 10 0 BEAEMN C[C@H]1C[C@@H](c2ccsc2)C[N@H+]1CC(=O)[O-] ZINC000363259646 177339231 /nfs/dbraw/zinc/33/92/31/177339231.db2.gz PSIFWVVGJXWGNP-WCBMZHEXSA-N 0 1 225.313 2.011 10 0 BEAEMN C[C@H]1C[C@@H]1C[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000104414006 177342914 /nfs/dbraw/zinc/34/29/14/177342914.db2.gz FEDGUVHBSDDSSN-DTWKUNHWSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@H]1C[C@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000134057341 177381973 /nfs/dbraw/zinc/38/19/73/177381973.db2.gz SXNSEWCPMHQJEH-RYUDHWBXSA-N 0 1 242.326 2.013 10 0 BEAEMN Cc1cccc(N2N=C3CCC[C@H]3C2=O)c1 ZINC000104707277 487713103 /nfs/dbraw/zinc/71/31/03/487713103.db2.gz UTNUGKKEQCEOOG-LLVKDONJSA-N 0 1 214.268 2.498 10 0 BEAEMN Cc1cccc(-n2[nH]c3c(c2=O)CCC3)c1 ZINC000104707277 487713109 /nfs/dbraw/zinc/71/31/09/487713109.db2.gz UTNUGKKEQCEOOG-LLVKDONJSA-N 0 1 214.268 2.498 10 0 BEAEMN C1[C@@H]2C[C@@H](c3nc([C@H]4CCCN4)no3)C[C@H]12 ZINC000251208501 487750270 /nfs/dbraw/zinc/75/02/70/487750270.db2.gz LBLXQAQYULCOCA-UTINFBMNSA-N 0 1 219.288 2.008 10 0 BEAEMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000387040632 487906012 /nfs/dbraw/zinc/90/60/12/487906012.db2.gz USAOQURATJUSOT-DTORHVGOSA-N 0 1 238.287 2.136 10 0 BEAEMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000387040632 487906018 /nfs/dbraw/zinc/90/60/18/487906018.db2.gz USAOQURATJUSOT-DTORHVGOSA-N 0 1 238.287 2.136 10 0 BEAEMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000302449686 487964605 /nfs/dbraw/zinc/96/46/05/487964605.db2.gz XGVFBNDKLHFNPG-MNOVXSKESA-N 0 1 248.326 2.400 10 0 BEAEMN CC[C@H](NCc1cccc(C)n1)c1cnn(C)c1 ZINC000127205103 324754145 /nfs/dbraw/zinc/75/41/45/324754145.db2.gz FLHXCKFXIDCLCN-AWEZNQCLSA-N 0 1 244.342 2.364 10 0 BEAEMN Cc1nnc(CN[C@@H](C)C2(C)CC2)s1 ZINC000134719355 325373327 /nfs/dbraw/zinc/37/33/27/325373327.db2.gz QWDVOCRGHWDJRO-ZETCQYMHSA-N 0 1 211.334 2.125 10 0 BEAEMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000124755301 490401652 /nfs/dbraw/zinc/40/16/52/490401652.db2.gz GSWWBRRLOOYXJR-DCAQKATOSA-N 0 1 223.320 2.018 10 0 BEAEMN CC[C@H](C)C(=O)c1nc(C)c(CN)s1 ZINC000757124938 582500224 /nfs/dbraw/zinc/50/02/24/582500224.db2.gz RLYGYNLXSUCLEZ-LURJTMIESA-N 0 1 212.318 2.139 10 0 BEAEMN C[C@@H]1CCC[C@@]2(CC1)NC1(COC1)CCO2 ZINC000757151946 582536256 /nfs/dbraw/zinc/53/62/56/582536256.db2.gz UHFKCQRWVIQDGJ-DGCLKSJQSA-N 0 1 225.332 2.062 10 0 BEAEMN CCC[C@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000249889315 535588832 /nfs/dbraw/zinc/58/88/32/535588832.db2.gz QDTGXEBUSUEDHD-STQMWFEESA-N 0 1 238.375 2.119 10 0 BEAEMN Cc1ccc(-c2noc([C@@H]3CCCCN3)n2)n1C ZINC000229003127 525884512 /nfs/dbraw/zinc/88/45/12/525884512.db2.gz FNVVJKKKBXQQNH-JTQLQIEISA-N 0 1 246.314 2.198 10 0 BEAEMN Cc1ccc(-c2noc([C@H]3CCCCN3)n2)n1C ZINC000229003144 525886637 /nfs/dbraw/zinc/88/66/37/525886637.db2.gz FNVVJKKKBXQQNH-SNVBAGLBSA-N 0 1 246.314 2.198 10 0 BEAEMN CCOC(=O)[C@@]1(C)CCc2n[nH]c(CC)c2C1 ZINC000504725017 527932724 /nfs/dbraw/zinc/93/27/24/527932724.db2.gz MGONPSCCVUCPSR-ZDUSSCGKSA-N 0 1 236.315 2.030 10 0 BEAEMN CCCN1CCN(c2ccc(C=O)cc2)CC1 ZINC000020079144 534933187 /nfs/dbraw/zinc/93/31/87/534933187.db2.gz PWAYCDIFWBVFBX-UHFFFAOYSA-N 0 1 232.327 2.031 10 0 BEAEMN C[C@@H]1CCC[C@]2(CC1)NC1(COC1)CCO2 ZINC000757151955 582536159 /nfs/dbraw/zinc/53/61/59/582536159.db2.gz UHFKCQRWVIQDGJ-YPMHNXCESA-N 0 1 225.332 2.062 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](C)C[C@@H]2C(F)(F)F ZINC000235704703 582604644 /nfs/dbraw/zinc/60/46/44/582604644.db2.gz OOQNSERUCVUAMU-CAHLUQPWSA-N 0 1 219.210 2.499 10 0 BEAEMN FC(F)[C@H]1CCNc2nc3c(n21)CCCC3 ZINC000236129121 582639661 /nfs/dbraw/zinc/63/96/61/582639661.db2.gz TZCUJNZLNPNXFO-SECBINFHSA-N 0 1 227.258 2.384 10 0 BEAEMN COc1cccc(-c2nccc(N)c2N)c1F ZINC000757569531 586366298 /nfs/dbraw/zinc/36/62/98/586366298.db2.gz WVBWQGGHLWEIOL-UHFFFAOYSA-N 0 1 233.246 2.061 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2cc(C)ccc2C)[C@H](C(=O)[O-])C1 ZINC000757183165 586433703 /nfs/dbraw/zinc/43/37/03/586433703.db2.gz CAZPCLFWGFMMHE-UONOGXRCSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2cc(C)ccc2C)C1 ZINC000757183161 586433785 /nfs/dbraw/zinc/43/37/85/586433785.db2.gz CAZPCLFWGFMMHE-KBPBESRZSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C)cc2)C1 ZINC000757193677 586436347 /nfs/dbraw/zinc/43/63/47/586436347.db2.gz UGCFXVSZZYCOQK-OLZOCXBDSA-N 0 1 233.311 2.115 10 0 BEAEMN CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000757193928 586436589 /nfs/dbraw/zinc/43/65/89/586436589.db2.gz WYOBYKMACIDBNI-QWHCGFSZSA-N 0 1 233.311 2.195 10 0 BEAEMN Cc1nnc(CN[C@@H](C)CC(C)C)s1 ZINC000134719654 591948139 /nfs/dbraw/zinc/94/81/39/591948139.db2.gz WNMKKRGYMMDLIY-QMMMGPOBSA-N 0 1 213.350 2.371 10 0 BEAEMN Cc1nnc([C@@H](C)N[C@H]2CCCSC2)s1 ZINC000135009734 591972581 /nfs/dbraw/zinc/97/25/81/591972581.db2.gz LAVGHVCSDPQBLS-APPZFPTMSA-N 0 1 243.401 2.393 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NCc1ncc(Cl)n1C ZINC000300389583 592510215 /nfs/dbraw/zinc/51/02/15/592510215.db2.gz SERPZODMCRUMHD-BDAKNGLRSA-N 0 1 227.739 2.352 10 0 BEAEMN CC(C)(C)C(=O)CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000054026605 635327267 /nfs/dbraw/zinc/32/72/67/635327267.db2.gz LPMRUMHPDGNHPA-NWDGAFQWSA-N 0 1 239.359 2.245 10 0 BEAEMN Cc1cn2c(n1)NCC[C@@H]2C(F)(F)F ZINC000235919712 631530406 /nfs/dbraw/zinc/53/04/06/631530406.db2.gz AAVSWIMUHDAAEW-ZCFIWIBFSA-N 0 1 205.183 2.111 10 0 BEAEMN CC(C)[C@@H]([NH3+])c1ccc([O-])c(F)c1F ZINC000095671607 636053238 /nfs/dbraw/zinc/05/32/38/636053238.db2.gz VKMMJGFBHJBNSB-SNVBAGLBSA-N 0 1 201.216 2.326 10 0 BEAEMN c1ccc2c(c1)CC[C@@H]2NCc1cncnc1 ZINC000054767084 640407045 /nfs/dbraw/zinc/40/70/45/640407045.db2.gz HJXAYFBJNSRDKB-AWEZNQCLSA-N 0 1 225.295 2.254 10 0 BEAEMN C[C@H](NCc1cncnc1)c1cccs1 ZINC000054767144 640409478 /nfs/dbraw/zinc/40/94/78/640409478.db2.gz OTXVJASWRZYQTE-VIFPVBQESA-N 0 1 219.313 2.389 10 0 BEAEMN C[C@H](c1cccc(Cl)c1)N(C)[C@@H](C)C(N)=O ZINC000062017024 641015216 /nfs/dbraw/zinc/01/52/16/641015216.db2.gz LZERGYSUKJRHIJ-BDAKNGLRSA-N 0 1 240.734 2.207 10 0 BEAEMN c1cc(CNCc2ccc3c(c2)OCO3)co1 ZINC000062103311 641020172 /nfs/dbraw/zinc/02/01/72/641020172.db2.gz AYLXPMAAWJHYII-UHFFFAOYSA-N 0 1 231.251 2.298 10 0 BEAEMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(C)C)C1 ZINC000062877543 641105457 /nfs/dbraw/zinc/10/54/57/641105457.db2.gz XETVGBANRZQJNN-LBPRGKRZSA-N 0 1 213.321 2.219 10 0 BEAEMN OC[C@@H]1NCCOc2c(Cl)cc(Cl)cc21 ZINC000675074457 641324656 /nfs/dbraw/zinc/32/46/56/641324656.db2.gz XQRODNOAWWGEMY-VIFPVBQESA-N 0 1 248.109 2.009 10 0 BEAEMN C[C@@H]1C[C@@H](C(F)(F)F)Nc2nccn21 ZINC000235276517 642417273 /nfs/dbraw/zinc/41/72/73/642417273.db2.gz SJMNUMNAEJSRIU-RITPCOANSA-N 0 1 205.183 2.191 10 0 BEAEMN Cc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000075991898 642933821 /nfs/dbraw/zinc/93/38/21/642933821.db2.gz UYECARDCPCPLCP-STQMWFEESA-N 0 1 233.311 2.033 10 0 BEAEMN C[C@H]1C[C@H](C(F)(F)F)Nc2nccn21 ZINC000235591384 643441434 /nfs/dbraw/zinc/44/14/34/643441434.db2.gz SJMNUMNAEJSRIU-NTSWFWBYSA-N 0 1 205.183 2.191 10 0 BEAEMN Nc1ccc([C@@H]2CCn3ccnc3N2)cc1 ZINC000236394090 643664583 /nfs/dbraw/zinc/66/45/83/643664583.db2.gz HWOMPYRANOBZBS-NSHDSACASA-N 0 1 214.272 2.022 10 0 BEAEMN COc1cc(C)c(NCc2cnc[nH]2)cc1OC ZINC000054764656 643674525 /nfs/dbraw/zinc/67/45/25/643674525.db2.gz GOXYJICYYKECAD-UHFFFAOYSA-N 0 1 247.298 2.347 10 0 BEAEMN CCn1c(C)nnc1CN1CCCCCCC1 ZINC000195011704 644354642 /nfs/dbraw/zinc/35/46/42/644354642.db2.gz AMVCAADYSCXUNT-UHFFFAOYSA-N 0 1 236.363 2.373 10 0 BEAEMN CCC[C@@H](C)N1CCc2sc(CN)nc2C1 ZINC000709754603 712217716 /nfs/dbraw/zinc/21/77/16/712217716.db2.gz KMNUBQMZVOKQIA-SECBINFHSA-N 0 1 239.388 2.149 10 0 BEAEMN COCC1CC(NCc2ncc(Cl)s2)C1 ZINC000714007612 712477535 /nfs/dbraw/zinc/47/75/35/712477535.db2.gz MPTHSFZBCRDHSS-UHFFFAOYSA-N 0 1 246.763 2.311 10 0 BEAEMN C[C@@H](O)[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC000705553848 711906283 /nfs/dbraw/zinc/90/62/83/711906283.db2.gz GNLYZDGRNFBGFQ-NKWVEPMBSA-N 0 1 249.688 2.477 10 0 BEAEMN CC[N@@H+](C[C@H](C)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000707952704 712174151 /nfs/dbraw/zinc/17/41/51/712174151.db2.gz XMQUSJNOLMRGTL-VHSXEESVSA-N 0 1 215.337 2.464 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000378685634 712357427 /nfs/dbraw/zinc/35/74/27/712357427.db2.gz CEVRIZKLMGHXOW-MXWKQRLJSA-N 0 1 225.332 2.360 10 0 BEAEMN CCN1CC[C@H]1CNc1nccnc1C(C)C ZINC000712590682 712435138 /nfs/dbraw/zinc/43/51/38/712435138.db2.gz FAFKZVYIXRLZTH-NSHDSACASA-N 0 1 234.347 2.106 10 0 BEAEMN C[C@@H](NCc1cn[nH]c1)c1ccc2c(c1)CCO2 ZINC000038006369 712798697 /nfs/dbraw/zinc/79/86/97/712798697.db2.gz OFDJMPQJZGXMSL-SNVBAGLBSA-N 0 1 243.310 2.195 10 0 BEAEMN CC(C)(C)c1nc(C2(N)CCCCC2)no1 ZINC000036764756 1166175673 /nfs/dbraw/zinc/17/56/73/1166175673.db2.gz OCBYBBBAAGVSBS-UHFFFAOYSA-N 0 1 223.320 2.485 10 0 BEAEMN Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)oc1C(=O)[O-] ZINC000706912046 977367999 /nfs/dbraw/zinc/36/79/99/977367999.db2.gz CYKFINDLRMNMHI-BDAKNGLRSA-N 0 1 223.272 2.126 10 0 BEAEMN CC(C)C1(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000687530405 954617932 /nfs/dbraw/zinc/61/79/32/954617932.db2.gz VHALDBVOQOGSNH-NWDGAFQWSA-N 0 1 239.359 2.465 10 0 BEAEMN CC(C)(C)C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC000692598359 954702669 /nfs/dbraw/zinc/70/26/69/954702669.db2.gz AIFSGWWCONPITI-UHFFFAOYSA-N 0 1 241.253 2.372 10 0 BEAEMN CC[C@@H](SCCCn1cc[nH+]c1C)C(=O)[O-] ZINC000699505759 954850404 /nfs/dbraw/zinc/85/04/04/954850404.db2.gz SQZLMRMPMBGNEY-SNVBAGLBSA-N 0 1 242.344 2.178 10 0 BEAEMN C[C@]12CCCC[C@H]1C[N@H+]2CCCC(=O)[O-] ZINC000706032074 954943551 /nfs/dbraw/zinc/94/35/51/954943551.db2.gz MIJBSAJHCXFLCU-JQWIXIFHSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)[C@H]1C ZINC000706917556 954959569 /nfs/dbraw/zinc/95/95/69/954959569.db2.gz QSZWBELAISXFPO-YUMQZZPRSA-N 0 1 225.313 2.287 10 0 BEAEMN CC[N@@H+](CCC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000707956731 954988229 /nfs/dbraw/zinc/98/82/29/954988229.db2.gz JWURHKOMBCCQDR-VIFPVBQESA-N 0 1 201.310 2.218 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708533929 955000656 /nfs/dbraw/zinc/00/06/56/955000656.db2.gz YTORCKJTTQYYJZ-VHSXEESVSA-N 0 1 213.321 2.218 10 0 BEAEMN C[N@@H+](CCCC(=O)[O-])Cc1cncc(Cl)c1 ZINC000702657807 968996663 /nfs/dbraw/zinc/99/66/63/968996663.db2.gz VJCVEOXHDQBURN-UHFFFAOYSA-N 0 1 242.706 2.032 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706339650 969014438 /nfs/dbraw/zinc/01/44/38/969014438.db2.gz AMWLEBFOFGMBDL-BDAKNGLRSA-N 0 1 235.274 2.073 10 0 BEAEMN C[C@@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](C)[C@H]1C ZINC000399815010 973242038 /nfs/dbraw/zinc/24/20/38/973242038.db2.gz YDPURPAEGSDAOW-VWYCJHECSA-N 0 1 227.348 2.464 10 0 BEAEMN CC(C)C1(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC000687536498 976145276 /nfs/dbraw/zinc/14/52/76/976145276.db2.gz AFJPAJICXWTNMF-NWDGAFQWSA-N 0 1 239.359 2.465 10 0 BEAEMN CC(C)OCCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000690408616 976290188 /nfs/dbraw/zinc/29/01/88/976290188.db2.gz JHJFMAYCQUQVEE-GFCCVEGCSA-N 0 1 243.347 2.131 10 0 BEAEMN C[C@@H]1CCC[C@@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628038 976377590 /nfs/dbraw/zinc/37/75/90/976377590.db2.gz LAFNUKPNKPQDAX-GHMZBOCLSA-N 0 1 225.332 2.362 10 0 BEAEMN C[N@H+](C/C(Cl)=C\Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693008662 976563003 /nfs/dbraw/zinc/56/30/03/976563003.db2.gz KTWMYISEQGLFOO-ZOMJGMAFSA-N 0 1 238.114 2.100 10 0 BEAEMN C[N@@H+](C/C(Cl)=C\Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693008662 976563016 /nfs/dbraw/zinc/56/30/16/976563016.db2.gz KTWMYISEQGLFOO-ZOMJGMAFSA-N 0 1 238.114 2.100 10 0 BEAEMN C[N@@H+](C[C@H]1CCC(C)(C)O1)C(C)(C)CC(=O)[O-] ZINC000694075746 976666087 /nfs/dbraw/zinc/66/60/87/976666087.db2.gz TXQQWSGGHLNMRM-SNVBAGLBSA-N 0 1 243.347 2.129 10 0 BEAEMN CC(C)[C@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000694571828 976701096 /nfs/dbraw/zinc/70/10/96/976701096.db2.gz UJSPMCMKAQVFKA-NSHDSACASA-N 0 1 225.332 2.219 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1ccns1 ZINC000695068428 976773547 /nfs/dbraw/zinc/77/35/47/976773547.db2.gz FZPFDKZGGLYSMJ-SNVBAGLBSA-N 0 1 242.344 2.074 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccns1 ZINC000695068428 976773559 /nfs/dbraw/zinc/77/35/59/976773559.db2.gz FZPFDKZGGLYSMJ-SNVBAGLBSA-N 0 1 242.344 2.074 10 0 BEAEMN Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1C(=O)[O-] ZINC000701818792 977043947 /nfs/dbraw/zinc/04/39/47/977043947.db2.gz VUAQUOPCKZKSQA-YPMHNXCESA-N 0 1 231.295 2.287 10 0 BEAEMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCCC2)ccn1 ZINC000703493619 977167053 /nfs/dbraw/zinc/16/70/53/977167053.db2.gz WBWWTVLFIPSSJB-UHFFFAOYSA-N 0 1 248.326 2.219 10 0 BEAEMN O=C([O-])c1occc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706325595 977312715 /nfs/dbraw/zinc/31/27/15/977312715.db2.gz LNKQGGOIGQGGEB-MRVPVSSYSA-N 0 1 245.225 2.065 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000706745624 977360323 /nfs/dbraw/zinc/36/03/23/977360323.db2.gz XRPACLRSOQPPJJ-BDAKNGLRSA-N 0 1 237.274 2.364 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC000706774719 977361691 /nfs/dbraw/zinc/36/16/91/977361691.db2.gz NDAOBPKTRYJXOE-RKDXNWHRSA-N 0 1 237.274 2.364 10 0 BEAEMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000706823742 977362863 /nfs/dbraw/zinc/36/28/63/977362863.db2.gz BQZCMMDRXAKUDH-HTQZYQBOSA-N 0 1 223.272 2.126 10 0 BEAEMN O=C([O-])c1occc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706933293 977368918 /nfs/dbraw/zinc/36/89/18/977368918.db2.gz BTNWLUHTJIRTJG-ONGXEEELSA-N 0 1 235.283 2.352 10 0 BEAEMN Cc1ccc(NCc2ncc(C(=O)[O-])s2)[nH+]c1 ZINC000720666528 978054309 /nfs/dbraw/zinc/05/43/09/978054309.db2.gz UKFWBNJSSYYUKU-UHFFFAOYSA-N 0 1 249.295 2.157 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@@H+](Cc1ccoc1)C1CC1 ZINC000723722509 978216535 /nfs/dbraw/zinc/21/65/35/978216535.db2.gz PEPQKVZQVHCWHV-POHAHGRESA-N 0 1 235.283 2.275 10 0 BEAEMN Cc1ccccc1Cn1[nH]c2c(c1=O)CCC2 ZINC000109356975 984316581 /nfs/dbraw/zinc/31/65/81/984316581.db2.gz QWGVJHIWHYMDLY-GFCCVEGCSA-N 0 1 228.295 2.493 10 0 BEAEMN Cc1ccccc1Cn1[nH]c2c(c1=O)CCC2 ZINC000109356977 984316670 /nfs/dbraw/zinc/31/66/70/984316670.db2.gz QWGVJHIWHYMDLY-LBPRGKRZSA-N 0 1 228.295 2.493 10 0 BEAEMN C[C@@H]1CCC[C@H](OCC(F)(F)CN)C1 ZINC000685955900 538901878 /nfs/dbraw/zinc/90/18/78/538901878.db2.gz GYWZISFJWOAKAR-BDAKNGLRSA-N 0 1 207.264 2.176 10 0 BEAEMN CCCC(=O)[C@@H](N)[C@H](C)OCc1ccccc1 ZINC000685961361 538908021 /nfs/dbraw/zinc/90/80/21/538908021.db2.gz HDHRTZUEDDHLJU-FZMZJTMJSA-N 0 1 235.327 2.288 10 0 BEAEMN CCN1CCC(=O)C12C[C@H](C)C[C@@H](C)C2 ZINC000685952631 538896794 /nfs/dbraw/zinc/89/67/94/538896794.db2.gz BHLANSZPUVNLQN-GHMZBOCLSA-N 0 1 209.333 2.476 10 0 BEAEMN C=C(OCC)c1csc([C@@H](C)NC)n1 ZINC000685965240 538911564 /nfs/dbraw/zinc/91/15/64/538911564.db2.gz VPIHTMWKLWVSAH-SSDOTTSWSA-N 0 1 212.318 2.431 10 0 BEAEMN Brc1ccoc1[C@H]1CCN1 ZINC000232457179 398180981 /nfs/dbraw/zinc/18/09/81/398180981.db2.gz VVADATZLTAFWEL-ZCFIWIBFSA-N 0 1 202.051 2.077 10 0 BEAEMN Cc1ccc(-c2c[nH]c(CN)n2)c(C)c1 ZINC000036870940 178318103 /nfs/dbraw/zinc/31/81/03/178318103.db2.gz QUJKLCBWWUOZGG-UHFFFAOYSA-N 0 1 201.273 2.152 10 0 BEAEMN Cc1ccc(-c2nc([C@@H](C)N)no2)cc1C ZINC000041052197 178335926 /nfs/dbraw/zinc/33/59/26/178335926.db2.gz IGUMCNHAKHCLET-SECBINFHSA-N 0 1 217.272 2.373 10 0 BEAEMN Cc1ccc(-c2nc([C@H](C)N)no2)cc1C ZINC000041052198 178336834 /nfs/dbraw/zinc/33/68/34/178336834.db2.gz IGUMCNHAKHCLET-VIFPVBQESA-N 0 1 217.272 2.373 10 0 BEAEMN Cc1ccc(-c2n[nH]c(-c3cnccn3)n2)cc1 ZINC000026507884 178331792 /nfs/dbraw/zinc/33/17/92/178331792.db2.gz BXTMTPAMAUTDTK-UHFFFAOYSA-N 0 1 237.266 2.237 10 0 BEAEMN CCC1(c2cccc(OC)c2)CN(C)C1 ZINC000005509216 342765228 /nfs/dbraw/zinc/76/52/28/342765228.db2.gz YBEDBXNUCCCITN-UHFFFAOYSA-N 0 1 205.301 2.288 10 0 BEAEMN CC[C@@H](N)C(=O)c1cscc1Br ZINC000226541839 342765254 /nfs/dbraw/zinc/76/52/54/342765254.db2.gz VIYLYQIWYWZQEO-SSDOTTSWSA-N 0 1 248.145 2.431 10 0 BEAEMN O=C([O-])c1[nH+]cc(-c2cccc(F)c2)cc1[O-] ZINC000149910839 342794491 /nfs/dbraw/zinc/79/44/91/342794491.db2.gz FBWHJIGMSQFREH-UHFFFAOYSA-N 0 1 233.198 2.292 10 0 BEAEMN COCc1nc(CNCC[C@@H](C)F)cs1 ZINC000381971064 398290936 /nfs/dbraw/zinc/29/09/36/398290936.db2.gz CAEMVKDQEOPLKS-MRVPVSSYSA-N 0 1 232.324 2.127 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1ccncc1Cl ZINC000134543548 342863628 /nfs/dbraw/zinc/86/36/28/342863628.db2.gz YCOPIIIXXIEAAE-KCJUWKMLSA-N 0 1 226.707 2.002 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1ccncc1Cl ZINC000134543527 342863806 /nfs/dbraw/zinc/86/38/06/342863806.db2.gz YCOPIIIXXIEAAE-GZMMTYOYSA-N 0 1 226.707 2.002 10 0 BEAEMN CC[C@@H]1CN(c2nc(Cl)cs2)CCN1C ZINC000165190128 342880802 /nfs/dbraw/zinc/88/08/02/342880802.db2.gz VYZGDTIIAUVXLM-MRVPVSSYSA-N 0 1 245.779 2.327 10 0 BEAEMN Cc1nc(CNCC[C@H]2CCCO2)cs1 ZINC000037988827 398335567 /nfs/dbraw/zinc/33/55/67/398335567.db2.gz DTVIAWLPIWYHBT-LLVKDONJSA-N 0 1 226.345 2.110 10 0 BEAEMN COC[C@H](N[C@H]1CCCSC1)c1ccco1 ZINC000128311941 398339884 /nfs/dbraw/zinc/33/98/84/398339884.db2.gz MRPJSNBFHLOKFU-QWRGUYRKSA-N 0 1 241.356 2.452 10 0 BEAEMN Cc1oncc1-c1csc([C@@H](C)N)n1 ZINC000084388587 398342383 /nfs/dbraw/zinc/34/23/83/398342383.db2.gz MLUQJGHZWAJQAX-RXMQYKEDSA-N 0 1 209.274 2.126 10 0 BEAEMN CCCC[N@@H+](Cc1oncc1C(=O)[O-])C1CC1 ZINC000304552565 259335338 /nfs/dbraw/zinc/33/53/38/259335338.db2.gz FQIYENKJDKAKAG-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN Cc1cc(N2C3CCC2CC3)ncc1N ZINC000118676540 343052249 /nfs/dbraw/zinc/05/22/49/343052249.db2.gz REVMEFRHLQUOFM-UHFFFAOYSA-N 0 1 203.289 2.103 10 0 BEAEMN Cc1nc2ccc(F)cc2nc1-c1cc(N)[nH]n1 ZINC000118912344 343062277 /nfs/dbraw/zinc/06/22/77/343062277.db2.gz XZQHARPHFZJKOV-UHFFFAOYSA-N 0 1 243.245 2.050 10 0 BEAEMN O=Cc1ccc(-c2nc(C(F)(F)F)n[nH]2)cc1 ZINC000584880488 343081173 /nfs/dbraw/zinc/08/11/73/343081173.db2.gz AKYGAWQAMQCTNL-UHFFFAOYSA-N 0 1 241.172 2.303 10 0 BEAEMN Oc1cccc(-c2nc(C(F)(F)F)n[nH]2)c1 ZINC000072236795 343088910 /nfs/dbraw/zinc/08/89/10/343088910.db2.gz CMKYPLUDVLJWMD-UHFFFAOYSA-N 0 1 229.161 2.196 10 0 BEAEMN Oc1ccc(-c2nc(C(F)(F)F)n[nH]2)cc1 ZINC000072236796 343089186 /nfs/dbraw/zinc/08/91/86/343089186.db2.gz NNIHHINIMOOBBG-UHFFFAOYSA-N 0 1 229.161 2.196 10 0 BEAEMN O=C1N[C@@H](c2ccccc2)C1(Cl)Cl ZINC000238516228 343257821 /nfs/dbraw/zinc/25/78/21/343257821.db2.gz QBIDRDJWGMRYRU-ZETCQYMHSA-N 0 1 216.067 2.031 10 0 BEAEMN Cc1ccc([C@H]2NCCc3cc(O)ccc32)nc1 ZINC000034737529 343277885 /nfs/dbraw/zinc/27/78/85/343277885.db2.gz JQYAVOCXMLHHQA-HNNXBMFYSA-N 0 1 240.306 2.331 10 0 BEAEMN CCO[P@@H](=O)C(C)(OCC)OCC ZINC000149233064 343424454 /nfs/dbraw/zinc/42/44/54/343424454.db2.gz NEYAQKCSAQSWCV-UHFFFAOYSA-N 0 1 210.210 2.244 10 0 BEAEMN CSc1n[nH]c2ncnc(NCC(C)C)c12 ZINC000041528553 343421242 /nfs/dbraw/zinc/42/12/42/343421242.db2.gz XZABPPOQYPKZFB-UHFFFAOYSA-N 0 1 237.332 2.143 10 0 BEAEMN CSc1n[n-]c2nc[nH+]c(NCC(C)C)c21 ZINC000041528553 343421245 /nfs/dbraw/zinc/42/12/45/343421245.db2.gz XZABPPOQYPKZFB-UHFFFAOYSA-N 0 1 237.332 2.143 10 0 BEAEMN O=C(c1[nH]nc2ccccc21)N1C[C@@H]2CCC[C@@H]21 ZINC000349350917 136342602 /nfs/dbraw/zinc/34/26/02/136342602.db2.gz PPASWMJMUHJBQZ-CABZTGNLSA-N 0 1 241.294 2.187 10 0 BEAEMN Fc1cccc2c1[C@@H](N[C@H]1CCSC1)CO2 ZINC000374685644 136356966 /nfs/dbraw/zinc/35/69/66/136356966.db2.gz ZFGPJFQIAVANGF-WPRPVWTQSA-N 0 1 239.315 2.354 10 0 BEAEMN CC[C@H](Nc1ncnc2[nH]cnc21)C(C)C ZINC000042591080 343444935 /nfs/dbraw/zinc/44/49/35/343444935.db2.gz DAZNNBDNQYLYLL-QMMMGPOBSA-N 0 1 219.292 2.199 10 0 BEAEMN CC(C)(C)N1CCOCC[C@H]1c1cncnc1 ZINC000616599238 343518495 /nfs/dbraw/zinc/51/84/95/343518495.db2.gz YAPTXAZOKCFEEX-LBPRGKRZSA-N 0 1 235.331 2.039 10 0 BEAEMN CN1CCOC[C@@H](c2cccc(Cl)c2)C1 ZINC000616659549 343532716 /nfs/dbraw/zinc/53/27/16/343532716.db2.gz BLPREEKMHQPSCB-NSHDSACASA-N 0 1 225.719 2.386 10 0 BEAEMN CN1CCOCC[C@H]1c1cccc(F)c1 ZINC000616660309 343532840 /nfs/dbraw/zinc/53/28/40/343532840.db2.gz XAXXYTNRUGTCBP-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CCn1nccc1[C@@H]1NCCc2ccsc21 ZINC000712513638 537786542 /nfs/dbraw/zinc/78/65/42/537786542.db2.gz QGEPGCDPJYMZRE-NSHDSACASA-N 0 1 233.340 2.200 10 0 BEAEMN Cc1c([C@H]2NCCc3ccsc32)cnn1C ZINC000712545278 537793707 /nfs/dbraw/zinc/79/37/07/537793707.db2.gz KYGGUFYPBFYIKZ-LLVKDONJSA-N 0 1 233.340 2.025 10 0 BEAEMN CCn1cc([C@@H]2NCCc3ccsc32)cn1 ZINC000712536735 537789438 /nfs/dbraw/zinc/78/94/38/537789438.db2.gz KCQHKYCXEDGCBX-NSHDSACASA-N 0 1 233.340 2.200 10 0 BEAEMN c1cc2c(s1)[C@H](c1cnsc1)NCC2 ZINC000712923379 537796143 /nfs/dbraw/zinc/79/61/43/537796143.db2.gz LFWQBDUZKOLCEN-VIFPVBQESA-N 0 1 222.338 2.440 10 0 BEAEMN c1c2n(nc1C1CCCCC1)CCNC2 ZINC000106885646 343785834 /nfs/dbraw/zinc/78/58/34/343785834.db2.gz DUPXOBRZYYEMRV-UHFFFAOYSA-N 0 1 205.305 2.034 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])C[C@@H]1c1ccc(Cl)cc1 ZINC000212891202 343792040 /nfs/dbraw/zinc/79/20/40/343792040.db2.gz WQDFALBSBODLEE-MWLCHTKSSA-N 0 1 239.702 2.417 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C1CC1)C1CCSCC1 ZINC000409425936 343820745 /nfs/dbraw/zinc/82/07/45/343820745.db2.gz BIBXGMWCERCZKI-NSHDSACASA-N 0 1 243.372 2.210 10 0 BEAEMN CC(C)Cc1n[nH]c(C2CCC2)c1CCO ZINC000409439912 343853343 /nfs/dbraw/zinc/85/33/43/343853343.db2.gz KTTZJVMAPIXSLW-UHFFFAOYSA-N 0 1 222.332 2.411 10 0 BEAEMN CCc1n[nH]c(C2CC2)c1CCC(=N)OC ZINC000409439963 343853885 /nfs/dbraw/zinc/85/38/85/343853885.db2.gz LEBKDDAIAATYPM-UHFFFAOYSA-N 0 1 221.304 2.406 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(F)F)C1 ZINC000409433399 343832736 /nfs/dbraw/zinc/83/27/36/343832736.db2.gz YEEPSCZVBTUDQZ-DTWKUNHWSA-N 0 1 235.274 2.217 10 0 BEAEMN OCc1c(C2CC2)n[nH]c1C1CCCC1 ZINC000409442407 343857854 /nfs/dbraw/zinc/85/78/54/343857854.db2.gz ZOXSIVBTRAKNJZ-UHFFFAOYSA-N 0 1 206.289 2.437 10 0 BEAEMN Cc1ccc(CNCc2ccncn2)cc1 ZINC000054788682 178615062 /nfs/dbraw/zinc/61/50/62/178615062.db2.gz MCFJJCRVGGTJAU-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN CC(C)(C)C(=O)CN1CCSC(C)(C)C1 ZINC000135214988 343968935 /nfs/dbraw/zinc/96/89/35/343968935.db2.gz GWJRPEHQWHPLMX-UHFFFAOYSA-N 0 1 229.389 2.429 10 0 BEAEMN C[C@@H](CC1CC1)Nc1nc[nH]c(=O)c1Cl ZINC000165827952 344153558 /nfs/dbraw/zinc/15/35/58/344153558.db2.gz CPOAXUHKUDHJNF-LURJTMIESA-N 0 1 227.695 2.024 10 0 BEAEMN C[C@H]1C[C@H](C)N(CC(=O)c2ccco2)C1 ZINC000158062968 344363586 /nfs/dbraw/zinc/36/35/86/344363586.db2.gz VSHQLNQGZSCENQ-UWVGGRQHSA-N 0 1 207.273 2.193 10 0 BEAEMN CC[C@@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000106384891 344475157 /nfs/dbraw/zinc/47/51/57/344475157.db2.gz BEMXGWBWSVXCLE-GHMZBOCLSA-N 0 1 240.372 2.441 10 0 BEAEMN C[C@H](C[N@@H+](C)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000381536780 344518662 /nfs/dbraw/zinc/51/86/62/344518662.db2.gz QUURYKHPWPTLCP-NXEZZACHSA-N 0 1 249.301 2.464 10 0 BEAEMN CCOC(=O)Cc1c(O)ccc(C#N)c1Cl ZINC000396151266 344624274 /nfs/dbraw/zinc/62/42/74/344624274.db2.gz QTDPUKALQZDSIB-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CC(=O)CCN1CCc2sccc2C1 ZINC000050499271 344701672 /nfs/dbraw/zinc/70/16/72/344701672.db2.gz RMFCIFJCTVNZLT-UHFFFAOYSA-N 0 1 209.314 2.085 10 0 BEAEMN CS[C@H]1CCC[C@@H](N2CCC(=O)CC2)C1 ZINC000235109183 344792990 /nfs/dbraw/zinc/79/29/90/344792990.db2.gz FNMIOEMWSJDBIL-PWSUYJOCSA-N 0 1 227.373 2.326 10 0 BEAEMN Cc1cc([C@H]2NCCc3nc[nH]c32)c(C)s1 ZINC000400662187 537863633 /nfs/dbraw/zinc/86/36/33/537863633.db2.gz SLTNGGFSEPBLHX-LLVKDONJSA-N 0 1 233.340 2.323 10 0 BEAEMN CCc1ccc(-c2ncc(CO)[nH]2)s1 ZINC000062820626 347085680 /nfs/dbraw/zinc/08/56/80/347085680.db2.gz NPUOUMXBAPAHCH-UHFFFAOYSA-N 0 1 208.286 2.193 10 0 BEAEMN CCn1ccnc1NCc1csc(C)n1 ZINC000050614160 344915330 /nfs/dbraw/zinc/91/53/30/344915330.db2.gz MMXKLRAXZIMYDL-UHFFFAOYSA-N 0 1 222.317 2.280 10 0 BEAEMN C[C@H]1C[C@@H]1Nc1c(N)cncc1Br ZINC000235578764 344947934 /nfs/dbraw/zinc/94/79/34/344947934.db2.gz FWIMBYKGIWHDFY-XNCJUZBTSA-N 0 1 242.120 2.247 10 0 BEAEMN COc1cc(Br)ccc1[C@H](N)CF ZINC000238457351 345049431 /nfs/dbraw/zinc/04/94/31/345049431.db2.gz VCUWVMFRWSFDRC-MRVPVSSYSA-N 0 1 248.095 2.427 10 0 BEAEMN Cc1[nH]n(C)c(=O)c1-c1ccc(C=O)c(F)c1 ZINC000675053581 537887146 /nfs/dbraw/zinc/88/71/46/537887146.db2.gz ILTVUAAVEGKQHQ-UHFFFAOYSA-N 0 1 234.230 2.053 10 0 BEAEMN Oc1cncc(OC(F)(F)F)c1Cl ZINC000238674762 345107043 /nfs/dbraw/zinc/10/70/43/345107043.db2.gz BMTBQIICKBQXCT-UHFFFAOYSA-N 0 1 213.542 2.339 10 0 BEAEMN OCc1ccc(F)c(CN2CCCCC2)c1 ZINC000213095851 345740594 /nfs/dbraw/zinc/74/05/94/345740594.db2.gz RFVZOXYPILDQOA-UHFFFAOYSA-N 0 1 223.291 2.304 10 0 BEAEMN COc1ccc2c(c1)[C@H](N)c1cccnc1CO2 ZINC000167590873 345794245 /nfs/dbraw/zinc/79/42/45/345794245.db2.gz AEGWOKLUIJHABT-CQSZACIVSA-N 0 1 242.278 2.031 10 0 BEAEMN Cc1cc(C)c(C(=O)C(C)(C)N)c(F)c1 ZINC000235743087 345842499 /nfs/dbraw/zinc/84/24/99/345842499.db2.gz VDHUJKTUOTUMQK-UHFFFAOYSA-N 0 1 209.264 2.363 10 0 BEAEMN CCOC(=O)[C@@H](CCC=O)C(=O)c1ccccc1 ZINC000034543228 345831601 /nfs/dbraw/zinc/83/16/01/345831601.db2.gz PMCPKGYJKASXPU-LBPRGKRZSA-N 0 1 248.278 2.028 10 0 BEAEMN C[C@@H]1CCC[C@H](C)N1N=c1nc[nH]s1 ZINC000148300304 345889388 /nfs/dbraw/zinc/88/93/88/345889388.db2.gz PRMZPKZPZPGXPM-OCAPTIKFSA-N 0 1 212.322 2.128 10 0 BEAEMN Cc1nnc(-c2ccoc2Br)[nH]1 ZINC000235932263 346171902 /nfs/dbraw/zinc/17/19/02/346171902.db2.gz LUFQESRGLJWUNF-UHFFFAOYSA-N 0 1 228.049 2.136 10 0 BEAEMN Cc1n[nH]c(-c2ccoc2Br)n1 ZINC000235932263 346171905 /nfs/dbraw/zinc/17/19/05/346171905.db2.gz LUFQESRGLJWUNF-UHFFFAOYSA-N 0 1 228.049 2.136 10 0 BEAEMN C[C@H](N)C(=O)Cc1ccc(Cl)cc1Cl ZINC000136387849 346206822 /nfs/dbraw/zinc/20/68/22/346206822.db2.gz AVOJNPPITIRZDM-LURJTMIESA-N 0 1 232.110 2.452 10 0 BEAEMN C[C@@H](N)C(=O)Cc1ccc(Cl)cc1Cl ZINC000136387895 346206874 /nfs/dbraw/zinc/20/68/74/346206874.db2.gz AVOJNPPITIRZDM-ZCFIWIBFSA-N 0 1 232.110 2.452 10 0 BEAEMN Cc1n[nH]c2cc(F)c(F)c(F)c2c1=O ZINC000669376605 537961570 /nfs/dbraw/zinc/96/15/70/537961570.db2.gz AGJJHRHRWNDLGZ-UHFFFAOYSA-N 0 1 214.146 2.061 10 0 BEAEMN Cc1cccc(CC(=O)[C@H](N)CC(C)C)c1 ZINC000082366236 179053162 /nfs/dbraw/zinc/05/31/62/179053162.db2.gz LXEGCVDGSMSBNI-CYBMUJFWSA-N 0 1 219.328 2.480 10 0 BEAEMN Cc1cccc(CNCc2ccnc(C)n2)c1 ZINC000037997725 179096818 /nfs/dbraw/zinc/09/68/18/179096818.db2.gz QUKRAKHIUIWUAJ-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN O=C(C=C1CSC(=O)N1)c1ccccc1 ZINC000164275093 346598270 /nfs/dbraw/zinc/59/82/70/346598270.db2.gz JYOUOPUEHSGNMG-UHFFFAOYSA-N 0 1 219.265 2.274 10 0 BEAEMN C[C@H]1CCC[N@H+](C2CCC(C(=O)[O-])CC2)C1 ZINC000108275674 346668170 /nfs/dbraw/zinc/66/81/70/346668170.db2.gz VJLFCBKYGNIQKQ-UNXYVOJBSA-N 0 1 225.332 2.362 10 0 BEAEMN Cc1cccc(OCc2cc(CN)no2)c1 ZINC000052666879 179172581 /nfs/dbraw/zinc/17/25/81/179172581.db2.gz MJEIPEIZILTSHI-UHFFFAOYSA-N 0 1 218.256 2.021 10 0 BEAEMN Cc1nc(CN[C@H](C)c2cccc(C)c2)n[nH]1 ZINC000358050357 179183368 /nfs/dbraw/zinc/18/33/68/179183368.db2.gz SZGUBWLICVKEAL-SNVBAGLBSA-N 0 1 230.315 2.272 10 0 BEAEMN Cc1cc(F)ccc1C(=O)[C@H](N)C(C)C ZINC000167824411 347243704 /nfs/dbraw/zinc/24/37/04/347243704.db2.gz XNXFMKKWABGHOE-LLVKDONJSA-N 0 1 209.264 2.300 10 0 BEAEMN Cc1c(Cl)ncnc1NN1CCCCC1 ZINC000149627707 347379420 /nfs/dbraw/zinc/37/94/20/347379420.db2.gz CWALWBNNLDMJSM-UHFFFAOYSA-N 0 1 226.711 2.251 10 0 BEAEMN CC1(C)CCC[C@H]1[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000251116628 362838517 /nfs/dbraw/zinc/83/85/17/362838517.db2.gz DISZRVCQDGQFCO-VHSXEESVSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)CCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195042451 347440733 /nfs/dbraw/zinc/44/07/33/347440733.db2.gz FLJCYHYOWXFUPO-CYBMUJFWSA-N 0 1 238.375 2.119 10 0 BEAEMN C[C@@H]1CCCCN1Cc1csc(N)n1 ZINC000036723494 347445861 /nfs/dbraw/zinc/44/58/61/347445861.db2.gz DKLRVBIDGBAVFB-MRVPVSSYSA-N 0 1 211.334 2.100 10 0 BEAEMN Cc1csc(CNC[C@H]2CCCC[N@@H+]2C)n1 ZINC000054243372 1172097489 /nfs/dbraw/zinc/09/74/89/1172097489.db2.gz OUKJREHJVUOVCO-LLVKDONJSA-N 0 1 239.388 2.025 10 0 BEAEMN Cc1cccnc1CN1CCS[C@@H](C)C1 ZINC000180473609 179375243 /nfs/dbraw/zinc/37/52/43/179375243.db2.gz VFKYOVIXFKKAAL-NSHDSACASA-N 0 1 222.357 2.327 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1CCCCC1(C)C ZINC000251565894 362887239 /nfs/dbraw/zinc/88/72/39/362887239.db2.gz SITHFRINUCGZNC-UWVGGRQHSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H]1CSCCN1[C@H]1CCCCCC1=O ZINC000251833348 362932712 /nfs/dbraw/zinc/93/27/12/362932712.db2.gz PTDABVQXBKVNPG-QWRGUYRKSA-N 0 1 227.373 2.326 10 0 BEAEMN Cc1cc(C(F)F)nc([C@@H](N)C2CC2)n1 ZINC000616577692 349118192 /nfs/dbraw/zinc/11/81/92/349118192.db2.gz KROBRJYUPVSZSO-QMMMGPOBSA-N 0 1 213.231 2.132 10 0 BEAEMN C[C@]1(C(=O)[O-])CC[N@H+](C2CCCCC2)C1 ZINC000062936060 349125260 /nfs/dbraw/zinc/12/52/60/349125260.db2.gz UGWUYXJYZCXHSE-LBPRGKRZSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000252589793 349200885 /nfs/dbraw/zinc/20/08/85/349200885.db2.gz CEKLZWZHAAEGEI-RTXFEEFZSA-N 0 1 245.322 2.121 10 0 BEAEMN O=C([O-])[C@@H]1CC[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C1 ZINC000725254242 538044138 /nfs/dbraw/zinc/04/41/38/538044138.db2.gz YPYWCWPJUGJLMB-HZSPNIEDSA-N 0 1 245.322 2.339 10 0 BEAEMN Cc1nc(CNC2=NC[C@H](C)S2)cs1 ZINC000049534301 179967836 /nfs/dbraw/zinc/96/78/36/179967836.db2.gz MXVZHVMDGGNNTM-LURJTMIESA-N 0 1 227.358 2.032 10 0 BEAEMN COC(=O)c1cccnc1CN(C)[C@H](C)C1CC1 ZINC000302286807 350069462 /nfs/dbraw/zinc/06/94/62/350069462.db2.gz FUUMHUNUQQMSAG-SNVBAGLBSA-N 0 1 248.326 2.099 10 0 BEAEMN Cc1nc(N2CCCC2)nc(N)c1C(C)C ZINC000061687345 180000603 /nfs/dbraw/zinc/00/06/03/180000603.db2.gz OPWPSYNSUISCGN-UHFFFAOYSA-N 0 1 220.320 2.091 10 0 BEAEMN Cc1cn[nH]c1CN[C@H](C)c1csc(C)n1 ZINC000309781795 180036758 /nfs/dbraw/zinc/03/67/58/180036758.db2.gz NAVPSTZYHXQCRX-MRVPVSSYSA-N 0 1 236.344 2.334 10 0 BEAEMN Cc1nc[nH]c1CNc1ccc2c[nH]nc2c1 ZINC000054796182 180121744 /nfs/dbraw/zinc/12/17/44/180121744.db2.gz UYBNSDVLENFMDG-UHFFFAOYSA-N 0 1 227.271 2.207 10 0 BEAEMN Cc1[nH+]ccn1-c1ccc(/C=C/C(=O)[O-])cc1 ZINC000020527232 180229146 /nfs/dbraw/zinc/22/91/46/180229146.db2.gz CRQNASYEUCMBPO-QPJJXVBHSA-N 0 1 228.251 2.279 10 0 BEAEMN Cc1[nH+]ccn1Cc1ccc(/C=C/C(=O)[O-])cc1 ZINC000049626954 180269005 /nfs/dbraw/zinc/26/90/05/180269005.db2.gz ONCVCOVNMMNIPA-VOTSOKGWSA-N 0 1 242.278 2.338 10 0 BEAEMN Cc1[nH+]ccn1[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000062757473 180271360 /nfs/dbraw/zinc/27/13/60/180271360.db2.gz LYSSJTCHCDJZNG-ZJUUUORDSA-N 0 1 208.261 2.007 10 0 BEAEMN Cc1ncn2ccc(Br)cc12 ZINC000107212112 180289879 /nfs/dbraw/zinc/28/98/79/180289879.db2.gz FUORIQAUYPKDNK-UHFFFAOYSA-N 0 1 211.062 2.405 10 0 BEAEMN CC[C@H]1CCCN1Cc1csc(N)n1 ZINC000037913927 350291156 /nfs/dbraw/zinc/29/11/56/350291156.db2.gz UWHGYTBGFHWCOB-VIFPVBQESA-N 0 1 211.334 2.100 10 0 BEAEMN Cc1ncsc1CCN1C[C@H](C)O[C@@H](C)C1 ZINC000074327542 180309764 /nfs/dbraw/zinc/30/97/64/180309764.db2.gz BSYGMYOIJNVOAV-UWVGGRQHSA-N 0 1 240.372 2.103 10 0 BEAEMN OCc1c(C2CCC2)n[nH]c1-c1ccncc1 ZINC000409441909 350481999 /nfs/dbraw/zinc/48/19/99/350481999.db2.gz UWNHWTMRWZSMQO-UHFFFAOYSA-N 0 1 229.283 2.232 10 0 BEAEMN OCC[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000227928612 350519987 /nfs/dbraw/zinc/51/99/87/350519987.db2.gz CECRODOVQCKKAK-JTQLQIEISA-N 0 1 241.281 2.169 10 0 BEAEMN CC(C)[N@H+]1CCO[C@H](c2ccc(N)cc2)CC1 ZINC000616593193 350527162 /nfs/dbraw/zinc/52/71/62/350527162.db2.gz JUAHENGESXXUNU-AWEZNQCLSA-N 0 1 234.343 2.441 10 0 BEAEMN CC(C)N1c2ccccc2CC[C@@H]1c1nn[nH]n1 ZINC000616593715 350584233 /nfs/dbraw/zinc/58/42/33/350584233.db2.gz KJYWDTWBZHNSKP-GFCCVEGCSA-N 0 1 243.314 2.102 10 0 BEAEMN CN(C)c1nc2c(n1C1CCCCC1)CCNC2 ZINC000725267108 538097741 /nfs/dbraw/zinc/09/77/41/538097741.db2.gz LYHFCBVMAWOKNN-UHFFFAOYSA-N 0 1 248.374 2.100 10 0 BEAEMN C[N@H+]1CCOC[C@@H](c2cccc3ccncc32)C1 ZINC000616599078 350710647 /nfs/dbraw/zinc/71/06/47/350710647.db2.gz VYVWZJWOLKSEQG-ZDUSSCGKSA-N 0 1 242.322 2.280 10 0 BEAEMN COc1cccc([C@H]2COCCCN2C)c1 ZINC000616599694 350755351 /nfs/dbraw/zinc/75/53/51/350755351.db2.gz NPYWVOMEDBRXIL-CYBMUJFWSA-N 0 1 221.300 2.088 10 0 BEAEMN NCc1nc(-c2csc(Cl)c2)c[nH]1 ZINC000236273947 350733061 /nfs/dbraw/zinc/73/30/61/350733061.db2.gz NSLWBEIEMDSDBZ-UHFFFAOYSA-N 0 1 213.693 2.250 10 0 BEAEMN CC(C)[N@H+]1CCOC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616601660 350786564 /nfs/dbraw/zinc/78/65/64/350786564.db2.gz OBTXTQAYCMIMND-CYBMUJFWSA-N 0 1 249.310 2.167 10 0 BEAEMN Nc1n[nH]cc1[C@@H]1CCCN1Cc1ccccc1 ZINC000616606688 350798219 /nfs/dbraw/zinc/79/82/19/350798219.db2.gz IDYDHCLFDNEQSO-ZDUSSCGKSA-N 0 1 242.326 2.159 10 0 BEAEMN COC1(c2nc(CN)cs2)CCCC1 ZINC000128931404 350899962 /nfs/dbraw/zinc/89/99/62/350899962.db2.gz HSRVTPNBQRBSRF-UHFFFAOYSA-N 0 1 212.318 2.018 10 0 BEAEMN CC1(C)CC[C@H]1[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000306733220 350903319 /nfs/dbraw/zinc/90/33/19/350903319.db2.gz SRMGQRXFWSSQCG-VHSXEESVSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)[N@@H+](C)[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250532787 350882361 /nfs/dbraw/zinc/88/23/61/350882361.db2.gz XNYDSZGEYMVJQM-GHMZBOCLSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)[C@H](C)Nc1nncc(N)c1Cl ZINC000306723869 350890885 /nfs/dbraw/zinc/89/08/85/350890885.db2.gz HQTVAJKOGMJEEH-LURJTMIESA-N 0 1 214.700 2.169 10 0 BEAEMN CC[S@](=O)Nc1cccc(Cl)c1O ZINC000306776269 351018054 /nfs/dbraw/zinc/01/80/54/351018054.db2.gz YJWRSIPUIGAXHC-ZDUSSCGKSA-N 0 1 219.693 2.141 10 0 BEAEMN CC1(C)CCC[N@H+]1Cc1csc(N)n1 ZINC000063067308 351046618 /nfs/dbraw/zinc/04/66/18/351046618.db2.gz WXTYQUBGKLVFTI-UHFFFAOYSA-N 0 1 211.334 2.100 10 0 BEAEMN CC1(C)CCCN1Cc1csc(N)n1 ZINC000063067308 351046619 /nfs/dbraw/zinc/04/66/19/351046619.db2.gz WXTYQUBGKLVFTI-UHFFFAOYSA-N 0 1 211.334 2.100 10 0 BEAEMN CCN1CCCCC[C@H]1c1ncccn1 ZINC000616622467 351086080 /nfs/dbraw/zinc/08/60/80/351086080.db2.gz ZDTNFJZNGHYLSA-NSHDSACASA-N 0 1 205.305 2.414 10 0 BEAEMN CC(C)[N@H+]1CCCCC[C@@H]1c1cnn[n-]1 ZINC000616623698 351090431 /nfs/dbraw/zinc/09/04/31/351090431.db2.gz RDAVEEWXTOVWLC-LLVKDONJSA-N 0 1 208.309 2.130 10 0 BEAEMN CC[N@H+]1CCCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616653664 351193699 /nfs/dbraw/zinc/19/36/99/351193699.db2.gz SSJLBKOVFOOEDT-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)(C)N1CCO[C@H](c2cccc(CO)c2)C1 ZINC000616649697 351179690 /nfs/dbraw/zinc/17/96/90/351179690.db2.gz ZPMTYISEDPVKPL-AWEZNQCLSA-N 0 1 249.354 2.351 10 0 BEAEMN CN1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616652561 351186446 /nfs/dbraw/zinc/18/64/46/351186446.db2.gz RNAHKWHSEFNXSV-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)(C)N1CCOC[C@@H]1c1ccccc1CO ZINC000616637842 351136282 /nfs/dbraw/zinc/13/62/82/351136282.db2.gz QLNWBBRETRASLF-CQSZACIVSA-N 0 1 249.354 2.351 10 0 BEAEMN CC(C)N1C[C@@H](c2nc[nH]n2)Cc2ccccc21 ZINC000616671438 351234527 /nfs/dbraw/zinc/23/45/27/351234527.db2.gz DJQFUXDBZAOVIX-LBPRGKRZSA-N 0 1 242.326 2.359 10 0 BEAEMN CC(C)N1C[C@H](c2nnc[nH]2)Nc2ccccc21 ZINC000616683246 351254182 /nfs/dbraw/zinc/25/41/82/351254182.db2.gz RDYLPQNWEJMGPF-LLVKDONJSA-N 0 1 243.314 2.186 10 0 BEAEMN CN1CCOCC[C@@H]1c1ccc(F)cc1 ZINC000616656624 351196480 /nfs/dbraw/zinc/19/64/80/351196480.db2.gz WGCGDPTWWOGMMY-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CC(C)(C)N1CCOCC[C@@H]1c1cncnc1 ZINC000616656674 351196579 /nfs/dbraw/zinc/19/65/79/351196579.db2.gz YAPTXAZOKCFEEX-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](OC(F)(F)F)CC1 ZINC000616666204 351225958 /nfs/dbraw/zinc/22/59/58/351225958.db2.gz KVVJPGUDYVFUGK-QMMMGPOBSA-N 0 1 241.253 2.370 10 0 BEAEMN CN[C@@H](C)c1occc1Br ZINC000068982559 351319776 /nfs/dbraw/zinc/31/97/76/351319776.db2.gz CNEBHUSTLZSXMN-YFKPBYRVSA-N 0 1 204.067 2.323 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@@H]1CCCC12CCC2 ZINC000307017268 351422708 /nfs/dbraw/zinc/42/27/08/351422708.db2.gz PWJHSJRIZFBVEZ-NXEZZACHSA-N 0 1 211.305 2.114 10 0 BEAEMN Cn1c(N)ncc1-c1ccc(Br)o1 ZINC000307135740 351494250 /nfs/dbraw/zinc/49/42/50/351494250.db2.gz RPSGSKKHQPDPEW-UHFFFAOYSA-N 0 1 242.076 2.025 10 0 BEAEMN CC1(C)CC[C@@H]1[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000307121328 351489727 /nfs/dbraw/zinc/48/97/27/351489727.db2.gz IXXPIYHZZABBHE-JOYOIKCWSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@H]1[C@H](C)CCC[C@@H]1C ZINC000252108098 363068792 /nfs/dbraw/zinc/06/87/92/363068792.db2.gz HITLCHJQBZFZBD-YTWAJWBKSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@H+]1CCC2(CCCC2)C1 ZINC000307300908 351925960 /nfs/dbraw/zinc/92/59/60/351925960.db2.gz SUSZWXSHBOZYHX-SNVBAGLBSA-N 0 1 211.305 2.116 10 0 BEAEMN COC(=O)Cc1c(Cl)ccc(Cl)c1O ZINC000307338784 352058590 /nfs/dbraw/zinc/05/85/90/352058590.db2.gz RCQPHCGVBGZPHR-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CCCCC[C@H]1C ZINC000252113189 363124126 /nfs/dbraw/zinc/12/41/26/363124126.db2.gz IBQROBJUBKYELI-GHMZBOCLSA-N 0 1 213.321 2.360 10 0 BEAEMN Fc1c(F)c(F)c([C@H]2CCN2)c(F)c1F ZINC000044257930 352233001 /nfs/dbraw/zinc/23/30/01/352233001.db2.gz YGZLDMFLVBQBAO-GSVOUGTGSA-N 0 1 223.144 2.417 10 0 in-vitro BEAEMN CN(Cc1ccnc(Cl)n1)[C@H]1CCSC1 ZINC000307374760 352472920 /nfs/dbraw/zinc/47/29/20/352472920.db2.gz TXMJQZCZITVMKB-VIFPVBQESA-N 0 1 243.763 2.067 10 0 BEAEMN Cc1ccoc1CN(C)[C@@H]1CCC(=O)C1 ZINC000307450655 352602178 /nfs/dbraw/zinc/60/21/78/352602178.db2.gz OZCRUGNAYXOFRA-SNVBAGLBSA-N 0 1 207.273 2.141 10 0 BEAEMN CCc1cnc(-c2nc(CN)cs2)s1 ZINC000307541189 352645156 /nfs/dbraw/zinc/64/51/56/352645156.db2.gz XINDSQZNBIJMLX-UHFFFAOYSA-N 0 1 225.342 2.288 10 0 BEAEMN OCc1cnc(-c2sccc2Cl)[nH]1 ZINC000306618490 353029664 /nfs/dbraw/zinc/02/96/64/353029664.db2.gz SRFSZCQRMXZMPJ-UHFFFAOYSA-N 0 1 214.677 2.284 10 0 BEAEMN CC(C)C1(CN2CCC(=O)[C@H](C)C2)CC1 ZINC000232615069 353143951 /nfs/dbraw/zinc/14/39/51/353143951.db2.gz KXHCYZYQNLTHHF-LLVKDONJSA-N 0 1 209.333 2.334 10 0 BEAEMN CCCC[N@H+]1CC[C@@H](CC(=O)[O-])[C@H](C)C1 ZINC000073654239 188114810 /nfs/dbraw/zinc/11/48/10/188114810.db2.gz HIQZWFQQPUSNTI-MNOVXSKESA-N 0 1 213.321 2.219 10 0 BEAEMN CCCCOCC[N@@H+](CCC(=O)[O-])C(C)(C)C ZINC000049263915 188124137 /nfs/dbraw/zinc/12/41/37/188124137.db2.gz HPGIBMSZUZBGHZ-UHFFFAOYSA-N 0 1 245.363 2.378 10 0 BEAEMN COc1ccc(F)cc1C(=O)[C@@H]1CCCCN1 ZINC000082607484 188139365 /nfs/dbraw/zinc/13/93/65/188139365.db2.gz LAOMDBYBWRGRQY-NSHDSACASA-N 0 1 237.274 2.159 10 0 BEAEMN CCn1c([C@H](N)C(C)(C)C)nc2cccnc21 ZINC000104310818 188151221 /nfs/dbraw/zinc/15/12/21/188151221.db2.gz FPUSONOMKVQOAU-JTQLQIEISA-N 0 1 232.331 2.497 10 0 BEAEMN CCc1[nH+]ccn1-c1ccc(C(=O)[O-])cc1 ZINC000042420146 188150188 /nfs/dbraw/zinc/15/01/88/188150188.db2.gz TUBUQPJTMBSJNS-UHFFFAOYSA-N 0 1 216.240 2.133 10 0 BEAEMN CC(C)C[C@@H](N)C(=O)c1ccc(F)cc1 ZINC000032012164 188181984 /nfs/dbraw/zinc/18/19/84/188181984.db2.gz NAALVINYLJQDBA-LLVKDONJSA-N 0 1 209.264 2.382 10 0 BEAEMN c1nnc([C@@H]2CCCCN2[C@@H]2C=CCCC2)[nH]1 ZINC000248591494 188192903 /nfs/dbraw/zinc/19/29/03/188192903.db2.gz RTPJCMUFWGKKPA-NEPJUHHUSA-N 0 1 232.331 2.440 10 0 BEAEMN C[C@H]1CCC[N@@H+](CC(C)(C)C(=O)[O-])[C@H]1C ZINC000252196675 363211208 /nfs/dbraw/zinc/21/12/08/363211208.db2.gz SMQAVAQBLDCVMZ-UWVGGRQHSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1nccs1 ZINC000226234181 538115350 /nfs/dbraw/zinc/11/53/50/538115350.db2.gz OTYYICYJAYNCFP-IVZWLZJFSA-N 0 1 226.345 2.097 10 0 BEAEMN Fc1cccc(F)c1NCc1cnc[nH]1 ZINC000054763919 181001046 /nfs/dbraw/zinc/00/10/46/181001046.db2.gz CDTSEIXZHMIYPY-UHFFFAOYSA-N 0 1 209.199 2.300 10 0 BEAEMN Cc1cnc(CNCC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000639135466 353845024 /nfs/dbraw/zinc/84/50/24/353845024.db2.gz JTNNZDYWQZIICH-UWVGGRQHSA-N 0 1 238.331 2.276 10 0 BEAEMN N=C(NO)c1ccc(Br)cc1Cl ZINC000143119417 181200258 /nfs/dbraw/zinc/20/02/58/181200258.db2.gz QMCUGHZXYCEFKG-UHFFFAOYSA-N 0 1 249.495 2.407 10 0 BEAEMN C[C@H]1CC[C@H](O)CN1Cc1cc(F)cc(F)c1 ZINC000399488546 356664706 /nfs/dbraw/zinc/66/47/06/356664706.db2.gz SGVIHMRFJCJNGA-ZANVPECISA-N 0 1 241.281 2.310 10 0 BEAEMN Clc1ccc([C@@H]2NCCc3nc[nH]c32)s1 ZINC000084054716 538526941 /nfs/dbraw/zinc/52/69/41/538526941.db2.gz PYIRLNBRDNQFER-JTQLQIEISA-N 0 1 239.731 2.360 10 0 BEAEMN CC[N@H+]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000389576292 356994470 /nfs/dbraw/zinc/99/44/70/356994470.db2.gz XCAZPCZVHVQBGY-VIFPVBQESA-N 0 1 228.723 2.117 10 0 BEAEMN CC[C@@H]1CCCN1Cc1ncccc1C(=O)OC ZINC000305944874 357217299 /nfs/dbraw/zinc/21/72/99/357217299.db2.gz MBNQWKUTDFQJBU-LLVKDONJSA-N 0 1 248.326 2.243 10 0 BEAEMN COC(C)(C)CCN[C@H](C)c1ncc(C)o1 ZINC000230417608 357523984 /nfs/dbraw/zinc/52/39/84/357523984.db2.gz KEEUZWMERYYHOT-SNVBAGLBSA-N 0 1 226.320 2.449 10 0 BEAEMN O=C1CCCC(=O)C1c1cccc(F)c1 ZINC000584615312 358279922 /nfs/dbraw/zinc/27/99/22/358279922.db2.gz YWYYWLZDMMXNGQ-UHFFFAOYSA-N 0 1 206.216 2.231 10 0 BEAEMN COc1cc(C(=O)[O-])ccc1C[N@@H+](C)C(C)C ZINC000584597894 358255903 /nfs/dbraw/zinc/25/59/03/358255903.db2.gz SHVSUCRZPWYIKT-UHFFFAOYSA-N 0 1 237.299 2.234 10 0 BEAEMN CN1C(=O)[C@]2(C)CCCCCN2[C@H]1C(C)(C)C ZINC000584655311 358308474 /nfs/dbraw/zinc/30/84/74/358308474.db2.gz HYUOLXMSRJQEAI-FZMZJTMJSA-N 0 1 238.375 2.465 10 0 BEAEMN CCC1OC(c2cccc(C)c2)=NC1=O ZINC000584638277 358323838 /nfs/dbraw/zinc/32/38/38/358323838.db2.gz HPISODQQTXRGRV-SNVBAGLBSA-N 0 1 203.241 2.077 10 0 BEAEMN CS[C@@H]1CC[C@H](N2CCC(=O)[C@H](C)C2)C1 ZINC000300384476 358980959 /nfs/dbraw/zinc/98/09/59/358980959.db2.gz JCJVQOMZVZVDIL-OUAUKWLOSA-N 0 1 227.373 2.181 10 0 BEAEMN CS[C@@H]1CC[C@@H](N2CCC(=O)[C@H](C)C2)C1 ZINC000300384475 358981001 /nfs/dbraw/zinc/98/10/01/358981001.db2.gz JCJVQOMZVZVDIL-GMTAPVOTSA-N 0 1 227.373 2.181 10 0 BEAEMN CC[C@H](O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000247049934 359191944 /nfs/dbraw/zinc/19/19/44/359191944.db2.gz OMPAAYDBFXWUNV-QWRGUYRKSA-N 0 1 209.289 2.187 10 0 BEAEMN N[C@H](c1cn[nH]c1)c1ccsc1Cl ZINC000306270075 359493285 /nfs/dbraw/zinc/49/32/85/359493285.db2.gz NRDGRAMDPDYGPJ-SSDOTTSWSA-N 0 1 213.693 2.173 10 0 BEAEMN Cl/C=C(/Cl)CN[C@H]1CCSC1 ZINC000231352021 359902331 /nfs/dbraw/zinc/90/23/31/359902331.db2.gz FYBPFWKHECXUCO-ZAXDUSRUSA-N 0 1 212.145 2.401 10 0 BEAEMN C[C@@H]1CCN(CC(=O)c2ccccc2)C1 ZINC000040718968 359913926 /nfs/dbraw/zinc/91/39/26/359913926.db2.gz YMNOHEURXLUYCY-LLVKDONJSA-N 0 1 203.285 2.211 10 0 BEAEMN CC(C)N(C)Cc1cc(Br)no1 ZINC000306447220 360020633 /nfs/dbraw/zinc/02/06/33/360020633.db2.gz DLHGPBOKIOCKRK-UHFFFAOYSA-N 0 1 233.109 2.277 10 0 BEAEMN CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309426250 491149061 /nfs/dbraw/zinc/14/90/61/491149061.db2.gz FHRHNPWWNVNHDG-GXSJLCMTSA-N 0 1 242.750 2.363 10 0 BEAEMN C[C@@H]1CSCCN1CC(=O)C(C)(C)C ZINC000069761240 360408801 /nfs/dbraw/zinc/40/88/01/360408801.db2.gz IFJLGWZPCMRIIL-SECBINFHSA-N 0 1 215.362 2.039 10 0 BEAEMN C[C@@H]1[C@@H](C)CCN1Cc1ccnc(Cl)n1 ZINC000306558715 360433313 /nfs/dbraw/zinc/43/33/13/360433313.db2.gz PPHMVVVDNYLLFZ-DTWKUNHWSA-N 0 1 225.723 2.360 10 0 BEAEMN CCn1ccnc1N[C@H]1CSC[C@@H]1C ZINC000306582246 360481087 /nfs/dbraw/zinc/48/10/87/360481087.db2.gz PAQOJZBHWIGBSW-IUCAKERBSA-N 0 1 211.334 2.066 10 0 BEAEMN O=C(c1ccns1)C1CC(F)(F)C1 ZINC000306575153 360464113 /nfs/dbraw/zinc/46/41/13/360464113.db2.gz IWBQHVWUEUZLMO-UHFFFAOYSA-N 0 1 203.213 2.371 10 0 BEAEMN C[C@@H]1CC[C@](F)(c2ccns2)CN1 ZINC000306597770 360519485 /nfs/dbraw/zinc/51/94/85/360519485.db2.gz ZVDIBQYJFKGFTN-VXNVDRBHSA-N 0 1 200.282 2.080 10 0 BEAEMN C[N@H+]1CCC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000141664206 360965567 /nfs/dbraw/zinc/96/55/67/360965567.db2.gz WSDIEEXAUCMABH-LLVKDONJSA-N 0 1 205.257 2.152 10 0 BEAEMN C[C@@H]1CN(CC(=O)C(C)(C)C)C[C@@H](C)S1 ZINC000069908914 361015165 /nfs/dbraw/zinc/01/51/65/361015165.db2.gz RXYIVVOBVSBOAW-NXEZZACHSA-N 0 1 229.389 2.427 10 0 BEAEMN NC1(C(=O)OC2CCC2)CCCCCC1 ZINC000050928890 181329549 /nfs/dbraw/zinc/32/95/49/181329549.db2.gz OCZILEYBSWBTPR-UHFFFAOYSA-N 0 1 211.305 2.134 10 0 BEAEMN NC1(C(=O)OCc2cccs2)CCCC1 ZINC000049584772 181331108 /nfs/dbraw/zinc/33/11/08/181331108.db2.gz BGMCHOZWISQQNL-UHFFFAOYSA-N 0 1 225.313 2.063 10 0 BEAEMN NC1(C(=O)c2ccc(Cl)cc2)CCC1 ZINC000091297602 181331244 /nfs/dbraw/zinc/33/12/44/181331244.db2.gz HQKYRYNIZNVYEB-UHFFFAOYSA-N 0 1 209.676 2.404 10 0 BEAEMN NC1(c2nc3cc(F)ccc3o2)CCC1 ZINC000082931814 181334792 /nfs/dbraw/zinc/33/47/92/181334792.db2.gz FYRBHSAHHOKUEX-UHFFFAOYSA-N 0 1 206.220 2.305 10 0 BEAEMN NC1(c2noc(CC3CC3)n2)CCCCC1 ZINC000049732468 181336885 /nfs/dbraw/zinc/33/68/85/181336885.db2.gz BCXZOJLNRNRFLW-UHFFFAOYSA-N 0 1 221.304 2.140 10 0 BEAEMN O=C(N[C@H]1CCOc2ccccc21)C(F)(F)F ZINC000070266825 361495402 /nfs/dbraw/zinc/49/54/02/361495402.db2.gz SALDBVDJGUFUAV-QMMMGPOBSA-N 0 1 245.200 2.189 10 0 BEAEMN COC(=O)CCN[C@@H](C)c1cc(F)ccc1F ZINC000036891731 361578419 /nfs/dbraw/zinc/57/84/19/361578419.db2.gz YIWPFTXECYTINZ-QMMMGPOBSA-N 0 1 243.253 2.179 10 0 BEAEMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCCCC1(F)F ZINC000381560161 367430601 /nfs/dbraw/zinc/43/06/01/367430601.db2.gz WGYZYMAFADGRHZ-VIFPVBQESA-N 0 1 235.274 2.218 10 0 BEAEMN Fc1cccc2c1CC[C@@]21NCCS1 ZINC000215055990 368144602 /nfs/dbraw/zinc/14/46/02/368144602.db2.gz ZXOQQIFXAXTIAX-NSHDSACASA-N 0 1 209.289 2.261 10 0 BEAEMN CC(C)[C@H]1C[N@@H+](COC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000199947034 368354168 /nfs/dbraw/zinc/35/41/68/368354168.db2.gz WMBKWOYSSYDOBH-MNOVXSKESA-N 0 1 243.347 2.048 10 0 BEAEMN CC(C)(C)OC(=O)c1ccc2cncn2c1 ZINC000117563680 370933404 /nfs/dbraw/zinc/93/34/04/370933404.db2.gz WRPHTSFGKUGZBG-UHFFFAOYSA-N 0 1 218.256 2.290 10 0 BEAEMN C[N@H+]1CCc2ccccc2[C@H]1c1ccno1 ZINC000616584677 369097031 /nfs/dbraw/zinc/09/70/31/369097031.db2.gz LKMYINHQPTTZAH-ZDUSSCGKSA-N 0 1 214.268 2.252 10 0 BEAEMN CN1CCc2ccccc2[C@H]1c1ccno1 ZINC000616584677 369097035 /nfs/dbraw/zinc/09/70/35/369097035.db2.gz LKMYINHQPTTZAH-ZDUSSCGKSA-N 0 1 214.268 2.252 10 0 BEAEMN C[C@@H]1C[C@H]1NCc1ncc(Cl)s1 ZINC000225338241 370364369 /nfs/dbraw/zinc/36/43/69/370364369.db2.gz RSOCTRXOCVAOKO-PHDIDXHHSA-N 0 1 202.710 2.295 10 0 BEAEMN [NH3+][C@@H](CC[P@H](=O)[O-])c1ccc(Cl)cc1 ZINC000026974141 181544862 /nfs/dbraw/zinc/54/48/62/181544862.db2.gz RNPLPEJDTXCHOG-VIFPVBQESA-N 0 1 233.635 2.197 10 0 BEAEMN N[C@@H](c1cccnc1)c1cc(F)ccc1F ZINC000019972349 181566312 /nfs/dbraw/zinc/56/63/12/181566312.db2.gz GCMSDRVCFXVSTR-LBPRGKRZSA-N 0 1 220.222 2.408 10 0 BEAEMN N[C@@H](c1cc[nH]n1)c1ccc(Cl)cc1 ZINC000062775762 181630830 /nfs/dbraw/zinc/63/08/30/181630830.db2.gz RDQXNDFTUFTEIO-SNVBAGLBSA-N 0 1 207.664 2.111 10 0 BEAEMN N[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000011831952 181631495 /nfs/dbraw/zinc/63/14/95/181631495.db2.gz SKZCRSJSQDGAIE-LLVKDONJSA-N 0 1 219.675 2.178 10 0 BEAEMN Nc1ccc(CNCc2ccccc2)o1 ZINC000105516806 181707388 /nfs/dbraw/zinc/70/73/88/181707388.db2.gz LKUNSGIKFHYROA-UHFFFAOYSA-N 0 1 202.257 2.152 10 0 BEAEMN Nc1c[nH+]c(NC2CCCCC2)c(C(=O)[O-])c1 ZINC000082547978 181767980 /nfs/dbraw/zinc/76/79/80/181767980.db2.gz CTAQULJGRGKNAB-UHFFFAOYSA-N 0 1 235.287 2.107 10 0 BEAEMN F[C@@H]([C@@H]1CCCCN1)C(F)(F)Br ZINC000225685462 371565855 /nfs/dbraw/zinc/56/58/55/371565855.db2.gz GHFPVZVJSIAQII-WDSKDSINSA-N 0 1 246.070 2.454 10 0 BEAEMN NCc1cc(-c2ccc(Br)o2)on1 ZINC000131900121 371708488 /nfs/dbraw/zinc/70/84/88/371708488.db2.gz PTDKYQYQDUQACW-UHFFFAOYSA-N 0 1 243.060 2.156 10 0 BEAEMN CC[C@](C)(N)C(=O)c1ccc(F)cc1C ZINC000226665524 371720091 /nfs/dbraw/zinc/72/00/91/371720091.db2.gz XFEGEUQJZODQHA-LBPRGKRZSA-N 0 1 209.264 2.444 10 0 BEAEMN CC(C)[C@H](C(=O)[O-])[N@H+]1CCCCC[C@@H]1C ZINC000226735252 371733885 /nfs/dbraw/zinc/73/38/85/371733885.db2.gz IBQROBJUBKYELI-WDEREUQCSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H]1CCCCC[N@H+]1[C@@H](C(=O)[O-])C1CC1 ZINC000226494769 371682020 /nfs/dbraw/zinc/68/20/20/371682020.db2.gz JIHFJSLRKGWQDF-GXSJLCMTSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1cccc(C(=O)C2(N)CCC2)c1C ZINC000226779180 371743066 /nfs/dbraw/zinc/74/30/66/371743066.db2.gz PBFRJUNAHDLPFF-UHFFFAOYSA-N 0 1 203.285 2.368 10 0 BEAEMN CNc1cc(OCC(F)(F)F)ccn1 ZINC000227668670 371918583 /nfs/dbraw/zinc/91/85/83/371918583.db2.gz ISBVZTVZCQLJFP-UHFFFAOYSA-N 0 1 206.167 2.064 10 0 BEAEMN N[C@@H](Cc1sccc1Cl)c1ncc[nH]1 ZINC000306676550 372054946 /nfs/dbraw/zinc/05/49/46/372054946.db2.gz WKGLXSOPFQXEFP-ZETCQYMHSA-N 0 1 227.720 2.367 10 0 BEAEMN Fc1ccc2c(c1)CC[C@@H]2NCc1cn[nH]c1 ZINC000134003253 372148177 /nfs/dbraw/zinc/14/81/77/372148177.db2.gz GIVSGMCLMYYNNJ-ZDUSSCGKSA-N 0 1 231.274 2.326 10 0 BEAEMN O=C([O-])[C@@H]1CCCCCC[N@H+]1C/C=C\Cl ZINC000379794386 373062789 /nfs/dbraw/zinc/06/27/89/373062789.db2.gz INGCNWMLPJCKEL-BXKUYDPTSA-N 0 1 231.723 2.458 10 0 BEAEMN CCc1nc(C=O)[nH]c1-c1ccccc1 ZINC000068945598 373095177 /nfs/dbraw/zinc/09/51/77/373095177.db2.gz UHSRWLWKFGLECH-UHFFFAOYSA-N 