smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-c2nnc(CNC3CC3)[nH]2)cc1 ZINC000214294185 967789677 /nfs/dbraw/zinc/78/96/77/967789677.db2.gz GSBRYWCWLLKMNN-UHFFFAOYSA-N 0 3 248.717 2.377 50 0 BEAAHN CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cccnc1 ZINC000823765924 968559619 /nfs/dbraw/zinc/55/96/19/968559619.db2.gz CWGFVSFKWUYNCM-RRFJBIMHSA-N 0 3 246.354 2.380 50 0 BEAAHN CC(C)[C@@H](NCC(N)=O)c1ccc(Cl)cc1 ZINC000058279969 398136292 /nfs/dbraw/zinc/13/62/92/398136292.db2.gz INOHVGRDDOHTMJ-GFCCVEGCSA-N 0 3 240.734 2.112 50 0 BEAAHN Cc1cc(C(F)(F)F)nc([C@H]2CCCN2)n1 ZINC000070947418 398142678 /nfs/dbraw/zinc/14/26/78/398142678.db2.gz XMDGVBMADSZYRQ-SSDOTTSWSA-N 0 3 231.221 2.228 50 0 BEAAHN COc1ccc(CN2CCC[C@@H]3CCC[C@H]32)nn1 ZINC000241277698 398160040 /nfs/dbraw/zinc/16/00/40/398160040.db2.gz LIKQPFKSCYVWKH-WCQYABFASA-N 0 3 247.342 2.250 50 0 BEAAHN CC(C)=CCN[C@H](CO)c1ccccc1 ZINC000095783766 187326217 /nfs/dbraw/zinc/32/62/17/187326217.db2.gz JWZQUWLVYUWCRD-CYBMUJFWSA-N 0 3 205.301 2.276 50 0 BEAAHN C[C@H](CN[C@@H](C)c1ccsc1)[S@](C)=O ZINC000170591558 361755468 /nfs/dbraw/zinc/75/54/68/361755468.db2.gz GNFDVHUPGDNODP-ITMYJUKJSA-N 0 3 231.386 2.166 50 0 BEAAHN CCC(CC)CN[C@H]1CCCn2ncnc21 ZINC000096493686 168364776 /nfs/dbraw/zinc/36/47/76/168364776.db2.gz GOEJATNWGOIUMU-NSHDSACASA-N 0 3 222.336 2.139 50 0 BEAAHN Cc1ccc(-c2cc(CN)[nH]n2)cc1C ZINC000020270439 178320593 /nfs/dbraw/zinc/32/05/93/178320593.db2.gz NFASTJCRQLNUCG-UHFFFAOYSA-N 0 3 201.273 2.152 50 0 BEAAHN Cn1cccc1CNCc1ccc2c(c1)OCO2 ZINC000004488545 342748183 /nfs/dbraw/zinc/74/81/83/342748183.db2.gz SWHFYFXRJJVBSX-UHFFFAOYSA-N 0 3 244.294 2.044 50 0 BEAAHN CC(C)(C)OC(=O)C[C@H](N)c1ccccc1 ZINC000002569685 342724833 /nfs/dbraw/zinc/72/48/33/342724833.db2.gz TYYCBAISLMKLMT-NSHDSACASA-N 0 3 221.300 2.418 50 0 BEAAHN N[C@@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000006575140 342779594 /nfs/dbraw/zinc/77/95/94/342779594.db2.gz YWWWBFXZRQYHEV-HNNXBMFYSA-N 0 3 243.306 2.258 50 0 BEAAHN CC1(C)CO[C@H](c2cccc(F)c2)CN1 ZINC000036673024 342824869 /nfs/dbraw/zinc/82/48/69/342824869.db2.gz MVNHMIHGVNHOFP-NSHDSACASA-N 0 3 209.264 2.265 50 0 BEAAHN N[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000012376219 342850480 /nfs/dbraw/zinc/85/04/80/342850480.db2.gz ZMBVNXGMRQPTHV-CQSZACIVSA-N 0 3 246.354 2.005 50 0 BEAAHN CCC[C@@H](N)c1cn(Cc2ccccc2F)nn1 ZINC000229958838 342860303 /nfs/dbraw/zinc/86/03/03/342860303.db2.gz YFLPYPRWRSSZSL-GFCCVEGCSA-N 0 3 248.305 2.265 50 0 BEAAHN COC(=O)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000015440620 342896314 /nfs/dbraw/zinc/89/63/14/342896314.db2.gz LMGBGJYWZRQZMX-GFCCVEGCSA-N 0 3 221.300 2.373 50 0 BEAAHN Nc1ccc(OCCN2CCCCC2)c(F)c1 ZINC000014630637 342882969 /nfs/dbraw/zinc/88/29/69/342882969.db2.gz GXKQERCLTFQFAM-UHFFFAOYSA-N 0 3 238.306 2.273 50 0 BEAAHN NNc1ncc(C(F)(F)F)cc1C(F)(F)F ZINC000015906901 342903002 /nfs/dbraw/zinc/90/30/02/342903002.db2.gz YMXQTDKQYMHWPF-UHFFFAOYSA-N 0 3 245.126 2.405 50 0 BEAAHN Fc1cccc(-c2noc3c2CNCC3)c1 ZINC000019200212 342943408 /nfs/dbraw/zinc/94/34/08/342943408.db2.gz FLAOUDPXYMNWMD-UHFFFAOYSA-N 0 3 218.231 2.126 50 0 BEAAHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccccc1C ZINC000019512445 342950584 /nfs/dbraw/zinc/95/05/84/342950584.db2.gz WLLALGBZTDZJBW-BXKDBHETSA-N 0 3 220.316 2.307 50 0 BEAAHN CC(C)N1CCN(Cc2ccccc2)CC1 ZINC000019788861 342957850 /nfs/dbraw/zinc/95/78/50/342957850.db2.gz LYXXHMOCQTVBIM-UHFFFAOYSA-N 0 3 218.344 2.213 50 0 BEAAHN Cc1ccc(NC(=O)CNC(C)(C)C)cc1 ZINC000020056774 342967391 /nfs/dbraw/zinc/96/73/91/342967391.db2.gz BVICRKRWZGMDEC-UHFFFAOYSA-N 0 3 220.316 2.322 50 0 BEAAHN CCN(Cc1ccccc1)C(=O)[C@H](N)C(C)C ZINC000020486535 342987324 /nfs/dbraw/zinc/98/73/24/342987324.db2.gz OSOXIVWSQQOFAQ-CYBMUJFWSA-N 0 3 234.343 2.018 50 0 BEAAHN CC[C@@H](C)C(=O)Nc1cccc(CN)c1 ZINC000022177358 343042996 /nfs/dbraw/zinc/04/29/96/343042996.db2.gz XCJGXWRVOSGDDO-SECBINFHSA-N 0 3 206.289 2.130 50 0 BEAAHN C[C@H](CCc1ccccc1)N1CCN(C)CC1 ZINC000022456123 343049242 /nfs/dbraw/zinc/04/92/42/343049242.db2.gz XOKGAOFSSSIMKP-CQSZACIVSA-N 0 3 232.371 2.255 50 0 BEAAHN CCOc1ccccc1CN1CCC[C@@H](CO)C1 ZINC000023115148 343059180 /nfs/dbraw/zinc/05/91/80/343059180.db2.gz IMQFQSKXUWEILS-CYBMUJFWSA-N 0 3 249.354 2.290 50 0 BEAAHN C[C@@H](NCCn1cccn1)c1cccc(F)c1 ZINC000042538971 362006130 /nfs/dbraw/zinc/00/61/30/362006130.db2.gz GSXDVPRURKKHAQ-LLVKDONJSA-N 0 3 233.290 2.373 50 0 BEAAHN CCc1ccc(CN2CCC(O)CC2)cc1 ZINC000004978691 343139401 /nfs/dbraw/zinc/13/94/01/343139401.db2.gz NYBSYWQQNHVGJR-UHFFFAOYSA-N 0 3 219.328 2.206 50 0 BEAAHN COc1cc(CN2CCCCC2)ccc1O ZINC000004987566 343139427 /nfs/dbraw/zinc/13/94/27/343139427.db2.gz BKZDFGOUPCCFCI-UHFFFAOYSA-N 0 3 221.300 2.387 50 0 BEAAHN OCCNCc1ccc(-c2ccccc2)o1 ZINC000004942834 187248178 /nfs/dbraw/zinc/24/81/78/187248178.db2.gz XQLGTSOAVVWOKB-UHFFFAOYSA-N 0 3 217.268 2.029 50 0 BEAAHN COc1ccccc1NC(=O)CNC(C)(C)C ZINC000008187836 187248837 /nfs/dbraw/zinc/24/88/37/187248837.db2.gz LHGHWELFJIVTFC-UHFFFAOYSA-N 0 3 236.315 2.022 50 0 BEAAHN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1 ZINC000032012611 343227994 /nfs/dbraw/zinc/22/79/94/343227994.db2.gz DAGWNRUYMBGFSV-KWQFWETISA-N 0 3 211.692 2.389 50 0 BEAAHN COC[C@H](C)NCc1ccc(C)c(C)c1 ZINC000034991605 343282843 /nfs/dbraw/zinc/28/28/43/343282843.db2.gz MHKNWWGENAQDRG-LBPRGKRZSA-N 0 3 207.317 2.428 50 0 BEAAHN N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000035652963 343301180 /nfs/dbraw/zinc/30/11/80/343301180.db2.gz URMAYQIYUBDETJ-LURJTMIESA-N 0 3 204.056 2.386 50 0 BEAAHN CC(C)[C@@H](N)c1nc2ccccc2n1C ZINC000036895894 187259442 /nfs/dbraw/zinc/25/94/42/187259442.db2.gz RRJWFRVOKOQSRC-LLVKDONJSA-N 0 3 203.289 2.229 50 0 BEAAHN Fc1cc([C@@H]2CNCCN2)c(Cl)cc1Cl ZINC000039934050 343393348 /nfs/dbraw/zinc/39/33/48/343393348.db2.gz UXYATDLPBMRWFA-JTQLQIEISA-N 0 3 249.116 2.366 50 0 BEAAHN N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000040449133 343404186 /nfs/dbraw/zinc/40/41/86/343404186.db2.gz ZTXURZVDGVBCIG-GFCCVEGCSA-N 0 3 225.295 2.480 50 0 BEAAHN COC(=O)c1sc2ccccc2c1CN ZINC000044250009 343496851 /nfs/dbraw/zinc/49/68/51/343496851.db2.gz OGCGSQALZHWLMW-UHFFFAOYSA-N 0 3 221.281 2.147 50 0 BEAAHN CC(C)CN1CCCN(c2nccs2)CC1 ZINC000060099570 343715698 /nfs/dbraw/zinc/71/56/98/343715698.db2.gz BRJULCNHZRPQDO-UHFFFAOYSA-N 0 3 239.388 2.311 50 0 BEAAHN CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000098018413 187289765 /nfs/dbraw/zinc/28/97/65/187289765.db2.gz DTDPKRCXNYUZSY-UHFFFAOYSA-N 0 3 206.289 2.015 50 0 BEAAHN C[C@H](COc1ccc(C=O)cc1)CN(C)C ZINC000033421496 345794814 /nfs/dbraw/zinc/79/48/14/345794814.db2.gz QWMWJJACIDLGKD-NSHDSACASA-N 0 3 221.300 2.076 50 0 BEAAHN CCN(CC)CC[S@](=O)c1ccccc1 ZINC000005708408 346074647 /nfs/dbraw/zinc/07/46/47/346074647.db2.gz WPQTXOHIHPUDMM-OAHLLOKOSA-N 0 3 225.357 2.136 50 0 BEAAHN CCOc1ccc(C(=O)CCN(C)C)cc1 ZINC000000297261 346406768 /nfs/dbraw/zinc/40/67/68/346406768.db2.gz PXJIWJBRMWGNFM-UHFFFAOYSA-N 0 3 221.300 2.220 50 0 BEAAHN Cc1cc(C)cc(OC[C@H](O)CN2CCCC2)c1 ZINC000001462696 346447699 /nfs/dbraw/zinc/44/76/99/346447699.db2.gz SLRPVTOJXVFERZ-CQSZACIVSA-N 0 3 249.354 2.139 50 0 BEAAHN Cc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000019412120 179140736 /nfs/dbraw/zinc/14/07/36/179140736.db2.gz OVQKJBGABZEIRR-GFCCVEGCSA-N 0 3 218.300 2.076 50 0 BEAAHN Cc1n[nH]cc1CN[C@@H](C)Cc1ccco1 ZINC000036994139 229574467 /nfs/dbraw/zinc/57/44/67/229574467.db2.gz CUMNIKUSHNLWCL-VIFPVBQESA-N 0 3 219.288 2.032 50 0 BEAAHN CN1CCC(NC(=S)Nc2ccccc2)CC1 ZINC000013775528 362804720 /nfs/dbraw/zinc/80/47/20/362804720.db2.gz YZSKVZCFTUVNOM-UHFFFAOYSA-N 0 3 249.383 2.067 50 0 BEAAHN Cc1cccc([C@H]2CCCCN2C(=O)CN)c1C ZINC000237728159 179203657 /nfs/dbraw/zinc/20/36/57/179203657.db2.gz BJYOFOFKQQTAHC-CQSZACIVSA-N 0 3 246.354 2.316 50 0 BEAAHN Cc1ccccc1-c1noc([C@H]2CCCN2)n1 ZINC000022147659 179240652 /nfs/dbraw/zinc/24/06/52/179240652.db2.gz YEBOZYURVAOQNG-LLVKDONJSA-N 0 3 229.283 2.470 50 0 BEAAHN Cc1ccccc1C(C)(C)CNC(=O)C(C)(C)N ZINC000083910289 179254095 /nfs/dbraw/zinc/25/40/95/179254095.db2.gz IUQOHNXGXYLOLM-UHFFFAOYSA-N 0 3 248.370 2.126 50 0 BEAAHN Cc1ccccc1CSC1=NCCN1 ZINC000001994453 179287203 /nfs/dbraw/zinc/28/72/03/179287203.db2.gz VPVWPUACKHWQBH-UHFFFAOYSA-N 0 3 206.314 2.187 50 0 BEAAHN COC(CNCc1ccc(SC)cc1)OC ZINC000006541920 349306993 /nfs/dbraw/zinc/30/69/93/349306993.db2.gz OPMFIDWEJBVKFH-UHFFFAOYSA-N 0 3 241.356 2.117 50 0 BEAAHN OCC[C@H]1CCCCN1Cc1ccsc1 ZINC000023115053 350175425 /nfs/dbraw/zinc/17/54/25/350175425.db2.gz VBRRRWYYODKMGW-GFCCVEGCSA-N 0 3 225.357 2.485 50 0 BEAAHN Cc1nccn1CCN(C)C[C@H](C)C(F)(F)F ZINC000216240471 180252357 /nfs/dbraw/zinc/25/23/57/180252357.db2.gz YKJUKQVPAIZEAW-VIFPVBQESA-N 0 3 249.280 2.322 50 0 BEAAHN Cc1nccn1CCN1CCC[C@](C)(F)C1 ZINC000295566931 180254216 /nfs/dbraw/zinc/25/42/16/180254216.db2.gz YJIDGUHVYYPSDE-LBPRGKRZSA-N 0 3 225.311 2.016 50 0 BEAAHN CC(C)CCC(=O)NC[C@@H](C)N1CCCC1 ZINC000040522517 350373125 /nfs/dbraw/zinc/37/31/25/350373125.db2.gz VWMHTTBKQSPQJC-GFCCVEGCSA-N 0 3 226.364 2.023 50 0 BEAAHN CCNCc1cc(-c2ccc(N(C)C)cc2)n[nH]1 ZINC000725264669 538091790 /nfs/dbraw/zinc/09/17/90/538091790.db2.gz FGKXYODCQIUHBU-UHFFFAOYSA-N 0 3 244.342 2.252 50 0 BEAAHN Cc1ccc(NC(=O)[C@H](N)CCC(C)C)c(C)n1 ZINC000638072985 351945269 /nfs/dbraw/zinc/94/52/69/351945269.db2.gz ATVMGFZBSCFAHG-GFCCVEGCSA-N 0 3 249.358 2.400 50 0 BEAAHN Ic1cccc2c1CCN2 ZINC000008699785 187586862 /nfs/dbraw/zinc/58/68/62/187586862.db2.gz ICRWMYXARVZGBS-UHFFFAOYSA-N 0 3 245.063 2.259 50 0 BEAAHN C[C@@H]1C[C@H](C)CN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000032865941 352234839 /nfs/dbraw/zinc/23/48/39/352234839.db2.gz FJKQDJPBSGECLK-MBNYWOFBSA-N 0 3 246.354 2.191 50 0 BEAAHN CC[C@@H](O)CN[C@@H](C)c1cc(C)oc1C ZINC000044730410 352385156 /nfs/dbraw/zinc/38/51/56/352385156.db2.gz VOQRIHVRYXECJE-GXSJLCMTSA-N 0 3 211.305 2.318 50 0 BEAAHN COc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000225770863 188010538 /nfs/dbraw/zinc/01/05/38/188010538.db2.gz LIKQPFKSCYVWKH-AAEUAGOBSA-N 0 3 247.342 2.250 50 0 BEAAHN OCCCNCc1ccc(Cl)c(Cl)c1 ZINC000001657069 188274288 /nfs/dbraw/zinc/27/42/88/188274288.db2.gz WIKFFALWKXCIRI-UHFFFAOYSA-N 0 3 234.126 2.465 50 0 BEAAHN CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000004612675 188276869 /nfs/dbraw/zinc/27/68/69/188276869.db2.gz WWRHBQHLQUOKQV-UHFFFAOYSA-N 0 3 208.280 2.332 50 0 BEAAHN c1c([C@H]2CC=CCC2)nnn1CCN1CCCC1 ZINC000067884980 188304883 /nfs/dbraw/zinc/30/48/83/188304883.db2.gz LKGYPNGBVBVDOD-ZDUSSCGKSA-N 0 3 246.358 2.198 50 0 BEAAHN Cc1cc(Br)c2c(c1)CNCC2 ZINC000095883948 188321814 /nfs/dbraw/zinc/32/18/14/188321814.db2.gz FTLXOFQFQOLFTG-UHFFFAOYSA-N 0 3 226.117 2.403 50 0 BEAAHN CC(C)N(C[C@@H](O)C(F)(F)F)C(C)C ZINC000004050533 188336378 /nfs/dbraw/zinc/33/63/78/188336378.db2.gz JRYKIVPIIVAGDW-MRVPVSSYSA-N 0 3 213.243 2.028 50 0 BEAAHN NNc1ccc(Cc2cccc(Cl)c2)nn1 ZINC000001396411 353372913 /nfs/dbraw/zinc/37/29/13/353372913.db2.gz VZDHHHJGKDKMQG-UHFFFAOYSA-N 0 3 234.690 2.006 50 0 BEAAHN CC(C)N1CCCN(Cc2nccs2)CC1 ZINC000269685343 188375429 /nfs/dbraw/zinc/37/54/29/188375429.db2.gz GKVXWFHOLGCIHN-UHFFFAOYSA-N 0 3 239.388 2.059 50 0 BEAAHN C([C@H]1CCCCO1)N1CCO[C@H]2CCCC[C@H]21 ZINC000336715242 188359458 /nfs/dbraw/zinc/35/94/58/188359458.db2.gz ULJHWRYZHASEAS-MCIONIFRSA-N 0 3 239.359 2.199 50 0 BEAAHN C/C(=C/c1ccccc1)CN1CC[C@@H](O)C1 ZINC000097230520 188365588 /nfs/dbraw/zinc/36/55/88/188365588.db2.gz FNADMRYQKHMPLM-FWLQQBITSA-N 0 3 217.312 2.157 50 0 BEAAHN C[C@H](CN(C)C)OC(=O)c1ccc(Cl)cc1 ZINC000004776102 356362704 /nfs/dbraw/zinc/36/27/04/356362704.db2.gz UPQHNTIFPUVBHQ-SECBINFHSA-N 0 3 241.718 2.447 50 0 BEAAHN NC(=O)[C@H](NC1CCCCC1)c1ccccc1 ZINC000037855723 181277861 /nfs/dbraw/zinc/27/78/61/181277861.db2.gz XGWSOHUPUKOODX-CYBMUJFWSA-N 0 3 232.327 2.135 50 0 BEAAHN NC(=O)[C@H](c1ccccc1)N1CCCCCC1 ZINC000026160325 181278269 /nfs/dbraw/zinc/27/82/69/181278269.db2.gz HVTQWFVIFXGMEQ-ZDUSSCGKSA-N 0 3 232.327 2.089 50 0 BEAAHN Cn1nc(C2CCC2)cc1NC1CCN(C)CC1 ZINC000095991626 538613831 /nfs/dbraw/zinc/61/38/31/538613831.db2.gz XRFIAXUDHHKJDD-UHFFFAOYSA-N 0 3 248.374 2.194 50 0 BEAAHN Cc1ccc([C@@]2(O)CN3CCC2CC3)cc1C ZINC000075260142 356926957 /nfs/dbraw/zinc/92/69/57/356926957.db2.gz SSENIGBPIVLHNY-OAHLLOKOSA-N 0 3 231.339 2.217 50 0 BEAAHN OCc1ccc(CNC[C@@H]2CCCC2(F)F)o1 ZINC000390606696 357112088 /nfs/dbraw/zinc/11/20/88/357112088.db2.gz VUSXMNMEVOGDKN-VIFPVBQESA-N 0 3 245.269 2.297 50 0 BEAAHN CCC(=O)O[C@@]1(c2ccccc2)CN(C)C[C@H]1C ZINC000256017007 359341190 /nfs/dbraw/zinc/34/11/90/359341190.db2.gz ZYPZDVCEBCVJGX-DOMZBBRYSA-N 0 3 247.338 2.417 50 0 BEAAHN CC(C)(C)OC(=O)N1Cc2cccc(CN)c2C1 ZINC000238214004 360709588 /nfs/dbraw/zinc/70/95/88/360709588.db2.gz RFCDKBGFKMSGMK-UHFFFAOYSA-N 0 3 248.326 2.396 50 0 BEAAHN NC(=O)c1csc(CN[C@H]2CC=CCC2)c1 ZINC000086573776 181311847 /nfs/dbraw/zinc/31/18/47/181311847.db2.gz VJVJEPMXGLFHCB-JTQLQIEISA-N 0 3 236.340 2.045 50 0 BEAAHN O=C(NC1CCN(C2CC2)CC1)[C@H]1CC=CCC1 ZINC000029091221 182115288 /nfs/dbraw/zinc/11/52/88/182115288.db2.gz SHPXJFHWYFMWKM-LBPRGKRZSA-N 0 3 248.370 2.086 50 0 BEAAHN Cc1ccc(F)cc1NC(=O)CNC(C)(C)C ZINC000009586310 374169992 /nfs/dbraw/zinc/16/99/92/374169992.db2.gz MEKWJTIRQQGSFL-UHFFFAOYSA-N 0 3 238.306 2.461 50 0 BEAAHN CCCCSC1=NN/C(=C2\C=CC=N2)O1 ZINC000009582348 374170096 /nfs/dbraw/zinc/17/00/96/374170096.db2.gz MLXPCEVERRIBEL-HJWRWDBZSA-N 0 3 223.301 2.220 50 0 BEAAHN OC12C[C@@H]3C[C@H](C1)CC(NCc1ccco1)(C3)C2 ZINC000013729024 183024631 /nfs/dbraw/zinc/02/46/31/183024631.db2.gz WAHOWIWAUNTOQN-AVJIGQEQSA-N 0 3 247.338 2.453 50 0 BEAAHN OC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000000246492 183117924 /nfs/dbraw/zinc/11/79/24/183117924.db2.gz JSSDOBNDORIUFT-LLVKDONJSA-N 0 3 223.291 2.030 50 0 BEAAHN OC[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000000209246 183147892 /nfs/dbraw/zinc/14/78/92/183147892.db2.gz WFFMPRMTKDKYAZ-CYBMUJFWSA-N 0 3 223.291 2.173 50 0 BEAAHN OC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682945 183150403 /nfs/dbraw/zinc/15/04/03/183150403.db2.gz JWKYWLDINRFVBK-LBPRGKRZSA-N 0 3 223.291 2.030 50 0 BEAAHN OCc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000525792 183166601 /nfs/dbraw/zinc/16/66/01/183166601.db2.gz FUAJLBSACXGZLD-ZDUSSCGKSA-N 0 3 242.322 2.114 50 0 biogenic BEAAHN c1cc(CN2CCC3(CCOCC3)CC2)ccn1 ZINC000072168985 183340091 /nfs/dbraw/zinc/34/00/91/183340091.db2.gz BCOAHCQAFHLRRA-UHFFFAOYSA-N 0 3 246.354 2.474 50 0 BEAAHN c1cc(CNC2CC2)cc(OC[C@@H]2CCOC2)c1 ZINC000041079127 183349130 /nfs/dbraw/zinc/34/91/30/183349130.db2.gz LFYHNODCPAKSQV-CYBMUJFWSA-N 0 3 247.338 2.354 50 0 BEAAHN c1[nH]nc2ccc(N[C@@H]3CN4CCC3CC4)cc12 ZINC000036989642 183363892 /nfs/dbraw/zinc/36/38/92/183363892.db2.gz JHKAKBRKPHFNAU-CQSZACIVSA-N 0 3 242.326 2.069 50 0 BEAAHN CCC[C@@H](C)CNCc1nnc2ccccn21 ZINC000020185696 169360093 /nfs/dbraw/zinc/36/00/93/169360093.db2.gz HVGPLWDEQRCVLL-LLVKDONJSA-N 0 3 232.331 2.255 50 0 BEAAHN CCC[C@@H](N)C(=O)N(CC)Cc1ccccc1 ZINC000036873095 169386947 /nfs/dbraw/zinc/38/69/47/169386947.db2.gz HHJPDKQIPXSPQE-CYBMUJFWSA-N 0 3 234.343 2.163 50 0 BEAAHN c1cc2n(c1)CCN[C@@H]2Cc1ccccc1 ZINC000000186720 383842937 /nfs/dbraw/zinc/84/29/37/383842937.db2.gz LHCUTESRDMXEBA-CYBMUJFWSA-N 0 3 212.296 2.375 50 0 BEAAHN CC(C)[C@H]1OCC[C@@H]1CNCc1ccco1 ZINC000165415032 383850676 /nfs/dbraw/zinc/85/06/76/383850676.db2.gz IWKOWKYFTDUKQG-DGCLKSJQSA-N 0 3 223.316 2.430 50 0 BEAAHN NCc1cc(Br)ccc1F ZINC000000403509 383863969 /nfs/dbraw/zinc/86/39/69/383863969.db2.gz PDKBJZGGXHTHNC-UHFFFAOYSA-N 0 3 204.042 2.047 50 0 BEAAHN CN(C)CCOC(=O)c1cccc(Cl)c1 ZINC000000536381 383875685 /nfs/dbraw/zinc/87/56/85/383875685.db2.gz SYWKZBLTCTWUCX-UHFFFAOYSA-N 0 3 227.691 2.058 50 0 BEAAHN NCc1cc(Cl)ccc1OC(F)F ZINC000036888844 383918281 /nfs/dbraw/zinc/91/82/81/383918281.db2.gz TUCKCIJXTOOLEL-UHFFFAOYSA-N 0 3 207.607 2.400 50 0 BEAAHN CN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562021 383927689 /nfs/dbraw/zinc/92/76/89/383927689.db2.gz RDOGJDKOVZGIRV-UHFFFAOYSA-N 0 3 219.263 2.277 50 0 BEAAHN CC[C@@H](CO)NCc1ccccc1OC(C)C ZINC000002882957 383991002 /nfs/dbraw/zinc/99/10/02/383991002.db2.gz OHWFJVSKCHVELD-ZDUSSCGKSA-N 0 3 237.343 2.334 50 0 BEAAHN CN(C)CC[C@H](O)c1c[nH]c2ccccc21 ZINC000001843285 383938883 /nfs/dbraw/zinc/93/88/83/383938883.db2.gz HFOWQNTXLGHABX-ZDUSSCGKSA-N 0 3 218.300 2.153 50 0 BEAAHN COC(=O)c1ccc(CNC2CCCCC2)o1 ZINC000004237826 384050265 /nfs/dbraw/zinc/05/02/65/384050265.db2.gz AHKAVJOEVSHWNT-UHFFFAOYSA-N 0 3 237.299 2.489 50 0 BEAAHN CN(C)CCOc1ccccc1Br ZINC000004914895 384087773 /nfs/dbraw/zinc/08/77/73/384087773.db2.gz OUWAXRLVNYTZJK-UHFFFAOYSA-N 0 3 244.132 2.390 50 0 in-vivo BEAAHN CN(CC(=O)Nc1cccnc1)C1CCCCC1 ZINC000071794500 384063245 /nfs/dbraw/zinc/06/32/45/384063245.db2.gz JNXPBELJSRVGST-UHFFFAOYSA-N 0 3 247.342 2.285 50 0 BEAAHN CC[C@@H](CO)NCc1ccccc1Cl ZINC000005651139 384124752 /nfs/dbraw/zinc/12/47/52/384124752.db2.gz OGFBATFFPAVFKT-JTQLQIEISA-N 0 3 213.708 2.201 50 0 BEAAHN Fc1ccc(Br)c2c1CNCC2 ZINC000070652876 384130245 /nfs/dbraw/zinc/13/02/45/384130245.db2.gz VEFJLANOEZRMJY-UHFFFAOYSA-N 0 3 230.080 2.234 50 0 BEAAHN c1ccc2[nH]c([C@@H]3CCCCN3)nc2c1 ZINC000005974860 384141148 /nfs/dbraw/zinc/14/11/48/384141148.db2.gz WADQLYMWCOLMMB-NSHDSACASA-N 0 3 201.273 2.378 50 0 BEAAHN Cc1ccc(OC2CNC2)c(Br)c1 ZINC000042769845 384239705 /nfs/dbraw/zinc/23/97/05/384239705.db2.gz FLUDJSSWONWTKJ-UHFFFAOYSA-N 0 3 242.116 2.108 50 0 BEAAHN Cc1ccc([C@@]2(O)CN3CCC2CC3)c(C)c1 ZINC000000092963 384272486 /nfs/dbraw/zinc/27/24/86/384272486.db2.gz SYUPTRJRHZTOOL-OAHLLOKOSA-N 0 3 231.339 2.217 50 0 BEAAHN c1ccc2c(c1)CC[C@]1(C2)NCCS1 ZINC000043827601 384304287 /nfs/dbraw/zinc/30/42/87/384304287.db2.gz VIZRDYJMUOJXHE-LBPRGKRZSA-N 0 3 205.326 2.208 50 0 BEAAHN FC(F)(F)c1cccc2c1CNCC2 ZINC000012956933 384344710 /nfs/dbraw/zinc/34/47/10/384344710.db2.gz ZISQRAKOWZOXDR-UHFFFAOYSA-N 0 3 201.191 2.351 50 0 BEAAHN CC(C)(C)NCC(=O)COc1ccccc1 ZINC000095836502 384403529 /nfs/dbraw/zinc/40/35/29/384403529.db2.gz QMWLPUTYUTXWAC-UHFFFAOYSA-N 0 3 221.300 2.023 50 0 BEAAHN CC(C)=CCN1CCC(n2cccn2)CC1 ZINC000097212430 384443307 /nfs/dbraw/zinc/44/33/07/384443307.db2.gz VMYMWWUMLAOCFM-UHFFFAOYSA-N 0 3 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ZINC000082164018 384647651 /nfs/dbraw/zinc/64/76/51/384647651.db2.gz VEPBBSLKWKIBHV-VIFPVBQESA-N 0 3 227.210 2.264 50 0 BEAAHN NCc1cc2cccnc2cc1Br ZINC000082164036 384648430 /nfs/dbraw/zinc/64/84/30/384648430.db2.gz XSHZBEAGEJEDLP-UHFFFAOYSA-N 0 3 237.100 2.456 50 0 BEAAHN C[C@@H]1C[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC000021938376 384705753 /nfs/dbraw/zinc/70/57/53/384705753.db2.gz IIEYIRRJWJSYKQ-BXUZGUMPSA-N 0 3 246.354 2.020 50 0 BEAAHN CC(C)C[C@H](N)C(=O)N(C)Cc1ccccc1 ZINC000011960961 384741581 /nfs/dbraw/zinc/74/15/81/384741581.db2.gz RLBDAOSSJZBCNF-ZDUSSCGKSA-N 0 3 234.343 2.018 50 0 BEAAHN C[C@@H](c1cccc(F)c1)N1CCC(O)CC1 ZINC000056492917 384796573 /nfs/dbraw/zinc/79/65/73/384796573.db2.gz XSXYJOZQXHRKFH-JTQLQIEISA-N 0 3 223.291 2.343 50 0 BEAAHN C[C@H](CO)NCc1csc2c1CCCC2 ZINC000065431758 385627511 /nfs/dbraw/zinc/62/75/11/385627511.db2.gz KYVQGPCPYKLICM-SECBINFHSA-N 0 3 225.357 2.097 50 0 BEAAHN C[C@@H]1C[C@H]1NCc1cc2ccccc2[nH]c1=O ZINC000052272073 385716414 /nfs/dbraw/zinc/71/64/14/385716414.db2.gz BVQQDSVKWBOVNH-NOZJJQNGSA-N 0 3 228.295 2.438 50 0 BEAAHN CCN(CCO)C/C(C)=C/c1ccccc1 ZINC000096489443 387466219 /nfs/dbraw/zinc/46/62/19/387466219.db2.gz FVCKPJYMZHFAGA-ACCUITESSA-N 0 3 219.328 2.404 50 0 BEAAHN CC(=O)Nc1ccc(CNC2CC(C)(C)C2)cn1 ZINC000433058564 387857816 /nfs/dbraw/zinc/85/78/16/387857816.db2.gz KZJOHUPLAHOKLS-UHFFFAOYSA-N 0 3 247.342 2.318 50 0 BEAAHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccco2)C1(C)C ZINC000170065394 388257664 /nfs/dbraw/zinc/25/76/64/388257664.db2.gz ZJCUTXLXUUMOQV-YUSALJHKSA-N 0 3 223.316 2.429 50 0 BEAAHN CCc1ccc([C@H](C)NC[C@@H](C)[S@](C)=O)o1 ZINC000170062548 388257814 /nfs/dbraw/zinc/25/78/14/388257814.db2.gz ALJKWCWQVGRCRA-LSYCYVAJSA-N 0 3 243.372 2.260 50 0 BEAAHN Cc1ccoc1CNC[C@@H]1CCCn2ccnc21 ZINC000089701980 388362063 /nfs/dbraw/zinc/36/20/63/388362063.db2.gz OBQKZZXBTFCPNC-LBPRGKRZSA-N 0 3 245.326 2.452 50 0 BEAAHN CC/C=C(\C)C(=O)NC1CCN(C2CC2)CC1 ZINC000042742955 388445527 /nfs/dbraw/zinc/44/55/27/388445527.db2.gz PWQMQOJGMHIHPF-NYYWCZLTSA-N 0 3 236.359 2.086 50 0 BEAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2ccccn2)c1 ZINC000069899398 388430033 /nfs/dbraw/zinc/43/00/33/388430033.db2.gz DKKVRUQSHZZPOY-OLZOCXBDSA-N 0 3 244.342 2.326 50 0 BEAAHN Cc1ccc(CN2CCN(C)C[C@H]2C(C)C)nc1 ZINC000108472683 388624590 /nfs/dbraw/zinc/62/45/90/388624590.db2.gz