0 1 200.241 2.452 10 0 BEAEMN CCN[C@@H](C)c1cn(Cc2cccc(F)c2)nn1 ZINC000381423436 374118617 /nfs/dbraw/zinc/11/86/17/374118617.db2.gz CGWNOTULPCXSAX-JTQLQIEISA-N 0 1 248.305 2.136 10 0 BEAEMN O=C(Nc1ccccc1)[C@@H]1CCCc2[nH]ncc21 ZINC000131624051 182376936 /nfs/dbraw/zinc/37/69/36/182376936.db2.gz CYGAQSHUSQWSLX-LLVKDONJSA-N 0 1 241.294 2.468 10 0 BEAEMN Cc1cnc([C@H](C)NCC2CCOCC2)o1 ZINC000220931165 134314836 /nfs/dbraw/zinc/31/48/36/134314836.db2.gz IYVZDZNGPFUCSN-JTQLQIEISA-N 0 1 224.304 2.060 10 0 BEAEMN OC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000026012468 183136290 /nfs/dbraw/zinc/13/62/90/183136290.db2.gz YFKAGZCIJHYSFZ-JKSUJKDBSA-N 0 1 237.302 2.123 10 0 BEAEMN OCc1cnc(C2(c3ccccc3)CCC2)[nH]1 ZINC000062820515 183160570 /nfs/dbraw/zinc/16/05/70/183160570.db2.gz ZPOPAWBQSQHMNU-UHFFFAOYSA-N 0 1 228.295 2.372 10 0 BEAEMN CCCN(C)C(=O)c1c(C)n[nH]c1C(C)C ZINC000125660140 169059806 /nfs/dbraw/zinc/05/98/06/169059806.db2.gz BRRMTNILLYOAQA-UHFFFAOYSA-N 0 1 223.320 2.324 10 0 BEAEMN O[C@]1(c2ccc(F)cc2F)CCN(C2CC2)C1 ZINC000061987880 183251316 /nfs/dbraw/zinc/25/13/16/183251316.db2.gz ZVOYGMTYRKQWJT-CYBMUJFWSA-N 0 1 239.265 2.021 10 0 BEAEMN Oc1ccc(CNCc2ccccn2)cc1F ZINC000083358638 183270867 /nfs/dbraw/zinc/27/08/67/183270867.db2.gz VWYSJJUHZDGYJE-UHFFFAOYSA-N 0 1 232.258 2.216 10 0 BEAEMN CCCN1CCO[C@H](c2ccc(O)cc2)C1 ZINC000028957455 169204134 /nfs/dbraw/zinc/20/41/34/169204134.db2.gz IZHCCKWRFAIIPH-ZDUSSCGKSA-N 0 1 221.300 2.176 10 0 BEAEMN c1cc(C2CC2)nc([C@H]2CCCCN2)n1 ZINC000070951553 183335180 /nfs/dbraw/zinc/33/51/80/183335180.db2.gz DTGAKBNIGMUGEN-LLVKDONJSA-N 0 1 203.289 2.169 10 0 BEAEMN c1ccc(-c2ccc([C@@H]3CNCCO3)nc2)cc1 ZINC000072384520 183379734 /nfs/dbraw/zinc/37/97/34/183379734.db2.gz RMQYGPXFRYANKX-HNNXBMFYSA-N 0 1 240.306 2.410 10 0 BEAEMN CCCNc1cc2ccccc2c(=O)[nH]1 ZINC000037757115 169294332 /nfs/dbraw/zinc/29/43/32/169294332.db2.gz GTLRXQWZSRYOHG-UHFFFAOYSA-N 0 1 202.257 2.350 10 0 BEAEMN CCCOc1ccccc1-c1nnc[nH]1 ZINC000123734929 169326454 /nfs/dbraw/zinc/32/64/54/169326454.db2.gz MKTCHFZZBOHAAN-UHFFFAOYSA-N 0 1 203.245 2.261 10 0 BEAEMN CCC[C@@H](C(=O)Nc1ccc(O)cc1)N(C)C ZINC000092603015 169345989 /nfs/dbraw/zinc/34/59/89/169345989.db2.gz PEBGXEWOYLYAHI-LBPRGKRZSA-N 0 1 236.315 2.061 10 0 BEAEMN CCC[C@@H](C(=O)Nc1cnccc1C)N(C)C ZINC000162015409 169346211 /nfs/dbraw/zinc/34/62/11/169346211.db2.gz WZNONQVWOGFXEV-LBPRGKRZSA-N 0 1 235.331 2.059 10 0 BEAEMN CCC[C@@H](N)C(=O)c1ccccc1OC ZINC000082377984 169392944 /nfs/dbraw/zinc/39/29/44/169392944.db2.gz LAWJQIQYWQIUAG-SNVBAGLBSA-N 0 1 207.273 2.005 10 0 BEAEMN CCC[C@@H](N)c1noc([C@@H]2CCCCO2)n1 ZINC000050973533 169395315 /nfs/dbraw/zinc/39/53/15/169395315.db2.gz LZRXHMKQXWZAHI-BDAKNGLRSA-N 0 1 225.292 2.111 10 0 BEAEMN CCC[C@](C)(N)c1noc(C(C)(C)C)n1 ZINC000036764681 169549109 /nfs/dbraw/zinc/54/91/09/169549109.db2.gz LQDQQLSUZKHJSC-NSHDSACASA-N 0 1 211.309 2.341 10 0 BEAEMN Cn1nccc1CN[C@H]1CCc2c1cccc2F ZINC000112346599 383920207 /nfs/dbraw/zinc/92/02/07/383920207.db2.gz RVJTURSVCVAZEM-AWEZNQCLSA-N 0 1 245.301 2.336 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1c(Cl)cnn1C ZINC000131926348 383898947 /nfs/dbraw/zinc/89/89/47/383898947.db2.gz JVRGLZKJDGOSMQ-PSASIEDQSA-N 0 1 227.739 2.352 10 0 BEAEMN COC(=O)c1cccc2nc(Cl)[nH]c21 ZINC000089195088 383941559 /nfs/dbraw/zinc/94/15/59/383941559.db2.gz ILEUCNCKSCQHGO-UHFFFAOYSA-N 0 1 210.620 2.003 10 0 BEAEMN CCCCC(=O)Nc1cncc2nc[nH]c21 ZINC000089203363 383947613 /nfs/dbraw/zinc/94/76/13/383947613.db2.gz YRNFRSBFOOLQHK-UHFFFAOYSA-N 0 1 218.260 2.087 10 0 BEAEMN C[C@@H](O)CCNCc1csc(C(C)(C)C)n1 ZINC000114771805 384053089 /nfs/dbraw/zinc/05/30/89/384053089.db2.gz YUYHVCSWJSIAHS-SECBINFHSA-N 0 1 242.388 2.301 10 0 BEAEMN Cc1n[nH]c2c1[C@H](O)C[C@H](c1ccccc1O)C2 ZINC000072415259 384099187 /nfs/dbraw/zinc/09/91/87/384099187.db2.gz SNRANHLTJDUOAN-NOZJJQNGSA-N 0 1 244.294 2.187 10 0 BEAEMN CSC(=N)N(C)c1ccc2c(c1)OCCO2 ZINC000039135159 384109494 /nfs/dbraw/zinc/10/94/94/384109494.db2.gz CBFYGNOHOOGCCH-UHFFFAOYSA-N 0 1 238.312 2.192 10 0 BEAEMN CC(=O)c1cc(C(=O)CCN(C)C)c(C)nc1C ZINC000072416268 384113621 /nfs/dbraw/zinc/11/36/21/384113621.db2.gz JEAUMJLMOAOOQC-UHFFFAOYSA-N 0 1 248.326 2.035 10 0 BEAEMN Cn1cccc1CN[C@H]1COc2ccccc21 ZINC000070528252 384116281 /nfs/dbraw/zinc/11/62/81/384116281.db2.gz OUSABQAKKKXWGP-ZDUSSCGKSA-N 0 1 228.295 2.248 10 0 BEAEMN COC[C@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826800 384148027 /nfs/dbraw/zinc/14/80/27/384148027.db2.gz MGAFVMDDYJBAAY-QMMMGPOBSA-N 0 1 247.298 2.092 10 0 BEAEMN CC(C)(C)Oc1ccc(Cl)c(C(=N)N)n1 ZINC000071186734 384153093 /nfs/dbraw/zinc/15/30/93/384153093.db2.gz DARIUDPQPPSKJZ-UHFFFAOYSA-N 0 1 227.695 2.196 10 0 BEAEMN CCC[C@H](C(=O)Nc1ccc(O)cc1)N(C)C ZINC000092603016 384186346 /nfs/dbraw/zinc/18/63/46/384186346.db2.gz PEBGXEWOYLYAHI-GFCCVEGCSA-N 0 1 236.315 2.061 10 0 BEAEMN CCCCN(CC)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132042862 384209661 /nfs/dbraw/zinc/20/96/61/384209661.db2.gz CVPNUYWIJHYUKU-LLVKDONJSA-N 0 1 249.358 2.478 10 0 BEAEMN O=Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000074139969 384275605 /nfs/dbraw/zinc/27/56/05/384275605.db2.gz UAXLBYYHIYNURW-UHFFFAOYSA-N 0 1 214.146 2.394 10 0 BEAEMN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000093954914 384282707 /nfs/dbraw/zinc/28/27/07/384282707.db2.gz QISHTJPQSJDTSQ-NWDGAFQWSA-N 0 1 232.279 2.312 10 0 BEAEMN C[C@H]1OCC[C@H]1NC/C(Cl)=C/Cl ZINC000133462054 384291776 /nfs/dbraw/zinc/29/17/76/384291776.db2.gz IIWITLDKXOWQKD-GLVSWVFDSA-N 0 1 210.104 2.072 10 0 BEAEMN CCN(CC1CC1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134337291 384348456 /nfs/dbraw/zinc/34/84/56/384348456.db2.gz DDNSJPLBQLLFFO-NSHDSACASA-N 0 1 247.342 2.088 10 0 BEAEMN O=Cc1cnc2cc(C(F)(F)F)[nH]cc1-2 ZINC000044700066 384355741 /nfs/dbraw/zinc/35/57/41/384355741.db2.gz AQBFPVBSGKIDJU-UHFFFAOYSA-N 0 1 214.146 2.394 10 0 BEAEMN c1ccc([C@@H]2CO[C@H](C3CC3)CN2)cc1 ZINC000095093123 384363277 /nfs/dbraw/zinc/36/32/77/384363277.db2.gz JDQUEKNXQJSOFW-STQMWFEESA-N 0 1 203.285 2.126 10 0 BEAEMN CCC[C@H](C(=O)Nc1ccccc1O)N(C)C ZINC000159324700 384323547 /nfs/dbraw/zinc/32/35/47/384323547.db2.gz ZBZWBGQTSACYOX-LLVKDONJSA-N 0 1 236.315 2.061 10 0 BEAEMN Cc1c(CN[C@@H]2CCCC[C@H]2F)cnn1C ZINC000335630731 384408733 /nfs/dbraw/zinc/40/87/33/384408733.db2.gz GHOURPVGOXEIFY-VXGBXAGGSA-N 0 1 225.311 2.099 10 0 BEAEMN CCC[C@H](C(=O)Nc1ccsc1)N(C)C ZINC000162188106 384587983 /nfs/dbraw/zinc/58/79/83/384587983.db2.gz VZOGVFBVNYVQDE-SNVBAGLBSA-N 0 1 226.345 2.417 10 0 BEAEMN c1cn(Cc2ccccc2)c(CNC2CC2)n1 ZINC000006696911 384636767 /nfs/dbraw/zinc/63/67/67/384636767.db2.gz MVHKHGRJBMUYEV-UHFFFAOYSA-N 0 1 227.311 2.183 10 0 BEAEMN Cc1ncsc1CNCc1nc(C)ccc1O ZINC000105494094 384784473 /nfs/dbraw/zinc/78/44/73/384784473.db2.gz MQGKVZAYXHLBTC-UHFFFAOYSA-N 0 1 249.339 2.150 10 0 BEAEMN CC(C)(C)c1nnc(COc2cccc(N)c2)[nH]1 ZINC000072236697 384841734 /nfs/dbraw/zinc/84/17/34/384841734.db2.gz ROQFWKVTSMNWSZ-UHFFFAOYSA-N 0 1 246.314 2.263 10 0 BEAEMN CC(C)(C)c1nc(COc2cccc(N)c2)n[nH]1 ZINC000072236697 384841743 /nfs/dbraw/zinc/84/17/43/384841743.db2.gz ROQFWKVTSMNWSZ-UHFFFAOYSA-N 0 1 246.314 2.263 10 0 BEAEMN CC[C@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000106384888 384914116 /nfs/dbraw/zinc/91/41/16/384914116.db2.gz BEMXGWBWSVXCLE-WDEREUQCSA-N 0 1 240.372 2.441 10 0 BEAEMN Cc1cnc([C@@H](C)NCCC2CCOCC2)o1 ZINC000310588825 385126620 /nfs/dbraw/zinc/12/66/20/385126620.db2.gz XRZSIWYALBKAKK-LLVKDONJSA-N 0 1 238.331 2.450 10 0 BEAEMN CC(C)(C)OC(=O)c1nc2ccc(N)cc2[nH]1 ZINC000095627159 385086261 /nfs/dbraw/zinc/08/62/61/385086261.db2.gz LFCAFPYYNMNBDK-UHFFFAOYSA-N 0 1 233.271 2.100 10 0 BEAEMN Cn1cc([C@@H]2CCCN2Cc2ccncc2)cn1 ZINC000130366682 385243553 /nfs/dbraw/zinc/24/35/53/385243553.db2.gz AVRAUGNMFTYALV-AWEZNQCLSA-N 0 1 242.326 2.152 10 0 BEAEMN Cn1cc([C@@H]2CCCN2Cc2cccn2C)cn1 ZINC000131960479 385370653 /nfs/dbraw/zinc/37/06/53/385370653.db2.gz GIUQKPXEKZBYHB-AWEZNQCLSA-N 0 1 244.342 2.096 10 0 BEAEMN C[C@H](N[C@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966259 385455564 /nfs/dbraw/zinc/45/55/64/385455564.db2.gz PIVLPBVKEYVKQP-GWCFXTLKSA-N 0 1 242.326 2.282 10 0 BEAEMN COC(=O)c1cccnc1CN1C[C@@H](C)C[C@H]1C ZINC000302310962 385510729 /nfs/dbraw/zinc/51/07/29/385510729.db2.gz IKRLOGMYBQLKLU-WDEREUQCSA-N 0 1 248.326 2.099 10 0 BEAEMN C[C@H](N[C@H]1CCCC[C@H]1CO)c1cscn1 ZINC000252787836 385659072 /nfs/dbraw/zinc/65/90/72/385659072.db2.gz GSYLWRYUBBFREX-DCAQKATOSA-N 0 1 240.372 2.345 10 0 BEAEMN C[C@H]1c2[nH]cnc2CCN1C(=O)OC(C)(C)C ZINC000253570494 385683986 /nfs/dbraw/zinc/68/39/86/385683986.db2.gz NRCVMRHBKHPTTN-QMMMGPOBSA-N 0 1 237.303 2.264 10 0 BEAEMN CN(C)c1c(C(=O)[O-])c[nH+]c2ccc(F)cc21 ZINC000040169773 385724635 /nfs/dbraw/zinc/72/46/35/385724635.db2.gz RQCYPTDWCNBSBO-UHFFFAOYSA-N 0 1 234.230 2.138 10 0 BEAEMN CC(C)C1(c2o[nH]c(=N)c2Cl)CC1 ZINC000575532519 385884516 /nfs/dbraw/zinc/88/45/16/385884516.db2.gz WEUAOSCWLMOIKV-UHFFFAOYSA-N 0 1 200.669 2.428 10 0 BEAEMN C/C=C/[C@H](N)c1ncccc1Br ZINC000575564005 386054166 /nfs/dbraw/zinc/05/41/66/386054166.db2.gz ZATKCKJVZKRBLO-KHVHVRLGSA-N 0 1 227.105 2.420 10 0 BEAEMN CCC[C@@](C)(N)c1nc(-c2ccco2)no1 ZINC000054445103 386127384 /nfs/dbraw/zinc/12/73/84/386127384.db2.gz YTYGKKUHCOLQOS-LLVKDONJSA-N 0 1 221.260 2.304 10 0 BEAEMN CC1(C)C[C@@]1(C)c1o[nH]c(=N)c1Cl ZINC000575581930 386240343 /nfs/dbraw/zinc/24/03/43/386240343.db2.gz ALTKQGVXQODLGW-VIFPVBQESA-N 0 1 200.669 2.428 10 0 BEAEMN C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000293248666 386790572 /nfs/dbraw/zinc/79/05/72/386790572.db2.gz LWGOHSVCUCHDMM-WCBMZHEXSA-N 0 1 241.718 2.313 10 0 BEAEMN C[C@@H]1OCC[C@H]1NCc1cccc(O)c1Cl ZINC000293248666 386790580 /nfs/dbraw/zinc/79/05/80/386790580.db2.gz LWGOHSVCUCHDMM-WCBMZHEXSA-N 0 1 241.718 2.313 10 0 BEAEMN CC1(C)CCCCN(c2ncnc3[nH]cnc32)C1 ZINC000408444988 386794248 /nfs/dbraw/zinc/79/42/48/386794248.db2.gz VYOBKNZJBJPCNE-UHFFFAOYSA-N 0 1 245.330 2.369 10 0 BEAEMN Cn1cc(CN2CCC[C@@H]2c2ccco2)cn1 ZINC000116288927 386930564 /nfs/dbraw/zinc/93/05/64/386930564.db2.gz JFDJPVVJHBYAPP-GFCCVEGCSA-N 0 1 231.299 2.350 10 0 BEAEMN CN[C@H](c1cccs1)c1ccccn1 ZINC000040237893 387042332 /nfs/dbraw/zinc/04/23/32/387042332.db2.gz NZOUITBVEFJYKL-NSHDSACASA-N 0 1 204.298 2.452 10 0 BEAEMN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C)n2)o1 ZINC000392423361 387079455 /nfs/dbraw/zinc/07/94/55/387079455.db2.gz SMTYFGXPQGALAR-DTWKUNHWSA-N 0 1 234.303 2.426 10 0 BEAEMN CC(C)[N@H+]1C[C@@H](C)[C@H](NCc2ccco2)C1 ZINC000228275963 387086266 /nfs/dbraw/zinc/08/62/66/387086266.db2.gz OIVJWASEHOGFHN-DGCLKSJQSA-N 0 1 222.332 2.098 10 0 BEAEMN CC1=NC(=S)N(C2(C(F)F)CC2)C1 ZINC000575586361 387144865 /nfs/dbraw/zinc/14/48/65/387144865.db2.gz YSDIIPZZUXLFSD-UHFFFAOYSA-N 0 1 204.245 2.234 10 0 BEAEMN OCc1ccc(O)c(Br)c1Cl ZINC000575675309 387357711 /nfs/dbraw/zinc/35/77/11/387357711.db2.gz HUOMQZAEQFVCEK-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN CCC1(NCc2csc(COC)n2)CC1 ZINC000648684224 387498025 /nfs/dbraw/zinc/49/80/25/387498025.db2.gz KVPCSEMQQZNUGJ-UHFFFAOYSA-N 0 1 226.345 2.322 10 0 BEAEMN Cc1cocc1-c1o[nH]c(=N)c1Br ZINC000575538767 387581835 /nfs/dbraw/zinc/58/18/35/387581835.db2.gz PRULUJDRRFVNNM-UHFFFAOYSA-N 0 1 243.060 2.418 10 0 BEAEMN CC(=O)c1cc(O)cc(C(F)F)c1C#N ZINC000575644311 387872325 /nfs/dbraw/zinc/87/23/25/387872325.db2.gz XZGNZAGAMGAXBY-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN Cl/C=C/CN1CCC(c2cc[nH]n2)CC1 ZINC000195513416 387923313 /nfs/dbraw/zinc/92/33/13/387923313.db2.gz KRJYFHVDNRFBKO-ORCRQEGFSA-N 0 1 225.723 2.342 10 0 BEAEMN CCN(C)[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000245855525 387987860 /nfs/dbraw/zinc/98/78/60/387987860.db2.gz OJZMSKGYVKCORR-UBHSHLNASA-N 0 1 246.354 2.204 10 0 BEAEMN c1cc2nc([C@H]3CCSC3)[nH]c2cn1 ZINC000069985654 388077234 /nfs/dbraw/zinc/07/72/34/388077234.db2.gz RRLXZVJYPOYMNO-ZETCQYMHSA-N 0 1 205.286 2.178 10 0 BEAEMN c1cc2[nH]c([C@H]3CCSC3)nc2cn1 ZINC000069985654 388077237 /nfs/dbraw/zinc/07/72/37/388077237.db2.gz RRLXZVJYPOYMNO-ZETCQYMHSA-N 0 1 205.286 2.178 10 0 BEAEMN Cc1cnc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)o1 ZINC000229726652 388397465 /nfs/dbraw/zinc/39/74/65/388397465.db2.gz UJBZIRGSKUVYBT-WCQYABFASA-N 0 1 249.358 2.042 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000247534467 388666730 /nfs/dbraw/zinc/66/67/30/388666730.db2.gz OOEVLCLTJMIMDS-CHWSQXEVSA-N 0 1 248.374 2.371 10 0 BEAEMN C(SC1CCOCC1)c1n[nH]c(C2CC2)n1 ZINC000179873475 533375813 /nfs/dbraw/zinc/37/58/13/533375813.db2.gz RTRWNPCYUJRQBH-UHFFFAOYSA-N 0 1 239.344 2.094 10 0 BEAEMN Cc1ccnc(N2CCC(C)CC2)c1N ZINC000036245161 132341394 /nfs/dbraw/zinc/34/13/94/132341394.db2.gz VSLNCVZAXQHKPX-UHFFFAOYSA-N 0 1 205.305 2.209 10 0 BEAEMN Cc1oncc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336118925 134089439 /nfs/dbraw/zinc/08/94/39/134089439.db2.gz BUKFCQPOIKOUPL-MNOVXSKESA-N 0 1 242.269 2.460 10 0 BEAEMN O=C(C1CCCC1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179341401 134320497 /nfs/dbraw/zinc/32/04/97/134320497.db2.gz XZFQEDAGMOGKEQ-NSHDSACASA-N 0 1 248.330 2.049 10 0 BEAEMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CCC[C@H]1C ZINC000230170442 134485630 /nfs/dbraw/zinc/48/56/30/134485630.db2.gz GUTFTYTUJVUQJP-ZWNOBZJWSA-N 0 1 249.358 2.203 10 0 BEAEMN CC(C)[C@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000189635173 134549683 /nfs/dbraw/zinc/54/96/83/134549683.db2.gz LUUWGFNQIRDBQQ-JTQLQIEISA-N 0 1 249.358 2.453 10 0 BEAEMN O=C(C[C@@H]1C=CCC1)N1CCN2CCCC[C@H]2C1 ZINC000250123909 135049744 /nfs/dbraw/zinc/04/97/44/135049744.db2.gz JLDXYTUMIOQLNF-KGLIPLIRSA-N 0 1 248.370 2.039 10 0 BEAEMN CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCSC ZINC000251827738 135079211 /nfs/dbraw/zinc/07/92/11/135079211.db2.gz PSSMYUISDWGELX-OLZOCXBDSA-N 0 1 242.432 2.298 10 0 BEAEMN FC(F)(F)[C@@H]1CCCC[C@@H]1NC1COC1 ZINC000087195056 135111113 /nfs/dbraw/zinc/11/11/13/135111113.db2.gz IFTCBLNGJQYNDY-BDAKNGLRSA-N 0 1 223.238 2.096 10 0 BEAEMN CCC1(O)CN(Cc2cc(C)ccc2C)C1 ZINC000084360563 135213723 /nfs/dbraw/zinc/21/37/23/135213723.db2.gz HTEVLQUQWHHCDC-UHFFFAOYSA-N 0 1 219.328 2.260 10 0 BEAEMN CC1(c2nc(C3(N)CCCCC3)no2)CC1 ZINC000261583021 135223982 /nfs/dbraw/zinc/22/39/82/135223982.db2.gz OTTMRECXQXWOPG-UHFFFAOYSA-N 0 1 221.304 2.239 10 0 BEAEMN Cc1cc(/C=C/[C@H]2COCCN2)cs1 ZINC000307134985 397987020 /nfs/dbraw/zinc/98/70/20/397987020.db2.gz PHRBUWHJXROODL-VUDBWIFFSA-N 0 1 209.314 2.058 10 0 BEAEMN COC(=O)[C@@H]1CCCCN1CCC=C(C)C ZINC000595285167 397987102 /nfs/dbraw/zinc/98/71/02/397987102.db2.gz MZZUWLJTCSSXLQ-LBPRGKRZSA-N 0 1 225.332 2.370 10 0 BEAEMN CCC[C@H]1C[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000674485983 487587470 /nfs/dbraw/zinc/58/74/70/487587470.db2.gz OOTRUIRFBYSGRO-CABZTGNLSA-N 0 1 247.342 2.207 10 0 BEAEMN C=Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000409422746 409995847 /nfs/dbraw/zinc/99/58/47/409995847.db2.gz IGQUDHTXURJJDX-CYBMUJFWSA-N 0 1 231.295 2.236 10 0 BEAEMN Brc1ccc([C@@H]2NCCCO2)cc1 ZINC000049830860 166099450 /nfs/dbraw/zinc/09/94/50/166099450.db2.gz BMAUQJVSPVOCPV-SNVBAGLBSA-N 0 1 242.116 2.458 10 0 BEAEMN Brc1cccc([C@H]2NCCCO2)c1 ZINC000049830859 166101111 /nfs/dbraw/zinc/10/11/11/166101111.db2.gz VIVBYMPAUYINMV-JTQLQIEISA-N 0 1 242.116 2.458 10 0 BEAEMN c1cc2c(o1)CCC[C@H]2NCc1cn[nH]c1 ZINC000111356903 410223601 /nfs/dbraw/zinc/22/36/01/410223601.db2.gz OBSSYJGLVAGZBM-LLVKDONJSA-N 0 1 217.272 2.170 10 0 BEAEMN Cc1cccc(CNCc2ccc(CO)cc2)n1 ZINC000133070538 410433873 /nfs/dbraw/zinc/43/38/73/410433873.db2.gz WYCTVIWIMSHZBQ-UHFFFAOYSA-N 0 1 242.322 2.172 10 0 BEAEMN CC(C)Nc1ncnc(Nc2ccncc2)c1N ZINC000040687507 167151271 /nfs/dbraw/zinc/15/12/71/167151271.db2.gz WFPXASCEWZYGBZ-UHFFFAOYSA-N 0 1 244.302 2.018 10 0 BEAEMN CC(C)OCCN1Cc2ccc(N)cc2C1 ZINC000049260249 167237606 /nfs/dbraw/zinc/23/76/06/167237606.db2.gz VLPZTAONVJGJJI-UHFFFAOYSA-N 0 1 220.316 2.009 10 0 BEAEMN CC(C)Oc1cccc(-c2ncc(CO)[nH]2)c1 ZINC000062820636 167305442 /nfs/dbraw/zinc/30/54/42/167305442.db2.gz GHQDFCNJKJHADG-UHFFFAOYSA-N 0 1 232.283 2.356 10 0 BEAEMN CC1CC(c2nc([C@H]3CCCN3)no2)C1 ZINC000309524416 411162930 /nfs/dbraw/zinc/16/29/30/411162930.db2.gz UPIFHBFOVCJMBZ-AMDVSUOASA-N 0 1 207.277 2.008 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1F ZINC000044623558 411138817 /nfs/dbraw/zinc/13/88/17/411138817.db2.gz FHEKMFKEWKFCQO-JTQLQIEISA-N 0 1 243.253 2.260 10 0 BEAEMN Cc1cccc(Cn2[nH]c3c(c2=O)CCC3)c1 ZINC000109361934 411150474 /nfs/dbraw/zinc/15/04/74/411150474.db2.gz JEVGSCUORJZZGJ-LBPRGKRZSA-N 0 1 228.295 2.493 10 0 BEAEMN CC(C)[C@H](C)NC(=O)[C@H]1NCCc2ccccc21 ZINC000043512515 411120398 /nfs/dbraw/zinc/12/03/98/411120398.db2.gz AQHGKIYKDJAZLU-FZMZJTMJSA-N 0 1 246.354 2.034 10 0 BEAEMN C[C@@H]1C[C@H](NCc2ncn(C)n2)CC(C)(C)C1 ZINC000092851210 411270358 /nfs/dbraw/zinc/27/03/58/411270358.db2.gz ZAKOLTPQSPRPKA-MNOVXSKESA-N 0 1 236.363 2.120 10 0 BEAEMN CC1CCC(N)(c2noc(C(F)(F)F)n2)CC1 ZINC000036764950 168160320 /nfs/dbraw/zinc/16/03/20/168160320.db2.gz DQLUWGMLARFAMD-UHFFFAOYSA-N 0 1 249.236 2.453 10 0 BEAEMN CCC(C)(C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000019844548 168303400 /nfs/dbraw/zinc/30/34/00/168303400.db2.gz TXEQKFDVQIZMJW-UHFFFAOYSA-N 0 1 208.261 2.380 10 0 BEAEMN CCC(C)(C)c1nc([C@@H](N)C2CC2)no1 ZINC000054404366 168307390 /nfs/dbraw/zinc/30/73/90/168307390.db2.gz OVKDWDPGMOIMDX-QMMMGPOBSA-N 0 1 209.293 2.167 10 0 BEAEMN Cc1nc([C@@H](C)NC2CC(CO)C2)c(C)s1 ZINC000658357558 411418552 /nfs/dbraw/zinc/41/85/52/411418552.db2.gz VUBYGKUKCLCYKB-CAZGOSDBSA-N 0 1 240.372 2.181 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657421932 411503230 /nfs/dbraw/zinc/50/32/30/411503230.db2.gz SBNPBENXTAYPBS-GMSGAONNSA-N 0 1 245.244 2.371 10 0 BEAEMN CCN1CCN[C@@H](c2ccccc2Cl)C1 ZINC000034155292 170001042 /nfs/dbraw/zinc/00/10/42/170001042.db2.gz KCUSNCLJEYORCP-GFCCVEGCSA-N 0 1 224.735 2.306 10 0 BEAEMN CCNC(=O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000036780367 170065017 /nfs/dbraw/zinc/06/50/17/170065017.db2.gz JGMVIIUJPKKICS-ZETCQYMHSA-N 0 1 246.763 2.188 10 0 BEAEMN CCNC(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000035138677 170065334 /nfs/dbraw/zinc/06/53/34/170065334.db2.gz LAAVRPCSNWWNMD-SECBINFHSA-N 0 1 240.734 2.127 10 0 BEAEMN CCNCC(=O)c1ccc(OC(C)C)cc1 ZINC000041613287 170110269 /nfs/dbraw/zinc/11/02/69/170110269.db2.gz VIJMNGDSQIMCHP-UHFFFAOYSA-N 0 1 221.300 2.266 10 0 BEAEMN CCNCc1cnn(-c2ccc(Cl)cc2)n1 ZINC000051174664 170130163 /nfs/dbraw/zinc/13/01/63/170130163.db2.gz DPHKKHOFIDKMQD-UHFFFAOYSA-N 0 1 236.706 2.030 10 0 BEAEMN CCNCc1nnc(-c2cc(F)ccc2F)o1 ZINC000050615559 170131664 /nfs/dbraw/zinc/13/16/64/170131664.db2.gz ZQQXRULMWJGXKR-UHFFFAOYSA-N 0 1 239.225 2.124 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2ccc(C)o2)o1 ZINC000050618811 170142858 /nfs/dbraw/zinc/14/28/58/170142858.db2.gz IBBHIGLFTYXFSJ-QMMMGPOBSA-N 0 1 221.260 2.309 10 0 BEAEMN CCN[C@@H](c1cccnc1)c1ccccn1 ZINC000037761915 170148481 /nfs/dbraw/zinc/14/84/81/170148481.db2.gz OIQZXYYGLXWXJS-ZDUSSCGKSA-N 0 1 213.284 2.176 10 0 BEAEMN CCN[C@H](c1cccs1)c1cnccn1 ZINC000040237957 170149308 /nfs/dbraw/zinc/14/93/08/170149308.db2.gz DYNQASYYFLKPMC-NSHDSACASA-N 0 1 219.313 2.237 10 0 BEAEMN CCN[C@H](C)C(=O)c1cc(CC)ccc1OC ZINC000071545975 170156865 /nfs/dbraw/zinc/15/68/65/170156865.db2.gz XNILSUZXYLMOLY-SNVBAGLBSA-N 0 1 235.327 2.438 10 0 BEAEMN CCN[C@H](CC)c1nnc([C@@H]2CCCCO2)o1 ZINC000061512436 170161383 /nfs/dbraw/zinc/16/13/83/170161383.db2.gz DHFSBQHVOQJIEC-ZJUUUORDSA-N 0 1 239.319 2.372 10 0 BEAEMN CCNc1nc(=S)[nH]c(NC(C)(C)C)n1 ZINC000034257448 170177281 /nfs/dbraw/zinc/17/72/81/170177281.db2.gz XDRGNXNWMORVQP-UHFFFAOYSA-N 0 1 227.337 2.176 10 0 BEAEMN CCOC(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114564109 170219486 /nfs/dbraw/zinc/21/94/86/170219486.db2.gz HMWDNHPLNUBDLI-AWEZNQCLSA-N 0 1 237.343 2.372 10 0 BEAEMN CCOC(=O)c1c[nH]c2sc(C)cc2c1=O ZINC000034582590 170289622 /nfs/dbraw/zinc/28/96/22/170289622.db2.gz HGVDXSRUYKLDSO-UHFFFAOYSA-N 0 1 237.280 2.075 10 0 BEAEMN CC[C@@H](N)c1noc(-c2cccc(C)c2)n1 ZINC000041052446 170873638 /nfs/dbraw/zinc/87/36/38/170873638.db2.gz NAPSHTBLTZWPKL-SNVBAGLBSA-N 0 1 217.272 2.455 10 0 BEAEMN CC[C@@H]1CO[C@@H](c2c(F)cccc2F)CN1 ZINC000036672886 171109107 /nfs/dbraw/zinc/10/91/07/171109107.db2.gz RWSHEMRANSDBOK-LDYMZIIASA-N 0 1 227.254 2.404 10 0 BEAEMN CC[C@@H]1CO[C@H](C)CN1CCC(=O)C(C)(C)C ZINC000054026705 171112144 /nfs/dbraw/zinc/11/21/44/171112144.db2.gz LBKSAAKRHYOKPA-VXGBXAGGSA-N 0 1 241.375 2.491 10 0 BEAEMN CC[C@@](C)(N)c1noc(C2CCCC2)n1 ZINC000041052939 171172131 /nfs/dbraw/zinc/17/21/31/171172131.db2.gz ONNDOCAAUUAFAZ-LLVKDONJSA-N 0 1 209.293 2.311 10 0 BEAEMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccs1 ZINC000032015430 171310746 /nfs/dbraw/zinc/31/07/46/171310746.db2.gz LYNAJGNYHMWGHM-VIFPVBQESA-N 0 1 227.329 2.433 10 0 BEAEMN CC[C@](C)(N)c1noc(-c2ccccc2)n1 ZINC000042290299 171696678 /nfs/dbraw/zinc/69/66/78/171696678.db2.gz MXVLUWCYPVLYDQ-LBPRGKRZSA-N 0 1 217.272 2.321 10 0 BEAEMN CCc1[nH+]ccn1C[C@@H](C(=O)[O-])c1ccccc1 ZINC000062758373 172024580 /nfs/dbraw/zinc/02/45/80/172024580.db2.gz LAVIHZFIIALBLJ-GFCCVEGCSA-N 0 1 244.294 2.314 10 0 BEAEMN CCc1[nH+]ccn1Cc1cc(C(=O)[O-])oc1C ZINC000051361334 172027194 /nfs/dbraw/zinc/02/71/94/172027194.db2.gz BLPFOAFHMKRXRL-UHFFFAOYSA-N 0 1 234.255 2.093 10 0 BEAEMN C[N@H+]1CCCC1=CC=C1SC(=S)[N-]C1=O ZINC000020220350 173001092 /nfs/dbraw/zinc/00/10/92/173001092.db2.gz CVJBCVRBBBKQDB-NIQPXEJBSA-N 0 1 240.353 2.468 10 0 BEAEMN CN1CCCN(c2c(N)cccc2Cl)CC1 ZINC000020217465 173016742 /nfs/dbraw/zinc/01/67/42/173016742.db2.gz PGWLNJLUTMIJIY-UHFFFAOYSA-N 0 1 239.750 2.064 10 0 BEAEMN CN1CC[C@H](Nc2cc(F)cc(F)c2F)C1 ZINC000061989924 173154755 /nfs/dbraw/zinc/15/47/55/173154755.db2.gz YDGJPGXFEHJXDH-QMMMGPOBSA-N 0 1 230.233 2.220 10 0 BEAEMN CN1CC[C@H](Nc2ccc(F)c(F)c2F)C1 ZINC000061984561 173155135 /nfs/dbraw/zinc/15/51/35/173155135.db2.gz DSRZUSYVIFAOIH-ZETCQYMHSA-N 0 1 230.233 2.220 10 0 BEAEMN CNCc1c(F)ccc(Br)c1F ZINC000083362916 173385263 /nfs/dbraw/zinc/38/52/63/173385263.db2.gz WWESSUXSBSNBRW-UHFFFAOYSA-N 0 1 236.059 2.447 10 0 BEAEMN CNCc1cc(CN(C)c2ccc(F)cc2)on1 ZINC000052540492 173386920 /nfs/dbraw/zinc/38/69/20/173386920.db2.gz JVSLKJBMZJDLGF-UHFFFAOYSA-N 0 1 249.289 2.170 10 0 BEAEMN CNCc1csc(Cc2ccccc2)n1 ZINC000040999573 173393718 /nfs/dbraw/zinc/39/37/18/173393718.db2.gz JWHPMWDTNIBHIG-UHFFFAOYSA-N 0 1 218.325 2.453 10 0 BEAEMN CNCc1nc(C(C)C)ncc1OC1CCC1 ZINC000051521904 173394486 /nfs/dbraw/zinc/39/44/86/173394486.db2.gz DXTXBEZJNMADLI-UHFFFAOYSA-N 0 1 235.331 2.251 10 0 BEAEMN CNCc1nccn1Cc1ccc(Cl)cc1 ZINC000051004594 173397497 /nfs/dbraw/zinc/39/74/97/173397497.db2.gz IGWMXMKFEWEHTI-UHFFFAOYSA-N 0 1 235.718 2.304 10 0 BEAEMN CNCc1nnc(-c2ccccc2Cl)o1 ZINC000048655172 173397961 /nfs/dbraw/zinc/39/79/61/173397961.db2.gz RTFWHCJWUCXDNI-UHFFFAOYSA-N 0 1 223.663 2.109 10 0 BEAEMN CNCc1nnc(-c2c(F)cccc2Cl)o1 ZINC000050615321 173398013 /nfs/dbraw/zinc/39/80/13/173398013.db2.gz PFNBDPPWRBWPCH-UHFFFAOYSA-N 0 1 241.653 2.249 10 0 BEAEMN COc1cc2ccn(C)c3cc[nH+]c(c1[O-])c23 ZINC000038313430 175027275 /nfs/dbraw/zinc/02/72/75/175027275.db2.gz FTOJYZQUGOVWIX-UHFFFAOYSA-N 0 1 228.251 2.441 10 0 BEAEMN COc1ccc(-c2cnc(CN)s2)cc1 ZINC000045206055 175036341 /nfs/dbraw/zinc/03/63/41/175036341.db2.gz PNOHNGXGIIIRDP-UHFFFAOYSA-N 0 1 220.297 2.277 10 0 BEAEMN COc1ccc(C(=O)[C@H]2CCCCN2)cc1 ZINC000058327569 175066398 /nfs/dbraw/zinc/06/63/98/175066398.db2.gz HYUMMIOGCXBFRA-GFCCVEGCSA-N 0 1 219.284 2.020 10 0 BEAEMN COc1ccc(C)cc1[C@@H]1CSCCN1 ZINC000041243333 175080706 /nfs/dbraw/zinc/08/07/06/175080706.db2.gz UCTQUVCVQOGZHB-NSHDSACASA-N 0 1 223.341 2.381 10 0 BEAEMN COc1ccc(F)cc1[C@H](N)c1ccncc1 ZINC000034957091 175134509 /nfs/dbraw/zinc/13/45/09/175134509.db2.gz YPXZIDLWTLVHDR-CYBMUJFWSA-N 0 1 232.258 2.277 10 0 BEAEMN COc1ccc([C@H](C)NCc2cncnc2)cc1 ZINC000112344493 175189602 /nfs/dbraw/zinc/18/96/02/175189602.db2.gz XZLXPEOLRWZYNK-NSHDSACASA-N 0 1 243.310 2.336 10 0 BEAEMN COc1ccc([C@H]2NCCS2)cc1C ZINC000033885552 175199437 /nfs/dbraw/zinc/19/94/37/175199437.db2.gz ICIIFALJCTZJPJ-NSHDSACASA-N 0 1 209.314 2.339 10 0 BEAEMN COc1ccc2[nH]c3c([nH]c(=S)[nH]c3=O)c2c1 ZINC000073668175 175202070 /nfs/dbraw/zinc/20/20/70/175202070.db2.gz BPWAGGZPKRMKIE-UHFFFAOYSA-N 0 1 247.279 2.488 10 0 BEAEMN COc1ccc2nc([C@H](N)C(C)C)oc2c1 ZINC000098096164 175229974 /nfs/dbraw/zinc/22/99/74/175229974.db2.gz DCBJONJZQDMPFK-LLVKDONJSA-N 0 1 220.272 2.492 10 0 BEAEMN COc1ccccc1[C@H](C)NCc1ccnn1C ZINC000036901162 175351879 /nfs/dbraw/zinc/35/18/79/175351879.db2.gz LZQJXNSNMDPSBE-NSHDSACASA-N 0 1 245.326 2.280 10 0 BEAEMN COc1ncccc1[C@@H](N)c1cccs1 ZINC000061443114 175410975 /nfs/dbraw/zinc/41/09/75/175410975.db2.gz MDZXXLKSDGNRGE-SNVBAGLBSA-N 0 1 220.297 2.200 10 0 BEAEMN C[C@@H](N)c1nnc(Cc2cccc(F)c2)s1 ZINC000083337467 175821744 /nfs/dbraw/zinc/82/17/44/175821744.db2.gz NFLRLYSNIYLGBL-SSDOTTSWSA-N 0 1 237.303 2.288 10 0 BEAEMN C[C@@H](N)c1noc([C@H]2CCOc3ccccc32)n1 ZINC000104203716 175822040 /nfs/dbraw/zinc/82/20/40/175822040.db2.gz PPVMUYNERIGTNF-SCZZXKLOSA-N 0 1 245.282 2.004 10 0 BEAEMN C[C@@H]1CCC[C@](N)(C(=O)OC2CCCC2)C1 ZINC000041036820 176152381 /nfs/dbraw/zinc/15/23/81/176152381.db2.gz MAGCLUOVIYWTAD-ZWNOBZJWSA-N 0 1 225.332 2.380 10 0 BEAEMN C[C@H]1CN(CC(=O)c2ccccc2)C[C@H]1C ZINC000039109876 176284571 /nfs/dbraw/zinc/28/45/71/176284571.db2.gz GRSOHFFQZNBUTE-TXEJJXNPSA-N 0 1 217.312 2.457 10 0 BEAEMN C[C@@H]1CNC[C@@H](c2cc(F)ccc2F)O1 ZINC000036986400 176328891 /nfs/dbraw/zinc/32/88/91/176328891.db2.gz OGCNUJJIONCYEV-HQJQHLMTSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H](O)c1ccccc1NCc1cnc[nH]1 ZINC000054765232 177017988 /nfs/dbraw/zinc/01/79/88/177017988.db2.gz PJUMSFHNWWXCPD-VIFPVBQESA-N 0 1 217.272 2.075 10 0 BEAEMN C[C@H](O)c1nc2cccc(Br)c2[nH]1 ZINC000057348336 177018876 /nfs/dbraw/zinc/01/88/76/177018876.db2.gz GYFRPZWIOVGASB-YFKPBYRVSA-N 0 1 241.088 2.379 10 0 BEAEMN C[C@H](OC(=O)C(C)(C)N)c1ccccc1 ZINC000048635946 177019531 /nfs/dbraw/zinc/01/95/31/177019531.db2.gz SQYOXDYWTUSEAM-VIFPVBQESA-N 0 1 207.273 2.028 10 0 BEAEMN C[C@H]1CCCC[N@@H+]1Cc1csc(C(=O)[O-])n1 ZINC000036902684 177077783 /nfs/dbraw/zinc/07/77/83/177077783.db2.gz FHVQMTZNRHBKTD-QMMMGPOBSA-N 0 1 240.328 2.216 10 0 BEAEMN C[C@H]1CCCC[N@H+]1Cc1csc(C(=O)[O-])n1 ZINC000036902684 177077786 /nfs/dbraw/zinc/07/77/86/177077786.db2.gz FHVQMTZNRHBKTD-QMMMGPOBSA-N 0 1 240.328 2.216 10 0 BEAEMN C[C@H]1CCC[N@H+](Cc2csc(C(=O)[O-])n2)C1 ZINC000036902691 177101961 /nfs/dbraw/zinc/10/19/61/177101961.db2.gz UYVHWFYSEWASIO-QMMMGPOBSA-N 0 1 240.328 2.073 10 0 BEAEMN C[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])n2)C1 ZINC000036902691 177101964 /nfs/dbraw/zinc/10/19/64/177101964.db2.gz UYVHWFYSEWASIO-QMMMGPOBSA-N 0 1 240.328 2.073 10 0 BEAEMN C[C@H]1CCC[C@@](CO)(NCc2cscn2)C1 ZINC000053117428 177127951 /nfs/dbraw/zinc/12/79/51/177127951.db2.gz CICZHGLUYNPLFD-CMPLNLGQSA-N 0 1 240.372 2.174 10 0 BEAEMN C[C@H]1CCC[C@H]([N@@H+](C)C(C)(C)C(=O)[O-])C1 ZINC000042491632 177134200 /nfs/dbraw/zinc/13/42/00/177134200.db2.gz ONCPVNNTQCZBQF-UWVGGRQHSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1csnn1 ZINC000036901960 177137427 /nfs/dbraw/zinc/13/74/27/177137427.db2.gz VCTUKORKCFBIDB-NGZCFLSTSA-N 0 1 225.361 2.452 10 0 BEAEMN C[C@H]1CN(C[C@@H]2Cc3ccccc32)CCC1=O ZINC000090992917 177258094 /nfs/dbraw/zinc/25/80/94/177258094.db2.gz SNAVTYDAIZRQPY-AAEUAGOBSA-N 0 1 229.323 2.237 10 0 BEAEMN C[C@H]1CN(Cc2cccc3nccn32)CCS1 ZINC000180041382 177265010 /nfs/dbraw/zinc/26/50/10/177265010.db2.gz ARWDLLMJKPGUNA-NSHDSACASA-N 0 1 247.367 2.272 10 0 BEAEMN C[C@H]1CNC[C@@H](c2ccc(Cl)s2)O1 ZINC000035286468 177285979 /nfs/dbraw/zinc/28/59/79/177285979.db2.gz SHDWLCJZQZRVPB-BQBZGAKWSA-N 0 1 217.721 2.451 10 0 BEAEMN C[C@H]1CO[C@@H](c2cc(F)ccc2F)CN1 ZINC000036673465 177300071 /nfs/dbraw/zinc/30/00/71/177300071.db2.gz LQUOGVNESKSVEG-WRWORJQWSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H]1C[C@@H]1C[N@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000104413990 177342756 /nfs/dbraw/zinc/34/27/56/177342756.db2.gz CQUXZLQDDNGIOR-DTWKUNHWSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@H]1C[C@@H]1C[N@@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000104413990 177342757 /nfs/dbraw/zinc/34/27/57/177342757.db2.gz CQUXZLQDDNGIOR-DTWKUNHWSA-N 0 1 234.299 2.059 10 0 BEAEMN C[C@@]1(C[N@@H+]2CCN3CCC[C@@H]3C2)CCCS1 ZINC000087794129 487688507 /nfs/dbraw/zinc/68/85/07/487688507.db2.gz IBSDPYGDUNCBNZ-OLZOCXBDSA-N 0 1 240.416 2.052 10 0 BEAEMN C[C@H](CO)CN1CCCC[C@@H]1c1nccs1 ZINC000120764957 490068856 /nfs/dbraw/zinc/06/88/56/490068856.db2.gz HDAOWXBDVBECQY-WDEREUQCSA-N 0 1 240.372 2.299 10 0 BEAEMN O=C1[C@H]2CCCC2=NN1c1ccc(F)cc1 ZINC000104707259 487712991 /nfs/dbraw/zinc/71/29/91/487712991.db2.gz IPSHRTUJXDCZNI-JTQLQIEISA-N 0 1 218.231 2.328 10 0 BEAEMN O=c1c2c([nH]n1-c1ccc(F)cc1)CCC2 ZINC000104707259 487712996 /nfs/dbraw/zinc/71/29/96/487712996.db2.gz IPSHRTUJXDCZNI-JTQLQIEISA-N 0 1 218.231 2.328 10 0 BEAEMN O=C1[C@H]2CCCC2=NN1c1ccc(F)cc1F ZINC000104707194 487713025 /nfs/dbraw/zinc/71/30/25/487713025.db2.gz BVJIVMNSSNTXDP-QMMMGPOBSA-N 0 1 236.221 2.468 10 0 BEAEMN O=c1c2c([nH]n1-c1ccc(F)cc1F)CCC2 ZINC000104707194 487713031 /nfs/dbraw/zinc/71/30/31/487713031.db2.gz BVJIVMNSSNTXDP-QMMMGPOBSA-N 0 1 236.221 2.468 10 0 BEAEMN Cc1ccccc1N1N=C2CCC[C@H]2C1=O ZINC000104707265 487713138 /nfs/dbraw/zinc/71/31/38/487713138.db2.gz YDMCOCXOSVGTHL-SNVBAGLBSA-N 0 1 214.268 2.498 10 0 BEAEMN Cc1ccccc1-n1[nH]c2c(c1=O)CCC2 ZINC000104707265 487713143 /nfs/dbraw/zinc/71/31/43/487713143.db2.gz YDMCOCXOSVGTHL-SNVBAGLBSA-N 0 1 214.268 2.498 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C[C@@H]1C ZINC000385406219 487785296 /nfs/dbraw/zinc/78/52/96/487785296.db2.gz PXGAMZRNNIWTMH-MNOVXSKESA-N 0 1 248.326 2.258 10 0 BEAEMN CN1Cc2ccc(NCC3(O)CCCC3)cc2C1 ZINC000566851253 326087672 /nfs/dbraw/zinc/08/76/72/326087672.db2.gz RRDXGXGPARMVDT-UHFFFAOYSA-N 0 1 246.354 2.349 10 0 BEAEMN C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268183917 326169202 /nfs/dbraw/zinc/16/92/02/326169202.db2.gz XGEHTEGCPXEUJA-SCVCMEIPSA-N 0 1 247.342 2.134 10 0 BEAEMN C[C@@H]1CC[C@H](c2nc(C3(N)CCCC3)no2)O1 ZINC000158527516 326326548 /nfs/dbraw/zinc/32/65/48/326326548.db2.gz YQHRLNUUOHMWOX-RKDXNWHRSA-N 0 1 237.303 2.038 10 0 BEAEMN CCO[C@H]1C[C@@H](N(C)Cc2cncnc2)C1(C)C ZINC000129949465 490183647 /nfs/dbraw/zinc/18/36/47/490183647.db2.gz XMKLHAIQMQRHAH-OLZOCXBDSA-N 0 1 249.358 2.112 10 0 BEAEMN C[C@H]1CCC[C@]2(CC1)NC1(COC1)CCO2 ZINC000757151944 582536103 /nfs/dbraw/zinc/53/61/03/582536103.db2.gz UHFKCQRWVIQDGJ-AAEUAGOBSA-N 0 1 225.332 2.062 10 0 BEAEMN CC[C@H]1CCC[C@]2(CC1)NC1(COC1)CCO2 ZINC000757153856 582538003 /nfs/dbraw/zinc/53/80/03/582538003.db2.gz ZPZSBZKSFDYYRE-JSGCOSHPSA-N 0 1 239.359 2.452 10 0 BEAEMN CCCCNCc1nc(CC(C)C)no1 ZINC000057340829 520693932 /nfs/dbraw/zinc/69/39/32/520693932.db2.gz LOYIXYMKGPPZKX-UHFFFAOYSA-N 0 1 211.309 2.158 10 0 BEAEMN CCC[C@@H](N)c1noc(C(F)(F)Cl)n1 ZINC000095532815 520726992 /nfs/dbraw/zinc/72/69/92/520726992.db2.gz BZQUUPMIBGWJCU-SCSAIBSYSA-N 0 1 225.626 2.158 10 0 BEAEMN CC(C)CN1CCN(c2ccc(C=O)cc2)CC1 ZINC000002458169 535105721 /nfs/dbraw/zinc/10/57/21/535105721.db2.gz BXGDQHQHDFQGSZ-UHFFFAOYSA-N 0 1 246.354 2.277 10 0 BEAEMN CCNc1cc(C)nc(N2CCCCC2)n1 ZINC000050848884 535519312 /nfs/dbraw/zinc/51/93/12/535519312.db2.gz ISHMDIRPXNQKRZ-UHFFFAOYSA-N 0 1 220.320 2.207 10 0 BEAEMN CCn1c(C)nnc1CN(C(C)C)C(C)C ZINC000183050529 535970854 /nfs/dbraw/zinc/97/08/54/535970854.db2.gz DGIUSOXTPQVYBS-UHFFFAOYSA-N 0 1 224.352 2.225 10 0 BEAEMN CCCCn1[nH]c(-c2ccnn2C)cc1=S ZINC000725257842 538069604 /nfs/dbraw/zinc/06/96/04/538069604.db2.gz YIOSNPWPULQDNX-UHFFFAOYSA-N 0 1 236.344 2.372 10 0 BEAEMN CCC(C(=O)C(F)(F)F)=C(O)C1CC1 ZINC000308530489 566298470 /nfs/dbraw/zinc/29/84/70/566298470.db2.gz JZUVDXPHSCFLPJ-LURJTMIESA-N 0 1 208.179 2.123 10 0 BEAEMN COc1ccc([C@H]2CCO[C@H](C)N2)cc1 ZINC000757143384 582523636 /nfs/dbraw/zinc/52/36/36/582523636.db2.gz WMRLINFWQQPDEE-BXKDBHETSA-N 0 1 207.273 2.092 10 0 BEAEMN CC(C)C1CCC2(CC1)NC1(COC1)CCO2 ZINC000757145102 582527477 /nfs/dbraw/zinc/52/74/77/582527477.db2.gz HSLHSHUJAYZARI-UHFFFAOYSA-N 0 1 239.359 2.308 10 0 BEAEMN CCC1CCC2(CC1)NC1(COC1)CCO2 ZINC000757146307 582529814 /nfs/dbraw/zinc/52/98/14/582529814.db2.gz KETIFGXXAFHZSE-UHFFFAOYSA-N 0 1 225.332 2.062 10 0 BEAEMN CC(C)[C@@H]1CCC[C@]2(C1)NC1(COC1)CCO2 ZINC000757152597 582537128 /nfs/dbraw/zinc/53/71/28/582537128.db2.gz UTYAVWVNLTYSSW-OCCSQVGLSA-N 0 1 239.359 2.308 10 0 BEAEMN CC(C)N1CCN(Cc2ccc(C=O)cc2)CC1 ZINC000113695559 588850819 /nfs/dbraw/zinc/85/08/19/588850819.db2.gz HSFHUVBRJAJRHV-UHFFFAOYSA-N 0 1 246.354 2.025 10 0 BEAEMN CC[C@@H]1CCC[C@H](NC(=O)c2cnccc2N)C1 ZINC000128044689 582825321 /nfs/dbraw/zinc/82/53/21/582825321.db2.gz GXLXTGZXJUZONS-MNOVXSKESA-N 0 1 247.342 2.362 10 0 BEAEMN C[C@H](C(=O)C(F)F)C(=O)C1CCCC1 ZINC000387403437 582865164 /nfs/dbraw/zinc/86/51/64/582865164.db2.gz BDEZNGTVNCYHCO-LURJTMIESA-N 0 1 204.216 2.216 10 0 BEAEMN Cc1nn(C)cc1[C@@H]1NCCc2sccc21 ZINC000397156662 583097766 /nfs/dbraw/zinc/09/77/66/583097766.db2.gz OPQIWRGEUPPWFK-GFCCVEGCSA-N 0 1 233.340 2.025 10 0 BEAEMN CCn1cc([C@@H]2NCCc3sccc32)cn1 ZINC000397162293 583098364 /nfs/dbraw/zinc/09/83/64/583098364.db2.gz WDDKNUPCPIDMOH-LBPRGKRZSA-N 0 1 233.340 2.200 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2cc(C)ccc2C)C1 ZINC000757185704 585329647 /nfs/dbraw/zinc/32/96/47/585329647.db2.gz CAZPCLFWGFMMHE-ZIAGYGMSSA-N 0 1 247.338 2.423 10 0 BEAEMN Cc1ccc2[nH]nnc2c1Br ZINC000757119238 586424590 /nfs/dbraw/zinc/42/45/90/586424590.db2.gz LZNYAFJZUBDGSM-UHFFFAOYSA-N 0 1 212.050 2.029 10 0 BEAEMN CC1(C)CCC[C@@]2(C1)NC1(COC1)CCO2 ZINC000757153077 586429761 /nfs/dbraw/zinc/42/97/61/586429761.db2.gz WIVHREPIPDZYIA-CYBMUJFWSA-N 0 1 225.332 2.062 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2cccc(C)c2)C1 ZINC000757186263 586434747 /nfs/dbraw/zinc/43/47/47/586434747.db2.gz GALFQMKOWLYPAI-OLZOCXBDSA-N 0 1 233.311 2.115 10 0 BEAEMN CCc1ccc([C@H]2C[N@@H+](CC)C[C@@H]2C(=O)[O-])cc1 ZINC000757187497 586434785 /nfs/dbraw/zinc/43/47/85/586434785.db2.gz GRUGFSGWMKGAOU-KGLIPLIRSA-N 0 1 247.338 2.369 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2C)C1 ZINC000757188986 586435178 /nfs/dbraw/zinc/43/51/78/586435178.db2.gz IXEDRNZXUWECHQ-OLZOCXBDSA-N 0 1 233.311 2.115 10 0 BEAEMN CC[C@H]1CC[C@@H](C)N1c1cc(C)nc(N)n1 ZINC000124472979 590019807 /nfs/dbraw/zinc/01/98/07/590019807.db2.gz XLGYOCOBNYYNJR-ZJUUUORDSA-N 0 1 220.320 2.135 10 0 BEAEMN C[C@H](NC(=O)c1cnccc1N)C1CCCCC1 ZINC000127623562 590725643 /nfs/dbraw/zinc/72/56/43/590725643.db2.gz KVGBTLLNXCOBGA-JTQLQIEISA-N 0 1 247.342 2.362 10 0 BEAEMN OCc1nc(C2CCCC2)[nH]c1Br ZINC000213175229 591454330 /nfs/dbraw/zinc/45/43/30/591454330.db2.gz BSDMKZXRMNFXMD-UHFFFAOYSA-N 0 1 245.120 2.322 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CCSC(F)(F)F ZINC000123586338 634247809 /nfs/dbraw/zinc/24/78/09/634247809.db2.gz TXTPWSSKSWNSAC-ZCFIWIBFSA-N 0 1 245.266 2.034 10 0 BEAEMN CCCN[C@H](C)c1nc([C@H](OC)C2CC2)no1 ZINC000157228568 640640418 /nfs/dbraw/zinc/64/04/18/640640418.db2.gz NQNPJRXNJSBLRH-PSASIEDQSA-N 0 1 239.319 2.228 10 0 BEAEMN CONC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000062065184 641019587 /nfs/dbraw/zinc/01/95/87/641019587.db2.gz MNGVQBCITURMAH-NSHDSACASA-N 0 1 225.263 2.243 10 0 BEAEMN CCC[C@H](C)C[N@H+](CC(=O)[O-])CC(C)C ZINC000062742734 641084449 /nfs/dbraw/zinc/08/44/49/641084449.db2.gz NSYWTSHNVVYDMF-NSHDSACASA-N 0 1 215.337 2.465 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C/C=C/Cl)C1 ZINC000062877632 641106624 /nfs/dbraw/zinc/10/66/24/641106624.db2.gz YGQNGZIWDGFOSG-DUMNWFOQSA-N 0 1 231.723 2.316 10 0 BEAEMN CC[C@H]1OCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000234094948 643470286 /nfs/dbraw/zinc/47/02/86/643470286.db2.gz ZJTDVKVPTZFPTN-QWHCGFSZSA-N 0 1 249.310 2.050 10 0 BEAEMN O[C@H](CN1CCCCC1)c1cc(F)ccc1F ZINC000049830479 643472735 /nfs/dbraw/zinc/47/27/35/643472735.db2.gz FNQFHXCESNSBMH-CYBMUJFWSA-N 0 1 241.281 2.484 10 0 BEAEMN CO[C@H]1CCC[C@@H]1NCc1csc(C)n1 ZINC000049948853 643563892 /nfs/dbraw/zinc/56/38/92/643563892.db2.gz JXWAVORZWYBDLW-QWRGUYRKSA-N 0 1 226.345 2.109 10 0 BEAEMN Cc1occc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000320943983 643998439 /nfs/dbraw/zinc/99/84/39/643998439.db2.gz CWCWYIMTIOXDDD-GFCCVEGCSA-N 0 1 223.272 2.027 10 0 BEAEMN CC[C@@H](C)c1noc(-c2csc(CN)n2)n1 ZINC000085546482 644442653 /nfs/dbraw/zinc/44/26/53/644442653.db2.gz KLAZBCLQUWZJPD-ZCFIWIBFSA-N 0 1 238.316 2.165 10 0 BEAEMN CC(C)[C@H]([NH3+])c1ccc([O-])c(F)c1F ZINC000095685661 644763079 /nfs/dbraw/zinc/76/30/79/644763079.db2.gz VKMMJGFBHJBNSB-JTQLQIEISA-N 0 1 201.216 2.326 10 0 BEAEMN Nc1cccc([C@@H]2CCn3ccnc3N2)c1 ZINC000236386300 711493436 /nfs/dbraw/zinc/49/34/36/711493436.db2.gz XFDGMNJEUSSGIF-NSHDSACASA-N 0 1 214.272 2.022 10 0 BEAEMN CC(=O)[C@H]1CCCN(Cc2cc(C)cc(C)n2)C1 ZINC000723619396 711526794 /nfs/dbraw/zinc/52/67/94/711526794.db2.gz HUWOQNWNOPAHSK-AWEZNQCLSA-N 0 1 246.354 2.499 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000700467774 711994017 /nfs/dbraw/zinc/99/40/17/711994017.db2.gz YTGSHKVPTYXDBW-ADEWGFFLSA-N 0 1 249.358 2.405 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701464422 712023707 /nfs/dbraw/zinc/02/37/07/712023707.db2.gz RTMROSPCZJTJCB-GVXVVHGQSA-N 0 1 225.332 2.218 10 0 BEAEMN CC[N@@H+](C[C@@H](C)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC000707952702 712174222 /nfs/dbraw/zinc/17/42/22/712174222.db2.gz XMQUSJNOLMRGTL-NXEZZACHSA-N 0 1 215.337 2.464 10 0 BEAEMN CCC[C@H](C)N1CCc2sc(CN)nc2C1 ZINC000709754605 712217314 /nfs/dbraw/zinc/21/73/14/712217314.db2.gz KMNUBQMZVOKQIA-VIFPVBQESA-N 0 1 239.388 2.149 10 0 BEAEMN C[C@@H](NCc1ccnc(Cl)c1Cl)[C@H](C)O ZINC000379917750 712626751 /nfs/dbraw/zinc/62/67/51/712626751.db2.gz DUKRAAZYDRHBIA-RQJHMYQMSA-N 0 1 249.141 2.247 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCSC1 ZINC000718364692 712757082 /nfs/dbraw/zinc/75/70/82/712757082.db2.gz YZNZXQKICNXFPE-WDEREUQCSA-N 0 1 245.388 2.171 10 0 BEAEMN Cc1cc(CNC[C@]23CCC[C@H]2OCC3)no1 ZINC000720418965 712841249 /nfs/dbraw/zinc/84/12/49/712841249.db2.gz FOHSZQBCBOBSAH-CHWSQXEVSA-N 0 1 236.315 2.032 10 0 BEAEMN CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000693453599 954754091 /nfs/dbraw/zinc/75/40/91/954754091.db2.gz ZEBMYYWSSAECEF-GRYCIOLGSA-N 0 1 227.348 2.464 10 0 BEAEMN CN(Cc1ccnc(Cl)c1)C[C@H]1CCCO1 ZINC000051924519 959757628 /nfs/dbraw/zinc/75/76/28/959757628.db2.gz KTANDWNBQMPUMX-LLVKDONJSA-N 0 1 240.734 2.346 10 0 BEAEMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000211511718 1165822469 /nfs/dbraw/zinc/82/24/69/1165822469.db2.gz OQFDOFNQUGJCIV-DGCLKSJQSA-N 0 1 233.311 2.372 10 0 BEAEMN C[C@@H]1CC[C@H](C)N1c1cc(C(=O)[O-])cc[nH+]1 ZINC000706234578 977310615 /nfs/dbraw/zinc/31/06/15/977310615.db2.gz UDTWCWMMMQVVED-DTORHVGOSA-N 0 1 220.272 2.157 10 0 BEAEMN CC[C@@](C)([NH2+]Cc1nc(C)sc1C)C(=O)[O-] ZINC000707917409 977403820 /nfs/dbraw/zinc/40/38/20/977403820.db2.gz MJTFBZPLQWPHMU-LLVKDONJSA-N 0 1 242.344 2.103 10 0 BEAEMN C[N@@H+](CCC(=O)[O-])CC1(c2ccccc2)CC1 ZINC000702658274 954905169 /nfs/dbraw/zinc/90/51/69/954905169.db2.gz BCMZTJCSOKFBRT-UHFFFAOYSA-N 0 1 233.311 2.125 10 0 BEAEMN CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000710540440 955030035 /nfs/dbraw/zinc/03/00/35/955030035.db2.gz XWDYUNVRQKJVGG-GARJFASQSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1nccnc1[C@H](C)NCCOCC(C)C ZINC000219117129 961131558 /nfs/dbraw/zinc/13/15/58/961131558.db2.gz KJRBTKWQJOATSA-LBPRGKRZSA-N 0 1 237.347 2.108 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C/C=C\Cl)C1 ZINC000213894540 967223433 /nfs/dbraw/zinc/22/34/33/967223433.db2.gz YGQNGZIWDGFOSG-VLWUPBBWSA-N 0 1 231.723 2.316 10 0 BEAEMN CC(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000694537622 968944516 /nfs/dbraw/zinc/94/45/16/968944516.db2.gz GAGMFTXMUZRSNU-NEPJUHHUSA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1coc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000718084714 969099596 /nfs/dbraw/zinc/09/95/96/969099596.db2.gz BFUMEBKMMCXVLS-CMPLNLGQSA-N 0 1 237.299 2.131 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@H](CCF)C1 ZINC000689377171 976252973 /nfs/dbraw/zinc/25/29/73/976252973.db2.gz QROIQZOHWOCWHW-PFEDMVJOSA-N 0 1 229.295 2.089 10 0 BEAEMN CC1(C)C[N@@H+](CC2(CC(=O)[O-])CC2)C1(C)C ZINC000690257028 976283058 /nfs/dbraw/zinc/28/30/58/976283058.db2.gz FTIJWPUTIJPJNR-UHFFFAOYSA-N 0 1 225.332 2.362 10 0 BEAEMN O=C([O-])[C@@H]1CCCCC[N@H+]1CC1CC=CC1 ZINC000692042335 976397081 /nfs/dbraw/zinc/39/70/81/976397081.db2.gz BOFCDEGCJSWHBN-LBPRGKRZSA-N 0 1 223.316 2.282 10 0 BEAEMN C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693043782 976578666 /nfs/dbraw/zinc/57/86/66/976578666.db2.gz AKBRTOQRKDLNEK-MLGHIDQZSA-N 0 1 237.343 2.218 10 0 BEAEMN CC[N@@H+](CC[C@@H]1CCCCO1)C(C)(C)C(=O)[O-] ZINC000699665088 976927303 /nfs/dbraw/zinc/92/73/03/976927303.db2.gz WNAYWLQSQJDPNX-NSHDSACASA-N 0 1 243.347 2.131 10 0 BEAEMN Cc1[nH+]ccn1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701825165 977045712 /nfs/dbraw/zinc/04/57/12/977045712.db2.gz CZZTXISCKGBUQL-UHFFFAOYSA-N 0 1 230.267 2.246 10 0 BEAEMN O=C([O-])c1sccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000701912822 977054303 /nfs/dbraw/zinc/05/43/03/977054303.db2.gz BSVWMQJFMJOUBQ-SECBINFHSA-N 0 1 243.303 2.380 10 0 BEAEMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000701912822 977054308 /nfs/dbraw/zinc/05/43/08/977054308.db2.gz BSVWMQJFMJOUBQ-SECBINFHSA-N 0 1 243.303 2.380 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@@H+]1CCCC[C@H](C)C1 ZINC000703658699 977173958 /nfs/dbraw/zinc/17/39/58/977173958.db2.gz LPXYUKGOQLKUPU-VUBLIPMDSA-N 0 1 211.305 2.139 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@@H+]1CCCC[C@@H](C)C1 ZINC000703658698 977174454 /nfs/dbraw/zinc/17/44/54/977174454.db2.gz LPXYUKGOQLKUPU-UEUZTHOGSA-N 0 1 211.305 2.139 10 0 BEAEMN O=C([O-])c1ccoc1Cn1cc[nH+]c1C1CC1 ZINC000704186890 977222192 /nfs/dbraw/zinc/22/21/92/977222192.db2.gz JRVYFKDKHCPAEL-UHFFFAOYSA-N 0 1 232.239 2.100 10 0 BEAEMN Cc1oc(Cn2cc[nH+]c2C2CC2)cc1C(=O)[O-] ZINC000704187848 977222328 /nfs/dbraw/zinc/22/23/28/977222328.db2.gz MYSHZRUFWLXYAB-UHFFFAOYSA-N 0 1 246.266 2.408 10 0 BEAEMN C/C(=C\C[N@H+]1C[C@@H]2CCCC[C@@]21C)C(=O)[O-] ZINC000706033453 977305846 /nfs/dbraw/zinc/30/58/46/977305846.db2.gz NVVPGPOGVFRUCX-JPQNCSDPSA-N 0 1 223.316 2.282 10 0 BEAEMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000706323482 977313127 /nfs/dbraw/zinc/31/31/27/977313127.db2.gz CLFMPFDAGQQYOI-BDAKNGLRSA-N 0 1 235.274 2.217 10 0 BEAEMN O=C([O-])c1coc(C[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000706802534 977363056 /nfs/dbraw/zinc/36/30/56/977363056.db2.gz DIRVEISQHQJPIK-BXKDBHETSA-N 0 1 235.283 2.352 10 0 BEAEMN Cc1[nH+]c(N2C[C@@H]3CCCC[C@@H]32)ccc1C(=O)[O-] ZINC000706905518 977367803 /nfs/dbraw/zinc/36/78/03/977367803.db2.gz GEGXCZHEBYHXMP-JQWIXIFHSA-N 0 1 246.310 2.467 10 0 BEAEMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000707021642 977373529 /nfs/dbraw/zinc/37/35/29/977373529.db2.gz XHPSPUVEZISBAO-PELKAZGASA-N 0 1 235.258 2.118 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000708821161 977444473 /nfs/dbraw/zinc/44/44/73/977444473.db2.gz DEHYNMNPXUDTLA-RYUDHWBXSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@]1(C)C(=O)[O-] ZINC000710163890 977488333 /nfs/dbraw/zinc/48/83/33/977488333.db2.gz KCYSPFSYTTWXHQ-GWCFXTLKSA-N 0 1 225.332 2.219 10 0 BEAEMN O=C([O-])c1csc(C[NH+]2CC(C(F)F)C2)c1 ZINC000711419187 977545943 /nfs/dbraw/zinc/54/59/43/977545943.db2.gz BOWQBPXQYLDTCA-UHFFFAOYSA-N 0 1 247.266 2.143 10 0 BEAEMN C[N@@H+](CCCC(C)(F)F)C(C)(C)C(=O)[O-] ZINC000718617158 977974545 /nfs/dbraw/zinc/97/45/45/977974545.db2.gz SJQYXFMCDDQJMS-UHFFFAOYSA-N 0 1 223.263 2.217 10 0 BEAEMN C[C@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721583592 978119617 /nfs/dbraw/zinc/11/96/17/978119617.db2.gz GEKXDHUMMPEVFJ-UWVGGRQHSA-N 0 1 234.299 2.010 10 0 BEAEMN CC[C@@H]1C[C@H]1C[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000723072707 978172334 /nfs/dbraw/zinc/17/23/34/978172334.db2.gz VANZKISWJRJKOR-ZJUUUORDSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1ccccc1[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000044117179 985241061 /nfs/dbraw/zinc/24/10/61/985241061.db2.gz AMXSWCZPXBVVIO-VNHYZAJKSA-N 0 1 249.354 2.138 10 0 BEAEMN C[C@@H]1C[C@]2(CC(C)(C)C1)C(=O)CCN2C ZINC000685954566 538899372 /nfs/dbraw/zinc/89/93/72/538899372.db2.gz OHOAXCVQODNSEP-GWCFXTLKSA-N 0 1 209.333 2.476 10 0 BEAEMN C[C@H](COCC(F)(F)CN)C1CCC1 ZINC000685955389 538901377 /nfs/dbraw/zinc/90/13/77/538901377.db2.gz DAJPTDDOHAHNOC-MRVPVSSYSA-N 0 1 207.264 2.033 10 0 BEAEMN CC1CCC(OCC(F)(F)CN)CC1 ZINC000685956487 538902708 /nfs/dbraw/zinc/90/27/08/538902708.db2.gz VGKBHMVBVCTDTD-UHFFFAOYSA-N 0 1 207.264 2.176 10 0 BEAEMN C=C(OCC)c1sc(CNC)nc1C ZINC000685965122 538911636 /nfs/dbraw/zinc/91/16/36/538911636.db2.gz PJOLAVBTICJLLC-UHFFFAOYSA-N 0 1 212.318 2.178 10 0 BEAEMN COC(=O)C[C@H]1NCCc2cc(Cl)ccc21 ZINC000258151822 349493245 /nfs/dbraw/zinc/49/32/45/349493245.db2.gz FCDDDMJUWQDWNR-LLVKDONJSA-N 0 1 239.702 2.090 10 0 BEAEMN Cc1ccc(-c2nc([C@H](C)N)no2)cc1 ZINC000041052260 178336780 /nfs/dbraw/zinc/33/67/80/178336780.db2.gz RQBLVARXIFPGKQ-QMMMGPOBSA-N 0 1 203.245 2.065 10 0 BEAEMN Cc1c(CN)noc1-c1ccc(C)cc1 ZINC000082639094 178345159 /nfs/dbraw/zinc/34/51/59/178345159.db2.gz JCDHKSYTSHHJAO-UHFFFAOYSA-N 0 1 202.257 2.417 10 0 BEAEMN CCC(CC)[N@@H+](CCOC)C/C(C)=C/C(=O)[O-] ZINC000104273679 168373471 /nfs/dbraw/zinc/37/34/71/168373471.db2.gz PUZJIQLFTMVCMK-PKNBQFBNSA-N 0 1 243.347 2.154 10 0 BEAEMN N[C@@H](Cc1sccc1Cl)c1cnsn1 ZINC000306650504 361849382 /nfs/dbraw/zinc/84/93/82/361849382.db2.gz FONPLVHAYGSWFH-LURJTMIESA-N 0 1 245.760 2.496 10 0 BEAEMN CCc1c(O)c2cc(C)ccc2[nH]c1=O ZINC000003944996 342739708 /nfs/dbraw/zinc/73/97/08/342739708.db2.gz LMMXBSFTGLFRRD-UHFFFAOYSA-N 0 1 203.241 2.105 10 0 BEAEMN O=C1NC(=O)/C(=C\c2ccc3ccccc3c2)N1 ZINC000147350704 342774426 /nfs/dbraw/zinc/77/44/26/342774426.db2.gz HSXQWEKSYKYNFL-XYOKQWHBSA-N 0 1 238.246 2.020 10 0 BEAEMN Clc1ccc(NCc2nnc[nH]2)cc1 ZINC000042040762 361930832 /nfs/dbraw/zinc/93/08/32/361930832.db2.gz CBKYLEOAVKQCMX-UHFFFAOYSA-N 0 1 208.652 2.070 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1ccc(Cl)o1 ZINC000134534091 342862771 /nfs/dbraw/zinc/86/27/71/342862771.db2.gz RZRDDCIVXKCNKJ-VXNVDRBHSA-N 0 1 215.680 2.200 10 0 BEAEMN CN1CCC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000164998561 342864543 /nfs/dbraw/zinc/86/45/43/342864543.db2.gz AEKYTHRSURIBHK-SSDOTTSWSA-N 0 1 231.752 2.303 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226593140 342898670 /nfs/dbraw/zinc/89/86/70/342898670.db2.gz QDPWJZWIAVRMET-AXFHLTTASA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H]1CN(c2ccccc2C=O)C[C@H](C)N1C ZINC000116974418 342940321 /nfs/dbraw/zinc/94/03/21/342940321.db2.gz CUDTXLRAKIIRLG-TXEJJXNPSA-N 0 1 232.327 2.028 10 0 BEAEMN COc1ccc([C@H]2CNCC2(F)F)cc1 ZINC000584880016 343080259 /nfs/dbraw/zinc/08/02/59/343080259.db2.gz XJNQBKHEAAYCMX-SNVBAGLBSA-N 0 1 213.227 2.017 10 0 BEAEMN Cc1nc(N)nc(N)c1CCCc1ccccc1 ZINC000013283435 343076290 /nfs/dbraw/zinc/07/62/90/343076290.db2.gz ZOLRHOYGCWXBKL-UHFFFAOYSA-N 0 1 242.326 2.125 10 0 BEAEMN CC(C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062750815 346928382 /nfs/dbraw/zinc/92/83/82/346928382.db2.gz XNYDSZGEYMVJQM-WDEREUQCSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062750817 346928212 /nfs/dbraw/zinc/92/82/12/346928212.db2.gz FKFVYJSMYBWUDP-OUAUKWLOSA-N 0 1 213.321 2.216 10 0 BEAEMN Cc1nnc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)[nH]1 ZINC000163784324 136288527 /nfs/dbraw/zinc/28/85/27/136288527.db2.gz ZWMDRJOHYVEQIQ-MNOVXSKESA-N 0 1 248.330 2.268 10 0 BEAEMN O=C1N[C@H](c2ccccc2)C1(Cl)Cl ZINC000238515561 343257833 /nfs/dbraw/zinc/25/78/33/343257833.db2.gz QBIDRDJWGMRYRU-SSDOTTSWSA-N 0 1 216.067 2.031 10 0 BEAEMN CCCC1OC(c2ccccc2)=NC1=O ZINC000139352849 343308965 /nfs/dbraw/zinc/30/89/65/343308965.db2.gz GBPGUHKFEYNKMQ-JTQLQIEISA-N 0 1 203.241 2.159 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccccc1 ZINC000037374424 343343872 /nfs/dbraw/zinc/34/38/72/343343872.db2.gz IXOOETMRTKJMMR-LBPRGKRZSA-N 0 1 221.300 2.372 10 0 BEAEMN C[C@@H](C[N@H+]1CCN(C)CC1(C)C)C(F)(F)F ZINC000335643482 136304104 /nfs/dbraw/zinc/30/41/04/136304104.db2.gz FZYLWDMXOKAXSB-VIFPVBQESA-N 0 1 238.297 2.211 10 0 BEAEMN c1nc2c(ncnc2NCCC2CCCC2)[nH]1 ZINC000037501189 343347742 /nfs/dbraw/zinc/34/77/42/343347742.db2.gz RQZXDQQGWAYULR-UHFFFAOYSA-N 0 1 231.303 2.345 10 0 BEAEMN Fc1cccc2c1[C@@H](N[C@@H]1CCSC1)CO2 ZINC000374685642 136356779 /nfs/dbraw/zinc/35/67/79/136356779.db2.gz ZFGPJFQIAVANGF-SCZZXKLOSA-N 0 1 239.315 2.354 10 0 BEAEMN Cc1ccc([C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000044116828 343491703 /nfs/dbraw/zinc/49/17/03/343491703.db2.gz JHMZZTIILPJORG-UMVBOHGHSA-N 