FWUYIUQAUQXISY-HNNXBMFYSA-N 0 3 247.386 2.162 50 0 BEAAHN C[C@H]1CNCc2cc(C(F)(F)F)cnc21 ZINC000091368649 388628735 /nfs/dbraw/zinc/62/87/35/388628735.db2.gz BRPSXMKJOWCZIF-LURJTMIESA-N 0 3 216.206 2.307 50 0 BEAAHN FCCCCCN1CCOC2(CCOCC2)C1 ZINC000225467270 388709987 /nfs/dbraw/zinc/70/99/87/388709987.db2.gz GIDKGBZVKDPDNF-UHFFFAOYSA-N 0 3 245.338 2.008 50 0 BEAAHN CC[C@](C)(CCO)NCc1nc(C)cs1 ZINC000095416723 388768070 /nfs/dbraw/zinc/76/80/70/388768070.db2.gz QGTOUTXHZSMNCH-LLVKDONJSA-N 0 3 228.361 2.092 50 0 BEAAHN CC(C)n1ccnc1CSCCN(C)C ZINC000095441039 388770647 /nfs/dbraw/zinc/77/06/47/388770647.db2.gz 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CC1CCC(Oc2cc(CN)ccn2)CC1 ZINC000019276535 168168728 /nfs/dbraw/zinc/16/87/28/168168728.db2.gz BEMYFGFNLBSDKS-UHFFFAOYSA-N 0 3 220.316 2.498 50 0 BEAAHN CCc1ccc([C@H](C)N[C@H](C)CC(N)=O)cc1 ZINC000078739060 411391188 /nfs/dbraw/zinc/39/11/88/411391188.db2.gz ZQARJYZAXJBHMC-MNOVXSKESA-N 0 3 234.343 2.164 50 0 BEAAHN CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C1 ZINC000003638749 168249385 /nfs/dbraw/zinc/24/93/85/168249385.db2.gz HSCOGTOYLILNHR-AWEZNQCLSA-N 0 3 233.311 2.171 50 0 BEAAHN CCNC(=O)CN(CC)CC1CCCCC1 ZINC000039990614 170056424 /nfs/dbraw/zinc/05/64/24/170056424.db2.gz QDJSNWTXQWUCFK-UHFFFAOYSA-N 0 3 226.364 2.025 50 0 BEAAHN CCOC(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000000001681 170191350 /nfs/dbraw/zinc/19/13/50/170191350.db2.gz XADCESSVHJOZHK-UHFFFAOYSA-N 0 3 247.338 2.213 50 0 fda BEAAHN CCOC(=O)C[C@@H](N)c1cccc(OCC)c1 ZINC000002582527 170230860 /nfs/dbraw/zinc/23/08/60/170230860.db2.gz SLOULWJJBJWFEQ-GFCCVEGCSA-N 0 3 237.299 2.038 50 0 BEAAHN CCOC(CNCc1ccccc1)OCC ZINC000000164289 170315690 /nfs/dbraw/zinc/31/56/90/170315690.db2.gz SXFVQTYQHWRYOS-UHFFFAOYSA-N 0 3 223.316 2.175 50 0 BEAAHN CC[C@@H]1CN(C[C@@H]2CCCCO2)CCS1 ZINC000078947908 171086091 /nfs/dbraw/zinc/08/60/91/171086091.db2.gz RUTUOWHRAKDCMR-NWDGAFQWSA-N 0 3 229.389 2.383 50 0 BEAAHN CC[C@@]1(c2ccc(N)cc2)NCCS1 ZINC000045068194 171215755 /nfs/dbraw/zinc/21/57/55/171215755.db2.gz CJVRJWLIESKDND-LLVKDONJSA-N 0 3 208.330 2.168 50 0 BEAAHN CC[C@@H](N)C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000037028318 171506906 /nfs/dbraw/zinc/50/69/06/171506906.db2.gz PNFCUPMXIZEYMX-OLZOCXBDSA-N 0 3 234.343 2.300 50 0 BEAAHN CCn1cnnc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000097237426 172236754 /nfs/dbraw/zinc/23/67/54/172236754.db2.gz QDSVUTKYFJQKOM-GRYCIOLGSA-N 0 3 236.363 2.212 50 0 BEAAHN CN(C(=O)Nc1ccccc1)C1CCN(C)CC1 ZINC000000319253 172987021 /nfs/dbraw/zinc/98/70/21/172987021.db2.gz UKLHESXRYNVCGI-UHFFFAOYSA-N 0 3 247.342 2.245 50 0 BEAAHN CN1CCCC[C@H]1COc1ccccc1N ZINC000002538743 173009898 /nfs/dbraw/zinc/00/98/98/173009898.db2.gz 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Cc1cccc(C)c1OC[C@H](O)CN1CCCC1 ZINC000000448335 179048294 /nfs/dbraw/zinc/04/82/94/179048294.db2.gz LARKSCDTOSTBGH-CQSZACIVSA-N 0 3 249.354 2.139 50 0 BEAAHN Cc1cccc(CN[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000037859975 179099859 /nfs/dbraw/zinc/09/98/59/179099859.db2.gz PAHDJDXUMQUQHA-GFCCVEGCSA-N 0 3 248.370 2.388 50 0 BEAAHN Cc1cccc(NC(=O)NC2CCN(C)CC2)c1 ZINC000006741220 179133190 /nfs/dbraw/zinc/13/31/90/179133190.db2.gz AHUFREAUENJGET-UHFFFAOYSA-N 0 3 247.342 2.211 50 0 BEAAHN Cc1ccccc1NC(=O)[C@@H]1CCCCN1 ZINC000019412138 179301936 /nfs/dbraw/zinc/30/19/36/179301936.db2.gz OLNKMMBYJBCFNF-LBPRGKRZSA-N 0 3 218.300 2.076 50 0 BEAAHN Cc1ccccc1OCCN(C)C[C@@H]1CCCO1 ZINC000020999329 179311422 /nfs/dbraw/zinc/31/14/22/179311422.db2.gz XPQYPDFXIRJEEU-AWEZNQCLSA-N 0 3 249.354 2.485 50 0 BEAAHN CCNCc1cncc(C(F)(F)F)c1 ZINC000725243994 537995757 /nfs/dbraw/zinc/99/57/57/537995757.db2.gz MSKGQLUIVVUJCG-UHFFFAOYSA-N 0 3 204.195 2.210 50 0 BEAAHN C[C@@H](C(=O)NC1CCCC1)N1CCCCCC1 ZINC000033040170 350439891 /nfs/dbraw/zinc/43/98/91/350439891.db2.gz ZVISZHOJWFELKD-LBPRGKRZSA-N 0 3 238.375 2.310 50 0 BEAAHN CCCCCC(=O)OCCN(CC)CC ZINC000083406738 168643749 /nfs/dbraw/zinc/64/37/49/168643749.db2.gz AEIJVYPRKAWFPN-UHFFFAOYSA-N 0 3 215.337 2.452 50 0 BEAAHN Cc1ccc(C(=O)[C@H](C)CN(C)C)s1 ZINC000005942791 351335812 /nfs/dbraw/zinc/33/58/12/351335812.db2.gz YAGDZAONGQOCTQ-MRVPVSSYSA-N 0 3 211.330 2.437 50 0 BEAAHN CC(C)Oc1ccc(F)c2c1CCNC2 ZINC000536953942 538102300 /nfs/dbraw/zinc/10/23/00/538102300.db2.gz IKRUFHQPBCDNBI-UHFFFAOYSA-N 0 3 209.264 2.259 50 0 BEAAHN O=c1oc2ccccc2n1CCN1CCCCC1 ZINC000001652411 188273801 /nfs/dbraw/zinc/27/38/01/188273801.db2.gz TXACIQGUKJSIDI-UHFFFAOYSA-N 0 3 246.310 2.080 50 0 BEAAHN C(CN1CCCCC1)SC1=NCCS1 ZINC000003160707 188275394 /nfs/dbraw/zinc/27/53/94/188275394.db2.gz HIYJVJQNGSGWJP-UHFFFAOYSA-N 0 3 230.402 2.308 50 0 BEAAHN Cc1nn(Cc2ccccc2)c(C)c1CN ZINC000004218563 188276841 /nfs/dbraw/zinc/27/68/41/188276841.db2.gz LVFJOKRQRQBQAZ-UHFFFAOYSA-N 0 3 215.300 2.007 50 0 BEAAHN COc1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000006145805 188337511 /nfs/dbraw/zinc/33/75/11/188337511.db2.gz SGUPGDYEMNTBMJ-GJZGRUSLSA-N 0 3 243.306 2.429 50 0 BEAAHN COC[C@H](C)NCc1cc(Cl)ccc1OC ZINC000035180117 355874339 /nfs/dbraw/zinc/87/43/39/355874339.db2.gz TVFDSYLPHGBJRP-VIFPVBQESA-N 0 3 243.734 2.473 50 0 BEAAHN CC(C)(C)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000012822165 355901274 /nfs/dbraw/zinc/90/12/74/355901274.db2.gz VSJLOEHFHQUUFW-UHFFFAOYSA-N 0 3 242.269 2.291 50 0 BEAAHN C[C@H](Cn1cccn1)NCc1ccsc1 ZINC000035272259 356466338 /nfs/dbraw/zinc/46/63/38/356466338.db2.gz ONSJTEVIOSIDMC-SNVBAGLBSA-N 0 3 221.329 2.123 50 0 BEAAHN Cn1cnc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000252536526 363634409 /nfs/dbraw/zinc/63/44/09/363634409.db2.gz IUQBEXLAQRMEDP-DGCLKSJQSA-N 0 3 219.332 2.185 50 0 BEAAHN Cc1ccsc1[C@H](C)NC[C@@H](C)[S@](C)=O ZINC000170062561 361386768 /nfs/dbraw/zinc/38/67/68/361386768.db2.gz FIGOVBXDXXRXPL-FTGAXOIBSA-N 0 3 245.413 2.474 50 0 BEAAHN N=C1Nc2nc3ccccc3n2C2(CCCC2)N1 ZINC000004622651 181337886 /nfs/dbraw/zinc/33/78/86/181337886.db2.gz PWTKLSWILOLQHF-UHFFFAOYSA-N 0 3 241.298 2.003 50 0 BEAAHN CCC[C@@H](NCC)C(=O)c1ccc2c(c1)OCO2 ZINC000199620417 368354375 /nfs/dbraw/zinc/35/43/75/368354375.db2.gz VERDHJIMZYXGIW-LLVKDONJSA-N 0 3 249.310 2.376 50 0 in-vitro BEAAHN Cc1ccc2c(c1)N(C(=O)[C@@H](N)C(C)(C)C)CC2 ZINC000154069179 368600466 /nfs/dbraw/zinc/60/04/66/368600466.db2.gz LLOZZNOTTHNZIJ-CYBMUJFWSA-N 0 3 246.354 2.258 50 0 BEAAHN Cc1cc(CN[C@@H]2CCSC2)cnc1C ZINC000584898320 369045294 /nfs/dbraw/zinc/04/52/94/369045294.db2.gz LPXLMWRVZZIIOU-GFCCVEGCSA-N 0 3 222.357 2.294 50 0 BEAAHN c1coc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000020536614 371292757 /nfs/dbraw/zinc/29/27/57/371292757.db2.gz OVDYXPQHDTUPJK-LLVKDONJSA-N 0 3 231.299 2.382 50 0 BEAAHN CC[C@@H](O)CN[C@H](C)c1cc(C)ccc1OC ZINC000096490819 371499625 /nfs/dbraw/zinc/49/96/25/371499625.db2.gz LRLAEVJOQRHNKF-VXGBXAGGSA-N 0 3 237.343 2.425 50 0 BEAAHN CC[C@@H](C)NCC(=O)Nc1cccc(C)c1 ZINC000003270630 371939703 /nfs/dbraw/zinc/93/97/03/371939703.db2.gz XRHQVVUGMMWYGW-LLVKDONJSA-N 0 3 220.316 2.322 50 0 BEAAHN CCCCCNCC(=O)N1CCc2ccccc21 ZINC000003328011 371958840 /nfs/dbraw/zinc/95/88/40/371958840.db2.gz KGYJZNBGAAAZGR-UHFFFAOYSA-N 0 3 246.354 2.356 50 0 BEAAHN O=C(CN1CCCCCC1)NCc1ccccc1 ZINC000002860666 181961061 /nfs/dbraw/zinc/96/10/61/181961061.db2.gz ATSBNUYSYDJOLM-UHFFFAOYSA-N 0 3 246.354 2.179 50 0 BEAAHN OC1CCN(CC2(c3ccc(F)cc3)CC2)CC1 ZINC000019837955 183028474 /nfs/dbraw/zinc/02/84/74/183028474.db2.gz MKIFQNJWCOJHHO-UHFFFAOYSA-N 0 3 249.329 2.314 50 0 BEAAHN OC[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000000753208 183115841 /nfs/dbraw/zinc/11/58/41/183115841.db2.gz YLRIGDFDEMCLEU-ZDUSSCGKSA-N 0 3 223.291 2.173 50 0 BEAAHN OC[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000000209244 183116764 /nfs/dbraw/zinc/11/67/64/183116764.db2.gz WFFMPRMTKDKYAZ-ZDUSSCGKSA-N 0 3 223.291 2.173 50 0 BEAAHN OC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000000210809 183118857 /nfs/dbraw/zinc/11/88/57/183118857.db2.gz UIVBGQQMIBCFET-GFCCVEGCSA-N 0 3 223.291 2.030 50 0 BEAAHN OC[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000091692692 183127854 /nfs/dbraw/zinc/12/78/54/183127854.db2.gz DMXXITLTOBWYSU-LBPRGKRZSA-N 0 3 241.281 2.136 50 0 BEAAHN O[C@H]1CCCC[C@@H]1N1CCc2sccc2C1 ZINC000037491172 183231373 /nfs/dbraw/zinc/23/13/73/183231373.db2.gz ALWUJNWBDWOKIF-RYUDHWBXSA-N 0 3 237.368 2.410 50 0 BEAAHN CCCN(C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000069092916 169086475 /nfs/dbraw/zinc/08/64/75/169086475.db2.gz CGMDTXAXCMNVNI-LBPRGKRZSA-N 0 3 234.343 2.033 50 0 BEAAHN O[C@H]1/C(=C/c2ccccc2)N2CCC1CC2 ZINC000012410254 183230799 /nfs/dbraw/zinc/23/07/99/183230799.db2.gz XCJLSGXSDDYLKZ-QLKUMGTLSA-N 0 3 215.296 2.114 50 0 BEAAHN CCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000073652815 169187797 /nfs/dbraw/zinc/18/77/97/169187797.db2.gz BTVAFJBKQKJSMA-UHFFFAOYSA-N 0 3 242.363 2.386 50 0 BEAAHN c1nn(-c2ccccc2)cc1CNC1CC1 ZINC000019088456 183386075 /nfs/dbraw/zinc/38/60/75/183386075.db2.gz CFSWGPKIUBEZAA-UHFFFAOYSA-N 0 3 213.284 2.124 50 0 BEAAHN c1ccc2c(c1)OC[C@H](CN1CCCCC1)O2 ZINC000000000631 383818044 /nfs/dbraw/zinc/81/80/44/383818044.db2.gz LYKMMUBOEFYJQG-LBPRGKRZSA-N 0 3 233.311 2.312 50 0 in-man BEAAHN COC[C@@H](C)NCc1ccc(C)c(C)c1 ZINC000034991606 383822538 /nfs/dbraw/zinc/82/25/38/383822538.db2.gz MHKNWWGENAQDRG-GFCCVEGCSA-N 0 3 207.317 2.428 50 0 BEAAHN CN(C)CCSc1nnc(-c2ccccc2)o1 ZINC000000386081 383861502 /nfs/dbraw/zinc/86/15/02/383861502.db2.gz YSGAMTVFIHHPJH-UHFFFAOYSA-N 0 3 249.339 2.390 50 0 BEAAHN N[C@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 ZINC000066444955 383864569 /nfs/dbraw/zinc/86/45/69/383864569.db2.gz CIXHTAFKIGIRDM-CBAPKCEASA-N 0 3 217.190 2.400 50 0 BEAAHN CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000035657571 383865207 /nfs/dbraw/zinc/86/52/07/383865207.db2.gz CDYBISOIWYTNHD-SECBINFHSA-N 0 3 242.116 2.492 50 0 BEAAHN Cc1ccc(C)c([C@@H]2CN[C@H](C)CO2)c1 ZINC000036986458 383922393 /nfs/dbraw/zinc/92/23/93/383922393.db2.gz UPQRMTDTWIYURA-YPMHNXCESA-N 0 3 205.301 2.353 50 0 BEAAHN CCCCN1c2ccccc2N2CCN=C12 ZINC000001763026 383935268 /nfs/dbraw/zinc/93/52/68/383935268.db2.gz UGZIYDPMSHKPPE-UHFFFAOYSA-N 0 3 215.300 2.483 50 0 BEAAHN FC[C@H]1CN(Cc2cccs2)CCCO1 ZINC000334636888 383925993 /nfs/dbraw/zinc/92/59/93/383925993.db2.gz GZVDVVRQRXCMRQ-JTQLQIEISA-N 0 3 229.320 2.309 50 0 BEAAHN CC[C@H](N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037002198 383926848 /nfs/dbraw/zinc/92/68/48/383926848.db2.gz QGTMAQOCPCVLBK-KCJUWKMLSA-N 0 3 240.372 2.279 50 0 BEAAHN CC(C)[C@@H](N)C(=O)Nc1cnc2ccccc2c1 ZINC000037020268 383932292 /nfs/dbraw/zinc/93/22/92/383932292.db2.gz YNNMTRPCFHUWPB-CYBMUJFWSA-N 0 3 243.310 2.157 50 0 BEAAHN CN[C@@H]1c2c(ccc3ccccc32)OC[C@@H]1CO ZINC000002388213 383962231 /nfs/dbraw/zinc/96/22/31/383962231.db2.gz AXSNSIOPEKUXAM-NHYWBVRUSA-N 0 3 243.306 2.101 50 0 BEAAHN NCc1ccccc1Oc1ccccn1 ZINC000002529096 383971679 /nfs/dbraw/zinc/97/16/79/383971679.db2.gz DMJWPOGKCPDYGZ-UHFFFAOYSA-N 0 3 200.241 2.333 50 0 BEAAHN CO[C@H]1CCC12CCN(Cc1cccnc1)CC2 ZINC000257182104 384020619 /nfs/dbraw/zinc/02/06/19/384020619.db2.gz OOKPJBUCCQNIHE-AWEZNQCLSA-N 0 3 246.354 2.473 50 0 BEAAHN NCc1cccc(Br)c1F ZINC000038846949 384094869 /nfs/dbraw/zinc/09/48/69/384094869.db2.gz BAFXXIVSWGQMMI-UHFFFAOYSA-N 0 3 204.042 2.047 50 0 BEAAHN CC[C@H](COC)NCc1ccc(F)cc1 ZINC000070623684 384124267 /nfs/dbraw/zinc/12/42/67/384124267.db2.gz QHYRPEFSPGOCIR-GFCCVEGCSA-N 0 3 211.280 2.340 50 0 BEAAHN CC[C@H](CO)NCc1ccccc1Cl ZINC000005651467 384125539 /nfs/dbraw/zinc/12/55/39/384125539.db2.gz OGFBATFFPAVFKT-SNVBAGLBSA-N 0 3 213.708 2.201 50 0 BEAAHN O=C1C[C@H]2CC[C@@H](C1)N2CC1CC(F)(F)C1 ZINC000336232655 384172906 /nfs/dbraw/zinc/17/29/06/384172906.db2.gz CPBJMUVAEJGYLS-AOOOYVTPSA-N 0 3 229.270 2.228 50 0 BEAAHN COC(=O)c1cccc(CN2CCCC2)c1 ZINC000042684376 384237514 /nfs/dbraw/zinc/23/75/14/384237514.db2.gz CIEZKBUYAMSZBS-UHFFFAOYSA-N 0 3 219.284 2.069 50 0 BEAAHN Fc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000061040703 384211930 /nfs/dbraw/zinc/21/19/30/384211930.db2.gz SQEFAEZTGBNQBS-UHFFFAOYSA-N 0 3 248.345 2.496 50 0 BEAAHN c1ccc2c(c1)CC[C@@]1(C2)NCCS1 ZINC000043827599 384304113 /nfs/dbraw/zinc/30/41/13/384304113.db2.gz VIZRDYJMUOJXHE-GFCCVEGCSA-N 0 3 205.326 2.208 50 0 BEAAHN CN(C)C[C@H](O)COc1cccc2ccccc21 ZINC000004951873 384293380 /nfs/dbraw/zinc/29/33/80/384293380.db2.gz NRIDRINPRIUAKP-ZDUSSCGKSA-N 0 3 245.322 2.141 50 0 BEAAHN C[C@]1(c2ccc(Cl)cc2)CNCCO1 ZINC000011803666 384297168 /nfs/dbraw/zinc/29/71/68/384297168.db2.gz IJDDASQRAPIORY-LLVKDONJSA-N 0 3 211.692 2.175 50 0 BEAAHN C[C@H](N[C@](C)(CO)C1CC1)c1ccco1 ZINC000097045732 384303115 /nfs/dbraw/zinc/30/31/15/384303115.db2.gz IEXVTNOINUVLHD-JOYOIKCWSA-N 0 3 209.289 2.091 50 0 BEAAHN Cc1n[nH]c(C)c1CN[C@@H]1CC[C@@H](F)C1 ZINC000309246181 384478150 /nfs/dbraw/zinc/47/81/50/384478150.db2.gz ZFHJJONZQRRWLJ-NXEZZACHSA-N 0 3 211.284 2.007 50 0 BEAAHN CCc1ccc(CN[C@@H](C)COC)cc1 ZINC000019904372 384552783 /nfs/dbraw/zinc/55/27/83/384552783.db2.gz FLOFDWLGTHSQHV-NSHDSACASA-N 0 3 207.317 2.374 50 0 BEAAHN CCc1ccc2nc(N3CCNCC3)sc2c1 ZINC000019946379 384558439 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CC(C)CNc1cc(CN(C)C)ccn1 ZINC000097236815 167015660 /nfs/dbraw/zinc/01/56/60/167015660.db2.gz VCHLVGRAAAPWFI-UHFFFAOYSA-N 0 3 207.321 2.211 50 0 BEAAHN CC(C)OP(=O)(OC(C)C)[C@@H](C)N ZINC000003121626 167280144 /nfs/dbraw/zinc/28/01/44/167280144.db2.gz GQXKFOOSIREUCB-QMMMGPOBSA-N 0 3 209.226 2.334 50 0 BEAAHN Brc1ccc([C@H]2CNCS2)cn1 ZINC000169725579 166099875 /nfs/dbraw/zinc/09/98/75/166099875.db2.gz KHVOZNYFRCPNHC-SSDOTTSWSA-N 0 3 245.145 2.179 50 0 BEAAHN Brc1cccc2c1CCNC2 ZINC000012956924 166100755 /nfs/dbraw/zinc/10/07/55/166100755.db2.gz IZCCDTQAIOPIGY-UHFFFAOYSA-N 0 3 212.090 2.095 50 0 BEAAHN Brc1cccc([C@H]2CNCCO2)c1 ZINC000020269162 166101167 /nfs/dbraw/zinc/10/11/67/166101167.db2.gz ZAFIQPSQXJOTKS-SNVBAGLBSA-N 0 3 242.116 2.110 50 0 BEAAHN CC(C)CN[C@@H](C)c1nnc2ccccn21 ZINC000035044275 167011437 /nfs/dbraw/zinc/01/14/37/167011437.db2.gz SRKNIEPTDPKYKJ-JTQLQIEISA-N 0 3 218.304 2.036 50 0 BEAAHN CC(C)NCc1cnn(-c2ccccc2)c1 ZINC000019880452 167121826 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BEAAHN N[C@H](CF)c1cccc(Br)c1 ZINC000020285894 342980568 /nfs/dbraw/zinc/98/05/68/342980568.db2.gz LQLVPMKRMRYDGN-MRVPVSSYSA-N 0 3 218.069 2.418 50 0 BEAAHN COC[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000023066179 343058210 /nfs/dbraw/zinc/05/82/10/343058210.db2.gz BJJLLHRPTHUESQ-VIFPVBQESA-N 0 3 219.206 2.352 50 0 BEAAHN Cc1cccc(C(=O)O[C@@H]2CN3CCC2CC3)c1 ZINC000005981579 343063971 /nfs/dbraw/zinc/06/39/71/343063971.db2.gz MSXTUZVYQPGHMP-CQSZACIVSA-N 0 3 245.322 2.246 50 0 BEAAHN CCOc1ccc2c(c1)N1CCCN=C1N2C ZINC000030822787 343207954 /nfs/dbraw/zinc/20/79/54/343207954.db2.gz FCJMZXQYJUOBOP-UHFFFAOYSA-N 0 3 231.299 2.101 50 0 BEAAHN OCCNCc1ccc(-c2ccccc2)cc1 ZINC000002178148 187245452 /nfs/dbraw/zinc/24/54/52/187245452.db2.gz JNFRBUVYSXYFAG-UHFFFAOYSA-N 0 3 227.307 2.436 50 0 BEAAHN Nc1cc(OCc2ccccc2)ccn1 ZINC000032151535 343230246 /nfs/dbraw/zinc/23/02/46/343230246.db2.gz RAFCWIXBEWVPGL-UHFFFAOYSA-N 0 3 200.241 2.243 50 0 BEAAHN CCC[C@H](N)C(=O)N(CC)Cc1ccccc1 ZINC000036873094 343325965 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225.332 2.016 50 0 BEAAHN CC(C)(CNCc1cc[nH]n1)c1ccccc1 ZINC000037934928 351376579 /nfs/dbraw/zinc/37/65/79/351376579.db2.gz AMWZSDZISQPFKF-UHFFFAOYSA-N 0 3 229.327 2.477 50 0 BEAAHN COc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000050267172 188045956 /nfs/dbraw/zinc/04/59/56/188045956.db2.gz NVORKNDNRBFYSE-ZDUSSCGKSA-N 0 3 233.311 2.478 50 0 BEAAHN CC1=C[C@@H](C)C(=O)N(CCN2CCCC2)C(C)=C1 ZINC000002039341 188269479 /nfs/dbraw/zinc/26/94/79/188269479.db2.gz SKXRMGYEBVAKTD-CYBMUJFWSA-N 0 3 248.370 2.411 50 0 BEAAHN CSc1ccc(CN2CCC(O)CC2)cc1 ZINC000000236437 188272712 /nfs/dbraw/zinc/27/27/12/188272712.db2.gz SARWGURAPCRUQT-UHFFFAOYSA-N 0 3 237.368 2.365 50 0 BEAAHN COc1ccc(CN2CCC[C@@H](O)C2)c(C)c1C ZINC000003684320 188276092 /nfs/dbraw/zinc/27/60/92/188276092.db2.gz VAHBTRUEGAZCTN-CQSZACIVSA-N 0 3 249.354 2.269 50 0 BEAAHN CC(C)=CCN(CCC(N)=O)Cc1ccccc1 ZINC000040477304 188292273 /nfs/dbraw/zinc/29/22/73/188292273.db2.gz LCSWOLHRUSXTNX-UHFFFAOYSA-N 0 3 246.354 2.330 50 0 BEAAHN Cc1cnc(C)c(Br)c1N ZINC000096029318 353640916 /nfs/dbraw/zinc/64/09/16/353640916.db2.gz LKGXJWUAMZCZKD-UHFFFAOYSA-N 0 3 201.067 2.043 50 0 BEAAHN Fc1cccc(F)c1CNCCN1CCCC1 ZINC000020126742 181000479 /nfs/dbraw/zinc/00/04/79/181000479.db2.gz TYMZZOFAAGMXSV-UHFFFAOYSA-N 0 3 240.297 2.150 50 0 BEAAHN N=c1sc(-c2ccccc2)c2n1CCN2 ZINC000004428929 181211877 /nfs/dbraw/zinc/21/18/77/181211877.db2.gz VXXOEWDKQAEBDF-UHFFFAOYSA-N 0 3 217.297 2.122 50 0 BEAAHN C[C@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000336098575 134080802 /nfs/dbraw/zinc/08/08/02/134080802.db2.gz YGJRLYZHOIDOLX-NSHDSACASA-N 0 3 232.327 2.093 50 0 BEAAHN NC(=O)[C@@H](NC[C@H]1CC=CCC1)c1ccccc1 ZINC000049283078 181265026 /nfs/dbraw/zinc/26/50/26/181265026.db2.gz JFKHXPUEBHNNOM-JSGCOSHPSA-N 0 3 244.338 2.159 50 0 BEAAHN C[C@@H](CN(C)C)OC(=O)c1ccc(Cl)cc1 ZINC000004776099 356362613 /nfs/dbraw/zinc/36/26/13/356362613.db2.gz UPQHNTIFPUVBHQ-VIFPVBQESA-N 0 3 241.718 2.447 50 0 BEAAHN COc1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1 ZINC000006145824 356426258 /nfs/dbraw/zinc/42/62/58/356426258.db2.gz SGUPGDYEMNTBMJ-HUUCEWRRSA-N 0 3 243.306 2.429 50 0 BEAAHN NC(=O)[C@H](c1ccccc1)N1CCCCCCC1 ZINC000012881299 181278593 /nfs/dbraw/zinc/27/85/93/181278593.db2.gz LRYVACGIHJTLSP-AWEZNQCLSA-N 0 3 246.354 2.479 50 0 BEAAHN NC(=O)[C@H](NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000049283084 181278892 /nfs/dbraw/zinc/27/88/92/181278892.db2.gz JFKHXPUEBHNNOM-TZMCWYRMSA-N 0 3 244.338 2.159 50 0 BEAAHN OCCN[C@H]1CCCSc2ccccc21 ZINC000089857778 538584933 /nfs/dbraw/zinc/58/49/33/538584933.db2.gz UYIRROMSBXEQBR-NSHDSACASA-N 0 3 223.341 2.196 50 0 BEAAHN C[C@H](CNc1nc2ccccc2o1)N(C)C ZINC000037985913 360043612 /nfs/dbraw/zinc/04/36/12/360043612.db2.gz DPUPPBGNKJVYEF-SECBINFHSA-N 0 3 219.288 2.190 50 0 BEAAHN NC(=O)c1cccc(CNCc2ccccc2)c1 ZINC000020038401 181303495 /nfs/dbraw/zinc/30/34/95/181303495.db2.gz WSQQGODLBAPEEV-UHFFFAOYSA-N 0 3 240.306 2.075 50 0 BEAAHN NC(=O)c1cccc(CN[C@@H]2CCC23CCC3)c1 ZINC000241316779 181303699 /nfs/dbraw/zinc/30/36/99/181303699.db2.gz LUVKSKSOYARABI-CYBMUJFWSA-N 0 3 244.338 2.208 50 0 BEAAHN N=C1NC[C@@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000000000318 181338692 /nfs/dbraw/zinc/33/86/92/181338692.db2.gz NMGYDYBWRZHLHR-QMMMGPOBSA-N 0 3 230.189 2.091 50 0 in-man BEAAHN Cn1c2ccccc2nc1CNCC1CC1 ZINC000036884435 361576498 /nfs/dbraw/zinc/57/64/98/361576498.db2.gz QATVBCYDUJBVNP-UHFFFAOYSA-N 0 3 215.300 2.073 50 0 BEAAHN NCc1ccnc(Oc2ccccc2F)c1 ZINC000022210826 181490707 /nfs/dbraw/zinc/49/07/07/181490707.db2.gz AAEIPMVEMPNDNA-UHFFFAOYSA-N 0 3 218.231 2.472 50 0 BEAAHN C[C@@H](NCc1ccco1)[C@@H](O)c1ccccc1 ZINC000019872286 371196489 /nfs/dbraw/zinc/19/64/89/371196489.db2.gz MUJKBFXRGFRWQR-BXUZGUMPSA-N 0 3 231.295 2.491 50 0 BEAAHN N[C@@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC000037597705 181591828 /nfs/dbraw/zinc/59/18/28/181591828.db2.gz MMCIPVIZAJIRKM-MRVPVSSYSA-N 0 3 217.190 2.488 50 0 BEAAHN CC[C@@H](O)CN[C@H](C)c1cccc(F)c1F ZINC000095986037 371370557 /nfs/dbraw/zinc/37/05/57/371370557.db2.gz NNLSXCAFNJPZRG-RKDXNWHRSA-N 0 3 229.270 2.386 50 0 BEAAHN O[C@@H]1CCCC[C@H]1N1CCc2sccc2C1 ZINC000216478563 371757383 /nfs/dbraw/zinc/75/73/83/371757383.db2.gz ALWUJNWBDWOKIF-VXGBXAGGSA-N 0 3 237.368 2.410 50 0 BEAAHN CC(C)N(C[C@H](O)C(F)(F)F)C(C)C ZINC000004050531 372125254 /nfs/dbraw/zinc/12/52/54/372125254.db2.gz JRYKIVPIIVAGDW-QMMMGPOBSA-N 0 3 213.243 2.028 50 0 BEAAHN O=C(CNCC1CC1)Nc1cccc(Cl)c1 ZINC000020037585 181978415 /nfs/dbraw/zinc/97/84/15/181978415.db2.gz AQKGJLYYOOAYPG-UHFFFAOYSA-N 0 3 238.718 2.278 50 0 BEAAHN CCN(C/C=C/c1ccccc1)CCO ZINC000009720783 374230149 /nfs/dbraw/zinc/23/01/49/374230149.db2.gz GATXSOYQSSTFAV-RMKNXTFCSA-N 0 3 205.301 2.014 50 0 BEAAHN OCC1(NCc2ccc(F)c(Cl)c2)CCC1 ZINC000160169381 183038414 /nfs/dbraw/zinc/03/84/14/183038414.db2.gz LBWNGQJJXZHCMA-UHFFFAOYSA-N 0 3 243.709 2.484 50 0 BEAAHN OCCN(Cc1ccccn1)C1CCCCC1 ZINC000050106442 183070779 /nfs/dbraw/zinc/07/07/79/183070779.db2.gz MFVGEDHLPRKKBY-UHFFFAOYSA-N 0 3 234.343 2.209 50 0 BEAAHN OC[C@@H](Cc1ccccc1)NCc1ccsc1 ZINC000063218136 183106742 /nfs/dbraw/zinc/10/67/42/183106742.db2.gz MEEGFSUQEXBWLK-CQSZACIVSA-N 0 3 247.363 2.441 50 0 BEAAHN OC[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000000759086 183150237 /nfs/dbraw/zinc/15/02/37/183150237.db2.gz FPVOWHGMYGCDHV-GFCCVEGCSA-N 0 3 225.719 2.297 50 0 BEAAHN OCc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000525794 183166103 /nfs/dbraw/zinc/16/61/03/183166103.db2.gz FUAJLBSACXGZLD-CYBMUJFWSA-N 0 3 242.322 2.114 50 0 biogenic BEAAHN O[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000003684246 183192286 /nfs/dbraw/zinc/19/22/86/183192286.db2.gz VWPCDDTXLWVHRD-GFCCVEGCSA-N 0 3 230.311 2.125 50 0 BEAAHN O[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000023281704 183192464 /nfs/dbraw/zinc/19/24/64/183192464.db2.gz WPIBOOQKAPNPGU-YOIVXCQUSA-N 0 3 217.312 2.157 50 0 BEAAHN O[C@H](CNCc1ccco1)c1ccccc1 ZINC000019735255 183224411 /nfs/dbraw/zinc/22/44/11/183224411.db2.gz XKADTNMYSKOWTF-CYBMUJFWSA-N 0 3 217.268 2.103 50 0 BEAAHN O[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000000757371 183233382 /nfs/dbraw/zinc/23/33/82/183233382.db2.gz WPIBOOQKAPNPGU-PXYYCUNGSA-N 0 3 217.312 2.157 50 0 BEAAHN CCCN(CCC)c1ncccc1CN ZINC000022223359 169153830 /nfs/dbraw/zinc/15/38/30/169153830.db2.gz MMYQJYXBVRUVDC-UHFFFAOYSA-N 0 3 207.321 2.167 50 0 BEAAHN c1ncc(CN2CCC(c3ccncc3)CC2)[nH]1 ZINC000193387999 183337232 /nfs/dbraw/zinc/33/72/32/183337232.db2.gz IODQBLGETCDOPM-UHFFFAOYSA-N 0 3 242.326 2.184 50 0 BEAAHN CCCN[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000261668079 169285372 /nfs/dbraw/zinc/28/53/72/169285372.db2.gz CNKFKXDZGBSWQV-SNVBAGLBSA-N 0 3 248.326 2.216 50 0 BEAAHN CCCNCc1cc(OC)ccc1OC ZINC000019433392 169266916 /nfs/dbraw/zinc/26/69/16/169266916.db2.gz BWEALHPTUWORBK-UHFFFAOYSA-N 0 3 209.289 2.203 50 0 BEAAHN c1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000242750291 183397541 /nfs/dbraw/zinc/39/75/41/183397541.db2.gz ZKGKJSFHHJHLTP-UHFFFAOYSA-N 0 3 247.338 2.416 50 0 BEAAHN CCC[C@@H](N)C(=O)N(CC)Cc1ccccc1C ZINC000036873429 169386832 /nfs/dbraw/zinc/38/68/32/169386832.db2.gz NKHBLTCSYSXRQX-CQSZACIVSA-N 0 3 248.370 2.471 50 0 BEAAHN c1coc([C@H]2OC[C@H](CN3CCCCC3)O2)c1 ZINC000000171860 183512677 /nfs/dbraw/zinc/51/26/77/183512677.db2.gz DRCIKSUDUYWKBV-AAEUAGOBSA-N 0 3 237.299 2.180 50 0 BEAAHN CC(C)CCN[C@H](C)c1nnc2ccccn21 ZINC000035044256 383825528 /nfs/dbraw/zinc/82/55/28/383825528.db2.gz BLDBRIXGTZMTMN-LLVKDONJSA-N 0 3 232.331 2.426 50 0 BEAAHN CN(C[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000000167454 383839095 /nfs/dbraw/zinc/83/90/95/383839095.db2.gz NKYCUDIAVZBMPB-VIFPVBQESA-N 0 3 225.254 2.174 50 0 BEAAHN COC[C@@H](C)NCc1ccc(C)cc1C ZINC000000183599 383840680 /nfs/dbraw/zinc/84/06/80/383840680.db2.gz AAAFNFZYVYYALD-GFCCVEGCSA-N 0 3 207.317 2.428 50 0 BEAAHN COC(=O)c1ccc(CN2CCCC2)cc1 ZINC000000213438 383844832 /nfs/dbraw/zinc/84/48/32/383844832.db2.gz HWBHHIBLFOMXJM-UHFFFAOYSA-N 0 3 219.284 2.069 50 0 BEAAHN CN[C@H]1COC(C)(C)O[C@H]1c1ccccc1 ZINC000000388618 383860702 /nfs/dbraw/zinc/86/07/02/383860702.db2.gz OLDLOVICBLVDFQ-RYUDHWBXSA-N 0 3 221.300 2.099 50 0 BEAAHN CN(C)CCC(=O)c1c[nH]c2ccccc12 ZINC000000394024 383863523 /nfs/dbraw/zinc/86/35/23/383863523.db2.gz LAHVNBMMXFLOQD-UHFFFAOYSA-N 0 3 216.284 2.302 50 0 BEAAHN Cc1cccn2c(CN3CCCC3)cnc12 ZINC000095961913 383829527 /nfs/dbraw/zinc/82/95/27/383829527.db2.gz GFZOVKULDGYMCV-UHFFFAOYSA-N 0 3 215.300 2.239 50 0 BEAAHN CN(C)CCS[C@H](CO)c1ccccc1 ZINC000001700382 383925075 /nfs/dbraw/zinc/92/50/75/383925075.db2.gz CRZLTMRCYQCJDO-GFCCVEGCSA-N 0 3 225.357 2.015 50 0 BEAAHN C[C@H](NC1=NCCS1)c1ccccc1 ZINC000003239378 384002119 /nfs/dbraw/zinc/00/21/19/384002119.db2.gz JXFZUEXOEBPBHP-VIFPVBQESA-N 0 3 206.314 2.440 50 0 BEAAHN CO[C@@H]1CCC12CCN(Cc1cccnc1)CC2 ZINC000257182106 384019491 /nfs/dbraw/zinc/01/94/91/384019491.db2.gz OOKPJBUCCQNIHE-CQSZACIVSA-N 0 3 246.354 2.473 50 0 BEAAHN FC(F)(F)c1cccc([C@@H]2CNCCO2)c1 ZINC000004626645 384073112 /nfs/dbraw/zinc/07/31/12/384073112.db2.gz GXPYCYWPUGKQIJ-JTQLQIEISA-N 0 3 231.217 2.366 50 0 in-man BEAAHN NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000038340190 384080197 /nfs/dbraw/zinc/08/01/97/384080197.db2.gz NFMPRFYCRUFTNS-LBPRGKRZSA-N 0 3 224.735 2.436 50 0 BEAAHN O=C1C[C@@H](c2ccccc2)NCCCCCCN1 ZINC000257192031 384122594 /nfs/dbraw/zinc/12/25/94/384122594.db2.gz QEPQVPBBXKMHAU-AWEZNQCLSA-N 0 3 246.354 2.398 50 0 BEAAHN NCc1cc(F)ccc1OC(F)(F)F ZINC000071867293 384183768 /nfs/dbraw/zinc/18/37/68/384183768.db2.gz FPZXDOJFLLZXCM-UHFFFAOYSA-N 0 3 209.142 2.183 50 0 BEAAHN CC(C)(C)OC(=O)N1CCN[C@H]2CCCC[C@H]21 ZINC000072210184 384199515 /nfs/dbraw/zinc/19/95/15/384199515.db2.gz URXTVALAEXFDQW-WDEREUQCSA-N 0 3 240.347 2.138 50 0 BEAAHN CC[C@@H](O)CN[C@@H](CC)c1c(C)noc1C ZINC000097111146 384374382 /nfs/dbraw/zinc/37/43/82/384374382.db2.gz XNXMDSWRPCKSAC-MNOVXSKESA-N 0 3 226.320 2.103 50 0 BEAAHN CC[C@@H](NCC1OCCO1)c1cccs1 ZINC000097110494 384372089 /nfs/dbraw/zinc/37/20/89/384372089.db2.gz MTQCIPYNPKJRCN-SECBINFHSA-N 0 3 227.329 2.162 50 0 BEAAHN CC(C)c1nsc(SCCN(C)C)n1 ZINC000092675616 384411299 /nfs/dbraw/zinc/41/12/99/384411299.db2.gz MKSARJSXYCHQSJ-UHFFFAOYSA-N 0 3 231.390 2.315 50 0 BEAAHN N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000095636606 384384931 /nfs/dbraw/zinc/38/49/31/384384931.db2.gz CIEHRJIQZOVKEV-QMMMGPOBSA-N 0 3 239.624 2.351 50 0 BEAAHN C[C@@H]1NCCO[C@H]1c1cccc(Cl)c1 ZINC000037405040 384462607 /nfs/dbraw/zinc/46/26/07/384462607.db2.gz BOFUZZAQNVYZFF-GZMMTYOYSA-N 0 3 211.692 2.389 50 0 BEAAHN CN(C)CCNC(=O)c1csc2ccccc12 ZINC000016604042 384462997 /nfs/dbraw/zinc/46/29/97/384462997.db2.gz LCELKYNLCHTVTN-UHFFFAOYSA-N 0 3 248.351 2.193 50 0 BEAAHN Cc1n[nH]c(C)c1CN[C@H]1CC[C@@H](F)C1 ZINC000309246184 384479580 /nfs/dbraw/zinc/47/95/80/384479580.db2.gz ZFHJJONZQRRWLJ-ZJUUUORDSA-N 0 3 211.284 2.007 50 0 BEAAHN CCC[C@H](C)NCc1nnc2ccccn21 ZINC000020185638 384588962 /nfs/dbraw/zinc/58/89/62/384588962.db2.gz STZIPPYAKJFVQV-JTQLQIEISA-N 0 3 218.304 2.008 50 0 BEAAHN NCc1ccc(OC2CCCCC2)nc1 ZINC000020357692 384613361 /nfs/dbraw/zinc/61/33/61/384613361.db2.gz KBEXCOQBYDIUNO-UHFFFAOYSA-N 0 3 206.289 2.252 50 0 BEAAHN C[C@@H](N)c1cccc2c1OC(F)(F)O2 ZINC000082912764 384726663 /nfs/dbraw/zinc/72/66/63/384726663.db2.gz CBTSTJVNWKVHDE-RXMQYKEDSA-N 0 3 201.172 2.028 50 0 BEAAHN NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000021959386 384709028 /nfs/dbraw/zinc/70/90/28/384709028.db2.gz XGIXEORXPRJHOC-UHFFFAOYSA-N 0 3 226.279 2.398 50 0 BEAAHN CN(C)CCNC(=O)CCC1CCCCC1 ZINC000003001025 384712915 /nfs/dbraw/zinc/71/29/15/384712915.db2.gz UNWPTZNTUNMDSM-UHFFFAOYSA-N 0 3 226.364 2.025 50 0 BEAAHN C[C@@H](NC1CC1)c1ccc2c(c1)OCO2 ZINC000022150584 384740289 /nfs/dbraw/zinc/74/02/89/384740289.db2.gz OIKYYMBMHBZDPH-MRVPVSSYSA-N 0 3 205.257 2.228 50 0 BEAAHN NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000022175826 384741768 /nfs/dbraw/zinc/74/17/68/384741768.db2.gz QCGXUXWSVUQIIM-UHFFFAOYSA-N 0 3 218.231 2.472 50 0 BEAAHN CN(C)CCNc1nc2c(cccc2F)s1 ZINC000026424018 384872905 /nfs/dbraw/zinc/87/29/05/384872905.db2.gz NJHWLHVKPRMIJF-UHFFFAOYSA-N 0 3 239.319 2.409 50 0 BEAAHN CCN(C)C(=O)[C@@H](C)NC[C@@H](C)c1ccccc1 ZINC000188492535 385035378 /nfs/dbraw/zinc/03/53/78/385035378.db2.gz FBTPPHFJGRWIMV-CHWSQXEVSA-N 0 3 248.370 2.247 50 0 BEAAHN Cn1cc([C@@H](N)c2ccc(F)c(Cl)c2)cn1 ZINC000062792198 385187621 /nfs/dbraw/zinc/18/76/21/385187621.db2.gz QWAPKTKNAAUWQX-NSHDSACASA-N 0 3 239.681 2.261 50 0 BEAAHN CCC[C@@H](NCCO)c1ccc(F)cc1F ZINC000096492307 385230505 /nfs/dbraw/zinc/23/05/05/385230505.db2.gz ADFYCVSTNQRYAD-GFCCVEGCSA-N 0 3 229.270 2.388 50 0 BEAAHN O=C1C[C@H](c2ccccc2)NCCCCCN1 ZINC000257177815 385246236 /nfs/dbraw/zinc/24/62/36/385246236.db2.gz FIXAPWNRQSTEKQ-CYBMUJFWSA-N 0 3 232.327 2.008 50 0 BEAAHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCSC2)n1 ZINC000098018519 385359055 /nfs/dbraw/zinc/35/90/55/385359055.db2.gz RLDMBGUYOJELSQ-SNVBAGLBSA-N 0 3 238.356 2.081 50 0 BEAAHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC000040461887 387041097 /nfs/dbraw/zinc/04/10/97/387041097.db2.gz XIWXSTYIXLKPMH-CYBMUJFWSA-N 0 3 246.354 2.209 50 0 BEAAHN Cc1nc(C)c(C)c(SCCN(C)C)n1 ZINC000089547969 387308811 /nfs/dbraw/zinc/30/88/11/387308811.db2.gz KFEWSQDIXVIVRM-UHFFFAOYSA-N 0 3 225.361 2.056 50 0 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HSRGJVOEQOMLFN-LLVKDONJSA-N 0 3 231.299 2.143 50 0 BEAAHN CC(C)CCCN[C@@H](C(N)=O)c1ccccc1 ZINC000032808973 384384749 /nfs/dbraw/zinc/38/47/49/384384749.db2.gz RQEJDCRBRNRNGL-CYBMUJFWSA-N 0 3 234.343 2.239 50 0 BEAAHN CC(C)[C@H]1OCC[C@@H]1CNCc1cscn1 ZINC000097165758 384389554 /nfs/dbraw/zinc/38/95/54/384389554.db2.gz XFXDASATPMNGLI-ZYHUDNBSSA-N 0 3 240.372 2.294 50 0 BEAAHN Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](C)N)c1 ZINC000157437466 384463420 /nfs/dbraw/zinc/46/34/20/384463420.db2.gz GQYGDSBYCKWBAW-GXTWGEPZSA-N 0 3 246.354 2.314 50 0 BEAAHN CC(C)(C)Sc1ccc(C(=N)N)nc1 ZINC000079112069 384484880 /nfs/dbraw/zinc/48/48/80/384484880.db2.gz VJJWVNKQYMEHBX-UHFFFAOYSA-N 0 3 209.318 2.256 50 0 BEAAHN CC[C@](C)(CO)CNCc1cc(F)cc(F)c1 ZINC000097021711 384500205 /nfs/dbraw/zinc/50/02/05/384500205.db2.gz SXIHLTBBCCNHDD-ZDUSSCGKSA-N 0 3 243.297 2.463 50 0 BEAAHN CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000048368200 384486730 /nfs/dbraw/zinc/48/67/30/384486730.db2.gz ZAWZAZYKSWXFAS-ZDUSSCGKSA-N 0 3 223.291 2.437 50 0 BEAAHN NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000019722459 384535312 /nfs/dbraw/zinc/53/53/12/384535312.db2.gz CDCMVXMFWZFHKW-UHFFFAOYSA-N 0 3 226.279 2.398 50 0 BEAAHN CN(C)CCN(C)Cc1ccccc1Cl ZINC000019606560 384528005 /nfs/dbraw/zinc/52/80/05/384528005.db2.gz IXWZUGUHKGBPKU-UHFFFAOYSA-N 0 3 226.751 2.333 50 0 BEAAHN CCN(CCN(C)C)Cc1ccc(F)cc1 ZINC000019609136 384528071 /nfs/dbraw/zinc/52/80/71/384528071.db2.gz BNDXCQQNCJAQFQ-UHFFFAOYSA-N 0 3 224.323 2.209 50 0 BEAAHN CN(C)CCNc1cccc(Br)c1 ZINC000020051817 384571973 /nfs/dbraw/zinc/57/19/73/384571973.db2.gz NTMUDWQRSUZEMP-UHFFFAOYSA-N 0 3 243.148 2.423 50 0 BEAAHN CCN(CCn1cccn1)Cc1ccccc1 ZINC000049982686 384583521 /nfs/dbraw/zinc/58/35/21/384583521.db2.gz MJRXARYOQNUGCS-UHFFFAOYSA-N 0 3 229.327 2.405 50 0 BEAAHN Cc1noc(C)c1CNCC1(O)CCCCC1 ZINC000109463995 384598229 /nfs/dbraw/zinc/59/82/29/384598229.db2.gz XPPGHKWZDVYRID-UHFFFAOYSA-N 0 3 238.331 2.076 50 0 BEAAHN CCOCCNCc1ccc(F)c(C)c1 ZINC000050545101 384632298 /nfs/dbraw/zinc/63/22/98/384632298.db2.gz PDVMCJXHDRQNOY-UHFFFAOYSA-N 0 3 211.280 2.260 50 0 BEAAHN NCc1cc(Oc2cccc(F)c2)ccn1 ZINC000051549764 384671911 /nfs/dbraw/zinc/67/19/11/384671911.db2.gz IZXARGJXHMWFFM-UHFFFAOYSA-N 0 3 218.231 2.472 50 0 BEAAHN CCN(CC)CC(=O)N[C@@H](C)CCC(C)C ZINC000061757494 384756747 /nfs/dbraw/zinc/75/67/47/384756747.db2.gz IDAXKZWZMLTBGU-LBPRGKRZSA-N 0 3 228.380 2.269 50 0 BEAAHN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H](C)N)cc1 ZINC000083932810 384757438 /nfs/dbraw/zinc/75/74/38/384757438.db2.gz NJTBRWLUZYBECQ-GFCCVEGCSA-N 0 3 248.370 2.078 50 0 BEAAHN CNCc1oc(-c2ccccc2)nc1C ZINC000026340297 384872500 /nfs/dbraw/zinc/87/25/00/384872500.db2.gz XCBYKJIAOCVNGY-UHFFFAOYSA-N 0 3 202.257 2.369 50 0 BEAAHN c1cnc2c(c1)cccc2CSC1=NCCN1 ZINC000014245795 384850179 /nfs/dbraw/zinc/85/01/79/384850179.db2.gz GWWJQSQTVDQMEJ-UHFFFAOYSA-N 0 3 243.335 2.427 50 0 BEAAHN CCc1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000016310317 384995864 /nfs/dbraw/zinc/99/58/64/384995864.db2.gz VETBTEYABCXLTH-AWEZNQCLSA-N 0 3 219.328 2.206 50 0 BEAAHN CCN(C)C(=O)[C@H](C)NC[C@H](C)c1ccccc1 ZINC000188492582 385036653 /nfs/dbraw/zinc/03/66/53/385036653.db2.gz FBTPPHFJGRWIMV-STQMWFEESA-N 0 3 248.370 2.247 50 0 BEAAHN c1ccc2c(c1)cccc2COC1CNC1 ZINC000062809883 385191431 /nfs/dbraw/zinc/19/14/31/385191431.db2.gz UAXOQORTZLHHQG-UHFFFAOYSA-N 0 3 213.280 2.328 50 0 BEAAHN CC(C)Cn1cncc1CN[C@@H]1CCSC1 ZINC000065381342 385304193 /nfs/dbraw/zinc/30/41/93/385304193.db2.gz VBQTUAZINHKQTG-LLVKDONJSA-N 0 3 239.388 2.134 50 0 BEAAHN COc1cc(OC)cc(-c2cnccc2N)c1 ZINC000065429805 385308988 /nfs/dbraw/zinc/30/89/88/385308988.db2.gz YQHXYCCTHXBOIR-UHFFFAOYSA-N 0 3 230.267 2.348 50 0 BEAAHN C[C@@H]1C[C@@H]1NCc1cc2ccccc2[nH]c1=O ZINC000052272068 385716950 /nfs/dbraw/zinc/71/69/50/385716950.db2.gz BVQQDSVKWBOVNH-RNCFNFMXSA-N 0 3 228.295 2.438 50 0 BEAAHN CCOc1ccc(CN2CCC(O)CC2)cc1 ZINC000000042939 386333584 /nfs/dbraw/zinc/33/35/84/386333584.db2.gz YPJJVSQNQYUVIH-UHFFFAOYSA-N 0 3 235.327 2.042 50 0 BEAAHN C[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000074707317 387019933 /nfs/dbraw/zinc/01/99/33/387019933.db2.gz AHNXAAZQEXAZBZ-LBPRGKRZSA-N 0 3 246.354 2.206 50 0 BEAAHN CCN(CCO)CCOc1ccc(Cl)cc1 ZINC000049754463 387020972 /nfs/dbraw/zinc/02/09/72/387020972.db2.gz PRSPBOHUBAGZHW-UHFFFAOYSA-N 0 3 243.734 2.033 50 0 BEAAHN Cc1cnn(CCNCc2sccc2C)c1 ZINC000053534743 387174459 /nfs/dbraw/zinc/17/44/59/387174459.db2.gz WVCMEDLGABBBNG-UHFFFAOYSA-N 0 3 235.356 2.351 50 0 BEAAHN CC[C@@H](COC)N[C@H](C)c1cccc(O)c1 ZINC000070624103 388114988 /nfs/dbraw/zinc/11/49/88/388114988.db2.gz APXZVVKEUNQPTN-PWSUYJOCSA-N 0 3 223.316 2.468 50 0 BEAAHN C[C@H](NCCn1cccn1)c1cccc(F)c1 ZINC000042538968 388095990 /nfs/dbraw/zinc/09/59/90/388095990.db2.gz GSXDVPRURKKHAQ-NSHDSACASA-N 0 3 233.290 2.373 50 0 BEAAHN C[C@H](C1CC1)N(C)CC(=O)N1CCCCCC1 ZINC000071836712 388446214 /nfs/dbraw/zinc/44/62/14/388446214.db2.gz UUVRIJBBUAPFMH-GFCCVEGCSA-N 0 3 238.375 2.119 50 0 BEAAHN CC[N@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000069416824 388415870 /nfs/dbraw/zinc/41/58/70/388415870.db2.gz ZNJGNOFZLYANPJ-UHFFFAOYSA-N 0 3 247.294 2.259 50 0 BEAAHN CC[N@@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000069416824 388415872 /nfs/dbraw/zinc/41/58/72/388415872.db2.gz ZNJGNOFZLYANPJ-UHFFFAOYSA-N 0 3 247.294 2.259 50 0 BEAAHN Cc1cnn([C@H](C)[C@H](C)NCc2ccncc2)c1 ZINC000069453452 388417180 /nfs/dbraw/zinc/41/71/80/388417180.db2.gz XPQZZFUTIBSXCA-QWHCGFSZSA-N 0 3 244.342 2.326 50 0 BEAAHN Cc1cc(CN)cc(NC(=O)[C@@H](C)C2CC2)c1 ZINC000322414557 388597252 /nfs/dbraw/zinc/59/72/52/388597252.db2.gz APVKQFSZQZJCQZ-JTQLQIEISA-N 0 3 232.327 2.438 50 0 BEAAHN Clc1ccc2c(c1)nccc2N1CCNCC1 ZINC000000171526 132312796 /nfs/dbraw/zinc/31/27/96/132312796.db2.gz DNXNPMDUDGUXOB-UHFFFAOYSA-N 0 3 247.729 2.298 50 0 BEAAHN Clc1cccc(N2CCNCC2)c1Cl ZINC000000386729 132313541 /nfs/dbraw/zinc/31/35/41/132313541.db2.gz UDQMXYJSNNCRAS-UHFFFAOYSA-N 0 3 231.126 2.403 50 0 in-vitro BEAAHN Cc1c(Cl)cccc1N1CCNCC1 ZINC000003716187 132315746 /nfs/dbraw/zinc/31/57/46/132315746.db2.gz XSWFFTOMNHATMS-UHFFFAOYSA-N 0 3 210.708 2.058 50 0 BEAAHN CCC[C@H](N)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000170046862 397965886 /nfs/dbraw/zinc/96/58/86/397965886.db2.gz GXWNKROUUOREDS-SRVKXCTJSA-N 0 3 240.391 2.445 50 0 BEAAHN Cc1n[nH]c(C)c1[C@@H](N)c1ccccc1 ZINC000004384222 397924480 /nfs/dbraw/zinc/92/44/80/397924480.db2.gz CGCLUEUNHMVTPB-LBPRGKRZSA-N 0 3 201.273 2.075 50 0 BEAAHN Cc1cc([C@H]2CCCN2C[C@H]2CCCN2C)on1 ZINC000585117096 487580291 /nfs/dbraw/zinc/58/02/91/487580291.db2.gz QPJLTZZVPLCGLA-CHWSQXEVSA-N 0 3 249.358 2.214 50 0 BEAAHN CC(C)OCCN[C@@H](C)c1cncc(F)c1 ZINC000097084106 167244045 /nfs/dbraw/zinc/24/40/45/167244045.db2.gz QCSJEYCTWUKSBN-JTQLQIEISA-N 0 3 226.295 2.296 50 0 BEAAHN C(=C\c1ccccc1)\CNC[C@@H]1CCCO1 ZINC000033936183 166228654 /nfs/dbraw/zinc/22/86/54/166228654.db2.gz GCEKGRFKIOBVDD-VCDPDADVSA-N 0 3 217.312 2.468 50 0 BEAAHN CC(C)[C@@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000036968999 167383432 /nfs/dbraw/zinc/38/34/32/167383432.db2.gz NEFNANGNQCAHHR-MNOVXSKESA-N 0 3 232.331 2.424 50 0 BEAAHN Cc1n[nH]cc1CN[C@@H](C)C(C)(C)C(F)F ZINC000657920564 411167744 /nfs/dbraw/zinc/16/77/44/411167744.db2.gz HSOXBVMESDTTHA-QMMMGPOBSA-N 0 3 231.290 2.488 50 0 BEAAHN CC1=CCC[C@H](C)[C@H]1CN1CCOCC1 ZINC000097164465 168103506 /nfs/dbraw/zinc/10/35/06/168103506.db2.gz DDVTUKKNNUWHBI-STQMWFEESA-N 0 3 209.333 2.311 50 0 BEAAHN CC1=CCC[C@H](C)[C@H]1CNCc1cc[nH]n1 ZINC000187222079 168104951 /nfs/dbraw/zinc/10/49/51/168104951.db2.gz FDVVAKDQXBBKDL-AAEUAGOBSA-N 0 3 219.332 2.492 50 0 BEAAHN CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000019477038 168172669 /nfs/dbraw/zinc/17/26/69/168172669.db2.gz SOSVVNGFPXKABB-AWEZNQCLSA-N 0 3 246.354 2.335 50 0 BEAAHN CCN1C[C@H](C)N(CCOCC(C)C)C[C@@H]1C ZINC000330032659 170033467 /nfs/dbraw/zinc/03/34/67/170033467.db2.gz QJWPVOFOEUMKHM-KBPBESRZSA-N 0 3 242.407 2.074 50 0 BEAAHN CCNC1=NC[C@@H](c2ccccc2)S1 ZINC000035294247 170108485 /nfs/dbraw/zinc/10/84/85/170108485.db2.gz AZVKLDRVBYAHKB-JTQLQIEISA-N 0 3 206.314 2.440 50 0 BEAAHN CCNCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000050479026 170124129 /nfs/dbraw/zinc/12/41/29/170124129.db2.gz BMTCFWMIPICFAB-UHFFFAOYSA-N 0 3 219.263 2.325 50 0 BEAAHN CCOC(=O)CCNCc1ccc(C)c(F)c1 ZINC000070160268 170209427 /nfs/dbraw/zinc/20/94/27/170209427.db2.gz RIVDUSOFOVMLTN-UHFFFAOYSA-N 0 3 239.290 2.177 50 0 BEAAHN CCOC(=O)C[C@@H](N)c1cc(C)ccc1C ZINC000002582545 170231292 /nfs/dbraw/zinc/23/12/92/170231292.db2.gz OJDPWOSNNYSJOA-GFCCVEGCSA-N 0 3 221.300 2.256 50 0 BEAAHN CCOCC1CCN(Cc2cccn2C)CC1 ZINC000093394478 170356834 /nfs/dbraw/zinc/35/68/34/170356834.db2.gz RTUBXXIQDAVAFQ-UHFFFAOYSA-N 0 3 236.359 2.274 50 0 BEAAHN CCOCCCN[C@@H](C)c1ccccn1 ZINC000004245207 170381509 /nfs/dbraw/zinc/38/15/09/170381509.db2.gz ZOGYYTCOGROGAE-NSHDSACASA-N 0 3 208.305 2.159 50 0 BEAAHN CC[C@@H]1CN(CC=C(C)C)C[C@]2(CCOC2)O1 ZINC000253426835 171078421 /nfs/dbraw/zinc/07/84/21/171078421.db2.gz RPOFAIMWLCKMRA-KGLIPLIRSA-N 0 3 239.359 2.223 50 0 BEAAHN CC[C@H](C)NC(=O)CN1CCCC[C@@H]1CC ZINC000048342195 171325900 /nfs/dbraw/zinc/32/59/00/171325900.db2.gz UDPDEPYVGYVUQA-RYUDHWBXSA-N 0 3 226.364 2.166 50 0 BEAAHN CC[C@H](C)NCC(=O)Nc1cccc(C)c1 ZINC000005505659 171339658 /nfs/dbraw/zinc/33/96/58/171339658.db2.gz XRHQVVUGMMWYGW-NSHDSACASA-N 0 3 220.316 2.322 50 0 BEAAHN CN(C)C(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000032751253 172383959 /nfs/dbraw/zinc/38/39/59/172383959.db2.gz POVYHAGHFBTFEE-CQSZACIVSA-N 0 3 246.354 2.302 50 0 BEAAHN CN(CC1CCOCC1)c1ccccc1CN ZINC000042783819 172663663 /nfs/dbraw/zinc/66/36/63/172663663.db2.gz SYSRONORTHHTOC-UHFFFAOYSA-N 0 3 234.343 2.008 50 0 BEAAHN CN1CC[C@@](O)(c2ccccc2)C(C)(C)C1 ZINC000000242700 173138189 /nfs/dbraw/zinc/13/81/89/173138189.db2.gz ULHMJMVAPSQRBO-CQSZACIVSA-N 0 3 219.328 2.236 50 0 BEAAHN CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000001855817 173332616 /nfs/dbraw/zinc/33/26/16/173332616.db2.gz MOLOEKGEOUFCMA-UHFFFAOYSA-N 0 3 233.098 2.151 50 0 BEAAHN CNCc1nc2ccccc2n1C(F)F ZINC000008708125 173396535 /nfs/dbraw/zinc/39/65/35/173396535.db2.gz JHWMYJSMCLKAGA-UHFFFAOYSA-N 0 3 211.215 2.151 50 0 BEAAHN COCCCN(C)Cc1ccc(F)c(F)c1 ZINC000051710005 174217367 /nfs/dbraw/zinc/21/73/67/174217367.db2.gz ORHUWRTUBQKZBQ-UHFFFAOYSA-N 0 3 229.270 2.433 50 0 BEAAHN COCCN(C)[C@@H](C)c1cccc(O)c1 ZINC000071892979 174282067 /nfs/dbraw/zinc/28/20/67/174282067.db2.gz BLGRCDBEHKPUQA-JTQLQIEISA-N 0 3 209.289 2.031 50 0 BEAAHN COCCN(C)[C@@H](C)Cc1ccccc1OC ZINC000075895959 174282851 /nfs/dbraw/zinc/28/28/51/174282851.db2.gz OQFLTOMBCVRIKK-LBPRGKRZSA-N 0 3 237.343 2.204 50 0 BEAAHN COCCN(C)[C@H](C)c1cccc(O)c1 ZINC000071892980 174283172 /nfs/dbraw/zinc/28/31/72/174283172.db2.gz BLGRCDBEHKPUQA-SNVBAGLBSA-N 0 3 209.289 2.031 50 0 BEAAHN COCCN(Cc1c(C)noc1C)CC(C)C ZINC000065575410 174297825 /nfs/dbraw/zinc/29/78/25/174297825.db2.gz OPRADACXFGXNFE-UHFFFAOYSA-N 0 3 240.347 2.396 50 0 BEAAHN COCCN1CCc2sccc2[C@H]1C ZINC000053421706 174316609 /nfs/dbraw/zinc/31/66/09/174316609.db2.gz YJQAVUUHZGLWSX-SECBINFHSA-N 0 3 211.330 2.314 50 0 BEAAHN COCCNCCOc1ccccc1C(C)C ZINC000002931782 174333475 /nfs/dbraw/zinc/33/34/75/174333475.db2.gz VHELNXQNRZHWBH-UHFFFAOYSA-N 0 3 237.343 2.425 50 0 BEAAHN COc1ccc(CN2CCCC[C@@H]2C)cn1 ZINC000072313896 175098941 /nfs/dbraw/zinc/09/89/41/175098941.db2.gz IRXGWVLTFZLTMB-NSHDSACASA-N 0 3 220.316 2.465 50 0 BEAAHN COc1ccc(OCCNCc2ccco2)cc1 ZINC000003003448 175172617 /nfs/dbraw/zinc/17/26/17/175172617.db2.gz YTHQNCVUGYMBHJ-UHFFFAOYSA-N 0 3 247.294 2.457 50 0 BEAAHN COc1ccc(Oc2ccc(CN)cn2)cc1 ZINC000022210109 175173969 /nfs/dbraw/zinc/17/39/69/175173969.db2.gz ZOXMLFBPKXJGBJ-UHFFFAOYSA-N 0 3 230.267 2.341 50 0 BEAAHN COc1ccc([C@H]2[C@H](CO)CCCN2C)cc1 ZINC000068592564 175198656 /nfs/dbraw/zinc/19/86/56/175198656.db2.gz FGKFSGZEKVATDB-JSGCOSHPSA-N 0 3 235.327 2.070 50 0 BEAAHN COc1ccc2c(c1)[C@H](N)CC(C)(C)O2 ZINC000011848970 175215959 /nfs/dbraw/zinc/21/59/59/175215959.db2.gz FCSOIAKKUQWABD-SNVBAGLBSA-N 0 3 207.273 2.256 50 0 BEAAHN COc1cccc(C(F)(F)F)c1CN ZINC000038529853 175246896 /nfs/dbraw/zinc/24/68/96/175246896.db2.gz CPYXGRVUWLCIHG-UHFFFAOYSA-N 0 3 205.179 2.173 50 0 BEAAHN COc1cccc(C(=O)[C@H](C)CN(C)C)c1 ZINC000022114149 175247393 /nfs/dbraw/zinc/24/73/93/175247393.db2.gz YHCVGGJYRMYIGG-SNVBAGLBSA-N 0 3 221.300 2.076 50 0 BEAAHN