0 1 249.354 2.138 10 0 BEAEMN Nc1nc2c(ccc(O)c2Cl)s1 ZINC000045236008 343526102 /nfs/dbraw/zinc/52/61/02/343526102.db2.gz CYKRADOVGKEYPN-UHFFFAOYSA-N 0 1 200.650 2.238 10 0 BEAEMN CCCCN(C)C(=O)c1[nH]nc2ccc(N)cc21 ZINC000048277754 343575423 /nfs/dbraw/zinc/57/54/23/343575423.db2.gz YDXIFMXUYVODIN-UHFFFAOYSA-N 0 1 246.314 2.017 10 0 BEAEMN Cc1nccc([C@H]2NCCc3ccsc32)n1 ZINC000712501031 537787451 /nfs/dbraw/zinc/78/74/51/537787451.db2.gz DFMYXHPFTHFZAK-LLVKDONJSA-N 0 1 231.324 2.082 10 0 BEAEMN c1cc([C@@H]2NCCc3ccsc32)sn1 ZINC000712513988 537787545 /nfs/dbraw/zinc/78/75/45/537787545.db2.gz BKYOCXIMTZCRQZ-VIFPVBQESA-N 0 1 222.338 2.440 10 0 BEAEMN Cc1nn(C)cc1[C@H]1NCCc2ccsc21 ZINC000712536722 537788808 /nfs/dbraw/zinc/78/88/08/537788808.db2.gz IBHANMQBJXJERT-LLVKDONJSA-N 0 1 233.340 2.025 10 0 BEAEMN Cc1ccc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+]2C)cc1 ZINC000212764882 343791790 /nfs/dbraw/zinc/79/17/90/343791790.db2.gz PMZAEKUGYPJACC-NEPJUHHUSA-N 0 1 219.284 2.072 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000409426642 343798541 /nfs/dbraw/zinc/79/85/41/343798541.db2.gz IJXCFITVECUFKC-UNXYVOJBSA-N 0 1 243.322 2.311 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000409428377 343803239 /nfs/dbraw/zinc/80/32/39/343803239.db2.gz MWLSJUIBHXKFMJ-LLVKDONJSA-N 0 1 231.295 2.249 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409433138 343826439 /nfs/dbraw/zinc/82/64/39/343826439.db2.gz XOKWTEVRYDTKAW-KXUCPTDWSA-N 0 1 247.285 2.217 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000409429844 343806631 /nfs/dbraw/zinc/80/66/31/343806631.db2.gz PLFXAGKMSXKDLM-KYHHOPLUSA-N 0 1 247.285 2.217 10 0 BEAEMN CC(C)c1n[nH]c(C2CCC2)c1CCO ZINC000409441041 343855128 /nfs/dbraw/zinc/85/51/28/343855128.db2.gz PLFXQKUCKSBKCG-UHFFFAOYSA-N 0 1 208.305 2.335 10 0 BEAEMN CC(C)Cc1n[nH]c(C2CC2)c1CCO ZINC000409442139 343857483 /nfs/dbraw/zinc/85/74/83/343857483.db2.gz WXPBEUXLDXTJAP-UHFFFAOYSA-N 0 1 208.305 2.020 10 0 BEAEMN N=C(NO)[C@H](Cc1ccccc1)n1cccc1 ZINC000409442457 343858347 /nfs/dbraw/zinc/85/83/47/343858347.db2.gz VJEVCDBNUXBGJG-LBPRGKRZSA-N 0 1 229.283 2.228 10 0 BEAEMN CC(C)Cc1n[nH]c(C(C)C)c1CCC(N)=O ZINC000409442419 343858688 /nfs/dbraw/zinc/85/86/88/343858688.db2.gz ZSKAZGQAQBZTCY-UHFFFAOYSA-N 0 1 237.347 2.150 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@H+]1CCCCC[C@H]1C ZINC000069945231 343944384 /nfs/dbraw/zinc/94/43/84/343944384.db2.gz IBQROBJUBKYELI-MNOVXSKESA-N 0 1 213.321 2.360 10 0 BEAEMN COC[C@H](C)NCc1ccc(Cl)cc1C#N ZINC000393793862 343928978 /nfs/dbraw/zinc/92/89/78/343928978.db2.gz NPWRHBVNOOEKSS-VIFPVBQESA-N 0 1 238.718 2.336 10 0 BEAEMN CSC[C@H](C)Nc1ccc(N)c(C)n1 ZINC000127241609 344064714 /nfs/dbraw/zinc/06/47/14/344064714.db2.gz WZDKRWQJMRSTDI-ZETCQYMHSA-N 0 1 211.334 2.136 10 0 BEAEMN Cc1nnc(CN2CCC[C@H]3CCCC[C@H]32)n1C ZINC000249774311 362387836 /nfs/dbraw/zinc/38/78/36/362387836.db2.gz VQQIBAYQQVUOPY-CHWSQXEVSA-N 0 1 248.374 2.278 10 0 BEAEMN CC(C)N1C[C@H](c2nc[nH]n2)Cc2ccccc21 ZINC000616591699 344406076 /nfs/dbraw/zinc/40/60/76/344406076.db2.gz DJQFUXDBZAOVIX-GFCCVEGCSA-N 0 1 242.326 2.359 10 0 BEAEMN CCOC(=O)c1cc(C#N)c(O)cc1CC ZINC000396140219 344615216 /nfs/dbraw/zinc/61/52/16/344615216.db2.gz AIGGMJDPYGVZIN-UHFFFAOYSA-N 0 1 219.240 2.003 10 0 BEAEMN CCOC(=O)c1c(Cl)cc(O)cc1C#N ZINC000396140841 344615664 /nfs/dbraw/zinc/61/56/64/344615664.db2.gz BYXJMRUGEXJPLS-UHFFFAOYSA-N 0 1 225.631 2.094 10 0 BEAEMN O=C1CSC(NCc2ccccc2)=N1 ZINC000044176314 344674996 /nfs/dbraw/zinc/67/49/96/344674996.db2.gz CDHIKFSJDJBGGL-UHFFFAOYSA-N 0 1 206.270 2.461 10 0 BEAEMN Cc1[n-]n(C)c(=O)c1-c1cccc(C[NH+](C)C)c1 ZINC000675053483 537866001 /nfs/dbraw/zinc/86/60/01/537866001.db2.gz IAKDSXJICQBRPV-UHFFFAOYSA-N 0 1 245.326 2.163 10 0 BEAEMN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1C1CCCC1 ZINC000235335448 344887358 /nfs/dbraw/zinc/88/73/58/344887358.db2.gz PYOIGSSHCVOJJY-ZJUUUORDSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H]1C[C@@H](C(F)(F)F)n2ccnc2N1 ZINC000235352323 344893181 /nfs/dbraw/zinc/89/31/81/344893181.db2.gz GQXRHBQJLRNERR-RITPCOANSA-N 0 1 205.183 2.191 10 0 BEAEMN Cc1cc(F)cc(C(=O)C2(N)CCC2)c1 ZINC000226778997 345074872 /nfs/dbraw/zinc/07/48/72/345074872.db2.gz ZCCVWULRFMXJRY-UHFFFAOYSA-N 0 1 207.248 2.198 10 0 BEAEMN N[C@H](CF)c1cc(O)ccc1Br ZINC000238684401 345109471 /nfs/dbraw/zinc/10/94/71/345109471.db2.gz GDRUDTGQQFSTEH-MRVPVSSYSA-N 0 1 234.068 2.124 10 0 BEAEMN COC(=O)[C@@H]1CCC[C@](C)(c2ccccc2)C1=O ZINC000167204402 345144581 /nfs/dbraw/zinc/14/45/81/345144581.db2.gz WDZBBLDSAOBYTD-IUODEOHRSA-N 0 1 246.306 2.487 10 0 BEAEMN COC(=O)[C@@H]1CCC[C@@](C)(c2ccccc2)C1=O ZINC000167204612 345144885 /nfs/dbraw/zinc/14/48/85/345144885.db2.gz WDZBBLDSAOBYTD-DOMZBBRYSA-N 0 1 246.306 2.487 10 0 BEAEMN C[C@H](N)c1noc(-c2ccc(Cl)o2)n1 ZINC000225440953 345151935 /nfs/dbraw/zinc/15/19/35/345151935.db2.gz PNHYFTZJQYHNSE-BYPYZUCNSA-N 0 1 213.624 2.003 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](C(F)F)C[C@@H]2C ZINC000720941606 537892131 /nfs/dbraw/zinc/89/21/31/537892131.db2.gz RVSCVDFGAHXXSL-NKWVEPMBSA-N 0 1 201.220 2.202 10 0 BEAEMN Cc1cn2c(n1)N[C@H](C(F)F)C[C@@H]2C ZINC000720941601 537892834 /nfs/dbraw/zinc/89/28/34/537892834.db2.gz RVSCVDFGAHXXSL-BQBZGAKWSA-N 0 1 201.220 2.202 10 0 BEAEMN F[C@@H](c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000408499136 345387002 /nfs/dbraw/zinc/38/70/02/345387002.db2.gz MEHYHSXVMJMUIV-SSDOTTSWSA-N 0 1 246.167 2.277 10 0 BEAEMN CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1O ZINC000253290315 345641375 /nfs/dbraw/zinc/64/13/75/345641375.db2.gz PQRVAWUIQXVUHR-GXTWGEPZSA-N 0 1 237.318 2.419 10 0 BEAEMN COc1ccc(-c2cc(O)cc(=O)o2)cc1 ZINC000168117471 345811171 /nfs/dbraw/zinc/81/11/71/345811171.db2.gz LVUGDXUFOKPOOK-UHFFFAOYSA-N 0 1 218.208 2.021 10 0 BEAEMN Cn1c(N)nc2cc(F)c(Br)cc21 ZINC000159102590 347088193 /nfs/dbraw/zinc/08/81/93/347088193.db2.gz JTGNDYJVJYZBSH-UHFFFAOYSA-N 0 1 244.067 2.057 10 0 BEAEMN O=C([O-])c1c[nH+]cn1[C@H]1CCc2ccccc21 ZINC000218438247 345852148 /nfs/dbraw/zinc/85/21/48/345852148.db2.gz MGXSUVMYCSZCPI-NSHDSACASA-N 0 1 228.251 2.117 10 0 BEAEMN CN1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC000034595715 345831552 /nfs/dbraw/zinc/83/15/52/345831552.db2.gz FMSIBCNEDXCMKA-UHFFFAOYSA-N 0 1 239.265 2.489 10 0 BEAEMN Cc1csc(-c2n[nH]c(=O)o2)c1Cl ZINC000235958890 346175491 /nfs/dbraw/zinc/17/54/91/346175491.db2.gz CEDXQKXUFFTOSF-UHFFFAOYSA-N 0 1 216.649 2.053 10 0 BEAEMN NCc1coc(-c2ccoc2Br)n1 ZINC000236262222 346218106 /nfs/dbraw/zinc/21/81/06/346218106.db2.gz CYXFTFYECVNXKE-UHFFFAOYSA-N 0 1 243.060 2.156 10 0 BEAEMN Cc1cccc(CNCc2cncnc2)c1 ZINC000054767094 179096015 /nfs/dbraw/zinc/09/60/15/179096015.db2.gz DWJWTFIYOOLNIL-UHFFFAOYSA-N 0 1 213.284 2.075 10 0 BEAEMN Cc1cc(F)cc(-c2nc(=S)o[nH]2)c1 ZINC000162757443 346538287 /nfs/dbraw/zinc/53/82/87/346538287.db2.gz WEPPOFYWCNFIKM-UHFFFAOYSA-N 0 1 210.233 2.473 10 0 BEAEMN Cc1cccc(N)c1NC(=O)CN1CCC[C@@H]1C ZINC000037909985 179120659 /nfs/dbraw/zinc/12/06/59/179120659.db2.gz BHACPHODLKZICS-NSHDSACASA-N 0 1 247.342 2.000 10 0 BEAEMN Cc1cccc([C@H]2NCCc3cc(O)ccc32)n1 ZINC000033390297 179204926 /nfs/dbraw/zinc/20/49/26/179204926.db2.gz SKSZOMKGBNRXFL-HNNXBMFYSA-N 0 1 240.306 2.331 10 0 BEAEMN CC(C)[N@@H+](C)[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250532792 362809047 /nfs/dbraw/zinc/80/90/47/362809047.db2.gz XNYDSZGEYMVJQM-MNOVXSKESA-N 0 1 213.321 2.360 10 0 BEAEMN Oc1cc(CC2CC2)cc2nc(C(F)F)nn21 ZINC000725243084 537990872 /nfs/dbraw/zinc/99/08/72/537990872.db2.gz JKGIBOCSLKRCMA-UHFFFAOYSA-N 0 1 239.225 2.325 10 0 BEAEMN Cc1csc(CNC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000054243371 1172097387 /nfs/dbraw/zinc/09/73/87/1172097387.db2.gz OUKJREHJVUOVCO-NSHDSACASA-N 0 1 239.388 2.025 10 0 BEAEMN CCc1nc(CNCCOC)sc1CC ZINC000669382242 538000568 /nfs/dbraw/zinc/00/05/68/538000568.db2.gz JOMCNUQZZWATHA-UHFFFAOYSA-N 0 1 228.361 2.004 10 0 BEAEMN C[C@H](C1CCCC1)[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000251513637 362883734 /nfs/dbraw/zinc/88/37/34/362883734.db2.gz IRLNKZUXTSEVPF-KOLCDFICSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H]([N@H+]1CCC[C@]1(C)C(=O)[O-])C1(C)CC1 ZINC000251507050 362883786 /nfs/dbraw/zinc/88/37/86/362883786.db2.gz IDDCFQUBSJCLIF-JOYOIKCWSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1ccsc1-c1nc([C@@H](C)N)no1 ZINC000041052319 179534229 /nfs/dbraw/zinc/53/42/29/179534229.db2.gz KVSYALQIVZXAMU-ZCFIWIBFSA-N 0 1 209.274 2.126 10 0 BEAEMN CC[C@H](N)c1nc(C)cc(C(F)F)n1 ZINC000616577157 349107592 /nfs/dbraw/zinc/10/75/92/349107592.db2.gz IYLXDNOATGMHFI-LURJTMIESA-N 0 1 201.220 2.132 10 0 BEAEMN C[C@@H](C(=O)Nc1cccnc1CN)C(C)(C)C ZINC000616572828 349063892 /nfs/dbraw/zinc/06/38/92/349063892.db2.gz PHVYYTNEPIQRIG-VIFPVBQESA-N 0 1 235.331 2.161 10 0 BEAEMN Cc1cc(C(F)F)nc([C@@H](N)C(C)C)n1 ZINC000616578847 349127164 /nfs/dbraw/zinc/12/71/64/349127164.db2.gz QRZYDOGPLJHQPJ-QMMMGPOBSA-N 0 1 215.247 2.378 10 0 BEAEMN O=C([O-])[C@@H]1CC[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C1 ZINC000725254245 538044163 /nfs/dbraw/zinc/04/41/63/538044163.db2.gz YPYWCWPJUGJLMB-RDBSUJKOSA-N 0 1 245.322 2.339 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@H]2C[C@H](C(=O)[O-])CC[N@H+]2C1 ZINC000725254184 538043663 /nfs/dbraw/zinc/04/36/63/538043663.db2.gz RGQCBUKICDKOIP-GMTAPVOTSA-N 0 1 225.332 2.218 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])CC[N@H+]2C1 ZINC000725254183 538044018 /nfs/dbraw/zinc/04/40/18/538044018.db2.gz RGQCBUKICDKOIP-AXFHLTTASA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1nc([C@@H](N)[C@H](C)c2ccccc2)no1 ZINC000041046480 180040510 /nfs/dbraw/zinc/04/05/10/180040510.db2.gz IKCCSWLAGTYITH-KCJUWKMLSA-N 0 1 217.272 2.182 10 0 BEAEMN Cc1ncc(CN2CCC([C@H](C)O)CC2)s1 ZINC000111288687 180144264 /nfs/dbraw/zinc/14/42/64/180144264.db2.gz HDLDDENFXHCEOU-VIFPVBQESA-N 0 1 240.372 2.044 10 0 BEAEMN Cc1nc[nH]c1CN[C@@H]1CCOc2ccccc21 ZINC000054795671 180122480 /nfs/dbraw/zinc/12/24/80/180122480.db2.gz XHXVREDYLHXSOF-GFCCVEGCSA-N 0 1 243.310 2.332 10 0 BEAEMN Cc1ncc2cc(Cl)nc(Cl)n12 ZINC000039629092 180177261 /nfs/dbraw/zinc/17/72/61/180177261.db2.gz LKIMQIMPFVMPKG-UHFFFAOYSA-N 0 1 202.044 2.345 10 0 BEAEMN Cc1[nH+]ccn1-c1ccc(C(=O)[O-])cc1F ZINC000020080250 180229148 /nfs/dbraw/zinc/22/91/48/180229148.db2.gz MVUQPLOBZMLLEC-UHFFFAOYSA-N 0 1 220.203 2.018 10 0 BEAEMN C[C@@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)[C@H]1C ZINC000252211719 538086037 /nfs/dbraw/zinc/08/60/37/538086037.db2.gz WMXFNLJFXHRYJR-ZJUUUORDSA-N 0 1 234.299 2.405 10 0 BEAEMN Cc1[nH+]ccn1[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062757474 180271265 /nfs/dbraw/zinc/27/12/65/180271265.db2.gz SWLTVLIMJJTEJN-WDEREUQCSA-N 0 1 222.288 2.398 10 0 BEAEMN C[C@H]1CC[N@H+]1[C@@H](C(=O)[O-])C1CCCCC1 ZINC000226286187 350413488 /nfs/dbraw/zinc/41/34/88/350413488.db2.gz PBOWTWVZENQJKH-GXSJLCMTSA-N 0 1 211.305 2.114 10 0 BEAEMN CCC(F)(F)c1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266375 538096459 /nfs/dbraw/zinc/09/64/59/538096459.db2.gz OUXFRJLTYLHTCA-UHFFFAOYSA-N 0 1 247.245 2.262 10 0 BEAEMN CN1CCOC[C@@H](c2ccccc2Cl)C1 ZINC000616597851 350653129 /nfs/dbraw/zinc/65/31/29/350653129.db2.gz MGWYTXZOGSFDHE-JTQLQIEISA-N 0 1 225.719 2.386 10 0 BEAEMN CC(C)(C)N1CCCOC[C@H]1c1cnco1 ZINC000616598356 350660465 /nfs/dbraw/zinc/66/04/65/350660465.db2.gz XDXVSWJSNPNVNU-JTQLQIEISA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)N1CCOCC[C@H]1c1ccncn1 ZINC000616599280 350741191 /nfs/dbraw/zinc/74/11/91/350741191.db2.gz YLYGYDXYTWSOKD-LBPRGKRZSA-N 0 1 235.331 2.039 10 0 BEAEMN CC[N@H+]1CCCOC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616599363 350743008 /nfs/dbraw/zinc/74/30/08/350743008.db2.gz JXLOQYXKCYUWRF-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN c1nnoc1[C@@H]1CCCN1Cc1ccccc1 ZINC000616606376 350797404 /nfs/dbraw/zinc/79/74/04/350797404.db2.gz BTXXDJKGLOUWAC-LBPRGKRZSA-N 0 1 229.283 2.407 10 0 BEAEMN CC1(C)CC[C@@H]1[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000306733219 350903185 /nfs/dbraw/zinc/90/31/85/350903185.db2.gz SRMGQRXFWSSQCG-UWVGGRQHSA-N 0 1 211.305 2.114 10 0 BEAEMN CCSCCNCc1csc(C)n1 ZINC000128900612 350886295 /nfs/dbraw/zinc/88/62/95/350886295.db2.gz MSOLOTCOVHGGDA-UHFFFAOYSA-N 0 1 216.375 2.294 10 0 BEAEMN C[C@@H](c1cccs1)[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000003746963 350887810 /nfs/dbraw/zinc/88/78/10/350887810.db2.gz YRJHKTBANNZTHG-IUCAKERBSA-N 0 1 225.313 2.358 10 0 BEAEMN C[C@@H](N)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000159734078 350989621 /nfs/dbraw/zinc/98/96/21/350989621.db2.gz IJXQZKCAPFXHPJ-ZCFIWIBFSA-N 0 1 217.190 2.235 10 0 BEAEMN COC(=O)Cc1cc(O)c(Cl)c(Cl)c1 ZINC000306793155 351042220 /nfs/dbraw/zinc/04/22/20/351042220.db2.gz ARGQHQUVFRUNLF-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN C[C@@H](N)C(=O)Cc1c(Cl)cccc1Cl ZINC000167953558 351047033 /nfs/dbraw/zinc/04/70/33/351047033.db2.gz BQUAVXOCNZNQKX-ZCFIWIBFSA-N 0 1 232.110 2.452 10 0 BEAEMN CC(C)N1CCOC[C@H]1c1ccc(CCO)cc1 ZINC000616641147 351147232 /nfs/dbraw/zinc/14/72/32/351147232.db2.gz BJCWNLPIBIVTHS-HNNXBMFYSA-N 0 1 249.354 2.003 10 0 BEAEMN CC(C)(C)N1CCCOC[C@@H]1c1cnoc1 ZINC000616644811 351164971 /nfs/dbraw/zinc/16/49/71/351164971.db2.gz FGFBROHZAFRHPQ-LLVKDONJSA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)N1CCO[C@H](c2ccccc2N)C1 ZINC000616645501 351167595 /nfs/dbraw/zinc/16/75/95/351167595.db2.gz CWDDWJXMOHOGTN-ZDUSSCGKSA-N 0 1 220.316 2.051 10 0 BEAEMN CN1CCCO[C@@H](c2cccc(F)c2)C1 ZINC000616651587 351182811 /nfs/dbraw/zinc/18/28/11/351182811.db2.gz HFFMYKLVHPSKCV-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN COc1ccccc1[C@H]1CN(C)CCCO1 ZINC000616653211 351187760 /nfs/dbraw/zinc/18/77/60/351187760.db2.gz WGSLRAQYZYXMRZ-CYBMUJFWSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)N1CCOC[C@@H]1c1ccccc1CCO ZINC000616638525 351139947 /nfs/dbraw/zinc/13/99/47/351139947.db2.gz WMNPVPZRKZHKLC-OAHLLOKOSA-N 0 1 249.354 2.003 10 0 BEAEMN CC(C)N1C[C@H](c2c[nH]nn2)Cc2ccccc21 ZINC000616673703 351237446 /nfs/dbraw/zinc/23/74/46/351237446.db2.gz WWCCWBORZQLBAP-GFCCVEGCSA-N 0 1 242.326 2.359 10 0 BEAEMN CCN1CC[C@H](c2cn[nH]n2)c2ccccc21 ZINC000616675119 351242202 /nfs/dbraw/zinc/24/22/02/351242202.db2.gz NMLHZVNJXRGJFX-JTQLQIEISA-N 0 1 228.299 2.167 10 0 BEAEMN CC[N@H+]1CCc2ccccc2[C@@H]1c1ccnnc1 ZINC000616678439 351246005 /nfs/dbraw/zinc/24/60/05/351246005.db2.gz IEKCHJMWTVEXOK-HNNXBMFYSA-N 0 1 239.322 2.444 10 0 BEAEMN CCN1CCc2ccccc2[C@@H]1c1ccnnc1 ZINC000616678439 351246008 /nfs/dbraw/zinc/24/60/08/351246008.db2.gz IEKCHJMWTVEXOK-HNNXBMFYSA-N 0 1 239.322 2.444 10 0 BEAEMN CC[N@H+]1CCO[C@H](c2ccccc2C(=O)[O-])CC1 ZINC000616686398 351257071 /nfs/dbraw/zinc/25/70/71/351257071.db2.gz JMIXGEMELSJSBR-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN COc1ccccc1[C@H]1CCOCCN1C ZINC000616656482 351203247 /nfs/dbraw/zinc/20/32/47/351203247.db2.gz VXDGAWRFLCJNIM-GFCCVEGCSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)(C)N1CCOC[C@@H](OC(F)(F)F)C1 ZINC000616661874 351211698 /nfs/dbraw/zinc/21/16/98/351211698.db2.gz ZQAHJXJCQDNFGZ-QMMMGPOBSA-N 0 1 241.253 2.022 10 0 BEAEMN Cc1cccc(CNCc2nc(C)ccc2O)n1 ZINC000103343254 351312400 /nfs/dbraw/zinc/31/24/00/351312400.db2.gz AXSYLZQLKBPQHY-UHFFFAOYSA-N 0 1 243.310 2.089 10 0 BEAEMN F[C@H](c1ccns1)[C@@H]1CCCCN1 ZINC000306875930 351270369 /nfs/dbraw/zinc/27/03/69/351270369.db2.gz BBMHWTMAUCVARZ-CBAPKCEASA-N 0 1 200.282 2.296 10 0 BEAEMN F[C@@H](c1ccns1)[C@@H]1CCCCN1 ZINC000306875931 351270563 /nfs/dbraw/zinc/27/05/63/351270563.db2.gz BBMHWTMAUCVARZ-IONNQARKSA-N 0 1 200.282 2.296 10 0 BEAEMN COC(=O)c1ccc(F)c(O)c1Br ZINC000307039035 351437016 /nfs/dbraw/zinc/43/70/16/351437016.db2.gz GWDAQBVRFIEVGN-UHFFFAOYSA-N 0 1 249.035 2.080 10 0 BEAEMN CC1(C)CC[C@H]1[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000306998579 351412738 /nfs/dbraw/zinc/41/27/38/351412738.db2.gz YJTZGUKOWAFCMG-NXEZZACHSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@H]1CCCC12CCC2 ZINC000307017274 351422884 /nfs/dbraw/zinc/42/28/84/351422884.db2.gz PWJHSJRIZFBVEZ-ZJUUUORDSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)[C@@H]1CCCC12CCC2 ZINC000307017272 351423056 /nfs/dbraw/zinc/42/30/56/351423056.db2.gz PWJHSJRIZFBVEZ-VHSXEESVSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1CCCC12CCC2 ZINC000307017270 351423162 /nfs/dbraw/zinc/42/31/62/351423162.db2.gz PWJHSJRIZFBVEZ-UWVGGRQHSA-N 0 1 211.305 2.114 10 0 BEAEMN CC1(C)CC[C@@H]1[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000307121327 351489780 /nfs/dbraw/zinc/48/97/80/351489780.db2.gz IXXPIYHZZABBHE-CABZTGNLSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](N)c1nc(-c2ccns2)cs1 ZINC000307278039 351833494 /nfs/dbraw/zinc/83/34/94/351833494.db2.gz SVIIEGOWUWBSGN-YFKPBYRVSA-N 0 1 211.315 2.286 10 0 BEAEMN Cc1nsc([C@]2(N)CCC[C@H](C)C2)n1 ZINC000307303060 351928692 /nfs/dbraw/zinc/92/86/92/351928692.db2.gz FOUMACPHNXICBC-XVKPBYJWSA-N 0 1 211.334 2.211 10 0 BEAEMN Brc1csnc1[C@H]1CCCN1 ZINC000404781356 352431290 /nfs/dbraw/zinc/43/12/90/352431290.db2.gz CKASUWDAQRXIDJ-ZCFIWIBFSA-N 0 1 233.134 2.330 10 0 BEAEMN C[C@]1([C@@H](N)c2ccsn2)CCCCO1 ZINC000307450635 352601258 /nfs/dbraw/zinc/60/12/58/352601258.db2.gz OVOHYRVKLIASJN-VHSXEESVSA-N 0 1 212.318 2.102 10 0 BEAEMN CCOc1ccc2nc(CN)sc2c1 ZINC000031894568 352602756 /nfs/dbraw/zinc/60/27/56/352602756.db2.gz UCFHJQLVHVHZLN-UHFFFAOYSA-N 0 1 208.286 2.154 10 0 BEAEMN CNCc1coc(COCc2ccccc2)n1 ZINC000307587707 352662066 /nfs/dbraw/zinc/66/20/66/352662066.db2.gz VBGGEAORUTUKTG-UHFFFAOYSA-N 0 1 232.283 2.111 10 0 BEAEMN C[C@H](NC1=NCCCS1)C(C)(F)F ZINC000307594160 352664795 /nfs/dbraw/zinc/66/47/95/352664795.db2.gz JWNLNPQBEJWISW-LURJTMIESA-N 0 1 208.277 2.113 10 0 BEAEMN COC(=O)CCCN[C@@H](C)c1csc(C)n1 ZINC000037417150 358473121 /nfs/dbraw/zinc/47/31/21/358473121.db2.gz YFDZTZHYBDIDJG-QMMMGPOBSA-N 0 1 242.344 2.055 10 0 BEAEMN OC1CC(NCc2ccsc2Cl)C1 ZINC000306248667 352999921 /nfs/dbraw/zinc/99/99/21/352999921.db2.gz XPYZOFLVMMRDFS-UHFFFAOYSA-N 0 1 217.721 2.014 10 0 BEAEMN C[C@H]1C[C@H]1c1ccc(CNC2(CO)CC2)o1 ZINC000120374576 188075225 /nfs/dbraw/zinc/07/52/25/188075225.db2.gz QVVSAZXXUIDOPH-GXSJLCMTSA-N 0 1 221.300 2.018 10 0 BEAEMN CC(C)(C)c1ccc(-c2n[nH]c(=O)o2)cc1 ZINC000006493056 188103195 /nfs/dbraw/zinc/10/31/95/188103195.db2.gz KKHGGXFIVHICQX-UHFFFAOYSA-N 0 1 218.256 2.327 10 0 BEAEMN C[C@@H]1CO[C@@H](c2ccc(Cl)s2)CN1 ZINC000035286471 188111479 /nfs/dbraw/zinc/11/14/79/188111479.db2.gz PQHXSCSSYWJBPU-RNFRBKRXSA-N 0 1 217.721 2.451 10 0 BEAEMN COc1ccc([C@H](NC2COC2)C2CC2)cc1 ZINC000094710058 188145941 /nfs/dbraw/zinc/14/59/41/188145941.db2.gz CZTXKGCFYZASGQ-CQSZACIVSA-N 0 1 233.311 2.135 10 0 BEAEMN COc1ccc(F)cc1C(=O)CNC(C)(C)C ZINC000049829661 188125257 /nfs/dbraw/zinc/12/52/57/188125257.db2.gz OQFNWOZJIDZFAW-UHFFFAOYSA-N 0 1 239.290 2.405 10 0 BEAEMN C[C@H]1CCC[C@@H](OCc2cc(CN)no2)C1 ZINC000052631986 188126453 /nfs/dbraw/zinc/12/64/53/188126453.db2.gz BVUWMWPRONQTCB-GXSJLCMTSA-N 0 1 224.304 2.229 10 0 BEAEMN CC(C)(C)[C@H](N)c1nncn1C1CCCC1 ZINC000054526479 188127235 /nfs/dbraw/zinc/12/72/35/188127235.db2.gz LJVZFXVXXWUBHF-SNVBAGLBSA-N 0 1 222.336 2.439 10 0 BEAEMN CCCC(=O)C1=C(O)C(C)(C)OC1(C)C ZINC000122141754 538110691 /nfs/dbraw/zinc/11/06/91/538110691.db2.gz GEVIEQUUBAWHES-SECBINFHSA-N 0 1 212.289 2.128 10 0 BEAEMN C/C=C/C[N@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592169 188152649 /nfs/dbraw/zinc/15/26/49/188152649.db2.gz RSADWTYZYFSAMG-KXMPLOMGSA-N 0 1 237.324 2.308 10 0 BEAEMN Cc1cc(N)cnc1N(C)CC(C)(C)C ZINC000052813426 188158445 /nfs/dbraw/zinc/15/84/45/188158445.db2.gz JXCWBEGFWHOIKW-UHFFFAOYSA-N 0 1 207.321 2.455 10 0 BEAEMN CC(C)(C)c1ccc(OC2CC2)c(CN)n1 ZINC000095738191 188147227 /nfs/dbraw/zinc/14/72/27/188147227.db2.gz HEGCTLXDGVRPSW-UHFFFAOYSA-N 0 1 220.316 2.379 10 0 BEAEMN CC(C)[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000021517442 188179023 /nfs/dbraw/zinc/17/90/23/188179023.db2.gz KGSPSTLKEKPUKZ-LLVKDONJSA-N 0 1 207.273 2.153 10 0 BEAEMN C[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062753164 188185185 /nfs/dbraw/zinc/18/51/85/188185185.db2.gz BBSCOPHVYDPHFO-NWDGAFQWSA-N 0 1 225.332 2.362 10 0 BEAEMN CC1(C)CN(Cc2cccc3c2NCC3)CCO1 ZINC000130497414 353353912 /nfs/dbraw/zinc/35/39/12/353353912.db2.gz ASTUDPFMEGUCKD-UHFFFAOYSA-N 0 1 246.354 2.265 10 0 BEAEMN CC(C)COc1nc(Cl)nc2nc[nH]c21 ZINC000160181041 353401452 /nfs/dbraw/zinc/40/14/52/353401452.db2.gz ZDYUMEPKPSNHOV-UHFFFAOYSA-N 0 1 226.667 2.041 10 0 BEAEMN CC1CC([N@H+]2CCCC[C@]2(C)C(=O)[O-])C1 ZINC000232815675 353582926 /nfs/dbraw/zinc/58/29/26/353582926.db2.gz NYDDPPXKUMAJPZ-RTYFJBAXSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(=O)Nc1ccc2sc(C)nc2c1O ZINC000045237392 188480612 /nfs/dbraw/zinc/48/06/12/188480612.db2.gz BBKXDRJWILWKCI-UHFFFAOYSA-N 0 1 222.269 2.269 10 0 BEAEMN Fc1cnccc1[C@@H]1NCCc2ccccc21 ZINC000083694584 181020476 /nfs/dbraw/zinc/02/04/76/181020476.db2.gz VRHFPJZFCWNIIS-CQSZACIVSA-N 0 1 228.270 2.456 10 0 BEAEMN NCc1cnc(-c2cnc(C3CC3)o2)s1 ZINC000530250434 324559598 /nfs/dbraw/zinc/55/95/98/324559598.db2.gz JSBZTPRKLLXIEN-UHFFFAOYSA-N 0 1 221.285 2.134 10 0 BEAEMN CSCCCCNCc1cscn1 ZINC000124936905 324628530 /nfs/dbraw/zinc/62/85/30/324628530.db2.gz SUKIRDPDVHCNNW-UHFFFAOYSA-N 0 1 216.375 2.376 10 0 BEAEMN C[C@](N)(C(=O)c1ccccc1F)C1CC1 ZINC000168567079 356422279 /nfs/dbraw/zinc/42/22/79/356422279.db2.gz GVDJDAUDLQNDHN-GFCCVEGCSA-N 0 1 207.248 2.136 10 0 BEAEMN Nc1cc(Cl)cc(F)c1CNC1CC1 ZINC000675051666 538475414 /nfs/dbraw/zinc/47/54/14/538475414.db2.gz XBDCSNBDXXWHGV-UHFFFAOYSA-N 0 1 214.671 2.313 10 0 BEAEMN CCc1cn2c(n1)[C@@H](CC(F)F)NCCC2 ZINC000675067654 538495342 /nfs/dbraw/zinc/49/53/42/538495342.db2.gz GKVOFGMUDGTBIH-SECBINFHSA-N 0 1 229.274 2.135 10 0 BEAEMN CCCc1cn2c(n1)[C@H](CSC)NCCC2 ZINC000675069753 538498992 /nfs/dbraw/zinc/49/89/92/538498992.db2.gz XVBZZGPHRVBZGU-NSHDSACASA-N 0 1 239.388 2.233 10 0 BEAEMN CN[C@@H]1COc2c1c(F)ccc2Br ZINC000160403844 356706066 /nfs/dbraw/zinc/70/60/66/356706066.db2.gz WJKCOVAMBNGJQD-SSDOTTSWSA-N 0 1 246.079 2.241 10 0 BEAEMN OCCN1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191680185 357783103 /nfs/dbraw/zinc/78/31/03/357783103.db2.gz MEZPKNCZRYXYMD-SNVBAGLBSA-N 0 1 241.281 2.137 10 0 BEAEMN C[C@H](O)CN1CC=C(c2ccccc2F)CC1 ZINC000192803693 357855742 /nfs/dbraw/zinc/85/57/42/357855742.db2.gz SQRQMSWIGDHHPZ-NSHDSACASA-N 0 1 235.302 2.296 10 0 BEAEMN Oc1cnn(C/C=C/c2ccccc2)c1 ZINC000585142782 491126383 /nfs/dbraw/zinc/12/63/83/491126383.db2.gz FPBNYGJHHPEJRZ-QPJJXVBHSA-N 0 1 200.241 2.302 10 0 BEAEMN CCOC(=O)C(=C(O)CC)c1ccc(F)cc1 ZINC000584595360 358252611 /nfs/dbraw/zinc/25/26/11/358252611.db2.gz RJVOHHAVHKWBML-LBPRGKRZSA-N 0 1 238.258 2.452 10 0 BEAEMN Cc1nc2cc3c(C)cc(=O)oc3cc2[nH]1 ZINC000584624243 358292362 /nfs/dbraw/zinc/29/23/62/358292362.db2.gz LLTZXZKTIMOZDE-UHFFFAOYSA-N 0 1 214.224 2.286 10 0 BEAEMN c1nn2c(c1C1CCCCC1)CNCC2 ZINC000584648410 358302675 /nfs/dbraw/zinc/30/26/75/358302675.db2.gz IWDFRTYTWJMRSF-UHFFFAOYSA-N 0 1 205.305 2.034 10 0 BEAEMN CCOC(=O)C=C(O)CC[Si](C)(C)C ZINC000584631863 358314103 /nfs/dbraw/zinc/31/41/03/358314103.db2.gz YONPQNHEXVZPSX-UHFFFAOYSA-N 0 1 216.353 2.237 10 0 BEAEMN CC[N@H+]1CCC[C@H](Nc2cc(C)ccn2)C1 ZINC000043561577 358539933 /nfs/dbraw/zinc/53/99/33/358539933.db2.gz YHSJDRKIGFCHLR-LBPRGKRZSA-N 0 1 219.332 2.286 10 0 BEAEMN CC[N@H+]1CCC[C@@H](Nc2cc(C)ccn2)C1 ZINC000043561578 358540241 /nfs/dbraw/zinc/54/02/41/358540241.db2.gz YHSJDRKIGFCHLR-GFCCVEGCSA-N 0 1 219.332 2.286 10 0 BEAEMN Cn1cccc1[C@H]1COCCN1C1CCCC1 ZINC000131712774 358690898 /nfs/dbraw/zinc/69/08/98/358690898.db2.gz NUNKSXHJNGPJKD-CQSZACIVSA-N 0 1 234.343 2.341 10 0 BEAEMN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(F)cn1 ZINC000133920086 358772539 /nfs/dbraw/zinc/77/25/39/358772539.db2.gz PJQZNSVOLXNIHG-WDEREUQCSA-N 0 1 248.305 2.157 10 0 BEAEMN CC[C@@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134247686 358784513 /nfs/dbraw/zinc/78/45/13/358784513.db2.gz SIZUSJXBQALHPY-ZJUUUORDSA-N 0 1 235.331 2.087 10 0 BEAEMN CC(C)CCOCCN1C[C@@H](C)O[C@H](C)C1 ZINC000056267252 358896188 /nfs/dbraw/zinc/89/61/88/358896188.db2.gz WPBXPRFLVZMQJK-CHWSQXEVSA-N 0 1 229.364 2.158 10 0 BEAEMN O=C([C@H]1CC=CCC1)N1CCCN(C2CC2)CC1 ZINC000061605128 358935217 /nfs/dbraw/zinc/93/52/17/358935217.db2.gz IQTPDJSDNFKSDP-ZDUSSCGKSA-N 0 1 248.370 2.039 10 0 BEAEMN CC(C)CN(C)c1c(N)cncc1Cl ZINC000306247167 359438721 /nfs/dbraw/zinc/43/87/21/359438721.db2.gz SEWDYQINLDZCHX-UHFFFAOYSA-N 0 1 213.712 2.409 10 0 BEAEMN CNC(C)(C)C(=O)c1cc(F)cc(F)c1 ZINC000169195761 359747878 /nfs/dbraw/zinc/74/78/78/359747878.db2.gz HNHAIEDBSHCAOV-UHFFFAOYSA-N 0 1 213.227 2.146 10 0 BEAEMN C[C@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)NCCS2 ZINC000306485961 360162248 /nfs/dbraw/zinc/16/22/48/360162248.db2.gz OGBQLBKULWLTOK-GXTWGEPZSA-N 0 1 248.395 2.314 10 0 BEAEMN C[C@@H]1C[C@H]1c1nc(C(F)F)c(CN)o1 ZINC000306566046 360445284 /nfs/dbraw/zinc/44/52/84/360445284.db2.gz FUWIALVXIWKNGV-RFZPGFLSSA-N 0 1 202.204 2.194 10 0 BEAEMN NCc1oc(C2CC2)nc1C(F)(F)F ZINC000306573743 360464136 /nfs/dbraw/zinc/46/41/36/360464136.db2.gz IHYIKXGXEZAPDC-UHFFFAOYSA-N 0 1 206.167 2.030 10 0 BEAEMN CCN[C@H](C)c1cn(C2CCCCC2)nn1 ZINC000381060307 360577735 /nfs/dbraw/zinc/57/77/35/360577735.db2.gz KVCAIZSPJMQQRO-SNVBAGLBSA-N 0 1 222.336 2.454 10 0 BEAEMN CCOC(=O)C(=C(O)CC)c1ccccc1 ZINC000079520987 370669481 /nfs/dbraw/zinc/66/94/81/370669481.db2.gz BHZOYDWMQNKDNV-GFCCVEGCSA-N 0 1 220.268 2.312 10 0 BEAEMN CC(C)(C)[C@H](C(=O)[O-])[N@H+]1CCCC1(C)C ZINC000306614928 361164271 /nfs/dbraw/zinc/16/42/71/361164271.db2.gz AUXYRDFGJPIFTL-VIFPVBQESA-N 0 1 213.321 2.360 10 0 BEAEMN NC1(c2nc(-c3ccco3)no2)CCCCC1 ZINC000054445336 181334871 /nfs/dbraw/zinc/33/48/71/181334871.db2.gz XVMUBLUVOYQHCY-UHFFFAOYSA-N 0 1 233.271 2.448 10 0 BEAEMN CCOc1ccc(CNCc2cn[nH]c2)cc1 ZINC000038005491 361511992 /nfs/dbraw/zinc/51/19/92/361511992.db2.gz IOPHYOSORMRGRB-UHFFFAOYSA-N 0 1 231.299 2.098 10 0 BEAEMN C[C@H](N[C@H]1CCC[C@H](O)C1)c1nccs1 ZINC000083143002 491160062 /nfs/dbraw/zinc/16/00/62/491160062.db2.gz OTYYICYJAYNCFP-GUBZILKMSA-N 0 1 226.345 2.097 10 0 BEAEMN CC[C@H]1CCCC[N@@H+]1Cc1nc(C(=O)[O-])co1 ZINC000387067987 368046568 /nfs/dbraw/zinc/04/65/68/368046568.db2.gz XTVKKCNWGSXLDY-VIFPVBQESA-N 0 1 238.287 2.137 10 0 BEAEMN CC[C@H]1CCCC[N@H+]1Cc1nc(C(=O)[O-])co1 ZINC000387067987 368046570 /nfs/dbraw/zinc/04/65/70/368046570.db2.gz XTVKKCNWGSXLDY-VIFPVBQESA-N 0 1 238.287 2.137 10 0 BEAEMN COC(=O)[C@@H](CC(C)C)N1CCCCC1 ZINC000059184666 368529937 /nfs/dbraw/zinc/52/99/37/368529937.db2.gz KHDRCDGTSVIVBG-LLVKDONJSA-N 0 1 213.321 2.060 10 0 BEAEMN O=C([O-])c1ccc2c(c1)CC[N@@H+](C1CCC1)CC2 ZINC000117113525 368954589 /nfs/dbraw/zinc/95/45/89/368954589.db2.gz FBXINWBGXBIABL-UHFFFAOYSA-N 0 1 245.322 2.338 10 0 BEAEMN C[C@@H](N)C(=O)c1ccccc1C1CCC1 ZINC000107193036 369334794 /nfs/dbraw/zinc/33/47/94/369334794.db2.gz RHWPLAXVXCAYEA-SECBINFHSA-N 0 1 203.285 2.484 10 0 BEAEMN NCc1nc(COC2CCCC2)cs1 ZINC000052600773 181501636 /nfs/dbraw/zinc/50/16/36/181501636.db2.gz WEPCMYRIJWXXGS-UHFFFAOYSA-N 0 1 212.318 2.061 10 0 BEAEMN C[C@H](c1ccsc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445189 371668762 /nfs/dbraw/zinc/66/87/62/371668762.db2.gz PYOUGHXWWMOYRB-RKDXNWHRSA-N 0 1 225.313 2.216 10 0 BEAEMN C[C@@H](c1ccco1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396332 371660374 /nfs/dbraw/zinc/66/03/74/371660374.db2.gz IKQFBOLXUTZYBN-VHSXEESVSA-N 0 1 223.272 2.137 10 0 BEAEMN COC(=O)Cc1c(Cl)ccc(O)c1Cl ZINC000215940375 371661946 /nfs/dbraw/zinc/66/19/46/371661946.db2.gz JTXWGJXBAJJGQZ-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN Nc1nc2ccccc2n1Cc1ccccn1 ZINC000020586094 181794067 /nfs/dbraw/zinc/79/40/67/181794067.db2.gz JGFGUYRUKMFFEZ-UHFFFAOYSA-N 0 1 224.267 2.062 10 0 BEAEMN C[C@@H]1[C@H](C)SCCN1[C@@H]1CCCCC1=O ZINC000132576011 371863995 /nfs/dbraw/zinc/86/39/95/371863995.db2.gz LLLIYYDNPXRMSY-OUAUKWLOSA-N 0 1 227.373 2.324 10 0 BEAEMN CN[C@H](c1ccoc1)c1scnc1C ZINC000162847867 371866243 /nfs/dbraw/zinc/86/62/43/371866243.db2.gz YJFPFKUCEXKUJF-SECBINFHSA-N 0 1 208.286 2.353 10 0 BEAEMN CC(C)C(=O)CN1CCSC(C)(C)C1 ZINC000133377974 372033598 /nfs/dbraw/zinc/03/35/98/372033598.db2.gz GQBPONMYQZCEAY-UHFFFAOYSA-N 0 1 215.362 2.039 10 0 BEAEMN Cc1cc(F)ccc1C(=O)[C@H](N)C1CC1 ZINC000306559057 372036100 /nfs/dbraw/zinc/03/61/00/372036100.db2.gz AFUWMJFLXMVCPW-LLVKDONJSA-N 0 1 207.248 2.054 10 0 BEAEMN CCc1nnc(-c2coc(Br)c2)[nH]1 ZINC000306635291 372048591 /nfs/dbraw/zinc/04/85/91/372048591.db2.gz ZHALXMQLYJKTBG-UHFFFAOYSA-N 0 1 242.076 2.390 10 0 BEAEMN Nc1ccnc(-c2ncc(C(F)(F)F)[nH]2)c1 ZINC000606303517 372093065 /nfs/dbraw/zinc/09/30/65/372093065.db2.gz RBEKDFOMAKOIPG-UHFFFAOYSA-N 0 1 228.177 2.073 10 0 BEAEMN CC(C)(C)[C@@H]1CCc2nc(C=O)[nH]c2C1 ZINC000068945604 373095413 /nfs/dbraw/zinc/09/54/13/373095413.db2.gz ZCKGHWJARIRQKU-MRVPVSSYSA-N 0 1 206.289 2.373 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245225167 373198652 /nfs/dbraw/zinc/19/86/52/373198652.db2.gz OQVWISGFGXGBBL-UTUOFQBUSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@H](C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000245225608 373198679 /nfs/dbraw/zinc/19/86/79/373198679.db2.gz ZDMPFTKSZIQVIC-WOPDTQHZSA-N 0 1 225.332 2.219 10 0 BEAEMN O=C(NC1CCCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000131593396 182112793 /nfs/dbraw/zinc/11/27/93/182112793.db2.gz DWWMCVUBUSHYIF-LLVKDONJSA-N 0 1 247.342 2.279 10 0 BEAEMN C[C@H](NC1=NC[C@H](C)S1)c1nccs1 ZINC000070734418 374183988 /nfs/dbraw/zinc/18/39/88/374183988.db2.gz OXJNNLINXRDDJW-BQBZGAKWSA-N 0 1 227.358 2.285 10 0 BEAEMN CC(C)(C)[C@@H](N)c1ncc(Br)cn1 ZINC000070948331 374234499 /nfs/dbraw/zinc/23/44/99/374234499.db2.gz RNSXRDFMCOXHSY-ZETCQYMHSA-N 0 1 244.136 2.285 10 0 BEAEMN OCCCCN1CCCC[C@H]1c1nccs1 ZINC000171065473 183048566 /nfs/dbraw/zinc/04/85/66/183048566.db2.gz KCGZPLGEELQSNI-NSHDSACASA-N 0 1 240.372 2.443 10 0 BEAEMN OCCCNc1nc2ccc(Cl)cc2[nH]1 ZINC000015772888 183060140 /nfs/dbraw/zinc/06/01/40/183060140.db2.gz YCOIDNFXOZHQHG-UHFFFAOYSA-N 0 1 225.679 2.011 10 0 BEAEMN OC[C@H](NC1CC1)c1ccccc1Cl ZINC000038124296 183140136 /nfs/dbraw/zinc/14/01/36/183140136.db2.gz JPMSTSOJKOVCNH-NSHDSACASA-N 0 1 211.692 2.125 10 0 BEAEMN COCC[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000220932191 134314930 /nfs/dbraw/zinc/31/49/30/134314930.db2.gz YJZBCRREMBCXNZ-WPRPVWTQSA-N 0 1 212.293 2.059 10 0 BEAEMN OCc1cnc([C@H]2CCCc3ccccc32)[nH]1 ZINC000063158685 183160640 /nfs/dbraw/zinc/16/06/40/183160640.db2.gz OFUVKNWBYRDLDR-ZDUSSCGKSA-N 0 1 228.295 2.370 10 0 BEAEMN CCC[N@@H+](C)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000051287571 169079598 /nfs/dbraw/zinc/07/95/98/169079598.db2.gz DSUYMWKUDWBOQK-AWEZNQCLSA-N 0 1 235.327 2.371 10 0 BEAEMN Oc1ccc2c(c1)[nH]nc2-c1ccc(O)cc1O ZINC000013586321 183264767 /nfs/dbraw/zinc/26/47/67/183264767.db2.gz WLDZDEMGKFWJNR-UHFFFAOYSA-N 0 1 242.234 2.347 10 0 in-vivo BEAEMN Oc1ccc(-c2n[nH]c(-c3ccco3)n2)cc1 ZINC000040174265 183264893 /nfs/dbraw/zinc/26/48/93/183264893.db2.gz KVCJAYDKILMBNF-UHFFFAOYSA-N 0 1 227.223 2.437 10 0 BEAEMN [O-]c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000043476949 183270061 /nfs/dbraw/zinc/27/00/61/183270061.db2.gz KLEPQEAOCDHQMY-JTQLQIEISA-N 0 1 241.718 2.314 10 0 BEAEMN CCC[N@@H+](C[C@@H](C)C(=O)[O-])[C@@H](C)CC ZINC000058847460 169171971 /nfs/dbraw/zinc/17/19/71/169171971.db2.gz BQCDUACMQHUCGQ-ZJUUUORDSA-N 0 1 201.310 2.218 10 0 BEAEMN CCC[N@H+](c1ccc(N)c(C(=O)[O-])c1)C1CC1 ZINC000058014048 169182829 /nfs/dbraw/zinc/18/28/29/169182829.db2.gz YFXROUXLADETTL-UHFFFAOYSA-N 0 1 234.299 2.346 10 0 BEAEMN CCC[N@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592203 169210488 /nfs/dbraw/zinc/21/04/88/169210488.db2.gz YGPLUMOKNPDQIP-SNVBAGLBSA-N 0 1 225.313 2.142 10 0 BEAEMN c1cc2c(s1)CCN[C@@H]2c1ccncc1 ZINC000066054609 183364509 /nfs/dbraw/zinc/36/45/09/183364509.db2.gz RMRXFOSAHNDPSB-GFCCVEGCSA-N 0 1 216.309 2.378 10 0 BEAEMN c1ccc(CCN2CCO[C@@H]3CCCC[C@@H]32)nc1 ZINC000077482386 183393271 /nfs/dbraw/zinc/39/32/71/183393271.db2.gz RNVZRGUMPYXETN-LSDHHAIUSA-N 0 1 246.354 2.268 10 0 BEAEMN c1ccc(CCN2CCO[C@H]3CCCC[C@@H]32)nc1 ZINC000077482384 183393453 /nfs/dbraw/zinc/39/34/53/183393453.db2.gz RNVZRGUMPYXETN-GJZGRUSLSA-N 0 1 246.354 2.268 10 0 BEAEMN CCCO[C@@H]1CCCN([C@@H]2CCCCC2=O)C1 ZINC000042423652 169312215 /nfs/dbraw/zinc/31/22/15/169312215.db2.gz JBNYVKVUBHJCQW-CHWSQXEVSA-N 0 1 239.359 2.389 10 0 BEAEMN CCCSc1nc(-c2ccncc2)n[nH]1 ZINC000005560751 169341678 /nfs/dbraw/zinc/34/16/78/169341678.db2.gz OUJFPBPZUORSFP-UHFFFAOYSA-N 0 1 220.301 2.369 10 0 BEAEMN CCCOc1ccc([C@H](N)c2cnccn2)cc1 ZINC000055263596 169322272 /nfs/dbraw/zinc/32/22/72/169322272.db2.gz DNMDJJSVHAJXOE-AWEZNQCLSA-N 0 1 243.310 2.314 10 0 BEAEMN CCC[C@@H](C(=O)Nc1cccc(C)n1)N(C)C ZINC000159103111 169346164 /nfs/dbraw/zinc/34/61/64/169346164.db2.gz KOVYAJZTMXPVDV-NSHDSACASA-N 0 1 235.331 2.059 10 0 BEAEMN CCC[C@@H](C)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000051322532 169358082 /nfs/dbraw/zinc/35/80/82/169358082.db2.gz IHCHPDPFPPXLMY-MNOVXSKESA-N 0 1 213.321 2.219 10 0 BEAEMN CCC[C@@H](CC)n1nnnc1CNCC(C)C ZINC000054746504 169382309 /nfs/dbraw/zinc/38/23/09/169382309.db2.gz QFAZXEYFDXCPOR-LLVKDONJSA-N 0 1 239.367 2.170 10 0 BEAEMN CC(=O)c1cc(CN(C)C)c2ccccn12 ZINC000000179973 383842804 /nfs/dbraw/zinc/84/28/04/383842804.db2.gz DCBFXQPTCGEAFO-UHFFFAOYSA-N 0 1 216.284 2.204 10 0 BEAEMN C[C@H]1CN(C[C@@]2(C)CCCS2)CCC1=O ZINC000227394256 383856708 /nfs/dbraw/zinc/85/67/08/383856708.db2.gz UEIWRTJUEKZBSP-CMPLNLGQSA-N 0 1 227.373 2.183 10 0 BEAEMN C[C@H](NCc1ncccc1Cl)[C@@H]1CCCO1 ZINC000528441769 383890051 /nfs/dbraw/zinc/89/00/51/383890051.db2.gz APGDGYAGNMFERC-CABZTGNLSA-N 0 1 240.734 2.392 10 0 BEAEMN Nc1cc(C(F)(F)F)cc2[nH]ncc21 ZINC000089196501 383941393 /nfs/dbraw/zinc/94/13/93/383941393.db2.gz IHQAYTCBMNCOKS-UHFFFAOYSA-N 0 1 201.151 2.164 10 0 BEAEMN C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C(=O)[O-] ZINC000304203077 384019589 /nfs/dbraw/zinc/01/95/89/384019589.db2.gz YHCLYRUYRFDNLI-KXUCPTDWSA-N 0 1 247.285 2.074 10 0 BEAEMN Cc1cc(C)cc(-c2cc(CN)on2)c1 ZINC000069970204 384070674 /nfs/dbraw/zinc/07/06/74/384070674.db2.gz SZLKZVPHFUJXHL-UHFFFAOYSA-N 0 1 202.257 2.417 10 0 BEAEMN Cc1n[nH]c2c1[C@H](O)C[C@H](c1ccco1)C2 ZINC000072415239 384099263 /nfs/dbraw/zinc/09/92/63/384099263.db2.gz WZNMXAFMPVUZEK-PSASIEDQSA-N 0 1 218.256 2.075 10 0 BEAEMN NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000050224130 384163401 /nfs/dbraw/zinc/16/34/01/384163401.db2.gz BWCPUVMCRIOVCQ-UHFFFAOYSA-N 0 1 243.097 2.033 10 0 BEAEMN Clc1ncc(CNC2CC2)c(Cl)n1 ZINC000072194561 384199627 /nfs/dbraw/zinc/19/96/27/384199627.db2.gz ZYGWOEBYMNQBTB-UHFFFAOYSA-N 0 1 218.087 2.035 10 0 BEAEMN Cn1cccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000093438482 384238333 /nfs/dbraw/zinc/23/83/33/384238333.db2.gz MMVJOMMATSFZPR-AWEZNQCLSA-N 0 1 244.342 2.475 10 0 BEAEMN CC(=O)CCN(C)Cc1ccc(F)c(F)c1 ZINC000121189490 384400778 /nfs/dbraw/zinc/40/07/78/384400778.db2.gz ZKXFQANNIVTTJO-UHFFFAOYSA-N 0 1 227.254 2.376 10 0 BEAEMN COc1ccc(CCN2[C@H](C)COC[C@@H]2C)cc1 ZINC000120809321 384383169 /nfs/dbraw/zinc/38/31/69/384383169.db2.gz AGRFNBQOLVFNFY-BETUJISGSA-N 0 1 249.354 2.347 10 0 BEAEMN CN[C@H](C)c1nc(-c2cccs2)no1 ZINC000047848502 384485104 /nfs/dbraw/zinc/48/51/04/384485104.db2.gz HNECOLKQRKZQRD-ZCFIWIBFSA-N 0 1 209.274 2.079 10 0 BEAEMN NCc1nccc(-c2ccc(Cl)cc2)n1 ZINC000082537549 384690523 /nfs/dbraw/zinc/69/05/23/384690523.db2.gz XSXLWMBFCHMRHB-UHFFFAOYSA-N 0 1 219.675 2.256 10 0 BEAEMN Cc1ccc(CN(C)C[C@H]2CCCO2)o1 ZINC000102671610 384722131 /nfs/dbraw/zinc/72/21/31/384722131.db2.gz TUEQGFBOXUKZRV-LLVKDONJSA-N 0 1 209.289 2.199 10 0 BEAEMN CCCn1nc(C)c(C[N@@H+](C)CC)c1C ZINC000126251774 384784992 /nfs/dbraw/zinc/78/49/92/384784992.db2.gz PIWATSMPXYJFBT-UHFFFAOYSA-N 0 1 209.337 2.362 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@H](C)CC[C@@H]1C ZINC000174469772 384795270 /nfs/dbraw/zinc/79/52/70/384795270.db2.gz XKDGKNCRQYLFIJ-MNOVXSKESA-N 0 1 236.363 2.227 10 0 BEAEMN c1cc2c(o1)CCC[C@@H]2NCc1cncnc1 ZINC000054767187 384854366 /nfs/dbraw/zinc/85/43/66/384854366.db2.gz XGAGWJHWPVDYCB-LBPRGKRZSA-N 0 1 229.283 2.237 10 0 BEAEMN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1cscn1 ZINC000127864812 384955722 /nfs/dbraw/zinc/95/57/22/384955722.db2.gz GSYLWRYUBBFREX-AXFHLTTASA-N 0 1 240.372 2.345 10 0 BEAEMN COC(=O)[C@@H](CC(C)C)N1CC[C@H](C(F)F)C1 ZINC000586768397 384914729 /nfs/dbraw/zinc/91/47/29/384914729.db2.gz DMXYYGOFEUDFQD-VHSXEESVSA-N 0 1 249.301 2.161 10 0 BEAEMN CCCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106424576 384916149 /nfs/dbraw/zinc/91/61/49/384916149.db2.gz OTJIEGDNYOMOBL-AWEZNQCLSA-N 0 1 248.370 2.076 10 0 BEAEMN CCC[C@H](C(=O)Nc1cc(C)ns1)N(C)C ZINC000127719260 384938549 /nfs/dbraw/zinc/93/85/49/384938549.db2.gz BUPDYXCQVYRNKQ-SECBINFHSA-N 0 1 241.360 2.120 10 0 BEAEMN CN(Cc1ccns1)C[C@@H]1CCC[C@H](O)C1 ZINC000404384534 384973012 /nfs/dbraw/zinc/97/30/12/384973012.db2.gz ISUJCPXUCMPRHE-MNOVXSKESA-N 0 1 240.372 2.126 10 0 BEAEMN CCc1nnc(CN(CC)C[C@H](C)CC)n1C ZINC000177852177 385126931 /nfs/dbraw/zinc/12/69/31/385126931.db2.gz MAYBTIGNYNZYQR-LLVKDONJSA-N 0 1 238.379 2.246 10 0 BEAEMN O=C(c1ccsc1)[C@@H]1CN2CCC1CC2 ZINC000215681688 385323029 /nfs/dbraw/zinc/32/30/29/385323029.db2.gz LVPOQEDDJVEXCC-LLVKDONJSA-N 0 1 221.325 2.273 10 0 BEAEMN Cn1cc([C@@H]2CCCN2Cc2ccco2)cn1 ZINC000131809659 385362372 /nfs/dbraw/zinc/36/23/72/385362372.db2.gz PYPTVAFXOCTUOT-ZDUSSCGKSA-N 0 1 231.299 2.350 10 0 BEAEMN Cn1cc([C@H]2CCCN2Cc2cccn2C)cn1 ZINC000131960247 385369558 /nfs/dbraw/zinc/36/95/58/385369558.db2.gz GIUQKPXEKZBYHB-CQSZACIVSA-N 0 1 244.342 2.096 10 0 BEAEMN C[C@@H](O)CN1C[C@H](c2ccccc2)OCC1(C)C ZINC000192977644 385377971 /nfs/dbraw/zinc/37/79/71/385377971.db2.gz OKIKAASARHUOTK-TZMCWYRMSA-N 0 1 249.354 2.219 10 0 BEAEMN O=C([O-])[C@@H]1CC[N@H+]1[C@H](c1ccccc1)C1CC1 ZINC000016124836 385398097 /nfs/dbraw/zinc/39/80/97/385398097.db2.gz IGZBEONIJJAHDG-QWHCGFSZSA-N 0 1 231.295 2.297 10 0 BEAEMN CC(C)C[N@H+]1CCC[C@@H](CC(=O)[O-])CC1 ZINC000257652386 385486422 /nfs/dbraw/zinc/48/64/22/385486422.db2.gz GLPQAAHYEHEIDT-LLVKDONJSA-N 0 1 213.321 2.219 10 0 BEAEMN CC[C@H](C)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000408197703 385608636 /nfs/dbraw/zinc/60/86/36/385608636.db2.gz JLZYPWPULJMKOW-VHSXEESVSA-N 0 1 238.335 2.083 10 0 BEAEMN O=C([O-])C[N@H+]1CCC2(C1)CCCCCC2 ZINC000309688816 385792521 /nfs/dbraw/zinc/79/25/21/385792521.db2.gz OYMUIDFTRMHDRC-UHFFFAOYSA-N 0 1 211.305 2.117 10 0 BEAEMN C[C@H]1CC[C@@]2(CS1)NCCCS2 ZINC000575534666 385899402 /nfs/dbraw/zinc/89/94/02/385899402.db2.gz LPCCPBLPJSVQSA-DTWKUNHWSA-N 0 1 203.376 2.325 10 0 BEAEMN Cc1ccc(Nc2n[nH]c(N)n2)cc1Cl ZINC000072416789 386036749 /nfs/dbraw/zinc/03/67/49/386036749.db2.gz FYJRJWINKJEOAS-UHFFFAOYSA-N 0 1 223.667 2.092 10 0 BEAEMN CCOCCNCc1nc2ccccc2n1CC ZINC000037979084 386112008 /nfs/dbraw/zinc/11/20/08/386112008.db2.gz PYGVPSQNCOPSQU-UHFFFAOYSA-N 0 1 247.342 2.182 10 0 BEAEMN CC(C)[C@@H]1CCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000129518012 386082720 /nfs/dbraw/zinc/08/27/20/386082720.db2.gz ZIYJOIPGKRKJMH-KGLIPLIRSA-N 0 1 246.354 2.191 10 0 BEAEMN C[C@@H](O)CCN1CCCC[C@@H]1c1nccs1 ZINC000336683152 386345480 /nfs/dbraw/zinc/34/54/80/386345480.db2.gz SOVKHDUHGBVGOS-GHMZBOCLSA-N 0 1 240.372 2.441 10 0 BEAEMN CC(C)[C@H]1CCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000135198240 386490024 /nfs/dbraw/zinc/49/00/24/386490024.db2.gz ZIYJOIPGKRKJMH-UONOGXRCSA-N 0 1 246.354 2.191 10 0 BEAEMN Cn1cccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245514587 386596065 /nfs/dbraw/zinc/59/60/65/386596065.db2.gz GFFHVKIIEUQWBM-KGLIPLIRSA-N 0 1 234.343 2.169 10 0 BEAEMN Cn1nc(CN2CCCCC2)c2c1NCCCC2 ZINC000003697795 386803006 /nfs/dbraw/zinc/80/30/06/386803006.db2.gz BYDDEHLWKZAAQE-UHFFFAOYSA-N 0 1 248.374 2.154 10 0 BEAEMN Cc1nnc(CNC2(C3CCC3)CCC2)o1 ZINC000519101879 387010263 /nfs/dbraw/zinc/01/02/63/387010263.db2.gz KTNJEGQBHIQRHV-UHFFFAOYSA-N 0 1 221.304 2.190 10 0 BEAEMN O[C@H]1CCCN(CCC(F)(F)C(F)(F)F)C1 ZINC000575411065 387012548 /nfs/dbraw/zinc/01/25/48/387012548.db2.gz WHGFQYJYHLTXCN-ZETCQYMHSA-N 0 1 247.207 2.031 10 0 BEAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C)n2)o1 ZINC000392423359 387078462 /nfs/dbraw/zinc/07/84/62/387078462.db2.gz SMTYFGXPQGALAR-BDAKNGLRSA-N 0 1 234.303 2.426 10 0 BEAEMN CC(C)(C)OCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000068334085 387105752 /nfs/dbraw/zinc/10/57/52/387105752.db2.gz ZELAOBODSVZMGS-QWHCGFSZSA-N 0 1 241.375 2.445 10 0 BEAEMN COc1c(CN2CCCC3(CC3)C2)c(C)nn1C ZINC000186607955 387117727 /nfs/dbraw/zinc/11/77/27/387117727.db2.gz ANXYOKJPHUTXSX-UHFFFAOYSA-N 0 1 249.358 2.113 10 0 BEAEMN c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000120036127 387150210 /nfs/dbraw/zinc/15/02/10/387150210.db2.gz MSDLLUDDJHMYDR-CQSZACIVSA-N 0 1 249.358 2.363 10 0 BEAEMN c1n[nH]cc1[C@H]1CCCCN1CCOCC1CC1 ZINC000120036127 387150215 /nfs/dbraw/zinc/15/02/15/387150215.db2.gz MSDLLUDDJHMYDR-CQSZACIVSA-N 0 1 249.358 2.363 10 0 BEAEMN CC(C)(C)c1ncc(CNC2(CO)CC2)s1 ZINC000120376127 387234118 /nfs/dbraw/zinc/23/41/18/387234118.db2.gz IXHPVPROQGQICG-UHFFFAOYSA-N 0 1 240.372 2.055 10 0 BEAEMN Cc1ncc(-c2cnc(CN)s2)s1 ZINC000575490583 387257065 /nfs/dbraw/zinc/25/70/65/387257065.db2.gz IAFQMZJFPUNXCY-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN Nc1ccc(Cl)c(O)c1Br ZINC000575719758 387439636 /nfs/dbraw/zinc/43/96/36/387439636.db2.gz ISMHEIPBOGKXBZ-UHFFFAOYSA-N 0 1 222.469 2.390 10 0 BEAEMN C[C@@H]1CC[C@@](F)(c2cncs2)CN1 ZINC000575518751 387439853 /nfs/dbraw/zinc/43/98/53/387439853.db2.gz SXEZCIJZKQGMQM-APPZFPTMSA-N 0 1 200.282 2.080 10 0 BEAEMN CSCCCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121679620 387392556 /nfs/dbraw/zinc/39/25/56/387392556.db2.gz NVAWYXSFYVVNTB-JTQLQIEISA-N 0 1 240.376 2.085 10 0 BEAEMN CC[C@H]1CN(C[C@](C)(O)c2ccccc2)CCO1 ZINC000052097002 387802839 /nfs/dbraw/zinc/80/28/39/387802839.db2.gz FUFIOKMXZPWJQG-GJZGRUSLSA-N 0 1 249.354 2.005 10 0 BEAEMN CC(=O)c1cc(C(F)F)cc(O)c1C#N ZINC000575643669 387869643 /nfs/dbraw/zinc/86/96/43/387869643.db2.gz SCFUHHLYALNHGC-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN CCOC(=O)c1cc(Cl)nc(Cl)c1O ZINC000575623945 387814170 /nfs/dbraw/zinc/81/41/70/387814170.db2.gz DJNHKCAXJRJLCR-UHFFFAOYSA-N 0 1 236.054 2.271 10 0 BEAEMN CCC[C@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000194599526 387884964 /nfs/dbraw/zinc/88/49/64/387884964.db2.gz NFKAAHUSIBMMTF-LBPRGKRZSA-N 0 1 238.375 2.119 10 0 BEAEMN CCC(CC)C(=O)N1CCCN(C2CC2)CC1 ZINC000195412070 387914322 /nfs/dbraw/zinc/91/43/22/387914322.db2.gz HWBDHZBGDWFCIJ-UHFFFAOYSA-N 0 1 238.375 2.119 10 0 BEAEMN CCC[C@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195247581 387916308 /nfs/dbraw/zinc/91/63/08/387916308.db2.gz QDTGXEBUSUEDHD-QWHCGFSZSA-N 0 1 238.375 2.119 10 0 BEAEMN COC(=O)c1cccnc1CN1[C@H](C)CC[C@@H]1C ZINC000459371144 387933916 /nfs/dbraw/zinc/93/39/16/387933916.db2.gz ROOWPVYGBDYKAL-PHIMTYICSA-N 0 1 248.326 2.241 10 0 BEAEMN CC[C@@H](N)c1noc(-c2cccs2)n1 ZINC000041052422 387959685 /nfs/dbraw/zinc/95/96/85/387959685.db2.gz LVDPMAVNCKTTBT-ZCFIWIBFSA-N 0 1 209.274 2.208 10 0 BEAEMN CC[C@H](N)c1noc(-c2cccs2)n1 ZINC000041052421 387959996 /nfs/dbraw/zinc/95/99/96/387959996.db2.gz LVDPMAVNCKTTBT-LURJTMIESA-N 0 1 209.274 2.208 10 0 BEAEMN CCN(C)[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000245855528 387988815 /nfs/dbraw/zinc/98/88/15/387988815.db2.gz OJZMSKGYVKCORR-XBFCOCLRSA-N 0 1 246.354 2.204 10 0 BEAEMN CC[C@@H](N)C(=O)c1c(F)cccc1Cl ZINC000306620753 388011420 /nfs/dbraw/zinc/01/14/20/388011420.db2.gz XUTYHMFMLKJSNH-MRVPVSSYSA-N 0 1 215.655 2.399 10 0 BEAEMN CC(C)(C)OC(=O)N1CCN2CCCC[C@H]2C1 ZINC000082609843 388037031 /nfs/dbraw/zinc/03/70/31/388037031.db2.gz RSZAJDMSCKVLQG-NSHDSACASA-N 0 1 240.347 2.092 10 0 BEAEMN CCn1c(C)nnc1CN(CC(C)C)C(C)C ZINC000195067594 388089854 /nfs/dbraw/zinc/08/98/54/388089854.db2.gz LOTPQYHIYOEITF-UHFFFAOYSA-N 0 1 238.379 2.473 10 0 BEAEMN c1cc(CN[C@H]2COc3ccccc32)c[nH]1 ZINC000085579959 388090726 /nfs/dbraw/zinc/09/07/26/388090726.db2.gz UFENJSWPTMVTLB-LBPRGKRZSA-N 0 1 214.268 2.238 10 0 BEAEMN O=C1CCNC[C@H]1Cc1cccc(Cl)c1 ZINC000071531461 388097652 /nfs/dbraw/zinc/09/76/52/388097652.db2.gz OJGOOQYBJXTGHN-SNVBAGLBSA-N 0 1 223.703 2.061 10 0 BEAEMN C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(C2CC2)o1 ZINC000646092163 388140562 /nfs/dbraw/zinc/14/05/62/388140562.db2.gz MUVBCVPENJMJBA-OUAUKWLOSA-N 0 1 233.315 2.225 10 0 BEAEMN CCCc1noc(CN[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646093788 388141385 /nfs/dbraw/zinc/14/13/85/388141385.db2.gz JOMAGKKRRCAOTK-HBNTYKKESA-N 0 1 235.331 2.300 10 0 BEAEMN CCC[C@@H]1C[C@H]1N[C@H]1CCn2ccnc21 ZINC000293904560 388392949 /nfs/dbraw/zinc/39/29/49/388392949.db2.gz HNOGKCXAHBCRFF-OUAUKWLOSA-N 0 1 205.305 2.106 10 0 BEAEMN Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)[O-])s1 ZINC000237784789 388398602 /nfs/dbraw/zinc/39/86/02/388398602.db2.gz GKWPRBFEOHNVSE-VIFPVBQESA-N 0 1 225.313 2.278 10 0 BEAEMN NCc1ccc(C(=O)c2cccs2)o1 ZINC000041215752 388433963 /nfs/dbraw/zinc/43/39/63/388433963.db2.gz UTIUUVMXJWGSFB-UHFFFAOYSA-N 0 1 207.254 2.031 10 0 BEAEMN CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374460323 388652868 /nfs/dbraw/zinc/65/28/68/388652868.db2.gz FZBZZAMXOOOVFX-COPLHBTASA-N 0 1 247.342 2.340 10 0 BEAEMN CC[N@@H+](C)Cc1cccc(OCCOC)c1 ZINC000126260512 388691995 /nfs/dbraw/zinc/69/19/95/388691995.db2.gz KDGXSWYMFSNCSM-UHFFFAOYSA-N 0 1 223.316 2.164 10 0 BEAEMN CC[C@H](C)N1CCN(c2ccc(C=O)cc2)CC1 ZINC000002458123 132314846 /nfs/dbraw/zinc/31/48/46/132314846.db2.gz RKPDSEUYOKGBBE-ZDUSSCGKSA-N 0 1 246.354 2.420 10 0 BEAEMN CNc1nc(N2CCCCC2)nc(C)c1C ZINC000050864138 132359454 /nfs/dbraw/zinc/35/94/54/132359454.db2.gz AIXVRLPAWPFBLN-UHFFFAOYSA-N 0 1 220.320 2.125 10 0 BEAEMN C[C@@H]1C[C@@H](C)CCN1c1cc(C(=O)[O-])cc[nH+]1 ZINC000051746515 132361830 /nfs/dbraw/zinc/36/18/30/132361830.db2.gz NQXZHFGHDVFYPL-VHSXEESVSA-N 0 1 234.299 2.405 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1C[C@@H]1CCC(C)(C)O1 ZINC000184658888 134367423 /nfs/dbraw/zinc/36/74/23/134367423.db2.gz HRIPHRHZZHSHTA-TUAOUCFPSA-N 0 1 227.348 2.053 10 0 BEAEMN CCCC[N@H+]1CC[C@H](CC(=O)[O-])[C@@H](C)C1 ZINC000226859030 134370182 /nfs/dbraw/zinc/37/01/82/134370182.db2.gz HIQZWFQQPUSNTI-WDEREUQCSA-N 0 1 213.321 2.219 10 0 BEAEMN CC(C)CCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195042465 134834495 /nfs/dbraw/zinc/83/44/95/134834495.db2.gz FLJCYHYOWXFUPO-ZDUSSCGKSA-N 0 1 238.375 2.119 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1C[C@@H](O)C1CCCCC1 ZINC000249143041 135034645 /nfs/dbraw/zinc/03/46/45/135034645.db2.gz WLAAGZQFIARUNZ-MBNYWOFBSA-N 0 1 241.375 2.037 10 0 BEAEMN CCC[C@H](C(=O)OCC)N1C[C@H]2CCC[C@H]21 ZINC000348261896 136057925 /nfs/dbraw/zinc/05/79/25/136057925.db2.gz HKHANGVFQGSYKQ-IJLUTSLNSA-N 0 1 225.332 2.203 10 0 BEAEMN COC(=O)c1cccnc1CN(C)C1CCCC1 ZINC000302254118 397909755 /nfs/dbraw/zinc/90/97/55/397909755.db2.gz AQAULJSLGJYZDI-UHFFFAOYSA-N 0 1 248.326 2.243 10 0 BEAEMN Cc1cccc([C@@H]2NCCc3cc(O)ccc32)n1 ZINC000033390296 398011606 /nfs/dbraw/zinc/01/16/06/398011606.db2.gz SKSZOMKGBNRXFL-OAHLLOKOSA-N 0 1 240.306 2.331 10 0 BEAEMN CC(C)NCc1nncn1C1CCCCC1 ZINC000054526553 167123963 /nfs/dbraw/zinc/12/39/63/167123963.db2.gz SPQSRXMPQNKYOC-UHFFFAOYSA-N 0 1 222.336 2.281 10 0 BEAEMN CC(C)[N@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592205 167028036 /nfs/dbraw/zinc/02/80/36/167028036.db2.gz PVOVANQASJQMNR-SNVBAGLBSA-N 0 1 225.313 2.140 10 0 BEAEMN CC(C)N[C@@]1(c2nccs2)CCSC1 ZINC000041061524 167137164 /nfs/dbraw/zinc/13/71/64/167137164.db2.gz ZIRFQVSRTQJHBE-JTQLQIEISA-N 0 1 228.386 2.473 10 0 BEAEMN CC(C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000037757116 167144344 /nfs/dbraw/zinc/14/43/44/167144344.db2.gz MXMXLGKWLMPMBJ-UHFFFAOYSA-N 0 1 202.257 2.348 10 0 BEAEMN CC(C)Sc1nc(C[C@@H]2CCCO2)n[nH]1 ZINC000073739491 167338188 /nfs/dbraw/zinc/33/81/88/167338188.db2.gz FMQIKMJBMJOAJY-QMMMGPOBSA-N 0 1 227.333 2.027 10 0 BEAEMN CC(C)Sc1n[nH]c(C[C@@H]2CCCO2)n1 ZINC000073739491 167338190 /nfs/dbraw/zinc/33/81/90/167338190.db2.gz FMQIKMJBMJOAJY-QMMMGPOBSA-N 0 1 227.333 2.027 10 0 BEAEMN CC(C)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000017057040 167379814 /nfs/dbraw/zinc/37/98/14/167379814.db2.gz ZNVPVMDQEBBDQD-SECBINFHSA-N 0 1 231.299 2.337 10 0 BEAEMN CC1=NN(Cc2cccc(C)c2)C(=O)[C@H]1C ZINC000109223651 411149464 /nfs/dbraw/zinc/14/94/64/411149464.db2.gz NYAVNQQKWSLEFO-JTQLQIEISA-N 0 1 216.284 2.349 10 0 BEAEMN Cc1[nH]n(Cc2cccc(C)c2)c(=O)c1C ZINC000109223651 411149465 /nfs/dbraw/zinc/14/94/65/411149465.db2.gz NYAVNQQKWSLEFO-JTQLQIEISA-N 0 1 216.284 2.349 10 0 BEAEMN c1ccc2nc(N3CCCCN3)ccc2c1 ZINC000400250318 411153185 /nfs/dbraw/zinc/15/31/85/411153185.db2.gz YAKLHLATZHZSAE-UHFFFAOYSA-N 0 1 213.284 2.340 10 0 BEAEMN CC(C)[C@H](C)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000043512517 411120959 /nfs/dbraw/zinc/12/09/59/411120959.db2.gz AQHGKIYKDJAZLU-SMDDNHRTSA-N 0 1 246.354 2.034 10 0 BEAEMN CCc1nc(CNCC[C@H]2CCCO2)cs1 ZINC000049591253 411241057 /nfs/dbraw/zinc/24/10/57/411241057.db2.gz BAXSIEFKHHVNEW-LLVKDONJSA-N 0 1 240.372 2.364 10 0 BEAEMN Fc1cccc2c1CC[C@H]2NCc1cn[nH]c1 ZINC000111356987 411167553 /nfs/dbraw/zinc/16/75/53/411167553.db2.gz BVMDFSCMGGGDFW-CYBMUJFWSA-N 0 1 231.274 2.326 10 0 BEAEMN CC(C)CC[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304172763 411353276 /nfs/dbraw/zinc/35/32/76/411353276.db2.gz MAACAWWAOUKKMA-UHFFFAOYSA-N 0 1 236.315 2.258 10 0 BEAEMN CC1(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CCC1 ZINC000134475305 168034899 /nfs/dbraw/zinc/03/48/99/168034899.db2.gz VHQNQADHZHKOHM-SNVBAGLBSA-N 0 1 247.342 2.136 10 0 BEAEMN CC1(NCc2ncccn2)CCCCC1 ZINC000054459680 168064536 /nfs/dbraw/zinc/06/45/36/168064536.db2.gz HOBHQTMZAQHSEM-UHFFFAOYSA-N 0 1 205.305 2.289 10 0 BEAEMN CC1=NN(Cc2cccc(F)c2)C(=O)[C@@H]1C ZINC000104151313 168133714 /nfs/dbraw/zinc/13/37/14/168133714.db2.gz KLQHUNZJTIKZEW-MRVPVSSYSA-N 0 1 220.247 2.180 10 0 BEAEMN Cc1[nH]n(Cc2cccc(F)c2)c(=O)c1C ZINC000104151313 168133716 /nfs/dbraw/zinc/13/37/16/168133716.db2.gz KLQHUNZJTIKZEW-MRVPVSSYSA-N 0 1 220.247 2.180 10 0 BEAEMN CC1=NN(Cc2cccc(F)c2)C(=O)[C@H]1C ZINC000104151317 168134439 /nfs/dbraw/zinc/13/44/39/168134439.db2.gz KLQHUNZJTIKZEW-QMMMGPOBSA-N 0 1 220.247 2.180 10 0 BEAEMN Cc1[nH]n(Cc2cccc(F)c2)c(=O)c1C ZINC000104151317 168134443 /nfs/dbraw/zinc/13/44/43/168134443.db2.gz KLQHUNZJTIKZEW-QMMMGPOBSA-N 0 1 220.247 2.180 10 0 BEAEMN CC1CCC(Nc2ncnc3[nH]cnc32)CC1 ZINC000020562550 168167169 /nfs/dbraw/zinc/16/71/69/168167169.db2.gz JENODMRMFWSKPC-UHFFFAOYSA-N 0 1 231.303 2.344 10 0 BEAEMN CCC(C)(C)C1CCC2(CC1)NCCNC2=O ZINC000051924673 168270540 /nfs/dbraw/zinc/27/05/40/168270540.db2.gz SHGDIZOVVSENMF-UHFFFAOYSA-N 0 1 238.375 2.071 10 0 BEAEMN CCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000019476216 168295699 /nfs/dbraw/zinc/29/56/99/168295699.db2.gz UZZZADIWCWVLEJ-ZDUSSCGKSA-N 0 1 246.354 2.006 10 0 BEAEMN CCC(C)(C)c1nc([C@](C)(N)CC)no1 ZINC000054404369 168306617 /nfs/dbraw/zinc/30/66/17/168306617.db2.gz QVXKDIJSKKRKIT-LLVKDONJSA-N 0 1 211.309 2.341 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](c2cccc(N)c2)C1 ZINC000616644235 411411313 /nfs/dbraw/zinc/41/13/13/411411313.db2.gz ACOFWYTYUQXRSE-CYBMUJFWSA-N 0 1 234.343 2.441 10 0 BEAEMN CCc1noc(CNC2(C3CCC3)CCC2)n1 ZINC000657260736 411432584 /nfs/dbraw/zinc/43/25/84/411432584.db2.gz QMACADHQVCVYRM-UHFFFAOYSA-N 0 1 235.331 2.444 10 0 BEAEMN CC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1C(=O)[O-] ZINC000008698952 170040849 /nfs/dbraw/zinc/04/08/49/170040849.db2.gz JKIOECKVAOTSHL-LLVKDONJSA-N 0 1 239.702 2.171 10 0 BEAEMN CCNCc1csc(CSC)n1 ZINC000054497030 170129857 /nfs/dbraw/zinc/12/98/57/170129857.db2.gz SYPFVBUZJVPUCP-UHFFFAOYSA-N 0 1 202.348 2.116 10 0 BEAEMN CCNCc1nnc(-c2ccc(F)c(F)c2)o1 ZINC000050615542 170131879 /nfs/dbraw/zinc/13/18/79/170131879.db2.gz LWNIILRDPDHHPD-UHFFFAOYSA-N 0 1 239.225 2.124 10 0 BEAEMN CCN[C@@H](CC)c1nnc([C@@H]2CCCCO2)o1 ZINC000061512434 170143759 /nfs/dbraw/zinc/14/37/59/170143759.db2.gz DHFSBQHVOQJIEC-UWVGGRQHSA-N 0 1 239.319 2.372 10 0 BEAEMN CCN[C@@H](c1ccc(OC)cc1)c1cnccn1 ZINC000037536054 170147489 /nfs/dbraw/zinc/14/74/89/170147489.db2.gz ZRENFOFHWDHOFE-AWEZNQCLSA-N 0 1 243.310 2.184 10 0 BEAEMN CCN[C@@H](c1cccs1)c1nccn1C ZINC000037184568 170148381 /nfs/dbraw/zinc/14/83/81/170148381.db2.gz SCZDSZAYTSLZJD-JTQLQIEISA-N 0 1 221.329 2.181 10 0 BEAEMN CCN[C@H](c1cccc(C)c1)c1cnccn1 ZINC000037536039 170164257 /nfs/dbraw/zinc/16/42/57/170164257.db2.gz FWQDFPFYYSNVJD-CQSZACIVSA-N 0 1 227.311 2.484 10 0 BEAEMN CCN[C@@H](c1nccn1C)c1sccc1C ZINC000041048668 170165072 /nfs/dbraw/zinc/16/50/72/170165072.db2.gz FJBWYHUQPABJBO-SNVBAGLBSA-N 0 1 235.356 2.489 10 0 BEAEMN CCN[C@H](c1cccnc1)c1cncc(F)c1 ZINC000049576296 170165112 /nfs/dbraw/zinc/16/51/12/170165112.db2.gz BGCLBHMBCFCICB-CYBMUJFWSA-N 0 1 231.274 2.315 10 0 BEAEMN CCNc1cc(CC)nc(N2CCCC2)n1 ZINC000050851256 170172090 /nfs/dbraw/zinc/17/20/90/170172090.db2.gz BTODSWVPMKHMMU-UHFFFAOYSA-N 0 1 220.320 2.071 10 0 BEAEMN CCNc1cc(CN2CCSCC2)ccn1 ZINC000052709549 170172148 /nfs/dbraw/zinc/17/21/48/170172148.db2.gz KJPAEDVVDMLFRE-UHFFFAOYSA-N 0 1 237.372 2.062 10 0 BEAEMN CCOC(=O)c1nc[nH]c1-c1ccccc1 ZINC000038271958 170307873 /nfs/dbraw/zinc/30/78/73/170307873.db2.gz CUNDMNJBUKQGRM-UHFFFAOYSA-N 0 1 216.240 2.253 10 0 BEAEMN CC[C@@H](NC)c1nnc(-c2ccsc2)o1 ZINC000061512062 170888571 /nfs/dbraw/zinc/88/85/71/170888571.db2.gz NBCGIEJWSQNHEO-MRVPVSSYSA-N 0 1 223.301 2.469 10 0 BEAEMN CC[C@@H]1CN(Cc2ccc(C)c(N)c2)CCO1 ZINC000036770142 171089647 /nfs/dbraw/zinc/08/96/47/171089647.db2.gz ZOSNGFWDUZGYRT-CYBMUJFWSA-N 0 1 234.343 2.188 10 0 BEAEMN CC[C@@H]1CO[C@@H](C)CN1CCC(=O)C(C)(C)C ZINC000054026709 171111112 /nfs/dbraw/zinc/11/11/12/171111112.db2.gz LBKSAAKRHYOKPA-NWDGAFQWSA-N 0 1 241.375 2.491 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2scnc2C)n1 ZINC000041052963 171172021 /nfs/dbraw/zinc/17/20/21/171172021.db2.gz RMTFPDTVKMZGBY-SNVBAGLBSA-N 0 1 238.316 2.085 10 0 BEAEMN CC[C@@](C)(N)c1noc(Cc2ccsc2)n1 ZINC000041052935 171172366 /nfs/dbraw/zinc/17/23/66/171172366.db2.gz LTXAPEDVYNQSQF-LLVKDONJSA-N 0 1 237.328 2.306 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2ncccc2C)n1 ZINC000051813759 171172934 /nfs/dbraw/zinc/17/29/34/171172934.db2.gz IWJDWXVDPVAFLL-GFCCVEGCSA-N 0 1 232.287 2.024 10 0 BEAEMN CC[C@@](C)(O)CN1CCC[C@@H]1c1nccs1 ZINC000372502415 171179181 /nfs/dbraw/zinc/17/91/81/171179181.db2.gz GHIIPXRIYFNDAK-ZYHUDNBSSA-N 0 1 240.372 2.441 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000044621952 171236942 /nfs/dbraw/zinc/23/69/42/171236942.db2.gz MTCJLYAPMGAVHA-GFCCVEGCSA-N 0 1 221.300 2.024 10 0 BEAEMN CC[C@H](C)C[NH2+][C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000054468892 171286999 /nfs/dbraw/zinc/28/69/99/171286999.db2.gz YJRVDILPSSBMRJ-DTWKUNHWSA-N 0 1 237.347 2.083 10 0 BEAEMN CC[C@H](C)N(C)Cc1ncccc1C(=O)OC ZINC000304175968 171310181 /nfs/dbraw/zinc/31/01/81/171310181.db2.gz NMVAHIFNBUSCBR-JTQLQIEISA-N 0 1 236.315 2.099 10 0 BEAEMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])C(C)C)C1 ZINC000036170017 171616963 /nfs/dbraw/zinc/61/69/63/171616963.db2.gz IYVBRDDGKOLLEW-QWRGUYRKSA-N 0 1 213.321 2.218 10 0 BEAEMN CCn1ccnc1NC1(CO)CCCCC1 ZINC000053096573 172228373 /nfs/dbraw/zinc/22/83/73/172228373.db2.gz VPZONYBERZVWLY-UHFFFAOYSA-N 0 1 223.320 2.010 10 0 BEAEMN CCn1ccnc1[C@H](N)c1ccc(F)cc1 ZINC000011735178 172230124 /nfs/dbraw/zinc/23/01/24/172230124.db2.gz UMVLGGRUPVUUOR-LLVKDONJSA-N 0 1 219.263 2.090 10 0 BEAEMN CCn1ccnc1[C@@H](N)c1cccc(C)c1 ZINC000011735121 172230209 /nfs/dbraw/zinc/23/02/09/172230209.db2.gz JZPVQEWNDSFHRT-LBPRGKRZSA-N 0 1 215.300 2.260 10 0 BEAEMN CN(C)C(=O)[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000067172038 172385193 /nfs/dbraw/zinc/38/51/93/172385193.db2.gz MUPYJCIMZRZAOL-GFCCVEGCSA-N 0 1 234.343 2.072 10 0 BEAEMN CN1CCN([C@H]2CCCc3ccc(O)cc32)CC1 ZINC000090505076 173093970 /nfs/dbraw/zinc/09/39/70/173093970.db2.gz VJDPDWMXGFSDAW-HNNXBMFYSA-N 0 1 246.354 2.017 10 0 BEAEMN CN1CC[C@@H](Nc2cc(F)c(F)cc2F)C1 ZINC000061989923 173125563 /nfs/dbraw/zinc/12/55/63/173125563.db2.gz DCBPLICWBZZELS-SSDOTTSWSA-N 0 1 230.233 2.220 10 0 BEAEMN CN1CCc2cccc(Br)c2CC1 ZINC000095742336 173172405 /nfs/dbraw/zinc/17/24/05/173172405.db2.gz CUVOHXQZMSVRNB-UHFFFAOYSA-N 0 1 240.144 2.480 10 0 BEAEMN CNCC(=O)c1cc2cc(C)ccc2o1 ZINC000082914561 173335732 /nfs/dbraw/zinc/33/57/32/173335732.db2.gz SCYUOPDHOPNIIT-UHFFFAOYSA-N 0 1 203.241 2.143 10 0 BEAEMN CNCC(=O)c1cc2cccc(C)c2o1 ZINC000082381170 173336799 /nfs/dbraw/zinc/33/67/99/173336799.db2.gz DNRFYWIKXGWACO-UHFFFAOYSA-N 0 1 203.241 2.143 10 0 BEAEMN CNCc1nc(-c2cc3ccccc3o2)no1 ZINC000062797056 173394604 /nfs/dbraw/zinc/39/46/04/173394604.db2.gz OKTAZEJOFOIKHG-UHFFFAOYSA-N 0 1 229.239 2.202 10 0 BEAEMN CNCc1nc2cccc(Br)c2o1 ZINC000062533330 173396013 /nfs/dbraw/zinc/39/60/13/173396013.db2.gz OHDRFVMCNRZQOJ-UHFFFAOYSA-N 0 1 241.088 2.310 10 0 BEAEMN CNCc1ncc(-c2cccc(C)c2)o1 ZINC000077297272 173397153 /nfs/dbraw/zinc/39/71/53/173397153.db2.gz LAIDOBWNMPDCQG-UHFFFAOYSA-N 0 1 202.257 2.369 10 0 BEAEMN CNCc1ncc(-c2ccc(OC)cc2OC)o1 ZINC000077420117 173397358 /nfs/dbraw/zinc/39/73/58/173397358.db2.gz IAEKATCTLZZVJE-UHFFFAOYSA-N 0 1 248.282 2.078 10 0 BEAEMN CNCc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000050615488 173397780 /nfs/dbraw/zinc/39/77/80/173397780.db2.gz AMMZLUMGSOMFLB-UHFFFAOYSA-N 0 1 217.272 2.073 10 0 BEAEMN COc1ccc(C(=O)[C@@H](N)CC(C)C)cc1F ZINC000036164228 175065290 /nfs/dbraw/zinc/06/52/90/175065290.db2.gz WZGDDZJENYOHCI-NSHDSACASA-N 0 1 239.290 2.390 10 0 BEAEMN COc1ccc([C@H](N)c2cc(C)ccn2)cc1 ZINC000104411141 175192881 /nfs/dbraw/zinc/19/28/81/175192881.db2.gz ASPJOEGORDETAM-AWEZNQCLSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1ccc2c(c1)nc(CN)n2C(C)C ZINC000074297592 175220126 /nfs/dbraw/zinc/22/01/26/175220126.db2.gz OZHVDEPIRNCSCE-UHFFFAOYSA-N 0 1 219.288 2.085 10 0 BEAEMN COc1ccc2cc(CNC3COC3)ccc2c1 ZINC000094710201 175224634 /nfs/dbraw/zinc/22/46/34/175224634.db2.gz SNTFASLJGCMAID-UHFFFAOYSA-N 0 1 243.306 2.337 10 0 BEAEMN COc1ccc2oc([C@H](N)C(C)C)nc2c1 ZINC000075854413 175232451 /nfs/dbraw/zinc/23/24/51/175232451.db2.gz KBHXAWDNSDWYPR-LLVKDONJSA-N 0 1 220.272 2.492 10 0 BEAEMN COc1cccc(N(C)Cc2ccc(CN)o2)c1 ZINC000052516704 175275113 /nfs/dbraw/zinc/27/51/13/175275113.db2.gz FWCJPRIERYJDRY-UHFFFAOYSA-N 0 1 246.310 2.383 10 0 BEAEMN COc1cccc([C@@H]2NCCn3cccc32)c1 ZINC000031889914 175291246 /nfs/dbraw/zinc/29/12/46/175291246.db2.gz APJFDVHUDNKPHD-AWEZNQCLSA-N 0 1 228.295 2.189 10 0 BEAEMN C[C@@H](N)c1noc(-c2ccc3ncccc3c2)n1 ZINC000061418762 175822233 /nfs/dbraw/zinc/82/22/33/175822233.db2.gz VNTMWGDSXCHMEV-MRVPVSSYSA-N 0 1 240.266 2.305 10 0 BEAEMN C[C@@H](NC(=O)C(F)(F)F)c1cccc(O)c1 ZINC000112466949 175825948 /nfs/dbraw/zinc/82/59/48/175825948.db2.gz YDLYSKFIJVNDHN-ZCFIWIBFSA-N 0 1 233.189 2.132 10 0 BEAEMN C[C@@H](OC(=O)[C@@H]1CCCN1)c1ccccc1 ZINC000040430512 176001721 /nfs/dbraw/zinc/00/17/21/176001721.db2.gz AYPYSUHQDDSYHI-PWSUYJOCSA-N 0 1 219.284 2.043 10 0 BEAEMN C[C@@H](c1ccc[nH]1)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000095089101 176017389 /nfs/dbraw/zinc/01/73/89/176017389.db2.gz BHBUOQLEZBJNCL-GXSJLCMTSA-N 0 1 222.288 2.015 10 0 BEAEMN C[C@@H](c1ccccn1)[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006625557 176028370 /nfs/dbraw/zinc/02/83/70/176028370.db2.gz OJFWZXBZSPXWIM-CMPLNLGQSA-N 0 1 234.299 2.082 10 0 BEAEMN C[C@@H]1CCCC[C@]1(N)C(=O)OC(C)(C)C ZINC000041038356 176090461 /nfs/dbraw/zinc/09/04/61/176090461.db2.gz QQMSPLHHUQXYNS-BXKDBHETSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@@H]1C ZINC000134465303 176160649 /nfs/dbraw/zinc/16/06/49/176160649.db2.gz ISGAHTMSIREDOI-GMTAPVOTSA-N 0 1 247.342 2.087 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1CCc1ccccc1 ZINC000120918311 176346745 /nfs/dbraw/zinc/34/67/45/176346745.db2.gz KJTUVJMVEZQKJO-CHWSQXEVSA-N 0 1 219.328 2.338 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1CC[C@@H](O)c1ccccc1 ZINC000286640530 176347296 /nfs/dbraw/zinc/34/72/96/176347296.db2.gz ZVTIDFMWJBKAJM-UMVBOHGHSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@H]1CCCC[C@@]1(N)C(=O)OC(C)(C)C ZINC000041038359 177084957 /nfs/dbraw/zinc/08/49/57/177084957.db2.gz QQMSPLHHUQXYNS-CABZTGNLSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@@H]1[C@@H](C)CCCN1Cc1csc(N)n1 ZINC000050564947 177102347 /nfs/dbraw/zinc/10/23/47/177102347.db2.gz LDYKBMJTMRRBSP-DTWKUNHWSA-N 0 1 225.361 2.346 10 0 BEAEMN C[C@H]1CCC[C@@](N)(C(=O)OC(C)(C)C)C1 ZINC000041036803 177127854 /nfs/dbraw/zinc/12/78/54/177127854.db2.gz JXVAXIFUJGXWIA-CABZTGNLSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@H]1CC[N@@H+](CC2(C(=O)[O-])CCCCC2)C1 ZINC000051288758 177158713 /nfs/dbraw/zinc/15/87/13/177158713.db2.gz PQFVYZKRZHAYJW-NSHDSACASA-N 0 1 225.332 2.363 10 0 BEAEMN C[C@H]1CN(CC(=O)c2ccccc2)C[C@@H]1C ZINC000039109878 177244922 /nfs/dbraw/zinc/24/49/22/177244922.db2.gz GRSOHFFQZNBUTE-RYUDHWBXSA-N 0 1 217.312 2.457 10 0 BEAEMN C[C@@H]1CCC(=O)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000053925113 177257833 /nfs/dbraw/zinc/25/78/33/177257833.db2.gz OEZTUDVIXGAWGE-NDBYEHHHSA-N 0 1 239.359 2.101 10 0 BEAEMN C[C@H]1CN(C[C@H]2Cc3ccccc32)CCC1=O ZINC000251861444 177259758 /nfs/dbraw/zinc/25/97/58/177259758.db2.gz SNAVTYDAIZRQPY-WCQYABFASA-N 0 1 229.323 2.237 10 0 BEAEMN C[C@H]1CN(Cc2cccc(O)c2)CCS1 ZINC000131402699 177265519 /nfs/dbraw/zinc/26/55/19/177265519.db2.gz QPBCNSATNUWVRX-JTQLQIEISA-N 0 1 223.341 2.330 10 0 BEAEMN C[C@H]1CN(Cc2ccncc2)CCS1 ZINC000130374261 177268453 /nfs/dbraw/zinc/26/84/53/177268453.db2.gz KSBGZSFCIVHOQB-JTQLQIEISA-N 0 1 208.330 2.019 10 0 BEAEMN C[C@@H](CNc1ccccc1)N1CCO[C@@H](C)C1 ZINC000053486703 177273487 /nfs/dbraw/zinc/27/34/87/177273487.db2.gz JVJIYMDIGGEDRJ-STQMWFEESA-N 0 1 234.343 2.208 10 0 BEAEMN C[C@@H](NC1=N[C@@H](C)CS1)c1ccco1 ZINC000035739653 177302983 /nfs/dbraw/zinc/30/29/83/177302983.db2.gz PMNILDFQAOZPHW-JGVFFNPUSA-N 0 1 210.302 2.422 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000306853596 487657658 /nfs/dbraw/zinc/65/76/58/487657658.db2.gz UCQJCGMRUHELRL-GARJFASQSA-N 0 1 213.321 2.074 10 0 BEAEMN CC[C@@H](N[C@@H]1CCC[C@H]1O)c1nccs1 ZINC000226268172 487694787 /nfs/dbraw/zinc/69/47/87/487694787.db2.gz HTUQMEFOXRLHQE-OPRDCNLKSA-N 0 1 226.345 2.097 10 0 BEAEMN O=C1[C@@H]2CCCC2=NN1c1ccc(F)cc1 ZINC000104707255 487712876 /nfs/dbraw/zinc/71/28/76/487712876.db2.gz IPSHRTUJXDCZNI-SNVBAGLBSA-N 0 1 218.231 2.328 10 0 BEAEMN O=c1c2c([nH]n1-c1ccc(F)cc1)CCC2 ZINC000104707255 487712887 /nfs/dbraw/zinc/71/28/87/487712887.db2.gz IPSHRTUJXDCZNI-SNVBAGLBSA-N 0 1 218.231 2.328 10 0 BEAEMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000250786316 487740379 /nfs/dbraw/zinc/74/03/79/487740379.db2.gz GEUCHVILYKGIGH-DOMZBBRYSA-N 0 1 245.322 2.265 10 0 BEAEMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000250858828 487742028 /nfs/dbraw/zinc/74/20/28/487742028.db2.gz RHTFBPXWVLVNAL-OLZOCXBDSA-N 0 1 245.322 2.265 10 0 BEAEMN C[C@H]([N@@H+](C)Cc1ncccc1C(=O)[O-])C1(C)CC1 ZINC000385254702 487777202 /nfs/dbraw/zinc/77/72/02/487777202.db2.gz PMKHKBPXUWNRQX-JTQLQIEISA-N 0 1 248.326 2.400 10 0 BEAEMN CCC[C@H](C)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304146145 487873252 /nfs/dbraw/zinc/87/32/52/487873252.db2.gz AFCCTKMMJKKRKO-JTQLQIEISA-N 0 1 236.315 2.400 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000083407067 487907288 /nfs/dbraw/zinc/90/72/88/487907288.db2.gz FNULAZXOGDXQNQ-GHMZBOCLSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1nc(CN2C[C@H](O)CC[C@@H]2C)sc1C ZINC000399244902 323201586 /nfs/dbraw/zinc/20/15/86/323201586.db2.gz NGFHETBMUMBLGN-GZMMTYOYSA-N 0 1 240.372 2.105 10 0 BEAEMN COC(=O)c1c(C(C)C)n[nH]c1C(F)(F)F ZINC000409441898 488047161 /nfs/dbraw/zinc/04/71/61/488047161.db2.gz UNTRWVASBCNJKQ-UHFFFAOYSA-N 0 1 236.193 2.339 10 0 BEAEMN C[C@H]1CCC[C@H](C)[NH+]1Cc1nc(C(=O)[O-])co1 ZINC000387040635 487905998 /nfs/dbraw/zinc/90/59/98/487905998.db2.gz USAOQURATJUSOT-IUCAKERBSA-N 0 1 238.287 2.136 10 0 BEAEMN CC[C@]1(C)CC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000399281570 488228642 /nfs/dbraw/zinc/22/86/42/488228642.db2.gz BJUQHVPHPJSPHD-CQSZACIVSA-N 0 1 248.326 2.402 10 0 BEAEMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000227467711 490184779 /nfs/dbraw/zinc/18/47/79/490184779.db2.gz RHTFBPXWVLVNAL-STQMWFEESA-N 0 1 245.322 2.265 10 0 BEAEMN Cc1cnc([C@H](C)N[C@H]2CCCOC2)s1 ZINC000125269070 490425814 /nfs/dbraw/zinc/42/58/14/490425814.db2.gz KLIXCYGGAOYKLW-UWVGGRQHSA-N 0 1 226.345 2.281 10 0 BEAEMN CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309426253 491149105 /nfs/dbraw/zinc/14/91/05/491149105.db2.gz FHRHNPWWNVNHDG-MWLCHTKSSA-N 0 1 242.750 2.363 10 0 BEAEMN CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309426251 491149114 /nfs/dbraw/zinc/14/91/14/491149114.db2.gz FHRHNPWWNVNHDG-KOLCDFICSA-N 0 1 242.750 2.363 10 0 BEAEMN CC(C)c1ncc(N2CCCCC2)c(CN)n1 ZINC000051396462 534898875 /nfs/dbraw/zinc/89/88/75/534898875.db2.gz DDOJSDFLPRGCRW-UHFFFAOYSA-N 0 1 234.347 2.049 10 0 BEAEMN CCCN1CCN(c2ccc(C=O)c(C)c2)CC1 ZINC000050569403 534932378 /nfs/dbraw/zinc/93/23/78/534932378.db2.gz CSGVCSYZPLNGJZ-UHFFFAOYSA-N 0 1 246.354 2.340 10 0 BEAEMN CC(C)N(Cc1nnc(C2CC2)n1C)C(C)C ZINC000180455003 535122676 /nfs/dbraw/zinc/12/26/76/535122676.db2.gz ZHJOUFHXFQMDQZ-UHFFFAOYSA-N 0 1 236.363 2.311 10 0 BEAEMN CCOCCCN[C@H](C)c1ncc(C)o1 ZINC000220883225 535552099 /nfs/dbraw/zinc/55/20/99/535552099.db2.gz BGOYOGMXORZZEP-SNVBAGLBSA-N 0 1 212.293 2.060 10 0 BEAEMN CC(C)(C)OC(=O)c1cc2c(s1)CNC2 ZINC000669381467 566425206 /nfs/dbraw/zinc/42/52/06/566425206.db2.gz KJYQWBIEGZNYGJ-UHFFFAOYSA-N 0 1 225.313 2.307 10 0 BEAEMN CC(C(=O)C(F)(F)F)=C(O)C(C)(C)C ZINC000395458622 583058697 /nfs/dbraw/zinc/05/86/97/583058697.db2.gz KJAWXUIOQWYRBO-YFKPBYRVSA-N 0 1 210.195 2.369 10 0 BEAEMN c1ccc([C@@H]2CCO[C@@]3(CCCOC3)N2)cc1 ZINC000757143285 582523478 /nfs/dbraw/zinc/52/34/78/582523478.db2.gz VUORFAGZNIMXQU-UONOGXRCSA-N 0 1 233.311 2.244 10 0 BEAEMN C[C@@H]1CC(C)(C)C[C@@]2(C1)NC1(COC1)CCO2 ZINC000757145350 582527502 /nfs/dbraw/zinc/52/75/02/582527502.db2.gz IILYLCOBYVLYNI-RISCZKNCSA-N 0 1 239.359 2.308 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](c1ccncc1)CC2 ZINC000236044868 582637198 /nfs/dbraw/zinc/63/71/98/582637198.db2.gz LBIGCMRGDZSITF-LLVKDONJSA-N 0 1 214.272 2.143 10 0 BEAEMN Fc1ccc([C@@H]2CCNc3nccn32)cc1 ZINC000236207929 582641070 /nfs/dbraw/zinc/64/10/70/582641070.db2.gz CMWLZCGTWUCOET-NSHDSACASA-N 0 1 217.247 2.427 10 0 BEAEMN O=C([O-])c1cc(Cl)cc(C[NH+]2CCC2)c1 ZINC000669379695 583949169 /nfs/dbraw/zinc/94/91/69/583949169.db2.gz JWMHODFCABKNAC-UHFFFAOYSA-N 0 1 225.675 2.244 10 0 BEAEMN CN1CCC[C@@H]1C(=O)c1c[nH]c2ccc(N)cc12 ZINC000757176158 586433625 /nfs/dbraw/zinc/43/36/25/586433625.db2.gz CCXZOEWUVRMDAQ-CYBMUJFWSA-N 0 1 243.310 2.027 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2cc(C)cc(C)c2)C1 ZINC000757185880 586433909 /nfs/dbraw/zinc/43/39/09/586433909.db2.gz DFPVVCGUNFBXKG-KGLIPLIRSA-N 0 1 247.338 2.423 10 0 BEAEMN CCc1ccc([C@H]2C[N@@H+](CC)C[C@H]2C(=O)[O-])cc1 ZINC000757187519 586434500 /nfs/dbraw/zinc/43/45/00/586434500.db2.gz GRUGFSGWMKGAOU-ZIAGYGMSSA-N 0 1 247.338 2.369 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2cccc(C)c2)[C@H](C(=O)[O-])C1 ZINC000757186282 586434666 /nfs/dbraw/zinc/43/46/66/586434666.db2.gz GALFQMKOWLYPAI-QWHCGFSZSA-N 0 1 233.311 2.115 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(C)cc2C)C1 ZINC000757189048 586435099 /nfs/dbraw/zinc/43/50/99/586435099.db2.gz IXTARTWRGPZKOI-KGLIPLIRSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2C)C1 ZINC000757189016 586435216 /nfs/dbraw/zinc/43/52/16/586435216.db2.gz IXEDRNZXUWECHQ-STQMWFEESA-N 0 1 233.311 2.115 10 0 BEAEMN Cc1cccc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1C ZINC000757192405 586435823 /nfs/dbraw/zinc/43/58/23/586435823.db2.gz OJPDHQQLFMAREL-STQMWFEESA-N 0 1 233.311 2.033 10 0 BEAEMN Cc1cccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1C ZINC000757192403 586435843 /nfs/dbraw/zinc/43/58/43/586435843.db2.gz OJPDHQQLFMAREL-OLZOCXBDSA-N 0 1 233.311 2.033 10 0 BEAEMN CC(C)[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000757193929 586436246 /nfs/dbraw/zinc/43/62/46/586436246.db2.gz WYOBYKMACIDBNI-STQMWFEESA-N 0 1 233.311 2.195 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C)cc2)C1 ZINC000757193675 586436568 /nfs/dbraw/zinc/43/65/68/586436568.db2.gz UGCFXVSZZYCOQK-CHWSQXEVSA-N 0 1 233.311 2.115 10 0 BEAEMN CCOc1cccc(-c2nc[nH]n2)c1F ZINC000757567498 586462122 /nfs/dbraw/zinc/46/21/22/586462122.db2.gz UINNQCSPRQJOID-UHFFFAOYSA-N 0 1 207.208 2.010 10 0 BEAEMN Cc1ccc(-c2nccc(N)c2N)c(F)c1 ZINC000757571397 586462665 /nfs/dbraw/zinc/46/26/65/586462665.db2.gz KFPZONYVLOOVBU-UHFFFAOYSA-N 0 1 217.247 2.361 10 0 BEAEMN Cc1cc(CNCCSC(F)(F)F)on1 ZINC000123354265 589691021 /nfs/dbraw/zinc/69/10/21/589691021.db2.gz PQTPMDHIHAHIEW-UHFFFAOYSA-N 0 1 240.250 2.326 10 0 BEAEMN C[C@H](NC/C(Cl)=C\Cl)[C@@H]1CCCO1 ZINC000211202906 591148253 /nfs/dbraw/zinc/14/82/53/591148253.db2.gz LHVWOXJCMXPLQV-IFPZVHCUSA-N 0 1 224.131 2.463 10 0 BEAEMN CN[C@H](C)c1nc(-c2ccc(Cl)o2)no1 ZINC000258068669 634561295 /nfs/dbraw/zinc/56/12/95/634561295.db2.gz QGPXCRBNLCJXPQ-RXMQYKEDSA-N 0 1 227.651 2.263 10 0 BEAEMN CC(C)N1CCN(CCC(=O)C(C)(C)C)CC1 ZINC000054026468 635327609 /nfs/dbraw/zinc/32/76/09/635327609.db2.gz UFQNJDWRCNCNAV-UHFFFAOYSA-N 0 1 240.391 2.018 10 0 BEAEMN Cc1ccc([C@@H]2C[N@@H+](C)C[C@H]2C(=O)[O-])cc1C ZINC000251147760 635527542 /nfs/dbraw/zinc/52/75/42/635527542.db2.gz BAPLKOOJUQCAQN-QWHCGFSZSA-N 0 1 233.311 2.033 10 0 BEAEMN C[C@@H]1[C@@H](C)CCCN1Cc1nc(CO)cs1 ZINC000669379640 636576186 /nfs/dbraw/zinc/57/61/86/636576186.db2.gz GOXCLCNSJCBBIA-VHSXEESVSA-N 0 1 240.372 2.256 10 0 BEAEMN C[C@@H]1CCCN(Cc2nc(CO)cs2)[C@H]1C ZINC000669379641 636576336 /nfs/dbraw/zinc/57/63/36/636576336.db2.gz GOXCLCNSJCBBIA-ZJUUUORDSA-N 0 1 240.372 2.256 10 0 BEAEMN C[C@@H](NCc1cncnc1)c1ccsc1 ZINC000061361762 640956386 /nfs/dbraw/zinc/95/63/86/640956386.db2.gz YNINWLQMKRFSCC-SECBINFHSA-N 0 1 219.313 2.389 10 0 BEAEMN C[C@@H](C(N)=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062017011 641193887 /nfs/dbraw/zinc/19/38/87/641193887.db2.gz LTXQPVHWEQKVQY-IUCAKERBSA-N 0 1 240.734 2.207 10 0 BEAEMN c1cc2c(s1)[C@H](c1ccccn1)NCC2 ZINC000084483329 641359287 /nfs/dbraw/zinc/35/92/87/641359287.db2.gz IWZXWOZLIZBWKD-NSHDSACASA-N 0 1 216.309 2.378 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1ncc(Cl)n1C ZINC000233416948 642670759 /nfs/dbraw/zinc/67/07/59/642670759.db2.gz SERPZODMCRUMHD-IUCAKERBSA-N 0 1 227.739 2.352 10 0 BEAEMN Cc1ccc(C)c([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991896 642933240 /nfs/dbraw/zinc/93/32/40/642933240.db2.gz GYHNUILEPMUMHN-STQMWFEESA-N 0 1 233.311 2.033 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](C(F)(F)F)C[C@@H]2C ZINC000235591364 643441524 /nfs/dbraw/zinc/44/15/24/643441524.db2.gz WJQPHLOVNIYWCX-NKWVEPMBSA-N 0 1 219.210 2.499 10 0 BEAEMN CC(C)(C)Cc1ncc(Br)c(=O)[nH]1 ZINC000085449511 643751939 /nfs/dbraw/zinc/75/19/39/643751939.db2.gz QZOCBZPRTWASQY-UHFFFAOYSA-N 0 1 245.120 2.121 10 0 BEAEMN CN[C@H](C)c1nc(-c2cscc2C)no1 ZINC000087287769 644487517 /nfs/dbraw/zinc/48/75/17/644487517.db2.gz BJALPDYTMSYMFL-SSDOTTSWSA-N 0 1 223.301 2.387 10 0 BEAEMN COC(=O)C[C@H](N)c1c(F)ccc(F)c1Cl ZINC000095638494 644761580 /nfs/dbraw/zinc/76/15/80/644761580.db2.gz BLTJSGRXKYESHT-ZETCQYMHSA-N 0 1 249.644 2.181 10 0 BEAEMN OC[C@H](NC/C=C\Cl)c1ccccc1 ZINC000308413976 711526172 /nfs/dbraw/zinc/52/61/72/711526172.db2.gz NFLJGOKHJJSPBH-IBHLPDHGSA-N 0 1 211.692 2.062 10 0 BEAEMN C[C@@H](NCc1scnc1Cl)[C@@H]1CCCO1 ZINC000713445950 711490034 /nfs/dbraw/zinc/49/00/34/711490034.db2.gz AOIXCWXVZPPJPB-SFYZADRCSA-N 0 1 246.763 2.454 10 0 BEAEMN Cc1cc(=O)[n-]c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000700463066 711996302 /nfs/dbraw/zinc/99/63/02/711996302.db2.gz RIQKXSQVBYTFLG-CKYFFXLPSA-N 0 1 249.358 2.405 10 0 BEAEMN C[N@@H+](CCC(=O)[O-])[C@H]1CCc2c1cccc2F ZINC000126679979 1165783840 /nfs/dbraw/zinc/78/38/40/1165783840.db2.gz TXCUQXLBSMQRRP-LBPRGKRZSA-N 0 1 237.274 2.220 10 0 BEAEMN O=C([O-])c1csc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000711432620 977547719 /nfs/dbraw/zinc/54/77/19/977547719.db2.gz ZLKQYMKBJMEMDN-XCBNKYQSSA-N 0 1 223.297 2.041 10 0 BEAEMN CC(C)SCC[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000710527947 955028376 /nfs/dbraw/zinc/02/83/76/955028376.db2.gz PRZLKEVGJYZNHC-WDEREUQCSA-N 0 1 245.388 2.171 10 0 BEAEMN CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000710540889 955030238 /nfs/dbraw/zinc/03/02/38/955030238.db2.gz XWDYUNVRQKJVGG-VWYCJHECSA-N 0 1 213.321 2.218 10 0 BEAEMN O=C([O-])CCCCn1cc[nH+]c1C1CC1 ZINC000704185733 969003791 /nfs/dbraw/zinc/00/37/91/969003791.db2.gz QSXHSFAZQKWBNT-UHFFFAOYSA-N 0 1 208.261 2.015 10 0 BEAEMN Cc1coc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000718074698 969099164 /nfs/dbraw/zinc/09/91/64/969099164.db2.gz YMFQZPWTSSPKAQ-KOLCDFICSA-N 0 1 237.299 2.131 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689377166 976252706 /nfs/dbraw/zinc/25/27/06/976252706.db2.gz QROIQZOHWOCWHW-BRNRAETOSA-N 0 1 229.295 2.089 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000689419874 976254569 /nfs/dbraw/zinc/25/45/69/976254569.db2.gz AXCMFQQNAOOUKG-GFCCVEGCSA-N 0 1 237.274 2.319 10 0 BEAEMN CC(C)C[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000691547782 976365676 /nfs/dbraw/zinc/36/56/76/976365676.db2.gz MXNSKWYYSHVSNT-NSHDSACASA-N 0 1 225.332 2.362 10 0 BEAEMN Cc1[nH+]c(NCCc2ccoc2)ccc1C(=O)[O-] ZINC000692708122 976538709 /nfs/dbraw/zinc/53/87/09/976538709.db2.gz ZLRZFRPTZXTGOT-UHFFFAOYSA-N 0 1 246.266 2.336 10 0 BEAEMN O=C([O-])c1cc[nH+]c(NC[C@]23C[C@H]2CCC3)c1 ZINC000693521636 976641222 /nfs/dbraw/zinc/64/12/22/976641222.db2.gz ZRVBFIULTBURKX-MFKMUULPSA-N 0 1 232.283 2.382 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCSC[C@@H](C)C1 ZINC000695164968 976785661 /nfs/dbraw/zinc/78/56/61/976785661.db2.gz FDLFPBKZMDEWNA-QWRGUYRKSA-N 0 1 245.388 2.171 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCSC[C@H](C)C1 ZINC000695164965 976785436 /nfs/dbraw/zinc/78/54/36/976785436.db2.gz FDLFPBKZMDEWNA-MNOVXSKESA-N 0 1 245.388 2.171 10 0 BEAEMN CC[N@@H+](CC[C@H]1CCCCO1)C(C)(C)C(=O)[O-] ZINC000699665087 976926933 /nfs/dbraw/zinc/92/69/33/976926933.db2.gz WNAYWLQSQJDPNX-LLVKDONJSA-N 0 1 243.347 2.131 10 0 BEAEMN O=C([O-])CC1(C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000702577291 977093578 /nfs/dbraw/zinc/09/35/78/977093578.db2.gz XOLHIUYCBXTBKJ-UHFFFAOYSA-N 0 1 223.316 2.117 10 0 BEAEMN CCCCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000702744381 977118327 /nfs/dbraw/zinc/11/83/27/977118327.db2.gz XPDPPMOUGXZSQG-YPMHNXCESA-N 0 1 243.347 2.131 10 0 BEAEMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000706323492 977313277 /nfs/dbraw/zinc/31/32/77/977313277.db2.gz CLFMPFDAGQQYOI-DTWKUNHWSA-N 0 1 235.274 2.217 10 0 BEAEMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1(C)CC1 ZINC000706570017 977354833 /nfs/dbraw/zinc/35/48/33/977354833.db2.gz RXWIVIBZFCFFIA-MRVPVSSYSA-N 0 1 220.272 2.380 10 0 BEAEMN Cc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)oc1C(=O)[O-] ZINC000706912047 977367838 /nfs/dbraw/zinc/36/78/38/977367838.db2.gz CYKFINDLRMNMHI-DTWKUNHWSA-N 0 1 223.272 2.126 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])[C@H]1C ZINC000706915298 977368894 /nfs/dbraw/zinc/36/88/94/977368894.db2.gz MWTZLBWDCFNSNE-SFYZADRCSA-N 0 1 225.313 2.287 10 0 BEAEMN C/C(=C\C[N@H+]1CCC12CCCC2)C(=O)[O-] ZINC000707307895 977383122 /nfs/dbraw/zinc/38/31/22/977383122.db2.gz UPRKBYLFAJGSFG-ONNFQVAWSA-N 0 1 209.289 2.036 10 0 BEAEMN C[C@H]1C[N@@H+](CCCC2CC2)C[C@]1(C)C(=O)[O-] ZINC000710141252 977485235 /nfs/dbraw/zinc/48/52/35/977485235.db2.gz ZMPHIBMMWVSTHS-GWCFXTLKSA-N 0 1 225.332 2.219 10 0 BEAEMN Cc1occc1C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710320796 977503084 /nfs/dbraw/zinc/50/30/84/977503084.db2.gz YUEOXXOHVJSYGB-ZANVPECISA-N 0 1 237.299 2.131 10 0 BEAEMN O=C([O-])c1ccc(F)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000711059890 977528548 /nfs/dbraw/zinc/52/85/48/977528548.db2.gz MCWPYQOABXVWSL-ONGXEEELSA-N 0 1 249.285 2.366 10 0 BEAEMN CC(C)CC[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711661503 977565295 /nfs/dbraw/zinc/56/52/95/977565295.db2.gz DNGFEMKVDLQSNL-YPMHNXCESA-N 0 1 225.332 2.362 10 0 BEAEMN C=C/C=C\CC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000713714610 977658294 /nfs/dbraw/zinc/65/82/94/977658294.db2.gz BHLSNRRYWDIMPT-DSAOOCMMSA-N 0 1 223.316 2.161 10 0 BEAEMN Cc1cn(Cc2ccc(C(=O)[O-])s2)c(C)[nH+]1 ZINC000714416659 977672285 /nfs/dbraw/zinc/67/22/85/977672285.db2.gz WZKWJGFKGQXXTQ-UHFFFAOYSA-N 0 1 236.296 2.308 10 0 BEAEMN C[N@@H+](Cc1cc(C(=O)[O-])no1)C1(C)CCCC1 ZINC000720341123 978028292 /nfs/dbraw/zinc/02/82/92/978028292.db2.gz LZTQLPWDFJYWSK-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN O=C([O-])c1cc[nH+]c(N[C@@H]2CC23CCC3)c1 ZINC000721270108 978097654 /nfs/dbraw/zinc/09/76/54/978097654.db2.gz AMMVLRCEKZGVCL-SECBINFHSA-N 0 1 218.256 2.134 10 0 BEAEMN C[C@H]1CCC[C@H](OCC(F)(F)CN)C1 ZINC000685955976 538901591 /nfs/dbraw/zinc/90/15/91/538901591.db2.gz GYWZISFJWOAKAR-IUCAKERBSA-N 0 1 207.264 2.176 10 0 BEAEMN CC[C@H](OCC(F)(F)CN)C1CCC1 ZINC000685955912 538901727 /nfs/dbraw/zinc/90/17/27/538901727.db2.gz SSBLIRZQMKRGBB-VIFPVBQESA-N 0 1 207.264 2.176 10 0 BEAEMN C[C@@H]1CCC[C@@H](OCC(F)(F)CN)C1 ZINC000685955977 538901798 /nfs/dbraw/zinc/90/17/98/538901798.db2.gz GYWZISFJWOAKAR-RKDXNWHRSA-N 0 1 207.264 2.176 10 0 BEAEMN NCC(F)(F)COC1CCCCCC1 ZINC000685956082 538902329 /nfs/dbraw/zinc/90/23/29/538902329.db2.gz MNZFJFSHBHSIKW-UHFFFAOYSA-N 0 1 207.264 2.320 10 0 BEAEMN CC(C)C(=O)[C@@H](N)[C@H](C)OCc1ccccc1 ZINC000685961076 538908049 /nfs/dbraw/zinc/90/80/49/538908049.db2.gz BIABTUZMCIHKNJ-AAEUAGOBSA-N 0 1 235.327 2.144 10 0 BEAEMN CC[C@@H](C)n1cc2c(n1)[C@@H](C)NC(=S)O2 ZINC000685965943 538910982 /nfs/dbraw/zinc/91/09/82/538910982.db2.gz ZWVALEULAZFPCY-RNFRBKRXSA-N 0 1 225.317 2.182 10 0 BEAEMN CCCCn1cc2c(n1)[C@@H](C)NC(=S)O2 ZINC000685965829 538912409 /nfs/dbraw/zinc/91/24/09/538912409.db2.gz VDRDDWIZKXJOJJ-SSDOTTSWSA-N 0 1 225.317 2.011 10 0 BEAEMN Cc1csc(C[C@H](N)c2ccco2)n1 ZINC000036281322 343977431 /nfs/dbraw/zinc/97/74/31/343977431.db2.gz KRHJCLKQKVRQRH-QMMMGPOBSA-N 0 1 208.286 2.287 10 0 BEAEMN Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1N ZINC000020071820 178007136 /nfs/dbraw/zinc/00/71/36/178007136.db2.gz CCZRSFOJHBJTGY-TXEJJXNPSA-N 0 1 234.343 2.186 10 0 BEAEMN Cc1cc(CNC2COC2)ccc1Cl ZINC000287543992 178019045 /nfs/dbraw/zinc/01/90/45/178019045.db2.gz FETVWSXSSHKEPL-UHFFFAOYSA-N 0 1 211.692 2.137 10 0 BEAEMN Cc1cc(CNCc2cn[nH]c2)c(C)s1 ZINC000049686927 178026556 /nfs/dbraw/zinc/02/65/56/178026556.db2.gz MQNFCVMTMTZADS-UHFFFAOYSA-N 0 1 221.329 2.378 10 0 BEAEMN COc1csc([C@@H](N)c2ccc[nH]2)c1 ZINC000306815641 398205850 /nfs/dbraw/zinc/20/58/50/398205850.db2.gz CWKVNIKBFICTTK-JTQLQIEISA-N 0 1 208.286 2.133 10 0 BEAEMN Cc1ccc(-c2ccc(NN)nn2)c(C)c1 ZINC000011567891 178325495 /nfs/dbraw/zinc/32/54/95/178325495.db2.gz ZXPAEIGBKYCEJY-UHFFFAOYSA-N 0 1 214.272 2.046 10 0 BEAEMN CCOC(=O)[C@H](C)N(C)CC1CCSCC1 ZINC000602467364 349539995 /nfs/dbraw/zinc/53/99/95/349539995.db2.gz IPVBSASBKATOQK-JTQLQIEISA-N 0 1 245.388 2.013 10 0 BEAEMN CC(C)(C)ON=C(N)NCc1ccccc1 ZINC000306655641 361862193 /nfs/dbraw/zinc/86/21/93/361862193.db2.gz YOJTWVYZFSJANC-UHFFFAOYSA-N 0 1 221.304 2.031 10 0 BEAEMN C[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000003638697 342735563 /nfs/dbraw/zinc/73/55/63/342735563.db2.gz GKNNRYJKHVPYCJ-CYBMUJFWSA-N 0 1 233.311 2.072 10 0 BEAEMN CCc1c(O)c2cccc(C)c2[nH]c1=O ZINC000003944998 342739735 /nfs/dbraw/zinc/73/97/35/342739735.db2.gz APBVXIZMYHJBKW-UHFFFAOYSA-N 0 1 203.241 2.105 10 0 BEAEMN O=C([O-])[C@H]1CC[N@H+]1[C@@H](c1ccccc1)C1CC1 ZINC000006475773 342778209 /nfs/dbraw/zinc/77/82/09/342778209.db2.gz IGZBEONIJJAHDG-OLZOCXBDSA-N 0 1 231.295 2.297 10 0 BEAEMN O=C([O-])C[N@@H+](CCCc1ccccc1)CC1CC1 ZINC000036886018 398296362 /nfs/dbraw/zinc/29/63/62/398296362.db2.gz UUQPMVQIVJFUTD-UHFFFAOYSA-N 0 1 247.338 2.416 10 0 BEAEMN C=CCC[N@@H+]1CCC[C@@H](CC(=O)[O-])CC1 ZINC000390206248 398337990 /nfs/dbraw/zinc/33/79/90/398337990.db2.gz SLVPQTRVYVDQKZ-LLVKDONJSA-N 0 1 211.305 2.139 10 0 BEAEMN CCOC(=O)c1cc(=O)c2ccc(C)cc2[nH]1 ZINC000012505467 343056593 /nfs/dbraw/zinc/05/65/93/343056593.db2.gz BSWWVZGLJRPUCK-UHFFFAOYSA-N 0 1 231.251 2.013 10 0 BEAEMN Cc1cccc(NCC[C@@H]2CCCO2)n1 ZINC000038097439 343063098 /nfs/dbraw/zinc/06/30/98/343063098.db2.gz JDVXCFNNIHYDQV-NSHDSACASA-N 0 1 206.289 2.371 10 0 BEAEMN CCc1nc(N)nc(N)c1-c1ccc(C)cc1 ZINC000013472712 343089270 /nfs/dbraw/zinc/08/92/70/343089270.db2.gz BGGIEUCLTOKUIN-UHFFFAOYSA-N 0 1 228.299 2.179 10 0 BEAEMN CC(C)(N)C(=O)c1cccc(Br)c1 ZINC000071551237 362009446 /nfs/dbraw/zinc/00/94/46/362009446.db2.gz APRIUVFFOCTLOT-UHFFFAOYSA-N 0 1 242.116 2.369 10 0 BEAEMN Cc1cccc(C)c1CN1CC(O)(C2CC2)C1 ZINC000215714401 136277778 /nfs/dbraw/zinc/27/77/78/136277778.db2.gz JVFWWKYYNFLJTD-UHFFFAOYSA-N 0 1 231.339 2.260 10 0 BEAEMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1cccs1 ZINC000035141821 343286877 /nfs/dbraw/zinc/28/68/77/343286877.db2.gz XOPRZLZPJCEUNG-ZJUUUORDSA-N 0 1 240.372 2.313 10 0 BEAEMN O=C(c1[nH]nc2ccccc21)N1C[C@H]2CCC[C@@H]21 ZINC000349350921 136342836 /nfs/dbraw/zinc/34/28/36/136342836.db2.gz PPASWMJMUHJBQZ-SKDRFNHKSA-N 0 1 241.294 2.187 10 0 BEAEMN Cc1nccnc1[C@H]1NCCc2ccsc21 ZINC000712521671 537789828 /nfs/dbraw/zinc/78/98/28/537789828.db2.gz BXYFTBZOFOFLQW-LLVKDONJSA-N 0 1 231.324 2.082 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H]1c1cccc(Cl)c1 ZINC000212890964 343792196 /nfs/dbraw/zinc/79/21/96/343792196.db2.gz WKLWDSQICCQFGI-GXSJLCMTSA-N 0 1 239.702 2.417 10 0 BEAEMN COC(=O)CCc1c(C)n[nH]c1C1CCCC1 ZINC000409440992 343854496 /nfs/dbraw/zinc/85/44/96/343854496.db2.gz OXWXUDVNVVAIBB-UHFFFAOYSA-N 0 1 236.315 2.481 10 0 BEAEMN C[N@H+]1C[C@H](CO)C[C@H]1c1ccc(Cl)cc1 ZINC000409437631 343843060 /nfs/dbraw/zinc/84/30/60/343843060.db2.gz AKWHEZZITCJFAD-SKDRFNHKSA-N 0 1 225.719 2.325 10 0 BEAEMN N=C(NO)C1(n2cccc2)CCCCC1 ZINC000409442564 343859028 /nfs/dbraw/zinc/85/90/28/343859028.db2.gz XANPPSNDZADIRT-UHFFFAOYSA-N 0 1 207.277 2.104 10 0 BEAEMN CN(C)NC1=NC=C(c2ccccc2)CS1 ZINC000072417649 343958969 /nfs/dbraw/zinc/95/89/69/343958969.db2.gz ARBASCXIFIUHIJ-UHFFFAOYSA-N 0 1 233.340 2.197 10 0 BEAEMN Fc1ccc(Br)c2c1OCCNC2 ZINC000126746929 344085009 /nfs/dbraw/zinc/08/50/09/344085009.db2.gz LCIIAXZAFZFGSV-UHFFFAOYSA-N 0 1 246.079 2.070 10 0 BEAEMN Cc1nc2c([nH]1)C[C@H](C(F)(F)F)CC2 ZINC000216980014 344353816 /nfs/dbraw/zinc/35/38/16/344353816.db2.gz RAMWNNPWLYDBDE-ZCFIWIBFSA-N 0 1 204.195 2.385 10 0 BEAEMN Cc1nc2c([nH]1)CC[C@@H](C(F)(F)F)C2 ZINC000216980014 344353818 /nfs/dbraw/zinc/35/38/18/344353818.db2.gz RAMWNNPWLYDBDE-ZCFIWIBFSA-N 0 1 204.195 2.385 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCCC[C@@]1(C)C(=O)[O-] ZINC000127670089 344594533 /nfs/dbraw/zinc/59/45/33/344594533.db2.gz HCRYOTRSVIMTMT-JQWIXIFHSA-N 0 1 213.321 2.360 10 0 BEAEMN CCOC(=O)Cc1cc(C#N)cc(O)c1Cl ZINC000396143782 344617084 /nfs/dbraw/zinc/61/70/84/344617084.db2.gz BKKWATKDIIOBBG-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN Cc1ccsc1[C@@H]1NCCc2nc[nH]c21 ZINC000400409358 537854335 /nfs/dbraw/zinc/85/43/35/537854335.db2.gz VNLGPZLUHDDXCL-SNVBAGLBSA-N 0 1 219.313 2.015 10 0 BEAEMN CCOC(=O)Cc1cc(Cl)cc(O)c1C#N ZINC000396153321 344625660 /nfs/dbraw/zinc/62/56/60/344625660.db2.gz SKVNMAHPLMSYEI-UHFFFAOYSA-N 0 1 239.658 2.023 10 0 BEAEMN CN(Cc1ccccc1)[C@@H]1CCCC1=O ZINC000050132534 344646822 /nfs/dbraw/zinc/64/68/22/344646822.db2.gz CQNKOMMUDNHTQG-GFCCVEGCSA-N 0 1 203.285 2.240 10 0 BEAEMN CCc1nnsc1[C@H](N)C1CCCC1 ZINC000158718470 344731010 /nfs/dbraw/zinc/73/10/10/344731010.db2.gz HMFIMUFHBLANBT-SECBINFHSA-N 0 1 211.334 2.291 10 0 BEAEMN O=Cc1cc(-c2ccc(F)c(F)c2)n[nH]1 ZINC000050478847 344696111 /nfs/dbraw/zinc/69/61/11/344696111.db2.gz OUXIMFRKIBMKQI-UHFFFAOYSA-N 0 1 208.167 2.167 10 0 BEAEMN Cc1cc([C@@H]2NCCc3nc[nH]c32)c(C)s1 ZINC000400662194 537864332 /nfs/dbraw/zinc/86/43/32/537864332.db2.gz SLTNGGFSEPBLHX-NSHDSACASA-N 0 1 233.340 2.323 10 0 BEAEMN CC(=O)c1cccc(C2C(C)=NN(C)C2=O)c1 ZINC000675053352 537865595 /nfs/dbraw/zinc/86/55/95/537865595.db2.gz GUTAWZZUWKKUGW-UHFFFAOYSA-N 0 1 230.267 2.304 10 0 BEAEMN CC(=O)c1cccc(-c2c(C)[nH]n(C)c2=O)c1 ZINC000675053352 537865602 /nfs/dbraw/zinc/86/56/02/537865602.db2.gz GUTAWZZUWKKUGW-UHFFFAOYSA-N 0 1 230.267 2.304 10 0 BEAEMN C[C@@H]1SCC[C@@]12NCC[C@@H](C)S2 ZINC000235321650 344886888 /nfs/dbraw/zinc/88/68/88/344886888.db2.gz RFAIRHLRQXDYIU-VGMNWLOBSA-N 0 1 203.376 2.323 10 0 BEAEMN N[C@H](CF)c1cc2c(cc1Cl)OCO2 ZINC000238685754 345109089 /nfs/dbraw/zinc/10/90/89/345109089.db2.gz SZFJFRPZGRTNRS-SSDOTTSWSA-N 0 1 217.627 2.038 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1ccccc1Cl ZINC000250615503 345479460 /nfs/dbraw/zinc/47/94/60/345479460.db2.gz NUOMWGOJVGKZPL-KWQFWETISA-N 0 1 239.702 2.417 10 0 BEAEMN COc1ccc(CCCCc2cn[nH]n2)cc1 ZINC000034050191 345815468 /nfs/dbraw/zinc/81/54/68/345815468.db2.gz UCGDSTTUNTVBMD-UHFFFAOYSA-N 0 1 231.299 2.379 10 0 BEAEMN CC(C)(C)c1ccc(OC[C@H]2CN=C(N)O2)cc1 ZINC000034338307 345821533 /nfs/dbraw/zinc/82/15/33/345821533.db2.gz XBAKLHVTBQUKPI-GFCCVEGCSA-N 0 1 248.326 2.076 10 0 BEAEMN COc1ccc2c(c1)[C@@H](N)c1cccnc1CO2 ZINC000167590762 345794218 /nfs/dbraw/zinc/79/42/18/345794218.db2.gz AEGWOKLUIJHABT-AWEZNQCLSA-N 0 1 242.278 2.031 10 0 BEAEMN CCC[N@H+]1CCc2c(C(=O)[O-])csc2C1 ZINC000149113636 346084723 /nfs/dbraw/zinc/08/47/23/346084723.db2.gz PKUNBCOKOSVZNQ-UHFFFAOYSA-N 0 1 225.313 2.214 10 0 BEAEMN COC(=O)c1c(Cl)cc(O)cc1Cl ZINC000167420150 346245591 /nfs/dbraw/zinc/24/55/91/346245591.db2.gz WIPJAIOYPDTJOY-UHFFFAOYSA-N 0 1 221.039 2.486 10 0 BEAEMN CN1Cc2ccc(NC[C@H](O)C(C)(C)C)cc2C1 ZINC000574912378 346410409 /nfs/dbraw/zinc/41/04/09/346410409.db2.gz AFEPNULPNDYEKH-AWEZNQCLSA-N 0 1 248.370 2.451 10 0 BEAEMN CCCCN(CCO)c1nc2ccc(C)cc2[nH]1 ZINC000725241203 537977055 /nfs/dbraw/zinc/97/70/55/537977055.db2.gz AQPGQOBYMCXEBN-UHFFFAOYSA-N 0 1 247.342 2.470 10 0 BEAEMN CC(C)N(Cc1nc(CO)cs1)C(C)C ZINC000669380157 537984640 /nfs/dbraw/zinc/98/46/40/537984640.db2.gz RXQWVHOUTWIRQV-UHFFFAOYSA-N 0 1 228.361 2.254 10 0 BEAEMN CC[C@H]1CN(c2nc(Cl)cs2)CCN1C ZINC000165190241 346645462 /nfs/dbraw/zinc/64/54/62/346645462.db2.gz VYZGDTIIAUVXLM-QMMMGPOBSA-N 0 1 245.779 2.327 10 0 BEAEMN C[C@@H]1CCCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000187910501 346648809 /nfs/dbraw/zinc/64/88/09/346648809.db2.gz PGDKPKUMLWVIAL-LLVKDONJSA-N 0 1 248.374 2.315 10 0 BEAEMN C[C@@H]1CCCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000187910501 346648813 /nfs/dbraw/zinc/64/88/13/346648813.db2.gz PGDKPKUMLWVIAL-LLVKDONJSA-N 0 1 248.374 2.315 10 0 BEAEMN C[C@@H]1CCC[N@H+](C2CCC(C(=O)[O-])CC2)C1 ZINC000108275671 346667876 /nfs/dbraw/zinc/66/78/76/346667876.db2.gz VJLFCBKYGNIQKQ-VOMCLLRMSA-N 0 1 225.332 2.362 10 0 BEAEMN CCc1cc(Cl)ccc1[C@H]1COC(=N)N1 ZINC000169698886 346769199 /nfs/dbraw/zinc/76/91/99/346769199.db2.gz QMJCJXYDQQSDCX-SNVBAGLBSA-N 0 1 224.691 2.288 10 0 BEAEMN C[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000250498460 362807594 /nfs/dbraw/zinc/80/75/94/362807594.db2.gz ZWBDSPFRBFJPPP-MNOVXSKESA-N 0 1 211.305 2.114 10 0 BEAEMN CCc1cc2nc(C(F)(F)F)nn2c(O)c1 ZINC000725243339 537992521 /nfs/dbraw/zinc/99/25/21/537992521.db2.gz XXEGNMVWLJYGAI-UHFFFAOYSA-N 0 1 231.177 2.016 10 0 BEAEMN Cc1ccccc1OCc1csc(CN)n1 ZINC000041263232 179312657 /nfs/dbraw/zinc/31/26/57/179312657.db2.gz JPKODKAVUPTUHY-UHFFFAOYSA-N 0 1 234.324 2.489 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251383515 362868479 /nfs/dbraw/zinc/86/84/79/362868479.db2.gz ZVMYNBFPOVDGBB-QWRGUYRKSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251693186 362899880 /nfs/dbraw/zinc/89/98/80/362899880.db2.gz AXILZYGZFANPNQ-ZRUFSTJUSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000251597005 362889862 /nfs/dbraw/zinc/88/98/62/362889862.db2.gz BNPMEYZZGUHRAV-VWYCJHECSA-N 0 1 211.305 2.114 10 0 BEAEMN CCCC[C@@H]1C[C@@H](C(=O)[O-])[C@H]2CCC[N@@H+]12 ZINC000669382965 538006171 /nfs/dbraw/zinc/00/61/71/538006171.db2.gz QCORUKFZTKNLCS-GMTAPVOTSA-N 0 1 211.305 2.114 10 0 BEAEMN CCCC[C@@H]1C[C@@H](C(=O)[O-])[C@@H]2CCC[N@@H+]12 ZINC000669382968 538006613 /nfs/dbraw/zinc/00/66/13/538006613.db2.gz QCORUKFZTKNLCS-MXWKQRLJSA-N 0 1 211.305 2.114 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CC[N@H+](C2CCCC2)C1 ZINC000062937240 349125219 /nfs/dbraw/zinc/12/52/19/349125219.db2.gz LPFGWATVNGDTIF-GFCCVEGCSA-N 0 1 211.305 2.116 10 0 BEAEMN FC(F)(F)CNCc1ccc2nc[nH]c2c1 ZINC000061668509 349384222 /nfs/dbraw/zinc/38/42/22/349384222.db2.gz GSKAOAHFSOJOGO-UHFFFAOYSA-N 0 1 229.205 2.215 10 0 BEAEMN O=C([O-])[C@@H]1CC[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C1 ZINC000725254243 538043867 /nfs/dbraw/zinc/04/38/67/538043867.db2.gz YPYWCWPJUGJLMB-MCIONIFRSA-N 0 1 245.322 2.339 10 0 BEAEMN C[C@](N)(Cc1ccc(F)cc1)c1ncccn1 ZINC000725255055 538050117 /nfs/dbraw/zinc/05/01/17/538050117.db2.gz PTXLJPJRNRLIGE-ZDUSSCGKSA-N 0 1 231.274 2.032 10 0 BEAEMN Cc1nc([C@@H](N)[C@@H](C)c2ccccc2)no1 ZINC000041046478 180039743 /nfs/dbraw/zinc/03/97/43/180039743.db2.gz IKCCSWLAGTYITH-KWQFWETISA-N 0 1 217.272 2.182 10 0 BEAEMN Cc1nc([C@@](C)(N)C2CCCCC2)no1 ZINC000037367379 180044003 /nfs/dbraw/zinc/04/40/03/180044003.db2.gz QCPCTBMPTTWZPW-NSHDSACASA-N 0 1 209.293 2.132 10 0 BEAEMN Cc1nc([C@@](C)(N)CCc2ccccc2)no1 ZINC000036762485 180045845 /nfs/dbraw/zinc/04/58/45/180045845.db2.gz WBDUWMITPBYJTQ-ZDUSSCGKSA-N 0 1 231.299 2.185 10 0 BEAEMN CC(C)n1[nH]c(-c2ccnn2C)cc1=S ZINC000725257341 538062569 /nfs/dbraw/zinc/06/25/69/538062569.db2.gz OHHDKYHBCIVGBK-UHFFFAOYSA-N 0 1 222.317 2.153 10 0 BEAEMN Cc1ncc(CNc2ncc(N)cc2C)s1 ZINC000052812955 180160390 /nfs/dbraw/zinc/16/03/90/180160390.db2.gz OLNKHHLVMOCPME-UHFFFAOYSA-N 0 1 234.328 2.349 10 0 BEAEMN Cc1[nH+]ccn1Cc1ccccc1/C=C/C(=O)[O-] ZINC000049626953 180269240 /nfs/dbraw/zinc/26/92/40/180269240.db2.gz KWISTFHNBQBDFY-VOTSOKGWSA-N 0 1 242.278 2.338 10 0 BEAEMN Cc1[nH+]ccn1Cc1ccccc1/C=C\C(=O)[O-] ZINC000103377763 180269765 /nfs/dbraw/zinc/26/97/65/180269765.db2.gz KWISTFHNBQBDFY-SREVYHEPSA-N 0 1 242.278 2.338 10 0 BEAEMN CC1=NN(c2nc3ccccc3[nH]2)C(C)C1=O ZINC000031886632 180330338 /nfs/dbraw/zinc/33/03/38/180330338.db2.gz NRJSOFGHRWZGTQ-UHFFFAOYSA-N 0 1 228.255 2.071 10 0 BEAEMN O=c1cc(C2CCC2)[nH]n1C[C@@H]1CCCO1 ZINC000409439540 350482439 /nfs/dbraw/zinc/48/24/39/350482439.db2.gz PORYYQSAMTZWNN-JTQLQIEISA-N 0 1 222.288 2.035 10 0 BEAEMN CN1CCCOC[C@H]1c1cnnc2ccccc21 ZINC000616597076 350638456 /nfs/dbraw/zinc/63/84/56/350638456.db2.gz MJXWOFYMECLPMK-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN CN1CCCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616598550 350676057 /nfs/dbraw/zinc/67/60/57/350676057.db2.gz DJYRAVILJHCROE-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)(C)N1CCOCC[C@H]1c1cccnn1 ZINC000616598751 350688192 /nfs/dbraw/zinc/68/81/92/350688192.db2.gz VJOUEWFCNYLRDG-LBPRGKRZSA-N 0 1 235.331 2.039 10 0 BEAEMN C[C@@H]1CCC[C@@H](CN2CCC(=O)CC2)C1 ZINC000235357278 350716092 /nfs/dbraw/zinc/71/60/92/350716092.db2.gz FVEYWUUVLZVRRH-VXGBXAGGSA-N 0 1 209.333 2.478 10 0 BEAEMN CN1CCCOC[C@@H]1c1ccc(F)cc1 ZINC000616599986 350778747 /nfs/dbraw/zinc/77/87/47/350778747.db2.gz VBDSOHZCWXTQEN-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN c1nnoc1[C@H]1CCCN1Cc1ccccc1 ZINC000616606569 350798079 /nfs/dbraw/zinc/79/80/79/350798079.db2.gz BTXXDJKGLOUWAC-GFCCVEGCSA-N 0 1 229.283 2.407 10 0 BEAEMN c1[nH]nnc1[C@@H]1CCCN1Cc1ccccc1 ZINC000616607221 350800265 /nfs/dbraw/zinc/80/02/65/350800265.