COc1cccc(CN)c1OCC(C)C ZINC000035412937 175256677 /nfs/dbraw/zinc/25/66/77/175256677.db2.gz QOLWOGBXKSIFCC-UHFFFAOYSA-N 0 3 209.289 2.189 50 0 BEAAHN COc1cccc([C@H]2CSCCN2)c1 ZINC000004253689 175296659 /nfs/dbraw/zinc/29/66/59/175296659.db2.gz LETNFDFQIZLGNU-LLVKDONJSA-N 0 3 209.314 2.073 50 0 BEAAHN C[C@@H](c1ccccn1)N1CCN2CCCC[C@H]2C1 ZINC000246366501 176027613 /nfs/dbraw/zinc/02/76/13/176027613.db2.gz NMLKDZGLZPPQMY-KBPBESRZSA-N 0 3 245.370 2.313 50 0 BEAAHN C[C@@H]1CCCCN1Cc1cnc(N)s1 ZINC000058082842 176073063 /nfs/dbraw/zinc/07/30/63/176073063.db2.gz JTHSWUAZIVCTTC-MRVPVSSYSA-N 0 3 211.334 2.100 50 0 BEAAHN C[C@@H]1C[C@@H](C)CN([C@H](C(N)=O)c2ccccc2)C1 ZINC000034862997 176361365 /nfs/dbraw/zinc/36/13/65/176361365.db2.gz FJKQDJPBSGECLK-BZPMIXESSA-N 0 3 246.354 2.191 50 0 BEAAHN C[C@H](c1ccccc1)N(CC(N)=O)CC1CCC1 ZINC000077372240 177038493 /nfs/dbraw/zinc/03/84/93/177038493.db2.gz FEJQEEHJALKAPM-GFCCVEGCSA-N 0 3 246.354 2.335 50 0 BEAAHN C[C@H]1CCCN(C(=O)CN(C)C2CCCC2)C1 ZINC000053436407 177092065 /nfs/dbraw/zinc/09/20/65/177092065.db2.gz GCMODWPJZRTJBD-LBPRGKRZSA-N 0 3 238.375 2.119 50 0 BEAAHN C[C@H]1C[C@H]1NCc1cc2ccccc2[nH]c1=O ZINC000052272074 177385467 /nfs/dbraw/zinc/38/54/67/177385467.db2.gz BVQQDSVKWBOVNH-TVQRCGJNSA-N 0 3 228.295 2.438 50 0 BEAAHN FC(F)(F)CN1CC[C@H](NCc2ccco2)C1 ZINC000127345532 322890783 /nfs/dbraw/zinc/89/07/83/322890783.db2.gz IOPWRGPVUGOWOB-VIFPVBQESA-N 0 3 248.248 2.006 50 0 BEAAHN CCCCCCN1CCCC[C@@H]1C(=O)NC ZINC000084743101 488090262 /nfs/dbraw/zinc/09/02/62/488090262.db2.gz IHLDIWIERKOQSV-GFCCVEGCSA-N 0 3 226.364 2.167 50 0 BEAAHN CO[C@@H]1CCC[C@@H](NCc2c(C)noc2C)C1 ZINC000092339521 488090946 /nfs/dbraw/zinc/09/09/46/488090946.db2.gz OJAQZWDGXBCSQE-VXGBXAGGSA-N 0 3 238.331 2.339 50 0 BEAAHN C[C@@H](NC(=O)C1(N)CCCC1)C1=CCCCC1 ZINC000670444669 487492378 /nfs/dbraw/zinc/49/23/78/487492378.db2.gz DIKWVHMAHDGIAX-LLVKDONJSA-N 0 3 236.359 2.263 50 0 BEAAHN CC(C)c1cc(CN2CCN3CCC[C@@H]3C2)on1 ZINC000299755263 491116308 /nfs/dbraw/zinc/11/63/08/491116308.db2.gz DZGPJTZFMRFKOW-GFCCVEGCSA-N 0 3 249.358 2.078 50 0 BEAAHN CC(C)(C)OC[C@H](O)CNCc1cccs1 ZINC000002655067 518882396 /nfs/dbraw/zinc/88/23/96/518882396.db2.gz FLOCHDHJXGINOB-SNVBAGLBSA-N 0 3 243.372 2.014 50 0 BEAAHN CCOC(CN1CCS[C@H](C)[C@H]1C)OCC ZINC000241644353 521630648 /nfs/dbraw/zinc/63/06/48/521630648.db2.gz PQDIKCXDQFUDGQ-GHMZBOCLSA-N 0 3 247.404 2.211 50 0 BEAAHN CCc1ccc([C@@H](C)NCCc2nc(C)no2)o1 ZINC000089518420 524025186 /nfs/dbraw/zinc/02/51/86/524025186.db2.gz HEQUJWHRVHFUGS-SECBINFHSA-N 0 3 249.314 2.427 50 0 BEAAHN c1ccc(OCCCNCc2ccncc2)nc1 ZINC000035287232 526485466 /nfs/dbraw/zinc/48/54/66/526485466.db2.gz GLSOYPPCWHIBFF-UHFFFAOYSA-N 0 3 243.310 2.035 50 0 BEAAHN CC(C)N(C)CCOC(=O)/C=C/c1ccco1 ZINC000001822688 535011161 /nfs/dbraw/zinc/01/11/61/535011161.db2.gz ZDWALRWNPMUICD-VOTSOKGWSA-N 0 3 237.299 2.176 50 0 BEAAHN CC(C)(C)c1ccc(N2CCNCC2)cc1 ZINC000000276448 535116948 /nfs/dbraw/zinc/11/69/48/535116948.db2.gz ORDMNUOREWSOKN-UHFFFAOYSA-N 0 3 218.344 2.394 50 0 BEAAHN Cc1nc[nH]c1CN(C)CCc1ccccc1 ZINC000023281874 632771273 /nfs/dbraw/zinc/77/12/73/632771273.db2.gz KTEKDOYFRMJAOW-UHFFFAOYSA-N 0 3 229.327 2.393 50 0 BEAAHN CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319257 644686281 /nfs/dbraw/zinc/68/62/81/644686281.db2.gz BZOBBNCPEOXAOP-VIFPVBQESA-N 0 3 246.232 2.183 50 0 BEAAHN Clc1ccc(O[C@@H]2CN3CCC2CC3)nc1 ZINC000585655258 973928525 /nfs/dbraw/zinc/92/85/25/973928525.db2.gz ZFTPUGYFLJEYRC-LLVKDONJSA-N 0 3 238.718 2.208 50 0 BEAAHN CCC(CC)(CO)NCc1ccnc(Cl)c1 ZINC000096424677 168330074 /nfs/dbraw/zinc/33/00/74/168330074.db2.gz MPZUBDQLIVQMBW-UHFFFAOYSA-N 0 3 242.750 2.376 50 0 BEAAHN Cc1cc(CNCc2ccccc2)n[nH]1 ZINC000041050798 178027430 /nfs/dbraw/zinc/02/74/30/178027430.db2.gz WWMTVRMOFXBXAT-UHFFFAOYSA-N 0 3 201.273 2.008 50 0 BEAAHN c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)ccn1 ZINC000071771198 398160078 /nfs/dbraw/zinc/16/00/78/398160078.db2.gz RIGYXERUWQNYNQ-TXEJJXNPSA-N 0 3 200.285 2.484 50 0 BEAAHN Cc1cc(NCc2ccsc2)nc(N)n1 ZINC000052129382 178174874 /nfs/dbraw/zinc/17/48/74/178174874.db2.gz WATGTDHXZSWGRZ-UHFFFAOYSA-N 0 3 220.301 2.041 50 0 BEAAHN C[C@H]1CN(CCCF)C[C@H](C)N1CCCF ZINC000170608607 361801580 /nfs/dbraw/zinc/80/15/80/361801580.db2.gz AIULAWZRSPNTMO-RYUDHWBXSA-N 0 3 234.334 2.100 50 0 BEAAHN CCC(CC)CN[C@@H]1CCCn2ncnc21 ZINC000096493684 168363884 /nfs/dbraw/zinc/36/38/84/168363884.db2.gz GOEJATNWGOIUMU-LLVKDONJSA-N 0 3 222.336 2.139 50 0 BEAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2 ZINC000000080361 342673361 /nfs/dbraw/zinc/67/33/61/342673361.db2.gz CYJQCYXRNNCURD-DGCLKSJQSA-N 0 3 202.301 2.208 50 0 biogenic BEAAHN CCN(CC)CCOc1ccccc1C=O ZINC000000153440 342677472 /nfs/dbraw/zinc/67/74/72/342677472.db2.gz SLNFFKAUEGIFPB-UHFFFAOYSA-N 0 3 221.300 2.220 50 0 BEAAHN COC(=O)CCN1CCCC[C@H]1c1cccnc1 ZINC000000517623 342689087 /nfs/dbraw/zinc/68/90/87/342689087.db2.gz LILGHMLCASYUAH-ZDUSSCGKSA-N 0 3 248.326 2.172 50 0 biogenic BEAAHN Fc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000000325038 342683298 /nfs/dbraw/zinc/68/32/98/342683298.db2.gz MNMVPVCQOZPXSE-JTQLQIEISA-N 0 3 233.246 2.300 50 0 BEAAHN C[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057183 342671990 /nfs/dbraw/zinc/67/19/90/342671990.db2.gz RQHPADKWNYTHOH-VIFPVBQESA-N 0 3 214.268 2.126 50 0 in-vitro BEAAHN Cc1ccc([C@H](N)CC(=O)OC(C)C)cc1 ZINC000004219125 342744486 /nfs/dbraw/zinc/74/44/86/342744486.db2.gz DZUYKKPEUUMDHS-GFCCVEGCSA-N 0 3 221.300 2.337 50 0 BEAAHN CCN(CC)CC(=O)N[C@@H](C)c1ccccc1 ZINC000002479703 342721355 /nfs/dbraw/zinc/72/13/55/342721355.db2.gz ZJEFTFVSZKSNPH-LBPRGKRZSA-N 0 3 234.343 2.206 50 0 BEAAHN CC(C)(C)NCC(=O)Nc1ccc(F)cc1 ZINC000002643717 342726208 /nfs/dbraw/zinc/72/62/08/342726208.db2.gz QBBJWQMCMTTYFH-UHFFFAOYSA-N 0 3 224.279 2.152 50 0 BEAAHN CC(C)(C)[NH2+]C[C@@H](O)c1ccc([O-])cc1Cl ZINC000005353346 342762576 /nfs/dbraw/zinc/76/25/76/342762576.db2.gz LIXBJWRFCNRAPA-LLVKDONJSA-N 0 3 243.734 2.467 50 0 BEAAHN N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000008699667 342802590 /nfs/dbraw/zinc/80/25/90/342802590.db2.gz RGGKQVOLPJFKKB-LBPRGKRZSA-N 0 3 202.232 2.269 50 0 BEAAHN C[C@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000008497953 342799450 /nfs/dbraw/zinc/79/94/50/342799450.db2.gz GWJXEIVLHPCSAF-ZETCQYMHSA-N 0 3 234.126 2.464 50 0 BEAAHN Nc1cccc(OCCN2CCCCC2)c1 ZINC000015412127 342895745 /nfs/dbraw/zinc/89/57/45/342895745.db2.gz FLRCQMIOFFBPAU-UHFFFAOYSA-N 0 3 220.316 2.134 50 0 BEAAHN CCc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000016580521 342912682 /nfs/dbraw/zinc/91/26/82/342912682.db2.gz KILWPTJYDPCRAH-UHFFFAOYSA-N 0 3 246.354 2.073 50 0 BEAAHN Cn1c(CNC[C@@H]2CCCO2)cc2ccccc21 ZINC000016941678 342917619 /nfs/dbraw/zinc/91/76/19/342917619.db2.gz PHCDCGOCZGADJE-AWEZNQCLSA-N 0 3 244.338 2.447 50 0 BEAAHN CCN1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000019537040 342951352 /nfs/dbraw/zinc/95/13/52/342951352.db2.gz QEAXYRHIIVMWJW-UHFFFAOYSA-N 0 3 248.370 2.141 50 0 BEAAHN C[C@@H](CCN1CCN(C)CC1)c1ccccc1 ZINC000019633488 342952894 /nfs/dbraw/zinc/95/28/94/342952894.db2.gz DJNUXBMVYMBNNZ-AWEZNQCLSA-N 0 3 232.371 2.428 50 0 BEAAHN CC[C@@H](C)N1CCN(Cc2ccco2)CC1 ZINC000019842526 342959407 /nfs/dbraw/zinc/95/94/07/342959407.db2.gz MXJIRBFONXTXII-GFCCVEGCSA-N 0 3 222.332 2.196 50 0 BEAAHN CN(C)[C@H](CN)c1cccc(Br)c1 ZINC000019861914 342959840 /nfs/dbraw/zinc/95/98/40/342959840.db2.gz OYMFXONHTUORJI-SNVBAGLBSA-N 0 3 243.148 2.011 50 0 BEAAHN COc1ccc(CNCC2CC2)c(OC)c1 ZINC000019884608 342961324 /nfs/dbraw/zinc/96/13/24/342961324.db2.gz TUIICDCIJXSLOC-UHFFFAOYSA-N 0 3 221.300 2.203 50 0 BEAAHN c1coc(CC[C@@H]2NCCn3cccc32)c1 ZINC000000031394 344019565 /nfs/dbraw/zinc/01/95/65/344019565.db2.gz RHOAMZWKHWBKDB-LBPRGKRZSA-N 0 3 216.284 2.358 50 0 BEAAHN Clc1ccc(-c2n[nH]c3c2CNCC3)cc1 ZINC000020221833 342978112 /nfs/dbraw/zinc/97/81/12/342978112.db2.gz IKIYYMZYRARVEU-UHFFFAOYSA-N 0 3 233.702 2.376 50 0 BEAAHN CC(=O)c1ccc(NC(=O)[C@H](C)NC(C)C)cc1 ZINC000003326005 187246168 /nfs/dbraw/zinc/24/61/68/187246168.db2.gz TYIQCXFNQWXYBT-JTQLQIEISA-N 0 3 248.326 2.214 50 0 BEAAHN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1 ZINC000032012608 343227943 /nfs/dbraw/zinc/22/79/43/343227943.db2.gz DAGWNRUYMBGFSV-LDYMZIIASA-N 0 3 211.692 2.389 50 0 BEAAHN CCN1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019536666 343271624 /nfs/dbraw/zinc/27/16/24/343271624.db2.gz UQSASCFTSPWPHK-UHFFFAOYSA-N 0 3 243.354 2.305 50 0 BEAAHN Cc1ccc(C)c([C@H]2CN[C@@H](C)CO2)c1 ZINC000036986461 343329633 /nfs/dbraw/zinc/32/96/33/343329633.db2.gz UPQRMTDTWIYURA-WCQYABFASA-N 0 3 205.301 2.353 50 0 BEAAHN C[C@@H](CNCc1ccccn1)Oc1ccccn1 ZINC000035684104 343301986 /nfs/dbraw/zinc/30/19/86/343301986.db2.gz LDGOZLDQUMPDCZ-LBPRGKRZSA-N 0 3 243.310 2.034 50 0 BEAAHN CC(C)c1nn(-c2ccccc2)cc1CN ZINC000036379930 343317560 /nfs/dbraw/zinc/31/75/60/343317560.db2.gz ALAMOTODCYKTBF-UHFFFAOYSA-N 0 3 215.300 2.454 50 0 BEAAHN Cc1cc(Br)ccc1OC1CNC1 ZINC000038580790 343377122 /nfs/dbraw/zinc/37/71/22/343377122.db2.gz XGPPQIYXDCOJRQ-UHFFFAOYSA-N 0 3 242.116 2.108 50 0 BEAAHN N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000040449132 343404157 /nfs/dbraw/zinc/40/41/57/343404157.db2.gz ZTXURZVDGVBCIG-LBPRGKRZSA-N 0 3 225.295 2.480 50 0 BEAAHN CN(C(=O)C1CCCCC1)C1CCN(C)CC1 ZINC000033019500 343519035 /nfs/dbraw/zinc/51/90/35/343519035.db2.gz YSLFQCTUJWEXIB-UHFFFAOYSA-N 0 3 238.375 2.119 50 0 BEAAHN Cc1ccc(CN)c(OC[C@H]2CCCO2)c1 ZINC000051580638 178561467 /nfs/dbraw/zinc/56/14/67/178561467.db2.gz XKJGVUBROYSFBO-GFCCVEGCSA-N 0 3 221.300 2.012 50 0 BEAAHN O=C(c1ccccc1)[C@H]1CN2CCC1CC2 ZINC000000051653 344100227 /nfs/dbraw/zinc/10/02/27/344100227.db2.gz XZQHUOUQAUYEOU-ZDUSSCGKSA-N 0 3 215.296 2.211 50 0 BEAAHN O=C(c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000000051654 344100290 /nfs/dbraw/zinc/10/02/90/344100290.db2.gz XZQHUOUQAUYEOU-CYBMUJFWSA-N 0 3 215.296 2.211 50 0 BEAAHN COc1ccccc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384844071 344178939 /nfs/dbraw/zinc/17/89/39/344178939.db2.gz BAJGJFAYZPBIIJ-NQBHXWOUSA-N 0 3 235.327 2.351 50 0 BEAAHN c1ccc2c(c1)CN(C1CCOCC1)CCO2 ZINC000585148556 344213757 /nfs/dbraw/zinc/21/37/57/344213757.db2.gz FKACYCXMVJITQO-UHFFFAOYSA-N 0 3 233.311 2.060 50 0 BEAAHN CCc1cnc(NCCN2CCCC[C@@H]2C)nc1 ZINC000095375012 344335292 /nfs/dbraw/zinc/33/52/92/344335292.db2.gz YWCGVELDYNKZMH-LBPRGKRZSA-N 0 3 248.374 2.325 50 0 BEAAHN CCN(C(=O)[C@@H](N)C(C)C)c1ccccc1 ZINC000011958592 345089489 /nfs/dbraw/zinc/08/94/89/345089489.db2.gz IBPPEKALQZPIFM-LBPRGKRZSA-N 0 3 220.316 2.023 50 0 BEAAHN COC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccn1 ZINC000252570829 345538850 /nfs/dbraw/zinc/53/88/50/345538850.db2.gz XILYHENRCOTOGI-DMDPSCGWSA-N 0 3 248.326 2.074 50 0 BEAAHN Cc1cccc(CN2CCC(CO)CC2)c1 ZINC000046090806 179074132 /nfs/dbraw/zinc/07/41/32/179074132.db2.gz VUZBVUBHWVRIDI-UHFFFAOYSA-N 0 3 219.328 2.199 50 0 BEAAHN Cc1cccc(NC(=O)CNC2CCCC2)c1 ZINC000020037098 179127795 /nfs/dbraw/zinc/12/77/95/179127795.db2.gz BJZONBOJIUDYHV-UHFFFAOYSA-N 0 3 232.327 2.466 50 0 BEAAHN CCc1ccc(CN(C)CCN(C)C)cc1 ZINC000019606472 347340274 /nfs/dbraw/zinc/34/02/74/347340274.db2.gz DCHTWXDMHAHALK-UHFFFAOYSA-N 0 3 220.360 2.242 50 0 BEAAHN Cc1nn(-c2ccccc2C)c(C)c1CN ZINC000000333405 179242884 /nfs/dbraw/zinc/24/28/84/179242884.db2.gz KLVWCBVJLFOUFB-UHFFFAOYSA-N 0 3 215.300 2.256 50 0 BEAAHN CCN(Cc1ccoc1)C(=O)[C@@H](N)CC(C)C ZINC000195554206 347638563 /nfs/dbraw/zinc/63/85/63/347638563.db2.gz HXUCDAVNSBRIMC-LBPRGKRZSA-N 0 3 238.331 2.002 50 0 BEAAHN Cc1ccc2c(c1)CCN2C(=O)[C@@H](N)CC(C)C ZINC000195555055 347639809 /nfs/dbraw/zinc/63/98/09/347639809.db2.gz RXGRBLKCLRFYOA-ZDUSSCGKSA-N 0 3 246.354 2.258 50 0 BEAAHN Cc1ccccc1NC(=O)[C@H]1CCCCN1 ZINC000019412140 179301799 /nfs/dbraw/zinc/30/17/99/179301799.db2.gz OLNKMMBYJBCFNF-GFCCVEGCSA-N 0 3 218.300 2.076 50 0 BEAAHN Cc1ncccc1CN(C)CCc1ccccn1 ZINC000097113729 180218396 /nfs/dbraw/zinc/21/83/96/180218396.db2.gz YMMPTDHHIIULOP-UHFFFAOYSA-N 0 3 241.338 2.460 50 0 BEAAHN Cc1nccn1CCN1CCC[C@@](C)(F)C1 ZINC000295566929 180252348 /nfs/dbraw/zinc/25/23/48/180252348.db2.gz YJIDGUHVYYPSDE-GFCCVEGCSA-N 0 3 225.311 2.016 50 0 BEAAHN C[n+]1ccccc1/C=C/c1cccc([O-])c1 ZINC000004582945 191119146 /nfs/dbraw/zinc/11/91/46/191119146.db2.gz FAUOFTDOZBSXLA-CMDGGOBGSA-O 0 3 212.272 2.387 50 0 BEAAHN CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020572732 187936887 /nfs/dbraw/zinc/93/68/87/187936887.db2.gz HJGLMSPHPRPBCW-UHFFFAOYSA-N 0 3 246.354 2.177 50 0 BEAAHN C[C@H](N[C@@](C)(CO)C1CC1)c1ccco1 ZINC000097045729 188017645 /nfs/dbraw/zinc/01/76/45/188017645.db2.gz IEXVTNOINUVLHD-CABZTGNLSA-N 0 3 209.289 2.091 50 0 BEAAHN C/C(=C\c1ccccc1)CN[C@@H](C)C(=O)N(C)C ZINC000192713607 188253801 /nfs/dbraw/zinc/25/38/01/188253801.db2.gz SOIFOWIDMOCGBC-XSNHNAGMSA-N 0 3 246.354 2.156 50 0 BEAAHN CC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000005712813 188277421 /nfs/dbraw/zinc/27/74/21/188277421.db2.gz JKIQGQRVJAOUFQ-ZDUSSCGKSA-N 0 3 203.285 2.098 50 0 BEAAHN CC(C)(C)OC(=O)N[C@H]1CCN(C2CCC2)C1 ZINC000067801123 188304451 /nfs/dbraw/zinc/30/44/51/188304451.db2.gz QDMQAWYPPIACQF-JTQLQIEISA-N 0 3 240.347 2.138 50 0 BEAAHN Fc1ccccc1CNC[C@@H]1CCCO1 ZINC000000378568 181012847 /nfs/dbraw/zinc/01/28/47/181012847.db2.gz XYXJWOHQMGMWOL-NSHDSACASA-N 0 3 209.264 2.094 50 0 BEAAHN CCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000089977377 538590704 /nfs/dbraw/zinc/59/07/04/538590704.db2.gz WPFILPZHKJFVAI-AWEZNQCLSA-N 0 3 227.311 2.308 50 0 BEAAHN c1ccc2c(c1)CN([C@@H]1CCSC1)CCO2 ZINC000585381623 538800316 /nfs/dbraw/zinc/80/03/16/538800316.db2.gz RQQZXERGEDKFAK-GFCCVEGCSA-N 0 3 235.352 2.387 50 0 BEAAHN N[C@H]1CCOc2c1cccc2C(F)(F)F ZINC000016082986 357338367 /nfs/dbraw/zinc/33/83/67/357338367.db2.gz SZKIIVYBHMLAKJ-QMMMGPOBSA-N 0 3 217.190 2.488 50 0 BEAAHN O=C(CCN1CCCC1)c1ccc(F)cc1 ZINC000001748774 358422629 /nfs/dbraw/zinc/42/26/29/358422629.db2.gz MKQFFXDAFKJRDN-UHFFFAOYSA-N 0 3 221.275 2.494 50 0 BEAAHN CCN(C(=O)[C@H](N)CC(C)C)C1CCCC1 ZINC000035766372 359315921 /nfs/dbraw/zinc/31/59/21/359315921.db2.gz MDCBIWTVDZWHMY-GFCCVEGCSA-N 0 3 226.364 2.151 50 0 BEAAHN NC(=O)c1cccc(CN2CCCCCC2)c1 ZINC000032827778 181303522 /nfs/dbraw/zinc/30/35/22/181303522.db2.gz NOOUVCYSRFXAMI-UHFFFAOYSA-N 0 3 232.327 2.162 50 0 BEAAHN NC(=O)c1cccc(CN[C@H]2CCC23CCC3)c1 ZINC000241316780 181303823 /nfs/dbraw/zinc/30/38/23/181303823.db2.gz LUVKSKSOYARABI-ZDUSSCGKSA-N 0 3 244.338 2.208 50 0 BEAAHN CN(C)[C@H](CNc1ncccn1)c1ccccc1 ZINC000007003460 361169992 /nfs/dbraw/zinc/16/99/92/361169992.db2.gz MMBWRKVMICHSEQ-CYBMUJFWSA-N 0 3 242.326 2.191 50 0 BEAAHN COc1c(N)ccnc1-c1ccc(O)c(C)c1 ZINC000426383874 200981642 /nfs/dbraw/zinc/98/16/42/200981642.db2.gz PQVDUSQXEMCCGD-UHFFFAOYSA-N 0 3 230.267 2.353 50 0 BEAAHN CC[C@@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC000020036547 371220749 /nfs/dbraw/zinc/22/07/49/371220749.db2.gz YKGJOZHXOWPOFN-SECBINFHSA-N 0 3 224.279 2.152 50 0 BEAAHN c1coc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000020536616 371292364 /nfs/dbraw/zinc/29/23/64/371292364.db2.gz OVDYXPQHDTUPJK-NSHDSACASA-N 0 3 231.299 2.382 50 0 BEAAHN CC(C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000069454528 373280310 /nfs/dbraw/zinc/28/03/10/373280310.db2.gz FZDLHAKSLPCLBS-LBPRGKRZSA-N 0 3 226.364 2.023 50 0 BEAAHN Cc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000040540751 373462725 /nfs/dbraw/zinc/46/27/25/373462725.db2.gz YQKQJVQBJXSANQ-UHFFFAOYSA-N 0 3 246.354 2.082 50 0 BEAAHN CC(C)c1nc(C[NH+]2CCCCCC2)cc(=O)[n-]1 ZINC000041363149 374136380 /nfs/dbraw/zinc/13/63/80/374136380.db2.gz SWTFGIUIJWJQFF-UHFFFAOYSA-N 0 3 249.358 2.269 50 0 BEAAHN CCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000071876696 374319862 /nfs/dbraw/zinc/31/98/62/374319862.db2.gz RGPXRSJFVSJAPT-NSHDSACASA-N 0 3 207.321 2.194 50 0 BEAAHN OC1CCN(Cc2cccc3cccnc32)CC1 ZINC000025810319 183028595 /nfs/dbraw/zinc/02/85/95/183028595.db2.gz OFFSITBAQCQHJD-UHFFFAOYSA-N 0 3 242.322 2.192 50 0 BEAAHN OCCCCCCN1CCOc2ccccc2C1 ZINC000089865487 183044462 /nfs/dbraw/zinc/04/44/62/183044462.db2.gz GANICZDYZNTDKU-UHFFFAOYSA-N 0 3 249.354 2.434 50 0 BEAAHN OCCCN[C@H](c1ccccc1)c1ccncc1 ZINC000002382737 183060942 /nfs/dbraw/zinc/06/09/42/183060942.db2.gz CWVFBNDARBEEFR-OAHLLOKOSA-N 0 3 242.322 2.143 50 0 BEAAHN OC[C@@H]1CCCCN1Cc1ccsc1 ZINC000000246104 183116197 /nfs/dbraw/zinc/11/61/97/183116197.db2.gz DGPMZRYXOPFBIB-NSHDSACASA-N 0 3 211.330 2.095 50 0 BEAAHN OC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682943 183117943 /nfs/dbraw/zinc/11/79/43/183117943.db2.gz JWKYWLDINRFVBK-GFCCVEGCSA-N 0 3 223.291 2.030 50 0 BEAAHN OC[C@@H](NC[C@H]1CC=CCC1)c1ccco1 ZINC000095434062 183109211 /nfs/dbraw/zinc/10/92/11/183109211.db2.gz WLAFVRDODRRNAI-NWDGAFQWSA-N 0 3 221.300 2.259 50 0 BEAAHN OC[C@H]1CCCCN1CCCc1ccco1 ZINC000020406442 183146971 /nfs/dbraw/zinc/14/69/71/183146971.db2.gz GGOJPGUUMPDWGR-GFCCVEGCSA-N 0 3 223.316 2.059 50 0 BEAAHN O[C@@H](CNCc1ccccc1)c1ccco1 ZINC000032013184 183180516 /nfs/dbraw/zinc/18/05/16/183180516.db2.gz NWMGVDCFKHVCDX-LBPRGKRZSA-N 0 3 217.268 2.103 50 0 BEAAHN O[C@H](CNCc1ccccc1)c1ccco1 ZINC000032013185 183223933 /nfs/dbraw/zinc/22/39/33/183223933.db2.gz NWMGVDCFKHVCDX-GFCCVEGCSA-N 0 3 217.268 2.103 50 0 BEAAHN O[C@H]1CCCC[C@H]1N1CCc2sccc2C1 ZINC000037491171 183233069 /nfs/dbraw/zinc/23/30/69/183233069.db2.gz ALWUJNWBDWOKIF-NEPJUHHUSA-N 0 3 237.368 2.410 50 0 BEAAHN Oc1cccc(CNC[C@@H](O)c2ccccc2)c1 ZINC000035111644 183290638 /nfs/dbraw/zinc/29/06/38/183290638.db2.gz JIKCMGRFMNDBGD-OAHLLOKOSA-N 0 3 243.306 2.215 50 0 BEAAHN CCCNC(=O)CNC(C)(C)c1ccccc1 ZINC000299646318 169226437 /nfs/dbraw/zinc/22/64/37/169226437.db2.gz UIMDMQACRFRUSF-UHFFFAOYSA-N 0 3 234.343 2.038 50 0 BEAAHN c1cc(CN2CCN(C3CCCC3)CC2)ccn1 ZINC000019359900 183343539 /nfs/dbraw/zinc/34/35/39/183343539.db2.gz RJEBCEWXEBGTAV-UHFFFAOYSA-N 0 3 245.370 2.142 50 0 BEAAHN c1cn(-c2ccccc2)nc1[C@H]1CCCN1 ZINC000042784244 183386258 /nfs/dbraw/zinc/38/62/58/183386258.db2.gz WJHGWYMRTDYVBH-GFCCVEGCSA-N 0 3 213.284 2.297 50 0 BEAAHN c1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000000325035 183385498 /nfs/dbraw/zinc/38/54/98/183385498.db2.gz RJBMVNYIOPXWKS-SNVBAGLBSA-N 0 3 215.256 2.161 50 0 BEAAHN c1cc([C@@H]2CCCN2CCN2CCCCC2)n[nH]1 ZINC000375728127 183360520 /nfs/dbraw/zinc/36/05/20/183360520.db2.gz XWERHSSYDGGDJP-AWEZNQCLSA-N 0 3 248.374 2.033 50 0 BEAAHN COC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000000758758 383881392 /nfs/dbraw/zinc/88/13/92/383881392.db2.gz LSKQMAWNKVLQCJ-MRVPVSSYSA-N 0 3 215.243 2.089 50 0 BEAAHN CCOCCNCc1cccc(Cl)c1 ZINC000035151070 383833891 /nfs/dbraw/zinc/83/38/91/383833891.db2.gz KWUVSRBNSNMXBS-UHFFFAOYSA-N 0 3 213.708 2.466 50 0 BEAAHN CCC[C@H](N)C(=O)N(C)C1CCCCCC1 ZINC000036873462 383918301 /nfs/dbraw/zinc/91/83/01/383918301.db2.gz QHNJRISKEUOURJ-LBPRGKRZSA-N 0 3 226.364 2.295 50 0 BEAAHN CC[C@@H](N)c1nc(-c2ccccc2)c[nH]1 ZINC000036872535 383918463 /nfs/dbraw/zinc/91/84/63/383918463.db2.gz VNMNNUSKIAXVAQ-SNVBAGLBSA-N 0 3 201.273 2.487 50 0 BEAAHN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000036383201 383902015 /nfs/dbraw/zinc/90/20/15/383902015.db2.gz OERBUQKWFDTHOF-SCZZXKLOSA-N 0 3 233.233 2.260 50 0 BEAAHN CCC[C@@](C)(N)C(=O)N[C@H](C)c1ccccc1 ZINC000037621103 383989563 /nfs/dbraw/zinc/98/95/63/383989563.db2.gz BGSUQVLWKNOKQB-BXUZGUMPSA-N 0 3 234.343 2.381 50 0 BEAAHN FC(F)(F)c1cccc(OC2CNC2)c1 ZINC000002548662 383974365 /nfs/dbraw/zinc/97/43/65/383974365.db2.gz ADXWWNMHZFPXKW-UHFFFAOYSA-N 0 3 217.190 2.056 50 0 BEAAHN NCc1ccc(F)cc1Br ZINC000002567807 383976913 /nfs/dbraw/zinc/97/69/13/383976913.db2.gz IWESNUOWFSWAKP-UHFFFAOYSA-N 0 3 204.042 2.047 50 0 BEAAHN NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000038340188 384081221 /nfs/dbraw/zinc/08/12/21/384081221.db2.gz NFMPRFYCRUFTNS-GFCCVEGCSA-N 0 3 224.735 2.436 50 0 BEAAHN CCCCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000005123719 384101692 /nfs/dbraw/zinc/10/16/92/384101692.db2.gz ICYDMUVFCNNXHW-GFCCVEGCSA-N 0 3 247.404 2.076 50 0 BEAAHN Cc1cc(C)cc(CN2CCC[C@@H](O)C2)c1 ZINC000040465770 384153441 /nfs/dbraw/zinc/15/34/41/384153441.db2.gz YQVZBSNLPDHPCT-CQSZACIVSA-N 0 3 219.328 2.260 50 0 BEAAHN CO[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000091772859 384142678 /nfs/dbraw/zinc/14/26/78/384142678.db2.gz MYAWGYNFDRSAMY-LLVKDONJSA-N 0 3 211.330 2.359 50 0 BEAAHN Cn1cc(CN[C@@H]2CCCC(F)(F)C2)cn1 ZINC000336363716 384217514 /nfs/dbraw/zinc/21/75/14/384217514.db2.gz ZJXSEACKIIWDNQ-SNVBAGLBSA-N 0 3 229.274 2.088 50 0 BEAAHN C[C@@H](N)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000119399395 