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 0 1 228.299 2.142 10 0 BEAEMN CCCN1CCc2nc(CC)sc2C1 ZINC000306677120 350830465 /nfs/dbraw/zinc/83/04/65/350830465.db2.gz YGBDWWCKSKMEBD-UHFFFAOYSA-N 0 1 210.346 2.474 10 0 BEAEMN CC(C)(C)N1CCCC[C@@H]1c1conn1 ZINC000616614905 350842018 /nfs/dbraw/zinc/84/20/18/350842018.db2.gz YPIZXFIRJCANBF-SNVBAGLBSA-N 0 1 209.293 2.395 10 0 BEAEMN C[N@@H+]([C@@H]1CC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000250442900 350881377 /nfs/dbraw/zinc/88/13/77/350881377.db2.gz UEXVRFMGMKOWTM-GHMZBOCLSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H]([N@H+]1CCCC[C@H]1C(=O)[O-])C1(C)CC1 ZINC000251469812 350897361 /nfs/dbraw/zinc/89/73/61/350897361.db2.gz DMFCBBKQDCFCMK-UWVGGRQHSA-N 0 1 211.305 2.114 10 0 BEAEMN Cc1ccnc(N)c1Cc1cncs1 ZINC000159781618 351001205 /nfs/dbraw/zinc/00/12/05/351001205.db2.gz UDVSFDUTPYDZAA-UHFFFAOYSA-N 0 1 205.286 2.020 10 0 BEAEMN CNCc1coc(-c2cc(C)cs2)n1 ZINC000306808895 351061175 /nfs/dbraw/zinc/06/11/75/351061175.db2.gz QJSLOWXJMZRCJB-UHFFFAOYSA-N 0 1 208.286 2.431 10 0 BEAEMN CC(C)N1CCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616649509 351178469 /nfs/dbraw/zinc/17/84/69/351178469.db2.gz WFAAAENKHJBAIU-HNNXBMFYSA-N 0 1 249.354 2.003 10 0 BEAEMN C[N@H+]1CCc2ccccc2[C@H]1c1cccnc1N ZINC000616679143 351250540 /nfs/dbraw/zinc/25/05/40/351250540.db2.gz KXCAVQHYGHQNGQ-AWEZNQCLSA-N 0 1 239.322 2.241 10 0 BEAEMN CN1CCc2ccccc2[C@H]1c1cccnc1N ZINC000616679143 351250543 /nfs/dbraw/zinc/25/05/43/351250543.db2.gz KXCAVQHYGHQNGQ-AWEZNQCLSA-N 0 1 239.322 2.241 10 0 BEAEMN CNc1ccccc1[C@H]1CCOCC[N@H+]1C ZINC000616655519 351195670 /nfs/dbraw/zinc/19/56/70/351195670.db2.gz FSPMYKSDTIQWCF-CYBMUJFWSA-N 0 1 220.316 2.122 10 0 BEAEMN CN1CCOCC[C@@H]1c1cccc(F)c1 ZINC000616656658 351196632 /nfs/dbraw/zinc/19/66/32/351196632.db2.gz XAXXYTNRUGTCBP-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CC(C)(C)N1CCOC[C@H](OC(F)(F)F)C1 ZINC000616662054 351217714 /nfs/dbraw/zinc/21/77/14/351217714.db2.gz ZQAHJXJCQDNFGZ-MRVPVSSYSA-N 0 1 241.253 2.022 10 0 BEAEMN CCNCc1c(F)c(F)cc(F)c1F ZINC000306890377 351297953 /nfs/dbraw/zinc/29/79/53/351297953.db2.gz YWWNDDOZCFBPGT-UHFFFAOYSA-N 0 1 207.170 2.353 10 0 BEAEMN Cn1cc([C@@H](N)c2c(F)cccc2Cl)cn1 ZINC000034957707 351362827 /nfs/dbraw/zinc/36/28/27/351362827.db2.gz CPJICUNYISBSHU-LLVKDONJSA-N 0 1 239.681 2.261 10 0 BEAEMN Cc1cc2nc(C=O)[nH]c2cc1Br ZINC000307059185 351458075 /nfs/dbraw/zinc/45/80/75/351458075.db2.gz HIQPHRCOPBINCZ-UHFFFAOYSA-N 0 1 239.072 2.446 10 0 BEAEMN CC(C)(N)C(=O)c1ccsc1Cl ZINC000307022726 351426320 /nfs/dbraw/zinc/42/63/20/351426320.db2.gz HFGJPIMXNQETPF-UHFFFAOYSA-N 0 1 203.694 2.322 10 0 BEAEMN C[C@@H]1NC(=S)Oc2cn(-c3ccccc3)nc21 ZINC000725268567 538100759 /nfs/dbraw/zinc/10/07/59/538100759.db2.gz FGJVLOMTTARREV-QMMMGPOBSA-N 0 1 245.307 2.200 10 0 BEAEMN Cc1nc(-c2cnc(CN)s2)cs1 ZINC000307341595 352091231 /nfs/dbraw/zinc/09/12/31/352091231.db2.gz VEAKRNLGSWJUPX-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN COc1ccc(-c2cnc(CN)s2)s1 ZINC000307355668 352323757 /nfs/dbraw/zinc/32/37/57/352323757.db2.gz YLWMOMKNVZIHIB-UHFFFAOYSA-N 0 1 226.326 2.339 10 0 BEAEMN CC(C)CC(=O)Nc1ccc2[nH]c(CN)nc2c1 ZINC000725271407 538103064 /nfs/dbraw/zinc/10/30/64/538103064.db2.gz MFOCNUQITWKZBZ-UHFFFAOYSA-N 0 1 246.314 2.006 10 0 BEAEMN FC1(F)CCCC[C@H]1c1n[nH]c(=S)[nH]1 ZINC000307410487 352586525 /nfs/dbraw/zinc/58/65/25/352586525.db2.gz FDXOQHGRZGWVGW-YFKPBYRVSA-N 0 1 219.260 2.386 10 0 BEAEMN Cc1nccc(N2CCC(=O)CC2)c1Cl ZINC000307612093 352670037 /nfs/dbraw/zinc/67/00/37/352670037.db2.gz KCFXSFLPBKTYAG-UHFFFAOYSA-N 0 1 224.691 2.213 10 0 BEAEMN Cc1nn(Cc2ccoc2CN)c(C)c1Cl ZINC000052573883 187781999 /nfs/dbraw/zinc/78/19/99/187781999.db2.gz GVNVFANXXIFIPW-UHFFFAOYSA-N 0 1 239.706 2.253 10 0 BEAEMN C[C@@H]1C[C@H](C)CN1Cc1ccnc(Cl)n1 ZINC000307628401 352708700 /nfs/dbraw/zinc/70/87/00/352708700.db2.gz UAUDBAJWKQTXHR-DTWKUNHWSA-N 0 1 225.723 2.360 10 0 BEAEMN OCc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000334191390 352782154 /nfs/dbraw/zinc/78/21/54/352782154.db2.gz JTRWVEFUVHOAOK-KBPBESRZSA-N 0 1 217.312 2.163 10 0 BEAEMN CCn1ccnc1N[C@@H](C)C(F)(F)F ZINC000306567157 353025728 /nfs/dbraw/zinc/02/57/28/353025728.db2.gz ZKPYSCQOXACJQP-LURJTMIESA-N 0 1 207.199 2.266 10 0 BEAEMN Cc1nc(C)c([C@@H]2N[C@@H](C)CS2)s1 ZINC000307444267 353076968 /nfs/dbraw/zinc/07/69/68/353076968.db2.gz UROXZLCLRHYNGS-SSDLBLMSSA-N 0 1 214.359 2.483 10 0 BEAEMN C[C@@H]1CO[C@H](c2c(F)cccc2F)CN1 ZINC000036986486 188105281 /nfs/dbraw/zinc/10/52/81/188105281.db2.gz WMVBIWWNGZIJEU-XCBNKYQSSA-N 0 1 213.227 2.014 10 0 BEAEMN Brc1nccn1-c1ccncc1 ZINC000075842567 188132527 /nfs/dbraw/zinc/13/25/27/188132527.db2.gz IYGZYQZTJWUKBO-UHFFFAOYSA-N 0 1 224.061 2.030 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@@H+](Cc1ccco1)C1CC1 ZINC000104273684 188151205 /nfs/dbraw/zinc/15/12/05/188151205.db2.gz AAPULXBHODETDG-JXMROGBWSA-N 0 1 235.283 2.275 10 0 BEAEMN CC(C)(N)c1noc(C2CCCCC2)n1 ZINC000041052850 188150088 /nfs/dbraw/zinc/15/00/88/188150088.db2.gz AGFARXRAIINBND-UHFFFAOYSA-N 0 1 209.293 2.311 10 0 BEAEMN CN[C@H]1COc2c1c(Br)ccc2F ZINC000126646226 353255782 /nfs/dbraw/zinc/25/57/82/353255782.db2.gz JBXILIQTGMGFPT-ZETCQYMHSA-N 0 1 246.079 2.241 10 0 BEAEMN O=c1[nH]cnc(Oc2ccccc2)c1Cl ZINC000165674248 353441829 /nfs/dbraw/zinc/44/18/29/353441829.db2.gz VIRTXDQQJDVFGR-UHFFFAOYSA-N 0 1 222.631 2.216 10 0 BEAEMN CC(C)C1(CN2CCC(=O)[C@@H](C)C2)CC1 ZINC000232614978 353740519 /nfs/dbraw/zinc/74/05/19/353740519.db2.gz KXHCYZYQNLTHHF-NSHDSACASA-N 0 1 209.333 2.334 10 0 BEAEMN CSc1nc2c(ncnc2NCC=C(C)C)[nH]1 ZINC000002581952 355300151 /nfs/dbraw/zinc/30/01/51/355300151.db2.gz BJHLVZKNVOGCDV-UHFFFAOYSA-N 0 1 249.343 2.453 10 0 BEAEMN N=C(N)c1nc(Cl)c(Cl)cc1Cl ZINC000071186727 181197662 /nfs/dbraw/zinc/19/76/62/181197662.db2.gz QXPJRXPXRBYZBM-UHFFFAOYSA-N 0 1 224.478 2.326 10 0 BEAEMN NC(=O)C1(N[C@H]2CCc3ccccc32)CC1 ZINC000335621009 181200946 /nfs/dbraw/zinc/20/09/46/181200946.db2.gz BLJOPBPPKUNIDZ-NSHDSACASA-N 0 1 216.284 2.331 10 0 BEAEMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccncc1 ZINC000035126587 355840217 /nfs/dbraw/zinc/84/02/17/355840217.db2.gz RZIGOAYTKRKLCV-VIFPVBQESA-N 0 1 243.266 2.348 10 0 BEAEMN Nc1cccc2c1CNC[C@H]2C(F)(F)F ZINC000675056396 538478192 /nfs/dbraw/zinc/47/81/92/538478192.db2.gz PKRYYBUUOZLNJP-MRVPVSSYSA-N 0 1 216.206 2.018 10 0 BEAEMN COc1nscc1[C@H]1CCC[C@H](C)N1 ZINC000675059514 538484516 /nfs/dbraw/zinc/48/45/16/538484516.db2.gz QRSKRXJRXVHEOK-IONNQARKSA-N 0 1 212.318 2.355 10 0 BEAEMN COc1ccc(Cl)cc1C(=O)C(C)(C)N ZINC000168677066 357057455 /nfs/dbraw/zinc/05/74/55/357057455.db2.gz VVMRDSIOVBXYSK-UHFFFAOYSA-N 0 1 227.691 2.269 10 0 BEAEMN COc1ccc2nc(CCCCCO)[nH]c2c1 ZINC000026462223 357136213 /nfs/dbraw/zinc/13/62/13/357136213.db2.gz HWSYEDJBQRIUBG-UHFFFAOYSA-N 0 1 234.299 2.277 10 0 BEAEMN Cc1cnc([C@@H](C)NCC[C@@H]2CCCO2)o1 ZINC000230417612 357524032 /nfs/dbraw/zinc/52/40/32/357524032.db2.gz AHYZPKWOUWPELO-MNOVXSKESA-N 0 1 224.304 2.203 10 0 BEAEMN Cc1cnc([C@H](C)N[C@H]2CCCOCC2)o1 ZINC000231529636 357609235 /nfs/dbraw/zinc/60/92/35/357609235.db2.gz GNMRSSVPNANCOB-QWRGUYRKSA-N 0 1 224.304 2.203 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000233410698 357723882 /nfs/dbraw/zinc/72/38/82/357723882.db2.gz CAMPTHSADHRBGJ-CMPLNLGQSA-N 0 1 236.363 2.311 10 0 BEAEMN CC[C@H](C)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000190439503 357707813 /nfs/dbraw/zinc/70/78/13/357707813.db2.gz PCSFZXXFTDACEQ-QWHCGFSZSA-N 0 1 238.375 2.119 10 0 BEAEMN C[C@@H](O)CN1CC=C(c2ccccc2F)CC1 ZINC000192803709 357856085 /nfs/dbraw/zinc/85/60/85/357856085.db2.gz SQRQMSWIGDHHPZ-LLVKDONJSA-N 0 1 235.302 2.296 10 0 BEAEMN CS[C@H](C)CNc1nc(C)ccc1N ZINC000169041400 358014005 /nfs/dbraw/zinc/01/40/05/358014005.db2.gz UMLCWOFQNHQHLM-MRVPVSSYSA-N 0 1 211.334 2.136 10 0 BEAEMN Cc1nc(CN2CCC[C@@H]2CCCO)oc1C ZINC000052761762 358792411 /nfs/dbraw/zinc/79/24/11/358792411.db2.gz OXCOLUSRIKXISJ-GFCCVEGCSA-N 0 1 238.331 2.028 10 0 BEAEMN C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C(C)(C)C ZINC000135510293 358841989 /nfs/dbraw/zinc/84/19/89/358841989.db2.gz BSUOXOBRXWVAOI-NXEZZACHSA-N 0 1 249.358 2.380 10 0 BEAEMN CC(C)(C)NCc1ncncc1Br ZINC000306187006 359002682 /nfs/dbraw/zinc/00/26/82/359002682.db2.gz CZYXOKSSHPGJSP-UHFFFAOYSA-N 0 1 244.136 2.127 10 0 BEAEMN C[C@@H]1CC2(CCC2)C[N@H+]1CCCC(=O)[O-] ZINC000380242448 366562226 /nfs/dbraw/zinc/56/22/26/366562226.db2.gz NLZDQVIIEFETCI-SNVBAGLBSA-N 0 1 211.305 2.116 10 0 BEAEMN CSC1([C@H]2NCC[C@H](C)S2)CC1 ZINC000306449737 360018982 /nfs/dbraw/zinc/01/89/82/360018982.db2.gz NIWLOMCLCKRVLG-YUMQZZPRSA-N 0 1 203.376 2.323 10 0 BEAEMN OC1(C2CC2)CN(CCCc2ccccc2)C1 ZINC000089678289 360033890 /nfs/dbraw/zinc/03/38/90/360033890.db2.gz XDCUUJVJICDSEE-UHFFFAOYSA-N 0 1 231.339 2.076 10 0 BEAEMN c1cc(C2CCN(Cc3cncs3)CC2)n[nH]1 ZINC000092810715 360201676 /nfs/dbraw/zinc/20/16/76/360201676.db2.gz FBMQRKFSRFKENS-UHFFFAOYSA-N 0 1 248.355 2.246 10 0 BEAEMN C[C@@H]1C[C@@H]1c1nc(C(F)F)c(CN)o1 ZINC000306566047 360444511 /nfs/dbraw/zinc/44/45/11/360444511.db2.gz FUWIALVXIWKNGV-UHNVWZDZSA-N 0 1 202.204 2.194 10 0 BEAEMN CCn1ccnc1N[C@H](C)C(F)(F)F ZINC000306567159 360447066 /nfs/dbraw/zinc/44/70/66/360447066.db2.gz ZKPYSCQOXACJQP-ZCFIWIBFSA-N 0 1 207.199 2.266 10 0 BEAEMN C[C@H]1CSCCN1CC(=O)C(C)(C)C ZINC000069761241 360409284 /nfs/dbraw/zinc/40/92/84/360409284.db2.gz IFJLGWZPCMRIIL-VIFPVBQESA-N 0 1 215.362 2.039 10 0 BEAEMN c1nc2c(ncnc2NCC2CCCCC2)[nH]1 ZINC000034065024 360454851 /nfs/dbraw/zinc/45/48/51/360454851.db2.gz TWNYVXWYJQBLCA-UHFFFAOYSA-N 0 1 231.303 2.345 10 0 BEAEMN O=c1cc(-c2c(Cl)cccc2Cl)[nH][nH]1 ZINC000306573781 360463934 /nfs/dbraw/zinc/46/39/34/360463934.db2.gz IIUCTUSGUVERCX-UHFFFAOYSA-N 0 1 229.066 2.217 10 0 BEAEMN CC(C)N1CCc2[nH]c(=S)sc2C1 ZINC000070598213 361581555 /nfs/dbraw/zinc/58/15/55/361581555.db2.gz KBBBXPGQOYGYJC-UHFFFAOYSA-N 0 1 214.359 2.198 10 0 BEAEMN CCn1cc(-c2csc(=S)[nH]2)cn1 ZINC000070598236 361581892 /nfs/dbraw/zinc/58/18/92/361581892.db2.gz FTKUQZDMVHCWIM-UHFFFAOYSA-N 0 1 211.315 2.315 10 0 BEAEMN C[C@H]1CCCN(Cc2ccc(C=O)o2)C1 ZINC000161262938 363865955 /nfs/dbraw/zinc/86/59/55/363865955.db2.gz HCZZXPYAZYNLEY-JTQLQIEISA-N 0 1 207.273 2.324 10 0 BEAEMN Cc1nc(CN)sc1-c1cc(N)ccc1C ZINC000669380641 541437066 /nfs/dbraw/zinc/43/70/66/541437066.db2.gz OORMZVLYZWCEAU-UHFFFAOYSA-N 0 1 233.340 2.468 10 0 BEAEMN CCc1nnc(CN2CCC[C@H]3CCC[C@@H]32)n1C ZINC000173806515 365446421 /nfs/dbraw/zinc/44/64/21/365446421.db2.gz OSXGTXUDHQCHRN-NEPJUHHUSA-N 0 1 248.374 2.142 10 0 BEAEMN C[C@H]([N@@H+](C)Cc1nc(C(=O)[O-])co1)C(C)(C)C ZINC000387120090 368053932 /nfs/dbraw/zinc/05/39/32/368053932.db2.gz FYBFJBNROZUOOX-QMMMGPOBSA-N 0 1 240.303 2.239 10 0 BEAEMN NCc1ncc(Sc2ccccc2)cn1 ZINC000222515240 368361036 /nfs/dbraw/zinc/36/10/36/368361036.db2.gz UDXPUXACNHMITE-UHFFFAOYSA-N 0 1 217.297 2.087 10 0 BEAEMN COC(=O)/C=C1\CCCN(Cc2ccccc2)C1 ZINC000211626112 368361195 /nfs/dbraw/zinc/36/11/95/368361195.db2.gz PETMGASBJCUITG-GXDHUFHOSA-N 0 1 245.322 2.382 10 0 BEAEMN COC(=O)c1c[nH]c2cc(Cl)ncc12 ZINC000215084747 368941439 /nfs/dbraw/zinc/94/14/39/368941439.db2.gz OWGNXRUWWPLHFR-UHFFFAOYSA-N 0 1 210.620 2.003 10 0 BEAEMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090978153 369002756 /nfs/dbraw/zinc/00/27/56/369002756.db2.gz KCGNKDITBJVVOQ-SWLSCSKDSA-N 0 1 245.322 2.123 10 0 BEAEMN CC(C)C[N@H+](CC(=O)[O-])C[C@H]1Cc2ccccc21 ZINC000090978139 369003280 /nfs/dbraw/zinc/00/32/80/369003280.db2.gz NQSWIEOEZJKARJ-CYBMUJFWSA-N 0 1 247.338 2.369 10 0 BEAEMN C[C@H]1C[C@H]1NCc1ccncc1Br ZINC000631063950 371241999 /nfs/dbraw/zinc/24/19/99/371241999.db2.gz PDGPHGRMHKYNBW-OIBJUYFYSA-N 0 1 241.132 2.342 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000225734057 371570021 /nfs/dbraw/zinc/57/00/21/371570021.db2.gz IJFGSRTVWXCKBM-VWYCJHECSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@@H]1CN([C@H]2CCCCC2=O)C[C@H](C)S1 ZINC000226672469 371721485 /nfs/dbraw/zinc/72/14/85/371721485.db2.gz ADQRJWPNYLXASP-AXFHLTTASA-N 0 1 227.373 2.324 10 0 BEAEMN CC(=O)[C@H]1CCCN(C/C=C\Cl)C1 ZINC000216129006 371702367 /nfs/dbraw/zinc/70/23/67/371702367.db2.gz AFHZOGSYMSTZRH-ATPLWMGHSA-N 0 1 201.697 2.040 10 0 BEAEMN Cc1ccc(F)cc1C(=O)C1(N)CCC1 ZINC000226778103 371743449 /nfs/dbraw/zinc/74/34/49/371743449.db2.gz PDOQITDAFHQONM-UHFFFAOYSA-N 0 1 207.248 2.198 10 0 BEAEMN NC1(C(=O)c2ccccc2Cl)CCC1 ZINC000226777941 371742852 /nfs/dbraw/zinc/74/28/52/371742852.db2.gz QVQUAYHERFMLOX-UHFFFAOYSA-N 0 1 209.676 2.404 10 0 BEAEMN C[C@H]1CCSC(NCc2nccs2)=N1 ZINC000133557610 372073451 /nfs/dbraw/zinc/07/34/51/372073451.db2.gz BYJBAAOBRSZPDE-ZETCQYMHSA-N 0 1 227.358 2.114 10 0 BEAEMN CN1CCC[C@](O)(c2ccc(Cl)s2)C1 ZINC000134349171 372198456 /nfs/dbraw/zinc/19/84/56/372198456.db2.gz AQSWRDVDUWQJKC-SNVBAGLBSA-N 0 1 231.748 2.315 10 0 BEAEMN CC(C)(C)[C@H](N)c1ncc(Br)cn1 ZINC000070948328 374234454 /nfs/dbraw/zinc/23/44/54/374234454.db2.gz RNSXRDFMCOXHSY-SSDOTTSWSA-N 0 1 244.136 2.285 10 0 BEAEMN O=C(Nc1cnccn1)c1cc(Cl)ccc1O ZINC000034082600 182394656 /nfs/dbraw/zinc/39/46/56/182394656.db2.gz BQDFLNWCTZAAFJ-UHFFFAOYSA-N 0 1 249.657 2.088 10 0 BEAEMN O=C1CCNC[C@@H]1Cc1ccc(Cl)cc1 ZINC000071531464 182743638 /nfs/dbraw/zinc/74/36/38/182743638.db2.gz BZALECIFKDAEGD-JTQLQIEISA-N 0 1 223.703 2.061 10 0 BEAEMN CCOC(=O)[C@]1(N)C[C@@H](C)CC(C)(C)C1 ZINC000037459916 170286203 /nfs/dbraw/zinc/28/62/03/170286203.db2.gz MXBISIMZUWCNIY-CABZTGNLSA-N 0 1 213.321 2.093 10 0 BEAEMN COCC[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000220932256 134314834 /nfs/dbraw/zinc/31/48/34/134314834.db2.gz YJZBCRREMBCXNZ-PSASIEDQSA-N 0 1 212.293 2.059 10 0 BEAEMN CCCN(C(=O)CN)c1c(C)cccc1C ZINC000027656754 169042637 /nfs/dbraw/zinc/04/26/37/169042637.db2.gz HVGGIFBJAKUJRK-UHFFFAOYSA-N 0 1 220.316 2.005 10 0 BEAEMN CCCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106912339 169058914 /nfs/dbraw/zinc/05/89/14/169058914.db2.gz XIBAYNVWEZNLEJ-AWEZNQCLSA-N 0 1 248.370 2.028 10 0 BEAEMN CCCN(C(=O)[C@@H](N)Cc1ccccc1)C(C)C ZINC000037096244 169045598 /nfs/dbraw/zinc/04/55/98/169045598.db2.gz IQJBROUSEARSIG-AWEZNQCLSA-N 0 1 248.370 2.203 10 0 BEAEMN O[C@@]1(c2ccc(F)c(F)c2)CCN(C2CC2)C1 ZINC000061987940 183218329 /nfs/dbraw/zinc/21/83/29/183218329.db2.gz VBDQFJWSWYRYJK-ZDUSSCGKSA-N 0 1 239.265 2.021 10 0 BEAEMN O[C@H](CN1CCCC1)c1cc(F)cc(F)c1 ZINC000070459492 183219930 /nfs/dbraw/zinc/21/99/30/183219930.db2.gz CZOACBHUBBNWDU-GFCCVEGCSA-N 0 1 227.254 2.094 10 0 BEAEMN CCC[N@@H+](C)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751081 169088615 /nfs/dbraw/zinc/08/86/15/169088615.db2.gz UBDBAKIMCVFECS-QWRGUYRKSA-N 0 1 213.321 2.362 10 0 BEAEMN CCC[N@@H+]1[C@@H]2CC[C@H]1CC(CC(=O)[O-])C2 ZINC000062570440 169210919 /nfs/dbraw/zinc/21/09/19/169210919.db2.gz IBELTMQMMFVCAH-FGWVZKOKSA-N 0 1 211.305 2.114 10 0 BEAEMN c1cc2c(cn1)CCN2c1ccnc(C2CC2)n1 ZINC000127781281 183372444 /nfs/dbraw/zinc/37/24/44/183372444.db2.gz BRUXSHDNCSJPBC-UHFFFAOYSA-N 0 1 238.294 2.443 10 0 BEAEMN c1cc2c(s1)CCC[C@H]2NC1COC1 ZINC000082488669 183372839 /nfs/dbraw/zinc/37/28/39/183372839.db2.gz YIROUJDMFFZSLK-SNVBAGLBSA-N 0 1 209.314 2.114 10 0 BEAEMN CCCN[C@H](C)c1csc(NC(C)=O)n1 ZINC000076784996 169287989 /nfs/dbraw/zinc/28/79/89/169287989.db2.gz YXYKXZBVLNGRLG-SSDOTTSWSA-N 0 1 227.333 2.162 10 0 BEAEMN c1ccc(CN2CC3(CC3)C3(C2)OCCO3)cc1 ZINC000095830583 183396110 /nfs/dbraw/zinc/39/61/10/183396110.db2.gz OWIKXZCJZUVNPT-UHFFFAOYSA-N 0 1 245.322 2.026 10 0 BEAEMN CCCNCc1cnn(-c2ccc(F)cc2C)n1 ZINC000111739960 169270004 /nfs/dbraw/zinc/27/00/04/169270004.db2.gz QQHPNGJFFPYPBI-UHFFFAOYSA-N 0 1 248.305 2.214 10 0 BEAEMN CCCN[C@H]1c2ccc(OC(C)C)cc2NC1=O ZINC000103926463 169280654 /nfs/dbraw/zinc/28/06/54/169280654.db2.gz FFUXZFKTGIYOTR-ZDUSSCGKSA-N 0 1 248.326 2.467 10 0 BEAEMN CCCN[C@@]1(c2nccs2)CCSC1 ZINC000041061341 169283720 /nfs/dbraw/zinc/28/37/20/169283720.db2.gz KMVPMNRISXDCJR-JTQLQIEISA-N 0 1 228.386 2.475 10 0 BEAEMN CCCNc1cc(CC)nc(N2CCCC2)n1 ZINC000050851435 169293404 /nfs/dbraw/zinc/29/34/04/169293404.db2.gz JIHVJRPFWJQEEF-UHFFFAOYSA-N 0 1 234.347 2.461 10 0 BEAEMN CCCNc1nc(C)cc(C)c1C(N)=S ZINC000040509917 169295828 /nfs/dbraw/zinc/29/58/28/169295828.db2.gz PNGSRSBWDGHDSL-UHFFFAOYSA-N 0 1 223.345 2.155 10 0 BEAEMN CCC[C@@H](C)[NH2+][C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000037642591 169371462 /nfs/dbraw/zinc/37/14/62/169371462.db2.gz FJWKAQOLBHWTMU-RKDXNWHRSA-N 0 1 237.347 2.226 10 0 BEAEMN CCC[C@@H](N)C(=O)Cc1ccccc1C ZINC000082379445 169386852 /nfs/dbraw/zinc/38/68/52/169386852.db2.gz FYUNTEZHLLKABZ-GFCCVEGCSA-N 0 1 205.301 2.234 10 0 BEAEMN CCC[C@@H](N)c1noc(-c2ccc(C)o2)n1 ZINC000041052536 169395025 /nfs/dbraw/zinc/39/50/25/169395025.db2.gz CBTKETRMPZHMFO-MRVPVSSYSA-N 0 1 221.260 2.438 10 0 BEAEMN CCC[C@@H](N)c1nncn1C1CCCC1 ZINC000054526339 169395367 /nfs/dbraw/zinc/39/53/67/169395367.db2.gz RMYQAJPRMFDTGX-SNVBAGLBSA-N 0 1 208.309 2.193 10 0 BEAEMN C[C@H]1C[C@H]1NCc1ncc(Cl)s1 ZINC000225338271 134354970 /nfs/dbraw/zinc/35/49/70/134354970.db2.gz RSOCTRXOCVAOKO-NTSWFWBYSA-N 0 1 202.710 2.295 10 0 BEAEMN C[C@H](NCc1ccnn1C)c1cccc(F)c1 ZINC000036901259 383917931 /nfs/dbraw/zinc/91/79/31/383917931.db2.gz ZGQVLZGHTUMXJP-JTQLQIEISA-N 0 1 233.290 2.410 10 0 BEAEMN CCC[N@H+](CC(=O)[O-])C[C@@H]1Cc2ccccc21 ZINC000090978078 383923669 /nfs/dbraw/zinc/92/36/69/383923669.db2.gz KNMAOFLPMIFBDT-LBPRGKRZSA-N 0 1 233.311 2.123 10 0 BEAEMN C[C@H](NCc1ncccc1Cl)[C@H]1CCCO1 ZINC000528441773 383884030 /nfs/dbraw/zinc/88/40/30/383884030.db2.gz APGDGYAGNMFERC-JOYOIKCWSA-N 0 1 240.734 2.392 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1c(Cl)cnn1C ZINC000131926542 383898840 /nfs/dbraw/zinc/89/88/40/383898840.db2.gz JVRGLZKJDGOSMQ-WCBMZHEXSA-N 0 1 227.739 2.352 10 0 BEAEMN COC1CCN(c2ccc3c[nH]nc3c2)CC1 ZINC000089197341 383943809 /nfs/dbraw/zinc/94/38/09/383943809.db2.gz PJUXIVHQWBHNIJ-UHFFFAOYSA-N 0 1 231.299 2.178 10 0 BEAEMN Cc1nc(N)nc(N)c1Cc1ccc(Cl)cc1 ZINC000003641169 384022846 /nfs/dbraw/zinc/02/28/46/384022846.db2.gz LXNGLGDIPZGTHE-UHFFFAOYSA-N 0 1 248.717 2.194 10 0 BEAEMN FC(F)(F)[C@@H]1CNC[C@H](C2CCCC2)O1 ZINC000074942705 384314261 /nfs/dbraw/zinc/31/42/61/384314261.db2.gz PQRFYIAFENWTLV-BDAKNGLRSA-N 0 1 223.238 2.096 10 0 BEAEMN FC(F)(F)[C@@H]1CNC[C@@H](C2CCCC2)O1 ZINC000074942703 384314794 /nfs/dbraw/zinc/31/47/94/384314794.db2.gz PQRFYIAFENWTLV-IUCAKERBSA-N 0 1 223.238 2.096 10 0 BEAEMN CC[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000134493697 384360483 /nfs/dbraw/zinc/36/04/83/384360483.db2.gz JAABQZRULFXHOK-QWRGUYRKSA-N 0 1 247.342 2.088 10 0 BEAEMN Clc1n[nH]c2cnc(Br)cc12 ZINC000076914683 384387316 /nfs/dbraw/zinc/38/73/16/384387316.db2.gz DLSRNINJBNNCRD-UHFFFAOYSA-N 0 1 232.468 2.374 10 0 BEAEMN OCc1cc(Cl)cc(O)c1Br ZINC000575676747 384486996 /nfs/dbraw/zinc/48/69/96/384486996.db2.gz UESVURNXNGTTAM-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN COC[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172355968 384572598 /nfs/dbraw/zinc/57/25/98/384572598.db2.gz QYUJJHSWJMCLAV-SSDOTTSWSA-N 0 1 243.690 2.267 10 0 BEAEMN Cc1nccc(N2C[C@H](O)C[C@H](C)C2)c1Cl ZINC000334812695 384734224 /nfs/dbraw/zinc/73/42/24/384734224.db2.gz MKRNTUBQLMOHIL-WCBMZHEXSA-N 0 1 240.734 2.251 10 0 BEAEMN O=Cc1ccc(F)c(O)c1C(F)(F)F ZINC000575704802 384790572 /nfs/dbraw/zinc/79/05/72/384790572.db2.gz ZWKFFOHCXFRJCJ-UHFFFAOYSA-N 0 1 208.110 2.363 10 0 BEAEMN Cc1cc(-c2nc([C@@H]3CCCO3)n[nH]2)ccc1N ZINC000072236747 384843856 /nfs/dbraw/zinc/84/38/56/384843856.db2.gz UWXWXMPYROWMNC-NSHDSACASA-N 0 1 244.298 2.214 10 0 BEAEMN Cc1cc(-c2n[nH]c([C@@H]3CCCO3)n2)ccc1N ZINC000072236747 384843863 /nfs/dbraw/zinc/84/38/63/384843863.db2.gz UWXWXMPYROWMNC-NSHDSACASA-N 0 1 244.298 2.214 10 0 BEAEMN Nc1cc(-c2n[nH]c(-c3ccco3)n2)ccc1O ZINC000072237547 384846159 /nfs/dbraw/zinc/84/61/59/384846159.db2.gz XLHYPNKBIBTOSF-UHFFFAOYSA-N 0 1 242.238 2.020 10 0 BEAEMN Cc1ncc(CNCc2nc(C)ccc2O)s1 ZINC000105448438 384868151 /nfs/dbraw/zinc/86/81/51/384868151.db2.gz KZRDKBVMMQBDLJ-UHFFFAOYSA-N 0 1 249.339 2.150 10 0 BEAEMN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1cscn1 ZINC000127864358 384956101 /nfs/dbraw/zinc/95/61/01/384956101.db2.gz GSYLWRYUBBFREX-HBNTYKKESA-N 0 1 240.372 2.345 10 0 BEAEMN FC(F)n1ccnc1CN[C@@H]1CCCSC1 ZINC000129232008 385123627 /nfs/dbraw/zinc/12/36/27/385123627.db2.gz YSKGVWYRVQRARS-MRVPVSSYSA-N 0 1 247.314 2.263 10 0 BEAEMN CCc1nnc(CN(CC)C[C@@H](C)CC)n1C ZINC000177852167 385126099 /nfs/dbraw/zinc/12/60/99/385126099.db2.gz MAYBTIGNYNZYQR-NSHDSACASA-N 0 1 238.379 2.246 10 0 BEAEMN N[C@H](C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000238567263 385255502 /nfs/dbraw/zinc/25/55/02/385255502.db2.gz CUGOMQWOHYSPHT-JTQLQIEISA-N 0 1 209.676 2.260 10 0 BEAEMN CCC[C@H](C(=O)Nc1ccncc1C)N(C)C ZINC000153519380 385261987 /nfs/dbraw/zinc/26/19/87/385261987.db2.gz ZJMZMYKMDFSWII-GFCCVEGCSA-N 0 1 235.331 2.059 10 0 BEAEMN Cc1ccc([C@H](C)NCc2ccnc(N)c2)o1 ZINC000193550845 385401309 /nfs/dbraw/zinc/40/13/09/385401309.db2.gz QIHQMECTDLONFG-JTQLQIEISA-N 0 1 231.299 2.416 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1cn(C(C)C)nn1 ZINC000309443332 385584418 /nfs/dbraw/zinc/58/44/18/385584418.db2.gz ZZTMXANBMZXFAP-JQWIXIFHSA-N 0 1 222.336 2.137 10 0 BEAEMN Cc1cnc([C@@H](C)NCC[C@@H]2CCOC2)o1 ZINC000309504492 385642138 /nfs/dbraw/zinc/64/21/38/385642138.db2.gz VOBLDXDPGWCTPR-GHMZBOCLSA-N 0 1 224.304 2.060 10 0 BEAEMN C[C@@H]1c2[nH]cnc2CCN1C(=O)OC(C)(C)C ZINC000253570493 385683167 /nfs/dbraw/zinc/68/31/67/385683167.db2.gz NRCVMRHBKHPTTN-MRVPVSSYSA-N 0 1 237.303 2.264 10 0 BEAEMN c1nnc([C@H]2CCCCN2[C@H]2C=CCCC2)[nH]1 ZINC000182694639 385695780 /nfs/dbraw/zinc/69/57/80/385695780.db2.gz RTPJCMUFWGKKPA-NWDGAFQWSA-N 0 1 232.331 2.440 10 0 BEAEMN Cc1n[nH]c2c1c(C)nn2-c1ccccc1 ZINC000216052782 385856832 /nfs/dbraw/zinc/85/68/32/385856832.db2.gz HCZQRKFSDUSOFR-UHFFFAOYSA-N 0 1 212.256 2.365 10 0 BEAEMN C[N@@H+](Cc1oncc1C(=O)[O-])C1CCCCC1 ZINC000077055640 385993055 /nfs/dbraw/zinc/99/30/55/385993055.db2.gz LNOLMNMFEKOABV-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN C/C=C/[C@@H](N)c1ccc(Br)cn1 ZINC000575562941 386032036 /nfs/dbraw/zinc/03/20/36/386032036.db2.gz GMOAOUXZVICNMQ-UFUPEUMYSA-N 0 1 227.105 2.420 10 0 BEAEMN Nc1nc2cc(Cl)ccc2n1CCF ZINC000307182381 386132063 /nfs/dbraw/zinc/13/20/63/386132063.db2.gz UVNBTARJCJQVOV-UHFFFAOYSA-N 0 1 213.643 2.241 10 0 BEAEMN C[C@H]1OCC[C@@H]1NCc1cc(F)c(F)cc1F ZINC000131932723 386227440 /nfs/dbraw/zinc/22/74/40/386227440.db2.gz LNRGBKXCHKUDJD-KRTXAFLBSA-N 0 1 245.244 2.371 10 0 BEAEMN C[C@@](N)(c1ccsc1)c1cscn1 ZINC000575453839 386829518 /nfs/dbraw/zinc/82/95/18/386829518.db2.gz IVKNYRNPUYDSDX-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN c1nc2c(ncnc2N2CC[C@@H]3CCCC[C@H]32)[nH]1 ZINC000301569159 386855295 /nfs/dbraw/zinc/85/52/95/386855295.db2.gz LMNWUVDBNADKOW-VHSXEESVSA-N 0 1 243.314 2.122 10 0 BEAEMN Nc1ncnc2[nH]nc(-c3ccc(Cl)cc3)c21 ZINC000034332971 387048752 /nfs/dbraw/zinc/04/87/52/387048752.db2.gz CVFFSNDOBXFEKR-UHFFFAOYSA-N 0 1 245.673 2.256 10 0 BEAEMN Nc1[nH+]cnc2[n-]nc(-c3ccc(Cl)cc3)c21 ZINC000034332971 387048754 /nfs/dbraw/zinc/04/87/54/387048754.db2.gz CVFFSNDOBXFEKR-UHFFFAOYSA-N 0 1 245.673 2.256 10 0 BEAEMN CC(C)(C)c1[nH+]c2n(c1C(=O)[O-])CCCC2 ZINC000084014177 387155448 /nfs/dbraw/zinc/15/54/48/387155448.db2.gz YQUXGVMUGPHWLG-UHFFFAOYSA-N 0 1 222.288 2.215 10 0 BEAEMN CC(C)=C[C@@H](N)c1nn(C)cc1Br ZINC000575483244 387202643 /nfs/dbraw/zinc/20/26/43/387202643.db2.gz OXLCPSMGFPJNPL-MRVPVSSYSA-N 0 1 244.136 2.149 10 0 BEAEMN OCc1cc(O)c(Cl)cc1Br ZINC000575677121 387359662 /nfs/dbraw/zinc/35/96/62/387359662.db2.gz YYFSTDPLBMHQKU-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN O=Cc1c(O)cc(F)cc1C(F)(F)F ZINC000575704721 387408925 /nfs/dbraw/zinc/40/89/25/387408925.db2.gz ZTANMHIKWWDXOL-UHFFFAOYSA-N 0 1 208.110 2.363 10 0 BEAEMN COC(=O)c1cc(F)c(O)cc1C(F)(F)F ZINC000575714266 387419006 /nfs/dbraw/zinc/41/90/06/387419006.db2.gz NSSWTLHRWCQQAC-UHFFFAOYSA-N 0 1 238.136 2.337 10 0 BEAEMN C[C@@H]1CC[C@@]2(CS1)NCCCS2 ZINC000575534668 387573259 /nfs/dbraw/zinc/57/32/59/387573259.db2.gz LPCCPBLPJSVQSA-RKDXNWHRSA-N 0 1 203.376 2.325 10 0 BEAEMN CC(C)(O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121792980 387576326 /nfs/dbraw/zinc/57/63/26/387576326.db2.gz KQJKGQLBIAKPTH-OAHLLOKOSA-N 0 1 249.354 2.005 10 0 BEAEMN S=C1N=NC([C@@H]2CCCSCC2)O1 ZINC000575536029 387577166 /nfs/dbraw/zinc/57/71/66/387577166.db2.gz HRBLRFLRHLQNGX-ZCFIWIBFSA-N 0 1 216.331 2.359 10 0 BEAEMN C[C@@](N)(c1ccsc1)c1ccsn1 ZINC000575550718 387654454 /nfs/dbraw/zinc/65/44/54/387654454.db2.gz VUDCECNDPUNHSI-SECBINFHSA-N 0 1 210.327 2.427 10 0 BEAEMN C[C@@H](NCCCF)c1cn(-c2ccccc2)nn1 ZINC000126978801 387700392 /nfs/dbraw/zinc/70/03/92/387700392.db2.gz QGAZLMLQSLQYRH-LLVKDONJSA-N 0 1 248.305 2.278 10 0 BEAEMN C[C@]1(c2nc(-c3ccco3)no2)CCCCN1 ZINC000133862910 387801196 /nfs/dbraw/zinc/80/11/96/387801196.db2.gz XTKITKLIHGVWGY-GFCCVEGCSA-N 0 1 233.271 2.318 10 0 BEAEMN C[C@@]1(c2nc(-c3ccco3)no2)CCCCN1 ZINC000133863119 387802986 /nfs/dbraw/zinc/80/29/86/387802986.db2.gz XTKITKLIHGVWGY-LBPRGKRZSA-N 0 1 233.271 2.318 10 0 BEAEMN COc1ncnc2c1CN(CC1CCCC1)CC2 ZINC000195513004 387922403 /nfs/dbraw/zinc/92/24/03/387922403.db2.gz RCXBSSQOCBUOHG-UHFFFAOYSA-N 0 1 247.342 2.034 10 0 BEAEMN CN[C@]1(c2nc(C)cs2)CCSC1 ZINC000041060474 388018749 /nfs/dbraw/zinc/01/87/49/388018749.db2.gz QXBIRKCRYPGXLN-SECBINFHSA-N 0 1 214.359 2.003 10 0 BEAEMN CCC[C@@H]1C[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000293904556 388392624 /nfs/dbraw/zinc/39/26/24/388392624.db2.gz HNOGKCXAHBCRFF-MXWKQRLJSA-N 0 1 205.305 2.106 10 0 BEAEMN Cc1cc(C)c([C@H]2COCCN2)c(C)c1 ZINC000041213932 388433608 /nfs/dbraw/zinc/43/36/08/388433608.db2.gz LZPUGEHSXDAQHR-GFCCVEGCSA-N 0 1 205.301 2.273 10 0 BEAEMN CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374460328 388489220 /nfs/dbraw/zinc/48/92/20/388489220.db2.gz FZBZZAMXOOOVFX-MISXGVKJSA-N 0 1 247.342 2.340 10 0 BEAEMN CCC[C@@H]1Cn2c(=O)[nH]c3cccc(c32)CN1 ZINC000006381071 388593117 /nfs/dbraw/zinc/59/31/17/388593117.db2.gz QSULKPHFKMWJAK-SNVBAGLBSA-N 0 1 231.299 2.014 10 0 BEAEMN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000123980730 388659063 /nfs/dbraw/zinc/65/90/63/388659063.db2.gz DHGSUCUQUGDXSC-KWQFWETISA-N 0 1 237.274 2.450 10 0 BEAEMN CC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000126257778 388692717 /nfs/dbraw/zinc/69/27/17/388692717.db2.gz IMBZCRTZVQLVNM-UHFFFAOYSA-N 0 1 219.288 2.430 10 0 BEAEMN CCC[C@H](C(=O)OCC)N1CCCSCC1 ZINC000129297018 388830043 /nfs/dbraw/zinc/83/00/43/388830043.db2.gz NJVTWNJPDZXGEC-LLVKDONJSA-N 0 1 245.388 2.157 10 0 BEAEMN Cc1ccnc(N2CCC[C@@H](C)C2)c1N ZINC000036245159 132341364 /nfs/dbraw/zinc/34/13/64/132341364.db2.gz WYWFLVFSQCOQBV-SECBINFHSA-N 0 1 205.305 2.209 10 0 BEAEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C1CC=CC1 ZINC000336002531 134047801 /nfs/dbraw/zinc/04/78/01/134047801.db2.gz LBNCUEKFHYQLSD-OCCSQVGLSA-N 0 1 248.370 2.038 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@H]1C1CCC1 ZINC000170872503 134253895 /nfs/dbraw/zinc/25/38/95/134253895.db2.gz WCJSKVMNRNTEEE-ZDUSSCGKSA-N 0 1 248.374 2.371 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@@H]1C1CCC1 ZINC000170872502 134254297 /nfs/dbraw/zinc/25/42/97/134254297.db2.gz WCJSKVMNRNTEEE-CYBMUJFWSA-N 0 1 248.374 2.371 10 0 BEAEMN CC(C)=CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177767356 134300030 /nfs/dbraw/zinc/30/00/30/134300030.db2.gz PAGXCEORVJFZDY-CYBMUJFWSA-N 0 1 208.349 2.123 10 0 BEAEMN Cc1cncc(NC(=O)[C@@H](N)c2ccccc2)c1 ZINC000226400088 134365355 /nfs/dbraw/zinc/36/53/55/134365355.db2.gz VSFNNINOQXFTFU-ZDUSSCGKSA-N 0 1 241.294 2.029 10 0 BEAEMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000185589694 134381837 /nfs/dbraw/zinc/38/18/37/134381837.db2.gz QSLUOQLRIRVVCQ-CMPLNLGQSA-N 0 1 248.374 2.313 10 0 BEAEMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(C2CC2)n1C ZINC000185589694 134381838 /nfs/dbraw/zinc/38/18/38/134381838.db2.gz QSLUOQLRIRVVCQ-CMPLNLGQSA-N 0 1 248.374 2.313 10 0 BEAEMN C[C@@H](NCc1cncnc1)c1cccc(O)c1 ZINC000054767837 134769666 /nfs/dbraw/zinc/76/96/66/134769666.db2.gz DUQGRNIKGAKDSH-SNVBAGLBSA-N 0 1 229.283 2.033 10 0 BEAEMN Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263546949 135359681 /nfs/dbraw/zinc/35/96/81/135359681.db2.gz HTPQGQDHJFRSNI-SMDDNHRTSA-N 0 1 246.310 2.081 10 0 BEAEMN Cc1nc(CNC2C3CC4CC(C3)CC2C4)no1 ZINC000231771595 135634724 /nfs/dbraw/zinc/63/47/24/135634724.db2.gz AGHLYGZTMUFZHM-UHFFFAOYSA-N 0 1 247.342 2.292 10 0 BEAEMN C[C@H](COCc1ccccc1)NCc1ncc[nH]1 ZINC000174619637 397765177 /nfs/dbraw/zinc/76/51/77/397765177.db2.gz ASJVOXMYVRMMIJ-GFCCVEGCSA-N 0 1 245.326 2.105 10 0 BEAEMN CN[C@@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231995776 397988205 /nfs/dbraw/zinc/98/82/05/397988205.db2.gz JIFQPFSGWLLHPP-QMMMGPOBSA-N 0 1 211.692 2.439 10 0 BEAEMN CC(C)[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594013 167028929 /nfs/dbraw/zinc/02/89/29/167028929.db2.gz WSZCUVSLLMOKAB-GFCCVEGCSA-N 0 1 219.284 2.079 10 0 BEAEMN C[C@H]1CC(C)(C)C[C@]1(N)C(=O)OC(C)(C)C ZINC000521400302 487611017 /nfs/dbraw/zinc/61/10/17/487611017.db2.gz DTLQHSDBHQTSBR-TVQRCGJNSA-N 0 1 227.348 2.482 10 0 BEAEMN Brc1ccc([C@H]2NCCO2)cc1 ZINC000034469649 166099741 /nfs/dbraw/zinc/09/97/41/166099741.db2.gz ZZBVKILSICMDOH-VIFPVBQESA-N 0 1 228.089 2.068 10 0 BEAEMN Brc1csc([C@H]2CNCCO2)c1 ZINC000071562665 166106899 /nfs/dbraw/zinc/10/68/99/166106899.db2.gz SHDVYRHLIPBJQY-SSDOTTSWSA-N 0 1 248.145 2.172 10 0 BEAEMN CC(C)[N@H+]1CC[C@H](Nc2ccc(C(=O)[O-])cc2)C1 ZINC000045651195 167025495 /nfs/dbraw/zinc/02/54/95/167025495.db2.gz MAHNUADSUVTBTO-ZDUSSCGKSA-N 0 1 248.326 2.279 10 0 BEAEMN CC(C)NCC(=O)c1ccc(F)c(F)c1F ZINC000082542702 167096949 /nfs/dbraw/zinc/09/69/49/167096949.db2.gz IIALAPFVHTUKRI-UHFFFAOYSA-N 0 1 231.217 2.285 10 0 BEAEMN CC(C)[NH2+]Cc1cc(C[N@H+]2CC[C@H](C)C2)on1 ZINC000052484451 167117265 /nfs/dbraw/zinc/11/72/65/167117265.db2.gz HDMWISKKNSAFRP-NSHDSACASA-N 0 1 237.347 2.014 10 0 BEAEMN CC(C)OCCN1Cc2cccc(N)c2C1 ZINC000049260251 167237227 /nfs/dbraw/zinc/23/72/27/167237227.db2.gz CHCIOEJPFJNQMU-UHFFFAOYSA-N 0 1 220.316 2.009 10 0 BEAEMN CC(C)Oc1ccc([C@@H]2COCCN2)cc1 ZINC000071523220 167299819 /nfs/dbraw/zinc/29/98/19/167299819.db2.gz VTUOYNGWGJLVTQ-ZDUSSCGKSA-N 0 1 221.300 2.135 10 0 BEAEMN Cc1ccc(N2N=C3CCC[C@H]3C2=O)cc1 ZINC000104707293 410948478 /nfs/dbraw/zinc/94/84/78/410948478.db2.gz GRFOSCCWRNVYLE-LLVKDONJSA-N 0 1 214.268 2.498 10 0 BEAEMN Cc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1 ZINC000104707293 410948486 /nfs/dbraw/zinc/94/84/86/410948486.db2.gz GRFOSCCWRNVYLE-LLVKDONJSA-N 0 1 214.268 2.498 10 0 BEAEMN FC(F)(F)c1ccnc(N2CCCCN2)c1 ZINC000400212830 411151819 /nfs/dbraw/zinc/15/18/19/411151819.db2.gz RCGSASKDGOHVRB-UHFFFAOYSA-N 0 1 231.221 2.205 10 0 BEAEMN O=C1CNc2cc(Br)ccc21 ZINC000238017535 411277854 /nfs/dbraw/zinc/27/78/54/411277854.db2.gz OWYSVEDQOBNXQY-UHFFFAOYSA-N 0 1 212.046 2.057 10 0 BEAEMN CC1(C)CC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000304197399 411352323 /nfs/dbraw/zinc/35/23/23/411352323.db2.gz XQYYWBMIMBNNIS-UHFFFAOYSA-N 0 1 234.299 2.012 10 0 BEAEMN CC(C)[C@@H](N)C(=O)OC1CCC(C)CC1 ZINC000048633018 168167033 /nfs/dbraw/zinc/16/70/33/168167033.db2.gz SRAWSIGDLXNAHP-VQXHTEKXSA-N 0 1 213.321 2.092 10 0 BEAEMN CCC(=O)c1ccccc1OCCN(C)C ZINC000003621470 168259689 /nfs/dbraw/zinc/25/96/89/168259689.db2.gz HFTXHBKTFPQXAF-UHFFFAOYSA-N 0 1 221.300 2.220 10 0 BEAEMN Cc1nc([C@H](C)NC2CC(CO)C2)c(C)s1 ZINC000658357557 411419032 /nfs/dbraw/zinc/41/90/32/411419032.db2.gz VUBYGKUKCLCYKB-ARTQYDKTSA-N 0 1 240.372 2.181 10 0 BEAEMN CC[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000032021560 170127363 /nfs/dbraw/zinc/12/73/63/170127363.db2.gz BFQKGGSXVHUQQY-UHFFFAOYSA-N 0 1 230.105 2.264 10 0 BEAEMN CCNCc1csc(C2CCOCC2)n1 ZINC000052176190 170130244 /nfs/dbraw/zinc/13/02/44/170130244.db2.gz OFTHMRJHTKPYRH-UHFFFAOYSA-N 0 1 226.345 2.147 10 0 BEAEMN CCNCc1csc(N2CCC[C@H](C)C2)n1 ZINC000062214913 170131090 /nfs/dbraw/zinc/13/10/90/170131090.db2.gz WELOWIMEVBMICX-JTQLQIEISA-N 0 1 239.388 2.489 10 0 BEAEMN CCNCc1nc(N2CCCC2)ccc1Cl ZINC000051399094 170131649 /nfs/dbraw/zinc/13/16/49/170131649.db2.gz KAJDTRCEQWABRH-UHFFFAOYSA-N 0 1 239.750 2.445 10 0 BEAEMN CCN[C@@H](C)c1csc(CCOC)n1 ZINC000070841372 170143318 /nfs/dbraw/zinc/14/33/18/170143318.db2.gz LOOCSBDGZHYREC-QMMMGPOBSA-N 0 1 214.334 2.003 10 0 BEAEMN CCN[C@H](c1nccn1C)c1ccccc1 ZINC000041048651 170148934 /nfs/dbraw/zinc/14/89/34/170148934.db2.gz CVXRPGANVFLDBN-LBPRGKRZSA-N 0 1 215.300 2.119 10 0 BEAEMN CCN[C@@H](c1cncnc1)c1ccccc1OC ZINC000052886894 170149952 /nfs/dbraw/zinc/14/99/52/170149952.db2.gz ICKQNVISORANNK-AWEZNQCLSA-N 0 1 243.310 2.184 10 0 BEAEMN CCN[C@H](C)c1csc(CCOC)n1 ZINC000070841380 170160309 /nfs/dbraw/zinc/16/03/09/170160309.db2.gz LOOCSBDGZHYREC-MRVPVSSYSA-N 0 1 214.334 2.003 10 0 BEAEMN CCN[C@]1(c2nccs2)CCCSC1 ZINC000061590725 170170247 /nfs/dbraw/zinc/17/02/47/170170247.db2.gz JCRRIOZRRLVCSY-SNVBAGLBSA-N 0 1 228.386 2.475 10 0 BEAEMN CCOC(=O)[C@@]1(N)C[C@@H](C)CC(C)(C)C1 ZINC000037459917 170263593 /nfs/dbraw/zinc/26/35/93/170263593.db2.gz MXBISIMZUWCNIY-JOYOIKCWSA-N 0 1 213.321 2.093 10 0 BEAEMN CCOC(=O)[C@@]1(N)CCCC[C@@H]1C(C)(C)C ZINC000037459851 170263605 /nfs/dbraw/zinc/26/36/05/170263605.db2.gz IQOZBAVSFTZLKZ-ZWNOBZJWSA-N 0 1 227.348 2.483 10 0 BEAEMN CCOC(=O)[C@]1(N)CCCC[C@H]1C(C)(C)C ZINC000037459852 170285740 /nfs/dbraw/zinc/28/57/40/170285740.db2.gz IQOZBAVSFTZLKZ-GWCFXTLKSA-N 0 1 227.348 2.483 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662212379 412027176 /nfs/dbraw/zinc/02/71/76/412027176.db2.gz OVLKGXGFBJXNRB-OUAUKWLOSA-N 0 1 213.321 2.074 10 0 BEAEMN CC[C@@H]1CSC(NCc2csc(C)n2)=N1 ZINC000049534296 171114363 /nfs/dbraw/zinc/11/43/63/171114363.db2.gz YDFRUCVZFHOQAP-MRVPVSSYSA-N 0 1 241.385 2.423 10 0 BEAEMN CC[C@@](N)(c1noc(C(C)C)n1)C(C)C ZINC000037755134 171193738 /nfs/dbraw/zinc/19/37/38/171193738.db2.gz VYEBKLWVHCEGTA-NSHDSACASA-N 0 1 211.309 2.413 10 0 BEAEMN CC[C@H](C)CN(C)CC(=O)Nc1cccc(N)c1 ZINC000037172349 171272251 /nfs/dbraw/zinc/27/22/51/171272251.db2.gz ONPVCVICOVXOEV-NSHDSACASA-N 0 1 249.358 2.185 10 0 BEAEMN CC[C@H](C)N(C)C(=O)c1[nH]nc2ccc(N)cc21 ZINC000048278031 171304492 /nfs/dbraw/zinc/30/44/92/171304492.db2.gz QRDULZXJDCTJCD-QMMMGPOBSA-N 0 1 246.314 2.016 10 0 BEAEMN CC[C@H](C)OC(=O)[C@@H](N)C1CCCCC1 ZINC000038037217 171351005 /nfs/dbraw/zinc/35/10/05/171351005.db2.gz XNTGYWBKUMFLNX-ONGXEEELSA-N 0 1 213.321 2.236 10 0 BEAEMN CC[C@H](C)[C@@](C)(N)c1noc(C2CC2)n1 ZINC000037745404 171381942 /nfs/dbraw/zinc/38/19/42/171381942.db2.gz BPMUVEFWILSULA-WRWORJQWSA-N 0 1 209.293 2.167 10 0 BEAEMN CC[C@H](C)[C@H](N)c1noc(C(F)(F)F)n1 ZINC000041050418 171398190 /nfs/dbraw/zinc/39/81/90/171398190.db2.gz ZUYQUEAIWDLFDM-WHFBIAKZSA-N 0 1 223.198 2.134 10 0 BEAEMN CCc1ccccc1-c1nnc(NN)s1 ZINC000027998623 171870304 /nfs/dbraw/zinc/87/03/04/171870304.db2.gz WUBBWGTWOAJIIN-UHFFFAOYSA-N 0 1 220.301 2.053 10 0 BEAEMN CCc1nc([C@](C)(N)C2CCCCC2)no1 ZINC000037367382 172008530 /nfs/dbraw/zinc/00/85/30/172008530.db2.gz SQAKQXRKIWKGHX-GFCCVEGCSA-N 0 1 223.320 2.386 10 0 BEAEMN CCc1[nH]c2c(cc(Br)cc2N)[nH+]1 ZINC000082327989 172008900 /nfs/dbraw/zinc/00/89/00/172008900.db2.gz RXPQCXVUOQHAHK-UHFFFAOYSA-N 0 1 240.104 2.470 10 0 BEAEMN CCc1nc2cc(Br)cc(N)c2[nH]1 ZINC000082327989 172008901 /nfs/dbraw/zinc/00/89/01/172008901.db2.gz RXPQCXVUOQHAHK-UHFFFAOYSA-N 0 1 240.104 2.470 10 0 BEAEMN CCc1noc(C2(N)CCC(CC)CC2)n1 ZINC000041038592 172082616 /nfs/dbraw/zinc/08/26/16/172082616.db2.gz IDNGZSIFBICITM-UHFFFAOYSA-N 0 1 223.320 2.386 10 0 BEAEMN CCn1cccc1CNCc1cccnc1 ZINC000085608486 172207917 /nfs/dbraw/zinc/20/79/17/172207917.db2.gz KAUAITVKZYKSOD-UHFFFAOYSA-N 0 1 215.300 2.193 10 0 BEAEMN CCn1ccnc1NCc1ccccc1N ZINC000050614451 172227459 /nfs/dbraw/zinc/22/74/59/172227459.db2.gz DURKYASURZCIQQ-UHFFFAOYSA-N 0 1 216.288 2.097 10 0 BEAEMN CCn1ccnc1[C@H](N)c1cccc(N(C)C)c1 ZINC000011735826 172229211 /nfs/dbraw/zinc/22/92/11/172229211.db2.gz YGRRKGBVIGVFAL-CYBMUJFWSA-N 0 1 244.342 2.017 10 0 BEAEMN CCn1ccnc1[C@@H](N)c1ccccc1C ZINC000011735287 172229542 /nfs/dbraw/zinc/22/95/42/172229542.db2.gz ISGUMRYZGHFDOP-LBPRGKRZSA-N 0 1 215.300 2.260 10 0 BEAEMN CN1CC[C@@H](Oc2cc(N)ccc2Cl)C1 ZINC000066347700 173127582 /nfs/dbraw/zinc/12/75/82/173127582.db2.gz SXOQPNTZRMVGBT-SECBINFHSA-N 0 1 226.707 2.005 10 0 BEAEMN CN1CCc2nc([C@H](N)C(C)(C)C)sc2C1 ZINC000041059682 173172873 /nfs/dbraw/zinc/17/28/73/173172873.db2.gz WNHFODHAXFTTMI-JTQLQIEISA-N 0 1 239.388 2.177 10 0 BEAEMN CN1CCc2nc(-c3cccc(N)c3)sc2C1 ZINC000036912354 173174946 /nfs/dbraw/zinc/17/49/46/173174946.db2.gz ZFDLAHKCUDGEAT-UHFFFAOYSA-N 0 1 245.351 2.380 10 0 BEAEMN CN1C[C@@H]2C[C@]2(c2ccc(F)c(F)c2)C1 ZINC000034894426 173189795 /nfs/dbraw/zinc/18/97/95/173189795.db2.gz WXIVKHRXEAQSCE-JOYOIKCWSA-N 0 1 209.239 2.168 10 0 BEAEMN CNCc1nc(N2CC[C@H](C)C2)ccc1Cl ZINC000051448295 173394294 /nfs/dbraw/zinc/39/42/94/173394294.db2.gz HMEWURVWYBKXFO-VIFPVBQESA-N 0 1 239.750 2.301 10 0 BEAEMN CNCc1ncc(-c2ccccc2OC)o1 ZINC000077325982 173397183 /nfs/dbraw/zinc/39/71/83/173397183.db2.gz FOEOMHUBGHNEKR-UHFFFAOYSA-N 0 1 218.256 2.070 10 0 BEAEMN CNCc1ncc(-c2ccc(F)cc2)o1 ZINC000033853291 173397468 /nfs/dbraw/zinc/39/74/68/173397468.db2.gz QPYKFYCGBJIASF-UHFFFAOYSA-N 0 1 206.220 2.200 10 0 BEAEMN CNCc1ncc(-c2cc(OC)ccc2OC)o1 ZINC000077420114 173397679 /nfs/dbraw/zinc/39/76/79/173397679.db2.gz NAHHSPALRZGWPD-UHFFFAOYSA-N 0 1 248.282 2.078 10 0 BEAEMN COCC(C)(C)CN[C@@H](C)c1ncc(C)o1 ZINC000336767603 174074014 /nfs/dbraw/zinc/07/40/14/174074014.db2.gz PTOOLWJIINHTCV-JTQLQIEISA-N 0 1 226.320 2.306 10 0 BEAEMN COCCCn1c(N)nc2cc(Cl)ccc21 ZINC000036890092 174266726 /nfs/dbraw/zinc/26/67/26/174266726.db2.gz WXCOFYQIBMYMHF-UHFFFAOYSA-N 0 1 239.706 2.308 10 0 BEAEMN COCCN(Cc1cc(F)ccc1N)C1CC1 ZINC000042517314 174299109 /nfs/dbraw/zinc/29/91/09/174299109.db2.gz VACFTSWALLAHIG-UHFFFAOYSA-N 0 1 238.306 2.019 10 0 BEAEMN COCCN1CC=C(c2cccs2)CC1 ZINC000117895704 174303819 /nfs/dbraw/zinc/30/38/19/174303819.db2.gz LDYIJCXYKUPDBE-UHFFFAOYSA-N 0 1 223.341 2.484 10 0 BEAEMN COCCNC1=N[C@@]2(CS1)CCC[C@@H](C)C2 ZINC000053098590 174330522 /nfs/dbraw/zinc/33/05/22/174330522.db2.gz YRHJNJSCQNSKQZ-PWSUYJOCSA-N 0 1 242.388 2.274 10 0 BEAEMN COCCNCc1nc2c(s1)CCCCC2 ZINC000045205948 174337486 /nfs/dbraw/zinc/33/74/86/174337486.db2.gz LYQHURZBTNBTBE-UHFFFAOYSA-N 0 1 240.372 2.148 10 0 BEAEMN COc1ccc(C(=O)[C@@H](C)NC2CC2)c(OC)c1 ZINC000077427782 175065397 /nfs/dbraw/zinc/06/53/97/175065397.db2.gz BCNPOIZVBMVWCV-SECBINFHSA-N 0 1 249.310 2.027 10 0 BEAEMN COc1ccc(C(=O)[C@H](C)NC2CC2)c(OC)c1 ZINC000077427779 175066092 /nfs/dbraw/zinc/06/60/92/175066092.db2.gz BCNPOIZVBMVWCV-VIFPVBQESA-N 0 1 249.310 2.027 10 0 BEAEMN COc1ccc(C)cc1-c1cc(=O)[nH][nH]1 ZINC000082532048 175071400 /nfs/dbraw/zinc/07/14/00/175071400.db2.gz ZIRXUVNNHIHBQQ-UHFFFAOYSA-N 0 1 204.229 2.099 10 0 BEAEMN COc1ccc(C)cc1C(=O)C1(N)CCCC1 ZINC000011630610 175072840 /nfs/dbraw/zinc/07/28/40/175072840.db2.gz LMOSQXNQVHRNCE-UHFFFAOYSA-N 0 1 233.311 2.458 10 0 BEAEMN COc1ccc(Cl)c(N[C@@H]2CCN(C)C2)c1 ZINC000061989675 175118395 /nfs/dbraw/zinc/11/83/95/175118395.db2.gz MFXNQILZKOWBLC-SECBINFHSA-N 0 1 240.734 2.465 10 0 BEAEMN COc1ccc(OC)c(C(=O)[C@H]2CCCCN2)c1 ZINC000058327620 175164196 /nfs/dbraw/zinc/16/41/96/175164196.db2.gz MPVRDCUSGVJHQM-GFCCVEGCSA-N 0 1 249.310 2.029 10 0 BEAEMN COc1ccc([C@@H]2CSCCN2)c(OC)c1 ZINC000041282387 175184748 /nfs/dbraw/zinc/18/47/48/175184748.db2.gz HHDSZHZDCRZLJJ-NSHDSACASA-N 0 1 239.340 2.081 10 0 BEAEMN COc1ccc2c(c1)c(O)cn2C(C)=O ZINC000145244838 175217899 /nfs/dbraw/zinc/21/78/99/175217899.db2.gz PZXOWEYOGUQVBZ-UHFFFAOYSA-N 0 1 205.213 2.016 10 0 BEAEMN COc1ccc2cc[nH+]c(N[C@H](C)C(=O)[O-])c2c1 ZINC000082766029 175226812 /nfs/dbraw/zinc/22/68/12/175226812.db2.gz DEHZHRRWIFUQHU-MRVPVSSYSA-N 0 1 246.266 2.128 10 0 BEAEMN COc1ccc2nc(Br)[nH]c2c1 ZINC000089195007 175226961 /nfs/dbraw/zinc/22/69/61/175226961.db2.gz YMOFUEPKIWAVFT-UHFFFAOYSA-N 0 1 227.061 2.334 10 0 BEAEMN COc1ccc2nc([C@H](C)N)sc2c1 ZINC000075403766 175229899 /nfs/dbraw/zinc/22/98/99/175229899.db2.gz GVLKGGOYAOTINC-LURJTMIESA-N 0 1 208.286 2.325 10 0 BEAEMN COc1cccc(CNCc2ccc(O)cc2)n1 ZINC000083372622 175266069 /nfs/dbraw/zinc/26/60/69/175266069.db2.gz NYHPSOXPPGOYQN-UHFFFAOYSA-N 0 1 244.294 2.086 10 0 BEAEMN COc1ccccc1CNCc1ccc[nH]1 ZINC000048409018 175330477 /nfs/dbraw/zinc/33/04/77/175330477.db2.gz APOZOIOZUCRORC-UHFFFAOYSA-N 0 1 216.284 2.313 10 0 BEAEMN COc1ccccc1[C@@H](C)NCc1cnc[nH]1 ZINC000054763458 175344823 /nfs/dbraw/zinc/34/48/23/175344823.db2.gz IMVPHKJZMPCELN-SNVBAGLBSA-N 0 1 231.299 2.269 10 0 BEAEMN COc1nc(Cl)c(CNC(C)C)s1 ZINC000045206326 175392159 /nfs/dbraw/zinc/39/21/59/175392159.db2.gz CYPQZSSTNRCURM-UHFFFAOYSA-N 0 1 220.725 2.303 10 0 BEAEMN C[C@@H](c1cccc(N)c1)N1CCOC[C@H]1C ZINC000040908164 176017650 /nfs/dbraw/zinc/01/76/50/176017650.db2.gz KOMSFGSCYBWTOK-MNOVXSKESA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@@H](c1ccco1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000082249714 176033178 /nfs/dbraw/zinc/03/31/78/176033178.db2.gz IKQFBOLXUTZYBN-UWVGGRQHSA-N 0 1 223.272 2.137 10 0 BEAEMN C[C@@H](c1nccs1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083404195 176038907 /nfs/dbraw/zinc/03/89/07/176038907.db2.gz DEYRKDJKGNULEA-IUCAKERBSA-N 0 1 240.328 2.001 10 0 BEAEMN C[C@@H]1CC(C)(C)C[C@@](N)(c2ncon2)C1 ZINC000036762103 176052440 /nfs/dbraw/zinc/05/24/40/176052440.db2.gz VSWUSITZJMVUPS-LDYMZIIASA-N 0 1 209.293 2.070 10 0 BEAEMN C[C@@H]1CCCCN1CC(=O)Nc1ccccc1N ZINC000022152043 176069092 /nfs/dbraw/zinc/06/90/92/176069092.db2.gz WMBHPABDWBBKSX-LLVKDONJSA-N 0 1 247.342 2.082 10 0 BEAEMN C[C@@H]1CC[C@@H](NC(=O)CN(C)C)c2ccccc21 ZINC000124829427 176210228 /nfs/dbraw/zinc/21/02/28/176210228.db2.gz DJHRVXPZNRMBMQ-BXUZGUMPSA-N 0 1 246.354 2.303 10 0 BEAEMN C[C@@H]1CN([C@H]2CNc3ccccc3C2)C[C@@H](C)O1 ZINC000037761074 176317653 /nfs/dbraw/zinc/31/76/53/176317653.db2.gz HEOWVDLDMRJWBO-YRGRVCCFSA-N 0 1 246.354 2.132 10 0 BEAEMN C[C@@H]1COC[C@@H](C)N1CC[C@H](O)c1ccccc1 ZINC000290540466 176347154 /nfs/dbraw/zinc/34/71/54/176347154.db2.gz ZVTIDFMWJBKAJM-NFAWXSAZSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000003744977 177034513 /nfs/dbraw/zinc/03/45/13/177034513.db2.gz QOYDHTDFPCHZHF-BXKDBHETSA-N 0 1 237.274 2.436 10 0 BEAEMN C[C@H]1CCC(=O)[C@@H](CN2CCOCC2(C)C)C1 ZINC000053929952 177068711 /nfs/dbraw/zinc/06/87/11/177068711.db2.gz GUKIQYXEPATGTN-NWDGAFQWSA-N 0 1 239.359 2.103 10 0 BEAEMN C[C@H]1CCC(=O)[C@H](CN2CCOCC2(C)C)C1 ZINC000053929948 177068825 /nfs/dbraw/zinc/06/88/25/177068825.db2.gz GUKIQYXEPATGTN-RYUDHWBXSA-N 0 1 239.359 2.103 10 0 BEAEMN C[C@H]1CCCC[C@]1(N)C(=O)OC(C)(C)C ZINC000041038357 177090254 /nfs/dbraw/zinc/09/02/54/177090254.db2.gz QQMSPLHHUQXYNS-JOYOIKCWSA-N 0 1 213.321 2.236 10 0 BEAEMN C[C@@H](C(=O)Nc1ccccc1N)N1CCC[C@@H]1C ZINC000037909918 177111885 /nfs/dbraw/zinc/11/18/85/177111885.db2.gz LHMKHXVRXNICKL-QWRGUYRKSA-N 0 1 247.342 2.080 10 0 BEAEMN C[C@@H](CC(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)(C)C ZINC000225167098 177217717 /nfs/dbraw/zinc/21/77/17/177217717.db2.gz WDIXRAPXDIIKIX-SDDRHHMPSA-N 0 1 240.391 2.268 10 0 BEAEMN C[C@H]1CN(Cc2cccc3c2NCC3)C[C@H](C)O1 ZINC000130464066 177265313 /nfs/dbraw/zinc/26/53/13/177265313.db2.gz USNYHOKYPURHIL-RYUDHWBXSA-N 0 1 246.354 2.264 10 0 BEAEMN C[C@@H](c1cccc(N)c1)N1CCO[C@@H](C)C1 ZINC000040908046 177273443 /nfs/dbraw/zinc/27/34/43/177273443.db2.gz WQSHQYYYYAXGRT-QWRGUYRKSA-N 0 1 220.316 2.051 10 0 BEAEMN C[C@H]1CNC[C@@H](c2c(F)cccc2F)O1 ZINC000036673309 177286046 /nfs/dbraw/zinc/28/60/46/177286046.db2.gz FGNSIBYOQDJJOR-XVKPBYJWSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1CCc1ccccc1 ZINC000120918024 177298487 /nfs/dbraw/zinc/29/84/87/177298487.db2.gz KJTUVJMVEZQKJO-BETUJISGSA-N 0 1 219.328 2.338 10 0 BEAEMN C[C@@H]1C[C@H](C)C[N@H+](CC(C)(C)C(=O)[O-])C1 ZINC000011799626 177313616 /nfs/dbraw/zinc/31/36/16/177313616.db2.gz CFXWINRBZFFKPH-AOOOYVTPSA-N 0 1 213.321 2.075 10 0 BEAEMN C[C@H]1C[C@@H](OC(=O)C(C)(C)N)CC(C)(C)C1 ZINC000040951796 177338273 /nfs/dbraw/zinc/33/82/73/177338273.db2.gz FWUUHWLEPDUNRY-VHSXEESVSA-N 0 1 227.348 2.482 10 0 BEAEMN C[C@H]1C[C@H](OC(=O)C(C)(C)N)CC(C)(C)C1 ZINC000040951792 177374373 /nfs/dbraw/zinc/37/43/73/177374373.db2.gz FWUUHWLEPDUNRY-UWVGGRQHSA-N 0 1 227.348 2.482 10 0 BEAEMN C[C@H]1C[C@H](c2ccsc2)C[N@H+]1CC(=O)[O-] ZINC000363259647 177375637 /nfs/dbraw/zinc/37/56/37/177375637.db2.gz PSIFWVVGJXWGNP-WPRPVWTQSA-N 0 1 225.313 2.011 10 0 BEAEMN C[C@H]1C[C@H]1C[N@@H+](C)c1ccc(N)c(C(=O)[O-])c1 ZINC000104414014 177379383 /nfs/dbraw/zinc/37/93/83/177379383.db2.gz FEDGUVHBSDDSSN-IUCAKERBSA-N 0 1 234.299 2.059 10 0 BEAEMN CN(C)/C=C/c1ccncc1Br ZINC000498051116 226330431 /nfs/dbraw/zinc/33/04/31/226330431.db2.gz TVJKEAUSTLSWRY-GQCTYLIASA-N 0 1 227.105 2.376 10 0 BEAEMN C1[C@@H]2C[C@@H](c3nc([C@@H]4CCCN4)no3)C[C@H]12 ZINC000251208497 487750041 /nfs/dbraw/zinc/75/00/41/487750041.db2.gz LBLXQAQYULCOCA-JXUBOQSCSA-N 0 1 219.288 2.008 10 0 BEAEMN CC[C@@H](C)[N@@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000304175014 487844471 /nfs/dbraw/zinc/84/44/71/487844471.db2.gz MYDWIZIJYGIPLT-SNVBAGLBSA-N 0 1 236.315 2.400 10 0 BEAEMN O=c1[nH]c(C2CCCC2)ncc1Br ZINC000085449433 643751436 /nfs/dbraw/zinc/75/14/36/643751436.db2.gz KDVIBJRVHWLORL-UHFFFAOYSA-N 0 1 243.104 2.190 10 0 BEAEMN CCCCN(CC)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000220515257 487988174 /nfs/dbraw/zinc/98/81/74/487988174.db2.gz POHHDEICDYCSDL-NSHDSACASA-N 0 1 249.358 2.163 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000300224918 487505352 /nfs/dbraw/zinc/50/53/52/487505352.db2.gz PVSAMJHVSMDOLB-AAEUAGOBSA-N 0 1 227.348 2.464 10 0 BEAEMN CCO[C@H]1C[C@H](N(C)Cc2cncnc2)C1(C)C ZINC000129949044 490183687 /nfs/dbraw/zinc/18/36/87/490183687.db2.gz XMKLHAIQMQRHAH-STQMWFEESA-N 0 1 249.358 2.112 10 0 BEAEMN CCC[C@H](N)c1noc(C(F)(F)Cl)n1 ZINC000095532814 521122060 /nfs/dbraw/zinc/12/20/60/521122060.db2.gz BZQUUPMIBGWJCU-BYPYZUCNSA-N 0 1 225.626 2.158 10 0 BEAEMN Cc1cccc(CN2CC[C@@H]3C[C@@H](C)O[C@@H]3C2)n1 ZINC000503718564 534711508 /nfs/dbraw/zinc/71/15/08/534711508.db2.gz GDUVXQZJDDWPBZ-UMVBOHGHSA-N 0 1 246.354 2.389 10 0 BEAEMN CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181174790 535228426 /nfs/dbraw/zinc/22/84/26/535228426.db2.gz YMSSTFUFXFOZEP-CDCCAWJDSA-N 0 1 248.330 2.215 10 0 BEAEMN CCOCCCN[C@@H](C)c1ncc(C)o1 ZINC000220883168 535550040 /nfs/dbraw/zinc/55/00/40/535550040.db2.gz BGOYOGMXORZZEP-JTQLQIEISA-N 0 1 212.293 2.060 10 0 BEAEMN CC(C(=O)C(C)(F)F)=C(O)[C@H]1C[C@H]1C ZINC000321702732 566482877 /nfs/dbraw/zinc/48/28/77/566482877.db2.gz DKTSUKDJLDDREX-QYNIQEEDSA-N 0 1 204.216 2.072 10 0 BEAEMN COc1cc(OC)c([C@H](N)CF)cc1Cl ZINC000757133569 582509515 /nfs/dbraw/zinc/50/95/15/582509515.db2.gz JXWNPSZLCJLHKS-MRVPVSSYSA-N 0 1 233.670 2.327 10 0 BEAEMN COc1cc(OC)c([C@@H](N)CF)cc1Cl ZINC000757133573 582509683 /nfs/dbraw/zinc/50/96/83/582509683.db2.gz JXWNPSZLCJLHKS-QMMMGPOBSA-N 0 1 233.670 2.327 10 0 BEAEMN c1ccc([C@H]2CCO[C@]3(CCCOC3)N2)cc1 ZINC000757143277 582523297 /nfs/dbraw/zinc/52/32/97/582523297.db2.gz VUORFAGZNIMXQU-KGLIPLIRSA-N 0 1 233.311 2.244 10 0 BEAEMN CC(C)[C@@H]1CCC[C@@]2(C1)NC1(COC1)CCO2 ZINC000757152608 582537449 /nfs/dbraw/zinc/53/74/49/582537449.db2.gz UTYAVWVNLTYSSW-TZMCWYRMSA-N 0 1 239.359 2.308 10 0 BEAEMN Cc1cn2c(n1)NC[C@H](c1ccccc1)C2 ZINC000236044942 582637145 /nfs/dbraw/zinc/63/71/45/582637145.db2.gz CZCIJUONZSGUPV-LBPRGKRZSA-N 0 1 213.284 2.401 10 0 BEAEMN CCn1cc([C@H]2NCCc3sccc32)cn1 ZINC000397162292 583098562 /nfs/dbraw/zinc/09/85/62/583098562.db2.gz WDDKNUPCPIDMOH-GFCCVEGCSA-N 0 1 233.340 2.200 10 0 BEAEMN C[C@@H](C(=O)[C@H]1CC1(C)C)C(=O)C(C)(F)F ZINC000397573379 583102358 /nfs/dbraw/zinc/10/23/58/583102358.db2.gz FLEDBZXCPZHXTL-NKWVEPMBSA-N 0 1 218.243 2.462 10 0 BEAEMN Cc1cc(CC(=O)[C@H](C)N)ccc1Cl ZINC000757161495 586432033 /nfs/dbraw/zinc/43/20/33/586432033.db2.gz VXWMAZSYFMATFL-QMMMGPOBSA-N 0 1 211.692 2.107 10 0 BEAEMN CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2c(C)cccc2C)C1 ZINC000757185775 586434161 /nfs/dbraw/zinc/43/41/61/586434161.db2.gz CPCYQTKDYCMGTK-QWHCGFSZSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[C@H]1CCC[C@@H](NC(=O)c2cnccc2N)C1 ZINC000128045443 590884541 /nfs/dbraw/zinc/88/45/41/590884541.db2.gz GXLXTGZXJUZONS-WDEREUQCSA-N 0 1 247.342 2.362 10 0 BEAEMN Cc1nnc([C@H](C)N[C@H]2CCCSC2)s1 ZINC000135009752 591972139 /nfs/dbraw/zinc/97/21/39/591972139.db2.gz LAVGHVCSDPQBLS-CBAPKCEASA-N 0 1 243.401 2.393 10 0 BEAEMN CN[C@H](C)c1nc(-c2ccc(C)s2)no1 ZINC000258154106 634580255 /nfs/dbraw/zinc/58/02/55/634580255.db2.gz WKLUGPLRCGVILQ-SSDOTTSWSA-N 0 1 223.301 2.387 10 0 BEAEMN CC(C)(C)C(=O)CCN1CCSCC1 ZINC000054026373 635327000 /nfs/dbraw/zinc/32/70/00/635327000.db2.gz DCYOQHXEKHDPLR-UHFFFAOYSA-N 0 1 215.362 2.041 10 0 BEAEMN C[C@@H](NCc1c[nH]cn1)c1ccc2c(c1)CCO2 ZINC000112344677 631883338 /nfs/dbraw/zinc/88/33/38/631883338.db2.gz FQMFQYMLIBMFLI-SNVBAGLBSA-N 0 1 243.310 2.195 10 0 BEAEMN COc1cccc([C@H](CO)NC/C=C\Cl)c1 ZINC000309916583 633935736 /nfs/dbraw/zinc/93/57/36/633935736.db2.gz PRCVRDPEEZDXFC-RYBZSIHZSA-N 0 1 241.718 2.071 10 0 BEAEMN CO[C@@H]1CC[C@@H](N[C@@H](C)c2ncc(C)o2)C1 ZINC000309941505 633965287 /nfs/dbraw/zinc/96/52/87/633965287.db2.gz BUESIIWGWMIWLY-HBNTYKKESA-N 0 1 224.304 2.201 10 0 BEAEMN CC(C)c1cnc(CN[C@H](C)[C@@H](C)O)s1 ZINC000336773581 635288440 /nfs/dbraw/zinc/28/84/40/635288440.db2.gz YZCVCNZRDLEJIA-RKDXNWHRSA-N 0 1 228.361 2.125 10 0 BEAEMN CN[C@@H](C)c1nc(C2CCCCC2)nn1C ZINC000054699325 640321682 /nfs/dbraw/zinc/32/16/82/640321682.db2.gz KJIJQYILGYRGIG-VIFPVBQESA-N 0 1 222.336 2.143 10 0 BEAEMN CN[C@H](C)c1nc(C2CCCCC2)nn1C ZINC000054699326 640322141 /nfs/dbraw/zinc/32/21/41/640322141.db2.gz KJIJQYILGYRGIG-SECBINFHSA-N 0 1 222.336 2.143 10 0 BEAEMN [O-]c1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1F ZINC000232349177 641266057 /nfs/dbraw/zinc/26/60/57/641266057.db2.gz LSTVFKRROSVLLI-VIFPVBQESA-N 0 1 249.245 2.006 10 0 BEAEMN c1cc2c(s1)[C@@H](c1ccccn1)NCC2 ZINC000084483327 641359209 /nfs/dbraw/zinc/35/92/09/641359209.db2.gz IWZXWOZLIZBWKD-LLVKDONJSA-N 0 1 216.309 2.378 10 0 BEAEMN CC(C)Oc1cccc(CNCc2cn[nH]c2)c1 ZINC000040640652 641535029 /nfs/dbraw/zinc/53/50/29/641535029.db2.gz UCZMNMWDBQLHEU-UHFFFAOYSA-N 0 1 245.326 2.487 10 0 BEAEMN CCC[C@@H](N)c1ncc(Br)cn1 ZINC000070948064 643086508 /nfs/dbraw/zinc/08/65/08/643086508.db2.gz ZKQBQNSHBBIIFX-SSDOTTSWSA-N 0 1 230.109 2.039 10 0 BEAEMN N[C@@H](CF)c1ccc(F)cc1OC(F)F ZINC000757136025 643277678 /nfs/dbraw/zinc/27/76/78/643277678.db2.gz YCLGKFZCOHWCSU-ZETCQYMHSA-N 0 1 223.169 2.396 10 0 BEAEMN COC(=O)/C=C1/CN(Cc2ccccc2)C[C@H]1C ZINC000757190701 643363220 /nfs/dbraw/zinc/36/32/20/643363220.db2.gz BVIYJUYHSUABAO-UGMNDJHYSA-N 0 1 245.322 2.238 10 0 BEAEMN Cc1cccc(C)c1[C@H]1C[N@@H+](C)C[C@H]1C(=O)[O-] ZINC000757192398 643364945 /nfs/dbraw/zinc/36/49/45/643364945.db2.gz OFUAAVGNPKKJNG-NWDGAFQWSA-N 0 1 233.311 2.033 10 0 BEAEMN CC[C@H]1OCC[C@H]1C(=O)NOCc1ccccc1 ZINC000234141526 643519374 /nfs/dbraw/zinc/51/93/74/643519374.db2.gz ZJTDVKVPTZFPTN-CHWSQXEVSA-N 0 1 249.310 2.050 10 0 BEAEMN CCc1nc(CN[C@H]2CCC[C@@H]2OC)cs1 ZINC000049948601 643564974 /nfs/dbraw/zinc/56/49/74/643564974.db2.gz KCBJUIAGSXECAA-QWRGUYRKSA-N 0 1 240.372 2.363 10 0 BEAEMN CCc1nnc(CN2CCCCCCC2)n1C ZINC000195011676 644355877 /nfs/dbraw/zinc/35/58/77/644355877.db2.gz NFGWFVPWJQMBAB-UHFFFAOYSA-N 0 1 236.363 2.144 10 0 BEAEMN COC(CN[C@@H](C)c1ccc(C)c(F)c1)OC ZINC000094837420 644731241 /nfs/dbraw/zinc/73/12/41/644731241.db2.gz FSLHQOUBWVFKQP-JTQLQIEISA-N 0 1 241.306 2.404 10 0 BEAEMN C[C@H](C(N)=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000251526753 644807795 /nfs/dbraw/zinc/80/77/95/644807795.db2.gz LZERGYSUKJRHIJ-RKDXNWHRSA-N 0 1 240.734 2.207 10 0 BEAEMN Cc1cccc([C@H](O)CN2CC[C@H](F)C2)c1 ZINC000701713950 712027874 /nfs/dbraw/zinc/02/78/74/712027874.db2.gz RKVBDEBMYBPTGT-QWHCGFSZSA-N 0 1 223.291 2.072 10 0 BEAEMN CO[C@@H]1CC[C@@H](N[C@H](C)c2ncc(C)o2)C1 ZINC000309941504 711701551 /nfs/dbraw/zinc/70/15/51/711701551.db2.gz BUESIIWGWMIWLY-GMTAPVOTSA-N 0 1 224.304 2.201 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701518313 712025122 /nfs/dbraw/zinc/02/51/22/712025122.db2.gz RTMROSPCZJTJCB-MDZLAQPJSA-N 0 1 225.332 2.218 10 0 BEAEMN Cc1cccc([C@H](O)CN2CC[C@@H](F)C2)c1 ZINC000701713948 712027741 /nfs/dbraw/zinc/02/77/41/712027741.db2.gz RKVBDEBMYBPTGT-CHWSQXEVSA-N 0 1 223.291 2.072 10 0 BEAEMN C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC000715438108 712383775 /nfs/dbraw/zinc/38/37/75/712383775.db2.gz COAQOPFGFNPELG-FOUMNBMASA-N 0 1 237.343 2.075 10 0 BEAEMN CCc1nc(CNC2CC(COC)C2)cs1 ZINC000713931994 712473728 /nfs/dbraw/zinc/47/37/28/712473728.db2.gz WJMXOHIENCTKNL-UHFFFAOYSA-N 0 1 240.372 2.220 10 0 BEAEMN C[C@H](N[C@@H]1C[C@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921442 712542593 /nfs/dbraw/zinc/54/25/93/712542593.db2.gz LHIGZQLOMHSYLX-WCFLWFBJSA-N 0 1 242.326 2.022 10 0 BEAEMN CC(C)(CO)NCc1nc2ccccc2s1 ZINC000037977670 712793727 /nfs/dbraw/zinc/79/37/27/712793727.db2.gz CKFDBNVYCKHTIY-UHFFFAOYSA-N 0 1 236.340 2.157 10 0 BEAEMN C[C@H](N[C@@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595221 712856668 /nfs/dbraw/zinc/85/66/68/712856668.db2.gz JUIUYZXMRBPONE-NWDGAFQWSA-N 0 1 234.347 2.355 10 0 BEAEMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000694537628 968944556 /nfs/dbraw/zinc/94/45/56/968944556.db2.gz GAGMFTXMUZRSNU-VXGBXAGGSA-N 0 1 225.332 2.218 10 0 BEAEMN CC1=CCC[N@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC000695157044 976784785 /nfs/dbraw/zinc/78/47/85/976784785.db2.gz ZBQFAUPBYBOJKC-LLVKDONJSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@@H](CNc1cc(C(=O)[O-])cc[nH+]1)CC(F)F ZINC000697683186 976858071 /nfs/dbraw/zinc/85/80/71/976858071.db2.gz FIEQOWYLIJGQAE-SSDOTTSWSA-N 0 1 244.241 2.483 10 0 BEAEMN O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000689422779 954659723 /nfs/dbraw/zinc/65/97/23/954659723.db2.gz LSIWCWZFZMTGOY-GFCCVEGCSA-N 0 1 237.274 2.319 10 0 BEAEMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000689422779 954659728 /nfs/dbraw/zinc/65/97/28/954659728.db2.gz LSIWCWZFZMTGOY-GFCCVEGCSA-N 0 1 237.274 2.319 10 0 BEAEMN CC(C)SCC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000710527946 955028439 /nfs/dbraw/zinc/02/84/39/955028439.db2.gz PRZLKEVGJYZNHC-QWRGUYRKSA-N 0 1 245.388 2.171 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1(C(C)C)CC1 ZINC000687533012 968879394 /nfs/dbraw/zinc/87/93/94/968879394.db2.gz CRRPJGGCQXMJLQ-SNVBAGLBSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1coc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000718053330 969097576 /nfs/dbraw/zinc/09/75/76/969097576.db2.gz PWUGNAYRLJPWRR-GFCCVEGCSA-N 0 1 223.272 2.027 10 0 BEAEMN Cc1coc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000718084716 969099451 /nfs/dbraw/zinc/09/94/51/969099451.db2.gz BFUMEBKMMCXVLS-PWSUYJOCSA-N 0 1 237.299 2.131 10 0 BEAEMN O=C([O-])c1cc(C[NH2+]Cc2ccco2)cs1 ZINC000689076475 976205564 /nfs/dbraw/zinc/20/55/64/976205564.db2.gz FWTDWBBHYPLPCG-UHFFFAOYSA-N 0 1 237.280 2.329 10 0 BEAEMN C[C@@]1(CNc2cc(C(=O)[O-])cc[nH+]2)CC1(F)F ZINC000689312198 976250014 /nfs/dbraw/zinc/25/00/14/976250014.db2.gz NBQWHUYWZWSLFR-JTQLQIEISA-N 0 1 242.225 2.237 10 0 BEAEMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](F)C2)s1 ZINC000689413008 976252632 /nfs/dbraw/zinc/25/26/32/976252632.db2.gz AGIUFGBNEIJZDU-MRVPVSSYSA-N 0 1 243.303 2.380 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](F)C2)s1 ZINC000689413008 976252644 /nfs/dbraw/zinc/25/26/44/976252644.db2.gz AGIUFGBNEIJZDU-MRVPVSSYSA-N 0 1 243.303 2.380 10 0 BEAEMN Cc1ccc(CCNc2cc(C(=O)[O-])cc[nH+]2)o1 ZINC000689722683 976261408 /nfs/dbraw/zinc/26/14/08/976261408.db2.gz JDYJGIKENJZUHD-UHFFFAOYSA-N 0 1 246.266 2.336 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@H+]1CC(C)(C)C1(C)C ZINC000690229193 976281179 /nfs/dbraw/zinc/28/11/79/976281179.db2.gz VLVMTLWNCJOTEM-TWGQIWQCSA-N 0 1 211.305 2.138 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000693358183 976601342 /nfs/dbraw/zinc/60/13/42/976601342.db2.gz KLKCUJAHJCJFEA-ZCFIWIBFSA-N 0 1 247.216 2.009 10 0 BEAEMN CC1=CCC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC000695157047 976785942 /nfs/dbraw/zinc/78/59/42/976785942.db2.gz ZBQFAUPBYBOJKC-NSHDSACASA-N 0 1 211.305 2.138 10 0 BEAEMN O=C([O-])c1ccoc1C[N@H+]1CCCC2(CC2)C1 ZINC000695118318 976780259 /nfs/dbraw/zinc/78/02/59/976780259.db2.gz GHOCQBRXSYZGAQ-UHFFFAOYSA-N 0 1 235.283 2.354 10 0 BEAEMN Cc1[nH+]c(NCC(C)(F)F)ccc1C(=O)[O-] ZINC000697591162 976852039 /nfs/dbraw/zinc/85/20/39/976852039.db2.gz FQMANNVDXSAXSC-UHFFFAOYSA-N 0 1 230.214 2.155 10 0 BEAEMN C/C(=C/C(=O)[O-])C[N@@H+]1CCCC[C@@H](C)C1 ZINC000703658696 977174490 /nfs/dbraw/zinc/17/44/90/977174490.db2.gz LPXYUKGOQLKUPU-PAKSIRSJSA-N 0 1 211.305 2.139 10 0 BEAEMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000706323502 977312422 /nfs/dbraw/zinc/31/24/22/977312422.db2.gz CLFMPFDAGQQYOI-IUCAKERBSA-N 0 1 235.274 2.217 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000706732189 977359256 /nfs/dbraw/zinc/35/92/56/977359256.db2.gz KWLCLWPYAHCTMH-ZJUUUORDSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000706732188 977359342 /nfs/dbraw/zinc/35/93/42/977359342.db2.gz KWLCLWPYAHCTMH-VHSXEESVSA-N 0 1 219.284 2.225 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1C ZINC000706736449 977360417 /nfs/dbraw/zinc/36/04/17/977360417.db2.gz XIOHKVIPBDMWII-RKDXNWHRSA-N 0 1 237.274 2.364 10 0 BEAEMN Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)oc1C(=O)[O-] ZINC000706912048 977367690 /nfs/dbraw/zinc/36/76/90/977367690.db2.gz CYKFINDLRMNMHI-IUCAKERBSA-N 0 1 223.272 2.126 10 0 BEAEMN C/C(=C/C[N@H+]1CCC12CCCC2)C(=O)[O-] ZINC000707307896 977383141 /nfs/dbraw/zinc/38/31/41/977383141.db2.gz UPRKBYLFAJGSFG-WMZJFQQLSA-N 0 1 209.289 2.036 10 0 BEAEMN CC(C)CC[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710246498 977497383 /nfs/dbraw/zinc/49/73/83/977497383.db2.gz WESKQKVAUWIHAX-JQWIXIFHSA-N 0 1 213.321 2.075 10 0 BEAEMN CC[C@H](C)C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711663193 977564868 /nfs/dbraw/zinc/56/48/68/977564868.db2.gz KNGVDPQZEPHIJJ-LOWVWBTDSA-N 0 1 225.332 2.362 10 0 BEAEMN CCc1[nH+]c(C)cn1Cc1cc(C(=O)[O-])co1 ZINC000714450524 977674735 /nfs/dbraw/zinc/67/47/35/977674735.db2.gz SJPXIVSAOYCQHG-UHFFFAOYSA-N 0 1 234.255 2.093 10 0 BEAEMN Cc1coc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000718051922 977935207 /nfs/dbraw/zinc/93/52/07/977935207.db2.gz JZMCVRAGKHWZJB-LLVKDONJSA-N 0 1 223.272 2.027 10 0 BEAEMN Cc1coc(C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000718052622 977935705 /nfs/dbraw/zinc/93/57/05/977935705.db2.gz MHDLBEQHAUHXFN-UHFFFAOYSA-N 0 1 225.288 2.273 10 0 BEAEMN Cc1coc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000722621454 978152734 /nfs/dbraw/zinc/15/27/34/978152734.db2.gz PXCGHSQPBFJCKZ-GHMZBOCLSA-N 0 1 237.299 2.131 10 0 BEAEMN CC[C@H](C)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722693331 978164039 /nfs/dbraw/zinc/16/40/39/978164039.db2.gz NOLQVVXGGUSFPH-IRCOFANPSA-N 0 1 227.348 2.464 10 0 BEAEMN CCN1CCC(=O)[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955094 538900245 /nfs/dbraw/zinc/90/02/45/538900245.db2.gz SUYQGVMPHXQSPK-NTZNESFSSA-N 0 1 209.333 2.476 10 0 BEAEMN C[C@@H](COCC(F)(F)CN)C1CCC1 ZINC000685955390 538901180 /nfs/dbraw/zinc/90/11/80/538901180.db2.gz DAJPTDDOHAHNOC-QMMMGPOBSA-N 0 1 207.264 2.033 10 0 BEAEMN C[C@@H]1CCCC[C@H]1OCC(F)(F)CN ZINC000685956498 538902632 /nfs/dbraw/zinc/90/26/32/538902632.db2.gz VOGUYJIVHGPBRE-RKDXNWHRSA-N 0 1 207.264 2.176 10 0 BEAEMN CCCC(=O)[C@H](N)[C@H](C)OCc1ccccc1 ZINC000685961365 538908601 /nfs/dbraw/zinc/90/86/01/538908601.db2.gz HDHRTZUEDDHLJU-SMDDNHRTSA-N 0 1 235.327 2.288 10 0 BEAEMN CC[C@@H](C)n1cc2c(n1)[C@H](C)NC(=S)O2 ZINC000685965944 538911042 /nfs/dbraw/zinc/91/10/42/538911042.db2.gz ZWVALEULAZFPCY-RQJHMYQMSA-N 0 1 225.317 2.182 10 0 BEAEMN CC(=O)c1nn([C@H](C)C(C)(C)C)cc1O ZINC000685965342 538911749 /nfs/dbraw/zinc/91/17/49/538911749.db2.gz AKBNQLVVFCEJBK-MRVPVSSYSA-N 0 1 210.277 2.398 10 0 BEAEMN Cc1cc(CNCc2ccco2)ccc1N ZINC000040407632 178026491 /nfs/dbraw/zinc/02/64/91/178026491.db2.gz ZIVUEQDNPSTXFR-UHFFFAOYSA-N 0 1 216.284 2.460 10 0 BEAEMN Cc1cc(N)ccc1NC(=O)CN1CCC[C@H]1C ZINC000037909682 178105283 /nfs/dbraw/zinc/10/52/83/178105283.db2.gz DIGZPIWTUCIOTM-LLVKDONJSA-N 0 1 247.342 2.000 10 0 BEAEMN Cc1cc(N)ccc1NC(=O)[C@H](C)N1CCCC1 ZINC000022153272 178105610 /nfs/dbraw/zinc/10/56/10/178105610.db2.gz KQGKJHKVGKOGJX-NSHDSACASA-N 0 1 247.342 2.000 10 0 BEAEMN COc1csc([C@H](N)c2ccc[nH]2)c1 ZINC000306815644 398206376 /nfs/dbraw/zinc/20/63/76/398206376.db2.gz CWKVNIKBFICTTK-SNVBAGLBSA-N 0 1 208.286 2.133 10 0 BEAEMN Cc1cc([C@H](C)N[C@@H](C)[C@H]2CCCO2)no1 ZINC000279555601 178253594 /nfs/dbraw/zinc/25/35/94/178253594.db2.gz JSVSHTWPZAVFRZ-JBLDHEPKSA-N 0 1 224.304 2.201 10 0 BEAEMN Cc1cc([C@H](C)N[C@H](C)[C@H]2CCCO2)no1 ZINC000279555600 178258106 /nfs/dbraw/zinc/25/81/06/178258106.db2.gz JSVSHTWPZAVFRZ-HOSYDEDBSA-N 0 1 224.304 2.201 10 0 BEAEMN Cc1[nH]ncc1CNC(=O)C[C@@H](C)C(C)(C)C ZINC000111617652 398240026 /nfs/dbraw/zinc/24/00/26/398240026.db2.gz WFVBGZYBPUFRKO-SECBINFHSA-N 0 1 237.347 2.407 10 0 BEAEMN CCCCCC(=O)C=C(O)[C@@H]1CCOC1 ZINC000229650870 538939952 /nfs/dbraw/zinc/93/99/52/538939952.db2.gz RVZDBDBUPVPADG-SNVBAGLBSA-N 0 1 212.289 2.132 10 0 BEAEMN Cc1[nH]c(CN)nc1-c1ccc(C)cc1 ZINC000036870958 178334512 /nfs/dbraw/zinc/33/45/12/178334512.db2.gz UQGDDYBREKRDBN-UHFFFAOYSA-N 0 1 201.273 2.152 10 0 BEAEMN CCC(CC)[N@@H+](CCOC)[C@H](CC)CC(=O)[O-] ZINC000062755689 168376458 /nfs/dbraw/zinc/37/64/58/168376458.db2.gz ZFDHDBSKVWMQNS-GFCCVEGCSA-N 0 1 245.363 2.377 10 0 BEAEMN CCOC(=O)N1CCCC[C@@H]1c1cnc[nH]1 ZINC000616613266 349609333 /nfs/dbraw/zinc/60/93/33/349609333.db2.gz SFBBYJUNWCUZRJ-SNVBAGLBSA-N 0 1 223.276 2.093 10 0 BEAEMN CC[C@H](N)C(=O)c1ccc(Cl)cc1F ZINC000226542753 342773125 /nfs/dbraw/zinc/77/31/25/342773125.db2.gz WKPRHJMJEGJGNF-VIFPVBQESA-N 0 1 215.655 2.399 10 0 BEAEMN C[C@H]1CSCCN1[C@@H]1CCCCCC1=O ZINC000069761251 342839718 /nfs/dbraw/zinc/83/97/18/342839718.db2.gz PTDABVQXBKVNPG-WDEREUQCSA-N 0 1 227.373 2.326 10 0 BEAEMN C[C@@H]1C[C@H](C)SC(NCC(F)F)=N1 ZINC000165036947 342871122 /nfs/dbraw/zinc/87/11/22/342871122.db2.gz CLMUOGVXBDPENI-RITPCOANSA-N 0 1 208.277 2.111 10 0 BEAEMN CC[C@@H](O)CN1CCCC[C@H]1c1nccs1 ZINC000173757772 346873093 /nfs/dbraw/zinc/87/30/93/346873093.db2.gz BEMXGWBWSVXCLE-MNOVXSKESA-N 0 1 240.372 2.441 10 0 BEAEMN CNc1c(N)cnc2c(C)c(Cl)ccc21 ZINC000584881835 343083241 /nfs/dbraw/zinc/08/32/41/343083241.db2.gz CWYSZORMJVWKEF-UHFFFAOYSA-N 0 1 221.691 2.242 10 0 BEAEMN CC(C)(C)c1nnc(COc2ccccc2N)[nH]1 ZINC000072237501 343088624 /nfs/dbraw/zinc/08/86/24/343088624.db2.gz YOMVIFOPEBGDFH-UHFFFAOYSA-N 0 1 246.314 2.263 10 0 BEAEMN CC(C)(C)c1nc(COc2ccccc2N)n[nH]1 ZINC000072237501 343088626 /nfs/dbraw/zinc/08/86/26/343088626.db2.gz YOMVIFOPEBGDFH-UHFFFAOYSA-N 0 1 246.314 2.263 10 0 BEAEMN Nc1c2ccc(F)cc2nc2c1[C@H](O)CCC2 ZINC000014946468 343135960 /nfs/dbraw/zinc/13/59/60/343135960.db2.gz GHPCZOLZFWUXCH-LLVKDONJSA-N 0 1 232.258 2.326 10 0 BEAEMN O=C(N=c1nc[nH]s1)Oc1ccccc1 ZINC000148224923 343196280 /nfs/dbraw/zinc/19/62/80/343196280.db2.gz LIHFGCUMGIXYDB-UHFFFAOYSA-N 0 1 221.241 2.149 10 0 BEAEMN C[C@@H](NCc1cnn(-c2ccccc2)n1)C1CC1 ZINC000035136715 343286384 /nfs/dbraw/zinc/28/63/84/343286384.db2.gz UFXSKKYCWVRASO-LLVKDONJSA-N 0 1 242.326 2.155 10 0 BEAEMN CC(C)Oc1ccc(CNCc2cn[nH]c2)cc1 ZINC000038006231 343365247 /nfs/dbraw/zinc/36/52/47/343365247.db2.gz MWZPJSPNFPVMNU-UHFFFAOYSA-N 0 1 245.326 2.487 10 0 BEAEMN C[C@H](C[N@H+]1CCN(C)CC1(C)C)C(F)(F)F ZINC000335643481 136303719 /nfs/dbraw/zinc/30/37/19/136303719.db2.gz FZYLWDMXOKAXSB-SECBINFHSA-N 0 1 238.297 2.211 10 0 BEAEMN CCN(CC(=O)NC(C)(C)C)Cc1ccccc1 ZINC000042976214 343461113 /nfs/dbraw/zinc/46/11/13/343461113.db2.gz DBMPGDVQKVZHAR-UHFFFAOYSA-N 0 1 248.370 2.423 10 0 BEAEMN Nc1ccc2[nH]c(CCc3cccnc3)nc2c1 ZINC000044556814 343507019 /nfs/dbraw/zinc/50/70/19/343507019.db2.gz HQXIQGBGHBUYSF-UHFFFAOYSA-N 0 1 238.294 2.325 10 0 BEAEMN Cc1cc(O)ccc1CCCCc1cn[nH]n1 ZINC000204455530 343569092 /nfs/dbraw/zinc/56/90/92/343569092.db2.gz KUOYUUHRGCPTSV-UHFFFAOYSA-N 0 1 231.299 2.384 10 0 BEAEMN CCn1cc([C@H]2NCCc3ccsc32)cn1 ZINC000712536734 537788769 /nfs/dbraw/zinc/78/87/69/537788769.db2.gz KCQHKYCXEDGCBX-LLVKDONJSA-N 0 1 233.340 2.200 10 0 BEAEMN C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)[C@@H]2C(=O)[O-] ZINC000204771645 343590202 /nfs/dbraw/zinc/59/02/02/343590202.db2.gz SJXVXOFDCKAWDE-DGAVXFQQSA-N 0 1 245.322 2.338 10 0 BEAEMN COC(=O)C1C(=O)CCc2c(OC)cccc21 ZINC000205702037 343645589 /nfs/dbraw/zinc/64/55/89/343645589.db2.gz JTOPLWHAEWQFDC-UHFFFAOYSA-N 0 1 234.251 2.084 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1cccnc1 ZINC000409427146 343800275 /nfs/dbraw/zinc/80/02/75/343800275.db2.gz HREFKYSMHFBDLD-NEPJUHHUSA-N 0 1 234.299 2.082 10 0 BEAEMN CCc1[nH]nc(C2CCCC2)c1C(=O)OC ZINC000409440590 343853083 /nfs/dbraw/zinc/85/30/83/343853083.db2.gz NKMMHEQDNBPGGX-UHFFFAOYSA-N 0 1 222.288 2.416 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(F)F)C1 ZINC000409433397 343832705 /nfs/dbraw/zinc/83/27/05/343832705.db2.gz YEEPSCZVBTUDQZ-BDAKNGLRSA-N 0 1 235.274 2.217 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](CC)C1CCSCC1 ZINC000409435953 343836394 /nfs/dbraw/zinc/83/63/94/343836394.db2.gz XLURHAIZYMJCTN-JTQLQIEISA-N 0 1 231.361 2.067 10 0 BEAEMN CN(C)c1nc([C@@H]2CCCCN2)cs1 ZINC000165733319 343970721 /nfs/dbraw/zinc/97/07/21/343970721.db2.gz YILIWMXEEGXMGM-QMMMGPOBSA-N 0 1 211.334 2.024 10 0 BEAEMN C[C@@H]1/C(=C\C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309904652 343975439 /nfs/dbraw/zinc/97/54/39/343975439.db2.gz PVXBEGUDSPVQEG-NASPGAHYSA-N 0 1 231.295 2.292 10 0 BEAEMN C[C@H]1/C(=C\C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309904650 343975445 /nfs/dbraw/zinc/97/54/45/343975445.db2.gz PVXBEGUDSPVQEG-KWJWQAOWSA-N 0 1 231.295 2.292 10 0 BEAEMN C[C@H]1SCC[C@]12NCC[C@@H](C)S2 ZINC000235332755 343955603 /nfs/dbraw/zinc/95/56/03/343955603.db2.gz RFAIRHLRQXDYIU-IWSPIJDZSA-N 0 1 203.376 2.323 10 0 BEAEMN O=c1[nH]cnc(NCc2ccccc2)c1Cl ZINC000165709470 343965218 /nfs/dbraw/zinc/96/52/18/343965218.db2.gz VHPPZFLCEXFXJR-UHFFFAOYSA-N 0 1 235.674 2.035 10 0 BEAEMN CN[C@@]1(c2nccs2)CCS[C@H]1C ZINC000234443722 343966452 /nfs/dbraw/zinc/96/64/52/343966452.db2.gz VRMOKNWSYUUGBK-CBAPKCEASA-N 0 1 214.359 2.083 10 0 BEAEMN CC1(C)CN([C@H]2CCCCC2=O)CCS1 ZINC000135214945 343968690 /nfs/dbraw/zinc/96/86/90/343968690.db2.gz GDQBUFLMEXYMRU-JTQLQIEISA-N 0 1 227.373 2.326 10 0 BEAEMN C[C@H]1C[C@@H](C(F)(F)F)n2ccnc2N1 ZINC000235713902 344064665 /nfs/dbraw/zinc/06/46/65/344064665.db2.gz GQXRHBQJLRNERR-WDSKDSINSA-N 0 1 205.183 2.191 10 0 BEAEMN CSC[C@@H](C)Nc1ccc(N)c(C)n1 ZINC000127241802 344064728 /nfs/dbraw/zinc/06/47/28/344064728.db2.gz WZDKRWQJMRSTDI-SSDOTTSWSA-N 0 1 211.334 2.136 10 0 BEAEMN C[C@H]1CC[C@@H](Nc2nc[nH]c(=O)c2Cl)C1 ZINC000165980267 344264311 /nfs/dbraw/zinc/26/43/11/344264311.db2.gz URJOUDOENAJFHY-NKWVEPMBSA-N 0 1 227.695 2.024 10 0 BEAEMN C[N@H+]1CCC[C@@H]1c1ccccc1C(=O)[O-] ZINC000013480285 362430764 /nfs/dbraw/zinc/43/07/64/362430764.db2.gz PURIRTNUIAQQNH-LLVKDONJSA-N 0 1 205.257 2.152 10 0 BEAEMN CCOC(=O)c1c(O)c(Cl)ccc1C#N ZINC000396144703 344617661 /nfs/dbraw/zinc/61/76/61/344617661.db2.gz PVWAPELWBQOLHL-UHFFFAOYSA-N 0 1 225.631 2.094 10 0 BEAEMN CC[N@H+]1CC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000221343211 344733957 /nfs/dbraw/zinc/73/39/57/344733957.db2.gz SZNKROCWUOZFOH-GFCCVEGCSA-N 0 1 219.284 2.194 10 0 BEAEMN CC[N@H+]1CC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000221342885 344734072 /nfs/dbraw/zinc/73/40/72/344734072.db2.gz BBVKLMILJHBUHF-LBPRGKRZSA-N 0 1 219.284 2.194 10 0 BEAEMN Cc1ccc(N(CCC(=O)[O-])C(C)C)[nH+]c1 ZINC000071719302 178702102 /nfs/dbraw/zinc/70/21/02/178702102.db2.gz WBPRNSOHNFTUNT-UHFFFAOYSA-N 0 1 222.288 2.080 10 0 BEAEMN Oc1ccc([C@@H]2NCCS2)cc1Cl ZINC000050522979 344706374 /nfs/dbraw/zinc/70/63/74/344706374.db2.gz VQCINHIXIHFANQ-SECBINFHSA-N 0 1 215.705 2.381 10 0 BEAEMN Cc1cc([C@@H]2NCCc3nc[nH]c32)cs1 ZINC000400570645 537861009 /nfs/dbraw/zinc/86/10/09/537861009.db2.gz QFQTUJPHECVMRG-JTQLQIEISA-N 0 1 219.313 2.015 10 0 BEAEMN C[C@@H]1C[C@H](C(F)(F)F)n2ccnc2N1 ZINC000235395637 344901444 /nfs/dbraw/zinc/90/14/44/344901444.db2.gz GQXRHBQJLRNERR-PHDIDXHHSA-N 0 1 205.183 2.191 10 0 BEAEMN CCNCc1ncc(Cl)cc1Cl ZINC000238267749 345005144 /nfs/dbraw/zinc/00/51/44/345005144.db2.gz UWCBEFPVLFAJJS-UHFFFAOYSA-N 0 1 205.088 2.498 10 0 BEAEMN C[C@H]1CCC[C@@H](CN2CCC(=O)CC2)C1 ZINC000235678133 345029232 /nfs/dbraw/zinc/02/92/32/345029232.db2.gz FVEYWUUVLZVRRH-NWDGAFQWSA-N 0 1 209.333 2.478 10 0 BEAEMN NCc1nc(Cl)ccc1OC(F)(F)F ZINC000238587118 345083037 /nfs/dbraw/zinc/08/30/37/345083037.db2.gz VZDLETMUZUQESP-UHFFFAOYSA-N 0 1 226.585 2.092 10 0 BEAEMN C[N@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000250650811 345484955 /nfs/dbraw/zinc/48/49/55/345484955.db2.gz WQDFALBSBODLEE-ONGXEEELSA-N 0 1 239.702 2.417 10 0 BEAEMN C[C@@H](NC(=O)C(F)(F)F)c1ccccc1N ZINC000229556122 345724595 /nfs/dbraw/zinc/72/45/95/345724595.db2.gz BCVDNJAJGOAIDT-ZCFIWIBFSA-N 0 1 232.205 2.008 10 0 BEAEMN O=C([O-])c1c[nH+]cn1[C@@H]1CCc2ccccc21 ZINC000218438329 345851886 /nfs/dbraw/zinc/85/18/86/345851886.db2.gz MGXSUVMYCSZCPI-LLVKDONJSA-N 0 1 228.251 2.117 10 0 BEAEMN Cc1nccnc1C1=NC(=S)SC1 ZINC000235835769 345944815 /nfs/dbraw/zinc/94/48/15/345944815.db2.gz SSLNWWNYQAZWKT-UHFFFAOYSA-N 0 1 209.299 2.197 10 0 BEAEMN C[C@@H]1CCC[C@@H](C)N1N=c1nc[nH]s1 ZINC000148300672 346034953 /nfs/dbraw/zinc/03/49/53/346034953.db2.gz PRMZPKZPZPGXPM-HTQZYQBOSA-N 0 1 212.322 2.128 10 0 BEAEMN Cc1cccc(-n2ncc(CNC(C)C)n2)c1 ZINC000051174758 179002102 /nfs/dbraw/zinc/00/21/02/179002102.db2.gz FSOIQKRVPSCLOM-UHFFFAOYSA-N 0 1 230.315 2.074 10 0 BEAEMN CN1Cc2ccc(NC[C@@H](O)C(C)(C)C)cc2C1 ZINC000574912379 346410103 /nfs/dbraw/zinc/41/01/03/346410103.db2.gz AFEPNULPNDYEKH-CQSZACIVSA-N 0 1 248.370 2.451 10 0 BEAEMN COC(=O)[C@@H]1CCC[C@H](c2ccccc2)C1=O ZINC000168771058 346743208 /nfs/dbraw/zinc/74/32/08/346743208.db2.gz SZKVDOPDAHZUIS-VXGBXAGGSA-N 0 1 232.279 2.312 10 0 BEAEMN Cc1cccc([C@@H](N)c2nccn2C)c1C ZINC000041042405 179186070 /nfs/dbraw/zinc/18/60/70/179186070.db2.gz FLGSXXFADCSEBN-GFCCVEGCSA-N 0 1 215.300 2.085 10 0 BEAEMN C1=C(CCN2CCOCC2)c2ccccc2C1 ZINC000039170443 347182662 /nfs/dbraw/zinc/18/26/62/347182662.db2.gz TWCPUZDOUYMPKA-UHFFFAOYSA-N 0 1 229.323 2.348 10 0 BEAEMN Cc1cccc2oc(CNC3CC3)nc21 ZINC000038052715 179232919 /nfs/dbraw/zinc/23/29/19/179232919.db2.gz HNLRQHGCPGJHDQ-UHFFFAOYSA-N 0 1 202.257 2.388 10 0 BEAEMN Cc1cccc2sc([C@@H]3CNCCO3)nc21 ZINC000083105550 179234253 /nfs/dbraw/zinc/23/42/53/179234253.db2.gz JXDUDGONQMUDER-VIFPVBQESA-N 0 1 234.324 2.266 10 0 BEAEMN C[C@@H]([N@H+]1CCC[C@]1(C)C(=O)[O-])C1(C)CC1 ZINC000251507046 362883417 /nfs/dbraw/zinc/88/34/17/362883417.db2.gz IDDCFQUBSJCLIF-BXKDBHETSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](C1CC1)[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251586966 362888333 /nfs/dbraw/zinc/88/83/33/362888333.db2.gz NZLOHCRJOAQWGC-KOLCDFICSA-N 0 1 211.305 2.114 10 0 BEAEMN CCN(C)Cc1ccc(N)cc1Br ZINC000037460464 348615029 /nfs/dbraw/zinc/61/50/29/348615029.db2.gz ZUEWXBNQEGEERQ-UHFFFAOYSA-N 0 1 243.148 2.483 10 0 BEAEMN COc1ccc(F)cc1C(=O)c1ccc(CN)o1 ZINC000041302747 187429047 /nfs/dbraw/zinc/42/90/47/187429047.db2.gz QUKVRCGJNPYABH-UHFFFAOYSA-N 0 1 249.241 2.117 10 0 BEAEMN CC(=O)c1cccc(-c2cnc(CN)s2)c1 ZINC000616579142 349131367 /nfs/dbraw/zinc/13/13/67/349131367.db2.gz RCBVKBLONHTIFX-UHFFFAOYSA-N 0 1 232.308 2.471 10 0 BEAEMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250792591 349179324 /nfs/dbraw/zinc/17/93/24/349179324.db2.gz KCGNKDITBJVVOQ-DOMZBBRYSA-N 0 1 245.322 2.123 10 0 BEAEMN CCOC(=O)[C@@H](C)N(C)CC1CC(C)(C)C1 ZINC000599328301 349156664 /nfs/dbraw/zinc/15/66/64/349156664.db2.gz XDHCQJNIDPPTCO-SNVBAGLBSA-N 0 1 227.348 2.306 10 0 BEAEMN CC(C)N1CCCC[C@@H]1c1ncccn1 ZINC000616613826 350067924 /nfs/dbraw/zinc/06/79/24/350067924.db2.gz BRRSHXUWLGBYHA-LLVKDONJSA-N 0 1 205.305 2.412 10 0 BEAEMN Cc1nc([C@@H](C)[NH3+])[nH]c1-c1cccs1 ZINC000041062173 180032902 /nfs/dbraw/zinc/03/29/02/180032902.db2.gz COFCCOYXJAGRRR-ZCFIWIBFSA-N 0 1 207.302 2.466 10 0 BEAEMN Cc1nc([C@](C)(N)C2CCCCC2)no1 ZINC000037367377 180058139 /nfs/dbraw/zinc/05/81/39/180058139.db2.gz QCPCTBMPTTWZPW-LLVKDONJSA-N 0 1 209.293 2.132 10 0 BEAEMN Cc1nc([C@]2(N)C[C@@H](C)CC(C)(C)C2)no1 ZINC000036762413 180060554 /nfs/dbraw/zinc/06/05/54/180060554.db2.gz QRCKZJUMXYBVQZ-UFBFGSQYSA-N 0 1 223.320 2.378 10 0 BEAEMN Cc1nc2cc(N[C@@H]3CCCOC3)ccc2[nH]1 ZINC000070464645 180096875 /nfs/dbraw/zinc/09/68/75/180096875.db2.gz PXCGNDSODZECDA-LLVKDONJSA-N 0 1 231.299 2.462 10 0 BEAEMN C[C@@H]1CCCCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC000304672747 350159439 /nfs/dbraw/zinc/15/94/39/350159439.db2.gz XOTLIPSGSWNGFP-SECBINFHSA-N 0 1 238.287 2.137 10 0 BEAEMN CC(C)[C@@H]1CCc2nc(CN)sc2C1 ZINC000054556828 350279587 /nfs/dbraw/zinc/27/95/87/350279587.db2.gz SYRMYHVNVPXVPH-MRVPVSSYSA-N 0 1 210.346 2.363 10 0 BEAEMN Cc1[nH+]cn([C@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000062757930 180289513 /nfs/dbraw/zinc/28/95/13/180289513.db2.gz VTLNIVNCSUDIRB-QWRGUYRKSA-N 0 1 222.288 2.316 10 0 BEAEMN Cc1[nH+]cn([C@@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000062757929 180290061 /nfs/dbraw/zinc/29/00/61/180290061.db2.gz VTLNIVNCSUDIRB-WDEREUQCSA-N 0 1 222.288 2.316 10 0 BEAEMN Cc1ncsc1[C@H](C)NCc1cn[nH]c1 ZINC000038006402 180326788 /nfs/dbraw/zinc/32/67/88/180326788.db2.gz ODZZQLGJXJWDMT-ZETCQYMHSA-N 0 1 222.317 2.025 10 0 BEAEMN O=C(c1ccccc1)c1c(O)cccc1O ZINC000032249718 350420676 /nfs/dbraw/zinc/42/06/76/350420676.db2.gz HQEPZWYPQQKFLU-UHFFFAOYSA-N 0 1 214.220 2.329 10 0 BEAEMN Cc1nn(C)cc1Nc1nc(C(C)C)ns1 ZINC000221025185 180376652 /nfs/dbraw/zinc/37/66/52/180376652.db2.gz BZGRLHBUNORRJU-UHFFFAOYSA-N 0 1 237.332 2.447 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)(F)F)C1 ZINC000409433400 350477536 /nfs/dbraw/zinc/47/75/36/350477536.db2.gz YEEPSCZVBTUDQZ-IUCAKERBSA-N 0 1 235.274 2.217 10 0 BEAEMN CC(C)=CCNc1cc(C(=O)[O-])cc[nH+]1 ZINC000229159977 350567862 /nfs/dbraw/zinc/56/78/62/350567862.db2.gz WJRMOKLRSZMFHA-UHFFFAOYSA-N 0 1 206.245 2.158 10 0 BEAEMN CC[N@H+]1CCO[C@H](c2ccc(C(=O)[O-])cc2)CC1 ZINC000616594097 350593032 /nfs/dbraw/zinc/59/30/32/350593032.db2.gz NILRUVAKKBXJKF-ZDUSSCGKSA-N 0 1 249.310 2.168 10 0 BEAEMN Cc1nnc([C@H](N)C(C)(C)C)n1C(C)C ZINC000042031058 180446047 /nfs/dbraw/zinc/44/60/47/180446047.db2.gz KYQCLMDTLXCSNF-VIFPVBQESA-N 0 1 210.325 2.213 10 0 BEAEMN COc1cccc([C@@H]2COCCCN2C)c1 ZINC000616597134 350640717 /nfs/dbraw/zinc/64/07/17/350640717.db2.gz NPYWVOMEDBRXIL-ZDUSSCGKSA-N 0 1 221.300 2.088 10 0 BEAEMN CN1CCOCC[C@H]1c1cnnc2ccccc21 ZINC000616597744 350653190 /nfs/dbraw/zinc/65/31/90/350653190.db2.gz JQUVIMXRSHZDNV-AWEZNQCLSA-N 0 1 243.310 2.023 10 0 BEAEMN Cc1noc(CN[C@@H](C)CCc2ccccc2)n1 ZINC000037980883 180489266 /nfs/dbraw/zinc/48/92/66/180489266.db2.gz VKFNLSDBHZEPQU-NSHDSACASA-N 0 1 245.326 2.489 10 0 BEAEMN CC(=O)Nc1ccccc1[C@H]1COCCCN1C ZINC000616599692 350754886 /nfs/dbraw/zinc/75/48/86/350754886.db2.gz NGXQSKPYSQZZJS-CQSZACIVSA-N 0 1 248.326 2.038 10 0 BEAEMN CC[N@H+]1CCN[C@@H](c2cccc3ccncc32)C1 ZINC000616600395 350779379 /nfs/dbraw/zinc/77/93/79/350779379.db2.gz IOYXLMAMSJEWJQ-OAHLLOKOSA-N 0 1 241.338 2.201 10 0 BEAEMN CC(C)(C)[C@H]1CN=C(NCC(F)F)S1 ZINC000306715105 350876813 /nfs/dbraw/zinc/87/68/13/350876813.db2.gz YGKAAUJFLWQYSS-ZCFIWIBFSA-N 0 1 222.304 2.359 10 0 BEAEMN CO[C@H](C(C)C)[C@H]1NCC[C@@H](C)S1 ZINC000306761848 350987798 /nfs/dbraw/zinc/98/77/98/350987798.db2.gz DFAGZPFHFAOTRM-BBBLOLIVSA-N 0 1 203.351 2.099 10 0 BEAEMN C[C@H](N)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000159733937 350990246 /nfs/dbraw/zinc/99/02/46/350990246.db2.gz IJXQZKCAPFXHPJ-LURJTMIESA-N 0 1 217.190 2.235 10 0 BEAEMN CC1(CC(=O)[C@H]2CSCCN2)CCCC1 ZINC000306795562 351043506 /nfs/dbraw/zinc/04/35/06/351043506.db2.gz GPSLBKFQYXURLS-SNVBAGLBSA-N 0 1 227.373 2.231 10 0 BEAEMN N[C@@H](c1nccs1)[C@@H]1CCCSC1 ZINC000306796646 351047238 /nfs/dbraw/zinc/04/72/38/351047238.db2.gz WVHHXVNHSOQDIF-HTQZYQBOSA-N 0 1 214.359 2.286 10 0 BEAEMN Cc1cocc1C(=O)[C@]1(C)CCCCN1 ZINC000306810215 351064207 /nfs/dbraw/zinc/06/42/07/351064207.db2.gz TXTKXPNBQFWIRT-LBPRGKRZSA-N 0 1 207.273 2.303 10 0 BEAEMN CCOC(=O)N1CCC[C@@H](c2cnc[nH]2)CC1 ZINC000616627361 351094504 /nfs/dbraw/zinc/09/45/04/351094504.db2.gz KFQNCQYFZHQWBT-SNVBAGLBSA-N 0 1 237.303 2.136 10 0 BEAEMN CC(C)(C)N1CCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616645253 351167722 /nfs/dbraw/zinc/16/77/22/351167722.db2.gz OJLGAFVBMAFRJL-CQSZACIVSA-N 0 1 249.354 2.351 10 0 BEAEMN COc1ccccc1[C@H]1COCCCN1C ZINC000616647476 351173991 /nfs/dbraw/zinc/17/39/91/351173991.db2.gz LTGLUKAJVBWSIT-GFCCVEGCSA-N 0 1 221.300 2.088 10 0 BEAEMN CC(C)N1CCCO[C@H](C(F)(F)F)C1 ZINC000616649927 351180306 /nfs/dbraw/zinc/18/03/06/351180306.db2.gz QEHURPBPKXYHPH-QMMMGPOBSA-N 0 1 211.227 2.048 10 0 BEAEMN CCN1CC[C@@H](c2cn[nH]n2)c2ccccc21 ZINC000616672603 351239727 /nfs/dbraw/zinc/23/97/27/351239727.db2.gz NMLHZVNJXRGJFX-SNVBAGLBSA-N 0 1 228.299 2.167 10 0 BEAEMN CN1CCc2ccccc2[C@@H]1c1cccc(N)n1 ZINC000616677030 351242807 /nfs/dbraw/zinc/24/28/07/351242807.db2.gz FUMFPNKGMMWFQC-OAHLLOKOSA-N 0 1 239.322 2.241 10 0 BEAEMN CC(C)N1CCc2ccccc2[C@@H]1c1cnno1 ZINC000616678440 351243693 /nfs/dbraw/zinc/24/36/93/351243693.db2.gz IEKRBLARBIKHNZ-CQSZACIVSA-N 0 1 243.310 2.426 10 0 BEAEMN COc1cccc([C@@H]2CC[N@@H+](C)CCO2)c1 ZINC000616686932 351257354 /nfs/dbraw/zinc/25/73/54/351257354.db2.gz LUUJNYCBCFHTCG-ZDUSSCGKSA-N 0 1 221.300 2.088 10 0 BEAEMN CN1CCOCC[C@@H]1c1cc2ccccc2nn1 ZINC000616655532 351196677 /nfs/dbraw/zinc/19/66/77/351196677.db2.gz GDENRAFZCGWLBR-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)(C)[N@H+]1CCOCC[C@H]1c1ccno1 ZINC000616655831 351201648 /nfs/dbraw/zinc/20/16/48/351201648.db2.gz DXXWHXCWAUHEDC-JTQLQIEISA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)N1CCOCC[C@H]1c1ccno1 ZINC000616655831 351201652 /nfs/dbraw/zinc/20/16/52/351201652.db2.gz DXXWHXCWAUHEDC-JTQLQIEISA-N 0 1 224.304 2.237 10 0 BEAEMN CNc1ccc([C@@H]2CCOCC[N@H+]2C)cc1 ZINC000616656140 351201830 /nfs/dbraw/zinc/20/18/30/351201830.db2.gz BKQNSCXAGIYNDT-ZDUSSCGKSA-N 0 1 220.316 2.122 10 0 BEAEMN CC[C@@H](N)c1occc1Br ZINC000068982332 351320006 /nfs/dbraw/zinc/32/00/06/351320006.db2.gz PWXYFMVQLDWKLW-ZCFIWIBFSA-N 0 1 204.067 2.452 10 0 BEAEMN Cn1cc([C@@H](N)c2cc(Cl)ccc2F)cn1 ZINC000034957627 351362757 /nfs/dbraw/zinc/36/27/57/351362757.db2.gz LGPVAFWJRKEOHT-LLVKDONJSA-N 0 1 239.681 2.261 10 0 BEAEMN Cc1sc(NN)nc1-c1ccsc1 ZINC000307087109 351471593 /nfs/dbraw/zinc/47/15/93/351471593.db2.gz ZNWMKEUQPQKNHC-UHFFFAOYSA-N 0 1 211.315 2.466 10 0 BEAEMN NCc1nc2c(s1)[C@H]1CC[C@@H](C2)S1 ZINC000403551488 363044583 /nfs/dbraw/zinc/04/45/83/363044583.db2.gz HWAWBULZLJQWLV-CAHLUQPWSA-N 0 1 212.343 2.095 10 0 BEAEMN C[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@H]1C(=O)[O-] ZINC000252102328 363065178 /nfs/dbraw/zinc/06/51/78/363065178.db2.gz GLEUJJKLVVLIQL-MXWKQRLJSA-N 0 1 211.305 2.114 10 0 BEAEMN CNCC(=O)c1c(Cl)ccc(F)c1F ZINC000307188531 351590249 /nfs/dbraw/zinc/59/02/49/351590249.db2.gz BPOYYAUVWBFDRI-UHFFFAOYSA-N 0 1 219.618 2.020 10 0 BEAEMN C[C@]1([C@H](N)c2nccs2)CCCS1 ZINC000307247460 351752484 /nfs/dbraw/zinc/75/24/84/351752484.db2.gz MSMGXBNPIMDOEQ-VXNVDRBHSA-N 0 1 214.359 2.429 10 0 BEAEMN C[C@@H](N)c1nc(-c2ccns2)cs1 ZINC000307278038 351833785 /nfs/dbraw/zinc/83/37/85/351833785.db2.gz SVIIEGOWUWBSGN-RXMQYKEDSA-N 0 1 211.315 2.286 10 0 BEAEMN Cn1ccnc1CNC/C=C\c1ccccc1 ZINC000214078701 363123227 /nfs/dbraw/zinc/12/32/27/363123227.db2.gz GTOLJDIEHUTABE-YVMONPNESA-N 0 1 227.311 2.223 10 0 BEAEMN Cc1nnc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)[nH]1 ZINC000163784201 352272079 /nfs/dbraw/zinc/27/20/79/352272079.db2.gz ZWMDRJOHYVEQIQ-GHMZBOCLSA-N 0 1 248.330 2.268 10 0 BEAEMN CN[C@H](C)c1ccoc1Br ZINC000300206449 352556213 /nfs/dbraw/zinc/55/62/13/352556213.db2.gz WVNZNSDRLTXZMJ-RXMQYKEDSA-N 0 1 204.067 2.323 10 0 BEAEMN FC1(F)CCCC[C@@H]1c1n[nH]c(=S)[nH]1 ZINC000307410468 352586542 /nfs/dbraw/zinc/58/65/42/352586542.db2.gz FDXOQHGRZGWVGW-RXMQYKEDSA-N 0 1 219.260 2.386 10 0 BEAEMN O=C(N[C@@H]1C=CCCC1)C(F)(F)Cl ZINC000307415712 352588741 /nfs/dbraw/zinc/58/87/41/352588741.db2.gz VDYDNMZJELCMOH-ZCFIWIBFSA-N 0 1 209.623 2.043 10 0 BEAEMN O=C1COc2cc(F)c(Br)c(F)c21 ZINC000307446237 352602125 /nfs/dbraw/zinc/60/21/25/352602125.db2.gz WLXPTELPOPRWRN-UHFFFAOYSA-N 0 1 249.010 2.302 10 0 BEAEMN CN[C@@H](C)c1ncc(Br)s1 ZINC000307458112 352609831 /nfs/dbraw/zinc/60/98/31/352609831.db2.gz DGCRCGIQVGUWSS-BYPYZUCNSA-N 0 1 221.123 2.186 10 0 BEAEMN NC1(C(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000307400006 352572229 /nfs/dbraw/zinc/57/22/29/352572229.db2.gz YHICFPFSNQULSI-MRVPVSSYSA-N 0 1 217.259 2.262 10 0 BEAEMN C[C@H](NC1=N[C@H](C)CCS1)C(F)F ZINC000307540699 352644411 /nfs/dbraw/zinc/64/44/11/352644411.db2.gz AFEPBVUNJKERBY-RITPCOANSA-N 0 1 208.277 2.111 10 0 BEAEMN C[C@@H]1Oc2c(c(F)ccc2Cl)C1=O ZINC000307586155 352661482 /nfs/dbraw/zinc/66/14/82/352661482.db2.gz OWAJKEJFTNBZRD-BYPYZUCNSA-N 0 1 200.596 2.443 10 0 BEAEMN CC1Oc2c(c(F)ccc2Cl)C1=O ZINC000307586155 352661486 /nfs/dbraw/zinc/66/14/86/352661486.db2.gz OWAJKEJFTNBZRD-BYPYZUCNSA-N 0 1 200.596 2.443 10 0 BEAEMN COc1nc([C@@H]2C[C@H](C)CCN2)cs1 ZINC000307608747 352667137 /nfs/dbraw/zinc/66/71/37/352667137.db2.gz DDWWXGGLUSATCL-SFYZADRCSA-N 0 1 212.318 2.212 10 0 BEAEMN NC1(C(=O)Cc2sccc2Cl)CC1 ZINC000307607512 352668398 /nfs/dbraw/zinc/66/83/98/352668398.db2.gz CFFJXBUXUXIFHP-UHFFFAOYSA-N 0 1 215.705 2.004 10 0 BEAEMN CN1CCc2cccc3c2[C@@H]1CCC3=O ZINC000143120255 353155768 /nfs/dbraw/zinc/15/57/68/353155768.db2.gz NJJFNNCHDSQZLW-NSHDSACASA-N 0 1 201.269 2.192 10 0 BEAEMN COc1ccc(Cc2nnc([C@@H](C)N)s2)cc1 ZINC000088810754 188144204 /nfs/dbraw/zinc/14/42/04/188144204.db2.gz YJNNJLZQOQHJNI-MRVPVSSYSA-N 0 1 249.339 2.157 10 0 BEAEMN CC(C)=CCN1CCCC[C@H]1c1nnc[nH]1 ZINC000182677326 188168694 /nfs/dbraw/zinc/16/86/94/188168694.db2.gz SXBFQBRPDLSKMK-NSHDSACASA-N 0 1 220.320 2.298 10 0 BEAEMN C1CC1c1nsc([C@@H]2CN3CCC2CC3)n1 ZINC000026171513 188180413 /nfs/dbraw/zinc/18/04/13/188180413.db2.gz XFELYAASECIJBD-SNVBAGLBSA-N 0 1 235.356 2.225 10 0 BEAEMN CC(C)N1CC[NH2+][C@H](c2cccs2)C1 ZINC000077304299 188222035 /nfs/dbraw/zinc/22/20/35/188222035.db2.gz DVVCZOWIHHBTDH-JTQLQIEISA-N 0 1 210.346 2.103 10 0 BEAEMN Fc1ccc(Cl)c(CN[C@@H]2CCOC2)c1 ZINC000076676824 180972759 /nfs/dbraw/zinc/97/27/59/180972759.db2.gz AHBKQNKZINRPTA-SNVBAGLBSA-N 0 1 229.682 2.358 10 0 BEAEMN Fc1ccccc1CNCc1ccc[nH]1 ZINC000048436069 181012631 /nfs/dbraw/zinc/01/26/31/181012631.db2.gz OCZFRPDJGCBVIH-UHFFFAOYSA-N 0 1 204.248 2.444 10 0 BEAEMN CC1=NC(=S)N([C@@H]2CCOC[C@H]2C)C1 ZINC000301028276 363342104 /nfs/dbraw/zinc/34/21/04/363342104.db2.gz QGRBIPVSMMYLAE-VXNVDRBHSA-N 0 1 212.318 2.078 10 0 BEAEMN C[C@@H]1CC[C@@](N)(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000521401227 259455089 /nfs/dbraw/zinc/45/50/89/259455089.db2.gz ZSZACOUMQUPYON-NRUUGDAUSA-N 0 1 227.348 2.482 10 0 BEAEMN Cc1cccc(C)c1NC(=O)N1CCNC[C@H]1C ZINC000335108189 354694012 /nfs/dbraw/zinc/69/40/12/354694012.db2.gz HLTWZOWPSNIEJJ-GFCCVEGCSA-N 0 1 247.342 2.129 10 0 BEAEMN Nc1nc(=S)[nH]c(-c2sccc2Cl)n1 ZINC000137337926 355795377 /nfs/dbraw/zinc/79/53/77/355795377.db2.gz WQONGPDWDGAXOC-UHFFFAOYSA-N 0 1 244.732 2.124 10 0 BEAEMN CC[C@H]1CSC(NCc2ccco2)=N1 ZINC000035082604 355798253 /nfs/dbraw/zinc/79/82/53/355798253.db2.gz JYOOUTFXMITCMV-QMMMGPOBSA-N 0 1 210.302 2.251 10 0 BEAEMN O=Cc1cc(O)c(F)c(Br)c1 ZINC000216015542 363507841 /nfs/dbraw/zinc/50/78/41/363507841.db2.gz AKAVAQYOUJRKQP-UHFFFAOYSA-N 0 1 219.009 2.106 10 0 BEAEMN CCC(C)(C)NCc1c(OC)nsc1OC ZINC000675075658 538509503 /nfs/dbraw/zinc/50/95/03/538509503.db2.gz SZGVUMGHAFCMRV-UHFFFAOYSA-N 0 1 244.360 2.439 10 0 BEAEMN CN(C)CC(=O)CCCc1ccccc1 ZINC000085792990 538546965 /nfs/dbraw/zinc/54/69/65/538546965.db2.gz UXWDJJHPJONWAG-UHFFFAOYSA-N 0 1 205.301 2.140 10 0 BEAEMN C[C@@H](Nc1ncnc2[nH]cnc21)c1ccco1 ZINC000035238120 356704243 /nfs/dbraw/zinc/70/42/43/356704243.db2.gz AAYKRAHMIYMBBV-SSDOTTSWSA-N 0 1 229.243 2.119 10 0 BEAEMN Clc1ccc([C@H]2NCCc3nc[nH]c32)s1 ZINC000084054711 538527789 /nfs/dbraw/zinc/52/77/89/538527789.db2.gz PYIRLNBRDNQFER-SNVBAGLBSA-N 0 1 239.731 2.360 10 0 BEAEMN C[C@@H](O)CCc1nc2ccc(F)cc2[nH]1 ZINC000026462101 357136140 /nfs/dbraw/zinc/13/61/40/357136140.db2.gz WTQPTKOSFPCKIH-SSDOTTSWSA-N 0 1 208.236 2.015 10 0 BEAEMN Cc1cnc([C@H](C)N[C@H]2CCO[C@@H](C)C2)o1 ZINC000231532280 357609427 /nfs/dbraw/zinc/60/94/27/357609427.db2.gz IPTWHNYSROLRHJ-LSJOCFKGSA-N 0 1 224.304 2.201 10 0 BEAEMN CCC[C@@H]1C[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000233307443 357711760 /nfs/dbraw/zinc/71/17/60/357711760.db2.gz CAMPTHSADHRBGJ-ZYHUDNBSSA-N 0 1 236.363 2.311 10 0 BEAEMN CS[C@@H](C)CNc1nccc(C)c1N ZINC000169040406 358014051 /nfs/dbraw/zinc/01/40/51/358014051.db2.gz ZOBIWPFKRPJPAG-QMMMGPOBSA-N 0 1 211.334 2.136 10 0 BEAEMN Cc1cc2cncn2cc1Br ZINC000222345417 358158604 /nfs/dbraw/zinc/15/86/04/358158604.db2.gz LVVNOAQUIYUOMQ-UHFFFAOYSA-N 0 1 211.062 2.405 10 0 BEAEMN CCCCN(C)c1n[nH]c2cnccc21 ZINC000584652184 358306844 /nfs/dbraw/zinc/30/68/44/358306844.db2.gz NKBDQSXBOZYWHL-UHFFFAOYSA-N 0 1 204.277 2.194 10 0 BEAEMN OC(=C[C@H](O)C(F)(F)F)c1ccsc1 ZINC000584634693 358318927 /nfs/dbraw/zinc/31/89/27/358318927.db2.gz SOUFDMATEYGUOQ-ZETCQYMHSA-N 0 1 224.203 2.244 10 0 BEAEMN Cc1nccnc1[C@@H](C)NCCC(F)(F)F ZINC000219177505 134274723 /nfs/dbraw/zinc/27/47/23/134274723.db2.gz BOCHWYAAIVOYQZ-SSDOTTSWSA-N 0 1 233.237 2.388 10 0 BEAEMN CC[C@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134247663 358784743 /nfs/dbraw/zinc/78/47/43/358784743.db2.gz SIZUSJXBQALHPY-VHSXEESVSA-N 0 1 235.331 2.087 10 0 BEAEMN CCC(CC)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134286649 358785931 /nfs/dbraw/zinc/78/59/31/358785931.db2.gz JIHODSNPANNQPL-LLVKDONJSA-N 0 1 249.358 2.382 10 0 BEAEMN COc1cccc(F)c1[C@H](C)NCc1cnc[nH]1 ZINC000134774589 358805007 /nfs/dbraw/zinc/80/50/07/358805007.db2.gz BAIVKGDFSBJAOJ-VIFPVBQESA-N 0 1 249.289 2.408 10 0 BEAEMN Cc1cnn(CCN[C@@H](C)c2ccco2)c1 ZINC000053534887 358834528 /nfs/dbraw/zinc/83/45/28/358834528.db2.gz HURWHHMIXGODGT-NSHDSACASA-N 0 1 219.288 2.135 10 0 BEAEMN Cc1cnn(CCN[C@H](C)c2ccco2)c1 ZINC000053534892 358834690 /nfs/dbraw/zinc/83/46/90/358834690.db2.gz HURWHHMIXGODGT-LLVKDONJSA-N 0 1 219.288 2.135 10 0 BEAEMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(C)(C)C ZINC000135510332 358841995 /nfs/dbraw/zinc/84/19/95/358841995.db2.gz BSUOXOBRXWVAOI-ZJUUUORDSA-N 0 1 249.358 2.380 10 0 BEAEMN CN[C@H]1COc2c1c(F)ccc2Cl ZINC000306167939 358975809 /nfs/dbraw/zinc/97/58/09/358975809.db2.gz IHGNOMFPTZIFPO-ZETCQYMHSA-N 0 1 201.628 2.132 10 0 BEAEMN c1coc(CNCc2ccc3c[nH]nc3c2)c1 ZINC000061669964 358936209 /nfs/dbraw/zinc/93/62/09/358936209.db2.gz PTGQGRYQPNLCAV-UHFFFAOYSA-N 0 1 227.267 2.446 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1Cc1ccccc1N(C)C ZINC000072685987 359088224 /nfs/dbraw/zinc/08/82/24/359088224.db2.gz COQOVUBRTRVHQB-BETUJISGSA-N 0 1 248.370 2.362 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@@H](C)CC[C@H]1C ZINC000247699329 359242343 /nfs/dbraw/zinc/24/23/43/359242343.db2.gz XKDGKNCRQYLFIJ-WDEREUQCSA-N 0 1 236.363 2.227 10 0 BEAEMN Cc1cc2nc(CO)[nH]c2cc1Br ZINC000306376792 359714020 /nfs/dbraw/zinc/71/40/20/359714020.db2.gz WNFBPLHSBOUDOO-UHFFFAOYSA-N 0 1 241.088 2.126 10 0 BEAEMN CNC(C)(C)C(=O)c1ccc(F)cc1F ZINC000169184558 359699774 /nfs/dbraw/zinc/69/97/74/359699774.db2.gz XIXLLEKTRBYWDX-UHFFFAOYSA-N 0 1 213.227 2.146 10 0 BEAEMN CCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000117521260 359839047 /nfs/dbraw/zinc/83/90/47/359839047.db2.gz GLFMAFIHYMNSRK-UHFFFAOYSA-N 0 1 218.256 2.302 10 0 BEAEMN CSC1([C@@H]2NCC[C@H](C)S2)CC1 ZINC000306449735 360018715 /nfs/dbraw/zinc/01/87/15/360018715.db2.gz NIWLOMCLCKRVLG-JGVFFNPUSA-N 0 1 203.376 2.323 10 0 BEAEMN Cc1ccc(CN2CCC(n3cncn3)CC2)o1 ZINC000092647730 360187760 /nfs/dbraw/zinc/18/77/60/360187760.db2.gz ODTYFEHTBSEONU-UHFFFAOYSA-N 0 1 246.314 2.017 10 0 BEAEMN CC1=NC(=S)N([C@@H]2CSC[C@H]2C)C1 ZINC000306584090 360483791 /nfs/dbraw/zinc/48/37/91/360483791.db2.gz PWQNURJVCGITRN-HTRCEHHLSA-N 0 1 214.359 2.404 10 0 BEAEMN CC(C)(C)[C@@H](C(=O)[O-])[N@H+]1CCCC1(C)C ZINC000306614927 361164371 /nfs/dbraw/zinc/16/43/71/361164371.db2.gz AUXYRDFGJPIFTL-SECBINFHSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)c1nnc(-c2sccc2N)[nH]1 ZINC000041058538 361219268 /nfs/dbraw/zinc/21/92/68/361219268.db2.gz DYELJIJMCSGSIN-UHFFFAOYSA-N 0 1 208.290 2.239 10 0 BEAEMN CC(C)c1n[nH]c(-c2sccc2N)n1 ZINC000041058538 361219271 /nfs/dbraw/zinc/21/92/71/361219271.db2.gz DYELJIJMCSGSIN-UHFFFAOYSA-N 0 1 208.290 2.239 10 0 BEAEMN Oc1cc(OC(F)(F)F)cnc1Cl ZINC000238707803 361364013 /nfs/dbraw/zinc/36/40/13/361364013.db2.gz PSTPQSFAQXYCGL-UHFFFAOYSA-N 0 1 213.542 2.339 10 0 BEAEMN C[C@@H](CC(=O)[O-])[N@H+]1CCCC12CCCC2 ZINC000306638338 361586567 /nfs/dbraw/zinc/58/65/67/361586567.db2.gz NBZMSUVIIRYQEK-JTQLQIEISA-N 0 1 211.305 2.258 10 0 BEAEMN C[C@H]([C@H](C)C(=O)[O-])[N@H+]1CCCCC[C@H]1C ZINC000252601812 363985589 /nfs/dbraw/zinc/98/55/89/363985589.db2.gz MPLVJDCHHOLBJM-OUAUKWLOSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCCCC[C@H]1C ZINC000252601813 363985721 /nfs/dbraw/zinc/98/57/21/363985721.db2.gz MPLVJDCHHOLBJM-VWYCJHECSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252662459 364749691 /nfs/dbraw/zinc/74/96/91/364749691.db2.gz ZIGMPHJZDMKLLL-NEPJUHHUSA-N 0 1 238.375 2.118 10 0 BEAEMN CCCC[N@H+](Cc1nc(C(=O)[O-])co1)C1CC1 ZINC000387030354 368043109 /nfs/dbraw/zinc/04/31/09/368043109.db2.gz SUHJLZGNBZUCCS-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN CCCC[N@@H+](Cc1nc(C(=O)[O-])co1)C1CC1 ZINC000387030354 368043112 /nfs/dbraw/zinc/04/31/12/368043112.db2.gz SUHJLZGNBZUCCS-UHFFFAOYSA-N 0 1 238.287 2.137 10 0 BEAEMN Cc1n[nH]c2[nH]c3cc(Cl)ccc3c(=O)c12 ZINC000048523205 368377407 /nfs/dbraw/zinc/37/74/07/368377407.db2.gz ONZFHEJRNGUVGM-UHFFFAOYSA-N 0 1 233.658 2.366 10 0 BEAEMN C[C@@H]1[C@H](C)SCCN1[C@H]1CCCCC1=O ZINC000253069229 368444768 /nfs/dbraw/zinc/44/47/68/368444768.db2.gz LLLIYYDNPXRMSY-VWYCJHECSA-N 0 1 227.373 2.324 10 0 BEAEMN COC(=O)[C@H](CC(C)C)N1CCCCC1 ZINC000059184664 368529947 /nfs/dbraw/zinc/52/99/47/368529947.db2.gz KHDRCDGTSVIVBG-NSHDSACASA-N 0 1 213.321 2.060 10 0 BEAEMN CC(C)(C)OCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000065953795 368636462 /nfs/dbraw/zinc/63/64/62/368636462.db2.gz ZELAOBODSVZMGS-CHWSQXEVSA-N 0 1 241.375 2.445 10 0 BEAEMN C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(C)(C)C ZINC000112307697 368869925 /nfs/dbraw/zinc/86/99/25/368869925.db2.gz YUDJPVLUXGMIAF-MRVPVSSYSA-N 0 1 246.314 2.122 10 0 BEAEMN CC[C@@](C)(N)C(=O)c1ccc(F)cc1F ZINC000226662507 371719278 /nfs/dbraw/zinc/71/92/78/371719278.db2.gz AIGINSAGBAZROE-LLVKDONJSA-N 0 1 213.227 2.275 10 0 BEAEMN CN[C@H](C)C(=O)c1cc2ccccc2o1 ZINC000132141222 371757611 /nfs/dbraw/zinc/75/76/11/371757611.db2.gz IQMHLPGGRACTOE-MRVPVSSYSA-N 0 1 203.241 2.223 10 0 BEAEMN CC(C)(C)OC1CC(N2CCOC(C)(C)C2)C1 ZINC000132218990 371768462 /nfs/dbraw/zinc/76/84/62/371768462.db2.gz MMVRBTNLKNBKCY-UHFFFAOYSA-N 0 1 241.375 2.443 10 0 BEAEMN CC(C)c1c[nH+]c2cc(C(=O)[O-])ccn21 ZINC000132381459 371803972 /nfs/dbraw/zinc/80/39/72/371803972.db2.gz FWBKNNNBLSAFDJ-UHFFFAOYSA-N 0 1 204.229 2.156 10 0 BEAEMN Cc1nc(C[C@@H](N)c2ccco2)cs1 ZINC000057495424 371851055 /nfs/dbraw/zinc/85/10/55/371851055.db2.gz QZGVZOZYERRKSW-SECBINFHSA-N 0 1 208.286 2.287 10 0 BEAEMN Cc1cc(F)ccc1C(=O)[C@@H](N)C1CC1 ZINC000306559058 372035928 /nfs/dbraw/zinc/03/59/28/372035928.db2.gz AFUWMJFLXMVCPW-NSHDSACASA-N 0 1 207.248 2.054 10 0 BEAEMN CCn1nccc1[C@H](N)c1ccsc1 ZINC000069024986 373108386 /nfs/dbraw/zinc/10/83/86/373108386.db2.gz JWPRFKBPCWZJJB-SNVBAGLBSA-N 0 1 207.302 2.013 10 0 BEAEMN OC1(C2CC2)CN(C[C@@H]2CCCCC2(F)F)C1 ZINC000336144608 183015432 /nfs/dbraw/zinc/01/54/32/183015432.db2.gz HLIOTQVUJNYXPG-NSHDSACASA-N 0 1 245.313 2.269 10 0 BEAEMN OCC[C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000128040456 183094367 /nfs/dbraw/zinc/09/43/67/183094367.db2.gz UDBFNSBFGACULS-JTQLQIEISA-N 0 1 241.281 2.169 10 0 BEAEMN CCCCc1ccc([C@H](NC)C(=O)NC)cc1 ZINC000098125941 169022839 /nfs/dbraw/zinc/02/28/39/169022839.db2.gz REOWUULMGSMMEC-ZDUSSCGKSA-N 0 1 234.343 2.036 10 0 BEAEMN OCc1cnc(-c2ccc(Cl)s2)[nH]1 ZINC000062820563 183160015 /nfs/dbraw/zinc/16/00/15/183160015.db2.gz RLSDIUFYOBVIAI-UHFFFAOYSA-N 0 1 214.677 2.284 10 0 BEAEMN OCc1cnc(-c2ccnc3ccccc32)[nH]1 ZINC000104383915 183160348 /nfs/dbraw/zinc/16/03/48/183160348.db2.gz SLZBYPYSRARJNZ-UHFFFAOYSA-N 0 1 225.251 2.117 10 0 BEAEMN CCC[N@@H+](C)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000051287573 169079354 /nfs/dbraw/zinc/07/93/54/169079354.db2.gz DSUYMWKUDWBOQK-CQSZACIVSA-N 0 1 235.327 2.371 10 0 BEAEMN CCCN(CC(=O)Nc1cccc(N)c1)C1CC1 ZINC000037096712 169096396 /nfs/dbraw/zinc/09/63/96/169096396.db2.gz LRGOUDDMIDSOQZ-UHFFFAOYSA-N 0 1 247.342 2.082 10 0 BEAEMN [O-]c1ccc(C2=CC[NH2+]CC2)cc1Cl ZINC000020578378 183267616 /nfs/dbraw/zinc/26/76/16/183267616.db2.gz KLJDDSFRPXODLO-UHFFFAOYSA-N 0 1 209.676 2.422 10 0 BEAEMN [O-]c1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000043476951 183270285 /nfs/dbraw/zinc/27/02/85/183270285.db2.gz KLEPQEAOCDHQMY-SNVBAGLBSA-N 0 1 241.718 2.314 10 0 BEAEMN Oc1ccc(F)c(F)c1Br ZINC000075926771 183272987 /nfs/dbraw/zinc/27/29/87/183272987.db2.gz XUQJWVKFSVDGPP-UHFFFAOYSA-N 0 1 208.989 2.433 10 0 BEAEMN Oc1ccc2c(c1)OCCN(C1CCC1)C2 ZINC000285348262 183280154 /nfs/dbraw/zinc/28/01/54/183280154.db2.gz ATHDZGLKECFJCC-UHFFFAOYSA-N 0 1 219.284 2.139 10 0 BEAEMN Oc1cccc(-c2n[nH]c(-c3ccncc3)n2)c1 ZINC000000505407 183287170 /nfs/dbraw/zinc/28/71/70/183287170.db2.gz SEMQQZJFAFSNGJ-UHFFFAOYSA-N 0 1 238.250 2.239 10 0 BEAEMN Oc1cccc(-c2nc(-c3ccncc3)n[nH]2)c1 ZINC000000505407 183287174 /nfs/dbraw/zinc/28/71/74/183287174.db2.gz SEMQQZJFAFSNGJ-UHFFFAOYSA-N 0 1 238.250 2.239 10 0 BEAEMN Oc1cccc(-c2n[nH]c(-c3ccco3)n2)c1 ZINC000040174263 183288015 /nfs/dbraw/zinc/28/80/15/183288015.db2.gz JMQDLYCBPDJYPL-UHFFFAOYSA-N 0 1 227.223 2.437 10 0 BEAEMN O=c1[nH][nH]c2c1CSc1ccccc1-2 ZINC000027881732 183307266 /nfs/dbraw/zinc/30/72/66/183307266.db2.gz KCYJAVFZHACRFI-UHFFFAOYSA-N 0 1 204.254 2.388 10 0 BEAEMN Oc1cncc2cc(Br)oc21 ZINC000082371301 183304496 /nfs/dbraw/zinc/30/44/96/183304496.db2.gz NPRJURVKBNFACU-UHFFFAOYSA-N 0 1 214.018 2.296 10 0 BEAEMN CCCN1CCO[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000022064449 169204079 /nfs/dbraw/zinc/20/40/79/169204079.db2.gz JCSREICEMHWFAY-GJZGRUSLSA-N 0 1 247.338 2.490 10 0 in-vitro BEAEMN CCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121554373 169210504 /nfs/dbraw/zinc/21/05/04/169210504.db2.gz FTDAVDPQUTWOAC-GXFFZTMASA-N 0 1 241.281 2.483 10 0 BEAEMN c1nc(CNC2CC2)sc1-c1ccccn1 ZINC000083243062 183380506 /nfs/dbraw/zinc/38/05/06/183380506.db2.gz ZBJNRWGMZQJTOF-UHFFFAOYSA-N 0 1 231.324 2.457 10 0 BEAEMN CCCN[C@H](C)c1nnc([C@@H]2CCCCO2)o1 ZINC000050973903 169288305 /nfs/dbraw/zinc/28/83/05/169288305.db2.gz QTRPEQHLOUIYBM-ZJUUUORDSA-N 0 1 239.319 2.372 10 0 BEAEMN CCCN[C@H](C)c1csc(CN(C)C)n1 ZINC000070841861 169288411 /nfs/dbraw/zinc/28/84/11/169288411.db2.gz OZBVADCKLINRGH-SECBINFHSA-N 0 1 227.377 2.265 10 0 BEAEMN CCCO[C@@H]1CCCN(CC(=O)C(C)(C)C)C1 ZINC000042423750 169310917 /nfs/dbraw/zinc/31/09/17/169310917.db2.gz DXLVHTUIBLGLHU-GFCCVEGCSA-N 0 1 241.375 2.493 10 0 BEAEMN CCCOc1ccc(-c2ccc(NN)nn2)cc1 ZINC000050194158 169316679 /nfs/dbraw/zinc/31/66/79/169316679.db2.gz FBXPRZMIEJPBDR-UHFFFAOYSA-N 0 1 244.298 2.218 10 0 BEAEMN CCCNc1ncnc(Nc2ccncc2)c1N ZINC000040687506 169296678 /nfs/dbraw/zinc/29/66/78/169296678.db2.gz ZZWVEMHEPBCYKT-UHFFFAOYSA-N 0 1 244.302 2.019 10 0 BEAEMN CCC[C@@H](C(=O)Nc1ccncc1C)N(C)C ZINC000153519281 169346750 /nfs/dbraw/zinc/34/67/50/169346750.db2.gz ZJMZMYKMDFSWII-LBPRGKRZSA-N 0 1 235.331 2.059 10 0 BEAEMN CCCc1nc([C@]2(N)CCCC[C@@H]2C)no1 ZINC000036763329 169593609 /nfs/dbraw/zinc/59/36/09/169593609.db2.gz FNTXJOJVFNOICU-CABZTGNLSA-N 0 1 223.320 2.386 10 0 BEAEMN Cc1cnc([C@H](C)NC[C@H]2CCSC2)o1 ZINC000226402957 134365451 /nfs/dbraw/zinc/36/54/51/134365451.db2.gz UBQAAFKOXHYLQF-VHSXEESVSA-N 0 1 226.345 2.387 10 0 BEAEMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(C)n1CC ZINC000185596198 134382528 /nfs/dbraw/zinc/38/25/28/134382528.db2.gz ADJGEMJDIICIKG-ZYHUDNBSSA-N 0 1 236.363 2.227 10 0 BEAEMN C[C@H](NCc1ccnn1C)c1ccc(F)cc1 ZINC000036901156 383916877 /nfs/dbraw/zinc/91/68/77/383916877.db2.gz LUTVYSQUSUJAIG-JTQLQIEISA-N 0 1 233.290 2.410 10 0 BEAEMN C[C@H](NC(=O)C(F)(F)F)c1cccc(O)c1 ZINC000112466947 383927028 /nfs/dbraw/zinc/92/70/28/383927028.db2.gz YDLYSKFIJVNDHN-LURJTMIESA-N 0 1 233.189 2.132 10 0 BEAEMN COC(=O)c1c2cn[nH]c2ccc1Cl ZINC000089196321 383942519 /nfs/dbraw/zinc/94/25/19/383942519.db2.gz USSCXOAERIULGO-UHFFFAOYSA-N 0 1 210.620 2.003 10 0 BEAEMN C[C@H](NCc1c[nH]nn1)c1cccc(Cl)c1 ZINC000296324370 384050677 /nfs/dbraw/zinc/05/06/77/384050677.db2.gz ORJMHYXCNBJJIZ-QMMMGPOBSA-N 0 1 236.706 2.309 10 0 BEAEMN COC(=O)c1cc(=O)c2cccc(C3CC3)c2[nH]1 ZINC000090513256 384057366 /nfs/dbraw/zinc/05/73/66/384057366.db2.gz MKLSPJXQYDPHOQ-UHFFFAOYSA-N 0 1 243.262 2.192 10 0 BEAEMN COC(=O)c1cccc2nc(C(F)(F)F)[nH]c21 ZINC000038954249 384097421 /nfs/dbraw/zinc/09/74/21/384097421.db2.gz ITULVXSDJPFSPQ-UHFFFAOYSA-N 0 1 244.172 2.368 10 0 BEAEMN CCCCNC(=O)CN[C@@H](C)c1cccs1 ZINC000042213323 384207637 /nfs/dbraw/zinc/20/76/37/384207637.db2.gz BPOHITFLVLKNEN-JTQLQIEISA-N 0 1 240.372 2.315 10 0 BEAEMN CC[C@@H](C)CN(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134323784 384350117 /nfs/dbraw/zinc/35/01/17/384350117.db2.gz MWNMLGPBLOWQSJ-GHMZBOCLSA-N 0 1 249.358 2.334 10 0 BEAEMN Cc1cnc([C@@H](C)NCCC[C@@H]2CCOC2)o1 ZINC000400528578 384409056 /nfs/dbraw/zinc/40/90/56/384409056.db2.gz GSPWZYLKDNRJAA-VXGBXAGGSA-N 0 1 238.331 2.450 10 0 BEAEMN CC(C)C[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000121509955 384419936 /nfs/dbraw/zinc/41/99/36/384419936.db2.gz GANHPBUGQIRKSH-QWRGUYRKSA-N 0 1 249.358 2.380 10 0 BEAEMN CC(C)C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000121509490 384420957 /nfs/dbraw/zinc/42/09/57/384420957.db2.gz GANHPBUGQIRKSH-GHMZBOCLSA-N 0 1 249.358 2.380 10 0 BEAEMN CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374460332 384444212 /nfs/dbraw/zinc/44/42/12/384444212.db2.gz FZBZZAMXOOOVFX-UHIISALHSA-N 0 1 247.342 2.340 10 0 BEAEMN CCSCCNCc1cn2c(n1)CCCC2 ZINC000276286376 384439000 /nfs/dbraw/zinc/43/90/00/384439000.db2.gz SKVDLWKXXCOCMG-UHFFFAOYSA-N 0 1 239.388 2.062 10 0 BEAEMN C[C@H]1C[C@H](O)CN(Cc2nc3ccccc3o2)C1 ZINC000334827495 384742599 /nfs/dbraw/zinc/74/25/99/384742599.db2.gz QRNYNJFDCZWSGO-QWRGUYRKSA-N 0 1 246.310 2.031 10 0 BEAEMN c1ccc2c(c1)OC[C@@H]2NCC1=CCCOC1 ZINC000127069591 384837689 /nfs/dbraw/zinc/83/76/89/384837689.db2.gz XGLBSCZEDXLRBF-ZDUSSCGKSA-N 0 1 231.295 2.056 10 0 BEAEMN CC(C)c1n[nH]c(COc2ccccc2N)n1 ZINC000072237485 384844512 /nfs/dbraw/zinc/84/45/12/384844512.db2.gz YIUHCYIFDXXFBW-UHFFFAOYSA-N 0 1 232.287 2.089 10 0 BEAEMN CC(C)c1nc(COc2ccccc2N)n[nH]1 ZINC000072237485 384844516 /nfs/dbraw/zinc/84/45/16/384844516.db2.gz YIUHCYIFDXXFBW-UHFFFAOYSA-N 0 1 232.287 2.089 10 0 BEAEMN Cc1nccc(N[C@H](C)[C@H]2CCCO2)c1Cl ZINC000336646553 385049776 /nfs/dbraw/zinc/04/97/76/385049776.db2.gz DWINAFHUTXXGJV-LDYMZIIASA-N 0 1 240.734 2.445 10 0 BEAEMN CC[C@H](C)CN(CC)Cc1nnc(C)n1CC ZINC000177854353 385129652 /nfs/dbraw/zinc/12/96/52/385129652.db2.gz VQAJVDCQOKECDZ-NSHDSACASA-N 0 1 238.379 2.474 10 0 BEAEMN CC[C@@H](C)CN(CC)Cc1nnc(C)n1CC ZINC000177854344 385129727 /nfs/dbraw/zinc/12/97/27/385129727.db2.gz VQAJVDCQOKECDZ-LLVKDONJSA-N 0 1 238.379 2.474 10 0 BEAEMN CC(C)(C)c1n[nH]c(SCC(=O)C2CC2)n1 ZINC000109197838 385140528 /nfs/dbraw/zinc/14/05/28/385140528.db2.gz DAJBDUDBJHYQNF-UHFFFAOYSA-N 0 1 239.344 2.173 10 0 BEAEMN CC(C)(C)c1nc(SCC(=O)C2CC2)n[nH]1 ZINC000109197838 385140536 /nfs/dbraw/zinc/14/05/36/385140536.db2.gz DAJBDUDBJHYQNF-UHFFFAOYSA-N 0 1 239.344 2.173 10 0 BEAEMN Nc1ccnc(CN2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000246863539 385248660 /nfs/dbraw/zinc/24/86/60/385248660.db2.gz PRDSWUPPKJOAAQ-NWDGAFQWSA-N 0 1 246.358 2.213 10 0 BEAEMN Nc1ccc(C(O)=C2CCCCC2=O)cc1 ZINC000238634167 385259461 /nfs/dbraw/zinc/25/94/61/385259461.db2.gz ANWZGMTWCOJSFA-LLVKDONJSA-N 0 1 217.268 2.211 10 0 BEAEMN Cn1cc([C@H]2CCCN2Cc2ccco2)cn1 ZINC000131809856 385362618 /nfs/dbraw/zinc/36/26/18/385362618.db2.gz PYPTVAFXOCTUOT-CYBMUJFWSA-N 0 1 231.299 2.350 10 0 BEAEMN C[C@H](N)c1noc(-c2ccc(Cl)s2)n1 ZINC000051173341 385445314 /nfs/dbraw/zinc/44/53/14/385445314.db2.gz LNYHELOBJLKYJK-BYPYZUCNSA-N 0 1 229.692 2.471 10 0 BEAEMN CC(C)N(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000172096142 385548688 /nfs/dbraw/zinc/54/86/88/385548688.db2.gz WCKVOTDOZPIHTQ-CQSZACIVSA-N 0 1 248.370 2.026 10 0 BEAEMN CC[C@@H](C)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197704 385608420 /nfs/dbraw/zinc/60/84/20/385608420.db2.gz JLZYPWPULJMKOW-ZJUUUORDSA-N 0 1 238.335 2.083 10 0 BEAEMN FC(F)(F)c1cnc(NCc2cncs2)[nH]1 ZINC000284014970 385882154 /nfs/dbraw/zinc/88/21/54/385882154.db2.gz KKTSCRODVQWPQE-UHFFFAOYSA-N 0 1 248.233 2.497 10 0 BEAEMN Cc1ccc(F)cc1CNCc1ccnn1C ZINC000129026221 386043379 /nfs/dbraw/zinc/04/33/79/386043379.db2.gz IMFOFEQFXJHVJQ-UHFFFAOYSA-N 0 1 233.290 2.157 10 0 BEAEMN Cc1ccc([C@H](C)N[C@@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC000336742546 386201162 /nfs/dbraw/zinc/20/11/62/386201162.db2.gz OIXYXLXDKOOEFH-ZMLRMANQSA-N 0 1 222.332 2.189 10 0 BEAEMN C[C@H]1C[C@H](C)CC(N)(C(=O)OC(C)(C)C)C1 ZINC000521401014 386449635 /nfs/dbraw/zinc/44/96/35/386449635.db2.gz VGXBIEBGSDJOHR-UWVGGRQHSA-N 0 1 227.348 2.482 10 0 BEAEMN Cc1c[nH]nc1CN[C@H]1CCc2ccccc21 ZINC000290075290 386390007 /nfs/dbraw/zinc/39/00/07/386390007.db2.gz YNNWWNULXSHRPA-ZDUSSCGKSA-N 0 1 227.311 2.495 10 0 BEAEMN Cc1nccc(N[C@@H](C)[C@@H]2CCCO2)c1Cl ZINC000336646552 386635616 /nfs/dbraw/zinc/63/56/16/386635616.db2.gz DWINAFHUTXXGJV-KWQFWETISA-N 0 1 240.734 2.445 10 0 BEAEMN COc1ccc(Br)c([C@H](N)CF)c1 ZINC000238432731 387032638 /nfs/dbraw/zinc/03/26/38/387032638.db2.gz HKYQWNQYKAGBTD-SECBINFHSA-N 0 1 248.095 2.427 10 0 BEAEMN C[C@@H]1C[C@@]1(C)c1o[nH]c(=N)c1Br ZINC000575583587 387058206 /nfs/dbraw/zinc/05/82/06/387058206.db2.gz OHSYOMVIURQSKR-SPGJFGJESA-N 0 1 231.093 2.147 10 0 BEAEMN O[C@@H]1CCCN(CCC(F)(F)C(F)(F)F)C1 ZINC000575411064 387011278 /nfs/dbraw/zinc/01/12/78/387011278.db2.gz WHGFQYJYHLTXCN-SSDOTTSWSA-N 0 1 247.207 2.031 10 0 BEAEMN C[C@@H]1C[C@@H](c2cccs2)C[C@H](O)N1C ZINC000536949696 387160381 /nfs/dbraw/zinc/16/03/81/387160381.db2.gz DLPLKOFQAYXVOD-KKZNHRDASA-N 0 1 211.330 2.264 10 0 BEAEMN COC(=O)c1cc(F)cc(O)c1C(F)(F)F ZINC000575714903 387429157 /nfs/dbraw/zinc/42/91/57/387429157.db2.gz ZTTKUOGMLNWUGI-UHFFFAOYSA-N 0 1 238.136 2.337 10 0 BEAEMN N=c1[nH]oc([C@@H]2C[C@@H]2C2CC2)c1Br ZINC000575521963 387443039 /nfs/dbraw/zinc/44/30/39/387443039.db2.gz UUVCISASDKYZSD-PHDIDXHHSA-N 0 1 243.104 2.363 10 0 BEAEMN c1coc([C@H]2CCC[N@@H+]2CCC2OCCO2)c1 ZINC000124331283 387612523 /nfs/dbraw/zinc/61/25/23/387612523.db2.gz GIOQSBYSMHPUPI-LLVKDONJSA-N 0 1 237.299 2.180 10 0 BEAEMN Cc1nnc(CN2[C@H](C)CC[C@@H]2C)n1C1CC1 ZINC000122924810 387615972 /nfs/dbraw/zinc/61/59/72/387615972.db2.gz MGNSBSJGEAJYQM-AOOOYVTPSA-N 0 1 234.347 2.294 10 0 BEAEMN CC(=O)c1cc(C#N)cc(O)c1C(F)F ZINC000575643446 387863834 /nfs/dbraw/zinc/86/38/34/387863834.db2.gz QLWXCPJENRBEJH-UHFFFAOYSA-N 0 1 211.167 2.404 10 0 BEAEMN CCC(CC)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195061335 387902759 /nfs/dbraw/zinc/90/27/59/387902759.db2.gz DIGFMJBJRYDFTO-ZDUSSCGKSA-N 0 1 238.375 2.119 10 0 BEAEMN Fc1ccc(F)c([C@H]2CSCCN2)c1 ZINC000070588017 387990146 /nfs/dbraw/zinc/99/01/46/387990146.db2.gz CXWDDMLJROGGQK-SNVBAGLBSA-N 0 1 215.268 2.342 10 0 BEAEMN c1cc2nc([C@@H]3CCSC3)[nH]c2cn1 ZINC000069985652 388077410 /nfs/dbraw/zinc/07/74/10/388077410.db2.gz RRLXZVJYPOYMNO-SSDOTTSWSA-N 0 1 205.286 2.178 10 0 BEAEMN c1cc2[nH]c([C@@H]3CCSC3)nc2cn1 ZINC000069985652 388077412 /nfs/dbraw/zinc/07/74/12/388077412.db2.gz RRLXZVJYPOYMNO-SSDOTTSWSA-N 0 1 205.286 2.178 10 0 BEAEMN CC[C@H]1CCCCN1Cc1nnc(C)n1CC ZINC000195007401 388081934 /nfs/dbraw/zinc/08/19/34/388081934.db2.gz AMYKAYPCWMLMAX-LBPRGKRZSA-N 0 1 236.363 2.371 10 0 BEAEMN Cc1[nH]c2ccccc2c1[C@H]1COCCN1 ZINC000071519757 388097735 /nfs/dbraw/zinc/09/77/35/388097735.db2.gz CEJANMLRGVSCMM-GFCCVEGCSA-N 0 1 216.284 2.137 10 0 BEAEMN CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC1 ZINC000086929425 388111001 /nfs/dbraw/zinc/11/10/01/388111001.db2.gz CMPTWQXDHNFCLT-ZIAGYGMSSA-N 0 1 222.376 2.345 10 0 BEAEMN CCN(Cc1nnc(C)n1CC)CC(C)C ZINC000195430853 388163549 /nfs/dbraw/zinc/16/35/49/388163549.db2.gz RLYGRVPFYXYVAM-UHFFFAOYSA-N 0 1 224.352 2.084 10 0 BEAEMN CCc1nnc(CN(CC)[C@H](C)C(C)C)n1C ZINC000195432684 388164045 /nfs/dbraw/zinc/16/40/45/388164045.db2.gz OSBJOQADLYFUHH-LLVKDONJSA-N 0 1 238.379 2.244 10 0 BEAEMN CCN(Cc1nnnn1C(C)C)[C@@H](C)C(C)C ZINC000195432736 388164223 /nfs/dbraw/zinc/16/42/23/388164223.db2.gz YERXKVCTASVXHI-NSHDSACASA-N 0 1 239.367 2.120 10 0 BEAEMN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374460326 388489856 /nfs/dbraw/zinc/48/98/56/388489856.db2.gz FZBZZAMXOOOVFX-JTNHKYCSSA-N 0 1 247.342 2.340 10 0 BEAEMN c1cc2c(s1)CCN[C@@H]2c1cccnc1 ZINC000066054607 388534189 /nfs/dbraw/zinc/53/41/89/388534189.db2.gz VFMHJJPZRDRFGU-GFCCVEGCSA-N 0 1 216.309 2.378 10 0 BEAEMN C[C@H]1CC(C)(C)C[C@@]1(N)C(=O)OC(C)(C)C ZINC000521400303 256863454 /nfs/dbraw/zinc/86/34/54/256863454.db2.gz DTLQHSDBHQTSBR-ZANVPECISA-N 0 1 227.348 2.482 10 0 BEAEMN CCc1nnc(CN2CCC[C@@H]3CCC[C@H]32)n1C ZINC000247536753 388666249 /nfs/dbraw/zinc/66/62/49/388666249.db2.gz OSXGTXUDHQCHRN-NWDGAFQWSA-N 0 1 248.374 2.142 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@@H](C)[C@H]1C ZINC000246718959 388650108 /nfs/dbraw/zinc/65/01/08/388650108.db2.gz LOPFPMXYHWTZJZ-GHMZBOCLSA-N 0 1 236.363 2.227 10 0 BEAEMN CCc1cc(C(=O)Nc2nnc(C)[nH]2)oc1CC ZINC000127311596 388720478 /nfs/dbraw/zinc/72/04/78/388720478.db2.gz RWIATSZTHLUYBF-UHFFFAOYSA-N 0 1 248.286 2.083 10 0 BEAEMN CCc1cc(C(=O)Nc2nc(C)n[nH]2)oc1CC ZINC000127311596 388720481 /nfs/dbraw/zinc/72/04/81/388720481.db2.gz RWIATSZTHLUYBF-UHFFFAOYSA-N 0 1 248.286 2.083 10 0 BEAEMN CC(C)N1CCN(c2ccccc2C=O)CC1 ZINC000035543021 132338650 /nfs/dbraw/zinc/33/86/50/132338650.db2.gz AZRWVXJYDOKLAK-UHFFFAOYSA-N 0 1 232.327 2.030 10 0 BEAEMN CCCc1cc(N)nc(N2CCCCC2)n1 ZINC000050845806 132359547 /nfs/dbraw/zinc/35/95/47/132359547.db2.gz HFUHJDHZJMIYID-UHFFFAOYSA-N 0 1 220.320 2.002 10 0 BEAEMN O=C([O-])CNc1ccc([NH+]2CCCCC2)cc1 ZINC000057523885 132365899 /nfs/dbraw/zinc/36/58/99/132365899.db2.gz XDCSVGPOQVSDHS-UHFFFAOYSA-N 0 1 234.299 2.173 10 0 BEAEMN C[C@H]1CN(C[C@@H]2CCCC2(F)F)CCO1 ZINC000336192432 134124201 /nfs/dbraw/zinc/12/42/01/134124201.db2.gz PLDQBSRMIPNWJH-UWVGGRQHSA-N 0 1 219.275 2.143 10 0 BEAEMN CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262102919 135278526 /nfs/dbraw/zinc/27/85/26/135278526.db2.gz HPXFFHWBRDNWTC-NTZNESFSSA-N 0 1 225.332 2.219 10 0 BEAEMN Clc1ccc(CNC2=NCCS2)o1 ZINC000575460539 397944082 /nfs/dbraw/zinc/94/40/82/397944082.db2.gz FGJDIDUWLNVYGM-UHFFFAOYSA-N 0 1 216.693 2.125 10 0 BEAEMN C/C(=C\Cl)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000232008011 397989573 /nfs/dbraw/zinc/98/95/73/397989573.db2.gz AQTNODKZJOGHEL-JSJQHLISSA-N 0 1 231.723 2.314 10 0 BEAEMN CNCC(=O)c1ccc(C)c(Br)c1 ZINC000082550311 173335685 /nfs/dbraw/zinc/33/56/85/173335685.db2.gz QBYMFRSZFBHRGK-UHFFFAOYSA-N 0 1 242.116 2.160 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000674485985 487586398 /nfs/dbraw/zinc/58/63/98/487586398.db2.gz OOTRUIRFBYSGRO-SKDRFNHKSA-N 0 1 247.342 2.207 10 0 BEAEMN OCc1ccc(O)c(Cl)c1Br ZINC000575675505 409902636 /nfs/dbraw/zinc/90/26/36/409902636.db2.gz MEZJWEOJHRHNQF-UHFFFAOYSA-N 0 1 237.480 2.300 10 0 BEAEMN Brc1ccc([C@@H]2CNCO2)s1 ZINC000082547304 166099533 /nfs/dbraw/zinc/09/95/33/166099533.db2.gz IUQWKMZCMQWQSU-YFKPBYRVSA-N 0 1 234.118 2.129 10 0 BEAEMN CC(C)[N@H+]1Cc2cc(F)ccc2C[C@H]1C(=O)[O-] ZINC000016082862 167034681 /nfs/dbraw/zinc/03/46/81/167034681.db2.gz HUPVFYQYSOOCLF-LBPRGKRZSA-N 0 1 237.274 2.045 10 0 BEAEMN CC(C)N[C@](C)(CO)c1c(F)cccc1F ZINC000038115544 167142844 /nfs/dbraw/zinc/14/28/44/167142844.db2.gz PWAVBQYFACTEQI-GFCCVEGCSA-N 0 1 229.270 2.170 10 0 BEAEMN CC(C)Nc1cnn(-c2ccncc2)c1 ZINC000013208938 167149607 /nfs/dbraw/zinc/14/96/07/167149607.db2.gz JHPAAKJWRIMHEA-UHFFFAOYSA-N 0 1 202.261 2.088 10 0 BEAEMN CC(C)Oc1ccc(-c2c[nH]c(CN)n2)cc1 ZINC000036870943 167288708 /nfs/dbraw/zinc/28/87/08/167288708.db2.gz FKIRAXBECRMBNL-UHFFFAOYSA-N 0 1 231.299 2.323 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000033468503 167344899 /nfs/dbraw/zinc/34/48/99/167344899.db2.gz QXPNTSZLQAFNMV-LBPRGKRZSA-N 0 1 239.290 2.367 10 0 BEAEMN CC(C)[C@@H](C)[N@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000058014071 167371010 /nfs/dbraw/zinc/37/10/10/167371010.db2.gz QJTLATZSFXXJQZ-SECBINFHSA-N 0 1 236.315 2.448 10 0 BEAEMN CC(C)[C@@H](C)[N@@H+](C)c1ccc(N)cc1C(=O)[O-] ZINC000058014071 167371012 /nfs/dbraw/zinc/37/10/12/167371012.db2.gz QJTLATZSFXXJQZ-SECBINFHSA-N 0 1 236.315 2.448 10 0 BEAEMN O=c1c2c([nH]n1C1CCCCC1)CCC2 ZINC000104707505 410947549 /nfs/dbraw/zinc/94/75/49/410947549.db2.gz XODGXTAHGQDFHD-SNVBAGLBSA-N 0 1 206.289 2.317 10 0 BEAEMN Cc1cc(CNCCOCCC(C)C)on1 ZINC000044990944 411143110 /nfs/dbraw/zinc/14/31/10/411143110.db2.gz ISXNTQXRJYWKIC-UHFFFAOYSA-N 0 1 226.320 2.135 10 0 BEAEMN CC[N@H+](Cc1ccccn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000311056567 411310399 /nfs/dbraw/zinc/31/03/99/411310399.db2.gz YHJSSQKQJUMZFZ-UKRRQHHQSA-N 0 1 248.370 2.455 10 0 BEAEMN Cc1[nH]n(-c2ccc(Cl)cc2N)c(=O)c1C ZINC000103294909 168134113 /nfs/dbraw/zinc/13/41/13/168134113.db2.gz URDNGTLAZQAXDD-LURJTMIESA-N 0 1 237.690 2.281 10 0 BEAEMN C[C@H](C[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000042487884 168157779 /nfs/dbraw/zinc/15/77/79/168157779.db2.gz OYKJLDZIYBJWGI-HSOILSAZSA-N 0 1 213.321 2.218 10 0 BEAEMN CC1CCN(CC(=O)NCC2(C)CCC2)CC1 ZINC000122180658 168177901 /nfs/dbraw/zinc/17/79/01/168177901.db2.gz NGBWSMPJHQCRIJ-UHFFFAOYSA-N 0 1 238.375 2.025 10 0 BEAEMN CC1CC[NH+](Cc2csc(C(=O)[O-])n2)CC1 ZINC000036902680 168184750 /nfs/dbraw/zinc/18/47/50/168184750.db2.gz STQCZPHBBZOVQA-UHFFFAOYSA-N 0 1 240.328 2.073 10 0 BEAEMN CCC(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000019476217 168296184 /nfs/dbraw/zinc/29/61/84/168296184.db2.gz UZZZADIWCWVLEJ-CYBMUJFWSA-N 0 1 246.354 2.006 10 0 BEAEMN CN1CCCOC[C@H]1c1ccccc1F ZINC000616648328 411411706 /nfs/dbraw/zinc/41/17/06/411411706.db2.gz FKVBAEYZZPFCAY-LBPRGKRZSA-N 0 1 209.264 2.219 10 0 BEAEMN CCNCc1ncc(-c2ccccc2)o1 ZINC000033853284 170131862 /nfs/dbraw/zinc/13/18/62/170131862.db2.gz FZAKGBJMKHBCJA-UHFFFAOYSA-N 0 1 202.257 2.451 10 0 BEAEMN CCNCc1sc(OCC)nc1Cl ZINC000045206330 170132871 /nfs/dbraw/zinc/13/28/71/170132871.db2.gz MCMRIOYXSBDDKZ-UHFFFAOYSA-N 0 1 220.725 2.305 10 0 BEAEMN CCN[C@@H](C)c1nnc(-c2ccoc2C)o1 ZINC000050618689 170143211 /nfs/dbraw/zinc/14/32/11/170143211.db2.gz IHGAENAGZUONDI-ZETCQYMHSA-N 0 1 221.260 2.309 10 0 BEAEMN CCN[C@H]1c2ccc(SC)cc2NC1=O ZINC000103388098 170149649 /nfs/dbraw/zinc/14/96/49/170149649.db2.gz CFOAHMLJPDLOGI-JTQLQIEISA-N 0 1 222.313 2.011 10 0 BEAEMN CCN[C@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000037869552 170156369 /nfs/dbraw/zinc/15/63/69/170156369.db2.gz GMXUDTKCVOTIFT-VIFPVBQESA-N 0 1 247.125 2.129 10 0 BEAEMN CCN[C@H](CO)c1c(F)cccc1Cl ZINC000038120395 170162474 /nfs/dbraw/zinc/16/24/74/170162474.db2.gz OFTALOMDVQAVET-SECBINFHSA-N 0 1 217.671 2.122 10 0 BEAEMN CCN[C@H](c1cncc(F)c1)c1ccccn1 ZINC000049576289 170164792 /nfs/dbraw/zinc/16/47/92/170164792.db2.gz OKHBEIHEWFDWDO-CYBMUJFWSA-N 0 1 231.274 2.315 10 0 BEAEMN CCN[C@H](c1cccs1)c1nccn1C ZINC000037184569 170165255 /nfs/dbraw/zinc/16/52/55/170165255.db2.gz SCZDSZAYTSLZJD-SNVBAGLBSA-N 0 1 221.329 2.181 10 0 BEAEMN CCN[C@@H](c1cccs1)c1cnccn1 ZINC000040237955 170165393 /nfs/dbraw/zinc/16/53/93/170165393.db2.gz DYNQASYYFLKPMC-LLVKDONJSA-N 0 1 219.313 2.237 10 0 BEAEMN CCOC(=O)[C@@]1(N)C[C@H](C)CC(C)(C)C1 ZINC000037459915 170263436 /nfs/dbraw/zinc/26/34/36/170263436.db2.gz MXBISIMZUWCNIY-BXKDBHETSA-N 0 1 213.321 2.093 10 0 BEAEMN CCOC(=O)c1ccc2cncn2c1Cl ZINC000079062435 170298768 /nfs/dbraw/zinc/29/87/68/170298768.db2.gz IIYCGFMLOVBVHH-UHFFFAOYSA-N 0 1 224.647 2.164 10 0 BEAEMN CC[C@@](C)(N)c1noc(-c2ccccc2)n1 ZINC000042290302 171172561 /nfs/dbraw/zinc/17/25/61/171172561.db2.gz MXVLUWCYPVLYDQ-GFCCVEGCSA-N 0 1 217.272 2.321 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000365058103 171236209 /nfs/dbraw/zinc/23/62/09/171236209.db2.gz GTRMBWMZIPKNER-RKDXNWHRSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1nccs1 ZINC000365058103 171236211 /nfs/dbraw/zinc/23/62/11/171236211.db2.gz GTRMBWMZIPKNER-RKDXNWHRSA-N 0 1 240.328 2.143 10 0 BEAEMN CC[C@H](C(=O)c1ccccc1)N1CCC[C@@H]1CO ZINC000050150139 171241881 /nfs/dbraw/zinc/24/18/81/171241881.db2.gz CFJCOQUWLNVVOB-ZIAGYGMSSA-N 0 1 247.338 2.105 10 0 BEAEMN CC[C@H](C(N)=O)N(C)[C@@H](C)c1cccs1 ZINC000061679248 171243240 /nfs/dbraw/zinc/24/32/40/171243240.db2.gz WQIWBXCNBKZLQP-DTWKUNHWSA-N 0 1 226.345 2.005 10 0 BEAEMN CC[C@H](C)N(C)C(=O)[C@@H]1NCCc2ccccc21 ZINC000043512533 171303716 /nfs/dbraw/zinc/30/37/16/171303716.db2.gz YBYZUJYHOOBAEI-SMDDNHRTSA-N 0 1 246.354 2.130 10 0 BEAEMN CC[C@H](C)N(C)c1[nH+]c(C)ccc1C(=O)[O-] ZINC000054533524 171310219 /nfs/dbraw/zinc/31/02/19/171310219.db2.gz YYXNGPZVDMFFJZ-VIFPVBQESA-N 0 1 222.288 2.323 10 0 BEAEMN CCn1c(C)nnc1CN1[C@@H](C)CCC[C@@H]1C ZINC000108864119 172139302 /nfs/dbraw/zinc/13/93/02/172139302.db2.gz HFUDZAWWOWBGGT-QWRGUYRKSA-N 0 1 236.363 2.369 10 0 BEAEMN CCn1cc([C@@H](N)c2cccs2)cn1 ZINC000043469020 172195347 /nfs/dbraw/zinc/19/53/47/172195347.db2.gz KFFPYWAMCMMZLQ-SNVBAGLBSA-N 0 1 207.302 2.013 10 0 BEAEMN CCn1cccc1CNCc1ccco1 ZINC000045205830 172207983 /nfs/dbraw/zinc/20/79/83/172207983.db2.gz YUKOUPKHQUMJRH-UHFFFAOYSA-N 0 1 204.273 2.391 10 0 BEAEMN CCn1ccnc1[C@H](NC)c1cccs1 ZINC000041048683 172230482 /nfs/dbraw/zinc/23/04/82/172230482.db2.gz OUTYYOXKWRSLPB-SNVBAGLBSA-N 0 1 221.329 2.273 10 0 BEAEMN CN1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000040673514 173023972 /nfs/dbraw/zinc/02/39/72/173023972.db2.gz HBOVMRUVPVULED-SECBINFHSA-N 0 1 225.723 2.241 10 0 BEAEMN CNCC(=O)c1ccc(Cl)cc1Cl ZINC000041612344 173336377 /nfs/dbraw/zinc/33/63/77/173336377.db2.gz VIQWLSHNBWLTCC-UHFFFAOYSA-N 0 1 218.083 2.396 10 0 BEAEMN CNCc1csc(-c2ncccc2C)n1 ZINC000043616979 173393257 /nfs/dbraw/zinc/39/32/57/173393257.db2.gz YHKQBQZPCZEHTD-UHFFFAOYSA-N 0 1 219.313 2.233 10 0 BEAEMN CNCc1nc(N2CC[C@@H](C)C2)ccc1Cl ZINC000051448294 173395786 /nfs/dbraw/zinc/39/57/86/173395786.db2.gz HMEWURVWYBKXFO-SECBINFHSA-N 0 1 239.750 2.301 10 0 BEAEMN CNCc1ncc(-c2ccc(OC)cc2)o1 ZINC000077325987 173397457 /nfs/dbraw/zinc/39/74/57/173397457.db2.gz RBJKOJMBUFHXQF-UHFFFAOYSA-N 0 1 218.256 2.070 10 0 BEAEMN CNCc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000050615333 173398132 /nfs/dbraw/zinc/39/81/32/173398132.db2.gz YQQCBPIUXLSLPP-UHFFFAOYSA-N 0 1 217.272 2.073 10 0 BEAEMN COCCCCCN[C@@H](C)c1ncc(C)o1 ZINC000309962361 174182432 /nfs/dbraw/zinc/18/24/32/174182432.db2.gz LWSMTCUFCCOKLU-NSHDSACASA-N 0 1 226.320 2.450 10 0 BEAEMN COCCCn1c(N)nc2cccc(Cl)c21 ZINC000036899685 174266464 /nfs/dbraw/zinc/26/64/64/174266464.db2.gz HZFFUCVJLCICES-UHFFFAOYSA-N 0 1 239.706 2.308 10 0 BEAEMN COCCNC1=NC2(CS1)CCC(C)CC2 ZINC000053098584 174330178 /nfs/dbraw/zinc/33/01/78/174330178.db2.gz PITFIMJKHWPGRN-UHFFFAOYSA-N 0 1 242.388 2.274 10 0 BEAEMN COc1ccc(C)cc1C(=O)[C@@H](N)C(C)C ZINC000032013952 175073707 /nfs/dbraw/zinc/07/37/07/175073707.db2.gz HYZPPIYMCWIIDJ-LBPRGKRZSA-N 0 1 221.300 2.170 10 0 BEAEMN COc1ccc(C)cc1[C@H](N)c1ccccn1 ZINC000011832354 175081788 /nfs/dbraw/zinc/08/17/88/175081788.db2.gz ZQXDDOPEHZLYRT-AWEZNQCLSA-N 0 1 228.295 2.447 10 0 BEAEMN COc1ccc([C@@H](N)c2ccoc2)c(OC)c1 ZINC000035379817 175180342 /nfs/dbraw/zinc/18/03/42/175180342.db2.gz XCYFVLLJFDFSGW-ZDUSSCGKSA-N 0 1 233.267 2.345 10 0 BEAEMN COc1ccc2cc[nH+]c(NCCC(=O)[O-])c2c1 ZINC000082766030 175226374 /nfs/dbraw/zinc/22/63/74/175226374.db2.gz YEDNOSKBMMCKSX-UHFFFAOYSA-N 0 1 246.266 2.130 10 0 BEAEMN COc1ccc2sc([C@H](C)N)nc2c1 ZINC000074174274 175232415 /nfs/dbraw/zinc/23/24/15/175232415.db2.gz GFORNNHKFRCYLP-LURJTMIESA-N 0 1 208.286 2.325 10 0 BEAEMN COc1cccc(C(=O)[C@@H](N)CC(C)C)c1 ZINC000071522938 175247008 /nfs/dbraw/zinc/24/70/08/175247008.db2.gz IMSFYWQPQOKYPC-LBPRGKRZSA-N 0 1 221.300 2.251 10 0 BEAEMN COc1ccccc1[C@@H]1CSCCN1 ZINC000041218913 175349173 /nfs/dbraw/zinc/34/91/73/175349173.db2.gz XDPKROPREPVSAB-JTQLQIEISA-N 0 1 209.314 2.073 10 0 BEAEMN C[C@H](c1ncn(C)c1N)c1ccccc1 ZINC000104902236 176024079 /nfs/dbraw/zinc/02/40/79/176024079.db2.gz RXKPFWNYRGTHFD-VIFPVBQESA-N 0 1 201.273 2.154 10 0 BEAEMN C[C@@H]1CCC(=O)[C@@H](CN2CCOCC2(C)C)C1 ZINC000053929950 176060980 /nfs/dbraw/zinc/06/09/80/176060980.db2.gz GUKIQYXEPATGTN-VXGBXAGGSA-N 0 1 239.359 2.103 10 0 BEAEMN C[C@@H]1CCC[N@H+](Cc2csc(C(=O)[O-])n2)C1 ZINC000036902690 176102017 /nfs/dbraw/zinc/10/20/17/176102017.db2.gz UYVHWFYSEWASIO-MRVPVSSYSA-N 0 1 240.328 2.073 10 0 BEAEMN C[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])n2)C1 ZINC000036902690 176102018 /nfs/dbraw/zinc/10/20/18/176102018.db2.gz UYVHWFYSEWASIO-MRVPVSSYSA-N 0 1 240.328 2.073 10 0 BEAEMN C[C@@H]1CC[N@@H+](Cc2cccnc2C(=O)[O-])[C@H](C)C1 ZINC000062753004 176175654 /nfs/dbraw/zinc/17/56/54/176175654.db2.gz BVQGRZSWLJSRPA-GHMZBOCLSA-N 0 1 248.326 2.400 10 0 BEAEMN C[C@@H]1CCc2nc(C3(N)CC3)sc2C1 ZINC000083345583 176240246 /nfs/dbraw/zinc/24/02/46/176240246.db2.gz ZWCBFTAFUZYUDL-SSDOTTSWSA-N 0 1 208.330 2.216 10 0 BEAEMN C[C@@H]1CN(Cc2cccc3c2NCC3)C[C@@H](C)O1 ZINC000130464283 176306316 /nfs/dbraw/zinc/30/63/16/176306316.db2.gz USNYHOKYPURHIL-VXGBXAGGSA-N 0 1 246.354 2.264 10 0 BEAEMN C[C@@H]1CN([C@H]2CNc3ccccc3C2)[C@H](C)CO1 ZINC000037761130 176318415 /nfs/dbraw/zinc/31/84/15/176318415.db2.gz PAPGPRNYPJDXRF-YRGRVCCFSA-N 0 1 246.354 2.132 10 0 BEAEMN C[C@@H](NC1=N[C@H](C)CS1)c1ccccn1 ZINC000035695354 176348776 /nfs/dbraw/zinc/34/87/76/176348776.db2.gz AHBLDYHQRPRKOX-RKDXNWHRSA-N 0 1 221.329 2.224 10 0 BEAEMN C[C@H]1CC[C@H](NC(=O)CN(C)C)c2ccccc21 ZINC000124829174 177204659 /nfs/dbraw/zinc/20/46/59/177204659.db2.gz DJHRVXPZNRMBMQ-FZMZJTMJSA-N 0 1 246.354 2.303 10 0 BEAEMN C[C@H]1CNC[C@@H](c2cc(F)ccc2F)O1 ZINC000036986401 177285344 /nfs/dbraw/zinc/28/53/44/177285344.db2.gz OGCNUJJIONCYEV-CPCISQLKSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H]1CO[C@H](c2cc(F)ccc2F)CN1 ZINC000036673463 177302564 /nfs/dbraw/zinc/30/25/64/177302564.db2.gz LQUOGVNESKSVEG-CPCISQLKSA-N 0 1 213.227 2.014 10 0 BEAEMN C[C@H]1C[C@@H]1c1ccc(CNC2(CO)CC2)o1 ZINC000120374319 177351643 /nfs/dbraw/zinc/35/16/43/177351643.db2.gz QVVSAZXXUIDOPH-ONGXEEELSA-N 0 1 221.300 2.018 10 0 BEAEMN Cc1c(N)cccc1NC(=O)CN1CCC[C@H]1C ZINC000037909694 177613383 /nfs/dbraw/zinc/61/33/83/177613383.db2.gz ZRQRMBHLELHFJV-SNVBAGLBSA-N 0 1 247.342 2.000 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232722766 487642100 /nfs/dbraw/zinc/64/21/00/487642100.db2.gz PVSAMJHVSMDOLB-YPMHNXCESA-N 0 1 227.348 2.464 10 0 BEAEMN C[C@@H]1CCC[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000300215318 487772072 /nfs/dbraw/zinc/77/20/72/487772072.db2.gz ZHDNNRNPCWHUFQ-OPRDCNLKSA-N 0 1 221.304 2.398 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000307233947 487776567 /nfs/dbraw/zinc/77/65/67/487776567.db2.gz QVRMSSGVDFVWTB-OUAUKWLOSA-N 0 1 213.321 2.074 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000307233954 487776415 /nfs/dbraw/zinc/77/64/15/487776415.db2.gz QVRMSSGVDFVWTB-VWYCJHECSA-N 0 1 213.321 2.074 10 0 BEAEMN CC(C)[C@@H](C)[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000304150463 487873107 /nfs/dbraw/zinc/87/31/07/487873107.db2.gz CMZBVQQBERTRRR-SNVBAGLBSA-N 0 1 236.315 2.256 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000083412765 487908537 /nfs/dbraw/zinc/90/85/37/487908537.db2.gz FSBMBORUYFEDLA-CMPLNLGQSA-N 0 1 213.321 2.218 10 0 BEAEMN COc1ncccc1CNCc1ccc(O)cc1 ZINC000037408053 487950232 /nfs/dbraw/zinc/95/02/32/487950232.db2.gz BAWNMXISHYFCIB-UHFFFAOYSA-N 0 1 244.294 2.086 10 0 BEAEMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000302449690 487964537 /nfs/dbraw/zinc/96/45/37/487964537.db2.gz XGVFBNDKLHFNPG-WDEREUQCSA-N 0 1 248.326 2.400 10 0 BEAEMN Cc1ccc([C@@H](C)NCCn2ccccc2=O)o1 ZINC000211901993 487970132 /nfs/dbraw/zinc/97/01/32/487970132.db2.gz KWAZLFMNBIYZPK-GFCCVEGCSA-N 0 1 246.310 2.101 10 0 BEAEMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534419 487489818 /nfs/dbraw/zinc/48/98/18/487489818.db2.gz OFMGTKWSNRBMQX-WDEREUQCSA-N 0 1 248.326 2.400 10 0 BEAEMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000399534417 487489835 /nfs/dbraw/zinc/48/98/35/487489835.db2.gz OFMGTKWSNRBMQX-MNOVXSKESA-N 0 1 248.326 2.400 10 0 BEAEMN CNc1cc(C)nc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000074934151 490309683 /nfs/dbraw/zinc/30/96/83/490309683.db2.gz JNDLNSYUYIZWDP-NXEZZACHSA-N 0 1 234.347 2.309 10 0 BEAEMN CNc1cc(C)nc(N2CCC[C@@H](C)C2)n1 ZINC000074934141 490309745 /nfs/dbraw/zinc/30/97/45/490309745.db2.gz GMIYRDDOBGFAMR-SECBINFHSA-N 0 1 220.320 2.063 10 0 BEAEMN CC(C)CCN(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000133329814 491150892 /nfs/dbraw/zinc/15/08/92/491150892.db2.gz HYSGAMZNJVLDFD-LLVKDONJSA-N 0 1 249.358 2.334 10 0 BEAEMN C[C@H]1CCC[C@@]2(CC1)NC1(COC1)CCO2 ZINC000757151948 582535906 /nfs/dbraw/zinc/53/59/06/582535906.db2.gz UHFKCQRWVIQDGJ-WCQYABFASA-N 0 1 225.332 2.062 10 0 BEAEMN CC1(C)C[C@@H](O)c2cc3[nH]cnc3cc21 ZINC000057347029 520528223 /nfs/dbraw/zinc/52/82/23/520528223.db2.gz GIAUMBKASKASBS-LLVKDONJSA-N 0 1 202.257 2.278 10 0 BEAEMN CC/C=C(\C)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181174808 535228318 /nfs/dbraw/zinc/22/83/18/535228318.db2.gz YMSSTFUFXFOZEP-RUYJGKKWSA-N 0 1 248.330 2.215 10 0 BEAEMN c1cc2c(s1)[C@@H](c1cncs1)NCC2 ZINC000712526256 537850678 /nfs/dbraw/zinc/85/06/78/537850678.db2.gz IZIHSYQXRAYMQM-SECBINFHSA-N 0 1 222.338 2.440 10 0 BEAEMN c1csc([C@H]2CCNc3nccn32)c1 ZINC000232480357 566490805 /nfs/dbraw/zinc/49/08/05/566490805.db2.gz FDVHDFZLQVPPRC-MRVPVSSYSA-N 0 1 205.286 2.350 10 0 BEAEMN CCCCC(=O)c1nc(C)c(CN)s1 ZINC000757126904 582501555 /nfs/dbraw/zinc/50/15/55/582501555.db2.gz WMCDJPPBQLGDOT-UHFFFAOYSA-N 0 1 212.318 2.283 10 0 BEAEMN c1ccc([C@H]2CCO[C@@]3(CCCOC3)N2)cc1 ZINC000757143294 582523281 /nfs/dbraw/zinc/52/32/81/582523281.db2.gz VUORFAGZNIMXQU-ZIAGYGMSSA-N 0 1 233.311 2.244 10 0 BEAEMN CCc1cn2c(n1)NCC[C@H]2C(F)F ZINC000234178045 582605057 /nfs/dbraw/zinc/60/50/57/582605057.db2.gz GBFUPXPHXFYMAN-ZETCQYMHSA-N 0 1 201.220 2.067 10 0 BEAEMN Cc1cn2c(n1)N[C@H](c1ccncc1)CC2 ZINC000236044358 582636770 /nfs/dbraw/zinc/63/67/70/582636770.db2.gz LBIGCMRGDZSITF-NSHDSACASA-N 0 1 214.272 2.143 10 0 BEAEMN Cc1nn(C)cc1[C@H]1NCCc2sccc21 ZINC000397156663 583097812 /nfs/dbraw/zinc/09/78/12/583097812.db2.gz OPQIWRGEUPPWFK-LBPRGKRZSA-N 0 1 233.340 2.025 10 0 BEAEMN C[C@H]1C[C@]2(CC[N@@H+]1C)NCCc1sccc12 ZINC000397268316 583099478 /nfs/dbraw/zinc/09/94/78/583099478.db2.gz CFHKSBXMPGRABL-GWCFXTLKSA-N 0 1 236.384 2.203 10 0 BEAEMN C[C@@H](C(=O)C(F)F)C(=O)[C@@H]1CC1(C)C ZINC000397584191 583102540 /nfs/dbraw/zinc/10/25/40/583102540.db2.gz IKUFVYIDDLLKJX-RITPCOANSA-N 0 1 204.216 2.072 10 0 BEAEMN CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2cc(C)ccc2C)C1 ZINC000757183163 586433500 /nfs/dbraw/zinc/43/35/00/586433500.db2.gz CAZPCLFWGFMMHE-KGLIPLIRSA-N 0 1 247.338 2.423 10 0 BEAEMN CC[N@@H+]1C[C@@H](c2cccc(C)c2C)[C@H](C(=O)[O-])C1 ZINC000757194148 586436301 /nfs/dbraw/zinc/43/63/01/586436301.db2.gz YPUVFINYPPGDAY-UONOGXRCSA-N 0 1 247.338 2.423 10 0 BEAEMN CN[C@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000129808569 591410054 /nfs/dbraw/zinc/41/00/54/591410054.db2.gz HVDBMZUYXFNXBT-SECBINFHSA-N 0 1 247.298 2.334 10 0 BEAEMN CCOC[C@H](C)NCc1ccc(Cl)cn1 ZINC000132970126 592739986 /nfs/dbraw/zinc/73/99/86/592739986.db2.gz HRJZLKPICUQHOG-VIFPVBQESA-N 0 1 228.723 2.250 10 0 BEAEMN CCCc1noc(-c2csc([C@H](C)N)n2)n1 ZINC000085546964 631461709 /nfs/dbraw/zinc/46/17/09/631461709.db2.gz DWCGNWTYBXWTBN-LURJTMIESA-N 0 1 238.316 2.165 10 0 BEAEMN ClC1(Cl)C[C@H]1CNCc1ccccn1 ZINC000308716983 631533783 /nfs/dbraw/zinc/53/37/83/631533783.db2.gz BSAZWRNKOKKRCT-QMMMGPOBSA-N 0 1 231.126 2.365 10 0 BEAEMN CCN1CCC[C@H](Nc2nccnc2Cl)C1 ZINC000043538091 638555746 /nfs/dbraw/zinc/55/57/46/638555746.db2.gz LQVDSAPBUYKPDN-VIFPVBQESA-N 0 1 240.738 2.026 10 0 BEAEMN CCCN[C@@H](C)c1nc([C@H](OC)C2CC2)no1 ZINC000157228423 640640813 /nfs/dbraw/zinc/64/08/13/640640813.db2.gz NQNPJRXNJSBLRH-WCBMZHEXSA-N 0 1 239.319 2.228 10 0 BEAEMN CCCN[C@H](C)c1nc([C@@H](OC)C2CC2)no1 ZINC000157228857 640641040 /nfs/dbraw/zinc/64/10/40/640641040.db2.gz NQNPJRXNJSBLRH-SCZZXKLOSA-N 0 1 239.319 2.228 10 0 BEAEMN C[C@H](c1ccc(Cl)cc1)N(C)[C@@H](C)C(N)=O ZINC000062017013 641014785 /nfs/dbraw/zinc/01/47/85/641014785.db2.gz LTXQPVHWEQKVQY-BDAKNGLRSA-N 0 1 240.734 2.207 10 0 BEAEMN C[C@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000183154433 643092740 /nfs/dbraw/zinc/09/27/40/643092740.db2.gz ABIDIGMWKRZYAV-HZMBPMFUSA-N 0 1 248.301 2.354 10 0 BEAEMN N[C@H](CF)c1ccc(F)cc1OC(F)F ZINC000757136023 643276478 /nfs/dbraw/zinc/27/64/78/643276478.db2.gz YCLGKFZCOHWCSU-SSDOTTSWSA-N 0 1 223.169 2.396 10 0 BEAEMN NCc1ccc(-c2nc(CC3CCC3)no2)o1 ZINC000306095313 643297794 /nfs/dbraw/zinc/29/77/94/643297794.db2.gz MBFAYODVXZYARX-UHFFFAOYSA-N 0 1 233.271 2.131 10 0 BEAEMN CCCN[C@@H](C)c1nc(CC2CCC2)no1 ZINC000304677260 644926080 /nfs/dbraw/zinc/92/60/80/644926080.db2.gz YCNIBAHRDQBPJK-VIFPVBQESA-N 0 1 223.320 2.473 10 0 BEAEMN C[C@H]1C[N@@H+](Cc2ncccc2C(=O)[O-])C(C)(C)C1 ZINC000380400259 712900601 /nfs/dbraw/zinc/90/06/01/712900601.db2.gz OIRIHBMITVOQPF-SNVBAGLBSA-N 0 1 248.326 2.400 10 0 BEAEMN CC(=O)[C@@H]1CCCN(Cc2cc(C)cc(C)n2)C1 ZINC000723619399 711526612 /nfs/dbraw/zinc/52/66/12/711526612.db2.gz HUWOQNWNOPAHSK-CQSZACIVSA-N 0 1 246.354 2.499 10 0 BEAEMN CO[C@H]1C[C@@H](CN[C@@H](C)c2ncc(C)o2)C1 ZINC000721994571 711863237 /nfs/dbraw/zinc/86/32/37/711863237.db2.gz MAZMIOTVKCIADX-GARJFASQSA-N 0 1 224.304 2.059 10 0 BEAEMN CSC1CC(NCc2nc(C)c(C)[nH]2)C1 ZINC000709029464 712206081 /nfs/dbraw/zinc/20/60/81/712206081.db2.gz NGAYTLTZKAHMCU-UHFFFAOYSA-N 0 1 225.361 2.010 10 0 BEAEMN CCC[C@H]1C[C@@H]1NCc1nccn1C1CC1 ZINC000711817737 712332686 /nfs/dbraw/zinc/33/26/86/712332686.db2.gz NTMOGAZYYUOVFI-JQWIXIFHSA-N 0 1 219.332 2.496 10 0 BEAEMN COC(=O)c1sccc1CN[C@@H]1C[C@H]1C ZINC000378659275 712356572 /nfs/dbraw/zinc/35/65/72/712356572.db2.gz FLMWOBKANXHKOE-VXNVDRBHSA-N 0 1 225.313 2.033 10 0 BEAEMN CC[C@@H]1CC[C@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691546936 976365197 /nfs/dbraw/zinc/36/51/97/976365197.db2.gz CANPCFAZXWSKQC-WDEREUQCSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000691635233 976378380 /nfs/dbraw/zinc/37/83/80/976378380.db2.gz TVBHSVUNQYWRSM-GMTAPVOTSA-N 0 1 225.332 2.218 10 0 BEAEMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)[C@@H]1C ZINC000706911478 977367988 /nfs/dbraw/zinc/36/79/88/977367988.db2.gz BABVMQCCRZCBFI-CKYFFXLPSA-N 0 1 219.284 2.153 10 0 BEAEMN Cc1nc2c(n1Cc1ccc(N)nc1)CCCC2 ZINC000216932400 971694149 /nfs/dbraw/zinc/69/41/49/971694149.db2.gz PKJIDQIDHYYODY-UHFFFAOYSA-N 0 1 242.326 2.096 10 0 BEAEMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1CC2(CCC2)C1 ZINC000691881169 954689634 /nfs/dbraw/zinc/68/96/34/954689634.db2.gz SCDCSANTVJGNFT-NSHDSACASA-N 0 1 225.332 2.362 10 0 BEAEMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(C)C)C1 ZINC000694538240 954778165 /nfs/dbraw/zinc/77/81/65/954778165.db2.gz IQNOFAGJCXIVIQ-WDEREUQCSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1cscn1 ZINC000697901547 954833528 /nfs/dbraw/zinc/83/35/28/954833528.db2.gz TWBSEZRNRZSWRZ-SSDOTTSWSA-N 0 1 249.295 2.409 10 0 BEAEMN CC[C@H](CC(F)F)C[N@@H+](C)CCCC(=O)[O-] ZINC000699725033 954859051 /nfs/dbraw/zinc/85/90/51/954859051.db2.gz PMMCTUAWEZYNKN-SECBINFHSA-N 0 1 237.290 2.464 10 0 BEAEMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708533926 955000849 /nfs/dbraw/zinc/00/08/49/955000849.db2.gz YTORCKJTTQYYJZ-NXEZZACHSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000706735703 954955810 /nfs/dbraw/zinc/95/58/10/954955810.db2.gz UGZDEXFEVULWKG-NXEZZACHSA-N 0 1 219.284 2.225 10 0 BEAEMN CCCNCc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000051174846 958409431 /nfs/dbraw/zinc/40/94/31/958409431.db2.gz RWSKMJBFJAZKHB-UHFFFAOYSA-N 0 1 244.342 2.384 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000706339652 969015175 /nfs/dbraw/zinc/01/51/75/969015175.db2.gz AMWLEBFOFGMBDL-DTWKUNHWSA-N 0 1 235.274 2.073 10 0 BEAEMN Cc1coc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000718084715 969099398 /nfs/dbraw/zinc/09/93/98/969099398.db2.gz BFUMEBKMMCXVLS-JQWIXIFHSA-N 0 1 237.299 2.131 10 0 BEAEMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)c(F)c1 ZINC000686308236 976104084 /nfs/dbraw/zinc/10/40/84/976104084.db2.gz PBXCAZRZHRZFRM-UHFFFAOYSA-N 0 1 237.274 2.183 10 0 BEAEMN CSc1cccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000686957190 976124216 /nfs/dbraw/zinc/12/42/16/976124216.db2.gz YMZKVUSHHXLFCU-VIFPVBQESA-N 0 1 239.340 2.313 10 0 BEAEMN C[C@H]1CCC[C@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC000691628040 976378928 /nfs/dbraw/zinc/37/89/28/976378928.db2.gz LAFNUKPNKPQDAX-QWRGUYRKSA-N 0 1 225.332 2.362 10 0 BEAEMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000695084137 976776810 /nfs/dbraw/zinc/77/68/10/976776810.db2.gz RMAXJRGKNXMCMZ-RYUDHWBXSA-N 0 1 225.332 2.218 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCSC[C@H](C)C1 ZINC000695164963 976785041 /nfs/dbraw/zinc/78/50/41/976785041.db2.gz FDLFPBKZMDEWNA-GHMZBOCLSA-N 0 1 245.388 2.171 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCS[C@@H](C)CC1 ZINC000695166616 976787229 /nfs/dbraw/zinc/78/72/29/976787229.db2.gz MSWBWSWTNULZCZ-WDEREUQCSA-N 0 1 245.388 2.313 10 0 BEAEMN C[N@H+]1CCC[C@@H]1CCSCC(C)(C)C(=O)[O-] ZINC000700324956 976946487 /nfs/dbraw/zinc/94/64/87/976946487.db2.gz AJBHOBWPJSGJRY-SNVBAGLBSA-N 0 1 245.388 2.315 10 0 BEAEMN C[N@H+]1CCC[C@H]1CCSCC(C)(C)C(=O)[O-] ZINC000700324955 976946858 /nfs/dbraw/zinc/94/68/58/976946858.db2.gz AJBHOBWPJSGJRY-JTQLQIEISA-N 0 1 245.388 2.315 10 0 BEAEMN Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1C(=O)[O-] ZINC000701825154 977045486 /nfs/dbraw/zinc/04/54/86/977045486.db2.gz CZSIFIWTXGYVSY-LLVKDONJSA-N 0 1 237.274 2.237 10 0 BEAEMN Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1C(=O)[O-] ZINC000701825154 977045497 /nfs/dbraw/zinc/04/54/97/977045497.db2.gz CZSIFIWTXGYVSY-LLVKDONJSA-N 0 1 237.274 2.237 10 0 BEAEMN CCCCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000702744378 977118590 /nfs/dbraw/zinc/11/85/90/977118590.db2.gz XPDPPMOUGXZSQG-AAEUAGOBSA-N 0 1 243.347 2.131 10 0 BEAEMN CCCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000702744380 977118865 /nfs/dbraw/zinc/11/88/65/977118865.db2.gz XPDPPMOUGXZSQG-WCQYABFASA-N 0 1 243.347 2.131 10 0 BEAEMN C[C@H]1CCCCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000703667933 977175702 /nfs/dbraw/zinc/17/57/02/977175702.db2.gz HJHCRWQSXBMWET-JTQLQIEISA-N 0 1 234.299 2.406 10 0 BEAEMN O=C([O-])C1(Cn2cc[nH+]c2C2CC2)CCCC1 ZINC000704204543 977225252 /nfs/dbraw/zinc/22/52/52/977225252.db2.gz HUMLZUNFYSXENJ-UHFFFAOYSA-N 0 1 234.299 2.406 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000706039058 977306279 /nfs/dbraw/zinc/30/62/79/977306279.db2.gz RREHHZIMSSKQMP-GCMXNLHISA-N 0 1 223.316 2.282 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CC2)nc1 ZINC000706437920 977320705 /nfs/dbraw/zinc/32/07/05/977320705.db2.gz PMIFBEARKARUFM-ZDUSSCGKSA-N 0 1 246.310 2.154 10 0 BEAEMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000706774717 977361502 /nfs/dbraw/zinc/36/15/02/977361502.db2.gz NDAOBPKTRYJXOE-DTWKUNHWSA-N 0 1 237.274 2.364 10 0 BEAEMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)nc1 ZINC000706938345 977369857 /nfs/dbraw/zinc/36/98/57/977369857.db2.gz DSEJNORJQGGQHQ-DGCLKSJQSA-N 0 1 246.310 2.154 10 0 BEAEMN O=C([O-])c1coc(C[N@H+]2CCC23CCCC3)c1 ZINC000707307627 977382404 /nfs/dbraw/zinc/38/24/04/977382404.db2.gz QPDNVJRQVDDPHQ-UHFFFAOYSA-N 0 1 235.283 2.496 10 0 BEAEMN C[C@@H]1Cc2[nH+]cn(CC3(C(=O)[O-])CC3)c2C[C@@H]1C ZINC000709462654 977459553 /nfs/dbraw/zinc/45/95/53/977459553.db2.gz PQRPRCXSPFCAEN-ZJUUUORDSA-N 0 1 248.326 2.119 10 0 BEAEMN C[C@H]1C[N@@H+](CC2CCCC2)C[C@]1(C)C(=O)[O-] ZINC000710160281 977488703 /nfs/dbraw/zinc/48/87/03/977488703.db2.gz LOMCKCMPKARGGR-GWCFXTLKSA-N 0 1 225.332 2.219 10 0 BEAEMN Cc1ccoc1C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710279698 977500204 /nfs/dbraw/zinc/50/02/04/977500204.db2.gz SFPCVNTVWHHDBA-GWCFXTLKSA-N 0 1 237.299 2.131 10 0 BEAEMN C=C/C=C\CC[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000713711161 977657919 /nfs/dbraw/zinc/65/79/19/977657919.db2.gz QSFCPHSCVQIEHF-MVZIDQBPSA-N 0 1 223.316 2.448 10 0 BEAEMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000723140281 978172074 /nfs/dbraw/zinc/17/20/74/978172074.db2.gz PNTQMIFEXVQOQC-NOHGZBONSA-N 0 1 225.332 2.075 10 0 BEAEMN CC(C)(C)CCCOCC(F)(F)CN ZINC000685956110 538902174 /nfs/dbraw/zinc/90/21/74/538902174.db2.gz MWQLKENCOLLBJL-UHFFFAOYSA-N 0 1 209.280 2.423 10 0 BEAEMN CC[C@@H](C)C(=O)CNCc1ccccc1 ZINC000685960306 538907869 /nfs/dbraw/zinc/90/78/69/538907869.db2.gz DCBFCMWNNFCWAZ-LLVKDONJSA-N 0 1 205.301 2.391 10 0 BEAEMN CC[C@H](C)C(=O)CNCc1ccccc1 ZINC000685960307 538907897 /nfs/dbraw/zinc/90/78/97/538907897.db2.gz DCBFCMWNNFCWAZ-NSHDSACASA-N 0 1 205.301 2.391 10 0 BEAEMN CCCCC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000685961144 538908140 /nfs/dbraw/zinc/90/81/40/538908140.db2.gz CEGFIUUZEOVKAQ-CQSZACIVSA-N 0 1 248.370 2.205 10 0 BEAEMN CCCCCn1cc2c(n1)[C@@H](C)NC(=S)O2 ZINC000685965824 538912482 /nfs/dbraw/zinc/91/24/82/538912482.db2.gz UYHFKTKIJXYZHN-MRVPVSSYSA-N 0 1 239.344 2.401 10 0 BEAEMN CC[C@](C)([NH3+])c1nc(-c2cccs2)cc(=O)[n-]1 ZINC000071372504 398147721 /nfs/dbraw/zinc/14/77/21/398147721.db2.gz UFWAIXYMBNFHNX-LBPRGKRZSA-N 0 1 249.339 2.082 10 0 BEAEMN C[C@H]1CN[C@H](c2ccc(O)c(F)c2)S1 ZINC000232448131 398179071 /nfs/dbraw/zinc/17/90/71/398179071.db2.gz INOSUDMLJCMQAZ-WKEGUHRASA-N 0 1 213.277 2.255 10 0 BEAEMN C[C@H]1CN[C@@H](c2ccc(O)c(F)c2)S1 ZINC000232448127 398179249 /nfs/dbraw/zinc/17/92/49/398179249.db2.gz INOSUDMLJCMQAZ-QUBYGPBYSA-N 0 1 213.277 2.255 10 0 BEAEMN CCC[N@@H+](C)Cc1cc(F)cc(C(=O)[O-])c1 ZINC000163628116 538929628 /nfs/dbraw/zinc/92/96/28/538929628.db2.gz GLJYYCBDYKKIJK-UHFFFAOYSA-N 0 1 225.263 2.366 10 0 BEAEMN Cc1ccc([S-])c(Nc2cc(C)[nH+]c(N)n2)n1 ZINC000033884739 178192731 /nfs/dbraw/zinc/19/27/31/178192731.db2.gz PGPLPWPELYKDAP-UHFFFAOYSA-N 0 1 247.327 2.103 10 0 BEAEMN Cc1cc(=O)n(-c2ccc(Br)o2)[nH]1 ZINC000106994830 178200503 /nfs/dbraw/zinc/20/05/03/178200503.db2.gz DYPDSIBJHAQMEZ-UHFFFAOYSA-N 0 1 243.060 2.242 10 0 BEAEMN CN[C@@H](C)c1csc(N2CCCC2)n1 ZINC000070844235 361795368 /nfs/dbraw/zinc/79/53/68/361795368.db2.gz VGFMQUUGIOTLLU-QMMMGPOBSA-N 0 1 211.334 2.024 10 0 BEAEMN CCC(C(=O)C(F)F)=C(O)C1CCC1 ZINC000322896906 538939883 /nfs/dbraw/zinc/93/98/83/538939883.db2.gz FMIQAISFADQQLJ-SSDOTTSWSA-N 0 1 204.216 2.216 10 0 BEAEMN Cc1ccc(-c2nc([C@@H](C)N)no2)s1 ZINC000041052299 178336360 /nfs/dbraw/zinc/33/63/60/178336360.db2.gz BEPFQRJQNFTFEK-ZCFIWIBFSA-N 0 1 209.274 2.126 10 0 BEAEMN Cc1ccc(-c2nnc(NN)s2)c(C)c1 ZINC000028005832 178341220 /nfs/dbraw/zinc/34/12/20/178341220.db2.gz HIJZFUAFFSQCEU-UHFFFAOYSA-N 0 1 220.301 2.108 10 0 BEAEMN CCC(CC)[N@@H+](CCOC)[C@H](C(=O)[O-])C(C)C ZINC000042680287 168375450 /nfs/dbraw/zinc/37/54/50/168375450.db2.gz VUADBDGOSKWOGE-LBPRGKRZSA-N 0 1 245.363 2.233 10 0 BEAEMN Cc1ccc(C)c(NC(=O)N2CCNC[C@H]2C)c1 ZINC000335128646 398280589 /nfs/dbraw/zinc/28/05/89/398280589.db2.gz UEGMAPYJMKJYBU-GFCCVEGCSA-N 0 1 247.342 2.129 10 0 BEAEMN CC[C@H](N)C(=O)c1cscc1Br ZINC000226541842 342765245 /nfs/dbraw/zinc/76/52/45/342765245.db2.gz VIYLYQIWYWZQEO-ZETCQYMHSA-N 0 1 248.145 2.431 10 0 BEAEMN CC[C@@H](N)C(=O)c1c(F)ccc(C)c1F ZINC000226542349 342771479 /nfs/dbraw/zinc/77/14/79/342771479.db2.gz SIGNVKDYHCSWAC-MRVPVSSYSA-N 0 1 213.227 2.193 10 0 BEAEMN CCSCCNCc1nc(C)cs1 ZINC000128894452 398290047 /nfs/dbraw/zinc/29/00/47/398290047.db2.gz HZWFFQGQTKJAJX-UHFFFAOYSA-N 0 1 216.375 2.294 10 0 BEAEMN Oc1ccc([C@@H]2NCCc3occc32)cc1 ZINC000709987843 539027811 /nfs/dbraw/zinc/02/78/11/539027811.db2.gz BTOCMDMVEVBUPN-ZDUSSCGKSA-N 0 1 215.252 2.220 10 0 BEAEMN C[C@@H]1OCC[C@@H]1NCc1ccc(Cl)o1 ZINC000134534151 342863130 /nfs/dbraw/zinc/86/31/30/342863130.db2.gz RZRDDCIVXKCNKJ-CBAPKCEASA-N 0 1 215.680 2.200 10 0 BEAEMN CN1CCC[C@H](Nc2nc(Cl)cs2)C1 ZINC000164998430 342864347 /nfs/dbraw/zinc/86/43/47/342864347.db2.gz AEKYTHRSURIBHK-ZETCQYMHSA-N 0 1 231.752 2.303 10 0 BEAEMN Cc1nnc(CN[C@H]2CC[C@@H](C)C2)s1 ZINC000134664112 342875801 /nfs/dbraw/zinc/87/58/01/342875801.db2.gz JDGZDBNDFQASHR-APPZFPTMSA-N 0 1 211.334 2.125 10 0 BEAEMN CN(C[C@@H]1CC[N@@H+](C)C1)c1nc(Cl)cs1 ZINC000165187475 342880645 /nfs/dbraw/zinc/88/06/45/342880645.db2.gz JUHQCCXCFQWWMO-MRVPVSSYSA-N 0 1 245.779 2.184 10 0 BEAEMN COC[C@@H](N[C@H]1CCCSC1)c1ccco1 ZINC000128312183 398339830 /nfs/dbraw/zinc/33/98/30/398339830.db2.gz MRPJSNBFHLOKFU-WDEREUQCSA-N 0 1 241.356 2.452 10 0 BEAEMN COC[C@@H](N[C@@H]1CCCSC1)c1ccco1 ZINC000128311716 398339933 /nfs/dbraw/zinc/33/99/33/398339933.db2.gz MRPJSNBFHLOKFU-GHMZBOCLSA-N 0 1 241.356 2.452 10 0 BEAEMN CCCCC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181180053 534929329 /nfs/dbraw/zinc/92/93/29/534929329.db2.gz ACQSNFPGKGJLHQ-JTQLQIEISA-N 0 1 236.319 2.049 10 0 BEAEMN Cc1cc(Cl)cc2c(N)c(N)cnc12 ZINC000584882318 343084744 /nfs/dbraw/zinc/08/47/44/343084744.db2.gz CEVPHZUSXVTDAH-UHFFFAOYSA-N 0 1 207.664 2.361 10 0 BEAEMN CNc1c(N)cnc2cc(Cl)c(C)cc21 ZINC000584882631 343085224 /nfs/dbraw/zinc/08/52/24/343085224.db2.gz MHYVJIINARSVCX-UHFFFAOYSA-N 0 1 221.691 2.242 10 0 BEAEMN CC(C)Cc1nc(COc2ccccc2N)n[nH]1 ZINC000072237508 343088637 /nfs/dbraw/zinc/08/86/37/343088637.db2.gz DSYOPEJYXBHDFQ-UHFFFAOYSA-N 0 1 246.314 2.164 10 0 BEAEMN CC(C)c1cc(N)ccc1N1CCN(C)CC1 ZINC000144072421 343130040 /nfs/dbraw/zinc/13/00/40/343130040.db2.gz SOPQJMZBPXKXFY-UHFFFAOYSA-N 0 1 233.359 2.144 10 0 BEAEMN O=c1[nH]n(-c2ccccc2)cc1-c1ccncc1 ZINC000145167677 343220835 /nfs/dbraw/zinc/22/08/35/343220835.db2.gz SFKCOPADEDLCLY-UHFFFAOYSA-N 0 1 237.262 2.228 10 0 BEAEMN CC[C@@H](C)NC(=O)CN[C@H](C)c1cccs1 ZINC000035141827 343286543 /nfs/dbraw/zinc/28/65/43/343286543.db2.gz XOPRZLZPJCEUNG-NXEZZACHSA-N 0 1 240.372 2.313 10 0 BEAEMN Cc1nnc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)[nH]1 ZINC000163784547 136288918 /nfs/dbraw/zinc/28/89/18/136288918.db2.gz ZWMDRJOHYVEQIQ-QWRGUYRKSA-N 0 1 248.330 2.268 10 0 BEAEMN C[C@H]1Cc2nc[nH]c2[C@H](c2ccccc2)N1 ZINC000238468508 343257462 /nfs/dbraw/zinc/25/74/62/343257462.db2.gz HPBPDFQEUXPCQU-CABZTGNLSA-N 0 1 213.284 2.033 10 0 BEAEMN Nc1n[nH]c2cc(-c3ccccc3)ncc12 ZINC000034583584 343275573 /nfs/dbraw/zinc/27/55/73/343275573.db2.gz YIIGBGASUZHSAV-UHFFFAOYSA-N 0 1 210.240 2.207 10 0 BEAEMN CCn1nccc1[C@H]1NCCc2ccsc21 ZINC000712513637 537787296 /nfs/dbraw/zinc/78/72/96/537787296.db2.gz QGEPGCDPJYMZRE-LLVKDONJSA-N 0 1 233.340 2.200 10 0 BEAEMN Cc1cnn(C)c1[C@@H]1NCCc2ccsc21 ZINC000712512416 537787632 /nfs/dbraw/zinc/78/76/32/537787632.db2.gz JWGJCYCZSCUONR-JTQLQIEISA-N 0 1 233.340 2.025 10 0 BEAEMN Cc1cnn(C)c1[C@H]1NCCc2ccsc21 ZINC000712512417 537787802 /nfs/dbraw/zinc/78/78/02/537787802.db2.gz JWGJCYCZSCUONR-SNVBAGLBSA-N 0 1 233.340 2.025 10 0 BEAEMN Nc1n[nH]c2cnc(-c3ccccc3)cc12 ZINC000013489632 346949551 /nfs/dbraw/zinc/94/95/51/346949551.db2.gz LZRFNYHUQSRPCO-UHFFFAOYSA-N 0 1 210.240 2.207 10 0 BEAEMN CC(C)SCC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000379986544 343663254 /nfs/dbraw/zinc/66/32/54/343663254.db2.gz VGXGMEBAAFPOIR-LLVKDONJSA-N 0 1 231.361 2.067 10 0 BEAEMN CC1CCN(c2cc(N)nc(C3CC3)n2)CC1 ZINC000126852674 343786949 /nfs/dbraw/zinc/78/69/49/343786949.db2.gz HYOMVCJJJLDRKH-UHFFFAOYSA-N 0 1 232.331 2.173 10 0 BEAEMN Cc1ccc([C@H]2C[C@H](C(=O)[O-])C[N@@H+]2C)cc1 ZINC000212764812 343792008 /nfs/dbraw/zinc/79/20/08/343792008.db2.gz PMZAEKUGYPJACC-NWDGAFQWSA-N 0 1 219.284 2.072 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000409428385 343803023 /nfs/dbraw/zinc/80/30/23/343803023.db2.gz MWLSJUIBHXKFMJ-NSHDSACASA-N 0 1 231.295 2.249 10 0 BEAEMN O=C([O-])C1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC000409426643 343798573 /nfs/dbraw/zinc/79/85/73/343798573.db2.gz IJXCFITVECUFKC-VOMCLLRMSA-N 0 1 243.322 2.311 10 0 BEAEMN C[N@@H+]([C@H]1CCSC1)C1CCC(C(=O)[O-])CC1 ZINC000409434397 343831619 /nfs/dbraw/zinc/83/16/19/343831619.db2.gz OZZXLKBKXQTDLF-ILDUYXDCSA-N 0 1 243.372 2.067 10 0 BEAEMN C[N@H+]1C[C@@H](CO)C[C@H]1c1ccc(Cl)cc1 ZINC000409437628 343842956 /nfs/dbraw/zinc/84/29/56/343842956.db2.gz AKWHEZZITCJFAD-CABZTGNLSA-N 0 1 225.719 2.325 10 0 BEAEMN O=c1cc(C2CCC2)[nH]n1C[C@H]1CCCO1 ZINC000409439543 343847571 /nfs/dbraw/zinc/84/75/71/343847571.db2.gz PORYYQSAMTZWNN-SNVBAGLBSA-N 0 1 222.288 2.035 10 0 BEAEMN O=Cc1c(-c2ccccn2)n[nH]c1C1CC1 ZINC000409440225 343851016 /nfs/dbraw/zinc/85/10/16/343851016.db2.gz LPJUVJUNNRXGKC-UHFFFAOYSA-N 0 1 213.240 2.162 10 0 BEAEMN CC(C)Cc1[nH]nc(C2CCOCC2)c1C=O ZINC000409442334 343858053 /nfs/dbraw/zinc/85/80/53/343858053.db2.gz YYDFCWSGCRQXIG-UHFFFAOYSA-N 0 1 236.315 2.315 10 0 BEAEMN Nc1ccncc1C(=O)C1CCCCC1 ZINC000000014636 343867805 /nfs/dbraw/zinc/86/78/05/343867805.db2.gz AYEHWOSQMXSIMD-UHFFFAOYSA-N 0 1 204.273 2.427 10 0 BEAEMN C/C(=C\C(=O)[O-])C[N@H+]1CCCC(C)(C)C1 ZINC000069793507 343943201 /nfs/dbraw/zinc/94/32/01/343943201.db2.gz GYYFKAWMCKVUGD-JXMROGBWSA-N 0 1 211.305 2.139 10 0 BEAEMN Cc1ccc(CNCc2ccnc(C)n2)cc1 ZINC000037997720 178615263 /nfs/dbraw/zinc/61/52/63/178615263.db2.gz ZYOCQBGSDKHNAX-UHFFFAOYSA-N 0 1 227.311 2.383 10 0 BEAEMN CSC[C@H](C)Nc1ncc(N)cc1C ZINC000127222753 344055139 /nfs/dbraw/zinc/05/51/39/344055139.db2.gz CUEVXHUDIYDEEM-QMMMGPOBSA-N 0 1 211.334 2.136 10 0 BEAEMN NCc1ncc(-c2ccccc2F)s1 ZINC000220301801 344149382 /nfs/dbraw/zinc/14/93/82/344149382.db2.gz OXQBMEAJYHHKCK-UHFFFAOYSA-N 0 1 208.261 2.408 10 0 BEAEMN C[C@@H]1CC[C@H](Nc2nc[nH]c(=O)c2Cl)C1 ZINC000165979937 344264118 /nfs/dbraw/zinc/26/41/18/344264118.db2.gz URJOUDOENAJFHY-RQJHMYQMSA-N 0 1 227.695 2.024 10 0 BEAEMN O=c1cc(-c2cc(Cl)sc2Cl)[nH][nH]1 ZINC000236045477 344287171 /nfs/dbraw/zinc/28/71/71/344287171.db2.gz HNRNQVRLSFGNKZ-UHFFFAOYSA-N 0 1 235.095 2.279 10 0 BEAEMN Nc1c(Cl)ccc(Cl)c1-c1nnc[nH]1 ZINC000236321294 344355103 /nfs/dbraw/zinc/35/51/03/344355103.db2.gz HFWASIHSUXGZPK-UHFFFAOYSA-N 0 1 229.070 2.361 10 0 BEAEMN CC(=O)N1CC[C@@H](c2cnc[nH]2)c2ccccc21 ZINC000616587760 344302522 /nfs/dbraw/zinc/30/25/22/344302522.db2.gz RDTUHBRUNQKRAP-LLVKDONJSA-N 0 1 241.294 2.298 10 0 BEAEMN CC(=O)CCN(C)Cc1cccc(F)c1 ZINC000047979724 344581406 /nfs/dbraw/zinc/58/14/06/344581406.db2.gz KERJKRQDYSYTQG-UHFFFAOYSA-N 0 1 209.264 2.237 10 0 BEAEMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1cccs1 ZINC000227624271 344672648 /nfs/dbraw/zinc/67/26/48/344672648.db2.gz VSFBHOMWAWDIKF-PSASIEDQSA-N 0 1 225.313 2.358 10 0 BEAEMN O=Cc1nc2c([nH]1)-c1ccc(Cl)cc1C2 ZINC000127924578 344682716 /nfs/dbraw/zinc/68/27/16/344682716.db2.gz FUCFKZDDAJESKI-UHFFFAOYSA-N 0 1 218.643 2.447 10 0 BEAEMN C[C@@H](Nc1ccc(Cl)cn1)c1nnc[nH]1 ZINC000230430709 344683837 /nfs/dbraw/zinc/68/38/37/344683837.db2.gz LIOAJCUHWAJWKG-ZCFIWIBFSA-N 0 1 223.667 2.026 10 0 BEAEMN COC(=O)[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000050347491 344783729 /nfs/dbraw/zinc/78/37/29/344783729.db2.gz HKZJETMHPJLVNF-JTQLQIEISA-N 0 1 227.348 2.306 10 0 BEAEMN Cc1[nH]n(C)c(=O)c1-c1cccc(F)c1 ZINC000675053365 537866537 /nfs/dbraw/zinc/86/65/37/537866537.db2.gz GWTWYUXDLVMSIC-UHFFFAOYSA-N 0 1 206.220 2.240 10 0 BEAEMN CNCc1nc(NC(C)C)ccc1Cl ZINC000166341359 344862071 /nfs/dbraw/zinc/86/20/71/344862071.db2.gz KJJVDXSFBRNDFJ-UHFFFAOYSA-N 0 1 213.712 2.275 10 0 BEAEMN C[C@@H]1SCC[C@]12NCC[C@@H](C)S2 ZINC000235332793 344887107 /nfs/dbraw/zinc/88/71/07/344887107.db2.gz RFAIRHLRQXDYIU-HRDYMLBCSA-N 0 1 203.376 2.323 10 0 BEAEMN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1CC(C)(C)C ZINC000235338827 344887315 /nfs/dbraw/zinc/88/73/15/344887315.db2.gz ABJFUDFLKDLFCX-ZJUUUORDSA-N 0 1 213.321 2.218 10 0 BEAEMN CCN[C@@H](C)c1cn(Cc2ccc(C)cc2)nn1 ZINC000311130020 344923647 /nfs/dbraw/zinc/92/36/47/344923647.db2.gz ZSOHGSVXGLPAKF-LBPRGKRZSA-N 0 1 244.342 2.305 10 0 BEAEMN CCN[C@H](C)c1cn(Cc2ccc(C)cc2)nn1 ZINC000311130018 344924074 /nfs/dbraw/zinc/92/40/74/344924074.db2.gz ZSOHGSVXGLPAKF-GFCCVEGCSA-N 0 1 244.342 2.305 10 0 BEAEMN C[C@H]1CCC[C@H](CN2CCC(=O)CC2)C1 ZINC000235607299 344953436 /nfs/dbraw/zinc/95/34/36/344953436.db2.gz FVEYWUUVLZVRRH-RYUDHWBXSA-N 0 1 209.333 2.478 10 0 BEAEMN C[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(C)(C)C ZINC000235638023 344961300 /nfs/dbraw/zinc/96/13/00/344961300.db2.gz ABJFUDFLKDLFCX-VHSXEESVSA-N 0 1 213.321 2.218 10 0 BEAEMN CC(C)c1[nH]oc(=O)c1Br ZINC000157383528 345257972 /nfs/dbraw/zinc/25/79/72/345257972.db2.gz XSHUYMDRFLMAKP-UHFFFAOYSA-N 0 1 206.039 2.266 10 0 BEAEMN O=c1oc2cc(O)cc(O)c2c2ccsc21 ZINC000205864878 345757272 /nfs/dbraw/zinc/75/72/72/345757272.db2.gz LNMFHORLGXVWBV-UHFFFAOYSA-N 0 1 234.232 2.419 10 0 BEAEMN C[C@H](Sc1ncc(O)c(=O)[nH]1)c1ccccc1 ZINC000206349232 345757950 /nfs/dbraw/zinc/75/79/50/345757950.db2.gz WSESDAQWBWEVGB-QMMMGPOBSA-N 0 1 248.307 2.329 10 0 BEAEMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC000204500470 345732020 /nfs/dbraw/zinc/73/20/20/345732020.db2.gz SGWMUNSBOHDMKG-GFCCVEGCSA-N 0 1 236.315 2.013 10 0 BEAEMN Oc1ccc(CNCc2ccoc2)cc1 ZINC000136062586 345784955 /nfs/dbraw/zinc/78/49/55/345784955.db2.gz IASCSVZJIDLDNH-UHFFFAOYSA-N 0 1 203.241 2.275 10 0 BEAEMN CCCc1c([O-])[nH]c2cc(OC)ccc2c1=O ZINC000034546683 345831585 /nfs/dbraw/zinc/83/15/85/345831585.db2.gz UZVYLTLWPWGSPO-UHFFFAOYSA-N 0 1 233.267 2.195 10 0 BEAEMN CCCc1c(O)[nH]c2cc(OC)ccc2c1=O ZINC000034546683 345831590 /nfs/dbraw/zinc/83/15/90/345831590.db2.gz UZVYLTLWPWGSPO-UHFFFAOYSA-N 0 1 233.267 2.195 10 0 BEAEMN Cc1ccc(CC(=O)C2(N)CC2)c(Cl)c1 ZINC000235874540 345956121 /nfs/dbraw/zinc/95/61/21/345956121.db2.gz DVONAUFHRLIFPL-UHFFFAOYSA-N 0 1 223.703 2.251 10 0 BEAEMN CC(C)[N@H+]1CCc2c(C(=O)[O-])csc2C1 ZINC000149123809 346554947 /nfs/dbraw/zinc/55/49/47/346554947.db2.gz GEHOXQIGKQEUAX-UHFFFAOYSA-N 0 1 225.313 2.213 10 0 BEAEMN Cc1ccoc1[C@@H](N)Cc1nccs1 ZINC000163893450 346581532 /nfs/dbraw/zinc/58/15/32/346581532.db2.gz BBSHSLGARUEPDQ-QMMMGPOBSA-N 0 1 208.286 2.287 10 0 BEAEMN Cc1ccoc1[C@H](N)Cc1nccs1 ZINC000163893326 346581659 /nfs/dbraw/zinc/58/16/59/346581659.db2.gz BBSHSLGARUEPDQ-MRVPVSSYSA-N 0 1 208.286 2.287 10 0 BEAEMN CCCc1nc([C@@]2(C)CCCS2)n[nH]1 ZINC000164761137 346623585 /nfs/dbraw/zinc/62/35/85/346623585.db2.gz YHVDPUZTVJVADC-SNVBAGLBSA-N 0 1 211.334 2.499 10 0 BEAEMN C[C@@H](N)c1noc(-c2ccc(Cl)o2)n1 ZINC000225440912 370647654 /nfs/dbraw/zinc/64/76/54/370647654.db2.gz PNHYFTZJQYHNSE-SCSAIBSYSA-N 0 1 213.624 2.003 10 0 BEAEMN CC(C)[C@@H](N)C(=O)c1cc(F)cc(F)c1 ZINC000167820060 347227512 /nfs/dbraw/zinc/22/75/12/347227512.db2.gz PJQPDSANXJFMEW-SNVBAGLBSA-N 0 1 213.227 2.131 10 0 BEAEMN CC(C)c1c(Cl)ncnc1NN(C)C ZINC000149623746 347382047 /nfs/dbraw/zinc/38/20/47/347382047.db2.gz RZZJBJSWNOVUGM-UHFFFAOYSA-N 0 1 214.700 2.142 10 0 BEAEMN Cc1ccccc1-c1c[nH+]c(N)cc1C(=O)[O-] ZINC000065347043 179237231 /nfs/dbraw/zinc/23/72/31/179237231.db2.gz UXGXGNFUUKAYBR-UHFFFAOYSA-N 0 1 228.251 2.337 10 0 BEAEMN CNCc1csc([C@H]2CC[C@@H](C)O2)n1 ZINC000149939150 347570671 /nfs/dbraw/zinc/57/06/71/347570671.db2.gz WRJISYHYEIFNPA-VXNVDRBHSA-N 0 1 212.318 2.103 10 0 BEAEMN Cc1ccccc1CCc1nc([C@H](C)N)no1 ZINC000051986413 179267650 /nfs/dbraw/zinc/26/76/50/179267650.db2.gz DWSOSQXXLXFNBN-JTQLQIEISA-N 0 1 231.299 2.183 10 0 BEAEMN Fc1c(Br)cccc1-c1nc[nH]n1 ZINC000725244046 537996431 /nfs/dbraw/zinc/99/64/31/537996431.db2.gz GZIKYPTZJLVFFJ-UHFFFAOYSA-N 0 1 242.051 2.373 10 0 BEAEMN Cc1cccnc1-c1noc(CNC(C)(C)C)n1 ZINC000104307773 179359618 /nfs/dbraw/zinc/35/96/18/179359618.db2.gz RNQMNPXRDDATRI-UHFFFAOYSA-N 0 1 246.314 2.328 10 0 BEAEMN CC(C)=CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000303080162 187391613 /nfs/dbraw/zinc/39/16/13/187391613.db2.gz IJUDDGRDOHRQLV-OLZOCXBDSA-N 0 1 236.359 2.038 10 0 BEAEMN C[C@@H]([N@H+]1CCCC[C@H]1C(=O)[O-])C1(C)CC1 ZINC000251469813 362879245 /nfs/dbraw/zinc/87/92/45/362879245.db2.gz DMFCBBKQDCFCMK-ZJUUUORDSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251693185 362899244 /nfs/dbraw/zinc/89/92/44/362899244.db2.gz AXILZYGZFANPNQ-YTWAJWBKSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1C1CCCC1 ZINC000251547286 362886353 /nfs/dbraw/zinc/88/63/53/362886353.db2.gz LSZJWULJOOLQFY-KOLCDFICSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000251577376 362888156 /nfs/dbraw/zinc/88/81/56/362888156.db2.gz WQTTYSGVNXBPEG-ZJUUUORDSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000251597000 362889450 /nfs/dbraw/zinc/88/94/50/362889450.db2.gz BNPMEYZZGUHRAV-MXWKQRLJSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)(C)C1CCN(c2nccnc2CN)CC1 ZINC000054378159 1172109179 /nfs/dbraw/zinc/10/91/79/1172109179.db2.gz BEDKGIXCZVLUAQ-UHFFFAOYSA-N 0 1 248.374 2.198 10 0 BEAEMN C[C@@]1(C(=O)[O-])CC[N@H+](C2CCCCC2)C1 ZINC000062936061 349125270 /nfs/dbraw/zinc/12/52/70/349125270.db2.gz UGWUYXJYZCXHSE-GFCCVEGCSA-N 0 1 211.305 2.116 10 0 BEAEMN O=C([O-])[C@@H]1CC[N@H+]2C[C@H](c3ccccc3)C[C@H]2C1 ZINC000725254244 538043779 /nfs/dbraw/zinc/04/37/79/538043779.db2.gz YPYWCWPJUGJLMB-MGPQQGTHSA-N 0 1 245.322 2.339 10 0 BEAEMN CC(C)(C)[C@@H]1C[C@@H]2CC[C@H](C(=O)[O-])C[N@H+]2C1 ZINC000725254205 538043933 /nfs/dbraw/zinc/04/39/33/538043933.db2.gz UOCYFYVGKKMASA-AXFHLTTASA-N 0 1 225.332 2.218 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@H]2C[C@@H](c3ccccc3)C[N@H+]2C1 ZINC000725254189 538043951 /nfs/dbraw/zinc/04/39/51/538043951.db2.gz RRBDDUVDLUPNRY-MCIONIFRSA-N 0 1 245.322 2.339 10 0 BEAEMN O=C([O-])[C@@H]1CC[C@@H]2C[C@@H](c3ccccc3)C[N@H+]2C1 ZINC000725254190 538044000 /nfs/dbraw/zinc/04/40/00/538044000.db2.gz RRBDDUVDLUPNRY-MGPQQGTHSA-N 0 1 245.322 2.339 10 0 BEAEMN Cc1cn[nH]c1CN[C@@H](C)c1csc(C)n1 ZINC000309781798 180051396 /nfs/dbraw/zinc/05/13/96/180051396.db2.gz NAVPSTZYHXQCRX-QMMMGPOBSA-N 0 1 236.344 2.334 10 0 BEAEMN Cc1nc([C@]2(N)C[C@H](C)CC(C)(C)C2)no1 ZINC000036762409 180059101 /nfs/dbraw/zinc/05/91/01/180059101.db2.gz QRCKZJUMXYBVQZ-PELKAZGASA-N 0 1 223.320 2.378 10 0 BEAEMN Cc1ncc(CNC2=NC(C)(C)CS2)s1 ZINC000049534272 180149837 /nfs/dbraw/zinc/14/98/37/180149837.db2.gz DCQYOMFGXYPQIY-UHFFFAOYSA-N 0 1 241.385 2.423 10 0 BEAEMN Cc1nccc(CN[C@@H](C)c2ccc(O)cc2)n1 ZINC000038037355 180190857 /nfs/dbraw/zinc/19/08/57/180190857.db2.gz VSIITGZJEZQEJP-JTQLQIEISA-N 0 1 243.310 2.341 10 0 BEAEMN C[C@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)[C@H]1C ZINC000252211717 538085111 /nfs/dbraw/zinc/08/51/11/538085111.db2.gz WMXFNLJFXHRYJR-UWVGGRQHSA-N 0 1 234.299 2.405 10 0 BEAEMN C[N@H+]1CCO[C@@H](c2cccc(F)c2)CC1 ZINC000616592534 350464438 /nfs/dbraw/zinc/46/44/38/350464438.db2.gz BNICMKULJPMJMS-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CN1CCO[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616593346 350579748 /nfs/dbraw/zinc/57/97/48/350579748.db2.gz IXFVATUFMPBXAH-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(=O)Nc1ccccc1[C@@H]1CCOCCN1C ZINC000616598219 350657171 /nfs/dbraw/zinc/65/71/71/350657171.db2.gz MZYDBXDYQCZAOD-AWEZNQCLSA-N 0 1 248.326 2.038 10 0 BEAEMN CN1CCCOC[C@@H]1c1cccc(F)c1 ZINC000616600019 350778773 /nfs/dbraw/zinc/77/87/73/350778773.db2.gz XCVUIWRTXSUTPZ-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN COc1nc([C@H]2CCCCCN2)cs1 ZINC000306701953 350850958 /nfs/dbraw/zinc/85/09/58/350850958.db2.gz HHLIOLCZIRFGAX-MRVPVSSYSA-N 0 1 212.318 2.356 10 0 BEAEMN C[N@H+]1CCCCC[C@H]1c1cccnc1N ZINC000616620231 350937658 /nfs/dbraw/zinc/93/76/58/350937658.db2.gz DGOWEERXTWHNQF-NSHDSACASA-N 0 1 205.305 2.211 10 0 BEAEMN CC(C)(C)[C@@H]1CN=C(NCC(F)F)S1 ZINC000306715104 350876891 /nfs/dbraw/zinc/87/68/91/350876891.db2.gz YGKAAUJFLWQYSS-LURJTMIESA-N 0 1 222.304 2.359 10 0 BEAEMN C[N@@H+]([C@H]1CC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000250442904 350881271 /nfs/dbraw/zinc/88/12/71/350881271.db2.gz UEXVRFMGMKOWTM-MNOVXSKESA-N 0 1 211.305 2.114 10 0 BEAEMN CO[C@H](C(C)C)[C@@H]1NCC[C@H](C)S1 ZINC000306761849 350987781 /nfs/dbraw/zinc/98/77/81/350987781.db2.gz DFAGZPFHFAOTRM-IVZWLZJFSA-N 