384245650 /nfs/dbraw/zinc/24/56/50/384245650.db2.gz VCYXQOBFIIFBSL-GFCCVEGCSA-N 0 3 238.375 2.297 50 0 BEAAHN COC1(C(F)(F)F)CCN(C(C)C)CC1 ZINC000335608693 384320163 /nfs/dbraw/zinc/32/01/63/384320163.db2.gz BUGINJUOJBXVNA-UHFFFAOYSA-N 0 3 225.254 2.438 50 0 BEAAHN CCc1nocc1CN[C@H](C)[C@H]1CCCOC1 ZINC000408524198 384290289 /nfs/dbraw/zinc/29/02/89/384290289.db2.gz RDKNCVQBTDRIRQ-MNOVXSKESA-N 0 3 238.331 2.142 50 0 BEAAHN NCc1csc(Cc2ccccc2)n1 ZINC000011850513 384296861 /nfs/dbraw/zinc/29/68/61/384296861.db2.gz LHILEUHATDBZOW-UHFFFAOYSA-N 0 3 204.298 2.193 50 0 BEAAHN Cc1ccc(N)cc1-c1nc(CN)cs1 ZINC000075879467 384345147 /nfs/dbraw/zinc/34/51/47/384345147.db2.gz RSDUGKYSBCOCTG-UHFFFAOYSA-N 0 3 219.313 2.159 50 0 BEAAHN FC(F)(F)c1ccc2c(c1)CNCC2 ZINC000013518462 384361334 /nfs/dbraw/zinc/36/13/34/384361334.db2.gz NGQHLYGRTFVUEM-UHFFFAOYSA-N 0 3 201.191 2.351 50 0 BEAAHN CCCCOCCCNCc1cccnc1 ZINC000013717852 384369562 /nfs/dbraw/zinc/36/95/62/384369562.db2.gz VWCIRLZFPKWEGE-UHFFFAOYSA-N 0 3 222.332 2.378 50 0 BEAAHN c1ccc2cc([C@@H]3CNCCN3)ccc2c1 ZINC000095067849 384329013 /nfs/dbraw/zinc/32/90/13/384329013.db2.gz DNMNNHMPDTUAFG-AWEZNQCLSA-N 0 3 212.296 2.074 50 0 BEAAHN FC1(F)CCC(NCc2cc[nH]n2)CC1 ZINC000308864256 384377892 /nfs/dbraw/zinc/37/78/92/384377892.db2.gz DBUYJCSGYINDPX-UHFFFAOYSA-N 0 3 215.247 2.077 50 0 BEAAHN NC[C@H](c1cccs1)N1CCCCC1 ZINC000019342945 384516426 /nfs/dbraw/zinc/51/64/26/384516426.db2.gz XOGNXYLXQMWUGN-SNVBAGLBSA-N 0 3 210.346 2.234 50 0 BEAAHN CCC[C@H](C)CNCc1nnc2ccccn21 ZINC000020185698 384588653 /nfs/dbraw/zinc/58/86/53/384588653.db2.gz HVGPLWDEQRCVLL-NSHDSACASA-N 0 3 232.331 2.255 50 0 BEAAHN C[C@H](C[C@@H](O)c1ccco1)NCc1cccn1C ZINC000095448844 384619302 /nfs/dbraw/zinc/61/93/02/384619302.db2.gz IYEFJRIFQICJPC-DGCLKSJQSA-N 0 3 248.326 2.220 50 0 BEAAHN CC[C@H](CO)N[C@@H](C)c1ccccc1OC ZINC000020194858 384592633 /nfs/dbraw/zinc/59/26/33/384592633.db2.gz HTJFCOKMDJSZPA-WDEREUQCSA-N 0 3 223.316 2.117 50 0 BEAAHN Cc1ccc(CN)c(OC[C@@H]2CCCO2)c1 ZINC000051580637 384671078 /nfs/dbraw/zinc/67/10/78/384671078.db2.gz XKJGVUBROYSFBO-LBPRGKRZSA-N 0 3 221.300 2.012 50 0 BEAAHN c1cc2c(cccc2N2CCNCC2)s1 ZINC000082050869 384645052 /nfs/dbraw/zinc/64/50/52/384645052.db2.gz VMIRJNDPLCQEHB-UHFFFAOYSA-N 0 3 218.325 2.311 50 0 BEAAHN Cn1cncc1CN[C@H]1CCCC(F)(F)C1 ZINC000335918374 384694097 /nfs/dbraw/zinc/69/40/97/384694097.db2.gz UGOWXDVEDPIGDE-VIFPVBQESA-N 0 3 229.274 2.088 50 0 BEAAHN CN(C)CCNCc1cccc(C(F)(F)F)c1 ZINC000021962795 384711571 /nfs/dbraw/zinc/71/15/71/384711571.db2.gz FYGSTEFVMGKXIF-UHFFFAOYSA-N 0 3 246.276 2.357 50 0 BEAAHN Clc1cccc(Cl)c1N1CCNCC1 ZINC000083357761 384761114 /nfs/dbraw/zinc/76/11/14/384761114.db2.gz JIJMTXRHRBBARH-UHFFFAOYSA-N 0 3 231.126 2.403 50 0 BEAAHN CN[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000054052913 384819310 /nfs/dbraw/zinc/81/93/10/384819310.db2.gz YUXAXRSHSXTJQR-ZCFIWIBFSA-N 0 3 209.680 2.497 50 0 BEAAHN COC(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000083884613 384808592 /nfs/dbraw/zinc/80/85/92/384808592.db2.gz UXOKNDFGYDXGGN-SECBINFHSA-N 0 3 247.216 2.268 50 0 BEAAHN CN[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003896866 384873428 /nfs/dbraw/zinc/87/34/28/384873428.db2.gz WSZNXOWXMNCLMF-BRZBPJHZSA-N 0 3 221.344 2.380 50 0 BEAAHN CN1CCC(C(=O)c2ccccc2F)CC1 ZINC000026895901 384886232 /nfs/dbraw/zinc/88/62/32/384886232.db2.gz MSCURGXTUQIQQN-UHFFFAOYSA-N 0 3 221.275 2.350 50 0 in-vitro BEAAHN C[C@H](CCn1cncn1)N[C@H](C)c1ccco1 ZINC000095419477 384841177 /nfs/dbraw/zinc/84/11/77/384841177.db2.gz UGGJFTJDZVOQAP-GHMZBOCLSA-N 0 3 234.303 2.001 50 0 BEAAHN CC/C=C(/C)C(=O)NC1CCN(C2CC2)CC1 ZINC000058330474 384995874 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CC(C)(CO)NCc1ccc(Cl)cc1 ZINC000004657420 188276692 /nfs/dbraw/zinc/27/66/92/188276692.db2.gz MNZKAQWNFMEAFE-UHFFFAOYSA-N 0 3 213.708 2.201 50 0 BEAAHN CC(C)C[C@@H](N)C(=O)N(C)Cc1ccccc1 ZINC000019476828 188280614 /nfs/dbraw/zinc/28/06/14/188280614.db2.gz RLBDAOSSJZBCNF-CYBMUJFWSA-N 0 3 234.343 2.018 50 0 BEAAHN CC(C)=CCN1CCC[C@H]1Cn1nc(C)nc1C ZINC000069740981 188285201 /nfs/dbraw/zinc/28/52/01/188285201.db2.gz AUWQCRPGELLNRC-AWEZNQCLSA-N 0 3 248.374 2.326 50 0 BEAAHN CC(C)(C)[C@@H](N)C(=O)N1CCCCCCC1 ZINC000077458842 188290405 /nfs/dbraw/zinc/29/04/05/188290405.db2.gz RIDHUMZIKFOLBX-NSHDSACASA-N 0 3 226.364 2.153 50 0 BEAAHN CNCc1cccc(Br)c1OC ZINC000042411550 188294308 /nfs/dbraw/zinc/29/43/08/188294308.db2.gz GRWGTHXCZOZGMQ-UHFFFAOYSA-N 0 3 230.105 2.177 50 0 BEAAHN CC(C)(C)OC(=O)N1C[C@@H](N)c2ccccc21 ZINC000084786105 188317242 /nfs/dbraw/zinc/31/72/42/188317242.db2.gz ZYMMFTVNDRHTLJ-SNVBAGLBSA-N 0 3 234.299 2.442 50 0 BEAAHN CCN(CC)Cc1cccc(NC(C)=O)c1 ZINC000046016158 353347108 /nfs/dbraw/zinc/34/71/08/353347108.db2.gz ZUNFCOLNGCBGPG-UHFFFAOYSA-N 0 3 220.316 2.487 50 0 BEAAHN Fc1ccccc1CN[C@H]1CN2CCC1CC2 ZINC000019871980 181013162 /nfs/dbraw/zinc/01/31/62/181013162.db2.gz CRULJLNEEKZLNG-AWEZNQCLSA-N 0 3 234.318 2.010 50 0 BEAAHN Cc1cc(C)cc(Oc2cc(NN)ncn2)c1 ZINC000015829129 356325125 /nfs/dbraw/zinc/32/51/25/356325125.db2.gz GCEQGPUJKVEDBF-UHFFFAOYSA-N 0 3 230.271 2.171 50 0 BEAAHN CC[C@H](C)NCc1ccnc(F)c1F ZINC000675070215 538500799 /nfs/dbraw/zinc/50/07/99/538500799.db2.gz RQKSMOODSPULFB-ZETCQYMHSA-N 0 3 200.232 2.248 50 0 BEAAHN CNCc1cc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000087283152 538564926 /nfs/dbraw/zinc/56/49/26/538564926.db2.gz MEEMFSKJWXPSBY-UHFFFAOYSA-N 0 3 223.226 2.074 50 0 BEAAHN c1ccc2c(c1)CN([C@H]1CCSC1)CCO2 ZINC000585381624 538800423 /nfs/dbraw/zinc/80/04/23/538800423.db2.gz RQQZXERGEDKFAK-LBPRGKRZSA-N 0 3 235.352 2.387 50 0 BEAAHN NC(=O)c1ccc(CNC2CCCCCC2)o1 ZINC000095406407 181296909 /nfs/dbraw/zinc/29/69/09/181296909.db2.gz SKIGPLXKPLHNJH-UHFFFAOYSA-N 0 3 236.315 2.191 50 0 BEAAHN COc1ccccc1[C@H](C)NC[C@@H](O)C(C)C ZINC000131286865 358668116 /nfs/dbraw/zinc/66/81/16/358668116.db2.gz JFGAWCMNCAFVJO-WCQYABFASA-N 0 3 237.343 2.363 50 0 BEAAHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccn1 ZINC000252570830 363893980 /nfs/dbraw/zinc/89/39/80/363893980.db2.gz XILYHENRCOTOGI-LOWVWBTDSA-N 0 3 248.326 2.074 50 0 BEAAHN NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000019256966 181490178 /nfs/dbraw/zinc/49/01/78/181490178.db2.gz FFFAEFIVCXMBKE-UHFFFAOYSA-N 0 3 218.231 2.472 50 0 BEAAHN N[C@@H](c1ccncc1)c1cc(F)ccc1F ZINC000090225635 181568293 /nfs/dbraw/zinc/56/82/93/181568293.db2.gz ULCQZXRSMQHROF-LBPRGKRZSA-N 0 3 220.222 2.408 50 0 BEAAHN N[C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC000037597703 181652945 /nfs/dbraw/zinc/65/29/45/181652945.db2.gz MMCIPVIZAJIRKM-QMMMGPOBSA-N 0 3 217.190 2.488 50 0 BEAAHN COC(=O)[N-]c1cn(-c2ccc(C)cc2)n[o+]1 ZINC000004115529 372146714 /nfs/dbraw/zinc/14/67/14/372146714.db2.gz SKJCULCINIRVDO-UHFFFAOYSA-O 0 3 234.235 2.233 50 0 BEAAHN O=C(Cc1ccccc1)OCCN1CCCCC1 ZINC000000289797 182043955 /nfs/dbraw/zinc/04/39/55/182043955.db2.gz LUNFUCOZDOLWDT-UHFFFAOYSA-N 0 3 247.338 2.258 50 0 BEAAHN CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC000040461908 373281729 /nfs/dbraw/zinc/28/17/29/373281729.db2.gz GQJDUQMGANBWHT-CQSZACIVSA-N 0 3 246.354 2.209 50 0 BEAAHN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCCN1 ZINC000019409204 182357117 /nfs/dbraw/zinc/35/71/17/182357117.db2.gz YKBCMIJNDPBMOU-NSHDSACASA-N 0 3 240.253 2.045 50 0 BEAAHN O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1 ZINC000019411168 182350179 /nfs/dbraw/zinc/35/01/79/182350179.db2.gz QGPTVOCPVYZWIW-LLVKDONJSA-N 0 3 240.253 2.045 50 0 BEAAHN O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1 ZINC000019411166 182350225 /nfs/dbraw/zinc/35/02/25/182350225.db2.gz QGPTVOCPVYZWIW-NSHDSACASA-N 0 3 240.253 2.045 50 0 BEAAHN OCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000038953061 183041268 /nfs/dbraw/zinc/04/12/68/183041268.db2.gz FWAZUFNANVXNLF-UHFFFAOYSA-N 0 3 223.291 2.030 50 0 BEAAHN OCCCN(Cc1ccc(F)cc1)C1CC1 ZINC000067444119 183054137 /nfs/dbraw/zinc/05/41/37/183054137.db2.gz BHCYYLSUHHBCKR-UHFFFAOYSA-N 0 3 223.291 2.173 50 0 BEAAHN OCCCN[C@@H](c1ccccc1)c1ccncc1 ZINC000002382734 183059630 /nfs/dbraw/zinc/05/96/30/183059630.db2.gz CWVFBNDARBEEFR-HNNXBMFYSA-N 0 3 242.322 2.143 50 0 BEAAHN OCC[C@@H]1CCCCN1Cc1ccsc1 ZINC000023115051 183092142 /nfs/dbraw/zinc/09/21/42/183092142.db2.gz VBRRRWYYODKMGW-LBPRGKRZSA-N 0 3 225.357 2.485 50 0 BEAAHN OCC[C@@H]1CCCCN1Cc1ccco1 ZINC000023115027 183093398 /nfs/dbraw/zinc/09/33/98/183093398.db2.gz IYJXJOHXCCRBEA-NSHDSACASA-N 0 3 209.289 2.017 50 0 BEAAHN OC[C@@H]1CCCCN1CCc1ccccc1F ZINC000274698046 183116289 /nfs/dbraw/zinc/11/62/89/183116289.db2.gz XERDTXYINXMSTF-ZDUSSCGKSA-N 0 3 237.318 2.215 50 0 BEAAHN OC[C@@H](NC[C@@H]1CC=CCC1)c1ccco1 ZINC000095434064 183108142 /nfs/dbraw/zinc/10/81/42/183108142.db2.gz WLAFVRDODRRNAI-VXGBXAGGSA-N 0 3 221.300 2.259 50 0 BEAAHN OC[C@H](NC[C@@H]1CC=CCC1)c1ccco1 ZINC000095434065 183139245 /nfs/dbraw/zinc/13/92/45/183139245.db2.gz WLAFVRDODRRNAI-NEPJUHHUSA-N 0 3 221.300 2.259 50 0 BEAAHN OC[C@H]1CCCN1Cc1ccccc1Cl ZINC000011727388 183149803 /nfs/dbraw/zinc/14/98/03/183149803.db2.gz BFYLBYRGTUNXPO-LLVKDONJSA-N 0 3 225.719 2.297 50 0 BEAAHN O[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000293076329 183193597 /nfs/dbraw/zinc/19/35/97/183193597.db2.gz JIASKLQMHLNRRX-CYBMUJFWSA-N 0 3 223.291 2.173 50 0 BEAAHN Oc1cccc(CNC[C@H](O)c2ccccc2)c1 ZINC000035111647 183290875 /nfs/dbraw/zinc/29/08/75/183290875.db2.gz JIKCMGRFMNDBGD-HNNXBMFYSA-N 0 3 243.306 2.215 50 0 BEAAHN Oc1cccc(CN[C@@H]2CCCSC2)c1 ZINC000075152011 183291286 /nfs/dbraw/zinc/29/12/86/183291286.db2.gz DKFZXGJRYZAXPI-LLVKDONJSA-N 0 3 223.341 2.377 50 0 BEAAHN Oc1cccc(CN[C@H]2CCCSC2)c1 ZINC000075152012 183291982 /nfs/dbraw/zinc/29/19/82/183291982.db2.gz DKFZXGJRYZAXPI-NSHDSACASA-N 0 3 223.341 2.377 50 0 BEAAHN CCCN1c2ccccc2N2CCN=C12 ZINC000001244540 169185478 /nfs/dbraw/zinc/18/54/78/169185478.db2.gz SFCZUTISULZKDZ-UHFFFAOYSA-N 0 3 201.273 2.093 50 0 BEAAHN c1[nH]nc2c1CCC[C@H]2OCCN1CCCCC1 ZINC000194442546 183320412 /nfs/dbraw/zinc/32/04/12/183320412.db2.gz WMRHAHJRHYYJIM-CYBMUJFWSA-N 0 3 249.358 2.290 50 0 BEAAHN c1[nH]nc2ccc(N[C@H]3CN4CCC3CC4)cc12 ZINC000036989643 183364058 /nfs/dbraw/zinc/36/40/58/183364058.db2.gz JHKAKBRKPHFNAU-AWEZNQCLSA-N 0 3 242.326 2.069 50 0 BEAAHN CCCNCC(=O)Nc1ccc(F)c(F)c1F ZINC000003886997 169256257 /nfs/dbraw/zinc/25/62/57/169256257.db2.gz VUXHVSPOHOOGNK-UHFFFAOYSA-N 0 3 246.232 2.042 50 0 BEAAHN c1ccc2c(c1)C[C@@H](NCc1ccncc1)CO2 ZINC000067842208 183448844 /nfs/dbraw/zinc/44/88/44/183448844.db2.gz QORHRNATUMGKIU-CQSZACIVSA-N 0 3 240.306 2.175 50 0 BEAAHN C[C@@H](NC1CCCC1)c1nnc2ccccn21 ZINC000035044248 383824896 /nfs/dbraw/zinc/82/48/96/383824896.db2.gz XEDZJBKFMCTCPC-SNVBAGLBSA-N 0 3 230.315 2.323 50 0 BEAAHN CN[C@@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000001387498 383897302 /nfs/dbraw/zinc/89/73/02/383897302.db2.gz AXSNSIOPEKUXAM-ABAIWWIYSA-N 0 3 243.306 2.101 50 0 BEAAHN FC(F)(F)c1cccc([C@H]2CNCCO2)c1 ZINC000001571539 383905360 /nfs/dbraw/zinc/90/53/60/383905360.db2.gz GXPYCYWPUGKQIJ-SNVBAGLBSA-N 0 3 231.217 2.366 50 0 in-man BEAAHN O=Cc1ccc(OCCN2CCCCC2)cc1 ZINC000002569987 383978319 /nfs/dbraw/zinc/97/83/19/383978319.db2.gz WCLJTEXCGGSJJN-UHFFFAOYSA-N 0 3 233.311 2.364 50 0 BEAAHN c1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000000264181 383991460 /nfs/dbraw/zinc/99/14/60/383991460.db2.gz UNRCHURPBOXKHQ-ZDUSSCGKSA-N 0 3 202.301 2.193 50 0 BEAAHN CC(C)(C)OC(=O)N[C@@H]1CCN(C2CCC2)C1 ZINC000067801154 383947226 /nfs/dbraw/zinc/94/72/26/383947226.db2.gz QDMQAWYPPIACQF-SNVBAGLBSA-N 0 3 240.347 2.138 50 0 BEAAHN Cn1cc(CN(C2CC2)C2CC=CC2)cn1 ZINC000067851140 383954687 /nfs/dbraw/zinc/95/46/87/383954687.db2.gz GGAWPCUEPCHERK-UHFFFAOYSA-N 0 3 217.316 2.103 50 0 BEAAHN NCc1cc(F)ccc1Br ZINC000002512346 383968676 /nfs/dbraw/zinc/96/86/76/383968676.db2.gz HEVQVBQUMCXTJO-UHFFFAOYSA-N 0 3 204.042 2.047 50 0 BEAAHN NCc1c(F)cc(Br)cc1F ZINC000002539993 383974401 /nfs/dbraw/zinc/97/44/01/383974401.db2.gz WAJJIVIBRLOHEU-UHFFFAOYSA-N 0 3 222.032 2.186 50 0 BEAAHN N[C@H](c1ccccc1)[C@H](N)c1ccccc1 ZINC000091684259 384139168 /nfs/dbraw/zinc/13/91/68/384139168.db2.gz PONXTPCRRASWKW-ZIAGYGMSSA-N 0 3 212.296 2.386 50 0 in-vivo BEAAHN C[C@@H]1Cc2cc(CNC[C@@H]3CCCO3)ccc2O1 ZINC000006679753 384162961 /nfs/dbraw/zinc/16/29/61/384162961.db2.gz BVJLJADGPBUSCS-RISCZKNCSA-N 0 3 247.338 2.279 50 0 BEAAHN CC[C@@H](N)c1nccn1Cc1ccccc1 ZINC000071790786 384179374 /nfs/dbraw/zinc/17/93/74/384179374.db2.gz RBKIHBPQBBAGMX-GFCCVEGCSA-N 0 3 215.300 2.341 50 0 BEAAHN Cc1ccc(C)c(C(=O)[C@H]2CCCN2)c1 ZINC000011630652 384293781 /nfs/dbraw/zinc/29/37/81/384293781.db2.gz SPWWHVFQUNQHMW-GFCCVEGCSA-N 0 3 203.285 2.238 50 0 BEAAHN FC(F)(F)c1cccc2c1CCNC2 ZINC000012956930 384343784 /nfs/dbraw/zinc/34/37/84/384343784.db2.gz VPHAVSUTGGDJSC-UHFFFAOYSA-N 0 3 201.191 2.351 50 0 BEAAHN CC[C@H](NCCn1ccnc1)c1c(C)noc1C ZINC000097111102 384374037 /nfs/dbraw/zinc/37/40/37/384374037.db2.gz RFYCFBKSRKBLJX-LBPRGKRZSA-N 0 3 248.330 2.229 50 0 BEAAHN C[C@@](N)(CO)c1cc(Cl)cc(Cl)c1 ZINC000095757563 384393048 /nfs/dbraw/zinc/39/30/48/384393048.db2.gz AKWBIZPYSIOVLX-SECBINFHSA-N 0 3 220.099 2.160 50 0 BEAAHN Cc1c2c(ccc1Br)CNC2 ZINC000095803735 384398491 /nfs/dbraw/zinc/39/84/91/384398491.db2.gz XCFYSNOOAYRFRW-UHFFFAOYSA-N 0 3 212.090 2.361 50 0 BEAAHN c1n[nH]cc1C1CCN(Cc2cccnc2)CC1 ZINC000097203363 384441310 /nfs/dbraw/zinc/44/13/10/384441310.db2.gz DHQSVBJTNITECQ-UHFFFAOYSA-N 0 3 242.326 2.184 50 0 BEAAHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)N)c1 ZINC000157437044 384462835 /nfs/dbraw/zinc/46/28/35/384462835.db2.gz GQYGDSBYCKWBAW-OCCSQVGLSA-N 0 3 246.354 2.314 50 0 BEAAHN NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000047843829 384467862 /nfs/dbraw/zinc/46/78/62/384467862.db2.gz STTNIAOMTGSCFK-MRVPVSSYSA-N 0 3 239.624 2.049 50 0 BEAAHN CN(Cc1ccccc1)c1ncccc1CN ZINC000019279039 384516232 /nfs/dbraw/zinc/51/62/32/384516232.db2.gz PRKJIFJPSQDOMC-UHFFFAOYSA-N 0 3 227.311 2.177 50 0 BEAAHN NC[C@H](c1ccco1)N1CCCCCC1 ZINC000019702319 384533626 /nfs/dbraw/zinc/53/36/26/384533626.db2.gz LKCYAUMUKKLMBY-LLVKDONJSA-N 0 3 208.305 2.155 50 0 BEAAHN NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000258453242 384592016 /nfs/dbraw/zinc/59/20/16/384592016.db2.gz LVMGBLFILXPECI-UHFFFAOYSA-N 0 3 219.332 2.336 50 0 BEAAHN CC[C@@H](CO)N[C@@H](C)c1ccccc1OC ZINC000020194855 384593050 /nfs/dbraw/zinc/59/30/50/384593050.db2.gz HTJFCOKMDJSZPA-QWRGUYRKSA-N 0 3 223.316 2.117 50 0 BEAAHN Cc1n[nH]cc1CCCN[C@H](C)c1ccccn1 ZINC000050182405 384600273 /nfs/dbraw/zinc/60/02/73/384600273.db2.gz PSMVWIZCXHOBLN-GFCCVEGCSA-N 0 3 244.342 2.397 50 0 BEAAHN C[C@H](N)c1cccc2c1OC(F)(F)O2 ZINC000082912763 384601336 /nfs/dbraw/zinc/60/13/36/384601336.db2.gz CBTSTJVNWKVHDE-YFKPBYRVSA-N 0 3 201.172 2.028 50 0 BEAAHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccco1)C2 ZINC000097084943 384699872 /nfs/dbraw/zinc/69/98/72/384699872.db2.gz BKOGVIJRUSKVKY-RISCZKNCSA-N 0 3 249.310 2.055 50 0 BEAAHN NCc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000082661538 384699992 /nfs/dbraw/zinc/69/99/92/384699992.db2.gz RLACYCYSPSAJTJ-UHFFFAOYSA-N 0 3 241.216 2.350 50 0 BEAAHN Cn1cc([C@@H]2CCCN2C[C@H]2CCCCO2)cn1 ZINC000245864741 384737893 /nfs/dbraw/zinc/73/78/93/384737893.db2.gz SRKTXZMNRGLNPO-KGLIPLIRSA-N 0 3 249.358 2.126 50 0 BEAAHN CN(C)CCNCc1ccccc1C(F)(F)F ZINC000022146498 384740441 /nfs/dbraw/zinc/74/04/41/384740441.db2.gz AMRQSQUYDKSXOJ-UHFFFAOYSA-N 0 3 246.276 2.357 50 0 BEAAHN N[C@@H](CO)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000072198901 384815615 /nfs/dbraw/zinc/81/56/15/384815615.db2.gz FSIOCDSWBPUUGP-QMMMGPOBSA-N 0 3 239.624 2.351 50 0 BEAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2ccccn2)c1 ZINC000069899400 384819453 /nfs/dbraw/zinc/81/94/53/384819453.db2.gz DKKVRUQSHZZPOY-CHWSQXEVSA-N 0 3 244.342 2.326 50 0 BEAAHN COC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000083884612 384807385 /nfs/dbraw/zinc/80/73/85/384807385.db2.gz UXOKNDFGYDXGGN-VIFPVBQESA-N 0 3 247.216 2.268 50 0 BEAAHN CC(C)(C)OC(=O)N1C[C@H](N)c2ccccc21 ZINC000084786103 384898626 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0 BEAAHN NCc1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000020270443 582459410 /nfs/dbraw/zinc/45/94/10/582459410.db2.gz CSXHDSGUGFYTJA-UHFFFAOYSA-N 0 3 207.664 2.189 50 0 BEAAHN C[C@@H](Cc1ccc(F)cc1)N1CCN(C)CC1 ZINC000022455305 642470058 /nfs/dbraw/zinc/47/00/58/642470058.db2.gz JWEAFEFQFPAXKI-LBPRGKRZSA-N 0 3 236.334 2.004 50 0 BEAAHN CN(Cc1ccns1)C[C@H]1CCSC1 ZINC000585138247 972169950 /nfs/dbraw/zinc/16/99/50/972169950.db2.gz XXOKGHPNLSLRGZ-SECBINFHSA-N 0 3 228.386 2.328 50 0 BEAAHN Cc1ccc(CNCCn2cnc(C)c2C)o1 ZINC000952869616 974049528 /nfs/dbraw/zinc/04/95/28/974049528.db2.gz WSQQPHORDDEJFC-UHFFFAOYSA-N 0 3 233.315 2.191 50 0 BEAAHN C[C@H]1C[C@@H]1c1ccc(CNCCN(C)C)o1 ZINC000019260204 136208378 /nfs/dbraw/zinc/20/83/78/136208378.db2.gz DHAQBFIMXSUXJB-JQWIXIFHSA-N 0 3 222.332 2.054 50 0 BEAAHN O=C(CNCC1CCC1)Nc1ccccc1F ZINC000037180640 361736417 /nfs/dbraw/zinc/73/64/17/361736417.db2.gz IFXQBAHHUUYTQH-UHFFFAOYSA-N 0 3 236.290 2.154 50 0 BEAAHN Cc1nc(CNc2cc(C)nc(N)n2)sc1C ZINC000091625190 178176990 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N[C@H](CO)c1ccc(Oc2ccccc2)cc1 ZINC000012404652 342851498 /nfs/dbraw/zinc/85/14/98/342851498.db2.gz LMSNUMFFSQXLQO-CQSZACIVSA-N 0 3 229.279 2.471 50 0 BEAAHN N[C@@H](CO)c1ccc(Oc2ccccc2)cc1 ZINC000012404651 342851555 /nfs/dbraw/zinc/85/15/55/342851555.db2.gz LMSNUMFFSQXLQO-AWEZNQCLSA-N 0 3 229.279 2.471 50 0 BEAAHN CCN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000016605629 342913609 /nfs/dbraw/zinc/91/36/09/342913609.db2.gz HJVBERPHJCVVCV-UHFFFAOYSA-N 0 3 246.354 2.209 50 0 BEAAHN C[C@H](CCN1CCN(C)CC1)c1ccccc1 ZINC000019633493 342952582 /nfs/dbraw/zinc/95/25/82/342952582.db2.gz DJNUXBMVYMBNNZ-CQSZACIVSA-N 0 3 232.371 2.428 50 0 BEAAHN CCN1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000019637557 342952828 /nfs/dbraw/zinc/95/28/28/342952828.db2.gz XYIIQRLWZGORRB-INIZCTEOSA-N 0 3 244.382 2.181 50 0 BEAAHN CC(C)c1ccc([C@H](CN)N2CCOCC2)cc1 ZINC000019796056 342958326 /nfs/dbraw/zinc/95/83/26/342958326.db2.gz SYGSUGSNNBDIRF-HNNXBMFYSA-N 0 3 248.370 2.142 50 0 BEAAHN CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1 ZINC000021301014 343009220 /nfs/dbraw/zinc/00/92/20/343009220.db2.gz LSZJZDBPJNYEIE-NSHDSACASA-N 0 3 242.363 2.241 50 0 BEAAHN C/C=C/CN[C@@H](C)[C@H]1COc2ccccc2O1 ZINC000005223500 343273887 /nfs/dbraw/zinc/27/38/87/343273887.db2.gz VJIZBWOOTHFFNS-FSHFUFFASA-N 0 3 233.311 2.381 50 0 BEAAHN COC[C@H](C)NCc1cc(C)cc(C)c1 ZINC000037978636 343363860 /nfs/dbraw/zinc/36/38/60/343363860.db2.gz PRUFVHVCVXFJHX-LBPRGKRZSA-N 0 3 207.317 2.428 50 0 BEAAHN CCc1cc(Cl)ccc1OC1CNC1 ZINC000042769639 343451866 /nfs/dbraw/zinc/45/18/66/343451866.db2.gz MZKYKYUGULJCCT-UHFFFAOYSA-N 0 3 211.692 2.253 50 0 BEAAHN FC1(F)CC[C@@H](CN2CCCOCC2)C1 ZINC000334657009 343899697 /nfs/dbraw/zinc/89/96/97/343899697.db2.gz RUPKSQLZJURPNV-SNVBAGLBSA-N 0 3 219.275 2.144 50 0 BEAAHN CN(C[C@@H]1CCCN1C)c1ccc(Cl)cn1 ZINC000092670660 343960990 /nfs/dbraw/zinc/96/09/90/343960990.db2.gz BXHMVDZSFCFFBK-NSHDSACASA-N 0 3 239.750 2.265 50 0 BEAAHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1O ZINC000071614264 343965829 /nfs/dbraw/zinc/96/58/29/343965829.db2.gz 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Cc1cccnc1CN1[C@@H](C)CCC[C@H]1CO ZINC000272656737 179379333 /nfs/dbraw/zinc/37/93/33/179379333.db2.gz NZCFHTQEDOBEAI-STQMWFEESA-N 0 3 234.343 2.125 50 0 BEAAHN CC(C)(N)c1cccc(Br)n1 ZINC000083298933 349984955 /nfs/dbraw/zinc/98/49/55/349984955.db2.gz JLHDHZUPTYHJFU-UHFFFAOYSA-N 0 3 215.094 2.038 50 0 BEAAHN CCOc1cc(Br)ccc1CN ZINC000037475487 348619375 /nfs/dbraw/zinc/61/93/75/348619375.db2.gz NFMGEYSLVHYMFT-UHFFFAOYSA-N 0 3 230.105 2.307 50 0 BEAAHN Cc1n[nH]cc1CN[C@H]1CCc2ccccc21 ZINC000037878788 179856838 /nfs/dbraw/zinc/85/68/38/179856838.db2.gz YPRXJYOHGHDTGF-AWEZNQCLSA-N 0 3 227.311 2.495 50 0 BEAAHN CC(=O)C[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000031456432 350167376 /nfs/dbraw/zinc/16/73/76/350167376.db2.gz GMCSAFFOGUXWON-ZDUSSCGKSA-N 0 3 228.295 2.334 50 0 BEAAHN Cc1nc[nH]c1CN(C)C1Cc2ccccc2C1 ZINC000065372521 180120487 /nfs/dbraw/zinc/12/04/87/180120487.db2.gz VCFZGSXVDYUFOF-UHFFFAOYSA-N 0 3 241.338 2.317 50 0 BEAAHN Cc1ncsc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000230307988 180316310 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NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000091695456 181475899 /nfs/dbraw/zinc/47/58/99/181475899.db2.gz HCDVODVEQJRQGX-UHFFFAOYSA-N 0 3 210.586 2.213 50 0 BEAAHN C#C[C@@]1(O)CCCC[C@H]1NCc1ccccc1 ZINC000217363509 371943297 /nfs/dbraw/zinc/94/32/97/371943297.db2.gz DERKTTBDJVCMFS-HUUCEWRRSA-N 0 3 229.323 2.083 50 0 BEAAHN CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC000040461911 373281254 /nfs/dbraw/zinc/28/12/54/373281254.db2.gz GQJDUQMGANBWHT-AWEZNQCLSA-N 0 3 246.354 2.209 50 0 BEAAHN CN(CCc1ccccc1)C(=O)[C@@H](N)C(C)(C)C ZINC000040468079 373283338 /nfs/dbraw/zinc/28/33/38/373283338.db2.gz HWSFJCMKUNAZJL-CYBMUJFWSA-N 0 3 248.370 2.061 50 0 BEAAHN CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000037654975 169007002 /nfs/dbraw/zinc/00/70/02/169007002.db2.gz KKWPFLRUMSAEPL-SRVKXCTJSA-N 0 3 226.364 2.199 50 0 BEAAHN OC[C@@H]1CCCN1Cc1cccc(Cl)c1 ZINC000000277118 183120207 /nfs/dbraw/zinc/12/02/07/183120207.db2.gz IXQJBLJHJCIFBR-LBPRGKRZSA-N 0 3 225.719 2.297 50 0 BEAAHN O[C@@H]1CCN(Cc2csc3c2CCCC3)C1 ZINC000020321290 183200433 /nfs/dbraw/zinc/20/04/33/183200433.db2.gz TXWJJMPDEUJYQX-LLVKDONJSA-N 0 3 237.368 2.194 50 0 BEAAHN O[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000048332840 183193981 /nfs/dbraw/zinc/19/39/81/183193981.db2.gz ONEJUSKITDRDJT-CQSZACIVSA-N 0 3 242.322 2.192 50 0 BEAAHN O[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC000293274600 183236264 /nfs/dbraw/zinc/23/62/64/183236264.db2.gz VDEWXOYBSKXBQI-ZDUSSCGKSA-N 0 3 223.291 2.173 50 0 BEAAHN CCCN(CC1CC1)C(=O)[C@@H](N)CC(C)C ZINC000036200210 169135552 /nfs/dbraw/zinc/13/55/52/169135552.db2.gz UUSQNMNSVNMAPY-LBPRGKRZSA-N 0 3 226.364 2.008 50 0 BEAAHN Oc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000126516 183282737 /nfs/dbraw/zinc/28/27/37/183282737.db2.gz CCDVLJXVHHTZCB-LBPRGKRZSA-N 0 3 228.295 2.328 50 0 biogenic BEAAHN CCCN(CCO)Cc1cccc(F)c1 ZINC000000278558 169166690 /nfs/dbraw/zinc/16/66/90/169166690.db2.gz MQHCPZWITJKWFL-UHFFFAOYSA-N 0 3 211.280 2.030 50 0 BEAAHN CCCN(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000069452391 169178652 /nfs/dbraw/zinc/17/86/52/169178652.db2.gz YBXQWRPVZBJGHE-AWEZNQCLSA-N 0 3 234.343 2.473 50 0 BEAAHN c1cc(CNC2CC2)cc(OC[C@H]2CCOC2)c1 ZINC000041079128 183348951 /nfs/dbraw/zinc/34/89/51/183348951.db2.gz LFYHNODCPAKSQV-ZDUSSCGKSA-N 0 3 247.338 2.354 50 0 BEAAHN CCCN[C@H](C)C(=O)Nc1ccccc1C ZINC000001530817 169284911 /nfs/dbraw/zinc/28/49/11/169284911.db2.gz MVFGUOIZUNYYSO-LLVKDONJSA-N 0 3 220.316 2.322 50 0 fda BEAAHN CCCNCc1ccc(OC)c(OC)c1OC ZINC000007262373 169266587 /nfs/dbraw/zinc/26/65/87/169266587.db2.gz ANKQTATYHPSMFQ-UHFFFAOYSA-N 0 3 239.315 2.212 50 0 BEAAHN c1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000000134518 183397044 /nfs/dbraw/zinc/39/70/44/183397044.db2.gz AOAMQMAEEUONRT-UHFFFAOYSA-N 0 3 233.311 2.026 50 0 BEAAHN CC[C@@H]1CN(CCc2ccccn2)CCS1 ZINC000076073845 171082805 /nfs/dbraw/zinc/08/28/05/171082805.db2.gz PZZBAFVBRNPDBW-CYBMUJFWSA-N 0 3 236.384 2.452 50 0 BEAAHN c1cc2n(c1)CCN[C@H]2Cc1ccccc1 ZINC000000186715 383842528 /nfs/dbraw/zinc/84/25/28/383842528.db2.gz LHCUTESRDMXEBA-ZDUSSCGKSA-N 0 3 212.296 2.375 50 0 BEAAHN COC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000000277335 383850457 /nfs/dbraw/zinc/85/04/57/383850457.db2.gz VSUPXUIIYYFQDG-UHFFFAOYSA-N 0 3 233.311 2.459 50 0 BEAAHN N[C@H]1C[C@H](C(F)(F)F)Oc2ccccc21 ZINC000066444946 383864366 /nfs/dbraw/zinc/86/43/66/383864366.db2.gz CIXHTAFKIGIRDM-IONNQARKSA-N 0 3 217.190 2.400 50 0 BEAAHN NCc1ccc(OC(F)F)cc1OC(F)F ZINC000035625619 383866156 /nfs/dbraw/zinc/86/61/56/383866156.db2.gz UDENCIYMRAJLEI-UHFFFAOYSA-N 0 3 239.168 2.348 50 0 BEAAHN CC(C)=Cc1nc(CC2CCN(C)CC2)no1 ZINC000067432879 383923810 /nfs/dbraw/zinc/92/38/10/383923810.db2.gz ZDRDILPJIBMONR-UHFFFAOYSA-N 0 3 235.331 2.377 50 0 BEAAHN CC(C)[C@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000036969005 383924056 /nfs/dbraw/zinc/92/40/56/383924056.db2.gz NEFNANGNQCAHHR-WDEREUQCSA-N 0 3 232.331 2.424 50 0 BEAAHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000037020916 383931465 /nfs/dbraw/zinc/93/14/65/383931465.db2.gz RSAGOSYIIJQOST-NKWVEPMBSA-N 0 3 246.763 2.316 50 0 BEAAHN CCOCCN[C@@H]1CCc2ccccc21 ZINC000036229050 383889432 /nfs/dbraw/zinc/88/94/32/383889432.db2.gz ZMGGTJQHNFMWHA-CYBMUJFWSA-N 0 3 205.301 2.300 50 0 BEAAHN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000036383202 383902077 /nfs/dbraw/zinc/90/20/77/383902077.db2.gz OERBUQKWFDTHOF-WCBMZHEXSA-N 0 3 233.233 2.260 50 0 BEAAHN CC(C)C[C@@H]1CCN(Cc2cncn2C)C1 ZINC000067846871 383954373 /nfs/dbraw/zinc/95/43/73/383954373.db2.gz QYNRSWHMIUEAHC-LBPRGKRZSA-N 0 3 221.348 2.288 50 0 BEAAHN c1c([C@@H]2CC=CCC2)nnn1CCN1CCCC1 ZINC000067884982 383956827 /nfs/dbraw/zinc/95/68/27/383956827.db2.gz LKGYPNGBVBVDOD-CYBMUJFWSA-N 0 3 246.358 2.198 50 0 BEAAHN c1ccc(CNC2=NCCCS2)cc1 ZINC000003350352 384004347 /nfs/dbraw/zinc/00/43/47/384004347.db2.gz KVFOICMSGAUPBK-UHFFFAOYSA-N 0 3 206.314 2.269 50 0 BEAAHN COC[C@@H](C)Oc1cccc(CNC2CC2)c1 ZINC000070375323 384103133 /nfs/dbraw/zinc/10/31/33/384103133.db2.gz XRCMPZGZFDMHGI-LLVKDONJSA-N 0 3 235.327 2.352 50 0 BEAAHN Cc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000006814343 384168696 /nfs/dbraw/zinc/16/86/96/384168696.db2.gz ZWICJSHDHYQWCY-UHFFFAOYSA-N 0 3 246.354 2.211 50 0 BEAAHN Cc1ncccc1CN(C)CCc1ccncc1 ZINC000097375301 384178583 /nfs/dbraw/zinc/17/85/83/384178583.db2.gz AWSUBLILZAGFOE-UHFFFAOYSA-N 0 3 241.338 2.460 50 0 BEAAHN CCO[C@@H]1CCCN(CCc2ccccn2)C1 ZINC000071915701 384191269 /nfs/dbraw/zinc/19/12/69/384191269.db2.gz HMDDTXJRIUYSPG-CQSZACIVSA-N 0 3 234.343 2.125 50 0 BEAAHN CCO[C@H]1CCCN(CCc2ccccn2)C1 ZINC000071915702 384192405 /nfs/dbraw/zinc/19/24/05/384192405.db2.gz HMDDTXJRIUYSPG-AWEZNQCLSA-N 0 3 234.343 2.125 50 0 BEAAHN CC(C)(C)OC(=O)N1CCN[C@@H]2CCCC[C@H]21 ZINC000072210185 384200292 /nfs/dbraw/zinc/20/02/92/384200292.db2.gz URXTVALAEXFDQW-GHMZBOCLSA-N 0 3 240.347 2.138 50 0 BEAAHN C[C@@H](N)c1nc2ccccc2n1C(F)F ZINC000009738317 384263493 /nfs/dbraw/zinc/26/34/93/384263493.db2.gz IIYRQEHOCIXDBN-ZCFIWIBFSA-N 0 3 211.215 2.451 50 0 BEAAHN NCc1ncc(Cl)cc1C(F)(F)F ZINC000083428642 384304245 /nfs/dbraw/zinc/30/42/45/384304245.db2.gz UOGQGFLDIWWRKZ-UHFFFAOYSA-N 0 3 210.586 2.213 50 0 BEAAHN Cc1ccc(OC[C@@H](O)CN2CCCC2)cc1C ZINC000000448047 384326459 /nfs/dbraw/zinc/32/64/59/384326459.db2.gz HWXGDJDLGDWZLC-AWEZNQCLSA-N 0 3 249.354 2.139 50 0 BEAAHN CN(C)CCOc1ccc(C(F)(F)F)cc1N ZINC000014629440 384396418 /nfs/dbraw/zinc/39/64/18/384396418.db2.gz QPDDGJVGQBJBFD-UHFFFAOYSA-N 0 3 248.248 2.228 50 0 BEAAHN c1coc(CNC[C@@H]2CCCn3ccnc32)c1 ZINC000084432776 384397461 /nfs/dbraw/zinc/39/74/61/384397461.db2.gz HSRGJVOEQOMLFN-NSHDSACASA-N 0 3 231.299 2.143 50 0 BEAAHN Cc1n[nH]c(C)c1-c1ccc(CN(C)C)cc1O ZINC000096165504 384439838 /nfs/dbraw/zinc/43/98/38/384439838.db2.gz UPBCSNRQIDNHJO-UHFFFAOYSA-N 0 3 245.326 2.461 50 0 BEAAHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)N)c1 ZINC000157437328 384462320 /nfs/dbraw/zinc/46/23/20/384462320.db2.gz GQYGDSBYCKWBAW-JSGCOSHPSA-N 0 3 246.354 2.314 50 0 BEAAHN CS[C@H]1CCC[C@H]1N(C)Cc1ccno1 ZINC000072896476 384486008 /nfs/dbraw/zinc/48/60/08/384486008.db2.gz QDLCEWFDBKAZHQ-MNOVXSKESA-N 0 3 226.345 2.391 50 0 BEAAHN CCN(CCN(C)C)Cc1cccc(F)c1 ZINC000019634338 384532030 /nfs/dbraw/zinc/53/20/30/384532030.db2.gz NRPFRYWAIPAMTP-UHFFFAOYSA-N 0 3 224.323 2.209 50 0 BEAAHN N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000049648358 384554139 /nfs/dbraw/zinc/55/41/39/384554139.db2.gz UHQDZBZXNKWKHF-SECBINFHSA-N 0 3 245.109 2.057 50 0 BEAAHN CC(C)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019789307 384537569 /nfs/dbraw/zinc/53/75/69/384537569.db2.gz GBGZEXABLMOBSA-UHFFFAOYSA-N 0 3 236.334 2.352 50 0 BEAAHN CC[C@@H](CO)N[C@H](C)c1ccccc1OC ZINC000020194860 384593925 /nfs/dbraw/zinc/59/39/25/384593925.db2.gz HTJFCOKMDJSZPA-MNOVXSKESA-N 0 3 223.316 2.117 50 0 BEAAHN COC[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000050544540 384632239 /nfs/dbraw/zinc/63/22/39/384632239.db2.gz OSKBIGUJYGLOBZ-SNVBAGLBSA-N 0 3 211.280 2.259 50 0 BEAAHN Cc1n[nH]cc1CCCN[C@@H](C)c1ccccn1 ZINC000050182404 384601037 /nfs/dbraw/zinc/60/10/37/384601037.db2.gz PSMVWIZCXHOBLN-LBPRGKRZSA-N 0 3 244.342 2.397 50 0 BEAAHN CC(C)C[C@H](N)C(=O)N(C)c1ccccc1 ZINC000011961099 384742327 /nfs/dbraw/zinc/74/23/27/384742327.db2.gz JBSVUHIVWWTHAN-LBPRGKRZSA-N 0 3 220.316 2.023 50 0 BEAAHN CN[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000054052912 384817751 /nfs/dbraw/zinc/81/77/51/384817751.db2.gz YUXAXRSHSXTJQR-LURJTMIESA-N 0 3 209.680 2.497 50 0 BEAAHN Cc1cnn([C@H](C)[C@H](C)NCc2ccccn2)c1 ZINC000069899407 384820358 /nfs/dbraw/zinc/82/03/58/384820358.db2.gz DKKVRUQSHZZPOY-QWHCGFSZSA-N 0 3 244.342 2.326 50 0 BEAAHN C[C@H](CO)N(C)Cc1ccc(Cl)c(F)c1 ZINC000189971903 384797510 /nfs/dbraw/zinc/79/75/10/384797510.db2.gz AXOKGBLKMBWUNC-MRVPVSSYSA-N 0 3 231.698 2.292 50 0 BEAAHN FC(F)(F)Oc1cccc([C@H]2CNCCO2)c1 ZINC000150329817 384979297 /nfs/dbraw/zinc/97/92/97/384979297.db2.gz JAZSAPUJUNVJPV-SNVBAGLBSA-N 0 3 247.216 2.246 50 0 BEAAHN NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000032497029 385167633 /nfs/dbraw/zinc/16/76/33/385167633.db2.gz IZHQBEMKODNZFF-GFCCVEGCSA-N 0 3 224.735 2.436 50 0 BEAAHN CN(CCc1nccs1)CCc1ccncc1 ZINC000096483885 385221164 /nfs/dbraw/zinc/22/11/64/385221164.db2.gz HCNOGFHYRAQQQK-UHFFFAOYSA-N 0 3 247.367 2.255 50 0 BEAAHN CN(C/C=C/c1ccccc1)CC1(CO)CC1 ZINC000065528068 385323687 /nfs/dbraw/zinc/32/36/87/385323687.db2.gz KVOPEOBOBYQNOM-VMPITWQZSA-N 0 3 231.339 2.404 50 0 BEAAHN CO[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000271184469 385799120 /nfs/dbraw/zinc/79/91/20/385799120.db2.gz MTESPZZUJJKHDV-JTQLQIEISA-N 0 3 211.330 2.277 50 0 BEAAHN C[C@@H](N)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000335015054 385970856 /nfs/dbraw/zinc/97/08/56/385970856.db2.gz WZRBUSFAKUYTTG-SSDOTTSWSA-N 0 3 228.242 2.084 50 0 BEAAHN C([C@H]1CCCCO1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000336715245 386431963 /nfs/dbraw/zinc/43/19/63/386431963.db2.gz ULJHWRYZHASEAS-MGPQQGTHSA-N 0 3 239.359 2.199 50 0 BEAAHN N[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000328579690 386529333 /nfs/dbraw/zinc/52/93/33/386529333.db2.gz WOFYMXJZAZQLKN-GFCCVEGCSA-N 0 3 203.285 2.015 50 0 BEAAHN c1ccc2oc(N[C@H]3CCN(C4CC4)C3)nc2c1 ZINC000044411829 386654411 /nfs/dbraw/zinc/65/44/11/386654411.db2.gz GOEGHMKQUMFJAG-JTQLQIEISA-N 0 3 243.310 2.476 50 0 BEAAHN CCN(CCOC)Cc1cccc(F)c1 ZINC000053401480 386938522 /nfs/dbraw/zinc/93/85/22/386938522.db2.gz NGNCPQNNHRHTKN-UHFFFAOYSA-N 0 3 211.280 2.294 50 0 BEAAHN CCOC(=O)[C@H]1CCN(C)C[C@H]1c1ccccc1 ZINC000253611805 387344326 /nfs/dbraw/zinc/34/43/26/387344326.db2.gz LJAPMASBQRQOCI-KBPBESRZSA-N 0 3 247.338 2.285 50 0 BEAAHN C[C@H]1CN(C[C@H]2CCCCO2)CC(C)(C)O1 ZINC000250044954 388167663 /nfs/dbraw/zinc/16/76/63/388167663.db2.gz HUCJBAAPTAWMBT-NWDGAFQWSA-N 0 3 227.348 2.055 50 0 BEAAHN COC[C@H](NC1CCOCC1)c1ccccc1 ZINC000089668680 388359331 /nfs/dbraw/zinc/35/93/31/388359331.db2.gz UFZZQHUSVSINFP-AWEZNQCLSA-N 0 3 235.327 2.143 50 0 BEAAHN C[C@H](NCc1ccncc1)[C@H](C)n1cccn1 ZINC000069372735 388415469 /nfs/dbraw/zinc/41/54/69/388415469.db2.gz CSIALOJBZURQKV-RYUDHWBXSA-N 0 3 230.315 2.017 50 0 BEAAHN Cc1cnn(C[C@H](C)NCc2cccs2)c1 ZINC000069493209 388417769 /nfs/dbraw/zinc/41/77/69/388417769.db2.gz UKMFDKJYQBFOQL-NSHDSACASA-N 0 3 235.356 2.431 50 0 BEAAHN Cn1cc([C@H]2CCCN2C[C@@H]2CCCCO2)cn1 ZINC000069655535 388422710 /nfs/dbraw/zinc/42/27/10/388422710.db2.gz SRKTXZMNRGLNPO-UONOGXRCSA-N 0 3 249.358 2.126 50 0 BEAAHN Cn1cc([C@@H]2CCCN2C[C@@H]2CCCCO2)cn1 ZINC000069655534 388422799 /nfs/dbraw/zinc/42/27/99/388422799.db2.gz SRKTXZMNRGLNPO-KBPBESRZSA-N 0 3 249.358 2.126 50 0 BEAAHN CS[C@@H]1CCC[C@H]1N(C)Cc1ccno1 ZINC000110646540 388648232 /nfs/dbraw/zinc/64/82/32/388648232.db2.gz QDLCEWFDBKAZHQ-GHMZBOCLSA-N 0 3 226.345 2.391 50 0 BEAAHN CCN(CC(C)(C)O)[C@@H](C)c1ccccn1 ZINC000095978708 388799964 /nfs/dbraw/zinc/79/99/64/388799964.db2.gz AMBUUBMDAMRNRR-NSHDSACASA-N 0 3 222.332 2.235 50 0 BEAAHN COCCN(Cc1cccc(O)c1)CC1CC1 ZINC000095396592 388765589 /nfs/dbraw/zinc/76/55/89/388765589.db2.gz WPJOYEKPXGNRSG-UHFFFAOYSA-N 0 3 235.327 2.251 50 0 BEAAHN Cc1csc(CNC(C)(C)C[C@H](C)CO)n1 ZINC000521396551 322818717 /nfs/dbraw/zinc/81/87/17/322818717.db2.gz ZVBPCKZULFXWEV-VIFPVBQESA-N 0 3 242.388 2.338 50 0 BEAAHN COC(=O)c1cccc(CN2CCCCC2)c1 ZINC000004271666 397922341 /nfs/dbraw/zinc/92/23/41/397922341.db2.gz RJOMIJDQGNNOCO-UHFFFAOYSA-N 0 3 233.311 2.459 50 0 BEAAHN Cc1ccc(C)c(OC[C@H](O)CN2CCCC2)c1 ZINC000048368146 398011593 /nfs/dbraw/zinc/01/15/93/398011593.db2.gz CTKZZOKQHZDHHB-CQSZACIVSA-N 0 3 249.354 2.139 50 0 BEAAHN Cc1n[nH]c(C)c1CNCCc1ccsc1 ZINC000042351577 398013198 /nfs/dbraw/zinc/01/31/98/398013198.db2.gz UXMSIYMBWADYEY-UHFFFAOYSA-N 0 3 235.356 2.420 50 0 BEAAHN COC(CN1CC[C@H](c2cccc(C)c2)C1)OC ZINC000225452269 398072304 /nfs/dbraw/zinc/07/23/04/398072304.db2.gz TVZFKHABADJPKX-AWEZNQCLSA-N 0 3 249.354 2.403 50 0 BEAAHN Cc1noc(C)c1CCN1CCCCC1 ZINC000095975329 398089296 /nfs/dbraw/zinc/08/92/96/398089296.db2.gz BRUSPYPZZUWGER-UHFFFAOYSA-N 0 3 208.305 2.320 50 0 BEAAHN CC(C)OCCN[C@H](C)c1cncc(F)c1 ZINC000097084107 167243996 /nfs/dbraw/zinc/24/39/96/167243996.db2.gz QCSJEYCTWUKSBN-SNVBAGLBSA-N 0 3 226.295 2.296 50 0 BEAAHN Brc1ccc2c(c1)CNCC2 ZINC000019795724 166099340 /nfs/dbraw/zinc/09/93/40/166099340.db2.gz OYODEQFZAJVROF-UHFFFAOYSA-N 0 3 212.090 2.095 50 0 BEAAHN C[C@H](C(=O)N1CCC(C)CC1)N1CCCCC1 ZINC000012911873 168174886 /nfs/dbraw/zinc/17/48/86/168174886.db2.gz FGHSNDROTIIEOC-CYBMUJFWSA-N 0 3 238.375 2.119 50 0 BEAAHN CC1CCN(CCOc2ccccc2CO)CC1 ZINC000016488381 168182168 /nfs/dbraw/zinc/18/21/68/168182168.db2.gz MJCSFLIMAJEZSA-UHFFFAOYSA-N 0 3 249.354 2.290 50 0 BEAAHN CCNCC(=O)Nc1cc(Cl)ccc1C ZINC000001671737 170109668 /nfs/dbraw/zinc/10/96/68/170109668.db2.gz QJSYMOBIWVHCOH-UHFFFAOYSA-N 0 3 226.707 2.196 50 0 BEAAHN CCNCc1cc2cc(OC)ccc2[nH]c1=O ZINC000009185556 170126565 /nfs/dbraw/zinc/12/65/65/170126565.db2.gz QQVLRNHGDJDGMS-UHFFFAOYSA-N 0 3 232.283 2.059 50 0 BEAAHN CCOC(=O)C[C@H](N)c1ccc(CC)cc1 ZINC000003678293 170233990 /nfs/dbraw/zinc/23/39/90/170233990.db2.gz YOPLLJBWBSWFTJ-LBPRGKRZSA-N 0 3 221.300 2.202 50 0 BEAAHN CCOC(=O)C1Oc2ccccc2N=C1C ZINC000261494511 170282806 /nfs/dbraw/zinc/28/28/06/170282806.db2.gz ZMXWOKDTEWBXDI-NSHDSACASA-N 0 3 219.240 2.103 50 0 BEAAHN 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C[C@H](C[C@H](O)c1ccco1)NCc1cccn1C ZINC000095448842 384619248 /nfs/dbraw/zinc/61/92/48/384619248.db2.gz IYEFJRIFQICJPC-YPMHNXCESA-N 0 3 248.326 2.220 50 0 BEAAHN CC[C@](C)(NCCCO)c1nc(C)cs1 ZINC000072863359 384601694 /nfs/dbraw/zinc/60/16/94/384601694.db2.gz HMOVWNYLYNWACB-NSHDSACASA-N 0 3 228.361 2.049 50 0 BEAAHN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1 ZINC000083062113 384741722 /nfs/dbraw/zinc/74/17/22/384741722.db2.gz MVYNIUVDGBXVIE-MRVPVSSYSA-N 0 3 228.698 2.277 50 0 BEAAHN NC[C@@H](c1cccc(F)c1)N1CCCCC1 ZINC000022176734 384743860 /nfs/dbraw/zinc/74/38/60/384743860.db2.gz JQIARQLCOJMLDZ-ZDUSSCGKSA-N 0 3 222.307 2.311 50 0 BEAAHN Cc1cnn(CCNCc2ccsc2)c1 ZINC000069917887 384821929 /nfs/dbraw/zinc/82/19/29/384821929.db2.gz WWRMFONMNSMBKT-UHFFFAOYSA-N 0 3 221.329 2.043 50 0 BEAAHN COC[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000023066178 384786696 /nfs/dbraw/zinc/78/66/96/384786696.db2.gz BJJLLHRPTHUESQ-SECBINFHSA-N 0 3 219.206 2.352 50 0 BEAAHN c1ccc2[nH]c(NCCN3CCCCC3)nc2c1 ZINC000026439854 384872006 /nfs/dbraw/zinc/87/20/06/384872006.db2.gz XGRUAJIOKOJEQO-UHFFFAOYSA-N 0 3 244.342 2.461 50 0 BEAAHN CC[C@@H](C)[C@@](C)(O)CNCc1cccc(O)c1 ZINC000112380241 385048257 /nfs/dbraw/zinc/04/82/57/385048257.db2.gz KFMBWTSJYKVGBI-RISCZKNCSA-N 0 3 237.343 2.279 50 0 BEAAHN CC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000004764916 385223588 /nfs/dbraw/zinc/22/35/88/385223588.db2.gz ZTTPDEBBWJUCQQ-UHFFFAOYSA-N 0 3 217.312 2.488 50 0 BEAAHN C1=CC[C@H]([C@H]2OC[C@@H](CN3CCCC3)O2)CC1 ZINC000004124544 385285608 /nfs/dbraw/zinc/28/56/08/385285608.db2.gz DOIMBTOKESEEMG-MJBXVCDLSA-N 0 3 237.343 2.180 50 0 BEAAHN Cc1cccc(N2CCC(c3ccn[nH]3)CC2)n1 ZINC000157330114 386053935 /nfs/dbraw/zinc/05/39/35/386053935.db2.gz ACUYIADJCJXFAM-UHFFFAOYSA-N 0 3 242.326 2.497 50 0 BEAAHN Cc1cnc(CN(C)CC2CCCC2)cn1 ZINC000336698258 386381153 /nfs/dbraw/zinc/38/11/53/386381153.db2.gz IKEXIPXCFTVQCK-UHFFFAOYSA-N 0 3 219.332 2.407 50 0 BEAAHN CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000095403741 386520782 /nfs/dbraw/zinc/52/07/82/386520782.db2.gz 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CC(C)OC(=O)C[C@@H](N)c1ccccc1 ZINC000007784522 167161452 /nfs/dbraw/zinc/16/14/52/167161452.db2.gz VJZAAPSRRTVRQL-LLVKDONJSA-N 0 3 207.273 2.028 50 0 BEAAHN CC(C)OC1CCN(Cc2ccncc2)CC1 ZINC000096455366 167180124 /nfs/dbraw/zinc/18/01/24/167180124.db2.gz PZPAGYWJNZQXGW-UHFFFAOYSA-N 0 3 234.343 2.471 50 0 BEAAHN CC(C)N(C(=O)CN1CCC(C)CC1)C(C)C ZINC000042975689 168178090 /nfs/dbraw/zinc/17/80/90/168178090.db2.gz GWHLMDMVQGFWIP-UHFFFAOYSA-N 0 3 240.391 2.364 50 0 BEAAHN CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058210485 168241177 /nfs/dbraw/zinc/24/11/77/168241177.db2.gz RNAROLDWUKTJRO-JSGCOSHPSA-N 0 3 246.354 2.348 50 0 BEAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)C1 ZINC000003638751 168251153 /nfs/dbraw/zinc/25/11/53/168251153.db2.gz HSCOGTOYLILNHR-CQSZACIVSA-N 0 3 233.311 2.171 50 0 BEAAHN CCC(=O)O[C@]1(c2ccccc2)CN(C)C[C@@H]1C ZINC000095882815 168251194 /nfs/dbraw/zinc/25/11/94/168251194.db2.gz ZYPZDVCEBCVJGX-SWLSCSKDSA-N 0 3 247.338 2.417 50 0 BEAAHN CCN1C[C@@H](C)N(CCOCC(C)C)C[C@H]1C ZINC000330032664 170028849 /nfs/dbraw/zinc/02/88/49/170028849.db2.gz QJWPVOFOEUMKHM-ZIAGYGMSSA-N 0 3 242.407 2.074 50 0 BEAAHN CCOC(=O)C[C@@H](C)NCc1ccccc1 ZINC000002043242 170231262 /nfs/dbraw/zinc/23/12/62/170231262.db2.gz JENQQNDKUFOZAO-LLVKDONJSA-N 0 3 221.300 2.118 50 0 BEAAHN CCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000000237544 170279633 /nfs/dbraw/zinc/27/96/33/170279633.db2.gz CDMAVYOAEITWFQ-AWEZNQCLSA-N 0 3 247.338 2.462 50 0 BEAAHN CCOc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000000360108 170545595 /nfs/dbraw/zinc/54/55/95/170545595.db2.gz UPMNIKCKTURHHR-CQSZACIVSA-N 0 3 235.327 2.354 50 0 BEAAHN CNCc1[nH]c(-c2ccccc2)nc1Cl ZINC000067801456 173395581 /nfs/dbraw/zinc/39/55/81/173395581.db2.gz VOQBSRVHOAFRPN-UHFFFAOYSA-N 0 3 221.691 2.450 50 0 BEAAHN CNCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000076043939 173396076 /nfs/dbraw/zinc/39/60/76/173396076.db2.gz PAPGKGQRIPIDJF-UHFFFAOYSA-N 0 3 229.205 2.301 50 0 BEAAHN CNCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000076043939 173396078 /nfs/dbraw/zinc/39/60/78/173396078.db2.gz PAPGKGQRIPIDJF-UHFFFAOYSA-N 0 3 229.205 2.301 50 0 BEAAHN COCCCNCc1cc(Cl)ccc1OC ZINC000013718272 174247481 /nfs/dbraw/zinc/24/74/81/174247481.db2.gz PBAUEESSOXQSKU-UHFFFAOYSA-N 0 3 243.734 2.475 50 0 BEAAHN COCCN(Cc1ccccc1)C1CC1 ZINC000055971080 174298895 /nfs/dbraw/zinc/29/88/95/174298895.db2.gz UAVNLUXTSXLYRB-UHFFFAOYSA-N 0 3 205.301 2.297 50 0 BEAAHN COCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000019881779 174337723 /nfs/dbraw/zinc/33/77/23/174337723.db2.gz SHRADZNVKZJLIB-VIFPVBQESA-N 0 3 227.279 2.131 50 0 BEAAHN COc1cc(OC)c(OC)cc1CNC(C)C ZINC000004685525 175007498 /nfs/dbraw/zinc/00/74/98/175007498.db2.gz MMENPBXFCSMASE-UHFFFAOYSA-N 0 3 239.315 2.210 50 0 BEAAHN COc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000004018940 175181340 /nfs/dbraw/zinc/18/13/40/175181340.db2.gz SGUPGDYEMNTBMJ-LSDHHAIUSA-N 0 3 243.306 2.429 50 0 BEAAHN COc1ccc([C@H](C)NC[C@@H](C)OC)cc1 ZINC000164073093 175188555 /nfs/dbraw/zinc/18/85/55/175188555.db2.gz 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0 3 230.105 2.307 50 0 BEAAHN CC(C)N(C)CCOC(=O)c1cccc(F)c1 ZINC000002971993 188100652 /nfs/dbraw/zinc/10/06/52/188100652.db2.gz YONCAULYRNOUGB-UHFFFAOYSA-N 0 3 239.290 2.323 50 0 BEAAHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccccn1 ZINC000076325333 188116922 /nfs/dbraw/zinc/11/69/22/188116922.db2.gz KYZZETHYMGFHOY-ZIAGYGMSSA-N 0 3 234.343 2.207 50 0 BEAAHN CC(C)(C)[C@H](N)C(=O)N1CCCCCCC1 ZINC000040459004 188117720 /nfs/dbraw/zinc/11/77/20/188117720.db2.gz RIDHUMZIKFOLBX-LLVKDONJSA-N 0 3 226.364 2.153 50 0 BEAAHN CCC/C=C/CN1CCC(CC(=O)NC)CC1 ZINC000067460299 188129704 /nfs/dbraw/zinc/12/97/04/188129704.db2.gz WQWIYQRWQWZCEG-AATRIKPKSA-N 0 3 238.375 2.191 50 0 BEAAHN Fc1cccc(N[C@H]2CN3CCC2CC3)c1 ZINC000020440904 181002951 /nfs/dbraw/zinc/00/29/51/181002951.db2.gz AQAUMDKLWYDQIV-ZDUSSCGKSA-N 0 3 220.291 2.332 50 0 BEAAHN CNCC(=O)N(CC(C)C)C1CCCCC1 ZINC000153471467 363334836 /nfs/dbraw/zinc/33/48/36/363334836.db2.gz KGCLAZFXLLXESO-UHFFFAOYSA-N 0 3 226.364 2.023 50 0 BEAAHN C[C@@H](NCc1ccco1)[C@H](O)c1ccccc1 