0 1 203.351 2.099 10 0 BEAEMN Cc1nnc(CN2CCC[C@H]3CCCC[C@@H]32)n1C ZINC000052440212 351000133 /nfs/dbraw/zinc/00/01/33/351000133.db2.gz VQQIBAYQQVUOPY-OLZOCXBDSA-N 0 1 248.374 2.278 10 0 BEAEMN CC(C)N1CCCCC[C@@H]1c1conn1 ZINC000616622446 351086065 /nfs/dbraw/zinc/08/60/65/351086065.db2.gz CGDGYEZPPSNMCX-LLVKDONJSA-N 0 1 209.293 2.395 10 0 BEAEMN C[N@H+]1CCCOC[C@@H]1c1ccccc1F ZINC000616645907 351169501 /nfs/dbraw/zinc/16/95/01/351169501.db2.gz FKVBAEYZZPFCAY-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CN1CCCOC[C@@H]1c1ccccc1F ZINC000616645907 351169503 /nfs/dbraw/zinc/16/95/03/351169503.db2.gz FKVBAEYZZPFCAY-GFCCVEGCSA-N 0 1 209.264 2.219 10 0 BEAEMN CC[N@H+]1CCCOC[C@@H]1c1ccccc1C(=O)[O-] ZINC000616646150 351170217 /nfs/dbraw/zinc/17/02/17/351170217.db2.gz OLCKPADRVQPWSE-CYBMUJFWSA-N 0 1 249.310 2.168 10 0 BEAEMN CC(C)(C)N1CCOCC[C@@H]1c1ccno1 ZINC000616655480 351193805 /nfs/dbraw/zinc/19/38/05/351193805.db2.gz DXXWHXCWAUHEDC-SNVBAGLBSA-N 0 1 224.304 2.237 10 0 BEAEMN CC(=O)Nc1ccc([C@@H]2CC[N@@H+](C)CCO2)cc1 ZINC000616686954 351257562 /nfs/dbraw/zinc/25/75/62/351257562.db2.gz NABNUPOTVIIYFH-AWEZNQCLSA-N 0 1 248.326 2.038 10 0 BEAEMN CC(C)(C)N1CCOCC[C@@H]1c1ccncn1 ZINC000616656679 351196658 /nfs/dbraw/zinc/19/66/58/351196658.db2.gz YLYGYDXYTWSOKD-GFCCVEGCSA-N 0 1 235.331 2.039 10 0 BEAEMN CN1CCOCC[C@@H]1c1cnnc2ccccc21 ZINC000616655650 351200520 /nfs/dbraw/zinc/20/05/20/351200520.db2.gz JQUVIMXRSHZDNV-CQSZACIVSA-N 0 1 243.310 2.023 10 0 BEAEMN CC(C)(C)[N@H+]1CCOCC[C@H]1c1cnco1 ZINC000616656118 351201777 /nfs/dbraw/zinc/20/17/77/351201777.db2.gz JVPHICCXSFNWRH-JTQLQIEISA-N 0 1 224.304 2.237 10 0 BEAEMN CC(C)(C)N1CCOCC[C@H]1c1cnco1 ZINC000616656118 351201779 /nfs/dbraw/zinc/20/17/79/351201779.db2.gz JVPHICCXSFNWRH-JTQLQIEISA-N 0 1 224.304 2.237 10 0 BEAEMN CC[N@H+]1CCOC[C@@H](c2ccc(OC)cc2)C1 ZINC000616662274 351217446 /nfs/dbraw/zinc/21/74/46/351217446.db2.gz ZXDILYFMRRQLAE-ZDUSSCGKSA-N 0 1 235.327 2.131 10 0 BEAEMN CC[C@H](N)c1occc1Br ZINC000068982330 351319861 /nfs/dbraw/zinc/31/98/61/351319861.db2.gz PWXYFMVQLDWKLW-LURJTMIESA-N 0 1 204.067 2.452 10 0 BEAEMN Clc1cccc(CNCc2cncnc2)c1 ZINC000054768254 180589954 /nfs/dbraw/zinc/58/99/54/180589954.db2.gz YVFQSWRJYUQMCT-UHFFFAOYSA-N 0 1 233.702 2.420 10 0 BEAEMN CC1(C)CC[C@H]1[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000307121326 351489629 /nfs/dbraw/zinc/48/96/29/351489629.db2.gz IXXPIYHZZABBHE-BXKDBHETSA-N 0 1 211.305 2.114 10 0 BEAEMN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1[C@H](C)CCC[C@@H]1C ZINC000252108099 363069380 /nfs/dbraw/zinc/06/93/80/363069380.db2.gz HITLCHJQBZFZBD-ZRUFSTJUSA-N 0 1 213.321 2.216 10 0 BEAEMN C[C@@H](CC(=O)[O-])[N@H+]1CCC2(CCCC2)C1 ZINC000307300905 351925935 /nfs/dbraw/zinc/92/59/35/351925935.db2.gz SUSZWXSHBOZYHX-JTQLQIEISA-N 0 1 211.305 2.116 10 0 BEAEMN CC[C@@H](N)C(=O)c1cc(F)c(F)cc1F ZINC000307341817 352091202 /nfs/dbraw/zinc/09/12/02/352091202.db2.gz VHCLGEUMKGMAHO-SECBINFHSA-N 0 1 217.190 2.024 10 0 BEAEMN CCN(C)Cc1cc(N)ccc1Br ZINC000149893316 538102878 /nfs/dbraw/zinc/10/28/78/538102878.db2.gz XZYFRTMAJKVPGY-UHFFFAOYSA-N 0 1 243.148 2.483 10 0 BEAEMN COc1cc2nccc(N)c2cc1Cl ZINC000232205084 352335064 /nfs/dbraw/zinc/33/50/64/352335064.db2.gz FVFMDIKYLFKCGK-UHFFFAOYSA-N 0 1 208.648 2.479 10 0 BEAEMN C[C@@]1([C@H](N)c2ccsn2)CCCCO1 ZINC000307450636 352601153 /nfs/dbraw/zinc/60/11/53/352601153.db2.gz OVOHYRVKLIASJN-ZJUUUORDSA-N 0 1 212.318 2.102 10 0 BEAEMN CCS[C@H]1CCC[C@@H]1N1CCC(=O)CC1 ZINC000300391815 352562278 /nfs/dbraw/zinc/56/22/78/352562278.db2.gz UEDMDHHFDWIXRS-RYUDHWBXSA-N 0 1 227.373 2.326 10 0 BEAEMN CCn1cnc([C@H]2CCCSC2)c1N ZINC000307540195 352644072 /nfs/dbraw/zinc/64/40/72/352644072.db2.gz VRLLVFYRLZLEPT-QMMMGPOBSA-N 0 1 211.334 2.096 10 0 BEAEMN C[C@@H](NC1=N[C@@H](C)CCS1)C(F)F ZINC000307540695 352644228 /nfs/dbraw/zinc/64/42/28/352644228.db2.gz AFEPBVUNJKERBY-NTSWFWBYSA-N 0 1 208.277 2.111 10 0 BEAEMN Cc1cnc(-c2ncc(CN)s2)s1 ZINC000307564918 352652540 /nfs/dbraw/zinc/65/25/40/352652540.db2.gz MHKNGFGPIYDZOM-UHFFFAOYSA-N 0 1 211.315 2.034 10 0 BEAEMN COc1nc([C@H]2C[C@@H](C)CCN2)cs1 ZINC000307608746 352667288 /nfs/dbraw/zinc/66/72/88/352667288.db2.gz DDWWXGGLUSATCL-JGVFFNPUSA-N 0 1 212.318 2.212 10 0 BEAEMN C[C@H]1NCCC[C@]1(F)c1ccns1 ZINC000307606924 352668266 /nfs/dbraw/zinc/66/82/66/352668266.db2.gz BUCNUQHUYCGTSE-VXNVDRBHSA-N 0 1 200.282 2.080 10 0 BEAEMN CC(C)(C)OC(=O)c1cccc2c1CNC2 ZINC000253188656 538105276 /nfs/dbraw/zinc/10/52/76/538105276.db2.gz XFSLQFZZKKHFJF-UHFFFAOYSA-N 0 1 219.284 2.245 10 0 BEAEMN CC(C)CNc1c(N)cncc1Br ZINC000232599797 353140866 /nfs/dbraw/zinc/14/08/66/353140866.db2.gz CSPAIZVJQPJNRN-UHFFFAOYSA-N 0 1 244.136 2.494 10 0 BEAEMN O=C([O-])C1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095077887 188145054 /nfs/dbraw/zinc/14/50/54/188145054.db2.gz BTCMBBGQMGJVNK-UHFFFAOYSA-N 0 1 245.322 2.373 10 0 BEAEMN COc1ccc([C@H](N)c2cscn2)cc1F ZINC000062355216 188128893 /nfs/dbraw/zinc/12/88/93/188128893.db2.gz ISDPACXJJACRAL-NSHDSACASA-N 0 1 238.287 2.339 10 0 BEAEMN C[C@H]1NCCc2c(F)cc(F)c(F)c21 ZINC000075688330 188133000 /nfs/dbraw/zinc/13/30/00/188133000.db2.gz MEQRCKVBMICONK-RXMQYKEDSA-N 0 1 201.191 2.311 10 0 BEAEMN CCCC(=O)C1=C(O)C(C)(C)OC1(C)C ZINC000122141945 538110696 /nfs/dbraw/zinc/11/06/96/538110696.db2.gz GEVIEQUUBAWHES-VIFPVBQESA-N 0 1 212.289 2.128 10 0 BEAEMN CC(C)[N@H+]1CCNC[C@@H]1c1cccs1 ZINC000077304295 188222140 /nfs/dbraw/zinc/22/21/40/188222140.db2.gz GDVXSKWGSCBVHS-SNVBAGLBSA-N 0 1 210.346 2.103 10 0 BEAEMN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1nccs1 ZINC000226234193 538115382 /nfs/dbraw/zinc/11/53/82/538115382.db2.gz OTYYICYJAYNCFP-LPEHRKFASA-N 0 1 226.345 2.097 10 0 BEAEMN C[C@@H]1CN(C[C@H]2CCCC2(F)F)CCO1 ZINC000336192431 134124122 /nfs/dbraw/zinc/12/41/22/134124122.db2.gz PLDQBSRMIPNWJH-NXEZZACHSA-N 0 1 219.275 2.143 10 0 BEAEMN Cc1cc([C@@H](N)c2ccccn2)cs1 ZINC000083450957 538499747 /nfs/dbraw/zinc/49/97/47/538499747.db2.gz QIENKIYLPZKICD-LLVKDONJSA-N 0 1 204.298 2.500 10 0 BEAEMN Cc1cnc([C@H](C)N[C@@H]2CCO[C@@H](C)C2)o1 ZINC000231532241 357609273 /nfs/dbraw/zinc/60/92/73/357609273.db2.gz IPTWHNYSROLRHJ-INTQDDNPSA-N 0 1 224.304 2.201 10 0 BEAEMN CCn1cc([C@H]2CN(C3CCCC3)CCO2)cn1 ZINC000190740301 357730251 /nfs/dbraw/zinc/73/02/51/357730251.db2.gz ZWZHSPBGXYFXCS-CQSZACIVSA-N 0 1 249.358 2.219 10 0 BEAEMN CCOc1c(O)ccc(C=O)c1Br ZINC000222225197 358158212 /nfs/dbraw/zinc/15/82/12/358158212.db2.gz ZPDVWECNVHMYRT-UHFFFAOYSA-N 0 1 245.072 2.366 10 0 BEAEMN CCOC(=O)C(=C(O)CC)c1ccc(F)cc1 ZINC000584595358 358252758 /nfs/dbraw/zinc/25/27/58/358252758.db2.gz RJVOHHAVHKWBML-GFCCVEGCSA-N 0 1 238.258 2.452 10 0 BEAEMN Cn1[nH]c(=O)c2cc(F)c(Br)cc21 ZINC000584632804 358316098 /nfs/dbraw/zinc/31/60/98/358316098.db2.gz XRCGMOCBRHSADH-UHFFFAOYSA-N 0 1 245.051 2.181 10 0 BEAEMN Cc1cc(=O)n(-c2nc3ccccc3s2)[nH]1 ZINC000100726154 358428562 /nfs/dbraw/zinc/42/85/62/358428562.db2.gz RFCDWGJVSOXPQD-UHFFFAOYSA-N 0 1 231.280 2.084 10 0 BEAEMN C[C@@H]1CCC[N@@H+](C2CCCC2)[C@H]1C(=O)[O-] ZINC000300227889 358570292 /nfs/dbraw/zinc/57/02/92/358570292.db2.gz HLCSYCPBHPNBHN-MWLCHTKSSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)[C@@H]1CCSC(NCC(F)F)=N1 ZINC000231099314 358741920 /nfs/dbraw/zinc/74/19/20/358741920.db2.gz HMGSHGXVONFVQD-ZETCQYMHSA-N 0 1 222.304 2.359 10 0 BEAEMN CC[C@H]1CCCCC[N@H+]1Cc1nccc(N)n1 ZINC000135094631 358820483 /nfs/dbraw/zinc/82/04/83/358820483.db2.gz UTDKWAYZYCYNLD-NSHDSACASA-N 0 1 234.347 2.213 10 0 BEAEMN CC[C@@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134247641 358784922 /nfs/dbraw/zinc/78/49/22/358784922.db2.gz SIZUSJXBQALHPY-NXEZZACHSA-N 0 1 235.331 2.087 10 0 BEAEMN C[C@H]1OCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000134254034 358784974 /nfs/dbraw/zinc/78/49/74/358784974.db2.gz VFUDTDXCOJQDPB-BXUZGUMPSA-N 0 1 249.358 2.265 10 0 BEAEMN COC1([C@H](N)c2cc(C)ns2)CCC1 ZINC000306156956 358947944 /nfs/dbraw/zinc/94/79/44/358947944.db2.gz CVEWIJOQGIBTAY-SECBINFHSA-N 0 1 212.318 2.020 10 0 BEAEMN COCCOCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000246989686 359181405 /nfs/dbraw/zinc/18/14/05/359181405.db2.gz KEKHMIKTZIJABD-UKRRQHHQSA-N 0 1 249.354 2.342 10 0 BEAEMN CCC[C@H]1C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000075374038 359143620 /nfs/dbraw/zinc/14/36/20/359143620.db2.gz ZTLPWZPJOOIIFZ-JOYOIKCWSA-N 0 1 243.310 2.481 10 0 BEAEMN C[C@H](O)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000306393907 359760776 /nfs/dbraw/zinc/76/07/76/359760776.db2.gz FFZFPEPKFFERGY-BYPYZUCNSA-N 0 1 214.627 2.409 10 0 BEAEMN N[C@@H](c1ccc[nH]1)c1cncc(Cl)c1 ZINC000306490656 360206401 /nfs/dbraw/zinc/20/64/01/360206401.db2.gz ZDXWGJSZURBHSD-SNVBAGLBSA-N 0 1 207.664 2.111 10 0 BEAEMN C[C@H]1CN(Cc2ccnc(Cl)n2)C[C@@H]1C ZINC000306518787 360345430 /nfs/dbraw/zinc/34/54/30/360345430.db2.gz HNARMNRUJFLIMS-IUCAKERBSA-N 0 1 225.723 2.218 10 0 BEAEMN CCn1cnc([C@H](N)c2cccs2)c1 ZINC000306551131 360424580 /nfs/dbraw/zinc/42/45/80/360424580.db2.gz ZTGKLXOBVDQOFS-JTQLQIEISA-N 0 1 207.302 2.013 10 0 BEAEMN N[C@@H](c1cccs1)c1cccnc1F ZINC000306594429 360513023 /nfs/dbraw/zinc/51/30/23/360513023.db2.gz XJOBEHIINHDRLW-SECBINFHSA-N 0 1 208.261 2.330 10 0 BEAEMN C[C@@H]1CC[C@@](F)(c2ccns2)CN1 ZINC000306597767 360519427 /nfs/dbraw/zinc/51/94/27/360519427.db2.gz ZVDIBQYJFKGFTN-APPZFPTMSA-N 0 1 200.282 2.080 10 0 BEAEMN Cc1ccsc1-c1nc([C@H](C)N)no1 ZINC000041052320 361207822 /nfs/dbraw/zinc/20/78/22/361207822.db2.gz KVSYALQIVZXAMU-LURJTMIESA-N 0 1 209.274 2.126 10 0 BEAEMN CC(C)(C)[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000306626349 361293230 /nfs/dbraw/zinc/29/32/30/361293230.db2.gz HQAUEYOPDQQDOZ-SECBINFHSA-N 0 1 213.321 2.218 10 0 BEAEMN C[C@H](CC(=O)[O-])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810278 361514539 /nfs/dbraw/zinc/51/45/39/361514539.db2.gz OQVWISGFGXGBBL-GRYCIOLGSA-N 0 1 225.332 2.362 10 0 BEAEMN C[C@@H]1[C@H](CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000139095508 361567508 /nfs/dbraw/zinc/56/75/08/361567508.db2.gz JVJBNQGSJULIFC-YPMHNXCESA-N 0 1 233.311 2.372 10 0 BEAEMN N=C1N[C@H](c2ccco2)Cc2ccsc21 ZINC000025978701 181339494 /nfs/dbraw/zinc/33/94/94/181339494.db2.gz WAOKDGZAIYAHLD-QMMMGPOBSA-N 0 1 218.281 2.344 10 0 BEAEMN Clc1ccc(CNCc2cn[nH]c2)cc1 ZINC000038005590 361635257 /nfs/dbraw/zinc/63/52/57/361635257.db2.gz FABFXSPMPHOXOD-UHFFFAOYSA-N 0 1 221.691 2.353 10 0 BEAEMN CC[N@@H+]([C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000037080211 361651232 /nfs/dbraw/zinc/65/12/32/361651232.db2.gz AXFCHHYYQFKZQR-GFCCVEGCSA-N 0 1 219.284 2.297 10 0 BEAEMN CC1(C)CCN(Cc2ccc(C=O)o2)C1 ZINC000161291384 363984501 /nfs/dbraw/zinc/98/45/01/363984501.db2.gz OVJYFSUVOBDCMM-UHFFFAOYSA-N 0 1 207.273 2.324 10 0 BEAEMN CCc1nnc(CN2CCC[C@@H]3CCC[C@@H]32)n1C ZINC000173806530 365446378 /nfs/dbraw/zinc/44/63/78/365446378.db2.gz OSXGTXUDHQCHRN-RYUDHWBXSA-N 0 1 248.374 2.142 10 0 BEAEMN CCn1c(C)nnc1CN1C[C@H](C)C[C@H](C)C1 ZINC000195008937 367332411 /nfs/dbraw/zinc/33/24/11/367332411.db2.gz SWDKACFNDKUPDY-PHIMTYICSA-N 0 1 236.363 2.084 10 0 BEAEMN CCn1c(C)nnc1CN1CCC[C@@H](C)CC1 ZINC000195117006 367339672 /nfs/dbraw/zinc/33/96/72/367339672.db2.gz YKGHXTDLALTKGJ-LLVKDONJSA-N 0 1 236.363 2.228 10 0 BEAEMN Cc1noc([C@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185578 367495344 /nfs/dbraw/zinc/49/53/44/367495344.db2.gz BPLVOZODKDPKHV-CPOMMVLXSA-N 0 1 221.304 2.217 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252806395 368159255 /nfs/dbraw/zinc/15/92/55/368159255.db2.gz HCRYOTRSVIMTMT-ZYHUDNBSSA-N 0 1 213.321 2.360 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCCC[C@]1(C)C(=O)[O-] ZINC000252806394 368159391 /nfs/dbraw/zinc/15/93/91/368159391.db2.gz HCRYOTRSVIMTMT-CMPLNLGQSA-N 0 1 213.321 2.360 10 0 BEAEMN Cc1noc(/C=C2\CN3CCC2CC3)c1C ZINC000038145679 368325343 /nfs/dbraw/zinc/32/53/43/368325343.db2.gz AUMOEFBGJSMWBX-KPKJPENVSA-N 0 1 218.300 2.400 10 0 BEAEMN Cc1cc(C[N@H+]2CCC[C@H]2CCCO)ccn1 ZINC000621254257 370186263 /nfs/dbraw/zinc/18/62/63/370186263.db2.gz NOWKIRXMNPNAGT-AWEZNQCLSA-N 0 1 234.343 2.127 10 0 BEAEMN C[C@@H]1CCC[C@](N)(C(=O)c2ccco2)C1 ZINC000226467905 371671651 /nfs/dbraw/zinc/67/16/51/371671651.db2.gz YMVMJVGFOHEHMT-BXKDBHETSA-N 0 1 207.273 2.370 10 0 BEAEMN C[C@H](C(=O)[O-])[N@@H+](C)[C@@H]1CCC[C@@H](C)CC1 ZINC000226508434 371681610 /nfs/dbraw/zinc/68/16/10/371681610.db2.gz ZYNBQPYYELAAAI-GMTAPVOTSA-N 0 1 213.321 2.360 10 0 BEAEMN Cc1ccc(Br)c2c1OCCNC2 ZINC000228395623 372024009 /nfs/dbraw/zinc/02/40/09/372024009.db2.gz OKYXHLCEJRVIOP-UHFFFAOYSA-N 0 1 242.116 2.240 10 0 BEAEMN C[C@@H]1CCSC(NCc2nccs2)=N1 ZINC000133557402 372073006 /nfs/dbraw/zinc/07/30/06/372073006.db2.gz BYJBAAOBRSZPDE-SSDOTTSWSA-N 0 1 227.358 2.114 10 0 BEAEMN CCOC(=O)C[C@@H](N)c1cc(F)c(F)cc1F ZINC000228763336 372079353 /nfs/dbraw/zinc/07/93/53/372079353.db2.gz HYQOSLCTPVTJNR-SNVBAGLBSA-N 0 1 247.216 2.057 10 0 BEAEMN O=C(Cc1cnc[nH]1)Nc1ccc(Cl)cc1 ZINC000103586710 182025642 /nfs/dbraw/zinc/02/56/42/182025642.db2.gz UYXLTZLEPQPADG-JTQLQIEISA-N 0 1 235.674 2.150 10 0 BEAEMN CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000069271541 373185125 /nfs/dbraw/zinc/18/51/25/373185125.db2.gz NAPCCAHFOLFWRQ-KBPBESRZSA-N 0 1 247.338 2.475 10 0 BEAEMN C[N@@H+](/C=C\C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000381918997 374168378 /nfs/dbraw/zinc/16/83/78/374168378.db2.gz JYSOTIXEFCNVEC-HERLMWBLSA-N 0 1 209.289 2.095 10 0 BEAEMN C[C@@H](NC1=NC[C@@H](C)S1)c1nccs1 ZINC000070734420 374186148 /nfs/dbraw/zinc/18/61/48/374186148.db2.gz OXJNNLINXRDDJW-RNFRBKRXSA-N 0 1 227.358 2.285 10 0 BEAEMN O=C([O-])C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000042163199 182478653 /nfs/dbraw/zinc/47/86/53/182478653.db2.gz CPNNKMDMUJGDLG-NSHDSACASA-N 0 1 211.305 2.258 10 0 BEAEMN OC1(C2CC2)CN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000335468338 183016078 /nfs/dbraw/zinc/01/60/78/183016078.db2.gz MZCIDOOJHQUINZ-SNVBAGLBSA-N 0 1 245.313 2.269 10 0 BEAEMN OC[C@@H](NC1CC1)c1ccccc1Cl ZINC000038124295 183107298 /nfs/dbraw/zinc/10/72/98/183107298.db2.gz JPMSTSOJKOVCNH-LLVKDONJSA-N 0 1 211.692 2.125 10 0 BEAEMN CCCCc1nc(C(=O)OC)c(Cl)[nH]1 ZINC000044199765 169026015 /nfs/dbraw/zinc/02/60/15/169026015.db2.gz FVTWQMSKNDMYNK-UHFFFAOYSA-N 0 1 216.668 2.192 10 0 BEAEMN OC[C@H]1Cc2ccc(Cl)c(Cl)c2CN1 ZINC000027526370 183156632 /nfs/dbraw/zinc/15/66/32/183156632.db2.gz BYNFMAOUMAKLOM-SSDOTTSWSA-N 0 1 232.110 2.000 10 0 BEAEMN CCCN(C(=O)[C@H](N)Cc1ccccc1)C(C)C ZINC000037096243 169045098 /nfs/dbraw/zinc/04/50/98/169045098.db2.gz IQJBROUSEARSIG-CQSZACIVSA-N 0 1 248.370 2.203 10 0 BEAEMN CCCN(C(=O)[C@H](N)c1ccccc1)C1CC1 ZINC000037097401 169045589 /nfs/dbraw/zinc/04/55/89/169045589.db2.gz AIWCRLNUJRVRJI-CYBMUJFWSA-N 0 1 232.327 2.087 10 0 BEAEMN O[C@@]1(c2ccc(F)cc2F)CCN(C2CC2)C1 ZINC000061987879 183218078 /nfs/dbraw/zinc/21/80/78/183218078.db2.gz ZVOYGMTYRKQWJT-ZDUSSCGKSA-N 0 1 239.265 2.021 10 0 BEAEMN Oc1ccc(-c2ccc(F)cc2O)nc1 ZINC000065355711 183264357 /nfs/dbraw/zinc/26/43/57/183264357.db2.gz VIMMQJCHTOXGLV-UHFFFAOYSA-N 0 1 205.188 2.299 10 0 BEAEMN Oc1ccc2c(c1)CCN[C@H]2c1ccccn1 ZINC000003703150 183279724 /nfs/dbraw/zinc/27/97/24/183279724.db2.gz WHQICCPCPKXDJU-CQSZACIVSA-N 0 1 226.279 2.022 10 0 BEAEMN CCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246575286 169209814 /nfs/dbraw/zinc/20/98/14/169209814.db2.gz FTDAVDPQUTWOAC-GWCFXTLKSA-N 0 1 241.281 2.483 10 0 BEAEMN c1cc(N[C@@H]2CCCSC2)cc2[nH]nnc12 ZINC000134822884 183365452 /nfs/dbraw/zinc/36/54/52/183365452.db2.gz SASYWLVGIYPVPN-SECBINFHSA-N 0 1 234.328 2.265 10 0 BEAEMN c1cc(N[C@@H]2CCCSC2)cc2n[nH]nc12 ZINC000134822884 183365454 /nfs/dbraw/zinc/36/54/54/183365454.db2.gz SASYWLVGIYPVPN-SECBINFHSA-N 0 1 234.328 2.265 10 0 BEAEMN CCCN[C@@H](C)c1nnc(-c2ccncc2)o1 ZINC000050619445 169276953 /nfs/dbraw/zinc/27/69/53/169276953.db2.gz SUJXUIYEJQKLFB-VIFPVBQESA-N 0 1 232.287 2.192 10 0 BEAEMN CCCSCc1nc(COC)c(CN)s1 ZINC000082445887 169340852 /nfs/dbraw/zinc/34/08/52/169340852.db2.gz MMRXBIXHKZHYOU-UHFFFAOYSA-N 0 1 246.401 2.391 10 0 BEAEMN CCC[C@@H](C(=O)Nc1ccccc1O)N(C)C ZINC000159324544 169346569 /nfs/dbraw/zinc/34/65/69/169346569.db2.gz ZBZWBGQTSACYOX-NSHDSACASA-N 0 1 236.315 2.061 10 0 BEAEMN CCC[C@@H](N)c1nc(C)c(C(C)=O)s1 ZINC000083347076 169393488 /nfs/dbraw/zinc/39/34/88/169393488.db2.gz YWVBNUVBFLMDMB-MRVPVSSYSA-N 0 1 212.318 2.454 10 0 BEAEMN CCC[C@@H](N)c1noc(-c2ccco2)n1 ZINC000041052552 169394762 /nfs/dbraw/zinc/39/47/62/169394762.db2.gz LIJKZMDPXPVUKJ-SSDOTTSWSA-N 0 1 207.233 2.130 10 0 BEAEMN Cn1nccc1CN[C@@H]1CCc2c1cccc2F ZINC000112346596 383919439 /nfs/dbraw/zinc/91/94/39/383919439.db2.gz RVJTURSVCVAZEM-CQSZACIVSA-N 0 1 245.301 2.336 10 0 BEAEMN CCCCCC(=O)Nc1cncc2nc[nH]c21 ZINC000089203359 383947702 /nfs/dbraw/zinc/94/77/02/383947702.db2.gz JKLGZOLMIUHHDX-UHFFFAOYSA-N 0 1 232.287 2.477 10 0 BEAEMN Cc1[nH]ncc1CNC(=O)OCc1ccccc1 ZINC000038011351 384053838 /nfs/dbraw/zinc/05/38/38/384053838.db2.gz FFSKSIRAXGGIGW-UHFFFAOYSA-N 0 1 245.282 2.145 10 0 BEAEMN Cc1n[nH]c2c1[C@@H](O)C[C@@H](c1ccccc1O)C2 ZINC000072415256 384098052 /nfs/dbraw/zinc/09/80/52/384098052.db2.gz SNRANHLTJDUOAN-ZANVPECISA-N 0 1 244.294 2.187 10 0 BEAEMN COC[C@@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826802 384148754 /nfs/dbraw/zinc/14/87/54/384148754.db2.gz MGAFVMDDYJBAAY-MRVPVSSYSA-N 0 1 247.298 2.092 10 0 BEAEMN CCCCOc1ccc(Cl)c(C(=N)N)n1 ZINC000071186735 384154299 /nfs/dbraw/zinc/15/42/99/384154299.db2.gz TVXKEFCSARETSN-UHFFFAOYSA-N 0 1 227.695 2.198 10 0 BEAEMN COCc1ccc(CN2[C@H](C)COC[C@@H]2C)cc1 ZINC000093606931 384250684 /nfs/dbraw/zinc/25/06/84/384250684.db2.gz ZQWUKMQESBZDNS-BETUJISGSA-N 0 1 249.354 2.442 10 0 BEAEMN COC(=O)[C@H]1C[C@H](c2ccccc2)CCC1=O ZINC000093954913 384282503 /nfs/dbraw/zinc/28/25/03/384282503.db2.gz QISHTJPQSJDTSQ-NEPJUHHUSA-N 0 1 232.279 2.312 10 0 BEAEMN Cc1nc(C(F)(F)F)c(Cl)c(=O)[nH]1 ZINC000075891211 384344599 /nfs/dbraw/zinc/34/45/99/384344599.db2.gz KSEADAIRTMVYRP-UHFFFAOYSA-N 0 1 212.558 2.163 10 0 BEAEMN CC(C)[N@H+]1CCC2(C1)CCC(C(=O)[O-])CC2 ZINC000095088223 384360735 /nfs/dbraw/zinc/36/07/35/384360735.db2.gz WQVNAIGTNUJGSB-UHFFFAOYSA-N 0 1 225.332 2.362 10 0 BEAEMN CC(=O)c1cc(C=O)cc(OC(F)F)c1O ZINC000575661874 384421091 /nfs/dbraw/zinc/42/10/91/384421091.db2.gz STTUPWTVWWELBD-UHFFFAOYSA-N 0 1 230.166 2.009 10 0 BEAEMN CC(C)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000017057041 384479730 /nfs/dbraw/zinc/47/97/30/384479730.db2.gz ZNVPVMDQEBBDQD-VIFPVBQESA-N 0 1 231.299 2.337 10 0 BEAEMN FC(F)(F)c1cnc(-c2cccnc2)[nH]1 ZINC000019616234 384527886 /nfs/dbraw/zinc/52/78/86/384527886.db2.gz BSIXIBWASJDSKW-UHFFFAOYSA-N 0 1 213.162 2.491 10 0 BEAEMN C[C@@H]1C[C@@H](O)CN(Cc2cc(F)cc(F)c2)C1 ZINC000334746169 384559320 /nfs/dbraw/zinc/55/93/20/384559320.db2.gz OKKWYMSYFJSQIK-NOZJJQNGSA-N 0 1 241.281 2.168 10 0 BEAEMN Cc1csc(C2(N[C@@H]3CCOC3)CCC2)n1 ZINC000272002738 384659676 /nfs/dbraw/zinc/65/96/76/384659676.db2.gz UJUNBAWUHAHUHN-SNVBAGLBSA-N 0 1 238.356 2.209 10 0 BEAEMN Cc1nc(CN[C@@H](C)c2ccc(C)c(F)c2)n[nH]1 ZINC000358040601 384693896 /nfs/dbraw/zinc/69/38/96/384693896.db2.gz RYTIHSRYBROADI-VIFPVBQESA-N 0 1 248.305 2.411 10 0 BEAEMN NCc1nccn1Cc1ccc(Cl)s1 ZINC000051004177 384705969 /nfs/dbraw/zinc/70/59/69/384705969.db2.gz YFMHHEQSKQTIDQ-UHFFFAOYSA-N 0 1 227.720 2.105 10 0 BEAEMN Cc1nccc(N2C[C@H](C)C[C@@H](O)C2)c1Cl ZINC000334812694 384732831 /nfs/dbraw/zinc/73/28/31/384732831.db2.gz MKRNTUBQLMOHIL-PSASIEDQSA-N 0 1 240.734 2.251 10 0 BEAEMN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106423748 384916858 /nfs/dbraw/zinc/91/68/58/384916858.db2.gz BCUFSALWAZWLHP-OCCSQVGLSA-N 0 1 248.370 2.074 10 0 BEAEMN CC[C@@H](C(N)=O)N(C)Cc1ccc(Cl)cc1 ZINC000061679411 385129689 /nfs/dbraw/zinc/12/96/89/385129689.db2.gz XSIWPLIDAWQTEF-NSHDSACASA-N 0 1 240.734 2.036 10 0 BEAEMN CC(C)[N@@H+](C)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062750816 385232078 /nfs/dbraw/zinc/23/20/78/385232078.db2.gz XNYDSZGEYMVJQM-QWRGUYRKSA-N 0 1 213.321 2.360 10 0 BEAEMN C[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062751204 385257282 /nfs/dbraw/zinc/25/72/82/385257282.db2.gz ZWBDSPFRBFJPPP-WDEREUQCSA-N 0 1 211.305 2.114 10 0 BEAEMN CC(C)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000172096148 385548945 /nfs/dbraw/zinc/54/89/45/385548945.db2.gz WCKVOTDOZPIHTQ-AWEZNQCLSA-N 0 1 248.370 2.026 10 0 BEAEMN CC[C@H](C)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000408197702 385608439 /nfs/dbraw/zinc/60/84/39/385608439.db2.gz JLZYPWPULJMKOW-UWVGGRQHSA-N 0 1 238.335 2.083 10 0 BEAEMN FC(F)(F)c1cnc(NCc2ccco2)[nH]1 ZINC000336699796 385758830 /nfs/dbraw/zinc/75/88/30/385758830.db2.gz NASFFWKZUWRELZ-UHFFFAOYSA-N 0 1 231.177 2.056 10 0 BEAEMN CCOC(=O)CCc1n[nH]c2ccc(C)cc21 ZINC000261199942 386012691 /nfs/dbraw/zinc/01/26/91/386012691.db2.gz XNIKVZYXFNQUOI-UHFFFAOYSA-N 0 1 232.283 2.367 10 0 BEAEMN CC(C)N1C[C@@H](c2nnc[nH]2)Nc2ccccc21 ZINC000616681609 386264071 /nfs/dbraw/zinc/26/40/71/386264071.db2.gz RDYLPQNWEJMGPF-NSHDSACASA-N 0 1 243.314 2.186 10 0 BEAEMN C[C@H]1CC[C@H](O)CN1Cc1nc2ccccc2o1 ZINC000399196927 386447591 /nfs/dbraw/zinc/44/75/91/386447591.db2.gz DMKAZUKLAINNEG-QWRGUYRKSA-N 0 1 246.310 2.173 10 0 BEAEMN Cn1cccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245514588 386595377 /nfs/dbraw/zinc/59/53/77/386595377.db2.gz GFFHVKIIEUQWBM-ZIAGYGMSSA-N 0 1 234.343 2.169 10 0 BEAEMN CC(C)c1csc(C2(N)CSC2)n1 ZINC000307357015 386730540 /nfs/dbraw/zinc/73/05/40/386730540.db2.gz CFICQHRAOAFJEG-UHFFFAOYSA-N 0 1 214.359 2.167 10 0 BEAEMN C[C@H]1COC[C@H](C)N1CC1CC(F)(F)C1 ZINC000334792139 386857763 /nfs/dbraw/zinc/85/77/63/386857763.db2.gz QJSFWKJCRXRTHO-IUCAKERBSA-N 0 1 219.275 2.141 10 0 BEAEMN C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H](O)C(F)(F)F ZINC000335747224 386869980 /nfs/dbraw/zinc/86/99/80/386869980.db2.gz HQZASUICNCXOKG-BDAKNGLRSA-N 0 1 237.265 2.174 10 0 BEAEMN COC(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114563961 386879877 /nfs/dbraw/zinc/87/98/77/386879877.db2.gz BYAAEJILIVNOSE-OCCSQVGLSA-N 0 1 237.343 2.370 10 0 BEAEMN O=C1CCCN1CCN1CCC[C@H]1c1ccco1 ZINC000116297877 386933432 /nfs/dbraw/zinc/93/34/32/386933432.db2.gz UJFMWKVSRQBDSM-LBPRGKRZSA-N 0 1 248.326 2.039 10 0 BEAEMN CC(=O)c1cc(C=O)c(O)c(OC(F)F)c1 ZINC000575661017 387051022 /nfs/dbraw/zinc/05/10/22/387051022.db2.gz DURPLKIKFBNHLF-UHFFFAOYSA-N 0 1 230.166 2.009 10 0 BEAEMN c1cc(CNCc2ccc3c(c2)OCCO3)co1 ZINC000057998183 387154013 /nfs/dbraw/zinc/15/40/13/387154013.db2.gz KIWKJLMGWUPIKP-UHFFFAOYSA-N 0 1 245.278 2.341 10 0 BEAEMN CCC[C@@H](C(=O)Nc1nc(C)cs1)N(C)C ZINC000161658825 387252606 /nfs/dbraw/zinc/25/26/06/387252606.db2.gz TUFWBJOACVDRRW-VIFPVBQESA-N 0 1 241.360 2.120 10 0 BEAEMN CC1=NC(=S)N(CC2SCCS2)C1 ZINC000575592752 387219037 /nfs/dbraw/zinc/21/90/37/387219037.db2.gz KEOXDTRKBXIUEX-UHFFFAOYSA-N 0 1 232.399 2.286 10 0 BEAEMN CCOc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668923 387429940 /nfs/dbraw/zinc/42/99/40/387429940.db2.gz VYQKUVSMIQQDCG-KBPBESRZSA-N 0 1 249.354 2.431 10 0 BEAEMN Cn1nccc1CN[C@H]1CCOc2ccccc21 ZINC000037074409 387559542 /nfs/dbraw/zinc/55/95/42/387559542.db2.gz VKNBUMJMNVYAPV-ZDUSSCGKSA-N 0 1 243.310 2.034 10 0 BEAEMN C[C@@H]1CC[C@]2(CS1)NCCCS2 ZINC000575534665 387573495 /nfs/dbraw/zinc/57/34/95/387573495.db2.gz LPCCPBLPJSVQSA-BDAKNGLRSA-N 0 1 203.376 2.325 10 0 BEAEMN O=c1[nH]c([C@@H]2CC23CC3)ncc1Br ZINC000575554355 387662746 /nfs/dbraw/zinc/66/27/46/387662746.db2.gz IHIZRAQDJSOZEX-YFKPBYRVSA-N 0 1 241.088 2.212 10 0 BEAEMN C[C@H](NCCCF)c1cn(-c2ccccc2)nn1 ZINC000126978546 387699317 /nfs/dbraw/zinc/69/93/17/387699317.db2.gz QGAZLMLQSLQYRH-NSHDSACASA-N 0 1 248.305 2.278 10 0 BEAEMN CCC[C@@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000194599515 387886424 /nfs/dbraw/zinc/88/64/24/387886424.db2.gz NFKAAHUSIBMMTF-GFCCVEGCSA-N 0 1 238.375 2.119 10 0 BEAEMN COC(=O)c1cccnc1CN1[C@@H](C)CC[C@@H]1C ZINC000459371145 387934719 /nfs/dbraw/zinc/93/47/19/387934719.db2.gz ROOWPVYGBDYKAL-QWRGUYRKSA-N 0 1 248.326 2.241 10 0 BEAEMN C[C@H](CC(=O)N[C@H](C)c1nnc[nH]1)C(C)(C)C ZINC000225059997 387940735 /nfs/dbraw/zinc/94/07/35/387940735.db2.gz HWMPAKKHTQDCKP-RKDXNWHRSA-N 0 1 238.335 2.054 10 0 BEAEMN C[C@H](CC(=O)N[C@@H](C)c1nnc[nH]1)C(C)(C)C ZINC000225059908 387942003 /nfs/dbraw/zinc/94/20/03/387942003.db2.gz HWMPAKKHTQDCKP-BDAKNGLRSA-N 0 1 238.335 2.054 10 0 BEAEMN CCCN(Cc1nnc(C2CC2)n1C)CC1CC1 ZINC000195429618 388163504 /nfs/dbraw/zinc/16/35/04/388163504.db2.gz HNNALEQTFGBMRM-UHFFFAOYSA-N 0 1 248.374 2.315 10 0 BEAEMN CC[C@H]1CC[C@H](C(=O)Nc2nnc(C)[nH]2)CC1 ZINC000249766050 388140988 /nfs/dbraw/zinc/14/09/88/388140988.db2.gz ILTPLWASSRQACN-MGCOHNPYSA-N 0 1 236.319 2.268 10 0 BEAEMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000057354190 388357237 /nfs/dbraw/zinc/35/72/37/388357237.db2.gz GPWBUSYJURGRIM-ZDUSSCGKSA-N 0 1 233.311 2.373 10 0 BEAEMN CC(C)OC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227065397 388740366 /nfs/dbraw/zinc/74/03/66/388740366.db2.gz AYDOQPRCDJTHJR-RYUDHWBXSA-N 0 1 240.347 2.090 10 0 BEAEMN CC(C)OC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000253168808 388806437 /nfs/dbraw/zinc/80/64/37/388806437.db2.gz AYDOQPRCDJTHJR-NEPJUHHUSA-N 0 1 240.347 2.090 10 0 BEAEMN Cc1ccc(N)c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000036250640 132341412 /nfs/dbraw/zinc/34/14/12/132341412.db2.gz ZLCNRMXDXUDTCA-UWVGGRQHSA-N 0 1 219.332 2.455 10 0 BEAEMN C[C@@H](O)c1ccc(N2CCN(C3CC3)CC2)cc1 ZINC000042490697 132352616 /nfs/dbraw/zinc/35/26/16/132352616.db2.gz SNBRFFPZDYMNPM-GFCCVEGCSA-N 0 1 246.354 2.024 10 0 BEAEMN CC(C)c1cc(N)nc(N2CCCCC2)n1 ZINC000044263484 132354119 /nfs/dbraw/zinc/35/41/19/132354119.db2.gz BYQFFRJRSIFXFC-UHFFFAOYSA-N 0 1 220.320 2.173 10 0 BEAEMN CC(C)CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000335990068 134039935 /nfs/dbraw/zinc/03/99/35/134039935.db2.gz FTUCMFIANYBWCW-STQMWFEESA-N 0 1 238.375 2.118 10 0 BEAEMN CC(C)CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000335990066 134039978 /nfs/dbraw/zinc/03/99/78/134039978.db2.gz FTUCMFIANYBWCW-OLZOCXBDSA-N 0 1 238.375 2.118 10 0 BEAEMN CCc1nnc(CN2CCC[C@H]2C2CCC2)n1C ZINC000170872499 134253878 /nfs/dbraw/zinc/25/38/78/134253878.db2.gz UFRPLTAPKDTTSC-LBPRGKRZSA-N 0 1 248.374 2.142 10 0 BEAEMN C1=C[C@H]([N@@H+]2CCN3CCCC[C@H]3C2)CCC1 ZINC000177756709 134299980 /nfs/dbraw/zinc/29/99/80/134299980.db2.gz VOBUJXFOKVJJEZ-KBPBESRZSA-N 0 1 220.360 2.265 10 0 BEAEMN c1csc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179733222 134320753 /nfs/dbraw/zinc/32/07/53/134320753.db2.gz RZLUBDLHDGUXJL-UHFFFAOYSA-N 0 1 236.384 2.418 10 0 BEAEMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000185589674 134381988 /nfs/dbraw/zinc/38/19/88/134381988.db2.gz QSLUOQLRIRVVCQ-PWSUYJOCSA-N 0 1 248.374 2.313 10 0 BEAEMN CC[C@H]1[C@H](C)CCN1Cc1nnc(C2CC2)n1C ZINC000185589674 134381989 /nfs/dbraw/zinc/38/19/89/134381989.db2.gz QSLUOQLRIRVVCQ-PWSUYJOCSA-N 0 1 248.374 2.313 10 0 BEAEMN OCC[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000227566391 134383094 /nfs/dbraw/zinc/38/30/94/134383094.db2.gz VMGXAHHCWBIBRJ-JTQLQIEISA-N 0 1 241.281 2.169 10 0 BEAEMN C[C@@H]1COC[C@H](C)N1C[C@H]1CCC(C)(C)O1 ZINC000248564041 135005506 /nfs/dbraw/zinc/00/55/06/135005506.db2.gz HRIPHRHZZHSHTA-GRYCIOLGSA-N 0 1 227.348 2.053 10 0 BEAEMN CCC[C@@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000249889313 135047548 /nfs/dbraw/zinc/04/75/48/135047548.db2.gz QDTGXEBUSUEDHD-OLZOCXBDSA-N 0 1 238.375 2.119 10 0 BEAEMN c1cc(C2CC2)ccc1CNC1COC1 ZINC000087194645 135111282 /nfs/dbraw/zinc/11/12/82/135111282.db2.gz RUBUMNLVGFMFDP-UHFFFAOYSA-N 0 1 203.285 2.052 10 0 BEAEMN c1csc([C@H](NC2COC2)C2CC2)c1 ZINC000087194965 135112455 /nfs/dbraw/zinc/11/24/55/135112455.db2.gz SLFGZFPCBYYPGD-LLVKDONJSA-N 0 1 209.314 2.188 10 0 BEAEMN C[C@@H](N)c1nc(-c2cscn2)cs1 ZINC000084392196 135244915 /nfs/dbraw/zinc/24/49/15/135244915.db2.gz MQWGLROVRRZPRN-RXMQYKEDSA-N 0 1 211.315 2.286 10 0 BEAEMN CCC(CC)(CC)C[N@@H+](C)CC(=O)[O-] ZINC000263350132 135348008 /nfs/dbraw/zinc/34/80/08/135348008.db2.gz PEGXHSUIASTJFA-UHFFFAOYSA-N 0 1 201.310 2.219 10 0 BEAEMN Cc1ccc2c(c1)[C@@H]([N@@H+](C)CC(=O)[O-])[C@@H](C)C2 ZINC000263447639 135355245 /nfs/dbraw/zinc/35/52/45/135355245.db2.gz YHKRCDSLRSQZIQ-HZMBPMFUSA-N 0 1 233.311 2.245 10 0 BEAEMN Cc1c([C@H](C)NCc2ccoc2)cnn1C ZINC000062103631 1172740279 /nfs/dbraw/zinc/74/02/79/1172740279.db2.gz NJIPTTXRGCFNLR-VIFPVBQESA-N 0 1 219.288 2.172 10 0 BEAEMN C[C@@H]1C[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000052293374 397742400 /nfs/dbraw/zinc/74/24/00/397742400.db2.gz RIXJJWBAZDFADU-HZGVNTEJSA-N 0 1 225.675 2.184 10 0 BEAEMN COC(=O)Cc1ccc(O)c(Cl)c1Cl ZINC000307118410 397980302 /nfs/dbraw/zinc/98/03/02/397980302.db2.gz WPSNNIXEULMXRK-UHFFFAOYSA-N 0 1 235.066 2.415 10 0 BEAEMN CC(C)COC(=O)C1(N)CCC(C)CC1 ZINC000048634802 167019772 /nfs/dbraw/zinc/01/97/72/167019772.db2.gz NQUIXSWOEFTPMO-UHFFFAOYSA-N 0 1 213.321 2.093 10 0 BEAEMN C[C@@H]1CCC[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000225423916 487572896 /nfs/dbraw/zinc/57/28/96/487572896.db2.gz ZHDNNRNPCWHUFQ-BBBLOLIVSA-N 0 1 221.304 2.398 10 0 BEAEMN Brc1ccccc1-c1cn[nH]n1 ZINC000034027814 166100882 /nfs/dbraw/zinc/10/08/82/166100882.db2.gz FMNFGAAZKHHVAD-UHFFFAOYSA-N 0 1 224.061 2.234 10 0 BEAEMN Brc1cccc([C@H]2NCCO2)c1 ZINC000049821076 166101607 /nfs/dbraw/zinc/10/16/07/166101607.db2.gz ORHALYCGTSDHKA-VIFPVBQESA-N 0 1 228.089 2.068 10 0 BEAEMN CC(C)NCc1csc(Br)n1 ZINC000095088478 167120504 /nfs/dbraw/zinc/12/05/04/167120504.db2.gz IFWNNCIKIHVIPF-UHFFFAOYSA-N 0 1 235.150 2.404 10 0 BEAEMN CC(C)N[C@]1(c2nccs2)CCSC1 ZINC000041061523 167142750 /nfs/dbraw/zinc/14/27/50/167142750.db2.gz ZIRFQVSRTQJHBE-SNVBAGLBSA-N 0 1 228.386 2.473 10 0 BEAEMN O=c1cc(C2CC2)[nH]n1Cc1cccc(F)c1 ZINC000103963278 410917921 /nfs/dbraw/zinc/91/79/21/410917921.db2.gz SZUQHTUJMUFKEM-UHFFFAOYSA-N 0 1 232.258 2.324 10 0 BEAEMN CC(C)Oc1ccc(-c2ccc(NN)nn2)cc1 ZINC000050194162 167289072 /nfs/dbraw/zinc/28/90/72/167289072.db2.gz XHLVTPSJHNAAPV-UHFFFAOYSA-N 0 1 244.298 2.216 10 0 BEAEMN CC(C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1 ZINC000033468507 167343881 /nfs/dbraw/zinc/34/38/81/167343881.db2.gz QLBVJFPRSUXGBP-LBPRGKRZSA-N 0 1 239.290 2.367 10 0 BEAEMN CCc1nc(CNCC[C@@H]2CCCO2)cs1 ZINC000049591252 411240299 /nfs/dbraw/zinc/24/02/99/411240299.db2.gz BAXSIEFKHHVNEW-NSHDSACASA-N 0 1 240.372 2.364 10 0 BEAEMN CN1Cc2ccc(N[C@@H]3CCCC[C@H]3O)cc2C1 ZINC000656508196 411288679 /nfs/dbraw/zinc/28/86/79/411288679.db2.gz ZBYBBCWQPWITSK-HUUCEWRRSA-N 0 1 246.354 2.347 10 0 BEAEMN CC[N@H+](Cc1ccccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000311056564 411309759 /nfs/dbraw/zinc/30/97/59/411309759.db2.gz YHJSSQKQJUMZFZ-DZGCQCFKSA-N 0 1 248.370 2.455 10 0 BEAEMN CC1CCC(CO)(NCc2cscn2)CC1 ZINC000053114133 168156304 /nfs/dbraw/zinc/15/63/04/168156304.db2.gz SEBTYCMIJPLALN-UHFFFAOYSA-N 0 1 240.372 2.174 10 0 BEAEMN CCC(=O)CCCN1CCO[C@H]2CCCC[C@H]21 ZINC000300121139 168198711 /nfs/dbraw/zinc/19/87/11/168198711.db2.gz TXBLQVFDHPRXOY-KGLIPLIRSA-N 0 1 239.359 2.389 10 0 BEAEMN Cc1ncc(CN[C@H](C)c2cncc(F)c2)n1C ZINC000657430715 411507968 /nfs/dbraw/zinc/50/79/68/411507968.db2.gz BCGAHRVJNCRBRT-SECBINFHSA-N 0 1 248.305 2.113 10 0 BEAEMN CCNCC(=O)c1ccc(Cl)s1 ZINC000049812787 170110590 /nfs/dbraw/zinc/11/05/90/170110590.db2.gz CCLVRCAKJHFOGS-UHFFFAOYSA-N 0 1 203.694 2.194 10 0 BEAEMN CCNCc1cc(COc2ccccc2)on1 ZINC000052668235 170125348 /nfs/dbraw/zinc/12/53/48/170125348.db2.gz GINOXKNGKASYLP-UHFFFAOYSA-N 0 1 232.283 2.363 10 0 BEAEMN CCN[C@H]1c2ccc(OC3CCC3)cc2NC1=O ZINC000103923975 170149590 /nfs/dbraw/zinc/14/95/90/170149590.db2.gz VVNSYRIAANGBLU-ZDUSSCGKSA-N 0 1 246.310 2.221 10 0 BEAEMN CCN[C@H](C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037869639 170155715 /nfs/dbraw/zinc/15/57/15/170155715.db2.gz WPPSOSMKIRZKMA-VIFPVBQESA-N 0 1 247.125 2.129 10 0 BEAEMN CCN[C@@]1(c2nccs2)CCSC1 ZINC000041060919 170156158 /nfs/dbraw/zinc/15/61/58/170156158.db2.gz GYZHOIDNNCPZKE-VIFPVBQESA-N 0 1 214.359 2.085 10 0 BEAEMN CCN[C@H](CC)c1nnc(-c2ccccn2)o1 ZINC000061512191 170161573 /nfs/dbraw/zinc/16/15/73/170161573.db2.gz VFEJYZVOFVWVMV-SECBINFHSA-N 0 1 232.287 2.192 10 0 BEAEMN CCN[C@H](c1ccncc1)c1cncc(F)c1 ZINC000049576302 170165184 /nfs/dbraw/zinc/16/51/84/170165184.db2.gz LNBROMGWRFUMMO-CYBMUJFWSA-N 0 1 231.274 2.315 10 0 BEAEMN CCN[C@@H](c1ccsc1)c1cncnc1 ZINC000052887101 170165187 /nfs/dbraw/zinc/16/51/87/170165187.db2.gz MTCKGBFEYSUDRD-NSHDSACASA-N 0 1 219.313 2.237 10 0 BEAEMN CCN[C@H](c1cccnc1)c1ccccn1 ZINC000037761916 170165225 /nfs/dbraw/zinc/16/52/25/170165225.db2.gz OIQZXYYGLXWXJS-CYBMUJFWSA-N 0 1 213.284 2.176 10 0 BEAEMN CCN[C@H]1c2c(cc(F)cc2F)O[C@H]1C ZINC000054932069 170169569 /nfs/dbraw/zinc/16/95/69/170169569.db2.gz LVHJZZCWWDHWDR-UPONEAKYSA-N 0 1 213.227 2.396 10 0 BEAEMN CCN[C@]1(c2nc(C)cs2)CCSC1 ZINC000041061031 170170576 /nfs/dbraw/zinc/17/05/76/170170576.db2.gz JAALOOZXHDXDIB-SNVBAGLBSA-N 0 1 228.386 2.393 10 0 BEAEMN CCOC(=O)CN(C)C[C@@H]1CCCC(F)(F)C1 ZINC000304183849 170215040 /nfs/dbraw/zinc/21/50/40/170215040.db2.gz NOYVRFVZAGKGIW-SNVBAGLBSA-N 0 1 249.301 2.307 10 0 BEAEMN CC[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000134493629 171004944 /nfs/dbraw/zinc/00/49/44/171004944.db2.gz JAABQZRULFXHOK-GHMZBOCLSA-N 0 1 247.342 2.088 10 0 BEAEMN CC[C@@H]1CSC(NCc2ccco2)=N1 ZINC000035082603 171113755 /nfs/dbraw/zinc/11/37/55/171113755.db2.gz JYOOUTFXMITCMV-MRVPVSSYSA-N 0 1 210.302 2.251 10 0 BEAEMN CC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000062937206 171197363 /nfs/dbraw/zinc/19/73/63/171197363.db2.gz RXGRXEBPTVORMP-CQSZACIVSA-N 0 1 233.311 2.373 10 0 BEAEMN CC[C@H](C)NCc1nc(-c2ccncc2)no1 ZINC000037605520 171343837 /nfs/dbraw/zinc/34/38/37/171343837.db2.gz XYBZTYIKUDXIFF-VIFPVBQESA-N 0 1 232.287 2.020 10 0 BEAEMN CC[C@H](C)[C@@H](N)c1noc(C(C)(C)C)n1 ZINC000041050416 171372642 /nfs/dbraw/zinc/37/26/42/171372642.db2.gz HPGVFPOMQKQMIV-JGVFFNPUSA-N 0 1 211.309 2.413 10 0 BEAEMN CCc1nc([C@@H](N)C2CCCCC2)no1 ZINC000036762711 172002647 /nfs/dbraw/zinc/00/26/47/172002647.db2.gz MYTNFLDWINOMGH-JTQLQIEISA-N 0 1 209.293 2.212 10 0 BEAEMN CCn1cccc1CNCc1ccoc1 ZINC000130641002 172208128 /nfs/dbraw/zinc/20/81/28/172208128.db2.gz GPRKWXURBDNXBY-UHFFFAOYSA-N 0 1 204.273 2.391 10 0 BEAEMN CCn1cccc1CN[C@H](CO)c1ccccc1 ZINC000091127755 172208720 /nfs/dbraw/zinc/20/87/20/172208720.db2.gz SBOZQUGKTZBHKY-OAHLLOKOSA-N 0 1 244.338 2.331 10 0 BEAEMN CCn1cccc1CN[C@H](C)c1cn[nH]c1 ZINC000229638320 172209685 /nfs/dbraw/zinc/20/96/85/172209685.db2.gz HEYNQZGNXMLPLL-SNVBAGLBSA-N 0 1 218.304 2.082 10 0 BEAEMN CCn1ccnc1NCc1ccc(C)o1 ZINC000053039121 172227793 /nfs/dbraw/zinc/22/77/93/172227793.db2.gz YKKBWFLYHAZDCH-UHFFFAOYSA-N 0 1 205.261 2.417 10 0 BEAEMN CCn1ccnc1[C@@H](N)c1ccc(C)cc1 ZINC000011735133 172229293 /nfs/dbraw/zinc/22/92/93/172229293.db2.gz MGAZWTUWPUZISL-LBPRGKRZSA-N 0 1 215.300 2.260 10 0 BEAEMN CN(C(=O)[C@H](N)c1ccccc1)c1ccccc1 ZINC000040457825 172331428 /nfs/dbraw/zinc/33/14/28/172331428.db2.gz HANTVCRKMCNYOL-CQSZACIVSA-N 0 1 240.306 2.349 10 0 BEAEMN CN(C(=O)c1ccc(CN)o1)c1ccccc1 ZINC000011628081 172340330 /nfs/dbraw/zinc/34/03/30/172340330.db2.gz ZRARWMHPUATDFV-UHFFFAOYSA-N 0 1 230.267 2.015 10 0 BEAEMN CN1CC[C@H](Nc2cc(F)c(F)cc2F)C1 ZINC000061989922 173154361 /nfs/dbraw/zinc/15/43/61/173154361.db2.gz DCBPLICWBZZELS-ZETCQYMHSA-N 0 1 230.233 2.220 10 0 BEAEMN C[N@H+]1CC[C@H](c2c[nH]c3cccc(O)c32)C1 ZINC000013801326 173156116 /nfs/dbraw/zinc/15/61/16/173156116.db2.gz DZKMCQNELDTDGP-VIFPVBQESA-N 0 1 216.284 2.293 10 0 BEAEMN CN1CCc2nc([C@@H](N)C(C)(C)C)sc2C1 ZINC000041059681 173173551 /nfs/dbraw/zinc/17/35/51/173173551.db2.gz WNHFODHAXFTTMI-SNVBAGLBSA-N 0 1 239.388 2.177 10 0 BEAEMN CNCc1nnc(-c2cccc(OC(C)C)c2)o1 ZINC000061667175 173397686 /nfs/dbraw/zinc/39/76/86/173397686.db2.gz STNGLJAHOSSVIT-UHFFFAOYSA-N 0 1 247.298 2.243 10 0 BEAEMN CNCc1nnc(-c2nccc3ccccc32)o1 ZINC000050615469 173398134 /nfs/dbraw/zinc/39/81/34/173398134.db2.gz YEIQBPLQSCZBQJ-UHFFFAOYSA-N 0 1 240.266 2.004 10 0 BEAEMN COCCCNc1ccc(N)c2cnccc12 ZINC000035332878 174252532 /nfs/dbraw/zinc/25/25/32/174252532.db2.gz LJVBXWVKNCIMAS-UHFFFAOYSA-N 0 1 231.299 2.265 10 0 BEAEMN COCCNC1(c2nc(C)cs2)CCC1 ZINC000053288459 174330146 /nfs/dbraw/zinc/33/01/46/174330146.db2.gz RGYIAJYICWTFAD-UHFFFAOYSA-N 0 1 226.345 2.067 10 0 BEAEMN COCCN[C@@H](c1nc(C)c(C)s1)C1CC1 ZINC000045205779 174338154 /nfs/dbraw/zinc/33/81/54/174338154.db2.gz GRDLRMHWIIIKLU-LLVKDONJSA-N 0 1 240.372 2.447 10 0 BEAEMN COCCOC[C@H](N)c1cc2ccccc2o1 ZINC000019263960 174363227 /nfs/dbraw/zinc/36/32/27/174363227.db2.gz URAQETVGWKDUHZ-NSHDSACASA-N 0 1 235.283 2.096 10 0 BEAEMN COc1ccc(C)cc1C(=O)[C@@H]1CCCCN1 ZINC000058327590 175074118 /nfs/dbraw/zinc/07/41/18/175074118.db2.gz YDWZUCVRYWDOCK-LBPRGKRZSA-N 0 1 233.311 2.328 10 0 BEAEMN COc1ccc(Cl)c2sc(CN)nc21 ZINC000031894695 175119300 /nfs/dbraw/zinc/11/93/00/175119300.db2.gz DYGGEOIPUIUAPY-UHFFFAOYSA-N 0 1 228.704 2.417 10 0 BEAEMN COc1ccc(N)cc1-c1nnc(CC(C)C)[nH]1 ZINC000072237635 175137945 /nfs/dbraw/zinc/13/79/45/175137945.db2.gz FTUBRCAOPGIQIY-UHFFFAOYSA-N 0 1 246.314 2.261 10 0 BEAEMN COc1ccc([C@@H](N)c2ccoc2)c(F)c1 ZINC000036766499 175180295 /nfs/dbraw/zinc/18/02/95/175180295.db2.gz FZYQIMZGWUKPLU-LBPRGKRZSA-N 0 1 221.231 2.475 10 0 BEAEMN COc1ccc([C@H](C)NCc2cn[nH]c2)cc1F ZINC000038005942 175189849 /nfs/dbraw/zinc/18/98/49/175189849.db2.gz PEYNTIGMELZFMK-VIFPVBQESA-N 0 1 249.289 2.408 10 0 BEAEMN COc1ccc2c(c1)CCN[C@@H]2c1ccccn1 ZINC000003703137 175209036 /nfs/dbraw/zinc/20/90/36/175209036.db2.gz BBZRKCFLHGWGMU-HNNXBMFYSA-N 0 1 240.306 2.325 10 0 BEAEMN COc1cccc(-c2ccc(CN)o2)c1 ZINC000040169508 175234771 /nfs/dbraw/zinc/23/47/71/175234771.db2.gz YFWACUKHOIORSM-UHFFFAOYSA-N 0 1 203.241 2.414 10 0 BEAEMN COc1cccc(NCc2cnc(C)[nH]2)c1 ZINC000054798135 175279271 /nfs/dbraw/zinc/27/92/71/175279271.db2.gz OIRCRKIFYZJJDU-UHFFFAOYSA-N 0 1 217.272 2.339 10 0 BEAEMN COc1cccc(OCc2ccoc2CN)c1 ZINC000052655104 175284225 /nfs/dbraw/zinc/28/42/25/175284225.db2.gz IGYMFLUOHRJGEZ-UHFFFAOYSA-N 0 1 233.267 2.326 10 0 BEAEMN COc1cccc([C@@H](N)c2cccnc2)c1OC ZINC000041656124 175289254 /nfs/dbraw/zinc/28/92/54/175289254.db2.gz JMYADHFEQKSJJS-ZDUSSCGKSA-N 0 1 244.294 2.147 10 0 BEAEMN COc1cccc([C@H](C)NCc2ccnn2C)c1 ZINC000037771537 175293606 /nfs/dbraw/zinc/29/36/06/175293606.db2.gz CQLIHXZQPNNZJJ-NSHDSACASA-N 0 1 245.326 2.280 10 0 BEAEMN C[C@H](c1ccccc1F)[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000062015326 175623651 /nfs/dbraw/zinc/62/36/51/175623651.db2.gz PACQKHREJMBCIQ-BDAKNGLRSA-N 0 1 225.263 2.292 10 0 BEAEMN C[C@@H](OC(=O)C(C)(C)N)c1ccccc1 ZINC000048635949 176001405 /nfs/dbraw/zinc/00/14/05/176001405.db2.gz SQYOXDYWTUSEAM-SECBINFHSA-N 0 1 207.273 2.028 10 0 BEAEMN C[C@@H](OCc1cc(CN)no1)c1ccccc1 ZINC000052624138 176002871 /nfs/dbraw/zinc/00/28/71/176002871.db2.gz MEJSYEZGMFDSQO-SNVBAGLBSA-N 0 1 232.283 2.411 10 0 BEAEMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000042613698 176077961 /nfs/dbraw/zinc/07/79/61/176077961.db2.gz VPBVSRLICHJPHS-ZJUUUORDSA-N 0 1 213.321 2.360 10 0 BEAEMN C[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CCCC1 ZINC000051286385 176109388 /nfs/dbraw/zinc/10/93/88/176109388.db2.gz NBKQERWXKDWXFZ-SNVBAGLBSA-N 0 1 211.305 2.116 10 0 BEAEMN C[C@@H]1CCC[C@](N)(c2noc(C(F)(F)F)n2)C1 ZINC000036764989 176151996 /nfs/dbraw/zinc/15/19/96/176151996.db2.gz FSRANNAZECSADK-HZGVNTEJSA-N 0 1 249.236 2.453 10 0 BEAEMN C[C@@H]1C[C@@H](OC(=O)[C@H](N)C2CC2)CC(C)(C)C1 ZINC000054524051 176382438 /nfs/dbraw/zinc/38/24/38/176382438.db2.gz UVSHOOQTLQGAEA-YUSALJHKSA-N 0 1 239.359 2.482 10 0 BEAEMN C[C@H](NCC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000015482360 176834694 /nfs/dbraw/zinc/83/46/94/176834694.db2.gz KXZWKUCSZKTCNO-LURJTMIESA-N 0 1 247.125 2.129 10 0 BEAEMN Cc1c(O)c(C)c(=S)sc1S ZINC000005375735 177060303 /nfs/dbraw/zinc/06/03/03/177060303.db2.gz CEKOBZATNSNHKD-IMJSIDKUSA-N 0 1 204.341 2.229 10 0 BEAEMN C[C@H]1CCCN1Cc1nc(N)ccc1Cl ZINC000061630524 177111222 /nfs/dbraw/zinc/11/12/22/177111222.db2.gz MSNCXILMPFDGCN-QMMMGPOBSA-N 0 1 225.723 2.302 10 0 BEAEMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccnc1C(=O)[O-] ZINC000062753005 177165033 /nfs/dbraw/zinc/16/50/33/177165033.db2.gz BVQGRZSWLJSRPA-WDEREUQCSA-N 0 1 248.326 2.400 10 0 BEAEMN C[C@@H]1CCC(=O)[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000053925117 177259446 /nfs/dbraw/zinc/25/94/46/177259446.db2.gz OEZTUDVIXGAWGE-FVCCEPFGSA-N 0 1 239.359 2.101 10 0 BEAEMN C[C@H]1COC[C@H](C)N1CC[C@@H](O)c1ccccc1 ZINC000286640523 177300376 /nfs/dbraw/zinc/30/03/76/177300376.db2.gz ZVTIDFMWJBKAJM-KCQAQPDRSA-N 0 1 249.354 2.219 10 0 BEAEMN C[C@]1(C[N@@H+]2CCN3CCC[C@@H]3C2)CCCS1 ZINC000087794128 487688566 /nfs/dbraw/zinc/68/85/66/487688566.db2.gz IBSDPYGDUNCBNZ-CHWSQXEVSA-N 0 1 240.416 2.052 10 0 BEAEMN Cc1cccc(N2N=C3CCC[C@@H]3C2=O)c1 ZINC000104707281 487713060 /nfs/dbraw/zinc/71/30/60/487713060.db2.gz UTNUGKKEQCEOOG-NSHDSACASA-N 0 1 214.268 2.498 10 0 BEAEMN Cc1cccc(-n2[nH]c3c(c2=O)CCC3)c1 ZINC000104707281 487713066 /nfs/dbraw/zinc/71/30/66/487713066.db2.gz UTNUGKKEQCEOOG-NSHDSACASA-N 0 1 214.268 2.498 10 0 BEAEMN O=C([O-])C[N@@H+](C/C=C/c1ccccc1)CC1CC1 ZINC000036885955 487717646 /nfs/dbraw/zinc/71/76/46/487717646.db2.gz JBOUDFHEHQTFRM-QPJJXVBHSA-N 0 1 245.322 2.496 10 0 BEAEMN CC(C)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419296 487741921 /nfs/dbraw/zinc/74/19/21/487741921.db2.gz FNULAZXOGDXQNQ-QWRGUYRKSA-N 0 1 213.321 2.218 10 0 BEAEMN Cc1cc(CC(=O)[C@@H](C)N)ccc1Cl ZINC000757161481 586432142 /nfs/dbraw/zinc/43/21/42/586432142.db2.gz VXWMAZSYFMATFL-MRVPVSSYSA-N 0 1 211.692 2.107 10 0 BEAEMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(C(=O)[O-])co1 ZINC000387040638 487905746 /nfs/dbraw/zinc/90/57/46/487905746.db2.gz USAOQURATJUSOT-RKDXNWHRSA-N 0 1 238.287 2.136 10 0 BEAEMN CC(C)[C@@H](C)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000083412761 487908319 /nfs/dbraw/zinc/90/83/19/487908319.db2.gz FSBMBORUYFEDLA-ZYHUDNBSSA-N 0 1 213.321 2.218 10 0 BEAEMN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000123980507 324606916 /nfs/dbraw/zinc/60/69/16/324606916.db2.gz DHGSUCUQUGDXSC-KCJUWKMLSA-N 0 1 237.274 2.450 10 0 BEAEMN C[C@@H](NCC1(CCO)CCC1)c1cscn1 ZINC000130989860 325105858 /nfs/dbraw/zinc/10/58/58/325105858.db2.gz KZBYQTFUKCTNRT-SNVBAGLBSA-N 0 1 240.372 2.346 10 0 BEAEMN COCC1(CN[C@H](C)c2ncc(C)o2)CCC1 ZINC000310135075 488084990 /nfs/dbraw/zinc/08/49/90/488084990.db2.gz LTDFWDYTQNWSTJ-LLVKDONJSA-N 0 1 238.331 2.450 10 0 BEAEMN O=C([O-])C[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000257791592 488089131 /nfs/dbraw/zinc/08/91/31/488089131.db2.gz RKUXQSBOLFLJID-NSHDSACASA-N 0 1 225.332 2.363 10 0 BEAEMN Cc1cccc(Cn2[nH]c(C3CC3)cc2=O)c1 ZINC000109525112 490163138 /nfs/dbraw/zinc/16/31/38/490163138.db2.gz XZKZCNFQOUOHSP-UHFFFAOYSA-N 0 1 228.295 2.493 10 0 BEAEMN CCO[C@@H]1C[C@H](N(C)Cc2cncnc2)C1(C)C ZINC000129948873 490183742 /nfs/dbraw/zinc/18/37/42/490183742.db2.gz XMKLHAIQMQRHAH-QWHCGFSZSA-N 0 1 249.358 2.112 10 0 BEAEMN CNc1cc(C)nc(N2CCC[C@H](C)C2)n1 ZINC000074934140 490309784 /nfs/dbraw/zinc/30/97/84/490309784.db2.gz GMIYRDDOBGFAMR-VIFPVBQESA-N 0 1 220.320 2.063 10 0 BEAEMN CCCC[C@@H](O)c1nc(CNC)cs1 ZINC000757134918 582513196 /nfs/dbraw/zinc/51/31/96/582513196.db2.gz ZHUGUBPRKUHZGG-SECBINFHSA-N 0 1 214.334 2.086 10 0 BEAEMN CC(C)C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](C)C1 ZINC000226859429 535127437 /nfs/dbraw/zinc/12/74/37/535127437.db2.gz YMFBJRADPJLNIL-QWRGUYRKSA-N 0 1 213.321 2.075 10 0 BEAEMN FC(F)(F)c1cccc([C@@H]2COCCN2)c1 ZINC000076136657 566281235 /nfs/dbraw/zinc/28/12/35/566281235.db2.gz ACXAOKYNNKWHDN-JTQLQIEISA-N 0 1 231.217 2.366 10 0 BEAEMN c1ccc([C@@H]2CCO[C@]3(CCCOC3)N2)cc1 ZINC000757143273 582523593 /nfs/dbraw/zinc/52/35/93/582523593.db2.gz VUORFAGZNIMXQU-KBPBESRZSA-N 0 1 233.311 2.244 10 0 BEAEMN COc1ccc([C@H]2CCO[C@@H](C)N2)cc1 ZINC000757143387 582523657 /nfs/dbraw/zinc/52/36/57/582523657.db2.gz WMRLINFWQQPDEE-JOYOIKCWSA-N 0 1 207.273 2.092 10 0 BEAEMN CCc1ccc([C@H]2NCCc3nc[nH]c32)s1 ZINC000400487397 582579106 /nfs/dbraw/zinc/57/91/06/582579106.db2.gz ZSYDVOCIQPKLNN-GFCCVEGCSA-N 0 1 233.340 2.269 10 0 BEAEMN Cc1cn2c(n1)N[C@@H](c1nccs1)CC2 ZINC000236044910 582637479 /nfs/dbraw/zinc/63/74/79/582637479.db2.gz UXDMYSQAJLZXGP-MRVPVSSYSA-N 0 1 220.301 2.205 10 0 BEAEMN N[C@H](Cc1cccc(Cl)c1)c1ncccn1 ZINC000037467204 582675025 /nfs/dbraw/zinc/67/50/25/582675025.db2.gz WHMOCOODBJESGE-LLVKDONJSA-N 0 1 233.702 2.373 10 0 BEAEMN C[C@@H](NC(=O)c1cnccc1N)C1CCCCC1 ZINC000127623767 582816261 /nfs/dbraw/zinc/81/62/61/582816261.db2.gz KVGBTLLNXCOBGA-SNVBAGLBSA-N 0 1 247.342 2.362 10 0 BEAEMN c1cc2c(o1)CCN[C@@H]2[C@H]1CCCCO1 ZINC000702581427 582927124 /nfs/dbraw/zinc/92/71/24/582927124.db2.gz TUGMPXCBRHFEMD-NEPJUHHUSA-N 0 1 207.273 2.036 10 0 BEAEMN COc1ccc([C@@H]2CCOC(C)(C)N2)cc1 ZINC000757140210 586427832 /nfs/dbraw/zinc/42/78/32/586427832.db2.gz KXFSGSIPFUMCQO-LBPRGKRZSA-N 0 1 221.300 2.482 10 0 BEAEMN CCc1ccccc1[C@@H]1C[N@@H+](CC)C[C@H]1C(=O)[O-] ZINC000757189830 586435666 /nfs/dbraw/zinc/43/56/66/586435666.db2.gz KXTOALSYWLWJQZ-UONOGXRCSA-N 0 1 247.338 2.369 10 0 BEAEMN Cc1cccc(C)c1[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)[O-] ZINC000757192397 586436098 /nfs/dbraw/zinc/43/60/98/586436098.db2.gz OFUAAVGNPKKJNG-NEPJUHHUSA-N 0 1 233.311 2.033 10 0 BEAEMN C[C@H]1CN(CCC(=O)C(C)(C)C)CC(C)(C)O1 ZINC000054026643 635326133 /nfs/dbraw/zinc/32/61/33/635326133.db2.gz VFYCTOXZKCFPEE-NSHDSACASA-N 0 1 241.375 2.491 10 0 BEAEMN Cc1nc([C@H](C)N[C@H](C)[C@H](C)O)c(C)s1 ZINC000309030959 631806297 /nfs/dbraw/zinc/80/62/97/631806297.db2.gz DTAPHUPRVGMBSM-CSMHCCOUSA-N 0 1 228.361 2.180 10 0 BEAEMN CCC[C@@H](C)C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000051322571 632504326 /nfs/dbraw/zinc/50/43/26/632504326.db2.gz BQLCNBLBKGCQGO-SNVBAGLBSA-N 0 1 213.321 2.362 10 0 BEAEMN O=C([O-])C[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000309319478 633895803 /nfs/dbraw/zinc/89/58/03/633895803.db2.gz AAPWSBCAMCURHH-JYBNPQIESA-N 0 1 231.723 2.316 10 0 BEAEMN C[C@@H](O)[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000309952322 633973469 /nfs/dbraw/zinc/97/34/69/633973469.db2.gz GSDZFDZNCZADGZ-RKDXNWHRSA-N 0 1 242.388 2.300 10 0 BEAEMN Cc1ccccc1[C@@H](O)CN1CCOC(C)(C)C1 ZINC000044159925 639894455 /nfs/dbraw/zinc/89/44/55/639894455.db2.gz FDQYKCSGEGPGQR-AWEZNQCLSA-N 0 1 249.354 2.139 10 0 BEAEMN Cn1nc(C(C)(C)C)nc1[C@@H](N)C(C)(C)C ZINC000054698805 640711406 /nfs/dbraw/zinc/71/14/06/640711406.db2.gz CCYHCNCTVSUURT-MRVPVSSYSA-N 0 1 224.352 2.159 10 0 BEAEMN CONC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000062065185 641020255 /nfs/dbraw/zinc/02/02/55/641020255.db2.gz MNGVQBCITURMAH-LLVKDONJSA-N 0 1 225.263 2.243 10 0 BEAEMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccnc2)C1 ZINC000062877585 641105849 /nfs/dbraw/zinc/10/58/49/641105849.db2.gz JHDISZRPFAQXBO-AWEZNQCLSA-N 0 1 248.326 2.158 10 0 BEAEMN C[C@@H]1OCCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000191242011 641908505 /nfs/dbraw/zinc/90/85/05/641908505.db2.gz PYPYDTRVVCPEIL-AAEUAGOBSA-N 0 1 249.310 2.050 10 0 BEAEMN Cc1cc(C)cc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])c1 ZINC000075991895 642933606 /nfs/dbraw/zinc/93/36/06/642933606.db2.gz HCZBPUVNGFFTIP-OLZOCXBDSA-N 0 1 233.311 2.033 10 0 BEAEMN CC1(C)CCC2(CC1)NC1(COC1)CCO2 ZINC000757149089 643333515 /nfs/dbraw/zinc/33/35/15/643333515.db2.gz PMSRDWRNYVAFAN-UHFFFAOYSA-N 0 1 225.332 2.062 10 0 BEAEMN C[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(C3CC3)cc2)C1 ZINC000757192537 643366156 /nfs/dbraw/zinc/36/61/56/643366156.db2.gz QNXSMUBJCYSFHF-KBPBESRZSA-N 0 1 245.322 2.294 10 0 BEAEMN CC(C)c1cnc(CN[C@H](C)[C@H](C)O)s1 ZINC000336773578 643461841 /nfs/dbraw/zinc/46/18/41/643461841.db2.gz YZCVCNZRDLEJIA-BDAKNGLRSA-N 0 1 228.361 2.125 10 0 BEAEMN Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)[O-])cc1C ZINC000082343127 644370773 /nfs/dbraw/zinc/37/07/73/644370773.db2.gz BAPLKOOJUQCAQN-OLZOCXBDSA-N 0 1 233.311 2.033 10 0 BEAEMN CC(C)(C)Cc1noc(-c2ccc(CN)o2)n1 ZINC000094555418 644719966 /nfs/dbraw/zinc/71/99/66/644719966.db2.gz BVLWOKHQUBFNLL-UHFFFAOYSA-N 0 1 235.287 2.377 10 0 BEAEMN CC(C)[C@H](N)c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251284594 644800894 /nfs/dbraw/zinc/80/08/94/644800894.db2.gz DZRQLGBMDHEOED-JXUBOQSCSA-N 0 1 221.304 2.239 10 0 BEAEMN CCN(C/C=C\c1ccccc1)C(=O)CN(C)C ZINC000096765694 644835312 /nfs/dbraw/zinc/83/53/12/644835312.db2.gz LVMSHLRJLSXHKX-FLIBITNWSA-N 0 1 246.354 2.110 10 0 BEAEMN CC(C)=CCCC(C)=CCNC(=O)c1cnn[nH]1 ZINC000096833113 644840814 /nfs/dbraw/zinc/84/08/14/644840814.db2.gz QEDYHYICLOBEMG-XFFZJAGNSA-N 0 1 248.330 2.227 10 0 BEAEMN CCC[C@H]1C[C@H]1NCc1nccn1C1CC1 ZINC000711817735 712332788 /nfs/dbraw/zinc/33/27/88/712332788.db2.gz NTMOGAZYYUOVFI-CMPLNLGQSA-N 0 1 219.332 2.496 10 0 BEAEMN COCC1CC(N[C@@H](C)c2cscn2)C1 ZINC000714006158 712477040 /nfs/dbraw/zinc/47/70/40/712477040.db2.gz GBMJECLKBMVZEH-IDKOKCKLSA-N 0 1 226.345 2.219 10 0 BEAEMN