ZINC000019872290 355377700 /nfs/dbraw/zinc/37/77/00/355377700.db2.gz MUJKBFXRGFRWQR-RISCZKNCSA-N 0 3 231.295 2.491 50 0 BEAAHN NC(=O)[C@H]1CCCN(Cc2cccs2)C1 ZINC000082138921 181205480 /nfs/dbraw/zinc/20/54/80/181205480.db2.gz DUJCSUCQTBTAOI-VIFPVBQESA-N 0 3 224.329 2.495 50 0 BEAAHN NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 ZINC000026160331 181266604 /nfs/dbraw/zinc/26/66/04/181266604.db2.gz HVTQWFVIFXGMEQ-CYBMUJFWSA-N 0 3 232.327 2.089 50 0 BEAAHN C[C@]1(F)CCCN(C[C@@H]2CCCOC2)C1 ZINC000336215569 134136589 /nfs/dbraw/zinc/13/65/89/134136589.db2.gz XXCWTOVXPRBBAZ-RYUDHWBXSA-N 0 3 215.312 2.237 50 0 BEAAHN CC(C)CNCc1c(F)cncc1F ZINC000685946547 538885756 /nfs/dbraw/zinc/88/57/56/538885756.db2.gz SEVKHBKDLDIACR-UHFFFAOYSA-N 0 3 200.232 2.105 50 0 BEAAHN COc1ccccc1[C@H](C)NC[C@H](O)C(C)C ZINC000131287084 358668197 /nfs/dbraw/zinc/66/81/97/358668197.db2.gz JFGAWCMNCAFVJO-AAEUAGOBSA-N 0 3 237.343 2.363 50 0 BEAAHN CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000006638561 360541909 /nfs/dbraw/zinc/54/19/09/360541909.db2.gz KYTVYIIZJZFCLH-CYBMUJFWSA-N 0 3 223.291 2.201 50 0 BEAAHN CCCCSC1=NN/C(=C2/C=CC=N2)O1 ZINC000138291191 360548248 /nfs/dbraw/zinc/54/82/48/360548248.db2.gz MLXPCEVERRIBEL-CMDGGOBGSA-N 0 3 223.301 2.220 50 0 BEAAHN Cc1ccsc1[C@H](C)NC[C@H](C)[S@](C)=O ZINC000170062563 361386694 /nfs/dbraw/zinc/38/66/94/361386694.db2.gz FIGOVBXDXXRXPL-YHAQOWFVSA-N 0 3 245.413 2.474 50 0 BEAAHN NC1(c2ccc(Br)s2)CC1 ZINC000070598031 181333499 /nfs/dbraw/zinc/33/34/99/181333499.db2.gz LLCXHEISXBDLBY-UHFFFAOYSA-N 0 3 218.119 2.458 50 0 BEAAHN NCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000042205392 181347206 /nfs/dbraw/zinc/34/72/06/181347206.db2.gz BZWIYVSBKXFKRV-UHFFFAOYSA-N 0 3 238.375 2.439 50 0 BEAAHN Nc1ccncc1-c1ccnc(C(F)F)c1 ZINC000725273519 541340386 /nfs/dbraw/zinc/34/03/86/541340386.db2.gz IRROEANKQVPGGX-UHFFFAOYSA-N 0 3 221.210 2.494 50 0 BEAAHN O[C@@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000019885317 367968430 /nfs/dbraw/zinc/96/84/30/367968430.db2.gz KFJXQYDLLMQYLJ-GFCCVEGCSA-N 0 3 239.746 2.339 50 0 BEAAHN CCC[C@@H]1C=CCN1C(=O)c1cccc(CN)c1 ZINC000584894889 369042727 /nfs/dbraw/zinc/04/27/27/369042727.db2.gz QLLAPBWDSZEBTJ-CQSZACIVSA-N 0 3 244.338 2.326 50 0 BEAAHN CC(C)CNC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000106030552 369077741 /nfs/dbraw/zinc/07/77/41/369077741.db2.gz CCXLWFJUQCBFAC-FRRDWIJNSA-N 0 3 240.391 2.125 50 0 BEAAHN CCN1CCN(Cc2sccc2C)CC1 ZINC000019536459 371161608 /nfs/dbraw/zinc/16/16/08/371161608.db2.gz DQCVIQSITMBYDZ-UHFFFAOYSA-N 0 3 224.373 2.194 50 0 BEAAHN Cn1cc(CN(CC2CC2)C2CCC2)cn1 ZINC000390834494 371240081 /nfs/dbraw/zinc/24/00/81/371240081.db2.gz ZTTIKMSNZVFMAH-UHFFFAOYSA-N 0 3 219.332 2.185 50 0 BEAAHN Cc1cc(CN2CCCC[C@H]2CO)c(C)o1 ZINC000020535194 371292077 /nfs/dbraw/zinc/29/20/77/371292077.db2.gz UHGQOGYTNBQXJO-ZDUSSCGKSA-N 0 3 223.316 2.243 50 0 BEAAHN OC[C@@H]1CCCN1Cc1ccccc1Cl ZINC000011727387 183119956 /nfs/dbraw/zinc/11/99/56/183119956.db2.gz BFYLBYRGTUNXPO-NSHDSACASA-N 0 3 225.719 2.297 50 0 BEAAHN OC[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000000753210 183147914 /nfs/dbraw/zinc/14/79/14/183147914.db2.gz YLRIGDFDEMCLEU-CYBMUJFWSA-N 0 3 223.291 2.173 50 0 BEAAHN Oc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000126518 183283400 /nfs/dbraw/zinc/28/34/00/183283400.db2.gz CCDVLJXVHHTZCB-GFCCVEGCSA-N 0 3 228.295 2.328 50 0 biogenic BEAAHN CCCN1CCC[C@H](Nc2ncc(CC)cn2)C1 ZINC000095352773 169198496 /nfs/dbraw/zinc/19/84/96/169198496.db2.gz ZXTGLQQRSKBESN-ZDUSSCGKSA-N 0 3 248.374 2.325 50 0 BEAAHN c1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000000325036 183384164 /nfs/dbraw/zinc/38/41/64/183384164.db2.gz RJBMVNYIOPXWKS-JTQLQIEISA-N 0 3 215.256 2.161 50 0 BEAAHN CCCN[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000261668076 169274184 /nfs/dbraw/zinc/27/41/84/169274184.db2.gz CNKFKXDZGBSWQV-JTQLQIEISA-N 0 3 248.326 2.216 50 0 BEAAHN C[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057184 383820831 /nfs/dbraw/zinc/82/08/31/383820831.db2.gz RQHPADKWNYTHOH-SECBINFHSA-N 0 3 214.268 2.126 50 0 BEAAHN Cc1ccc(C)c(CN2CCC(O)CC2)c1 ZINC000000237065 383845118 /nfs/dbraw/zinc/84/51/18/383845118.db2.gz SKBLODULJPIARR-UHFFFAOYSA-N 0 3 219.328 2.260 50 0 BEAAHN CC(C)[C@H]1CC(C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345788 383856082 /nfs/dbraw/zinc/85/60/82/383856082.db2.gz ISECDCWBPMVGJG-NWDGAFQWSA-N 0 3 247.294 2.213 50 0 BEAAHN N[C@@H]1C[C@H](C(F)(F)F)Oc2ccccc21 ZINC000066444943 383864963 /nfs/dbraw/zinc/86/49/63/383864963.db2.gz CIXHTAFKIGIRDM-VXNVDRBHSA-N 0 3 217.190 2.400 50 0 BEAAHN CCOCCNCc1ccc(Cl)cc1 ZINC000035098178 383828896 /nfs/dbraw/zinc/82/88/96/383828896.db2.gz FTYJWEZRZJNPRH-UHFFFAOYSA-N 0 3 213.708 2.466 50 0 BEAAHN CC[C@@H](NCC(OC)OC)c1ccccc1 ZINC000037473008 383980358 /nfs/dbraw/zinc/98/03/58/383980358.db2.gz PQSZTUYTKQNOMF-GFCCVEGCSA-N 0 3 223.316 2.346 50 0 BEAAHN c1ccc(N[C@@H]2CN3CCC2CC3)cc1 ZINC000000264183 383990722 /nfs/dbraw/zinc/99/07/22/383990722.db2.gz UNRCHURPBOXKHQ-CYBMUJFWSA-N 0 3 202.301 2.193 50 0 BEAAHN CSCCCN(C)CCc1ccccn1 ZINC000002498320 383967525 /nfs/dbraw/zinc/96/75/25/383967525.db2.gz UMMSMNHJXXEMTG-UHFFFAOYSA-N 0 3 224.373 2.309 50 0 BEAAHN CC[C@H](c1ccc(F)cc1)N1CC[C@@H](O)C1 ZINC000089947817 384014002 /nfs/dbraw/zinc/01/40/02/384014002.db2.gz PHDUHBDXQQNBJM-CHWSQXEVSA-N 0 3 223.291 2.343 50 0 BEAAHN CC[C@H](CO)NCc1ccc(OC)c(Cl)c1 ZINC000004868193 384085779 /nfs/dbraw/zinc/08/57/79/384085779.db2.gz OJEAPEURWGWTMN-SNVBAGLBSA-N 0 3 243.734 2.209 50 0 BEAAHN FC(F)(F)c1ccc(OC2CNC2)cc1 ZINC000038580692 384088785 /nfs/dbraw/zinc/08/87/85/384088785.db2.gz RKANEZKQFZAZHZ-UHFFFAOYSA-N 0 3 217.190 2.056 50 0 BEAAHN CCc1ccccc1NC(=O)OCCN(C)C ZINC000004775572 384079838 /nfs/dbraw/zinc/07/98/38/384079838.db2.gz DMEYRDHBBOXHBL-UHFFFAOYSA-N 0 3 236.315 2.359 50 0 BEAAHN NC[C@H](c1ccc(F)cc1)N1CCCCC1 ZINC000038827583 384094105 /nfs/dbraw/zinc/09/41/05/384094105.db2.gz UVIGGJRPXIOCTF-CYBMUJFWSA-N 0 3 222.307 2.311 50 0 BEAAHN Clc1cccc(OCCN2CCCC2)n1 ZINC000071257070 384156193 /nfs/dbraw/zinc/15/61/93/384156193.db2.gz IMXWMMQQVHYIGX-UHFFFAOYSA-N 0 3 226.707 2.210 50 0 BEAAHN CC(=O)c1ccc(OCCCN(C)C)cc1 ZINC000031978624 384192203 /nfs/dbraw/zinc/19/22/03/384192203.db2.gz CNWCATHDRJEQRI-UHFFFAOYSA-N 0 3 221.300 2.220 50 0 BEAAHN Cc1nc(Cl)cc(C2CCN(C)CC2)n1 ZINC000072343834 384207751 /nfs/dbraw/zinc/20/77/51/384207751.db2.gz NPPHUMHZTRYDCT-UHFFFAOYSA-N 0 3 225.723 2.248 50 0 BEAAHN CC(C)(C)OC(=O)N1CCN[C@H]2CCCC[C@@H]21 ZINC000072210182 384200241 /nfs/dbraw/zinc/20/02/41/384200241.db2.gz URXTVALAEXFDQW-QWRGUYRKSA-N 0 3 240.347 2.138 50 0 BEAAHN CN(C)CCOC(=O)c1ccccc1Cl ZINC000004592063 384239371 /nfs/dbraw/zinc/23/93/71/384239371.db2.gz IVWVYDMMGYYQGW-UHFFFAOYSA-N 0 3 227.691 2.058 50 0 BEAAHN CCc1ccc(OC[C@@H](O)CN2CCCC2)cc1 ZINC000000035957 384272144 /nfs/dbraw/zinc/27/21/44/384272144.db2.gz SBZILANHCRARHT-AWEZNQCLSA-N 0 3 249.354 2.085 50 0 BEAAHN CCc1ccc(CN[C@@H](C)CCn2cncn2)o1 ZINC000097015225 384285063 /nfs/dbraw/zinc/28/50/63/384285063.db2.gz LDIFBCXPCLWOJR-NSHDSACASA-N 0 3 248.330 2.002 50 0 BEAAHN C[C@@H]1Cc2ccc(Br)cc2CN1 ZINC000013686849 384367982 /nfs/dbraw/zinc/36/79/82/384367982.db2.gz ROFNCPGXJWHJIZ-SSDOTTSWSA-N 0 3 226.117 2.483 50 0 BEAAHN Cc1ccc(CN2CCCSCC2)nc1 ZINC000097113622 384370118 /nfs/dbraw/zinc/37/01/18/384370118.db2.gz LPMIYKXCSJQXGA-UHFFFAOYSA-N 0 3 222.357 2.329 50 0 BEAAHN Cc1cc(N)cc(N2CCN(C(C)C)CC2)c1 ZINC000096300655 384452122 /nfs/dbraw/zinc/45/21/22/384452122.db2.gz RMXOEQNBXVIPIR-UHFFFAOYSA-N 0 3 233.359 2.108 50 0 BEAAHN Cc1cc(C)cc(C(=O)NC2CCN(C)CC2)c1 ZINC000016605144 384462549 /nfs/dbraw/zinc/46/25/49/384462549.db2.gz WRZVJUYESGTAIB-UHFFFAOYSA-N 0 3 246.354 2.127 50 0 BEAAHN N[C@@H]1COc2c1ccc(Br)c2Cl ZINC000097454911 384522302 /nfs/dbraw/zinc/52/23/02/384522302.db2.gz CPOQLCLUXZJVHX-ZCFIWIBFSA-N 0 3 248.507 2.495 50 0 BEAAHN CN(C)CCN(C)Cc1c(F)cccc1Cl ZINC000019634691 384532592 /nfs/dbraw/zinc/53/25/92/384532592.db2.gz JRLINUARDACVJA-UHFFFAOYSA-N 0 3 244.741 2.473 50 0 BEAAHN C1CCC(N2CCN(C3CCCC3)CC2)C1 ZINC000019900141 384552450 /nfs/dbraw/zinc/55/24/50/384552450.db2.gz XOYHALUXINCRHX-UHFFFAOYSA-N 0 3 222.376 2.489 50 0 BEAAHN N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000049648357 384553798 /nfs/dbraw/zinc/55/37/98/384553798.db2.gz UHQDZBZXNKWKHF-VIFPVBQESA-N 0 3 245.109 2.057 50 0 BEAAHN COC[C@@H](C)NCc1ccccc1Cl ZINC000019904327 384553856 /nfs/dbraw/zinc/55/38/56/384553856.db2.gz RTLDKPIWHYVMQN-SECBINFHSA-N 0 3 213.708 2.465 50 0 BEAAHN Cc1ccc([C@@H](CN)N2CCC(C)CC2)o1 ZINC000019771722 384537936 /nfs/dbraw/zinc/53/79/36/384537936.db2.gz WFSUKYMRSHULEI-GFCCVEGCSA-N 0 3 222.332 2.320 50 0 BEAAHN CN[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000020283634 384611253 /nfs/dbraw/zinc/61/12/53/384611253.db2.gz ZBQMTJZQSAUXMK-VHSXEESVSA-N 0 3 232.110 2.171 50 0 BEAAHN CC[C@H](CO)N[C@H](C)c1ccccc1OC ZINC000020194863 384593832 /nfs/dbraw/zinc/59/38/32/384593832.db2.gz HTJFCOKMDJSZPA-GHMZBOCLSA-N 0 3 223.316 2.117 50 0 BEAAHN Cc1c(CN(C(C)C)C(C)C)cnn1C ZINC000097048554 384599587 /nfs/dbraw/zinc/59/95/87/384599587.db2.gz ZREOXDYZYXPABZ-UHFFFAOYSA-N 0 3 209.337 2.347 50 0 BEAAHN CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 ZINC000021301008 384661665 /nfs/dbraw/zinc/66/16/65/384661665.db2.gz LSZJZDBPJNYEIE-LLVKDONJSA-N 0 3 242.363 2.241 50 0 BEAAHN NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000021967363 384712219 /nfs/dbraw/zinc/71/22/19/384712219.db2.gz IJANKGMHOUKLIW-UHFFFAOYSA-N 0 3 218.300 2.274 50 0 BEAAHN COC[C@@H](C)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000053196619 384773709 /nfs/dbraw/zinc/77/37/09/384773709.db2.gz FBPVWNYWJVFWDM-LLVKDONJSA-N 0 3 245.326 2.201 50 0 BEAAHN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1CN(C)C ZINC000024809699 384832790 /nfs/dbraw/zinc/83/27/90/384832790.db2.gz JWAIKRXJJRYWQJ-PWSUYJOCSA-N 0 3 232.327 2.343 50 0 BEAAHN CC[C@@H](C)CN(CC)Cc1cc(=O)c(O)co1 ZINC000096452044 384941593 /nfs/dbraw/zinc/94/15/93/384941593.db2.gz AGPLSIZLPZCXFV-SNVBAGLBSA-N 0 3 239.315 2.213 50 0 BEAAHN CN(CCOc1ccccc1)C[C@@H]1CCCO1 ZINC000057993724 384975863 /nfs/dbraw/zinc/97/58/63/384975863.db2.gz POMCSCBFLFPALE-AWEZNQCLSA-N 0 3 235.327 2.176 50 0 BEAAHN NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000032445521 385163007 /nfs/dbraw/zinc/16/30/07/385163007.db2.gz UZOHZMOJLIOLON-LBPRGKRZSA-N 0 3 224.735 2.436 50 0 BEAAHN C1=CC[C@H]([C@@H]2OC[C@@H](CN3CCCC3)O2)CC1 ZINC000001163592 385279402 /nfs/dbraw/zinc/27/94/02/385279402.db2.gz DOIMBTOKESEEMG-BFHYXJOUSA-N 0 3 237.343 2.180 50 0 BEAAHN CN(C)CCN(C)C/C=C/c1ccccc1 ZINC000019633813 385283419 /nfs/dbraw/zinc/28/34/19/385283419.db2.gz VVRCWJSUFOTGJE-JXMROGBWSA-N 0 3 218.344 2.193 50 0 BEAAHN CO[C@H]1CCN(CCOc2ccc(C)cc2C)C1 ZINC000252489425 385652149 /nfs/dbraw/zinc/65/21/49/385652149.db2.gz JQXNPRQOOYTNDC-AWEZNQCLSA-N 0 3 249.354 2.403 50 0 BEAAHN CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000052635500 385745055 /nfs/dbraw/zinc/74/50/55/385745055.db2.gz CCXLWFJUQCBFAC-AVGNSLFASA-N 0 3 240.391 2.125 50 0 BEAAHN COc1ccc(CN2CCCC2)c(OC)c1 ZINC000000819200 385941176 /nfs/dbraw/zinc/94/11/76/385941176.db2.gz VNCZLJVASDQDBK-UHFFFAOYSA-N 0 3 221.300 2.300 50 0 BEAAHN CCOC[C@@H](NCc1c(C)noc1C)C(C)C ZINC000233732267 385993624 /nfs/dbraw/zinc/99/36/24/385993624.db2.gz DVVXNGISOJXGOR-CYBMUJFWSA-N 0 3 240.347 2.442 50 0 BEAAHN COC[C@@H](C)NCc1cc(Cl)ccc1OC ZINC000035180118 386574509 /nfs/dbraw/zinc/57/45/09/386574509.db2.gz TVFDSYLPHGBJRP-SECBINFHSA-N 0 3 243.734 2.473 50 0 BEAAHN COc1cc(CNC2CCCCC2)on1 ZINC000585116814 386672556 /nfs/dbraw/zinc/67/25/56/386672556.db2.gz JHZKBELLPKYFFR-UHFFFAOYSA-N 0 3 210.277 2.106 50 0 BEAAHN COC(=O)CCN1CCC[C@H]1c1cccs1 ZINC000053399546 386910936 /nfs/dbraw/zinc/91/09/36/386910936.db2.gz JPRSHRHMVWQQQF-JTQLQIEISA-N 0 3 239.340 2.448 50 0 BEAAHN c1ccc2c(c1)C[C@@H](NCc1cccnc1)CO2 ZINC000019228418 387129000 /nfs/dbraw/zinc/12/90/00/387129000.db2.gz ZEGHAZVEILCBSB-CQSZACIVSA-N 0 3 240.306 2.175 50 0 BEAAHN NCc1ccc(Br)c(F)c1F ZINC000098210852 387155548 /nfs/dbraw/zinc/15/55/48/387155548.db2.gz SDJRJURTLACTFQ-UHFFFAOYSA-N 0 3 222.032 2.186 50 0 BEAAHN Cc1ccc(C(=O)O[C@H](C)CN(C)C)cc1 ZINC000004776114 387234686 /nfs/dbraw/zinc/23/46/86/387234686.db2.gz FQUDXVSLQCQCDQ-LLVKDONJSA-N 0 3 221.300 2.102 50 0 BEAAHN CN(Cc1cccnc1)C[C@H](O)c1ccccc1 ZINC000037485755 387258290 /nfs/dbraw/zinc/25/82/90/387258290.db2.gz HRNXXTJKDNNJJD-HNNXBMFYSA-N 0 3 242.322 2.247 50 0 BEAAHN CCc1ccc(Oc2cc(NN)ncn2)cc1 ZINC000051357953 387364727 /nfs/dbraw/zinc/36/47/27/387364727.db2.gz WRYJLVAPJDOPFS-UHFFFAOYSA-N 0 3 230.271 2.117 50 0 BEAAHN CN(C)CCNc1nc2ccc(F)cc2s1 ZINC000085933460 387455017 /nfs/dbraw/zinc/45/50/17/387455017.db2.gz BXNNZWUQXWGDAH-UHFFFAOYSA-N 0 3 239.319 2.409 50 0 BEAAHN Cc1n[nH]c(C)c1CNCc1cccs1 ZINC000036864723 387964227 /nfs/dbraw/zinc/96/42/27/387964227.db2.gz JSZKANHEOSFRQQ-UHFFFAOYSA-N 0 3 221.329 2.378 50 0 BEAAHN Cc1cnn(CCNCc2cccc(F)c2)c1 ZINC000069901712 387980892 /nfs/dbraw/zinc/98/08/92/387980892.db2.gz PIBHZNMQMPCXHY-UHFFFAOYSA-N 0 3 233.290 2.120 50 0 BEAAHN CC[C@H](COC)N[C@H](C)c1cccc(O)c1 ZINC000070624104 388114866 /nfs/dbraw/zinc/11/48/66/388114866.db2.gz APXZVVKEUNQPTN-ZYHUDNBSSA-N 0 3 223.316 2.468 50 0 BEAAHN Cc1nc([C@@H]2CCCN(Cc3ccco3)C2)n[nH]1 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CCCC[C@H](CC)COC[C@H](O)CN(C)C ZINC000085391996 344205389 /nfs/dbraw/zinc/20/53/89/344205389.db2.gz GZNYCROFCICNNW-QWHCGFSZSA-N 0 3 231.380 2.142 50 0 BEAAHN C[C@H]1CC(C)(C)O[C@H](CN2CCCCC2)O1 ZINC000000312614 344691121 /nfs/dbraw/zinc/69/11/21/344691121.db2.gz ZNQPYRHZMFBSIC-NWDGAFQWSA-N 0 3 227.348 2.402 50 0 BEAAHN CC(C)N(C)CCOC(=O)/C=C\c1ccco1 ZINC000033746459 344927369 /nfs/dbraw/zinc/92/73/69/344927369.db2.gz ZDWALRWNPMUICD-SREVYHEPSA-N 0 3 237.299 2.176 50 0 BEAAHN C[C@@H](COc1ccc(C=O)cc1)CN(C)C ZINC000033421495 345794977 /nfs/dbraw/zinc/79/49/77/345794977.db2.gz QWMWJJACIDLGKD-LLVKDONJSA-N 0 3 221.300 2.076 50 0 BEAAHN CCN(CC)CC[S@@](=O)c1ccccc1 ZINC000005708407 346074755 /nfs/dbraw/zinc/07/47/55/346074755.db2.gz WPQTXOHIHPUDMM-HNNXBMFYSA-N 0 3 225.357 2.136 50 0 BEAAHN Cc1nn(-c2cccc(C)c2)c(C)c1CN ZINC000019505802 179000673 /nfs/dbraw/zinc/00/06/73/179000673.db2.gz TWPJZJCHCXRZAU-UHFFFAOYSA-N 0 3 215.300 2.256 50 0 BEAAHN Cc1cn2cccc([C@@H]3CCCN3C)c2n1 ZINC000005285995 346181114 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BEAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN ZINC000006667693 180328247 /nfs/dbraw/zinc/32/82/47/180328247.db2.gz JRTROBVFWOFOGT-UHFFFAOYSA-N 0 3 219.263 2.087 50 0 BEAAHN CC(C)c1ccc(N2C[C@@H](CN)OC2=O)cc1 ZINC000019669074 351059536 /nfs/dbraw/zinc/05/95/36/351059536.db2.gz VXJQJZUNTZCMJN-GFCCVEGCSA-N 0 3 234.299 2.094 50 0 BEAAHN Fc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000000357574 180969151 /nfs/dbraw/zinc/96/91/51/180969151.db2.gz SLYWRVMUMWKSOX-GFCCVEGCSA-N 0 3 209.264 2.094 50 0 BEAAHN Cc1nc(N)sc1CN1CCC(C)CC1 ZINC000019722530 188461752 /nfs/dbraw/zinc/46/17/52/188461752.db2.gz DTNZBOZRJHLVHB-UHFFFAOYSA-N 0 3 225.361 2.266 50 0 BEAAHN Fc1ccccc1CNC1CCOCC1 ZINC000036304052 181011714 /nfs/dbraw/zinc/01/17/14/181011714.db2.gz VJDVDWXYFZNXLH-UHFFFAOYSA-N 0 3 209.264 2.094 50 0 BEAAHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)o1 ZINC000252482805 363370530 /nfs/dbraw/zinc/37/05/30/363370530.db2.gz DODIDWUMCFJTLM-NWDGAFQWSA-N 0 3 237.299 2.019 50 0 BEAAHN N=C(NCc1ccccc1)c1ccccn1 ZINC000033359740 181198848 /nfs/dbraw/zinc/19/88/48/181198848.db2.gz VZXCONHIWIEMCK-UHFFFAOYSA-N 0 3 211.268 2.197 50 0 BEAAHN C[C@]12C[C@H]1CCC[C@@H]2NCc1cc[nH]n1 ZINC000380267061 356168803 /nfs/dbraw/zinc/16/88/03/356168803.db2.gz UPPFAQNTPJLIFA-USWWRNFRSA-N 0 3 205.305 2.078 50 0 BEAAHN NC(=O)[C@@H](c1ccccc1)N1CCCCCCC1 ZINC000012881307 181266547 /nfs/dbraw/zinc/26/65/47/181266547.db2.gz LRYVACGIHJTLSP-CQSZACIVSA-N 0 3 246.354 2.479 50 0 BEAAHN C[C@@]1(F)CCCN(CC[C@H]2CCOC2)C1 ZINC000336215586 134136673 /nfs/dbraw/zinc/13/66/73/134136673.db2.gz ZOFZVOAPDCWYPB-NWDGAFQWSA-N 0 3 215.312 2.237 50 0 BEAAHN Cc1csc(SCCN(C)C)n1 ZINC000040456999 357270260 /nfs/dbraw/zinc/27/02/60/357270260.db2.gz HDLDRYMZXCDUKW-UHFFFAOYSA-N 0 3 202.348 2.105 50 0 BEAAHN C[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000022578812 357973192 /nfs/dbraw/zinc/97/31/92/357973192.db2.gz WUXHYYCMUHZPHZ-ZDUSSCGKSA-N 0 3 218.344 2.038 50 0 BEAAHN COc1ccccc1[C@@H](C)NC[C@@H](O)C(C)C ZINC000131287286 358667776 /nfs/dbraw/zinc/66/77/76/358667776.db2.gz JFGAWCMNCAFVJO-DGCLKSJQSA-N 0 3 237.343 2.363 50 0 BEAAHN Cn1cnc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000252536527 363634269 /nfs/dbraw/zinc/63/42/69/363634269.db2.gz IUQBEXLAQRMEDP-WCQYABFASA-N 0 3 219.332 2.185 50 0 BEAAHN NC1=NN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001845036 181339599 /nfs/dbraw/zinc/33/95/99/181339599.db2.gz CPXGGWXJNQSFEP-UHFFFAOYSA-N 0 3 229.205 2.188 50 0 in-vivo BEAAHN Cc1cccc(NC(=O)OCCN(C)C)c1 ZINC000019861841 368371722 /nfs/dbraw/zinc/37/17/22/368371722.db2.gz WBPYDNXPLLAIQA-UHFFFAOYSA-N 0 3 222.288 2.105 50 0 BEAAHN CCC[C@H](NCC)C(=O)c1ccc2c(c1)OCO2 ZINC000199620405 368353791 /nfs/dbraw/zinc/35/37/91/368353791.db2.gz VERDHJIMZYXGIW-NSHDSACASA-N 0 3 249.310 2.376 50 0 in-vitro BEAAHN Fc1c(Br)ccc2c1CCNC2 ZINC000216460772 368360986 /nfs/dbraw/zinc/36/09/86/368360986.db2.gz AUBCNXWUINQWCX-UHFFFAOYSA-N 0 3 230.080 2.234 50 0 BEAAHN CC[C@@H](O)CN[C@@H](C)c1cc(C)ccc1OC ZINC000096490816 371499927 /nfs/dbraw/zinc/49/99/27/371499927.db2.gz LRLAEVJOQRHNKF-NWDGAFQWSA-N 0 3 237.343 2.425 50 0 BEAAHN OCC1(NCc2ccc(Cl)cc2F)CCC1 ZINC000162985336 371902346 /nfs/dbraw/zinc/90/23/46/371902346.db2.gz RXAONVWVXDBIJB-UHFFFAOYSA-N 0 3 243.709 2.484 50 0 BEAAHN CCN(CC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000004311274 372201866 /nfs/dbraw/zinc/20/18/66/372201866.db2.gz YMNZYUAHDZFTPZ-VIFPVBQESA-N 0 3 225.288 2.469 50 0 BEAAHN CCCCN(CC)C(=O)[C@@H](N)C(C)(C)C ZINC000040458300 373276051 /nfs/dbraw/zinc/27/60/51/373276051.db2.gz KTBACJIQGMRAKB-SNVBAGLBSA-N 0 3 214.353 2.008 50 0 BEAAHN OC[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000000759084 183119562 /nfs/dbraw/zinc/11/95/62/183119562.db2.gz FPVOWHGMYGCDHV-LBPRGKRZSA-N 0 3 225.719 2.297 50 0 BEAAHN CCCN(C)CC(=O)N[C@H](C)CCC(C)C ZINC000069091848 169075029 /nfs/dbraw/zinc/07/50/29/169075029.db2.gz XRVYQGHAIOUHPI-GFCCVEGCSA-N 0 3 228.380 2.269 50 0 BEAAHN O[C@@H]1/C(=C/c2ccccc2)N2CCC1CC2 ZINC000012410255 183187182 /nfs/dbraw/zinc/18/71/82/183187182.db2.gz XCJLSGXSDDYLKZ-ZVHGMHCTSA-N 0 3 215.296 2.114 50 0 BEAAHN Oc1cccc(CNCC2(O)CCCCC2)c1 ZINC000071924563 183289946 /nfs/dbraw/zinc/28/99/46/183289946.db2.gz GUXAJFJNKLWXLL-UHFFFAOYSA-N 0 3 235.327 2.177 50 0 BEAAHN c1cc(CN[C@H]2CC3CCC2CC3)n[nH]1 ZINC000309011719 183353086 /nfs/dbraw/zinc/35/30/86/183353086.db2.gz SBMNPEJDAYGYFA-CBINBANVSA-N 0 3 205.305 2.078 50 0 BEAAHN CCC[C@@H](C)NC(=O)[C@H](C)N(C)CC(C)C ZINC000068334640 169368775 /nfs/dbraw/zinc/36/87/75/169368775.db2.gz IVZCPOVMYHCTIT-NEPJUHHUSA-N 0 3 228.380 2.268 50 0 BEAAHN c1nc2ccccc2n1CN1CCCCC1 ZINC000000073682 383824881 /nfs/dbraw/zinc/82/48/81/383824881.db2.gz LUNWKJHAANLIKU-UHFFFAOYSA-N 0 3 215.300 2.480 50 0 BEAAHN CN(C)CCOC(=O)c1cc2ccccc2o1 ZINC000000375730 383859071 /nfs/dbraw/zinc/85/90/71/383859071.db2.gz SNPIYYBRBKETNK-UHFFFAOYSA-N 0 3 233.267 2.151 50 0 BEAAHN CCOCCNCc1ccccc1Cl ZINC000035098226 383828838 /nfs/dbraw/zinc/82/88/38/383828838.db2.gz MXZKJWFUNIZMSO-UHFFFAOYSA-N 0 3 213.708 2.466 50 0 BEAAHN Cc1ccc(C(=O)O[C@H]2CN3CCC2CC3)cc1 ZINC000000135987 383832694 /nfs/dbraw/zinc/83/26/94/383832694.db2.gz KZDFOOLFZQGHQL-AWEZNQCLSA-N 0 3 245.322 2.246 50 0 BEAAHN CN(C)CCSc1nc2ccccc2o1 ZINC000001588702 383909635 /nfs/dbraw/zinc/90/96/35/383909635.db2.gz NRGIMNFVKHZTNJ-UHFFFAOYSA-N 0 3 222.313 2.482 50 0 BEAAHN CCN(CC)CCOC(=O)c1ccccc1 ZINC000001748022 383933258 /nfs/dbraw/zinc/93/32/58/383933258.db2.gz GEVPHAFTDXTZHY-UHFFFAOYSA-N 0 3 221.300 2.185 50 0 BEAAHN COC[C@@H](C)NCc1cccc(-c2cn[nH]c2)c1 ZINC000067689098 383935921 /nfs/dbraw/zinc/93/59/21/383935921.db2.gz XCNCGFPUOGQEGI-LLVKDONJSA-N 0 3 245.326 2.201 50 0 BEAAHN CN(C)CCNC(=O)c1cccc2ccccc21 ZINC000002005787 383943025 /nfs/dbraw/zinc/94/30/25/383943025.db2.gz BEUQPNDUGUHRKU-UHFFFAOYSA-N 0 3 242.322 2.131 50 0 BEAAHN Cc1cccc(CSC2=NCCN2)c1 ZINC000001994439 383943990 /nfs/dbraw/zinc/94/39/90/383943990.db2.gz OJCCCODTWJGHJO-UHFFFAOYSA-N 0 3 206.314 2.187 50 0 BEAAHN CN(C)CCOc1ccc(Br)cc1 ZINC000002564849 383975224 /nfs/dbraw/zinc/97/52/24/383975224.db2.gz MOVOYJFCKMYLHQ-UHFFFAOYSA-N 0 3 244.132 2.390 50 0 in-vitro BEAAHN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCNC3 ZINC000070451510 384107563 /nfs/dbraw/zinc/10/75/63/384107563.db2.gz FNMJZSKUMMNBNY-UHFFFAOYSA-N 0 3 248.713 2.136 50 0 BEAAHN CC[C@H](N)c1nccn1Cc1ccccc1 ZINC000071790785 384179443 /nfs/dbraw/zinc/17/94/43/384179443.db2.gz RBKIHBPQBBAGMX-LBPRGKRZSA-N 0 3 215.300 2.341 50 0 BEAAHN Cn1cc(CN[C@H]2CCCC(F)(F)C2)cn1 ZINC000336363715 384217574 /nfs/dbraw/zinc/21/75/74/384217574.db2.gz ZJXSEACKIIWDNQ-JTQLQIEISA-N 0 3 229.274 2.088 50 0 BEAAHN CN(CCOCc1ncc[nH]1)Cc1ccccc1 ZINC000408521632 384287768 /nfs/dbraw/zinc/28/77/68/384287768.db2.gz DMGJDMSBGKHAQA-UHFFFAOYSA-N 0 3 245.326 2.058 50 0 BEAAHN CCc1nocc1CN[C@H](C)[C@@H]1CCCOC1 ZINC000408524197 384290575 /nfs/dbraw/zinc/29/05/75/384290575.db2.gz RDKNCVQBTDRIRQ-GHMZBOCLSA-N 0 3 238.331 2.142 50 0 BEAAHN Cc1ccc(C(=O)[C@H]2CCCN2)cc1C ZINC000011630650 384292417 /nfs/dbraw/zinc/29/24/17/384292417.db2.gz XJSJGDSMDXGGTN-GFCCVEGCSA-N 0 3 203.285 2.238 50 0 BEAAHN CC[C@H](NCC1OCCO1)c1cccs1 ZINC000097110492 384371477 /nfs/dbraw/zinc/37/14/77/384371477.db2.gz MTQCIPYNPKJRCN-VIFPVBQESA-N 0 3 227.329 2.162 50 0 BEAAHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccco1)C2 ZINC000097084945 384325211 /nfs/dbraw/zinc/32/52/11/384325211.db2.gz BKOGVIJRUSKVKY-FZMZJTMJSA-N 0 3 249.310 2.055 50 0 BEAAHN CN(C)CCNc1nc2ccccc2s1 ZINC000012769457 384334110 /nfs/dbraw/zinc/33/41/10/384334110.db2.gz ZEOPEVDCXWALAX-UHFFFAOYSA-N 0 3 221.329 2.270 50 0 BEAAHN CC(C)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000019448005 384521783 /nfs/dbraw/zinc/52/17/83/384521783.db2.gz FQAZPIYVWCZFMZ-UHFFFAOYSA-N 0 3 236.334 2.352 50 0 BEAAHN CN(C)CCN(C)Cc1cccc(Cl)c1 ZINC000019607074 384527706 /nfs/dbraw/zinc/52/77/06/384527706.db2.gz DZUNYCHCNKWFPA-UHFFFAOYSA-N 0 3 226.751 2.333 50 0 BEAAHN c1ccc2c(c1)CCN[C@@H]2c1ccncc1 ZINC000019862805 384544887 /nfs/dbraw/zinc/54/48/87/384544887.db2.gz JFKYAEYYDOTEBD-CQSZACIVSA-N 0 3 210.280 2.317 50 0 biogenic BEAAHN NC[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000020225231 384603433 /nfs/dbraw/zinc/60/34/33/384603433.db2.gz NHSIPJWBPBZHNW-AWEZNQCLSA-N 0 3 242.322 2.338 50 0 BEAAHN FC(F)(F)c1ccc([C@H]2CNCCO2)cc1 ZINC000022200528 384742402 /nfs/dbraw/zinc/74/24/02/384742402.db2.gz OMFWOWNSVWSVBC-SNVBAGLBSA-N 0 3 231.217 2.366 50 0 BEAAHN NC[C@H](c1cccc(F)c1)N1CCCCC1 ZINC000022176732 384743536 /nfs/dbraw/zinc/74/35/36/384743536.db2.gz JQIARQLCOJMLDZ-CYBMUJFWSA-N 0 3 222.307 2.311 50 0 BEAAHN NCc1cccnc1N1CCc2ccccc21 ZINC000022174424 384745518 /nfs/dbraw/zinc/74/55/18/384745518.db2.gz VYJNMKUIENWOAI-UHFFFAOYSA-N 0 3 225.295 2.235 50 0 BEAAHN NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000083764337 384795656 /nfs/dbraw/zinc/79/56/56/384795656.db2.gz LWDALBLPFPHENJ-GFCCVEGCSA-N 0 3 216.284 2.069 50 0 BEAAHN c1csc(CNCc2cccnc2)c1 ZINC000055545154 384887575 /nfs/dbraw/zinc/88/75/75/384887575.db2.gz XMGNAIAARHUYBQ-UHFFFAOYSA-N 0 3 204.298 2.433 50 0 BEAAHN C[C@@H](N[C@@H](C)CCn1cncn1)c1ccco1 ZINC000095419476 384843855 /nfs/dbraw/zinc/84/38/55/384843855.db2.gz UGGJFTJDZVOQAP-WDEREUQCSA-N 0 3 234.303 2.001 50 0 BEAAHN CN(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000005003981 384993690 /nfs/dbraw/zinc/99/36/90/384993690.db2.gz PSQQJPWWHGAUQX-AWEZNQCLSA-N 0 3 245.322 2.141 50 0 BEAAHN CC[C@@H](C)[C@](C)(O)CNCc1cccc(O)c1 ZINC000112380237 385047067 /nfs/dbraw/zinc/04/70/67/385047067.db2.gz KFMBWTSJYKVGBI-BXUZGUMPSA-N 0 3 237.343 2.279 50 0 BEAAHN CCc1nocc1CN[C@@H](C)[C@H]1CCCOC1 ZINC000408524199 385214376 /nfs/dbraw/zinc/21/43/76/385214376.db2.gz RDKNCVQBTDRIRQ-QWRGUYRKSA-N 0 3 238.331 2.142 50 0 BEAAHN O=C1C[C@@H](c2ccccc2)NCCCCCN1 ZINC000257177817 385246193 /nfs/dbraw/zinc/24/61/93/385246193.db2.gz FIXAPWNRQSTEKQ-ZDUSSCGKSA-N 0 3 232.327 2.008 50 0 BEAAHN CN(CCCn1cccn1)Cc1ccsc1 ZINC000065410193 385306000 /nfs/dbraw/zinc/30/60/00/385306000.db2.gz VEPCIZXJKRAPEB-UHFFFAOYSA-N 0 3 235.356 2.467 50 0 BEAAHN CSc1ccc(CN(C)CCN(C)C)cc1 ZINC000022455129 385283340 /nfs/dbraw/zinc/28/33/40/385283340.db2.gz AYUZHKUFJJCNTC-UHFFFAOYSA-N 0 3 238.400 2.402 50 0 BEAAHN CN(C)C(=O)CN(C)CCC1CCCCCC1 ZINC000225418480 386194010 /nfs/dbraw/zinc/19/40/10/386194010.db2.gz JMTQWDOZDNUSDB-UHFFFAOYSA-N 0 3 240.391 2.367 50 0 BEAAHN C([C@H]1CCCCO1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000336715240 386433818 /nfs/dbraw/zinc/43/38/18/386433818.db2.gz ULJHWRYZHASEAS-HZSPNIEDSA-N 0 3 239.359 2.199 50 0 BEAAHN Cc1ccc(OC[C@H](O)CN2CCCC2)c(C)c1 ZINC000046344913 386577520 /nfs/dbraw/zinc/57/75/20/386577520.db2.gz HMXWEHMRCLHVGB-CQSZACIVSA-N 0 3 249.354 2.139 50 0 BEAAHN C[C@H](CC[S@](C)=O)NCc1ccc(F)cc1 ZINC000075110424 386824545 /nfs/dbraw/zinc/82/45/45/386824545.db2.gz UVLBVMLALWUWDL-QLJPJBMISA-N 0 3 243.347 2.072 50 0 BEAAHN C[C@H](NCc1ccccn1)[C@H](O)c1ccccc1 ZINC000019872451 386843789 /nfs/dbraw/zinc/84/37/89/386843789.db2.gz KFRCHOMNEXGBGX-WFASDCNBSA-N 0 3 242.322 2.293 50 0 BEAAHN C[C@H](NCc1ccco1)[C@H](O)c1ccccc1 ZINC000019872292 386843849 /nfs/dbraw/zinc/84/38/49/386843849.db2.gz MUJKBFXRGFRWQR-FZMZJTMJSA-N 0 3 231.295 2.491 50 0 BEAAHN C[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000074707319 387019052 /nfs/dbraw/zinc/01/90/52/387019052.db2.gz AHNXAAZQEXAZBZ-GFCCVEGCSA-N 0 3 246.354 2.206 50 0 BEAAHN CN(Cc1cccnc1)C[C@@H](O)c1ccccc1 ZINC000037485756 387258715 /nfs/dbraw/zinc/25/87/15/387258715.db2.gz HRNXXTJKDNNJJD-OAHLLOKOSA-N 0 3 242.322 2.247 50 0 BEAAHN CCOC(=O)C[C@H](N)c1ccc(F)c(C)c1 ZINC000044195807 387273807 /nfs/dbraw/zinc/27/38/07/387273807.db2.gz FYZABGSWFQMFKB-NSHDSACASA-N 0 3 225.263 2.087 50 0 BEAAHN Cc1cc(CN(C)C[C@@H]2CCCOC2)ccn1 ZINC000527534680 387627425 /nfs/dbraw/zinc/62/74/25/387627425.db2.gz OVRZOEWZBIHKSI-AWEZNQCLSA-N 0 3 234.343 2.248 50 0 BEAAHN Cc1nc(-c2ccc([C@@H](C)N(C)C)cc2)nn1C ZINC000426477844 387573565 /nfs/dbraw/zinc/57/35/65/387573565.db2.gz DTHYZDYHRYGJLY-SNVBAGLBSA-N 0 3 244.342 2.413 50 0 BEAAHN CC(C)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000065541016 388085304 /nfs/dbraw/zinc/08/53/04/388085304.db2.gz MVBKMDKUXHQKCV-UHFFFAOYSA-N 0 3 246.354 2.243 50 0 BEAAHN Cc1nc([C@H]2CCCN(Cc3ccco3)C2)n[nH]1 ZINC000065286724 388255367 /nfs/dbraw/zinc/25/53/67/388255367.db2.gz OBYBBONITJSKEB-NSHDSACASA-N 0 3 246.314 2.086 50 0 BEAAHN Cc1n[nH]c([C@H]2CCCN(Cc3ccco3)C2)n1 ZINC000065286724 388255370 /nfs/dbraw/zinc/25/53/70/388255370.db2.gz OBYBBONITJSKEB-NSHDSACASA-N 0 3 246.314 2.086 50 0 BEAAHN Cc1nnc([C@H]2CCCN(Cc3ccco3)C2)[nH]1 ZINC000065286724 388255371 /nfs/dbraw/zinc/25/53/71/388255371.db2.gz OBYBBONITJSKEB-NSHDSACASA-N 0 3 246.314 2.086 50 0 BEAAHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccco2)C1(C)C ZINC000170065391 388257695 /nfs/dbraw/zinc/25/76/95/388257695.db2.gz ZJCUTXLXUUMOQV-ZMLRMANQSA-N 0 3 223.316 2.429 50 0 BEAAHN CCc1ccc(CN[C@@H](C)[C@H](C)OC)o1 ZINC000170087966 388258236 /nfs/dbraw/zinc/25/82/36/388258236.db2.gz OCGSHIHBVDZASK-UWVGGRQHSA-N 0 3 211.305 2.355 50 0 BEAAHN CCCC1(CNCc2ncc[nH]2)CCC1 ZINC000089949907 388374949 /nfs/dbraw/zinc/37/49/49/388374949.db2.gz RDAYNXHBQRMWOG-UHFFFAOYSA-N 0 3 207.321 2.470 50 0 BEAAHN C[C@H](Cc1ccsc1)Nc1cc(CN)ncn1 ZINC000067434680 388406196 /nfs/dbraw/zinc/40/61/96/388406196.db2.gz WHRUAULSKHHGHZ-SECBINFHSA-N 0 3 248.355 2.040 50 0 BEAAHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccccn1 ZINC000076325326 388397362 /nfs/dbraw/zinc/39/73/62/388397362.db2.gz KYZZETHYMGFHOY-UONOGXRCSA-N 0 3 234.343 2.207 50 0 BEAAHN C[C@@H](C1CC1)N(C)CC(=O)N1CCCCCC1 ZINC000071836710 388446589 /nfs/dbraw/zinc/44/65/89/388446589.db2.gz UUVRIJBBUAPFMH-LBPRGKRZSA-N 0 3 238.375 2.119 50 0 BEAAHN CCC(CC)C(=O)N[C@@H]1CCN(C(C)C)C1 ZINC000069811682 388427067 /nfs/dbraw/zinc/42/70/67/388427067.db2.gz WZORVCGEVKVABZ-GFCCVEGCSA-N 0 3 226.364 2.022 50 0 BEAAHN CC[C@](C)(CO)NCc1cccc(F)c1F ZINC000070710338 388439235 /nfs/dbraw/zinc/43/92/35/388439235.db2.gz MIPQPNVWFWOLHT-GFCCVEGCSA-N 0 3 229.270 2.215 50 0 BEAAHN Cc1ccc(CN2CCC[C@@H]2Cn2ccnc2)o1 ZINC000195573469 388494621 /nfs/dbraw/zinc/49/46/21/388494621.db2.gz NCNYSLJOXAYNIJ-CYBMUJFWSA-N 0 3 245.326 2.449 50 0 BEAAHN Cc1cc(CN)cc(NC(=O)[C@H](C)C2CC2)c1 ZINC000322414558 388596571 /nfs/dbraw/zinc/59/65/71/388596571.db2.gz 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CCCN1CCC[C@@H](Nc2ncnc(C)c2C)C1 ZINC000091550575 169194682 /nfs/dbraw/zinc/19/46/82/169194682.db2.gz KIBKUEYLSDKLJJ-CYBMUJFWSA-N 0 3 248.374 2.380 50 0 BEAAHN CCCNCC(=O)Nc1ccc2c(c1)CCC2 ZINC000002647471 169255767 /nfs/dbraw/zinc/25/57/67/169255767.db2.gz PJMIJHVDMGDATN-UHFFFAOYSA-N 0 3 232.327 2.113 50 0 BEAAHN c1cc(CN2CCCC2)cc2c1OCO2 ZINC000023281904 183368053 /nfs/dbraw/zinc/36/80/53/183368053.db2.gz HZYWHMJSXOXOMA-UHFFFAOYSA-N 0 3 205.257 2.011 50 0 BEAAHN c1cc(CN2CCCCC2)cc2c1OCO2 ZINC000004988776 183368387 /nfs/dbraw/zinc/36/83/87/183368387.db2.gz CQSIEALSZIRMDT-UHFFFAOYSA-N 0 3 219.284 2.401 50 0 BEAAHN CCCN[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000006787948 169284788 /nfs/dbraw/zinc/28/47/88/169284788.db2.gz AYWSWASKUCRDBI-SNVBAGLBSA-N 0 3 248.326 2.216 50 0 BEAAHN c1ccc(CCNCc2ccccn2)cc1 ZINC000019371400 183394216 /nfs/dbraw/zinc/39/42/16/183394216.db2.gz BPCVSTFLDMPNBX-UHFFFAOYSA-N 0 3 212.296 2.414 50 0 BEAAHN CCC[C@@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000192840705 169367248 /nfs/dbraw/zinc/36/72/48/169367248.db2.gz RTBKYLHKYAJIAL-GFCCVEGCSA-N 0 3 236.363 2.029 50 0 BEAAHN CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CC(C)C ZINC000065961574 169368939 /nfs/dbraw/zinc/36/89/39/169368939.db2.gz IVZCPOVMYHCTIT-VXGBXAGGSA-N 0 3 228.380 2.268 50 0 BEAAHN CCC[C@@H](N)C(=O)N(C)C1CCCCCC1 ZINC000036873463 169386834 /nfs/dbraw/zinc/38/68/34/169386834.db2.gz QHNJRISKEUOURJ-GFCCVEGCSA-N 0 3 226.364 2.295 50 0 BEAAHN CN(C[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000000167457 383838884 /nfs/dbraw/zinc/83/88/84/383838884.db2.gz NKYCUDIAVZBMPB-SECBINFHSA-N 0 3 225.254 2.174 50 0 BEAAHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000037020918 383932618 /nfs/dbraw/zinc/93/26/18/383932618.db2.gz RSAGOSYIIJQOST-RNFRBKRXSA-N 0 3 246.763 2.316 50 0 BEAAHN CC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000037020917 383932715 /nfs/dbraw/zinc/93/27/15/383932715.db2.gz RSAGOSYIIJQOST-RQJHMYQMSA-N 0 3 246.763 2.316 50 0 BEAAHN CCOCCN[C@H]1CCc2ccccc21 ZINC000036229051 383890887 /nfs/dbraw/zinc/89/08/87/383890887.db2.gz ZMGGTJQHNFMWHA-ZDUSSCGKSA-N 0 3 205.301 2.300 50 0 BEAAHN CC(C)[C@H](C(=O)NCCN(C)C)c1ccccc1 ZINC000001900175 383941743 /nfs/dbraw/zinc/94/17/43/383941743.db2.gz BVSYVNIQWHRVIB-AWEZNQCLSA-N 0 3 248.370 2.104 50 0 BEAAHN C1C[C@H]2CC[C@H](N3CCOCC3)[C@@H](C1)C2 ZINC000071773197 384001102 /nfs/dbraw/zinc/00/11/02/384001102.db2.gz SIMHYFXRHABFAU-AVGNSLFASA-N 0 3 209.333 2.287 50 0 BEAAHN O=C1C[C@H](c2ccccc2)NCCCCCCN1 ZINC000257192032 384121327 /nfs/dbraw/zinc/12/13/27/384121327.db2.gz QEPQVPBBXKMHAU-CQSZACIVSA-N 0 3 246.354 2.398 50 0 BEAAHN CC[C@H](COC)NCc1ccccc1F ZINC000070623690 384123760 /nfs/dbraw/zinc/12/37/60/384123760.db2.gz RSDRGOKHZQKOST-LLVKDONJSA-N 0 3 211.280 2.340 50 0 BEAAHN CC[C@@H](COC)NCc1ccc(F)cc1 ZINC000070623683 384124326 /nfs/dbraw/zinc/12/43/26/384124326.db2.gz QHYRPEFSPGOCIR-LBPRGKRZSA-N 0 3 211.280 2.340 50 0 BEAAHN CO[C@@H]1CCCN(Cc2cccs2)C1 ZINC000091772851 384144077 /nfs/dbraw/zinc/14/40/77/384144077.db2.gz KQTTXNMQEDIVCX-SNVBAGLBSA-N 0 3 211.330 2.359 50 0 BEAAHN Cc1ncccc1CN1CCCSCC1 ZINC000097375232 384177588 /nfs/dbraw/zinc/17/75/88/384177588.db2.gz PMEWKOXXPWOUHJ-UHFFFAOYSA-N 0 3 222.357 2.329 50 0 BEAAHN CC[C@@H](CO)NCc1cccc(Cl)c1 ZINC000008326376 384199727 /nfs/dbraw/zinc/19/97/27/384199727.db2.gz JCQORVWFVNIMAI-NSHDSACASA-N 0 3 213.708 2.201 50 0 BEAAHN CCc1ccc(OC2CNC2)c(Cl)c1 ZINC000042769629 384240297 /nfs/dbraw/zinc/24/02/97/384240297.db2.gz NOLPJUPBMMQPRR-UHFFFAOYSA-N 0 3 211.692 2.253 50 0 BEAAHN C[C@H](NCc1cccc(F)n1)[C@H]1CCCOC1 ZINC000408513935 384264677 /nfs/dbraw/zinc/26/46/77/384264677.db2.gz ZVSVJZQFJRDOGY-QWRGUYRKSA-N 0 3 238.306 2.125 50 0 BEAAHN Cc1noc(C)c1CN[C@@H]1CCCSC1 ZINC000075153014 384320249 /nfs/dbraw/zinc/32/02/49/384320249.db2.gz WOBACIKNXYVYTD-SNVBAGLBSA-N 0 3 226.345 2.277 50 0 BEAAHN CCc1nocc1CN[C@@H](C)[C@@H]1CCCOC1 ZINC000408524200 384289251 /nfs/dbraw/zinc/28/92/51/384289251.db2.gz RDKNCVQBTDRIRQ-WDEREUQCSA-N 0 3 238.331 2.142 50 0 BEAAHN C[C@@H](N[C@](C)(CO)C1CC1)c1ccco1 ZINC000097045733 384302279 /nfs/dbraw/zinc/30/22/79/384302279.db2.gz IEXVTNOINUVLHD-BXKDBHETSA-N 0 3 209.289 2.091 50 0 BEAAHN C[C@]1(NCC2OCCO2)CCCc2ccccc21 ZINC000097045804 384303155 /nfs/dbraw/zinc/30/31/55/384303155.db2.gz YMKWNDYMUXEVHR-HNNXBMFYSA-N 0 3 247.338 2.201 50 0 BEAAHN Nc1cc(Cl)c2c(c1Cl)CNCC2 ZINC000095743409 384391916 /nfs/dbraw/zinc/39/19/16/384391916.db2.gz ISCJYBRPWMKYDW-UHFFFAOYSA-N 0 3 217.099 2.221 50 0 BEAAHN C/C=C(\C)CN[C@H]1CC(=O)N(CC(C)(C)C)C1 ZINC000015070326 384417509 /nfs/dbraw/zinc/41/75/09/384417509.db2.gz DLGIDEXMDSOLAR-BCMYLCSRSA-N 0 3 238.375 2.189 50 0 BEAAHN FC(F)(F)CCNCCC(F)(F)F ZINC000016082628 384450757 /nfs/dbraw/zinc/45/07/57/384450757.db2.gz BCJXLCSPWYKZAE-UHFFFAOYSA-N 0 3 209.133 2.481 50 0 BEAAHN CCc1ccc([C@H](C)N[C@@H](C)CC(N)=O)cc1 ZINC000078739051 384459820 /nfs/dbraw/zinc/45/98/20/384459820.db2.gz ZQARJYZAXJBHMC-QWRGUYRKSA-N 0 3 234.343 2.164 50 0 BEAAHN CCN(CC)CC(=O)N(CC)C1CCCC1 ZINC000097286879 384491640 /nfs/dbraw/zinc/49/16/40/384491640.db2.gz OJNISGCFNWWRNK-UHFFFAOYSA-N 0 3 226.364 2.119 50 0 BEAAHN c1cncc(CN2CCN(C3CCCC3)CC2)c1 ZINC000019789302 384538273 /nfs/dbraw/zinc/53/82/73/384538273.db2.gz FOPIMPBWHRDVNO-UHFFFAOYSA-N 0 3 245.370 2.142 50 0 BEAAHN CC[C@H](O)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000097033035 384540597 /nfs/dbraw/zinc/54/05/97/384540597.db2.gz DMEPGCHETNRYHJ-KOLCDFICSA-N 0 3 241.306 2.256 50 0 BEAAHN COC[C@H](C)NCCOc1ccccc1Cl ZINC000049799885 384567747 /nfs/dbraw/zinc/56/77/47/384567747.db2.gz VGMXZOCYZZUHPM-JTQLQIEISA-N 0 3 243.734 2.343 50 0 BEAAHN CN[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000020283642 384610261 /nfs/dbraw/zinc/61/02/61/384610261.db2.gz ZBQMTJZQSAUXMK-NXEZZACHSA-N 0 3 232.110 2.171 50 0 BEAAHN CN[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000020283638 384610929 /nfs/dbraw/zinc/61/09/29/384610929.db2.gz ZBQMTJZQSAUXMK-ZJUUUORDSA-N 0 3 232.110 2.171 50 0 BEAAHN C[C@@H](N[C@@](C)(CO)C1CC1)c1ccco1 ZINC000097045731 384598066 /nfs/dbraw/zinc/59/80/66/384598066.db2.gz IEXVTNOINUVLHD-SKDRFNHKSA-N 0 3 209.289 2.091 50 0 BEAAHN CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000082062500 384644462 /nfs/dbraw/zinc/64/44/62/384644462.db2.gz QBAGWFZYAAHGQL-CYBMUJFWSA-N 0 3 205.301 2.297 50 0 BEAAHN c1ccc2oc(N[C@@H]3CCN(C4CC4)C3)nc2c1 ZINC000044411827 384681839 /nfs/dbraw/zinc/68/18/39/384681839.db2.gz GOEGHMKQUMFJAG-SNVBAGLBSA-N 0 3 243.310 2.476 50 0 BEAAHN NCc1cc2cc(Br)ccc2[nH]1 ZINC000082452141 384682538 /nfs/dbraw/zinc/68/25/38/384682538.db2.gz RDXURUGZGUGFNH-UHFFFAOYSA-N 0 3 225.089 2.389 50 0 BEAAHN NCc1ccnc(Oc2ccccc2)c1 ZINC000022174930 384742609 /nfs/dbraw/zinc/74/26/09/384742609.db2.gz PJFOUMAUWJEBRT-UHFFFAOYSA-N 0 3 200.241 2.333 50 0 BEAAHN NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000022212839 384744353 /nfs/dbraw/zinc/74/43/53/384744353.db2.gz VQTISCPGKVTBMU-UHFFFAOYSA-N 0 3 218.231 2.472 50 0 BEAAHN CC(C)c1ccc(CN[C@@H](C)CC(N)=O)cc1 ZINC000084625120 384763065 /nfs/dbraw/zinc/76/30/65/384763065.db2.gz NGDILOQMYJSJGD-NSHDSACASA-N 0 3 234.343 2.164 50 0 BEAAHN COC[C@H](C)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000053196616 384772043 /nfs/dbraw/zinc/77/20/43/384772043.db2.gz FBPVWNYWJVFWDM-NSHDSACASA-N 0 3 245.326 2.201 50 0 BEAAHN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1CN(C)C ZINC000024809716 384834040 /nfs/dbraw/zinc/83/40/40/384834040.db2.gz JWAIKRXJJRYWQJ-ZYHUDNBSSA-N 0 3 232.327 2.343 50 0 BEAAHN C[C@@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000119180876 384869900 /nfs/dbraw/zinc/86/99/00/384869900.db2.gz LSAGMIMILQOJFJ-LLVKDONJSA-N 0 3 232.327 2.167 50 0 BEAAHN C[C@H](CCn1cncn1)N[C@@H](C)c1ccco1 ZINC000095419475 384842943 /nfs/dbraw/zinc/84/29/43/384842943.db2.gz UGGJFTJDZVOQAP-MNOVXSKESA-N 0 3 234.303 2.001 50 0 BEAAHN CC[C@H]1CCCCCN1CCCS(C)(=O)=O ZINC000096417469 385142749 /nfs/dbraw/zinc/14/27/49/385142749.db2.gz IVHRVRWSAMVBAN-LBPRGKRZSA-N 0 3 247.404 2.076 50 0 BEAAHN CC(C)(C)CN(CCCO)Cc1ccncc1 ZINC000096424635 385163199 /nfs/dbraw/zinc/16/31/99/385163199.db2.gz ZHJZGEVYVIKZPH-UHFFFAOYSA-N 0 3 236.359 2.312 50 0 BEAAHN Cc1nc(-c2ccccc2)[nH]c1[C@@H](C)N ZINC000032629004 385175616 /nfs/dbraw/zinc/17/56/16/385175616.db2.gz VFQNHMCRKRBPBK-MRVPVSSYSA-N 0 3 201.273 2.405 50 0 BEAAHN CN(Cc1ccncc1)[C@@H]1CCSC1 ZINC000096485544 385223655 /nfs/dbraw/zinc/22/36/55/385223655.db2.gz VZJLOXREWQLJST-LLVKDONJSA-N 0 3 208.330 2.019 50 0 BEAAHN CN(Cc1ccncc1)[C@H]1CCSC1 ZINC000096485545 385223717 /nfs/dbraw/zinc/22/37/17/385223717.db2.gz VZJLOXREWQLJST-NSHDSACASA-N 0 3 208.330 2.019 50 0 BEAAHN CC1(C)C[C@H](O)CCN(Cc2cncs2)C1 ZINC000294706164 385274631 /nfs/dbraw/zinc/27/46/31/385274631.db2.gz BDWOXQWIFDKXBG-SNVBAGLBSA-N 0 3 240.372 2.126 50 0 BEAAHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCSC2)n1 ZINC000098018520 385358242 /nfs/dbraw/zinc/35/82/42/385358242.db2.gz RLDMBGUYOJELSQ-JTQLQIEISA-N 0 3 238.356 2.081 50 0 BEAAHN Cn1cnc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000225678349 386210984 /nfs/dbraw/zinc/21/09/84/386210984.db2.gz IUQBEXLAQRMEDP-AAEUAGOBSA-N 0 3 219.332 2.185 50 0 BEAAHN Cc1ccc(CN[C@@H](CO)Cc2ccccc2)o1 ZINC000063218128 386402878 /nfs/dbraw/zinc/40/28/78/386402878.db2.gz MHVAAZHMKCEZDJ-CQSZACIVSA-N 0 3 245.322 2.281 50 0 BEAAHN c1n[nH]cc1[C@H]1CCCN1CCc1ccncc1 ZINC000585116246 386672354 /nfs/dbraw/zinc/67/23/54/386672354.db2.gz NHTWSGFRWHYXQG-CQSZACIVSA-N 0 3 242.326 2.184 50 0 BEAAHN Cc1cc(Br)c2c(c1)CCNC2 ZINC000129772774 387158122 /nfs/dbraw/zinc/15/81/22/387158122.db2.gz HZSJKNBPWCTPHN-UHFFFAOYSA-N 0 3 226.117 2.403 50 0 BEAAHN Cc1n[nH]cc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000094424000 387851044 /nfs/dbraw/zinc/85/10/44/387851044.db2.gz QKIJITJDSRFGLW-NSHDSACASA-N 0 3 237.347 2.154 50 0 BEAAHN C[C@@H](NCCn1cccn1)c1ccccc1F ZINC000042538753 388097502 /nfs/dbraw/zinc/09/75/02/388097502.db2.gz ZOPZWCZZPNENGS-LLVKDONJSA-N 0 3 233.290 2.373 50 0 BEAAHN CC[C@H](N)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000490922693 388347714 /nfs/dbraw/zinc/34/77/14/388347714.db2.gz CWOXBDPYXZRQRR-LBPRGKRZSA-N 0 3 246.310 2.129 50 0 BEAAHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccccn1 ZINC000076325323 388397464 /nfs/dbraw/zinc/39/74/64/388397464.db2.gz KYZZETHYMGFHOY-KBPBESRZSA-N 0 3 234.343 2.207 50 0 BEAAHN Cc1cnn(C[C@H](C)NCc2cccnc2C)c1 ZINC000069569651 388420613 /nfs/dbraw/zinc/42/06/13/388420613.db2.gz XQCDGUFCRJMWCG-LBPRGKRZSA-N 0 3 244.342 2.073 50 0 BEAAHN CS[C@@H]1CCC[C@@H]1N(C)Cc1ccno1 ZINC000110646536 388648455 /nfs/dbraw/zinc/64/84/55/388648455.db2.gz QDLCEWFDBKAZHQ-WDEREUQCSA-N 0 3 226.345 2.391 50 0 BEAAHN C[C@H](NCc1nnc2n1CCCCC2)C1(C)CC1 ZINC000095419396 388767382 /nfs/dbraw/zinc/76/73/82/388767382.db2.gz ZJVMIKAMNHTRJN-NSHDSACASA-N 0 3 248.374 2.283 50 0 BEAAHN CCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000095436472 388770897 /nfs/dbraw/zinc/77/08/97/388770897.db2.gz PGZXYDKAINWLTN-UHFFFAOYSA-N 0 3 248.370 2.423 50 0 BEAAHN CN(CCc1nccs1)CCc1ccccn1 ZINC000095435428 388771377 /nfs/dbraw/zinc/77/13/77/388771377.db2.gz LWWGGBWAHCYIBK-UHFFFAOYSA-N 0 3 247.367 2.255 50 0 BEAAHN C[C@H](C[C@H](O)c1ccco1)NCc1ccncc1 ZINC000095448826 388772674 /nfs/dbraw/zinc/77/26/74/388772674.db2.gz MGKAQXSFFUXOMM-YPMHNXCESA-N 0 3 246.310 2.276 50 0 BEAAHN C[C@H]1CN(c2ccc(Cl)cc2)CCN1 ZINC000039274039 132350899 /nfs/dbraw/zinc/35/08/99/132350899.db2.gz UECHCFXEJKAZEX-VIFPVBQESA-N 0 3 210.708 2.138 50 0 BEAAHN C[C@H]1CNCCN1c1cccc2cnccc21 ZINC000086177104 132427160 /nfs/dbraw/zinc/42/71/60/132427160.db2.gz BDNZUHNXMWLNHX-NSHDSACASA-N 0 3 227.311 2.033 50 0 BEAAHN CNCc1ccc(Oc2cccnc2)o1 ZINC000004277396 397923479 /nfs/dbraw/zinc/92/34/79/397923479.db2.gz MUKCVLFJCGZPKF-UHFFFAOYSA-N 0 3 204.229 2.186 50 0 in-vitro BEAAHN c1ccc2c(c1)NCCC[C@H]2N[C@@H]1CCOC1 ZINC000193045359 398084821 /nfs/dbraw/zinc/08/48/21/398084821.db2.gz RCWJTVSAXZGDOR-BXUZGUMPSA-N 0 3 232.327 2.312 50 0 BEAAHN CSc1ccc(CN(C)C[C@H](C)O)cc1 ZINC000051821359 398105795 /nfs/dbraw/zinc/10/57/95/398105795.db2.gz YCQZNHLQCWETEC-JTQLQIEISA-N 0 3 225.357 2.221 50 0 BEAAHN Clc1ccc(-c2nc3c([nH]2)CNCC3)cc1 ZINC000075170083 398125029 /nfs/dbraw/zinc/12/50/29/398125029.db2.gz LZHMUYNXBLZPJK-UHFFFAOYSA-N 0 3 233.702 2.376 50 0 BEAAHN CCCCN(C(=O)CN)[C@@H](C)c1ccccc1 ZINC000076617195 410521436 /nfs/dbraw/zinc/52/14/36/410521436.db2.gz 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